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 289 HIS : no HE2:sc= -2.12! K(o=-2.2!,f=-4.5) USER MOD Set 1.2: A 338 HIS : no HD1:sc= -0.17 X(o=-2.2,f=-2.6) USER MOD Set 1.3: A 363 SER OG : rot 80:sc= 0.0483 USER MOD Set 2.1: A 353 GLN : amide:sc= -0.158 X(o=-0.35,f=-0.24) USER MOD Set 2.2: A 354 HIS : no HD1:sc= -0.192 X(o=-0.35,f=-0.55) USER MOD Set 3.1: A 301 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 303 ASN : amide:sc= -2.85! K(o=-2.8!,f=0.59) USER MOD Single : A 290 CYS SG : rot 180:sc= -0.492 USER MOD Single : A 292 HIS : no HE2:sc= -0.81 X(o=-0.81,f=-0.93) USER MOD Single : A 293 MET CE :methyl 160:sc= -0.923 (180deg=-1.24) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 ASN : amide:sc= 0.463 K(o=0.46,f=-0.37) USER MOD Single : A 310 SER OG : rot 157:sc= -0.689 USER MOD Single : A 313 ASN : amide:sc= -0.0153 K(o=-0.015,f=-0.76) USER MOD Single : A 318 HIS : no HD1:sc= -0.794 X(o=-0.79,f=-0.6) USER MOD Single : A 337 THR OG1 : rot -8:sc= 0.923 USER MOD Single : A 345 MET CE :methyl 157:sc= -1.66 (180deg=-2.86!) USER MOD Single : A 346 SER OG : rot 180:sc= 0 USER MOD Single : A 347 LYS NZ :NH3+ 160:sc= 1.48 (180deg=0.955) USER MOD Single : A 351 ASN : amide:sc= 0.153 K(o=0.15,f=-3.4!) USER MOD Single : A 352 MET CE :methyl 146:sc= -0.0927 (180deg=-0.74) USER MOD Single : A 356 TYR OH : rot -31:sc= 0.432 USER MOD Single : A 362 ASN : amide:sc= -0.521 X(o=-0.52,f=-0.71) USER MOD Single : A 364 THR OG1 : rot 12:sc= 0.246 USER MOD Single : A 365 THR OG1 : rot -46:sc= 0.605 USER MOD ----------------------------------------------------------------- ATOM 159 N HIS A 289 -4.687 5.157 -5.821 1.00 0.00 N ATOM 160 CA HIS A 289 -3.236 5.203 -5.747 1.00 0.00 C ATOM 161 C HIS A 289 -2.787 4.144 -4.745 1.00 0.00 C ATOM 162 O HIS A 289 -3.392 4.021 -3.682 1.00 0.00 O ATOM 163 CB HIS A 289 -2.840 6.618 -5.323 1.00 0.00 C ATOM 164 CG HIS A 289 -3.174 7.637 -6.380 1.00 0.00 C ATOM 165 ND1 HIS A 289 -2.296 8.203 -7.274 1.00 0.00 N ATOM 166 CD2 HIS A 289 -4.407 8.173 -6.633 1.00 0.00 C ATOM 167 CE1 HIS A 289 -2.988 9.061 -8.044 1.00 0.00 C ATOM 168 NE2 HIS A 289 -4.283 9.082 -7.691 1.00 0.00 N ATOM 0 HA HIS A 289 -2.755 4.988 -6.701 1.00 0.00 H new ATOM 0 HB2 HIS A 289 -3.352 6.876 -4.396 1.00 0.00 H new ATOM 0 HB3 HIS A 289 -1.770 6.648 -5.115 1.00 0.00 H new ATOM 0 HD1 HIS A 289 -1.297 8.007 -7.341 1.00 0.00 H new ATOM 0 HD2 HIS A 289 -5.320 7.936 -6.107 1.00 0.00 H new ATOM 0 HE1 HIS A 289 -2.560 9.653 -8.839 1.00 0.00 H new ATOM 176 N CYS A 290 -1.738 3.374 -5.058 1.00 0.00 N ATOM 177 CA CYS A 290 -1.425 2.211 -4.244 1.00 0.00 C ATOM 178 C CYS A 290 0.052 2.102 -3.885 1.00 0.00 C ATOM 179 O CYS A 290 0.908 2.806 -4.418 1.00 0.00 O ATOM 180 CB CYS A 290 -1.875 0.954 -4.991 1.00 0.00 C ATOM 181 SG CYS A 290 -3.669 0.993 -5.233 1.00 0.00 S ATOM 0 H CYS A 290 -1.112 3.534 -5.847 1.00 0.00 H new ATOM 0 HA CYS A 290 -1.959 2.319 -3.300 1.00 0.00 H new ATOM 0 HB2 CYS A 290 -1.370 0.893 -5.955 1.00 0.00 H new ATOM 0 HB3 CYS A 290 -1.594 0.065 -4.427 1.00 0.00 H new ATOM 0 HG CYS A 290 -4.044 -0.076 -5.870 1.00 0.00 H new ATOM 187 N VAL A 291 0.315 1.186 -2.954 1.00 0.00 N ATOM 188 CA VAL A 291 1.628 0.811 -2.453 1.00 0.00 C ATOM 189 C VAL A 291 1.476 -0.636 -1.979 1.00 0.00 C ATOM 190 O VAL A 291 0.352 -1.096 -1.781 1.00 0.00 O ATOM 191 CB VAL A 291 2.023 1.742 -1.290 1.00 0.00 C ATOM 192 CG1 VAL A 291 3.394 1.406 -0.710 1.00 0.00 C ATOM 193 CG2 VAL A 291 2.078 3.206 -1.724 1.00 0.00 C ATOM 0 H VAL A 291 -0.432 0.656 -2.505 1.00 0.00 H new ATOM 0 HA VAL A 291 2.410 0.899 -3.208 1.00 0.00 H new ATOM 0 HB VAL A 291 1.249 1.589 -0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 291 3.622 2.092 0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 291 3.389 0.383 -0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 291 4.152 1.502 -1.488 1.00 0.00 H new ATOM 0 HG21 VAL A 291 2.360 3.827 -0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 291 2.815 3.322 -2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 291 1.098 3.514 -2.089 1.00 0.00 H new ATOM 203 N HIS A 292 2.574 -1.369 -1.789 1.00 0.00 N ATOM 204 CA HIS A 292 2.486 -2.720 -1.255 1.00 0.00 C ATOM 205 C HIS A 292 3.522 -2.924 -0.167 1.00 0.00 C ATOM 206 O HIS A 292 4.458 -2.139 -0.048 1.00 0.00 O ATOM 207 CB HIS A 292 2.631 -3.768 -2.359 1.00 0.00 C ATOM 208 CG HIS A 292 3.959 -3.762 -3.066 1.00 0.00 C ATOM 209 ND1 HIS A 292 4.288 -3.038 -4.188 1.00 0.00 N ATOM 210 CD2 HIS A 292 5.066 -4.488 -2.715 1.00 0.00 C ATOM 211 CE1 HIS A 292 5.561 -3.333 -4.508 1.00 0.00 C ATOM 212 NE2 HIS A 292 6.083 -4.216 -3.639 1.00 0.00 N ATOM 0 H HIS A 292 3.521 -1.051 -1.995 1.00 0.00 H new ATOM 0 HA HIS A 292 1.496 -2.848 -0.817 1.00 0.00 H new ATOM 0 HB2 HIS A 292 2.470 -4.755 -1.926 1.00 0.00 H new ATOM 0 HB3 HIS A 292 1.843 -3.611 -3.095 1.00 0.00 H new ATOM 0 HD1 HIS A 292 3.676 -2.393 -4.688 1.00 0.00 H new ATOM 0 HD2 HIS A 292 5.142 -5.156 -1.870 1.00 0.00 H new ATOM 0 HE1 HIS A 292 6.093 -2.916 -5.351 1.00 0.00 H new ATOM 220 N MET A 293 3.351 -3.982 0.627 1.00 0.00 N ATOM 221 CA MET A 293 4.208 -4.216 1.772 1.00 0.00 C ATOM 222 C MET A 293 4.396 -5.709 2.030 1.00 0.00 C ATOM 223 O MET A 293 3.652 -6.540 1.509 1.00 0.00 O ATOM 224 CB MET A 293 3.614 -3.464 2.970 1.00 0.00 C ATOM 225 CG MET A 293 2.392 -4.150 3.576 1.00 0.00 C ATOM 226 SD MET A 293 2.770 -5.526 4.694 1.00 0.00 S ATOM 227 CE MET A 293 3.694 -4.632 5.972 1.00 0.00 C ATOM 0 H MET A 293 2.625 -4.686 0.492 1.00 0.00 H new ATOM 0 HA MET A 293 5.211 -3.833 1.585 1.00 0.00 H new ATOM 0 HB2 MET A 293 4.380 -3.359 3.738 1.00 0.00 H new ATOM 0 HB3 MET A 293 3.337 -2.458 2.656 1.00 0.00 H new ATOM 0 HG2 MET A 293 1.809 -3.408 4.120 1.00 0.00 H new ATOM 0 HG3 MET A 293 1.762 -4.520 2.767 1.00 0.00 H new ATOM 0 HE1 MET A 293 3.701 -5.217 6.892 1.00 0.00 H new ATOM 0 HE2 MET A 293 4.718 -4.472 5.636 1.00 0.00 H new ATOM 0 HE3 MET A 293 3.219 -3.669 6.158 1.00 0.00 H new ATOM 237 N ARG A 294 5.405 -6.038 2.842 1.00 0.00 N ATOM 238 CA ARG A 294 5.793 -7.409 3.138 1.00 0.00 C ATOM 239 C ARG A 294 6.339 -7.508 4.559 1.00 0.00 C ATOM 240 O ARG A 294 6.652 -6.492 5.176 1.00 0.00 O ATOM 241 CB ARG A 294 6.893 -7.835 2.159 1.00 0.00 C ATOM 242 CG ARG A 294 6.399 -7.965 0.719 1.00 0.00 C ATOM 243 CD ARG A 294 7.543 -8.503 -0.144 1.00 0.00 C ATOM 244 NE ARG A 294 7.087 -8.821 -1.501 1.00 0.00 N ATOM 245 CZ ARG A 294 7.157 -7.991 -2.544 1.00 0.00 C ATOM 246 NH1 ARG A 294 7.679 -6.773 -2.419 1.00 0.00 N ATOM 247 NH2 ARG A 294 6.695 -8.385 -3.728 1.00 0.00 N ATOM 0 H ARG A 294 5.981 -5.343 3.317 1.00 0.00 H new ATOM 0 HA ARG A 294 4.921 -8.055 3.042 1.00 0.00 H new ATOM 0 HB2 ARG A 294 7.704 -7.107 2.194 1.00 0.00 H new ATOM 0 HB3 ARG A 294 7.308 -8.790 2.482 1.00 0.00 H new ATOM 0 HG2 ARG A 294 5.542 -8.637 0.672 1.00 0.00 H new ATOM 0 HG3 ARG A 294 6.066 -6.997 0.345 1.00 0.00 H new ATOM 0 HD2 ARG A 294 8.343 -7.764 -0.191 1.00 0.00 H new ATOM 0 HD3 ARG A 294 7.961 -9.397 0.320 1.00 0.00 H new ATOM 0 HE ARG A 294 6.686 -9.746 -1.660 1.00 0.00 H new ATOM 0 HH11 ARG A 294 8.034 -6.460 -1.515 1.00 0.00 H new ATOM 0 HH12 ARG A 294 7.724 -6.152 -3.227 1.00 0.00 H new ATOM 0 HH21 ARG A 294 6.291 -9.316 -3.834 1.00 0.00 H new ATOM 0 HH22 ARG A 294 6.745 -7.756 -4.530 1.00 0.00 H new ATOM 261 N GLY A 295 6.453 -8.736 5.075 1.00 0.00 N ATOM 262 CA GLY A 295 7.007 -8.979 6.401 1.00 0.00 C ATOM 263 C GLY A 295 5.995 -9.493 7.426 1.00 0.00 C ATOM 264 O GLY A 295 6.385 -9.790 8.553 1.00 0.00 O ATOM 0 H GLY A 295 6.164 -9.582 4.584 1.00 0.00 H new ATOM 0 HA2 GLY A 295 7.818 -9.702 6.315 1.00 0.00 H new ATOM 0 HA3 GLY A 295 7.444 -8.053 6.774 1.00 0.00 H new ATOM 268 N LEU A 296 4.708 -9.606 7.072 1.00 0.00 N ATOM 269 CA LEU A 296 3.683 -9.950 8.053 1.00 0.00 C ATOM 270 C LEU A 296 3.260 -11.425 8.101 1.00 0.00 C ATOM 271 O LEU A 296 3.204 -11.943 9.208 1.00 0.00 O ATOM 272 CB LEU A 296 2.432 -9.101 7.812 1.00 0.00 C ATOM 273 CG LEU A 296 2.714 -7.601 7.735 1.00 0.00 C ATOM 274 CD1 LEU A 296 1.388 -6.878 7.522 1.00 0.00 C ATOM 275 CD2 LEU A 296 3.354 -7.060 9.011 1.00 0.00 C ATOM 0 H LEU A 296 4.359 -9.465 6.124 1.00 0.00 H new ATOM 0 HA LEU A 296 4.154 -9.744 9.014 1.00 0.00 H new ATOM 0 HB2 LEU A 296 1.960 -9.421 6.883 1.00 0.00 H new ATOM 0 HB3 LEU A 296 1.717 -9.287 8.614 1.00 0.00 H new ATOM 0 HG LEU A 296 3.412 -7.433 6.914 1.00 0.00 H new ATOM 0 HD11 LEU A 296 1.564 -5.804 7.464 1.00 0.00 H new ATOM 0 HD12 LEU A 296 0.931 -7.222 6.594 1.00 0.00 H new ATOM 0 HD13 LEU A 296 0.719 -7.091 8.356 1.00 0.00 H new ATOM 0 HD21 LEU A 296 3.533 -5.990 8.903 1.00 0.00 H new ATOM 0 HD22 LEU A 296 2.686 -7.233 9.855 1.00 0.00 H new ATOM 0 HD23 LEU A 296 4.301 -7.570 9.188 1.00 0.00 H new ATOM 344 N ALA A 300 0.880 -11.017 11.676 1.00 0.00 N ATOM 345 CA ALA A 300 0.185 -9.738 11.597 1.00 0.00 C ATOM 346 C ALA A 300 -0.630 -9.613 10.309 1.00 0.00 C ATOM 347 O ALA A 300 -0.548 -10.469 9.430 1.00 0.00 O ATOM 348 CB ALA A 300 1.229 -8.625 11.691 1.00 0.00 C ATOM 0 HA ALA A 300 -0.525 -9.661 12.420 1.00 0.00 H new ATOM 0 HB1 ALA A 300 0.734 -7.656 11.634 1.00 0.00 H new ATOM 0 HB2 ALA A 300 1.762 -8.705 12.638 1.00 0.00 H new ATOM 0 HB3 ALA A 300 1.937 -8.720 10.867 1.00 0.00 H new ATOM 354 N THR A 301 -1.416 -8.536 10.208 1.00 0.00 N ATOM 355 CA THR A 301 -2.320 -8.307 9.084 1.00 0.00 C ATOM 356 C THR A 301 -2.549 -6.820 8.833 1.00 0.00 C ATOM 357 O THR A 301 -2.009 -5.953 9.520 1.00 0.00 O ATOM 358 CB THR A 301 -3.684 -8.968 9.339 1.00 0.00 C ATOM 359 OG1 THR A 301 -3.912 -9.183 10.716 1.00 0.00 O ATOM 360 CG2 THR A 301 -3.757 -10.306 8.614 1.00 0.00 C ATOM 0 H THR A 301 -1.440 -7.796 10.910 1.00 0.00 H new ATOM 0 HA THR A 301 -1.844 -8.748 8.208 1.00 0.00 H new ATOM 0 HB THR A 301 -4.450 -8.290 8.963 1.00 0.00 H new ATOM 0 HG1 THR A 301 -4.789 -9.603 10.841 1.00 0.00 H new ATOM 0 HG21 THR A 301 -4.727 -10.768 8.800 1.00 0.00 H new ATOM 0 HG22 THR A 301 -3.630 -10.147 7.543 1.00 0.00 H new ATOM 0 HG23 THR A 301 -2.967 -10.962 8.980 1.00 0.00 H new ATOM 368 N GLU A 302 -3.372 -6.535 7.821 1.00 0.00 N ATOM 369 CA GLU A 302 -3.724 -5.184 7.424 1.00 0.00 C ATOM 370 C GLU A 302 -4.255 -4.347 8.581 1.00 0.00 C ATOM 371 O GLU A 302 -4.149 -3.123 8.548 1.00 0.00 O ATOM 372 CB GLU A 302 -4.742 -5.261 6.289 1.00 0.00 C ATOM 373 CG GLU A 302 -6.146 -5.533 6.819 1.00 0.00 C ATOM 374 CD GLU A 302 -7.098 -5.979 5.710 1.00 0.00 C ATOM 375 OE1 GLU A 302 -7.712 -5.092 5.077 1.00 0.00 O ATOM 376 OE2 GLU A 302 -7.206 -7.209 5.506 1.00 0.00 O ATOM 0 H GLU A 302 -3.816 -7.254 7.250 1.00 0.00 H new ATOM 0 HA GLU A 302 -2.820 -4.679 7.085 1.00 0.00 H new ATOM 0 HB2 GLU A 302 -4.737 -4.325 5.730 1.00 0.00 H new ATOM 0 HB3 GLU A 302 -4.455 -6.049 5.593 1.00 0.00 H new ATOM 0 HG2 GLU A 302 -6.100 -6.303 7.589 1.00 0.00 H new ATOM 0 HG3 GLU A 302 -6.536 -4.632 7.292 1.00 0.00 H new ATOM 383 N ASN A 303 -4.823 -5.005 9.599 1.00 0.00 N ATOM 384 CA ASN A 303 -5.345 -4.346 10.788 1.00 0.00 C ATOM 385 C ASN A 303 -4.292 -3.499 11.503 1.00 0.00 C ATOM 386 O ASN A 303 -4.633 -2.734 12.403 1.00 0.00 O ATOM 387 CB ASN A 303 -5.954 -5.385 11.731 1.00 0.00 C ATOM 388 CG ASN A 303 -4.880 -6.110 12.522 1.00 0.00 C ATOM 389 OD1 ASN A 303 -5.057 -6.425 13.695 1.00 0.00 O ATOM 390 ND2 ASN A 303 -3.750 -6.379 11.875 1.00 0.00 N ATOM 0 H ASN A 303 -4.931 -6.019 9.614 1.00 0.00 H new ATOM 0 HA ASN A 303 -6.123 -3.653 10.467 1.00 0.00 H new ATOM 0 HB2 ASN A 303 -6.645 -4.895 12.417 1.00 0.00 H new ATOM 0 HB3 ASN A 303 -6.534 -6.106 11.155 1.00 0.00 H new ATOM 0 HD21 ASN A 303 -2.991 -6.864 12.354 1.00 0.00 H new ATOM 0 HD22 ASN A 303 -3.642 -6.100 10.900 1.00 0.00 H new ATOM 397 N ASP A 304 -3.019 -3.626 11.110 1.00 0.00 N ATOM 398 CA ASP A 304 -1.965 -2.787 11.651 1.00 0.00 C ATOM 399 C ASP A 304 -1.144 -2.121 10.549 1.00 0.00 C ATOM 400 O ASP A 304 -0.365 -1.211 10.826 1.00 0.00 O ATOM 401 CB ASP A 304 -1.094 -3.623 12.590 1.00 0.00 C ATOM 402 CG ASP A 304 -0.343 -2.751 13.597 1.00 0.00 C ATOM 403 OD1 ASP A 304 -0.986 -1.843 14.168 1.00 0.00 O ATOM 404 OD2 ASP A 304 0.869 -2.998 13.787 1.00 0.00 O ATOM 0 H ASP A 304 -2.702 -4.305 10.418 1.00 0.00 H new ATOM 0 HA ASP A 304 -2.416 -1.973 12.219 1.00 0.00 H new ATOM 0 HB2 ASP A 304 -1.719 -4.339 13.124 1.00 0.00 H new ATOM 0 HB3 ASP A 304 -0.378 -4.200 12.004 1.00 0.00 H new ATOM 409 N ILE A 305 -1.310 -2.561 9.299 1.00 0.00 N ATOM 410 CA ILE A 305 -0.651 -1.915 8.172 1.00 0.00 C ATOM 411 C ILE A 305 -1.068 -0.454 8.078 1.00 0.00 C ATOM 412 O ILE A 305 -0.212 0.430 8.050 1.00 0.00 O ATOM 413 CB ILE A 305 -1.036 -2.633 6.884 1.00 0.00 C ATOM 414 CG1 ILE A 305 -0.399 -4.023 6.887 1.00 0.00 C ATOM 415 CG2 ILE A 305 -0.569 -1.845 5.656 1.00 0.00 C ATOM 416 CD1 ILE A 305 -0.729 -4.752 5.587 1.00 0.00 C ATOM 0 H ILE A 305 -1.893 -3.359 9.047 1.00 0.00 H new ATOM 0 HA ILE A 305 0.428 -1.965 8.319 1.00 0.00 H new ATOM 0 HB ILE A 305 -2.121 -2.718 6.833 1.00 0.00 H new ATOM 0 HG12 ILE A 305 0.682 -3.936 7.001 1.00 0.00 H new ATOM 0 HG13 ILE A 305 -0.764 -4.597 7.738 1.00 0.00 H new ATOM 0 HG21 ILE A 305 -0.856 -2.379 4.750 1.00 0.00 H new ATOM 0 HG22 ILE A 305 -1.033 -0.859 5.658 1.00 0.00 H new ATOM 0 HG23 ILE A 305 0.515 -1.736 5.684 1.00 0.00 H new ATOM 0 HD11 ILE A 305 -0.271 -5.741 5.598 1.00 0.00 H new ATOM 0 HD12 ILE A 305 -1.810 -4.854 5.491 1.00 0.00 H new ATOM 0 HD13 ILE A 305 -0.342 -4.182 4.742 1.00 0.00 H new ATOM 428 N TYR A 306 -2.378 -0.185 8.030 1.00 0.00 N ATOM 429 CA TYR A 306 -2.848 1.191 7.940 1.00 0.00 C ATOM 430 C TYR A 306 -2.654 1.909 9.276 1.00 0.00 C ATOM 431 O TYR A 306 -3.125 3.031 9.455 1.00 0.00 O ATOM 432 CB TYR A 306 -4.292 1.258 7.431 1.00 0.00 C ATOM 433 CG TYR A 306 -5.341 0.656 8.339 1.00 0.00 C ATOM 434 CD1 TYR A 306 -5.940 1.459 9.320 1.00 0.00 C ATOM 435 CD2 TYR A 306 -5.722 -0.688 8.204 1.00 0.00 C ATOM 436 CE1 TYR A 306 -6.926 0.927 10.159 1.00 0.00 C ATOM 437 CE2 TYR A 306 -6.688 -1.237 9.058 1.00 0.00 C ATOM 438 CZ TYR A 306 -7.298 -0.429 10.041 1.00 0.00 C ATOM 439 OH TYR A 306 -8.241 -0.952 10.875 1.00 0.00 O ATOM 0 H TYR A 306 -3.114 -0.891 8.052 1.00 0.00 H new ATOM 0 HA TYR A 306 -2.245 1.719 7.201 1.00 0.00 H new ATOM 0 HB2 TYR A 306 -4.547 2.303 7.256 1.00 0.00 H new ATOM 0 HB3 TYR A 306 -4.341 0.752 6.467 1.00 0.00 H new ATOM 0 HD1 TYR A 306 -5.640 2.491 9.429 1.00 0.00 H new ATOM 0 HD2 TYR A 306 -5.269 -1.301 7.439 1.00 0.00 H new ATOM 0 HE1 TYR A 306 -7.402 1.555 10.897 1.00 0.00 H new ATOM 0 HE2 TYR A 306 -6.965 -2.277 8.964 1.00 0.00 H new ATOM 0 HH TYR A 306 -8.380 -1.898 10.659 1.00 0.00 H new ATOM 449 N ASN A 307 -1.956 1.258 10.215 1.00 0.00 N ATOM 450 CA ASN A 307 -1.648 1.821 11.520 1.00 0.00 C ATOM 451 C ASN A 307 -0.139 1.850 11.783 1.00 0.00 C ATOM 452 O ASN A 307 0.278 2.184 12.890 1.00 0.00 O ATOM 453 CB ASN A 307 -2.393 1.020 12.583 1.00 0.00 C ATOM 454 CG ASN A 307 -3.895 1.209 12.482 1.00 0.00 C ATOM 455 OD1 ASN A 307 -4.384 2.319 12.295 1.00 0.00 O ATOM 456 ND2 ASN A 307 -4.641 0.118 12.605 1.00 0.00 N ATOM 0 H ASN A 307 -1.589 0.316 10.081 1.00 0.00 H new ATOM 0 HA ASN A 307 -1.979 2.859 11.553 1.00 0.00 H new ATOM 0 HB2 ASN A 307 -2.152 -0.038 12.476 1.00 0.00 H new ATOM 0 HB3 ASN A 307 -2.054 1.326 13.573 1.00 0.00 H new ATOM 0 HD21 ASN A 307 -5.657 0.185 12.545 1.00 0.00 H new ATOM 0 HD22 ASN A 307 -4.198 -0.788 12.760 1.00 0.00 H new ATOM 463 N PHE A 308 0.682 1.507 10.781 1.00 0.00 N ATOM 464 CA PHE A 308 2.132 1.652 10.881 1.00 0.00 C ATOM 465 C PHE A 308 2.690 2.468 9.716 1.00 0.00 C ATOM 466 O PHE A 308 3.787 3.014 9.823 1.00 0.00 O ATOM 467 CB PHE A 308 2.804 0.279 10.961 1.00 0.00 C ATOM 468 CG PHE A 308 3.703 -0.058 9.787 1.00 0.00 C ATOM 469 CD1 PHE A 308 3.151 -0.499 8.576 1.00 0.00 C ATOM 470 CD2 PHE A 308 5.095 0.074 9.909 1.00 0.00 C ATOM 471 CE1 PHE A 308 3.988 -0.799 7.491 1.00 0.00 C ATOM 472 CE2 PHE A 308 5.931 -0.233 8.828 1.00 0.00 C ATOM 473 CZ PHE A 308 5.376 -0.658 7.614 1.00 0.00 C ATOM 0 H PHE A 308 0.361 1.126 9.891 1.00 0.00 H new ATOM 0 HA PHE A 308 2.354 2.197 11.799 1.00 0.00 H new ATOM 0 HB2 PHE A 308 3.393 0.231 11.877 1.00 0.00 H new ATOM 0 HB3 PHE A 308 2.030 -0.485 11.039 1.00 0.00 H new ATOM 0 HD1 PHE A 308 2.081 -0.608 8.478 1.00 0.00 H new ATOM 0 HD2 PHE A 308 5.523 0.414 10.840 1.00 0.00 H new ATOM 0 HE1 PHE A 308 3.561 -1.139 6.559 1.00 0.00 H new ATOM 0 HE2 PHE A 308 7.002 -0.142 8.930 1.00 0.00 H new ATOM 0 HZ PHE A 308 6.018 -0.877 6.774 1.00 0.00 H new ATOM 483 N PHE A 309 1.945 2.554 8.610 1.00 0.00 N ATOM 484 CA PHE A 309 2.347 3.344 7.458 1.00 0.00 C ATOM 485 C PHE A 309 2.420 4.824 7.832 1.00 0.00 C ATOM 486 O PHE A 309 3.487 5.433 7.768 1.00 0.00 O ATOM 487 CB PHE A 309 1.308 3.152 6.348 1.00 0.00 C ATOM 488 CG PHE A 309 1.771 2.331 5.168 1.00 0.00 C ATOM 489 CD1 PHE A 309 2.560 2.932 4.182 1.00 0.00 C ATOM 490 CD2 PHE A 309 1.413 0.980 5.048 1.00 0.00 C ATOM 491 CE1 PHE A 309 2.942 2.209 3.049 1.00 0.00 C ATOM 492 CE2 PHE A 309 1.823 0.245 3.926 1.00 0.00 C ATOM 493 CZ PHE A 309 2.571 0.866 2.917 1.00 0.00 C ATOM 0 H PHE A 309 1.051 2.077 8.495 1.00 0.00 H new ATOM 0 HA PHE A 309 3.331 3.019 7.119 1.00 0.00 H new ATOM 0 HB2 PHE A 309 0.426 2.677 6.777 1.00 0.00 H new ATOM 0 HB3 PHE A 309 0.999 4.133 5.988 1.00 0.00 H new ATOM 0 HD1 PHE A 309 2.875 3.959 4.297 1.00 0.00 H new ATOM 0 HD2 PHE A 309 0.823 0.507 5.818 1.00 0.00 H new ATOM 0 HE1 PHE A 309 3.524 2.687 2.275 1.00 0.00 H new ATOM 0 HE2 PHE A 309 1.562 -0.799 3.840 1.00 0.00 H new ATOM 0 HZ PHE A 309 2.861 0.309 2.038 1.00 0.00 H new ATOM 503 N SER A 310 1.276 5.393 8.222 1.00 0.00 N ATOM 504 CA SER A 310 1.126 6.808 8.529 1.00 0.00 C ATOM 505 C SER A 310 -0.292 7.029 9.065 1.00 0.00 C ATOM 506 O SER A 310 -1.161 6.201 8.801 1.00 0.00 O ATOM 507 CB SER A 310 1.363 7.587 7.234 1.00 0.00 C ATOM 508 OG SER A 310 1.389 8.975 7.460 1.00 0.00 O ATOM 0 H SER A 310 0.411 4.865 8.334 1.00 0.00 H new ATOM 0 HA SER A 310 1.837 7.147 9.282 1.00 0.00 H new ATOM 0 HB2 SER A 310 2.307 7.273 6.788 1.00 0.00 H new ATOM 0 HB3 SER A 310 0.577 7.350 6.517 1.00 0.00 H new ATOM 0 HG SER A 310 1.885 9.415 6.738 1.00 0.00 H new ATOM 514 N PRO A 311 -0.558 8.115 9.807 1.00 0.00 N ATOM 515 CA PRO A 311 -1.858 8.416 10.398 1.00 0.00 C ATOM 516 C PRO A 311 -3.068 8.478 9.454 1.00 0.00 C ATOM 517 O PRO A 311 -4.176 8.694 9.943 1.00 0.00 O ATOM 518 CB PRO A 311 -1.685 9.767 11.099 1.00 0.00 C ATOM 519 CG PRO A 311 -0.189 9.833 11.387 1.00 0.00 C ATOM 520 CD PRO A 311 0.399 9.148 10.161 1.00 0.00 C ATOM 0 HA PRO A 311 -2.110 7.582 11.053 1.00 0.00 H new ATOM 0 HB2 PRO A 311 -2.008 10.592 10.464 1.00 0.00 H new ATOM 0 HB3 PRO A 311 -2.272 9.821 12.016 1.00 0.00 H new ATOM 0 HG2 PRO A 311 0.162 10.860 11.489 1.00 0.00 H new ATOM 0 HG3 PRO A 311 0.072 9.314 12.309 1.00 0.00 H new ATOM 0 HD2 PRO A 311 0.536 9.855 9.343 1.00 0.00 H new ATOM 0 HD3 PRO A 311 1.377 8.720 10.380 1.00 0.00 H new ATOM 528 N LEU A 312 -2.915 8.299 8.133 1.00 0.00 N ATOM 529 CA LEU A 312 -4.055 8.363 7.227 1.00 0.00 C ATOM 530 C LEU A 312 -5.149 7.350 7.576 1.00 0.00 C ATOM 531 O LEU A 312 -4.923 6.370 8.286 1.00 0.00 O ATOM 532 CB LEU A 312 -3.617 8.161 5.776 1.00 0.00 C ATOM 533 CG LEU A 312 -2.707 9.259 5.219 1.00 0.00 C ATOM 534 CD1 LEU A 312 -2.964 10.640 5.818 1.00 0.00 C ATOM 535 CD2 LEU A 312 -1.240 8.886 5.385 1.00 0.00 C ATOM 0 H LEU A 312 -2.021 8.111 7.679 1.00 0.00 H new ATOM 0 HA LEU A 312 -4.477 9.361 7.346 1.00 0.00 H new ATOM 0 HB2 LEU A 312 -3.099 7.205 5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 312 -4.506 8.094 5.149 1.00 0.00 H new ATOM 0 HG LEU A 312 -2.953 9.330 4.159 1.00 0.00 H new ATOM 0 HD11 LEU A 312 -2.280 11.363 5.373 1.00 0.00 H new ATOM 0 HD12 LEU A 312 -3.992 10.940 5.614 1.00 0.00 H new ATOM 0 HD13 LEU A 312 -2.804 10.605 6.896 1.00 0.00 H new ATOM 0 HD21 LEU A 312 -0.614 9.682 4.982 1.00 0.00 H new ATOM 0 HD22 LEU A 312 -1.017 8.750 6.443 1.00 0.00 H new ATOM 0 HD23 LEU A 312 -1.038 7.959 4.849 1.00 0.00 H new ATOM 547 N ASN A 313 -6.346 7.619 7.052 1.00 0.00 N ATOM 548 CA ASN A 313 -7.560 6.841 7.255 1.00 0.00 C ATOM 549 C ASN A 313 -7.422 5.419 6.705 1.00 0.00 C ATOM 550 O ASN A 313 -6.543 5.153 5.889 1.00 0.00 O ATOM 551 CB ASN A 313 -8.696 7.600 6.557 1.00 0.00 C ATOM 552 CG ASN A 313 -8.952 8.965 7.179 1.00 0.00 C ATOM 553 OD1 ASN A 313 -8.565 9.232 8.314 1.00 0.00 O ATOM 554 ND2 ASN A 313 -9.609 9.844 6.431 1.00 0.00 N ATOM 0 H ASN A 313 -6.498 8.425 6.446 1.00 0.00 H new ATOM 0 HA ASN A 313 -7.765 6.729 8.320 1.00 0.00 H new ATOM 0 HB2 ASN A 313 -8.451 7.725 5.502 1.00 0.00 H new ATOM 0 HB3 ASN A 313 -9.609 7.006 6.604 1.00 0.00 H new ATOM 0 HD21 ASN A 313 -9.807 10.776 6.795 1.00 0.00 H new ATOM 0 HD22 ASN A 313 -9.915 9.587 5.493 1.00 0.00 H new ATOM 561 N PRO A 314 -8.290 4.496 7.150 1.00 0.00 N ATOM 562 CA PRO A 314 -8.236 3.076 6.829 1.00 0.00 C ATOM 563 C PRO A 314 -8.812 2.753 5.451 1.00 0.00 C ATOM 564 O PRO A 314 -9.066 1.591 5.139 1.00 0.00 O ATOM 565 CB PRO A 314 -9.051 2.425 7.939 1.00 0.00 C ATOM 566 CG PRO A 314 -10.149 3.446 8.205 1.00 0.00 C ATOM 567 CD PRO A 314 -9.409 4.773 8.036 1.00 0.00 C ATOM 0 HA PRO A 314 -7.210 2.713 6.778 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -9.461 1.464 7.628 1.00 0.00 H new ATOM 0 HB3 PRO A 314 -8.447 2.241 8.828 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -10.974 3.348 7.500 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -10.570 3.340 9.205 1.00 0.00 H new ATOM 0 HD2 PRO A 314 -10.064 5.534 7.612 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -9.062 5.152 8.997 1.00 0.00 H new ATOM 575 N VAL A 315 -9.016 3.785 4.630 1.00 0.00 N ATOM 576 CA VAL A 315 -9.517 3.687 3.258 1.00 0.00 C ATOM 577 C VAL A 315 -8.598 2.875 2.336 1.00 0.00 C ATOM 578 O VAL A 315 -8.801 2.880 1.123 1.00 0.00 O ATOM 579 CB VAL A 315 -9.652 5.096 2.652 1.00 0.00 C ATOM 580 CG1 VAL A 315 -10.598 5.994 3.445 1.00 0.00 C ATOM 581 CG2 VAL A 315 -8.293 5.797 2.583 1.00 0.00 C ATOM 0 H VAL A 315 -8.830 4.747 4.913 1.00 0.00 H new ATOM 0 HA VAL A 315 -10.478 3.177 3.323 1.00 0.00 H new ATOM 0 HB VAL A 315 -10.061 4.945 1.653 1.00 0.00 H new ATOM 0 HG11 VAL A 315 -10.653 6.974 2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 315 -11.591 5.546 3.468 1.00 0.00 H new ATOM 0 HG13 VAL A 315 -10.226 6.105 4.464 1.00 0.00 H new ATOM 0 HG21 VAL A 315 -8.417 6.790 2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 315 -7.879 5.887 3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 315 -7.614 5.214 1.961 1.00 0.00 H new ATOM 591 N ARG A 316 -7.593 2.181 2.881 1.00 0.00 N ATOM 592 CA ARG A 316 -6.437 1.777 2.094 1.00 0.00 C ATOM 593 C ARG A 316 -5.808 0.447 2.506 1.00 0.00 C ATOM 594 O ARG A 316 -4.592 0.383 2.648 1.00 0.00 O ATOM 595 CB ARG A 316 -5.405 2.906 2.193 1.00 0.00 C ATOM 596 CG ARG A 316 -5.015 3.157 3.651 1.00 0.00 C ATOM 597 CD ARG A 316 -4.115 4.381 3.744 1.00 0.00 C ATOM 598 NE ARG A 316 -3.927 4.748 5.147 1.00 0.00 N ATOM 599 CZ ARG A 316 -2.872 4.416 5.891 1.00 0.00 C ATOM 600 NH1 ARG A 316 -1.868 3.708 5.381 1.00 0.00 N ATOM 601 NH2 ARG A 316 -2.828 4.803 7.159 1.00 0.00 N ATOM 0 H ARG A 316 -7.562 1.892 3.859 1.00 0.00 H new ATOM 0 HA ARG A 316 -6.777 1.609 1.072 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -4.519 2.647 1.614 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -5.814 3.818 1.759 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -5.910 3.306 4.255 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -4.500 2.285 4.054 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -3.151 4.172 3.280 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -4.558 5.213 3.197 1.00 0.00 H new ATOM 0 HE ARG A 316 -4.660 5.301 5.591 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -1.898 3.410 4.406 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -1.068 3.463 5.965 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -3.595 5.347 7.553 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -2.027 4.556 7.740 1.00 0.00 H new ATOM 615 N VAL A 317 -6.587 -0.620 2.702 1.00 0.00 N ATOM 616 CA VAL A 317 -5.976 -1.927 2.940 1.00 0.00 C ATOM 617 C VAL A 317 -6.676 -3.055 2.192 1.00 0.00 C ATOM 618 O VAL A 317 -7.878 -3.012 1.941 1.00 0.00 O ATOM 619 CB VAL A 317 -5.883 -2.276 4.423 1.00 0.00 C ATOM 620 CG1 VAL A 317 -4.541 -1.773 4.956 1.00 0.00 C ATOM 621 CG2 VAL A 317 -7.057 -1.754 5.248 1.00 0.00 C ATOM 0 H VAL A 317 -7.607 -0.608 2.701 1.00 0.00 H new ATOM 0 HA VAL A 317 -4.964 -1.834 2.546 1.00 0.00 H new ATOM 0 HB VAL A 317 -5.941 -3.360 4.523 1.00 0.00 H new ATOM 0 HG11 VAL A 317 -4.457 -2.014 6.016 1.00 0.00 H new ATOM 0 HG12 VAL A 317 -3.729 -2.253 4.409 1.00 0.00 H new ATOM 0 HG13 VAL A 317 -4.479 -0.693 4.823 1.00 0.00 H new ATOM 0 HG21 VAL A 317 -6.924 -2.039 6.292 1.00 0.00 H new ATOM 0 HG22 VAL A 317 -7.101 -0.668 5.172 1.00 0.00 H new ATOM 0 HG23 VAL A 317 -7.986 -2.182 4.871 1.00 0.00 H new ATOM 631 N HIS A 318 -5.874 -4.066 1.846 1.00 0.00 N ATOM 632 CA HIS A 318 -6.287 -5.284 1.179 1.00 0.00 C ATOM 633 C HIS A 318 -5.173 -6.326 1.338 1.00 0.00 C ATOM 634 O HIS A 318 -4.077 -5.990 1.786 1.00 0.00 O ATOM 635 CB HIS A 318 -6.523 -4.974 -0.300 1.00 0.00 C ATOM 636 CG HIS A 318 -7.142 -6.127 -1.038 1.00 0.00 C ATOM 637 ND1 HIS A 318 -6.686 -6.705 -2.199 1.00 0.00 N ATOM 638 CD2 HIS A 318 -8.274 -6.795 -0.664 1.00 0.00 C ATOM 639 CE1 HIS A 318 -7.532 -7.701 -2.515 1.00 0.00 C ATOM 640 NE2 HIS A 318 -8.522 -7.798 -1.610 1.00 0.00 N ATOM 0 H HIS A 318 -4.872 -4.047 2.037 1.00 0.00 H new ATOM 0 HA HIS A 318 -7.208 -5.675 1.612 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -7.171 -4.102 -0.386 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -5.574 -4.714 -0.769 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -8.874 -6.586 0.210 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -7.430 -8.339 -3.381 1.00 0.00 H new ATOM 0 HE2 HIS A 318 -9.294 -8.464 -1.612 1.00 0.00 H new ATOM 648 N ILE A 319 -5.442 -7.584 0.976 1.00 0.00 N ATOM 649 CA ILE A 319 -4.481 -8.676 1.096 1.00 0.00 C ATOM 650 C ILE A 319 -4.600 -9.575 -0.131 1.00 0.00 C ATOM 651 O ILE A 319 -5.689 -9.732 -0.682 1.00 0.00 O ATOM 652 CB ILE A 319 -4.772 -9.483 2.372 1.00 0.00 C ATOM 653 CG1 ILE A 319 -4.673 -8.640 3.651 1.00 0.00 C ATOM 654 CG2 ILE A 319 -3.826 -10.682 2.478 1.00 0.00 C ATOM 655 CD1 ILE A 319 -3.260 -8.158 3.965 1.00 0.00 C ATOM 0 H ILE A 319 -6.341 -7.872 0.589 1.00 0.00 H new ATOM 0 HA ILE A 319 -3.469 -8.276 1.158 1.00 0.00 H new ATOM 0 HB ILE A 319 -5.803 -9.827 2.286 1.00 0.00 H new ATOM 0 HG12 ILE A 319 -5.329 -7.775 3.556 1.00 0.00 H new ATOM 0 HG13 ILE A 319 -5.041 -9.228 4.492 1.00 0.00 H new ATOM 0 HG21 ILE A 319 -4.047 -11.241 3.387 1.00 0.00 H new ATOM 0 HG22 ILE A 319 -3.961 -11.330 1.612 1.00 0.00 H new ATOM 0 HG23 ILE A 319 -2.795 -10.330 2.510 1.00 0.00 H new ATOM 0 HD11 ILE A 319 -3.272 -7.570 4.882 1.00 0.00 H new ATOM 0 HD12 ILE A 319 -2.602 -9.018 4.094 1.00 0.00 H new ATOM 0 HD13 ILE A 319 -2.895 -7.542 3.143 1.00 0.00 H new ATOM 667 N GLU A 320 -3.484 -10.168 -0.564 1.00 0.00 N ATOM 668 CA GLU A 320 -3.468 -11.032 -1.734 1.00 0.00 C ATOM 669 C GLU A 320 -2.271 -11.977 -1.674 1.00 0.00 C ATOM 670 O GLU A 320 -1.125 -11.551 -1.811 1.00 0.00 O ATOM 671 CB GLU A 320 -3.384 -10.158 -2.981 1.00 0.00 C ATOM 672 CG GLU A 320 -3.420 -11.001 -4.252 1.00 0.00 C ATOM 673 CD GLU A 320 -3.393 -10.116 -5.497 1.00 0.00 C ATOM 674 OE1 GLU A 320 -4.486 -9.677 -5.919 1.00 0.00 O ATOM 675 OE2 GLU A 320 -2.280 -9.884 -6.019 1.00 0.00 O ATOM 0 H GLU A 320 -2.575 -10.060 -0.113 1.00 0.00 H new ATOM 0 HA GLU A 320 -4.377 -11.633 -1.763 1.00 0.00 H new ATOM 0 HB2 GLU A 320 -4.213 -9.450 -2.988 1.00 0.00 H new ATOM 0 HB3 GLU A 320 -2.465 -9.573 -2.956 1.00 0.00 H new ATOM 0 HG2 GLU A 320 -2.568 -11.681 -4.266 1.00 0.00 H new ATOM 0 HG3 GLU A 320 -4.319 -11.617 -4.259 1.00 0.00 H new ATOM 817 N ALA A 331 0.797 -7.990 0.819 1.00 0.00 N ATOM 818 CA ALA A 331 -0.327 -7.221 1.311 1.00 0.00 C ATOM 819 C ALA A 331 -0.209 -5.852 0.660 1.00 0.00 C ATOM 820 O ALA A 331 0.898 -5.403 0.367 1.00 0.00 O ATOM 821 CB ALA A 331 -0.240 -7.109 2.830 1.00 0.00 C ATOM 0 HA ALA A 331 -1.283 -7.686 1.072 1.00 0.00 H new ATOM 0 HB1 ALA A 331 -1.086 -6.530 3.201 1.00 0.00 H new ATOM 0 HB2 ALA A 331 -0.261 -8.106 3.270 1.00 0.00 H new ATOM 0 HB3 ALA A 331 0.689 -6.611 3.105 1.00 0.00 H new ATOM 827 N ASP A 332 -1.334 -5.180 0.427 1.00 0.00 N ATOM 828 CA ASP A 332 -1.281 -3.907 -0.267 1.00 0.00 C ATOM 829 C ASP A 332 -2.225 -2.871 0.325 1.00 0.00 C ATOM 830 O ASP A 332 -3.090 -3.185 1.141 1.00 0.00 O ATOM 831 CB ASP A 332 -1.560 -4.145 -1.752 1.00 0.00 C ATOM 832 CG ASP A 332 -3.004 -4.562 -2.013 1.00 0.00 C ATOM 833 OD1 ASP A 332 -3.291 -5.773 -1.884 1.00 0.00 O ATOM 834 OD2 ASP A 332 -3.810 -3.663 -2.340 1.00 0.00 O ATOM 0 H ASP A 332 -2.267 -5.489 0.702 1.00 0.00 H new ATOM 0 HA ASP A 332 -0.282 -3.488 -0.144 1.00 0.00 H new ATOM 0 HB2 ASP A 332 -1.341 -3.235 -2.310 1.00 0.00 H new ATOM 0 HB3 ASP A 332 -0.888 -4.918 -2.126 1.00 0.00 H new ATOM 839 N VAL A 333 -2.037 -1.622 -0.106 1.00 0.00 N ATOM 840 CA VAL A 333 -2.809 -0.489 0.372 1.00 0.00 C ATOM 841 C VAL A 333 -3.261 0.365 -0.808 1.00 0.00 C ATOM 842 O VAL A 333 -2.720 0.257 -1.908 1.00 0.00 O ATOM 843 CB VAL A 333 -1.971 0.326 1.369 1.00 0.00 C ATOM 844 CG1 VAL A 333 -1.591 -0.518 2.584 1.00 0.00 C ATOM 845 CG2 VAL A 333 -0.685 0.836 0.734 1.00 0.00 C ATOM 0 H VAL A 333 -1.336 -1.373 -0.804 1.00 0.00 H new ATOM 0 HA VAL A 333 -3.700 -0.843 0.890 1.00 0.00 H new ATOM 0 HB VAL A 333 -2.590 1.170 1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 333 -0.998 0.083 3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 333 -2.496 -0.860 3.086 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -1.007 -1.380 2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 333 -0.118 1.408 1.469 1.00 0.00 H new ATOM 0 HG22 VAL A 333 -0.087 -0.009 0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -0.927 1.475 -0.115 1.00 0.00 H new ATOM 855 N GLU A 334 -4.260 1.219 -0.574 1.00 0.00 N ATOM 856 CA GLU A 334 -4.880 2.028 -1.614 1.00 0.00 C ATOM 857 C GLU A 334 -5.125 3.444 -1.093 1.00 0.00 C ATOM 858 O GLU A 334 -6.258 3.837 -0.821 1.00 0.00 O ATOM 859 CB GLU A 334 -6.168 1.350 -2.090 1.00 0.00 C ATOM 860 CG GLU A 334 -6.758 2.063 -3.307 1.00 0.00 C ATOM 861 CD GLU A 334 -8.018 1.352 -3.796 1.00 0.00 C ATOM 862 OE1 GLU A 334 -7.877 0.441 -4.642 1.00 0.00 O ATOM 863 OE2 GLU A 334 -9.113 1.723 -3.319 1.00 0.00 O ATOM 0 H GLU A 334 -4.661 1.366 0.352 1.00 0.00 H new ATOM 0 HA GLU A 334 -4.215 2.111 -2.474 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -5.962 0.310 -2.341 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -6.898 1.344 -1.281 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -6.995 3.095 -3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -6.020 2.095 -4.108 1.00 0.00 H new ATOM 870 N PHE A 335 -4.041 4.212 -0.956 1.00 0.00 N ATOM 871 CA PHE A 335 -4.088 5.585 -0.484 1.00 0.00 C ATOM 872 C PHE A 335 -5.015 6.442 -1.341 1.00 0.00 C ATOM 873 O PHE A 335 -5.178 6.208 -2.541 1.00 0.00 O ATOM 874 CB PHE A 335 -2.682 6.179 -0.528 1.00 0.00 C ATOM 875 CG PHE A 335 -1.760 5.624 0.529 1.00 0.00 C ATOM 876 CD1 PHE A 335 -1.874 6.070 1.852 1.00 0.00 C ATOM 877 CD2 PHE A 335 -0.794 4.667 0.192 1.00 0.00 C ATOM 878 CE1 PHE A 335 -1.023 5.556 2.839 1.00 0.00 C ATOM 879 CE2 PHE A 335 0.058 4.155 1.179 1.00 0.00 C ATOM 880 CZ PHE A 335 -0.062 4.596 2.503 1.00 0.00 C ATOM 0 H PHE A 335 -3.099 3.888 -1.174 1.00 0.00 H new ATOM 0 HA PHE A 335 -4.473 5.579 0.536 1.00 0.00 H new ATOM 0 HB2 PHE A 335 -2.248 5.993 -1.511 1.00 0.00 H new ATOM 0 HB3 PHE A 335 -2.749 7.260 -0.409 1.00 0.00 H new ATOM 0 HD1 PHE A 335 -2.617 6.809 2.111 1.00 0.00 H new ATOM 0 HD2 PHE A 335 -0.706 4.324 -0.828 1.00 0.00 H new ATOM 0 HE1 PHE A 335 -1.109 5.901 3.859 1.00 0.00 H new ATOM 0 HE2 PHE A 335 0.807 3.421 0.919 1.00 0.00 H new ATOM 0 HZ PHE A 335 0.588 4.194 3.266 1.00 0.00 H new ATOM 890 N ALA A 336 -5.620 7.445 -0.702 1.00 0.00 N ATOM 891 CA ALA A 336 -6.397 8.450 -1.396 1.00 0.00 C ATOM 892 C ALA A 336 -5.410 9.460 -1.982 1.00 0.00 C ATOM 893 O ALA A 336 -4.771 10.219 -1.251 1.00 0.00 O ATOM 894 CB ALA A 336 -7.386 9.093 -0.421 1.00 0.00 C ATOM 0 H ALA A 336 -5.580 7.575 0.309 1.00 0.00 H new ATOM 0 HA ALA A 336 -6.989 8.023 -2.206 1.00 0.00 H new ATOM 0 HB1 ALA A 336 -7.971 9.850 -0.943 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -8.053 8.329 -0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 336 -6.838 9.559 0.398 1.00 0.00 H new ATOM 900 N THR A 337 -5.300 9.454 -3.314 1.00 0.00 N ATOM 901 CA THR A 337 -4.378 10.264 -4.104 1.00 0.00 C ATOM 902 C THR A 337 -2.920 9.931 -3.806 1.00 0.00 C ATOM 903 O THR A 337 -2.588 9.341 -2.777 1.00 0.00 O ATOM 904 CB THR A 337 -4.644 11.767 -3.971 1.00 0.00 C ATOM 905 OG1 THR A 337 -4.267 12.247 -2.701 1.00 0.00 O ATOM 906 CG2 THR A 337 -6.113 12.101 -4.223 1.00 0.00 C ATOM 0 H THR A 337 -5.883 8.852 -3.896 1.00 0.00 H new ATOM 0 HA THR A 337 -4.569 10.002 -5.145 1.00 0.00 H new ATOM 0 HB THR A 337 -4.036 12.260 -4.730 1.00 0.00 H new ATOM 0 HG1 THR A 337 -4.030 11.492 -2.123 1.00 0.00 H new ATOM 0 HG21 THR A 337 -6.265 13.175 -4.120 1.00 0.00 H new ATOM 0 HG22 THR A 337 -6.389 11.790 -5.231 1.00 0.00 H new ATOM 0 HG23 THR A 337 -6.735 11.576 -3.498 1.00 0.00 H new ATOM 914 N HIS A 338 -2.035 10.320 -4.725 1.00 0.00 N ATOM 915 CA HIS A 338 -0.610 10.105 -4.549 1.00 0.00 C ATOM 916 C HIS A 338 -0.086 10.955 -3.391 1.00 0.00 C ATOM 917 O HIS A 338 1.010 10.719 -2.892 1.00 0.00 O ATOM 918 CB HIS A 338 0.105 10.456 -5.854 1.00 0.00 C ATOM 919 CG HIS A 338 1.557 10.072 -5.845 1.00 0.00 C ATOM 920 ND1 HIS A 338 2.066 8.802 -5.987 1.00 0.00 N ATOM 921 CD2 HIS A 338 2.617 10.923 -5.697 1.00 0.00 C ATOM 922 CE1 HIS A 338 3.406 8.891 -5.924 1.00 0.00 C ATOM 923 NE2 HIS A 338 3.794 10.168 -5.757 1.00 0.00 N ATOM 0 H HIS A 338 -2.287 10.785 -5.597 1.00 0.00 H new ATOM 0 HA HIS A 338 -0.418 9.060 -4.306 1.00 0.00 H new ATOM 0 HB2 HIS A 338 -0.394 9.953 -6.683 1.00 0.00 H new ATOM 0 HB3 HIS A 338 0.019 11.528 -6.033 1.00 0.00 H new ATOM 0 HD2 HIS A 338 2.557 11.992 -5.558 1.00 0.00 H new ATOM 0 HE1 HIS A 338 4.080 8.050 -5.998 1.00 0.00 H new ATOM 0 HE2 HIS A 338 4.751 10.515 -5.688 1.00 0.00 H new ATOM 931 N GLU A 339 -0.868 11.948 -2.958 1.00 0.00 N ATOM 932 CA GLU A 339 -0.483 12.835 -1.873 1.00 0.00 C ATOM 933 C GLU A 339 -0.484 12.104 -0.538 1.00 0.00 C ATOM 934 O GLU A 339 0.422 12.309 0.266 1.00 0.00 O ATOM 935 CB GLU A 339 -1.441 14.020 -1.832 1.00 0.00 C ATOM 936 CG GLU A 339 -1.229 14.855 -3.092 1.00 0.00 C ATOM 937 CD GLU A 339 -2.168 16.059 -3.127 1.00 0.00 C ATOM 938 OE1 GLU A 339 -1.913 17.014 -2.360 1.00 0.00 O ATOM 939 OE2 GLU A 339 -3.134 16.016 -3.920 1.00 0.00 O ATOM 0 H GLU A 339 -1.785 12.154 -3.354 1.00 0.00 H new ATOM 0 HA GLU A 339 0.532 13.191 -2.052 1.00 0.00 H new ATOM 0 HB2 GLU A 339 -2.472 13.672 -1.777 1.00 0.00 H new ATOM 0 HB3 GLU A 339 -1.260 14.623 -0.942 1.00 0.00 H new ATOM 0 HG2 GLU A 339 -0.195 15.197 -3.134 1.00 0.00 H new ATOM 0 HG3 GLU A 339 -1.396 14.236 -3.973 1.00 0.00 H new ATOM 946 N GLU A 340 -1.481 11.253 -0.280 1.00 0.00 N ATOM 947 CA GLU A 340 -1.423 10.432 0.921 1.00 0.00 C ATOM 948 C GLU A 340 -0.363 9.346 0.763 1.00 0.00 C ATOM 949 O GLU A 340 0.218 8.905 1.754 1.00 0.00 O ATOM 950 CB GLU A 340 -2.777 9.793 1.223 1.00 0.00 C ATOM 951 CG GLU A 340 -3.768 10.844 1.726 1.00 0.00 C ATOM 952 CD GLU A 340 -5.065 10.208 2.228 1.00 0.00 C ATOM 953 OE1 GLU A 340 -5.148 8.959 2.238 1.00 0.00 O ATOM 954 OE2 GLU A 340 -5.972 10.986 2.599 1.00 0.00 O ATOM 0 H GLU A 340 -2.306 11.120 -0.865 1.00 0.00 H new ATOM 0 HA GLU A 340 -1.158 11.080 1.757 1.00 0.00 H new ATOM 0 HB2 GLU A 340 -3.169 9.316 0.324 1.00 0.00 H new ATOM 0 HB3 GLU A 340 -2.657 9.010 1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 340 -3.310 11.419 2.531 1.00 0.00 H new ATOM 0 HG3 GLU A 340 -3.994 11.544 0.922 1.00 0.00 H new ATOM 961 N ALA A 341 -0.101 8.905 -0.473 1.00 0.00 N ATOM 962 CA ALA A 341 0.901 7.875 -0.693 1.00 0.00 C ATOM 963 C ALA A 341 2.288 8.380 -0.288 1.00 0.00 C ATOM 964 O ALA A 341 3.021 7.679 0.409 1.00 0.00 O ATOM 965 CB ALA A 341 0.872 7.430 -2.156 1.00 0.00 C ATOM 0 H ALA A 341 -0.563 9.242 -1.317 1.00 0.00 H new ATOM 0 HA ALA A 341 0.672 7.011 -0.068 1.00 0.00 H new ATOM 0 HB1 ALA A 341 1.625 6.658 -2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 341 -0.114 7.031 -2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 341 1.085 8.283 -2.800 1.00 0.00 H new ATOM 971 N VAL A 342 2.665 9.593 -0.714 1.00 0.00 N ATOM 972 CA VAL A 342 3.947 10.167 -0.318 1.00 0.00 C ATOM 973 C VAL A 342 3.922 10.620 1.138 1.00 0.00 C ATOM 974 O VAL A 342 4.975 10.712 1.765 1.00 0.00 O ATOM 975 CB VAL A 342 4.340 11.338 -1.224 1.00 0.00 C ATOM 976 CG1 VAL A 342 4.407 10.882 -2.680 1.00 0.00 C ATOM 977 CG2 VAL A 342 3.356 12.499 -1.102 1.00 0.00 C ATOM 0 H VAL A 342 2.104 10.186 -1.326 1.00 0.00 H new ATOM 0 HA VAL A 342 4.696 9.383 -0.426 1.00 0.00 H new ATOM 0 HB VAL A 342 5.322 11.685 -0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 342 4.687 11.724 -3.313 1.00 0.00 H new ATOM 0 HG12 VAL A 342 5.150 10.090 -2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 342 3.432 10.505 -2.989 1.00 0.00 H new ATOM 0 HG21 VAL A 342 3.668 13.311 -1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 342 2.359 12.163 -1.388 1.00 0.00 H new ATOM 0 HG23 VAL A 342 3.337 12.853 -0.071 1.00 0.00 H new ATOM 987 N ALA A 343 2.734 10.905 1.685 1.00 0.00 N ATOM 988 CA ALA A 343 2.601 11.273 3.087 1.00 0.00 C ATOM 989 C ALA A 343 2.816 10.057 3.985 1.00 0.00 C ATOM 990 O ALA A 343 2.913 10.198 5.203 1.00 0.00 O ATOM 991 CB ALA A 343 1.223 11.883 3.337 1.00 0.00 C ATOM 0 H ALA A 343 1.853 10.886 1.171 1.00 0.00 H new ATOM 0 HA ALA A 343 3.364 12.013 3.328 1.00 0.00 H new ATOM 0 HB1 ALA A 343 1.131 12.156 4.388 1.00 0.00 H new ATOM 0 HB2 ALA A 343 1.101 12.773 2.719 1.00 0.00 H new ATOM 0 HB3 ALA A 343 0.452 11.156 3.082 1.00 0.00 H new ATOM 997 N ALA A 344 2.892 8.863 3.387 1.00 0.00 N ATOM 998 CA ALA A 344 3.192 7.640 4.109 1.00 0.00 C ATOM 999 C ALA A 344 4.519 7.018 3.655 1.00 0.00 C ATOM 1000 O ALA A 344 4.955 6.019 4.225 1.00 0.00 O ATOM 1001 CB ALA A 344 2.028 6.671 3.928 1.00 0.00 C ATOM 0 H ALA A 344 2.746 8.726 2.387 1.00 0.00 H new ATOM 0 HA ALA A 344 3.314 7.870 5.167 1.00 0.00 H new ATOM 0 HB1 ALA A 344 2.238 5.746 4.465 1.00 0.00 H new ATOM 0 HB2 ALA A 344 1.116 7.120 4.322 1.00 0.00 H new ATOM 0 HB3 ALA A 344 1.897 6.454 2.868 1.00 0.00 H new ATOM 1007 N MET A 345 5.165 7.597 2.635 1.00 0.00 N ATOM 1008 CA MET A 345 6.493 7.184 2.189 1.00 0.00 C ATOM 1009 C MET A 345 7.568 7.725 3.126 1.00 0.00 C ATOM 1010 O MET A 345 8.448 8.483 2.720 1.00 0.00 O ATOM 1011 CB MET A 345 6.739 7.640 0.751 1.00 0.00 C ATOM 1012 CG MET A 345 5.959 6.735 -0.197 1.00 0.00 C ATOM 1013 SD MET A 345 6.972 5.500 -1.052 1.00 0.00 S ATOM 1014 CE MET A 345 7.256 4.343 0.305 1.00 0.00 C ATOM 0 H MET A 345 4.775 8.370 2.095 1.00 0.00 H new ATOM 0 HA MET A 345 6.544 6.095 2.214 1.00 0.00 H new ATOM 0 HB2 MET A 345 6.425 8.676 0.626 1.00 0.00 H new ATOM 0 HB3 MET A 345 7.803 7.599 0.520 1.00 0.00 H new ATOM 0 HG2 MET A 345 5.181 6.222 0.368 1.00 0.00 H new ATOM 0 HG3 MET A 345 5.457 7.354 -0.941 1.00 0.00 H new ATOM 0 HE1 MET A 345 7.492 3.359 -0.099 1.00 0.00 H new ATOM 0 HE2 MET A 345 8.089 4.694 0.914 1.00 0.00 H new ATOM 0 HE3 MET A 345 6.359 4.277 0.920 1.00 0.00 H new ATOM 1024 N SER A 346 7.486 7.323 4.394 1.00 0.00 N ATOM 1025 CA SER A 346 8.431 7.703 5.429 1.00 0.00 C ATOM 1026 C SER A 346 8.794 6.467 6.246 1.00 0.00 C ATOM 1027 O SER A 346 9.288 6.582 7.367 1.00 0.00 O ATOM 1028 CB SER A 346 7.817 8.797 6.304 1.00 0.00 C ATOM 1029 OG SER A 346 6.614 8.330 6.885 1.00 0.00 O ATOM 0 H SER A 346 6.743 6.711 4.732 1.00 0.00 H new ATOM 0 HA SER A 346 9.343 8.103 4.986 1.00 0.00 H new ATOM 0 HB2 SER A 346 8.520 9.087 7.085 1.00 0.00 H new ATOM 0 HB3 SER A 346 7.621 9.686 5.705 1.00 0.00 H new ATOM 0 HG SER A 346 6.226 9.034 7.445 1.00 0.00 H new ATOM 1035 N LYS A 347 8.544 5.281 5.673 1.00 0.00 N ATOM 1036 CA LYS A 347 8.732 4.014 6.369 1.00 0.00 C ATOM 1037 C LYS A 347 9.511 3.003 5.532 1.00 0.00 C ATOM 1038 O LYS A 347 9.387 1.803 5.766 1.00 0.00 O ATOM 1039 CB LYS A 347 7.363 3.451 6.772 1.00 0.00 C ATOM 1040 CG LYS A 347 6.633 4.359 7.762 1.00 0.00 C ATOM 1041 CD LYS A 347 7.317 4.370 9.132 1.00 0.00 C ATOM 1042 CE LYS A 347 6.724 5.470 10.013 1.00 0.00 C ATOM 1043 NZ LYS A 347 5.256 5.363 10.110 1.00 0.00 N ATOM 0 H LYS A 347 8.207 5.180 4.716 1.00 0.00 H new ATOM 0 HA LYS A 347 9.329 4.201 7.261 1.00 0.00 H new ATOM 0 HB2 LYS A 347 6.749 3.321 5.881 1.00 0.00 H new ATOM 0 HB3 LYS A 347 7.494 2.464 7.216 1.00 0.00 H new ATOM 0 HG2 LYS A 347 6.596 5.374 7.366 1.00 0.00 H new ATOM 0 HG3 LYS A 347 5.602 4.022 7.873 1.00 0.00 H new ATOM 0 HD2 LYS A 347 7.193 3.401 9.616 1.00 0.00 H new ATOM 0 HD3 LYS A 347 8.388 4.531 9.010 1.00 0.00 H new ATOM 0 HE2 LYS A 347 7.159 5.411 11.011 1.00 0.00 H new ATOM 0 HE3 LYS A 347 6.991 6.445 9.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 4.925 5.881 10.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 4.821 5.771 9.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 4.986 4.362 10.192 1.00 0.00 H new ATOM 1057 N ASP A 348 10.308 3.469 4.564 1.00 0.00 N ATOM 1058 CA ASP A 348 11.137 2.604 3.730 1.00 0.00 C ATOM 1059 C ASP A 348 11.814 1.527 4.578 1.00 0.00 C ATOM 1060 O ASP A 348 12.723 1.806 5.358 1.00 0.00 O ATOM 1061 CB ASP A 348 12.137 3.443 2.927 1.00 0.00 C ATOM 1062 CG ASP A 348 13.079 4.263 3.809 1.00 0.00 C ATOM 1063 OD1 ASP A 348 12.587 5.222 4.445 1.00 0.00 O ATOM 1064 OD2 ASP A 348 14.283 3.925 3.839 1.00 0.00 O ATOM 0 H ASP A 348 10.394 4.460 4.340 1.00 0.00 H new ATOM 0 HA ASP A 348 10.506 2.083 3.010 1.00 0.00 H new ATOM 0 HB2 ASP A 348 12.727 2.783 2.291 1.00 0.00 H new ATOM 0 HB3 ASP A 348 11.590 4.116 2.267 1.00 0.00 H new ATOM 1069 N ARG A 349 11.338 0.287 4.399 1.00 0.00 N ATOM 1070 CA ARG A 349 11.734 -0.897 5.151 1.00 0.00 C ATOM 1071 C ARG A 349 12.021 -0.621 6.635 1.00 0.00 C ATOM 1072 O ARG A 349 12.964 -1.162 7.211 1.00 0.00 O ATOM 1073 CB ARG A 349 12.799 -1.691 4.406 1.00 0.00 C ATOM 1074 CG ARG A 349 14.088 -0.925 4.160 1.00 0.00 C ATOM 1075 CD ARG A 349 14.822 -1.730 3.097 1.00 0.00 C ATOM 1076 NE ARG A 349 16.063 -1.066 2.683 1.00 0.00 N ATOM 1077 CZ ARG A 349 17.216 -1.122 3.355 1.00 0.00 C ATOM 1078 NH1 ARG A 349 17.316 -1.814 4.488 1.00 0.00 N ATOM 1079 NH2 ARG A 349 18.284 -0.478 2.891 1.00 0.00 N ATOM 0 H ARG A 349 10.634 0.080 3.691 1.00 0.00 H new ATOM 0 HA ARG A 349 10.870 -1.559 5.206 1.00 0.00 H new ATOM 0 HB2 ARG A 349 13.028 -2.593 4.974 1.00 0.00 H new ATOM 0 HB3 ARG A 349 12.392 -2.013 3.447 1.00 0.00 H new ATOM 0 HG2 ARG A 349 13.886 0.090 3.818 1.00 0.00 H new ATOM 0 HG3 ARG A 349 14.679 -0.842 5.072 1.00 0.00 H new ATOM 0 HD2 ARG A 349 15.051 -2.723 3.484 1.00 0.00 H new ATOM 0 HD3 ARG A 349 14.175 -1.867 2.231 1.00 0.00 H new ATOM 0 HE ARG A 349 16.044 -0.523 1.820 1.00 0.00 H new ATOM 0 HH11 ARG A 349 16.505 -2.312 4.855 1.00 0.00 H new ATOM 0 HH12 ARG A 349 18.204 -1.847 4.989 1.00 0.00 H new ATOM 0 HH21 ARG A 349 18.221 0.056 2.025 1.00 0.00 H new ATOM 0 HH22 ARG A 349 19.166 -0.519 3.402 1.00 0.00 H new ATOM 1093 N ALA A 350 11.186 0.233 7.238 1.00 0.00 N ATOM 1094 CA ALA A 350 11.253 0.646 8.632 1.00 0.00 C ATOM 1095 C ALA A 350 10.757 -0.436 9.598 1.00 0.00 C ATOM 1096 O ALA A 350 10.272 -1.488 9.186 1.00 0.00 O ATOM 1097 CB ALA A 350 10.371 1.888 8.787 1.00 0.00 C ATOM 0 H ALA A 350 10.412 0.671 6.739 1.00 0.00 H new ATOM 0 HA ALA A 350 12.296 0.843 8.882 1.00 0.00 H new ATOM 0 HB1 ALA A 350 10.398 2.226 9.823 1.00 0.00 H new ATOM 0 HB2 ALA A 350 10.741 2.681 8.137 1.00 0.00 H new ATOM 0 HB3 ALA A 350 9.345 1.643 8.512 1.00 0.00 H new ATOM 1103 N ASN A 351 10.884 -0.164 10.902 1.00 0.00 N ATOM 1104 CA ASN A 351 10.325 -1.004 11.954 1.00 0.00 C ATOM 1105 C ASN A 351 8.799 -0.862 11.960 1.00 0.00 C ATOM 1106 O ASN A 351 8.250 -0.007 11.266 1.00 0.00 O ATOM 1107 CB ASN A 351 10.937 -0.568 13.293 1.00 0.00 C ATOM 1108 CG ASN A 351 10.516 -1.447 14.465 1.00 0.00 C ATOM 1109 OD1 ASN A 351 10.188 -2.619 14.299 1.00 0.00 O ATOM 1110 ND2 ASN A 351 10.524 -0.882 15.669 1.00 0.00 N ATOM 0 H ASN A 351 11.383 0.653 11.254 1.00 0.00 H new ATOM 0 HA ASN A 351 10.561 -2.055 11.784 1.00 0.00 H new ATOM 0 HB2 ASN A 351 12.024 -0.583 13.209 1.00 0.00 H new ATOM 0 HB3 ASN A 351 10.647 0.462 13.498 1.00 0.00 H new ATOM 0 HD21 ASN A 351 10.252 -1.425 16.489 1.00 0.00 H new ATOM 0 HD22 ASN A 351 10.802 0.094 15.773 1.00 0.00 H new ATOM 1117 N MET A 352 8.103 -1.694 12.740 1.00 0.00 N ATOM 1118 CA MET A 352 6.648 -1.671 12.810 1.00 0.00 C ATOM 1119 C MET A 352 6.147 -2.035 14.206 1.00 0.00 C ATOM 1120 O MET A 352 5.130 -1.510 14.653 1.00 0.00 O ATOM 1121 CB MET A 352 6.116 -2.672 11.785 1.00 0.00 C ATOM 1122 CG MET A 352 4.595 -2.757 11.836 1.00 0.00 C ATOM 1123 SD MET A 352 3.885 -3.703 10.468 1.00 0.00 S ATOM 1124 CE MET A 352 2.145 -3.610 10.948 1.00 0.00 C ATOM 0 H MET A 352 8.535 -2.399 13.337 1.00 0.00 H new ATOM 0 HA MET A 352 6.291 -0.664 12.594 1.00 0.00 H new ATOM 0 HB2 MET A 352 6.433 -2.376 10.785 1.00 0.00 H new ATOM 0 HB3 MET A 352 6.545 -3.656 11.977 1.00 0.00 H new ATOM 0 HG2 MET A 352 4.295 -3.214 12.779 1.00 0.00 H new ATOM 0 HG3 MET A 352 4.181 -1.749 11.825 1.00 0.00 H new ATOM 0 HE1 MET A 352 1.523 -3.565 10.054 1.00 0.00 H new ATOM 0 HE2 MET A 352 1.880 -4.493 11.530 1.00 0.00 H new ATOM 0 HE3 MET A 352 1.981 -2.716 11.550 1.00 0.00 H new ATOM 1134 N GLN A 353 6.859 -2.930 14.895 1.00 0.00 N ATOM 1135 CA GLN A 353 6.529 -3.315 16.259 1.00 0.00 C ATOM 1136 C GLN A 353 7.719 -3.971 16.942 1.00 0.00 C ATOM 1137 O GLN A 353 8.026 -3.654 18.089 1.00 0.00 O ATOM 1138 CB GLN A 353 5.346 -4.280 16.278 1.00 0.00 C ATOM 1139 CG GLN A 353 5.339 -5.290 15.129 1.00 0.00 C ATOM 1140 CD GLN A 353 4.016 -6.037 15.138 1.00 0.00 C ATOM 1141 OE1 GLN A 353 3.970 -7.252 15.303 1.00 0.00 O ATOM 1142 NE2 GLN A 353 2.928 -5.294 14.959 1.00 0.00 N ATOM 0 H GLN A 353 7.679 -3.405 14.518 1.00 0.00 H new ATOM 0 HA GLN A 353 6.263 -2.407 16.800 1.00 0.00 H new ATOM 0 HB2 GLN A 353 5.350 -4.823 17.223 1.00 0.00 H new ATOM 0 HB3 GLN A 353 4.421 -3.704 16.245 1.00 0.00 H new ATOM 0 HG2 GLN A 353 5.476 -4.778 14.176 1.00 0.00 H new ATOM 0 HG3 GLN A 353 6.168 -5.990 15.237 1.00 0.00 H new ATOM 0 HE21 GLN A 353 3.015 -4.286 14.826 1.00 0.00 H new ATOM 0 HE22 GLN A 353 2.007 -5.732 14.955 1.00 0.00 H new ATOM 1151 N HIS A 354 8.390 -4.886 16.235 1.00 0.00 N ATOM 1152 CA HIS A 354 9.520 -5.603 16.795 1.00 0.00 C ATOM 1153 C HIS A 354 10.387 -6.244 15.709 1.00 0.00 C ATOM 1154 O HIS A 354 11.284 -7.025 16.025 1.00 0.00 O ATOM 1155 CB HIS A 354 8.989 -6.667 17.756 1.00 0.00 C ATOM 1156 CG HIS A 354 8.436 -7.877 17.055 1.00 0.00 C ATOM 1157 ND1 HIS A 354 9.139 -8.982 16.637 1.00 0.00 N ATOM 1158 CD2 HIS A 354 7.127 -8.076 16.719 1.00 0.00 C ATOM 1159 CE1 HIS A 354 8.268 -9.826 16.058 1.00 0.00 C ATOM 1160 NE2 HIS A 354 7.021 -9.321 16.088 1.00 0.00 N ATOM 0 H HIS A 354 8.163 -5.142 15.274 1.00 0.00 H new ATOM 0 HA HIS A 354 10.157 -4.896 17.327 1.00 0.00 H new ATOM 0 HB2 HIS A 354 9.793 -6.978 18.423 1.00 0.00 H new ATOM 0 HB3 HIS A 354 8.209 -6.228 18.379 1.00 0.00 H new ATOM 0 HD2 HIS A 354 6.314 -7.391 16.908 1.00 0.00 H new ATOM 0 HE1 HIS A 354 8.533 -10.780 15.627 1.00 0.00 H new ATOM 0 HE2 HIS A 354 6.173 -9.756 15.725 1.00 0.00 H new ATOM 1168 N ARG A 355 10.132 -5.925 14.432 1.00 0.00 N ATOM 1169 CA ARG A 355 10.784 -6.601 13.322 1.00 0.00 C ATOM 1170 C ARG A 355 10.968 -5.675 12.126 1.00 0.00 C ATOM 1171 O ARG A 355 10.292 -4.657 11.991 1.00 0.00 O ATOM 1172 CB ARG A 355 9.911 -7.791 12.898 1.00 0.00 C ATOM 1173 CG ARG A 355 10.686 -8.843 12.103 1.00 0.00 C ATOM 1174 CD ARG A 355 9.746 -10.004 11.780 1.00 0.00 C ATOM 1175 NE ARG A 355 10.407 -10.997 10.927 1.00 0.00 N ATOM 1176 CZ ARG A 355 9.936 -12.226 10.701 1.00 0.00 C ATOM 1177 NH1 ARG A 355 8.800 -12.639 11.258 1.00 0.00 N ATOM 1178 NH2 ARG A 355 10.607 -13.059 9.909 1.00 0.00 N ATOM 0 H ARG A 355 9.474 -5.198 14.151 1.00 0.00 H new ATOM 0 HA ARG A 355 11.771 -6.929 13.650 1.00 0.00 H new ATOM 0 HB2 ARG A 355 9.483 -8.256 13.786 1.00 0.00 H new ATOM 0 HB3 ARG A 355 9.078 -7.428 12.296 1.00 0.00 H new ATOM 0 HG2 ARG A 355 11.079 -8.408 11.184 1.00 0.00 H new ATOM 0 HG3 ARG A 355 11.541 -9.198 12.679 1.00 0.00 H new ATOM 0 HD2 ARG A 355 9.416 -10.477 12.705 1.00 0.00 H new ATOM 0 HD3 ARG A 355 8.855 -9.626 11.279 1.00 0.00 H new ATOM 0 HE ARG A 355 11.283 -10.732 10.477 1.00 0.00 H new ATOM 0 HH11 ARG A 355 8.274 -12.013 11.869 1.00 0.00 H new ATOM 0 HH12 ARG A 355 8.455 -13.581 11.074 1.00 0.00 H new ATOM 0 HH21 ARG A 355 11.480 -12.758 9.475 1.00 0.00 H new ATOM 0 HH22 ARG A 355 10.248 -13.998 9.736 1.00 0.00 H new ATOM 1192 N TYR A 356 11.904 -6.065 11.264 1.00 0.00 N ATOM 1193 CA TYR A 356 12.124 -5.507 9.945 1.00 0.00 C ATOM 1194 C TYR A 356 10.833 -5.721 9.153 1.00 0.00 C ATOM 1195 O TYR A 356 10.352 -6.847 9.064 1.00 0.00 O ATOM 1196 CB TYR A 356 13.334 -6.289 9.415 1.00 0.00 C ATOM 1197 CG TYR A 356 13.741 -6.218 7.958 1.00 0.00 C ATOM 1198 CD1 TYR A 356 13.744 -5.017 7.225 1.00 0.00 C ATOM 1199 CD2 TYR A 356 14.145 -7.413 7.338 1.00 0.00 C ATOM 1200 CE1 TYR A 356 14.190 -5.023 5.894 1.00 0.00 C ATOM 1201 CE2 TYR A 356 14.557 -7.425 6.003 1.00 0.00 C ATOM 1202 CZ TYR A 356 14.602 -6.222 5.278 1.00 0.00 C ATOM 1203 OH TYR A 356 15.040 -6.221 3.990 1.00 0.00 O ATOM 0 H TYR A 356 12.558 -6.816 11.484 1.00 0.00 H new ATOM 0 HA TYR A 356 12.338 -4.439 9.896 1.00 0.00 H new ATOM 0 HB2 TYR A 356 14.197 -5.974 10.002 1.00 0.00 H new ATOM 0 HB3 TYR A 356 13.158 -7.340 9.645 1.00 0.00 H new ATOM 0 HD1 TYR A 356 13.406 -4.099 7.682 1.00 0.00 H new ATOM 0 HD2 TYR A 356 14.137 -8.334 7.901 1.00 0.00 H new ATOM 0 HE1 TYR A 356 14.218 -4.099 5.336 1.00 0.00 H new ATOM 0 HE2 TYR A 356 14.839 -8.354 5.531 1.00 0.00 H new ATOM 0 HH TYR A 356 14.582 -5.514 3.489 1.00 0.00 H new ATOM 1213 N ILE A 357 10.265 -4.659 8.576 1.00 0.00 N ATOM 1214 CA ILE A 357 9.047 -4.730 7.774 1.00 0.00 C ATOM 1215 C ILE A 357 9.229 -3.762 6.612 1.00 0.00 C ATOM 1216 O ILE A 357 9.992 -2.810 6.742 1.00 0.00 O ATOM 1217 CB ILE A 357 7.823 -4.345 8.617 1.00 0.00 C ATOM 1218 CG1 ILE A 357 7.579 -5.327 9.771 1.00 0.00 C ATOM 1219 CG2 ILE A 357 6.576 -4.305 7.733 1.00 0.00 C ATOM 1220 CD1 ILE A 357 7.199 -6.730 9.295 1.00 0.00 C ATOM 0 H ILE A 357 10.645 -3.716 8.655 1.00 0.00 H new ATOM 0 HA ILE A 357 8.877 -5.743 7.410 1.00 0.00 H new ATOM 0 HB ILE A 357 8.024 -3.362 9.044 1.00 0.00 H new ATOM 0 HG12 ILE A 357 8.478 -5.389 10.384 1.00 0.00 H new ATOM 0 HG13 ILE A 357 6.785 -4.939 10.409 1.00 0.00 H new ATOM 0 HG21 ILE A 357 5.711 -4.031 8.337 1.00 0.00 H new ATOM 0 HG22 ILE A 357 6.714 -3.568 6.942 1.00 0.00 H new ATOM 0 HG23 ILE A 357 6.413 -5.287 7.289 1.00 0.00 H new ATOM 0 HD11 ILE A 357 7.040 -7.376 10.158 1.00 0.00 H new ATOM 0 HD12 ILE A 357 6.283 -6.679 8.706 1.00 0.00 H new ATOM 0 HD13 ILE A 357 8.003 -7.136 8.681 1.00 0.00 H new ATOM 1232 N GLU A 358 8.551 -3.979 5.481 1.00 0.00 N ATOM 1233 CA GLU A 358 8.867 -3.195 4.297 1.00 0.00 C ATOM 1234 C GLU A 358 7.652 -2.867 3.443 1.00 0.00 C ATOM 1235 O GLU A 358 6.667 -3.599 3.450 1.00 0.00 O ATOM 1236 CB GLU A 358 9.888 -3.969 3.454 1.00 0.00 C ATOM 1237 CG GLU A 358 10.959 -4.655 4.307 1.00 0.00 C ATOM 1238 CD GLU A 358 12.050 -5.251 3.424 1.00 0.00 C ATOM 1239 OE1 GLU A 358 12.927 -4.471 2.994 1.00 0.00 O ATOM 1240 OE2 GLU A 358 11.996 -6.477 3.191 1.00 0.00 O ATOM 0 H GLU A 358 7.807 -4.667 5.366 1.00 0.00 H new ATOM 0 HA GLU A 358 9.270 -2.242 4.639 1.00 0.00 H new ATOM 0 HB2 GLU A 358 9.368 -4.719 2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 358 10.369 -3.285 2.755 1.00 0.00 H new ATOM 0 HG2 GLU A 358 11.397 -3.935 4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 358 10.503 -5.440 4.910 1.00 0.00 H new ATOM 1247 N LEU A 359 7.741 -1.753 2.707 1.00 0.00 N ATOM 1248 CA LEU A 359 6.725 -1.313 1.762 1.00 0.00 C ATOM 1249 C LEU A 359 7.377 -0.567 0.594 1.00 0.00 C ATOM 1250 O LEU A 359 8.402 0.092 0.766 1.00 0.00 O ATOM 1251 CB LEU A 359 5.635 -0.511 2.485 1.00 0.00 C ATOM 1252 CG LEU A 359 5.995 0.849 3.105 1.00 0.00 C ATOM 1253 CD1 LEU A 359 7.251 0.835 3.968 1.00 0.00 C ATOM 1254 CD2 LEU A 359 6.164 1.943 2.058 1.00 0.00 C ATOM 0 H LEU A 359 8.542 -1.123 2.758 1.00 0.00 H new ATOM 0 HA LEU A 359 6.221 -2.176 1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 359 4.824 -0.345 1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 359 5.238 -1.140 3.281 1.00 0.00 H new ATOM 0 HG LEU A 359 5.139 1.064 3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 359 7.431 1.834 4.365 1.00 0.00 H new ATOM 0 HD12 LEU A 359 7.118 0.135 4.793 1.00 0.00 H new ATOM 0 HD13 LEU A 359 8.104 0.526 3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 359 6.418 2.882 2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 359 6.963 1.667 1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 359 5.233 2.064 1.504 1.00 0.00 H new ATOM 1266 N PHE A 360 6.774 -0.677 -0.593 1.00 0.00 N ATOM 1267 CA PHE A 360 7.370 -0.247 -1.855 1.00 0.00 C ATOM 1268 C PHE A 360 6.281 0.425 -2.701 1.00 0.00 C ATOM 1269 O PHE A 360 5.202 -0.141 -2.879 1.00 0.00 O ATOM 1270 CB PHE A 360 7.926 -1.504 -2.549 1.00 0.00 C ATOM 1271 CG PHE A 360 9.338 -1.441 -3.101 1.00 0.00 C ATOM 1272 CD1 PHE A 360 9.731 -0.371 -3.920 1.00 0.00 C ATOM 1273 CD2 PHE A 360 10.268 -2.457 -2.809 1.00 0.00 C ATOM 1274 CE1 PHE A 360 11.017 -0.340 -4.474 1.00 0.00 C ATOM 1275 CE2 PHE A 360 11.540 -2.435 -3.377 1.00 0.00 C ATOM 1276 CZ PHE A 360 11.922 -1.377 -4.212 1.00 0.00 C ATOM 0 H PHE A 360 5.841 -1.075 -0.703 1.00 0.00 H new ATOM 0 HA PHE A 360 8.177 0.470 -1.708 1.00 0.00 H new ATOM 0 HB2 PHE A 360 7.881 -2.328 -1.836 1.00 0.00 H new ATOM 0 HB3 PHE A 360 7.256 -1.757 -3.371 1.00 0.00 H new ATOM 0 HD1 PHE A 360 9.038 0.432 -4.124 1.00 0.00 H new ATOM 0 HD2 PHE A 360 9.993 -3.259 -2.140 1.00 0.00 H new ATOM 0 HE1 PHE A 360 11.312 0.486 -5.105 1.00 0.00 H new ATOM 0 HE2 PHE A 360 12.234 -3.237 -3.173 1.00 0.00 H new ATOM 0 HZ PHE A 360 12.908 -1.361 -4.651 1.00 0.00 H new ATOM 1286 N LEU A 361 6.558 1.627 -3.222 1.00 0.00 N ATOM 1287 CA LEU A 361 5.575 2.455 -3.923 1.00 0.00 C ATOM 1288 C LEU A 361 4.999 1.750 -5.158 1.00 0.00 C ATOM 1289 O LEU A 361 5.698 0.998 -5.835 1.00 0.00 O ATOM 1290 CB LEU A 361 6.242 3.789 -4.299 1.00 0.00 C ATOM 1291 CG LEU A 361 5.362 5.023 -4.043 1.00 0.00 C ATOM 1292 CD1 LEU A 361 6.152 6.287 -4.375 1.00 0.00 C ATOM 1293 CD2 LEU A 361 4.098 5.039 -4.894 1.00 0.00 C ATOM 0 H LEU A 361 7.482 2.055 -3.167 1.00 0.00 H new ATOM 0 HA LEU A 361 4.729 2.638 -3.261 1.00 0.00 H new ATOM 0 HB2 LEU A 361 7.168 3.892 -3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 361 6.514 3.762 -5.354 1.00 0.00 H new ATOM 0 HG LEU A 361 5.072 4.984 -2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 361 5.529 7.163 -4.194 1.00 0.00 H new ATOM 0 HD12 LEU A 361 7.040 6.337 -3.745 1.00 0.00 H new ATOM 0 HD13 LEU A 361 6.451 6.264 -5.423 1.00 0.00 H new ATOM 0 HD21 LEU A 361 3.519 5.934 -4.668 1.00 0.00 H new ATOM 0 HD22 LEU A 361 4.370 5.040 -5.950 1.00 0.00 H new ATOM 0 HD23 LEU A 361 3.500 4.155 -4.674 1.00 0.00 H new ATOM 1305 N ASN A 362 3.716 1.997 -5.447 1.00 0.00 N ATOM 1306 CA ASN A 362 2.995 1.469 -6.593 1.00 0.00 C ATOM 1307 C ASN A 362 1.980 2.523 -7.065 1.00 0.00 C ATOM 1308 O ASN A 362 0.792 2.244 -7.242 1.00 0.00 O ATOM 1309 CB ASN A 362 2.331 0.156 -6.182 1.00 0.00 C ATOM 1310 CG ASN A 362 1.510 -0.434 -7.314 1.00 0.00 C ATOM 1311 OD1 ASN A 362 1.939 -0.463 -8.464 1.00 0.00 O ATOM 1312 ND2 ASN A 362 0.314 -0.910 -6.986 1.00 0.00 N ATOM 0 H ASN A 362 3.135 2.596 -4.860 1.00 0.00 H new ATOM 0 HA ASN A 362 3.662 1.258 -7.429 1.00 0.00 H new ATOM 0 HB2 ASN A 362 3.095 -0.558 -5.875 1.00 0.00 H new ATOM 0 HB3 ASN A 362 1.690 0.327 -5.318 1.00 0.00 H new ATOM 0 HD21 ASN A 362 -0.286 -1.319 -7.702 1.00 0.00 H new ATOM 0 HD22 ASN A 362 -0.004 -0.866 -6.018 1.00 0.00 H new ATOM 1319 N SER A 363 2.459 3.753 -7.271 1.00 0.00 N ATOM 1320 CA SER A 363 1.623 4.862 -7.700 1.00 0.00 C ATOM 1321 C SER A 363 2.463 6.013 -8.241 1.00 0.00 C ATOM 1322 O SER A 363 3.683 6.035 -8.100 1.00 0.00 O ATOM 1323 CB SER A 363 0.801 5.352 -6.509 1.00 0.00 C ATOM 1324 OG SER A 363 -0.090 6.363 -6.924 1.00 0.00 O ATOM 0 H SER A 363 3.440 4.001 -7.143 1.00 0.00 H new ATOM 0 HA SER A 363 0.969 4.514 -8.500 1.00 0.00 H new ATOM 0 HB2 SER A 363 0.245 4.522 -6.073 1.00 0.00 H new ATOM 0 HB3 SER A 363 1.463 5.735 -5.732 1.00 0.00 H new ATOM 0 HG SER A 363 -0.873 5.955 -7.349 1.00 0.00 H new ATOM 1330 N THR A 364 1.778 6.971 -8.866 1.00 0.00 N ATOM 1331 CA THR A 364 2.349 8.183 -9.416 1.00 0.00 C ATOM 1332 C THR A 364 1.263 9.257 -9.370 1.00 0.00 C ATOM 1333 O THR A 364 0.076 8.939 -9.427 1.00 0.00 O ATOM 1334 CB THR A 364 2.803 7.885 -10.845 1.00 0.00 C ATOM 1335 OG1 THR A 364 3.971 7.094 -10.829 1.00 0.00 O ATOM 1336 CG2 THR A 364 3.106 9.162 -11.611 1.00 0.00 C ATOM 0 H THR A 364 0.769 6.913 -9.004 1.00 0.00 H new ATOM 0 HA THR A 364 3.214 8.535 -8.854 1.00 0.00 H new ATOM 0 HB THR A 364 1.988 7.355 -11.338 1.00 0.00 H new ATOM 0 HG1 THR A 364 4.128 6.761 -9.921 1.00 0.00 H new ATOM 0 HG21 THR A 364 3.426 8.912 -12.623 1.00 0.00 H new ATOM 0 HG22 THR A 364 2.210 9.781 -11.656 1.00 0.00 H new ATOM 0 HG23 THR A 364 3.900 9.710 -11.104 1.00 0.00 H new ATOM 1344 N THR A 365 1.662 10.528 -9.265 1.00 0.00 N ATOM 1345 CA THR A 365 0.752 11.670 -9.162 1.00 0.00 C ATOM 1346 C THR A 365 -0.028 11.933 -10.459 1.00 0.00 C ATOM 1347 O THR A 365 -0.582 13.014 -10.652 1.00 0.00 O ATOM 1348 CB THR A 365 1.551 12.893 -8.698 1.00 0.00 C ATOM 1349 OG1 THR A 365 0.692 13.969 -8.391 1.00 0.00 O ATOM 1350 CG2 THR A 365 2.554 13.324 -9.763 1.00 0.00 C ATOM 0 H THR A 365 2.646 10.796 -9.249 1.00 0.00 H new ATOM 0 HA THR A 365 -0.016 11.442 -8.423 1.00 0.00 H new ATOM 0 HB THR A 365 2.094 12.608 -7.797 1.00 0.00 H new ATOM 0 HG1 THR A 365 0.027 14.071 -9.104 1.00 0.00 H new ATOM 0 HG21 THR A 365 3.108 14.194 -9.410 1.00 0.00 H new ATOM 0 HG22 THR A 365 3.248 12.507 -9.961 1.00 0.00 H new ATOM 0 HG23 THR A 365 2.023 13.580 -10.680 1.00 0.00 H new