USER MOD reduce.3.24.130724 H: found=0, std=0, add=286, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 287 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 Single : A 293 SER OG : rot 180:sc= 0 USER MOD Single : A 294 GLN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 306 GLN : amide:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 307 TYR OH : rot 150:sc= 0 USER MOD Single : A 310 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 320 THR OG1 : rot -32:sc= 0.727 USER MOD Single : A 323 ASN : amide:sc= -0.658 K(o=-0.66,f=0.0072) USER MOD Single : A 325 THR OG1 : rot 180:sc= 0 USER MOD Single : A 329 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.00537) USER MOD Single : A 334 GLN : amide:sc= -0.306 K(o=-0.31,f=-9.1!) USER MOD Single : A 336 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 337 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 339 GLN : amide:sc= -0.612 K(o=-0.61,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 133 N PRO A 287 10.695 2.010 -0.927 1.00 0.00 N ATOM 134 CA PRO A 287 10.063 0.813 -0.319 1.00 0.00 C ATOM 135 C PRO A 287 10.331 -0.434 -1.166 1.00 0.00 C ATOM 136 O PRO A 287 10.363 -0.379 -2.380 1.00 0.00 O ATOM 137 CB PRO A 287 8.577 1.155 -0.323 1.00 0.00 C ATOM 138 CG PRO A 287 8.409 2.147 -1.431 1.00 0.00 C ATOM 139 CD PRO A 287 9.713 2.890 -1.569 1.00 0.00 C ATOM 0 HA PRO A 287 10.448 0.590 0.676 1.00 0.00 H new ATOM 0 HB2 PRO A 287 7.968 0.267 -0.493 1.00 0.00 H new ATOM 0 HB3 PRO A 287 8.267 1.576 0.633 1.00 0.00 H new ATOM 0 HG2 PRO A 287 8.154 1.643 -2.363 1.00 0.00 H new ATOM 0 HG3 PRO A 287 7.595 2.837 -1.209 1.00 0.00 H new ATOM 0 HD2 PRO A 287 9.961 3.069 -2.615 1.00 0.00 H new ATOM 0 HD3 PRO A 287 9.671 3.864 -1.081 1.00 0.00 H new ATOM 147 N GLU A 288 10.513 -1.563 -0.535 1.00 0.00 N ATOM 148 CA GLU A 288 10.767 -2.817 -1.303 1.00 0.00 C ATOM 149 C GLU A 288 9.436 -3.415 -1.770 1.00 0.00 C ATOM 150 O GLU A 288 9.233 -3.668 -2.942 1.00 0.00 O ATOM 151 CB GLU A 288 11.458 -3.758 -0.313 1.00 0.00 C ATOM 152 CG GLU A 288 12.032 -4.961 -1.065 1.00 0.00 C ATOM 153 CD GLU A 288 12.886 -5.800 -0.111 1.00 0.00 C ATOM 154 OE1 GLU A 288 12.341 -6.293 0.862 1.00 0.00 O ATOM 155 OE2 GLU A 288 14.070 -5.935 -0.372 1.00 0.00 O ATOM 0 H GLU A 288 10.497 -1.671 0.479 1.00 0.00 H new ATOM 0 HA GLU A 288 11.376 -2.646 -2.191 1.00 0.00 H new ATOM 0 HB2 GLU A 288 12.255 -3.230 0.211 1.00 0.00 H new ATOM 0 HB3 GLU A 288 10.747 -4.094 0.442 1.00 0.00 H new ATOM 0 HG2 GLU A 288 11.224 -5.567 -1.474 1.00 0.00 H new ATOM 0 HG3 GLU A 288 12.635 -4.623 -1.908 1.00 0.00 H new ATOM 162 N ARG A 289 8.528 -3.636 -0.859 1.00 0.00 N ATOM 163 CA ARG A 289 7.207 -4.212 -1.238 1.00 0.00 C ATOM 164 C ARG A 289 6.242 -4.124 -0.054 1.00 0.00 C ATOM 165 O ARG A 289 6.630 -3.787 1.049 1.00 0.00 O ATOM 166 CB ARG A 289 7.493 -5.672 -1.589 1.00 0.00 C ATOM 167 CG ARG A 289 8.004 -6.406 -0.348 1.00 0.00 C ATOM 168 CD ARG A 289 8.950 -7.531 -0.771 1.00 0.00 C ATOM 169 NE ARG A 289 8.267 -8.201 -1.912 1.00 0.00 N ATOM 170 CZ ARG A 289 8.940 -8.989 -2.704 1.00 0.00 C ATOM 171 NH1 ARG A 289 9.398 -10.126 -2.257 1.00 0.00 N ATOM 172 NH2 ARG A 289 9.160 -8.639 -3.942 1.00 0.00 N ATOM 0 H ARG A 289 8.645 -3.442 0.135 1.00 0.00 H new ATOM 0 HA ARG A 289 6.746 -3.680 -2.070 1.00 0.00 H new ATOM 0 HB2 ARG A 289 6.587 -6.152 -1.961 1.00 0.00 H new ATOM 0 HB3 ARG A 289 8.233 -5.727 -2.387 1.00 0.00 H new ATOM 0 HG2 ARG A 289 8.522 -5.710 0.311 1.00 0.00 H new ATOM 0 HG3 ARG A 289 7.166 -6.815 0.216 1.00 0.00 H new ATOM 0 HD2 ARG A 289 9.922 -7.138 -1.069 1.00 0.00 H new ATOM 0 HD3 ARG A 289 9.125 -8.228 0.048 1.00 0.00 H new ATOM 0 HE ARG A 289 7.272 -8.044 -2.074 1.00 0.00 H new ATOM 0 HH11 ARG A 289 9.230 -10.398 -1.289 1.00 0.00 H new ATOM 0 HH12 ARG A 289 9.924 -10.743 -2.876 1.00 0.00 H new ATOM 0 HH21 ARG A 289 8.806 -7.748 -4.291 1.00 0.00 H new ATOM 0 HH22 ARG A 289 9.686 -9.256 -4.561 1.00 0.00 H new ATOM 186 N ILE A 290 4.990 -4.423 -0.267 1.00 0.00 N ATOM 187 CA ILE A 290 4.014 -4.354 0.858 1.00 0.00 C ATOM 188 C ILE A 290 4.000 -5.677 1.622 1.00 0.00 C ATOM 189 O ILE A 290 4.192 -6.736 1.059 1.00 0.00 O ATOM 190 CB ILE A 290 2.649 -4.111 0.213 1.00 0.00 C ATOM 191 CG1 ILE A 290 2.771 -3.081 -0.914 1.00 0.00 C ATOM 192 CG2 ILE A 290 1.676 -3.589 1.272 1.00 0.00 C ATOM 193 CD1 ILE A 290 3.363 -1.786 -0.367 1.00 0.00 C ATOM 0 H ILE A 290 4.602 -4.710 -1.165 1.00 0.00 H new ATOM 0 HA ILE A 290 4.273 -3.566 1.565 1.00 0.00 H new ATOM 0 HB ILE A 290 2.280 -5.049 -0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 290 3.403 -3.473 -1.711 1.00 0.00 H new ATOM 0 HG13 ILE A 290 1.791 -2.888 -1.351 1.00 0.00 H new ATOM 0 HG21 ILE A 290 0.701 -3.414 0.816 1.00 0.00 H new ATOM 0 HG22 ILE A 290 1.577 -4.325 2.070 1.00 0.00 H new ATOM 0 HG23 ILE A 290 2.056 -2.655 1.686 1.00 0.00 H new ATOM 0 HD11 ILE A 290 3.448 -1.056 -1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 290 2.714 -1.391 0.414 1.00 0.00 H new ATOM 0 HD13 ILE A 290 4.351 -1.985 0.048 1.00 0.00 H new ATOM 205 N ILE A 291 3.763 -5.622 2.901 1.00 0.00 N ATOM 206 CA ILE A 291 3.722 -6.877 3.709 1.00 0.00 C ATOM 207 C ILE A 291 2.345 -7.024 4.349 1.00 0.00 C ATOM 208 O ILE A 291 1.854 -8.116 4.553 1.00 0.00 O ATOM 209 CB ILE A 291 4.803 -6.746 4.796 1.00 0.00 C ATOM 210 CG1 ILE A 291 5.301 -5.297 4.915 1.00 0.00 C ATOM 211 CG2 ILE A 291 5.977 -7.651 4.440 1.00 0.00 C ATOM 212 CD1 ILE A 291 6.527 -5.255 5.828 1.00 0.00 C ATOM 0 H ILE A 291 3.595 -4.763 3.425 1.00 0.00 H new ATOM 0 HA ILE A 291 3.905 -7.755 3.090 1.00 0.00 H new ATOM 0 HB ILE A 291 4.369 -7.039 5.752 1.00 0.00 H new ATOM 0 HG12 ILE A 291 5.554 -4.906 3.930 1.00 0.00 H new ATOM 0 HG13 ILE A 291 4.512 -4.662 5.317 1.00 0.00 H new ATOM 0 HG21 ILE A 291 6.748 -7.564 5.205 1.00 0.00 H new ATOM 0 HG22 ILE A 291 5.636 -8.685 4.384 1.00 0.00 H new ATOM 0 HG23 ILE A 291 6.388 -7.352 3.476 1.00 0.00 H new ATOM 0 HD11 ILE A 291 6.882 -4.228 5.914 1.00 0.00 H new ATOM 0 HD12 ILE A 291 6.258 -5.630 6.816 1.00 0.00 H new ATOM 0 HD13 ILE A 291 7.316 -5.877 5.406 1.00 0.00 H new ATOM 224 N ASP A 292 1.718 -5.927 4.665 1.00 0.00 N ATOM 225 CA ASP A 292 0.371 -5.993 5.290 1.00 0.00 C ATOM 226 C ASP A 292 -0.358 -4.660 5.103 1.00 0.00 C ATOM 227 O ASP A 292 0.230 -3.672 4.709 1.00 0.00 O ATOM 228 CB ASP A 292 0.635 -6.262 6.772 1.00 0.00 C ATOM 229 CG ASP A 292 -0.683 -6.597 7.471 1.00 0.00 C ATOM 230 OD1 ASP A 292 -1.661 -6.816 6.776 1.00 0.00 O ATOM 231 OD2 ASP A 292 -0.691 -6.629 8.691 1.00 0.00 O ATOM 0 H ASP A 292 2.082 -4.986 4.517 1.00 0.00 H new ATOM 0 HA ASP A 292 -0.258 -6.764 4.845 1.00 0.00 H new ATOM 0 HB2 ASP A 292 1.338 -7.087 6.883 1.00 0.00 H new ATOM 0 HB3 ASP A 292 1.093 -5.388 7.235 1.00 0.00 H new ATOM 236 N SER A 293 -1.630 -4.621 5.384 1.00 0.00 N ATOM 237 CA SER A 293 -2.387 -3.347 5.224 1.00 0.00 C ATOM 238 C SER A 293 -3.175 -3.035 6.500 1.00 0.00 C ATOM 239 O SER A 293 -3.573 -3.924 7.226 1.00 0.00 O ATOM 240 CB SER A 293 -3.334 -3.593 4.050 1.00 0.00 C ATOM 241 OG SER A 293 -3.795 -4.938 4.094 1.00 0.00 O ATOM 0 H SER A 293 -2.178 -5.414 5.717 1.00 0.00 H new ATOM 0 HA SER A 293 -1.731 -2.496 5.044 1.00 0.00 H new ATOM 0 HB2 SER A 293 -4.178 -2.905 4.098 1.00 0.00 H new ATOM 0 HB3 SER A 293 -2.821 -3.403 3.107 1.00 0.00 H new ATOM 0 HG SER A 293 -4.404 -5.100 3.343 1.00 0.00 H new ATOM 247 N GLN A 294 -3.398 -1.779 6.780 1.00 0.00 N ATOM 248 CA GLN A 294 -4.156 -1.418 8.013 1.00 0.00 C ATOM 249 C GLN A 294 -5.148 -0.287 7.726 1.00 0.00 C ATOM 250 O GLN A 294 -4.819 0.879 7.822 1.00 0.00 O ATOM 251 CB GLN A 294 -3.093 -0.952 9.007 1.00 0.00 C ATOM 252 CG GLN A 294 -3.730 -0.769 10.386 1.00 0.00 C ATOM 253 CD GLN A 294 -2.790 0.038 11.282 1.00 0.00 C ATOM 254 OE1 GLN A 294 -3.223 0.912 12.005 1.00 0.00 O ATOM 255 NE2 GLN A 294 -1.511 -0.222 11.267 1.00 0.00 N ATOM 0 H GLN A 294 -3.090 -0.990 6.211 1.00 0.00 H new ATOM 0 HA GLN A 294 -4.738 -2.257 8.394 1.00 0.00 H new ATOM 0 HB2 GLN A 294 -2.286 -1.682 9.062 1.00 0.00 H new ATOM 0 HB3 GLN A 294 -2.652 -0.014 8.671 1.00 0.00 H new ATOM 0 HG2 GLN A 294 -4.687 -0.256 10.290 1.00 0.00 H new ATOM 0 HG3 GLN A 294 -3.933 -1.741 10.836 1.00 0.00 H new ATOM 0 HE21 GLN A 294 -1.147 -0.956 10.660 1.00 0.00 H new ATOM 0 HE22 GLN A 294 -0.876 0.309 11.863 1.00 0.00 H new ATOM 404 N LEU A 305 -6.188 4.871 5.876 1.00 0.00 N ATOM 405 CA LEU A 305 -5.645 3.586 5.351 1.00 0.00 C ATOM 406 C LEU A 305 -4.115 3.627 5.330 1.00 0.00 C ATOM 407 O LEU A 305 -3.517 4.625 4.975 1.00 0.00 O ATOM 408 CB LEU A 305 -6.201 3.475 3.932 1.00 0.00 C ATOM 409 CG LEU A 305 -5.409 2.427 3.153 1.00 0.00 C ATOM 410 CD1 LEU A 305 -5.543 1.068 3.839 1.00 0.00 C ATOM 411 CD2 LEU A 305 -5.949 2.335 1.724 1.00 0.00 C ATOM 0 HA LEU A 305 -5.929 2.733 5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 305 -7.255 3.199 3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 305 -6.139 4.440 3.430 1.00 0.00 H new ATOM 0 HG LEU A 305 -4.358 2.715 3.125 1.00 0.00 H new ATOM 0 HD11 LEU A 305 -4.977 0.322 3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 305 -5.154 1.134 4.855 1.00 0.00 H new ATOM 0 HD13 LEU A 305 -6.593 0.778 3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 305 -5.383 1.587 1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 305 -7.001 2.049 1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 305 -5.848 3.303 1.234 1.00 0.00 H new ATOM 423 N GLN A 306 -3.477 2.553 5.706 1.00 0.00 N ATOM 424 CA GLN A 306 -1.986 2.533 5.705 1.00 0.00 C ATOM 425 C GLN A 306 -1.469 1.160 5.262 1.00 0.00 C ATOM 426 O GLN A 306 -2.029 0.137 5.596 1.00 0.00 O ATOM 427 CB GLN A 306 -1.589 2.812 7.156 1.00 0.00 C ATOM 428 CG GLN A 306 -2.175 4.154 7.602 1.00 0.00 C ATOM 429 CD GLN A 306 -1.894 4.361 9.091 1.00 0.00 C ATOM 430 OE1 GLN A 306 -1.387 5.391 9.489 1.00 0.00 O ATOM 431 NE2 GLN A 306 -2.206 3.418 9.938 1.00 0.00 N ATOM 0 H GLN A 306 -3.923 1.689 6.014 1.00 0.00 H new ATOM 0 HA GLN A 306 -1.565 3.265 5.015 1.00 0.00 H new ATOM 0 HB2 GLN A 306 -1.952 2.013 7.803 1.00 0.00 H new ATOM 0 HB3 GLN A 306 -0.503 2.829 7.249 1.00 0.00 H new ATOM 0 HG2 GLN A 306 -1.737 4.966 7.022 1.00 0.00 H new ATOM 0 HG3 GLN A 306 -3.249 4.174 7.417 1.00 0.00 H new ATOM 0 HE21 GLN A 306 -2.632 2.553 9.604 1.00 0.00 H new ATOM 0 HE22 GLN A 306 -2.024 3.546 10.933 1.00 0.00 H new ATOM 440 N TYR A 307 -0.399 1.136 4.513 1.00 0.00 N ATOM 441 CA TYR A 307 0.167 -0.165 4.049 1.00 0.00 C ATOM 442 C TYR A 307 1.515 -0.425 4.728 1.00 0.00 C ATOM 443 O TYR A 307 2.334 0.463 4.858 1.00 0.00 O ATOM 444 CB TYR A 307 0.374 0.004 2.542 1.00 0.00 C ATOM 445 CG TYR A 307 -0.868 -0.408 1.785 1.00 0.00 C ATOM 446 CD1 TYR A 307 -2.087 -0.574 2.454 1.00 0.00 C ATOM 447 CD2 TYR A 307 -0.794 -0.626 0.405 1.00 0.00 C ATOM 448 CE1 TYR A 307 -3.230 -0.956 1.740 1.00 0.00 C ATOM 449 CE2 TYR A 307 -1.936 -1.007 -0.308 1.00 0.00 C ATOM 450 CZ TYR A 307 -3.154 -1.173 0.360 1.00 0.00 C ATOM 451 OH TYR A 307 -4.280 -1.552 -0.343 1.00 0.00 O ATOM 0 H TYR A 307 0.109 1.964 4.201 1.00 0.00 H new ATOM 0 HA TYR A 307 -0.489 -1.002 4.287 1.00 0.00 H new ATOM 0 HB2 TYR A 307 0.616 1.043 2.317 1.00 0.00 H new ATOM 0 HB3 TYR A 307 1.222 -0.599 2.216 1.00 0.00 H new ATOM 0 HD1 TYR A 307 -2.146 -0.408 3.519 1.00 0.00 H new ATOM 0 HD2 TYR A 307 0.146 -0.500 -0.111 1.00 0.00 H new ATOM 0 HE1 TYR A 307 -4.171 -1.083 2.255 1.00 0.00 H new ATOM 0 HE2 TYR A 307 -1.877 -1.173 -1.374 1.00 0.00 H new ATOM 0 HH TYR A 307 -4.222 -1.214 -1.261 1.00 0.00 H new ATOM 461 N LEU A 308 1.763 -1.636 5.143 1.00 0.00 N ATOM 462 CA LEU A 308 3.070 -1.944 5.790 1.00 0.00 C ATOM 463 C LEU A 308 4.121 -2.201 4.705 1.00 0.00 C ATOM 464 O LEU A 308 3.963 -3.076 3.877 1.00 0.00 O ATOM 465 CB LEU A 308 2.819 -3.208 6.613 1.00 0.00 C ATOM 466 CG LEU A 308 4.024 -3.481 7.514 1.00 0.00 C ATOM 467 CD1 LEU A 308 4.048 -2.468 8.660 1.00 0.00 C ATOM 468 CD2 LEU A 308 3.914 -4.894 8.089 1.00 0.00 C ATOM 0 H LEU A 308 1.120 -2.424 5.063 1.00 0.00 H new ATOM 0 HA LEU A 308 3.437 -1.130 6.414 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.920 -3.088 7.217 1.00 0.00 H new ATOM 0 HB3 LEU A 308 2.647 -4.057 5.951 1.00 0.00 H new ATOM 0 HG LEU A 308 4.941 -3.391 6.932 1.00 0.00 H new ATOM 0 HD11 LEU A 308 4.907 -2.664 9.301 1.00 0.00 H new ATOM 0 HD12 LEU A 308 4.122 -1.460 8.253 1.00 0.00 H new ATOM 0 HD13 LEU A 308 3.132 -2.557 9.244 1.00 0.00 H new ATOM 0 HD21 LEU A 308 4.771 -5.093 8.732 1.00 0.00 H new ATOM 0 HD22 LEU A 308 2.996 -4.980 8.671 1.00 0.00 H new ATOM 0 HD23 LEU A 308 3.896 -5.618 7.274 1.00 0.00 H new ATOM 480 N VAL A 309 5.182 -1.439 4.687 1.00 0.00 N ATOM 481 CA VAL A 309 6.217 -1.646 3.631 1.00 0.00 C ATOM 482 C VAL A 309 7.571 -2.006 4.247 1.00 0.00 C ATOM 483 O VAL A 309 7.863 -1.668 5.377 1.00 0.00 O ATOM 484 CB VAL A 309 6.310 -0.308 2.899 1.00 0.00 C ATOM 485 CG1 VAL A 309 7.124 -0.487 1.615 1.00 0.00 C ATOM 486 CG2 VAL A 309 4.904 0.184 2.549 1.00 0.00 C ATOM 0 H VAL A 309 5.377 -0.689 5.350 1.00 0.00 H new ATOM 0 HA VAL A 309 5.951 -2.468 2.966 1.00 0.00 H new ATOM 0 HB VAL A 309 6.799 0.424 3.541 1.00 0.00 H new ATOM 0 HG11 VAL A 309 7.192 0.466 1.091 1.00 0.00 H new ATOM 0 HG12 VAL A 309 8.126 -0.835 1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 309 6.635 -1.220 0.973 1.00 0.00 H new ATOM 0 HG21 VAL A 309 4.972 1.138 2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 309 4.412 -0.547 1.907 1.00 0.00 H new ATOM 0 HG23 VAL A 309 4.325 0.311 3.464 1.00 0.00 H new ATOM 496 N LYS A 310 8.403 -2.682 3.501 1.00 0.00 N ATOM 497 CA LYS A 310 9.746 -3.060 4.026 1.00 0.00 C ATOM 498 C LYS A 310 10.831 -2.240 3.321 1.00 0.00 C ATOM 499 O LYS A 310 11.342 -2.625 2.287 1.00 0.00 O ATOM 500 CB LYS A 310 9.899 -4.547 3.701 1.00 0.00 C ATOM 501 CG LYS A 310 11.351 -4.973 3.925 1.00 0.00 C ATOM 502 CD LYS A 310 11.404 -6.071 4.989 1.00 0.00 C ATOM 503 CE LYS A 310 11.635 -7.426 4.315 1.00 0.00 C ATOM 504 NZ LYS A 310 10.524 -8.292 4.800 1.00 0.00 N ATOM 0 H LYS A 310 8.209 -2.989 2.548 1.00 0.00 H new ATOM 0 HA LYS A 310 9.843 -2.869 5.095 1.00 0.00 H new ATOM 0 HB2 LYS A 310 9.234 -5.138 4.331 1.00 0.00 H new ATOM 0 HB3 LYS A 310 9.609 -4.736 2.667 1.00 0.00 H new ATOM 0 HG2 LYS A 310 11.783 -5.335 2.992 1.00 0.00 H new ATOM 0 HG3 LYS A 310 11.947 -4.117 4.241 1.00 0.00 H new ATOM 0 HD2 LYS A 310 12.205 -5.865 5.699 1.00 0.00 H new ATOM 0 HD3 LYS A 310 10.473 -6.089 5.555 1.00 0.00 H new ATOM 0 HE2 LYS A 310 11.619 -7.334 3.229 1.00 0.00 H new ATOM 0 HE3 LYS A 310 12.606 -7.841 4.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 310 10.614 -9.239 4.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 310 10.569 -8.366 5.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 310 9.612 -7.876 4.522 1.00 0.00 H new ATOM 681 N THR A 320 7.904 -0.754 8.368 1.00 0.00 N ATOM 682 CA THR A 320 6.985 0.021 9.250 1.00 0.00 C ATOM 683 C THR A 320 5.632 0.213 8.563 1.00 0.00 C ATOM 684 O THR A 320 5.298 -0.480 7.623 1.00 0.00 O ATOM 685 CB THR A 320 7.677 1.369 9.465 1.00 0.00 C ATOM 686 OG1 THR A 320 8.280 1.790 8.248 1.00 0.00 O ATOM 687 CG2 THR A 320 8.750 1.227 10.546 1.00 0.00 C ATOM 0 HA THR A 320 6.792 -0.489 10.194 1.00 0.00 H new ATOM 0 HB THR A 320 6.942 2.109 9.781 1.00 0.00 H new ATOM 0 HG1 THR A 320 8.572 1.005 7.739 1.00 0.00 H new ATOM 0 HG21 THR A 320 9.242 2.187 10.698 1.00 0.00 H new ATOM 0 HG22 THR A 320 8.287 0.905 11.478 1.00 0.00 H new ATOM 0 HG23 THR A 320 9.487 0.487 10.232 1.00 0.00 H new ATOM 695 N TRP A 321 4.847 1.147 9.027 1.00 0.00 N ATOM 696 CA TRP A 321 3.513 1.376 8.402 1.00 0.00 C ATOM 697 C TRP A 321 3.450 2.757 7.745 1.00 0.00 C ATOM 698 O TRP A 321 3.887 3.745 8.303 1.00 0.00 O ATOM 699 CB TRP A 321 2.519 1.296 9.561 1.00 0.00 C ATOM 700 CG TRP A 321 2.090 -0.123 9.751 1.00 0.00 C ATOM 701 CD1 TRP A 321 2.470 -0.917 10.776 1.00 0.00 C ATOM 702 CD2 TRP A 321 1.213 -0.926 8.912 1.00 0.00 C ATOM 703 NE1 TRP A 321 1.877 -2.159 10.622 1.00 0.00 N ATOM 704 CE2 TRP A 321 1.093 -2.212 9.486 1.00 0.00 C ATOM 705 CE3 TRP A 321 0.513 -0.664 7.721 1.00 0.00 C ATOM 706 CZ2 TRP A 321 0.308 -3.205 8.897 1.00 0.00 C ATOM 707 CZ3 TRP A 321 -0.276 -1.660 7.126 1.00 0.00 C ATOM 708 CH2 TRP A 321 -0.378 -2.927 7.713 1.00 0.00 C ATOM 0 H TRP A 321 5.071 1.760 9.810 1.00 0.00 H new ATOM 0 HA TRP A 321 3.300 0.648 7.620 1.00 0.00 H new ATOM 0 HB2 TRP A 321 2.978 1.674 10.475 1.00 0.00 H new ATOM 0 HB3 TRP A 321 1.653 1.925 9.356 1.00 0.00 H new ATOM 0 HD1 TRP A 321 3.128 -0.630 11.583 1.00 0.00 H new ATOM 0 HE1 TRP A 321 2.004 -2.938 11.268 1.00 0.00 H new ATOM 0 HE3 TRP A 321 0.583 0.311 7.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 321 0.232 -4.181 9.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 321 -0.808 -1.448 6.210 1.00 0.00 H new ATOM 0 HH2 TRP A 321 -0.987 -3.689 7.250 1.00 0.00 H new ATOM 719 N GLU A 322 2.897 2.829 6.567 1.00 0.00 N ATOM 720 CA GLU A 322 2.783 4.139 5.863 1.00 0.00 C ATOM 721 C GLU A 322 1.419 4.226 5.176 1.00 0.00 C ATOM 722 O GLU A 322 0.820 3.224 4.852 1.00 0.00 O ATOM 723 CB GLU A 322 3.907 4.135 4.826 1.00 0.00 C ATOM 724 CG GLU A 322 5.174 4.731 5.442 1.00 0.00 C ATOM 725 CD GLU A 322 5.795 3.723 6.412 1.00 0.00 C ATOM 726 OE1 GLU A 322 5.989 2.588 6.011 1.00 0.00 O ATOM 727 OE2 GLU A 322 6.062 4.105 7.540 1.00 0.00 O ATOM 0 H GLU A 322 2.516 2.032 6.057 1.00 0.00 H new ATOM 0 HA GLU A 322 2.866 4.990 6.539 1.00 0.00 H new ATOM 0 HB2 GLU A 322 4.099 3.117 4.487 1.00 0.00 H new ATOM 0 HB3 GLU A 322 3.610 4.712 3.950 1.00 0.00 H new ATOM 0 HG2 GLU A 322 5.888 4.984 4.658 1.00 0.00 H new ATOM 0 HG3 GLU A 322 4.935 5.656 5.966 1.00 0.00 H new ATOM 734 N ASN A 323 0.918 5.407 4.949 1.00 0.00 N ATOM 735 CA ASN A 323 -0.405 5.529 4.282 1.00 0.00 C ATOM 736 C ASN A 323 -0.397 4.739 2.974 1.00 0.00 C ATOM 737 O ASN A 323 0.520 4.840 2.184 1.00 0.00 O ATOM 738 CB ASN A 323 -0.572 7.024 4.010 1.00 0.00 C ATOM 739 CG ASN A 323 -0.668 7.774 5.340 1.00 0.00 C ATOM 740 OD1 ASN A 323 -1.745 7.947 5.876 1.00 0.00 O ATOM 741 ND2 ASN A 323 0.419 8.229 5.899 1.00 0.00 N ATOM 0 H ASN A 323 1.366 6.290 5.196 1.00 0.00 H new ATOM 0 HA ASN A 323 -1.220 5.136 4.889 1.00 0.00 H new ATOM 0 HB2 ASN A 323 0.273 7.396 3.430 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -1.469 7.199 3.415 1.00 0.00 H new ATOM 0 HD21 ASN A 323 0.365 8.730 6.786 1.00 0.00 H new ATOM 0 HD22 ASN A 323 1.323 8.084 5.449 1.00 0.00 H new ATOM 748 N ALA A 324 -1.415 3.964 2.730 1.00 0.00 N ATOM 749 CA ALA A 324 -1.458 3.188 1.462 1.00 0.00 C ATOM 750 C ALA A 324 -1.506 4.168 0.298 1.00 0.00 C ATOM 751 O ALA A 324 -1.242 3.827 -0.835 1.00 0.00 O ATOM 752 CB ALA A 324 -2.746 2.368 1.532 1.00 0.00 C ATOM 0 H ALA A 324 -2.215 3.835 3.350 1.00 0.00 H new ATOM 0 HA ALA A 324 -0.591 2.542 1.325 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -2.845 1.768 0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -2.712 1.711 2.401 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -3.600 3.039 1.618 1.00 0.00 H new ATOM 758 N THR A 325 -1.830 5.395 0.584 1.00 0.00 N ATOM 759 CA THR A 325 -1.890 6.423 -0.486 1.00 0.00 C ATOM 760 C THR A 325 -0.469 6.876 -0.829 1.00 0.00 C ATOM 761 O THR A 325 -0.094 6.965 -1.981 1.00 0.00 O ATOM 762 CB THR A 325 -2.716 7.558 0.126 1.00 0.00 C ATOM 763 OG1 THR A 325 -4.092 7.342 -0.160 1.00 0.00 O ATOM 764 CG2 THR A 325 -2.281 8.905 -0.447 1.00 0.00 C ATOM 0 H THR A 325 -2.057 5.732 1.520 1.00 0.00 H new ATOM 0 HA THR A 325 -2.335 6.066 -1.415 1.00 0.00 H new ATOM 0 HB THR A 325 -2.557 7.570 1.204 1.00 0.00 H new ATOM 0 HG1 THR A 325 -4.625 8.065 0.231 1.00 0.00 H new ATOM 0 HG21 THR A 325 -2.878 9.700 -0.001 1.00 0.00 H new ATOM 0 HG22 THR A 325 -1.228 9.073 -0.222 1.00 0.00 H new ATOM 0 HG23 THR A 325 -2.426 8.905 -1.527 1.00 0.00 H new ATOM 772 N ASP A 326 0.327 7.146 0.167 1.00 0.00 N ATOM 773 CA ASP A 326 1.726 7.573 -0.099 1.00 0.00 C ATOM 774 C ASP A 326 2.471 6.442 -0.805 1.00 0.00 C ATOM 775 O ASP A 326 3.075 6.633 -1.840 1.00 0.00 O ATOM 776 CB ASP A 326 2.335 7.837 1.278 1.00 0.00 C ATOM 777 CG ASP A 326 2.207 9.323 1.617 1.00 0.00 C ATOM 778 OD1 ASP A 326 1.118 9.854 1.467 1.00 0.00 O ATOM 779 OD2 ASP A 326 3.200 9.905 2.021 1.00 0.00 O ATOM 0 H ASP A 326 0.069 7.089 1.152 1.00 0.00 H new ATOM 0 HA ASP A 326 1.783 8.455 -0.736 1.00 0.00 H new ATOM 0 HB2 ASP A 326 1.828 7.236 2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 326 3.384 7.540 1.286 1.00 0.00 H new ATOM 784 N ILE A 327 2.419 5.259 -0.256 1.00 0.00 N ATOM 785 CA ILE A 327 3.113 4.110 -0.902 1.00 0.00 C ATOM 786 C ILE A 327 2.539 3.887 -2.302 1.00 0.00 C ATOM 787 O ILE A 327 3.233 3.469 -3.205 1.00 0.00 O ATOM 788 CB ILE A 327 2.846 2.916 0.012 1.00 0.00 C ATOM 789 CG1 ILE A 327 3.627 3.105 1.312 1.00 0.00 C ATOM 790 CG2 ILE A 327 3.314 1.629 -0.670 1.00 0.00 C ATOM 791 CD1 ILE A 327 5.093 3.388 0.978 1.00 0.00 C ATOM 0 H ILE A 327 1.927 5.039 0.610 1.00 0.00 H new ATOM 0 HA ILE A 327 4.183 4.275 -1.025 1.00 0.00 H new ATOM 0 HB ILE A 327 1.778 2.847 0.220 1.00 0.00 H new ATOM 0 HG12 ILE A 327 3.206 3.930 1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 327 3.548 2.212 1.932 1.00 0.00 H new ATOM 0 HG21 ILE A 327 3.122 0.779 -0.015 1.00 0.00 H new ATOM 0 HG22 ILE A 327 2.772 1.495 -1.606 1.00 0.00 H new ATOM 0 HG23 ILE A 327 4.382 1.694 -0.876 1.00 0.00 H new ATOM 0 HD11 ILE A 327 5.657 3.524 1.901 1.00 0.00 H new ATOM 0 HD12 ILE A 327 5.508 2.549 0.420 1.00 0.00 H new ATOM 0 HD13 ILE A 327 5.161 4.293 0.375 1.00 0.00 H new ATOM 803 N VAL A 328 1.284 4.187 -2.502 1.00 0.00 N ATOM 804 CA VAL A 328 0.700 4.017 -3.862 1.00 0.00 C ATOM 805 C VAL A 328 1.466 4.928 -4.820 1.00 0.00 C ATOM 806 O VAL A 328 1.825 4.549 -5.915 1.00 0.00 O ATOM 807 CB VAL A 328 -0.765 4.452 -3.727 1.00 0.00 C ATOM 808 CG1 VAL A 328 -1.284 4.988 -5.065 1.00 0.00 C ATOM 809 CG2 VAL A 328 -1.606 3.248 -3.311 1.00 0.00 C ATOM 0 H VAL A 328 0.644 4.539 -1.790 1.00 0.00 H new ATOM 0 HA VAL A 328 0.763 2.998 -4.245 1.00 0.00 H new ATOM 0 HB VAL A 328 -0.836 5.239 -2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -2.325 5.293 -4.956 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -0.684 5.845 -5.371 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -1.213 4.207 -5.822 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -2.649 3.549 -3.213 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -1.523 2.468 -4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -1.247 2.866 -2.355 1.00 0.00 H new ATOM 819 N LYS A 329 1.733 6.128 -4.389 1.00 0.00 N ATOM 820 CA LYS A 329 2.497 7.085 -5.238 1.00 0.00 C ATOM 821 C LYS A 329 3.994 6.798 -5.097 1.00 0.00 C ATOM 822 O LYS A 329 4.712 6.685 -6.071 1.00 0.00 O ATOM 823 CB LYS A 329 2.157 8.469 -4.682 1.00 0.00 C ATOM 824 CG LYS A 329 3.091 9.514 -5.294 1.00 0.00 C ATOM 825 CD LYS A 329 3.065 10.781 -4.439 1.00 0.00 C ATOM 826 CE LYS A 329 4.182 10.716 -3.395 1.00 0.00 C ATOM 827 NZ LYS A 329 5.397 11.212 -4.100 1.00 0.00 N ATOM 0 H LYS A 329 1.453 6.491 -3.478 1.00 0.00 H new ATOM 0 HA LYS A 329 2.246 7.008 -6.296 1.00 0.00 H new ATOM 0 HB2 LYS A 329 1.120 8.717 -4.908 1.00 0.00 H new ATOM 0 HB3 LYS A 329 2.256 8.470 -3.597 1.00 0.00 H new ATOM 0 HG2 LYS A 329 4.106 9.121 -5.351 1.00 0.00 H new ATOM 0 HG3 LYS A 329 2.780 9.743 -6.313 1.00 0.00 H new ATOM 0 HD2 LYS A 329 3.193 11.661 -5.070 1.00 0.00 H new ATOM 0 HD3 LYS A 329 2.098 10.880 -3.946 1.00 0.00 H new ATOM 0 HE2 LYS A 329 3.949 11.334 -2.528 1.00 0.00 H new ATOM 0 HE3 LYS A 329 4.324 9.698 -3.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 329 6.245 10.935 -3.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 329 5.438 10.799 -5.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 329 5.357 12.249 -4.173 1.00 0.00 H new ATOM 841 N LEU A 330 4.464 6.657 -3.887 1.00 0.00 N ATOM 842 CA LEU A 330 5.905 6.352 -3.673 1.00 0.00 C ATOM 843 C LEU A 330 6.233 5.028 -4.361 1.00 0.00 C ATOM 844 O LEU A 330 7.175 4.918 -5.121 1.00 0.00 O ATOM 845 CB LEU A 330 6.044 6.223 -2.158 1.00 0.00 C ATOM 846 CG LEU A 330 7.335 6.896 -1.694 1.00 0.00 C ATOM 847 CD1 LEU A 330 7.111 8.406 -1.599 1.00 0.00 C ATOM 848 CD2 LEU A 330 7.721 6.354 -0.316 1.00 0.00 C ATOM 0 H LEU A 330 3.909 6.741 -3.035 1.00 0.00 H new ATOM 0 HA LEU A 330 6.577 7.109 -4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 330 5.187 6.682 -1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 330 6.050 5.171 -1.873 1.00 0.00 H new ATOM 0 HG LEU A 330 8.134 6.688 -2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 330 8.030 8.890 -1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 330 6.828 8.794 -2.578 1.00 0.00 H new ATOM 0 HD13 LEU A 330 6.315 8.611 -0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 330 8.642 6.832 0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 330 6.923 6.567 0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 330 7.874 5.277 -0.378 1.00 0.00 H new ATOM 860 N ALA A 331 5.435 4.030 -4.106 1.00 0.00 N ATOM 861 CA ALA A 331 5.646 2.701 -4.739 1.00 0.00 C ATOM 862 C ALA A 331 4.297 2.155 -5.216 1.00 0.00 C ATOM 863 O ALA A 331 3.670 1.368 -4.535 1.00 0.00 O ATOM 864 CB ALA A 331 6.228 1.817 -3.636 1.00 0.00 C ATOM 0 H ALA A 331 4.634 4.081 -3.476 1.00 0.00 H new ATOM 0 HA ALA A 331 6.310 2.743 -5.603 1.00 0.00 H new ATOM 0 HB1 ALA A 331 6.411 0.817 -4.030 1.00 0.00 H new ATOM 0 HB2 ALA A 331 7.166 2.245 -3.284 1.00 0.00 H new ATOM 0 HB3 ALA A 331 5.523 1.757 -2.807 1.00 0.00 H new ATOM 870 N PRO A 332 3.887 2.610 -6.370 1.00 0.00 N ATOM 871 CA PRO A 332 2.587 2.180 -6.944 1.00 0.00 C ATOM 872 C PRO A 332 2.637 0.707 -7.360 1.00 0.00 C ATOM 873 O PRO A 332 1.875 -0.108 -6.880 1.00 0.00 O ATOM 874 CB PRO A 332 2.415 3.088 -8.162 1.00 0.00 C ATOM 875 CG PRO A 332 3.801 3.507 -8.529 1.00 0.00 C ATOM 876 CD PRO A 332 4.593 3.552 -7.247 1.00 0.00 C ATOM 0 HA PRO A 332 1.762 2.261 -6.237 1.00 0.00 H new ATOM 0 HB2 PRO A 332 1.932 2.559 -8.984 1.00 0.00 H new ATOM 0 HB3 PRO A 332 1.791 3.950 -7.927 1.00 0.00 H new ATOM 0 HG2 PRO A 332 4.244 2.803 -9.233 1.00 0.00 H new ATOM 0 HG3 PRO A 332 3.795 4.483 -9.015 1.00 0.00 H new ATOM 0 HD2 PRO A 332 5.629 3.252 -7.405 1.00 0.00 H new ATOM 0 HD3 PRO A 332 4.613 4.556 -6.823 1.00 0.00 H new ATOM 884 N GLU A 333 3.529 0.360 -8.247 1.00 0.00 N ATOM 885 CA GLU A 333 3.622 -1.060 -8.688 1.00 0.00 C ATOM 886 C GLU A 333 3.569 -1.989 -7.474 1.00 0.00 C ATOM 887 O GLU A 333 2.916 -3.013 -7.492 1.00 0.00 O ATOM 888 CB GLU A 333 4.975 -1.171 -9.391 1.00 0.00 C ATOM 889 CG GLU A 333 4.907 -2.267 -10.456 1.00 0.00 C ATOM 890 CD GLU A 333 6.301 -2.496 -11.040 1.00 0.00 C ATOM 891 OE1 GLU A 333 7.142 -1.628 -10.870 1.00 0.00 O ATOM 892 OE2 GLU A 333 6.506 -3.535 -11.645 1.00 0.00 O ATOM 0 H GLU A 333 4.195 0.996 -8.684 1.00 0.00 H new ATOM 0 HA GLU A 333 2.800 -1.345 -9.345 1.00 0.00 H new ATOM 0 HB2 GLU A 333 5.237 -0.218 -9.851 1.00 0.00 H new ATOM 0 HB3 GLU A 333 5.756 -1.401 -8.666 1.00 0.00 H new ATOM 0 HG2 GLU A 333 4.528 -3.191 -10.019 1.00 0.00 H new ATOM 0 HG3 GLU A 333 4.213 -1.979 -11.246 1.00 0.00 H new ATOM 899 N GLN A 334 4.246 -1.634 -6.418 1.00 0.00 N ATOM 900 CA GLN A 334 4.226 -2.495 -5.201 1.00 0.00 C ATOM 901 C GLN A 334 2.812 -2.531 -4.617 1.00 0.00 C ATOM 902 O GLN A 334 2.209 -3.579 -4.497 1.00 0.00 O ATOM 903 CB GLN A 334 5.202 -1.837 -4.227 1.00 0.00 C ATOM 904 CG GLN A 334 6.631 -2.271 -4.563 1.00 0.00 C ATOM 905 CD GLN A 334 7.288 -1.222 -5.460 1.00 0.00 C ATOM 906 OE1 GLN A 334 6.617 -0.540 -6.208 1.00 0.00 O ATOM 907 NE2 GLN A 334 8.583 -1.064 -5.419 1.00 0.00 N ATOM 0 H GLN A 334 4.811 -0.788 -6.344 1.00 0.00 H new ATOM 0 HA GLN A 334 4.510 -3.526 -5.413 1.00 0.00 H new ATOM 0 HB2 GLN A 334 5.117 -0.752 -4.288 1.00 0.00 H new ATOM 0 HB3 GLN A 334 4.956 -2.119 -3.203 1.00 0.00 H new ATOM 0 HG2 GLN A 334 7.209 -2.395 -3.647 1.00 0.00 H new ATOM 0 HG3 GLN A 334 6.619 -3.238 -5.066 1.00 0.00 H new ATOM 0 HE21 GLN A 334 9.147 -1.637 -4.791 1.00 0.00 H new ATOM 0 HE22 GLN A 334 9.031 -0.368 -6.015 1.00 0.00 H new ATOM 916 N VAL A 335 2.272 -1.396 -4.266 1.00 0.00 N ATOM 917 CA VAL A 335 0.891 -1.381 -3.706 1.00 0.00 C ATOM 918 C VAL A 335 -0.054 -2.077 -4.688 1.00 0.00 C ATOM 919 O VAL A 335 -0.885 -2.869 -4.299 1.00 0.00 O ATOM 920 CB VAL A 335 0.549 0.104 -3.524 1.00 0.00 C ATOM 921 CG1 VAL A 335 -0.961 0.342 -3.656 1.00 0.00 C ATOM 922 CG2 VAL A 335 0.996 0.544 -2.131 1.00 0.00 C ATOM 0 H VAL A 335 2.723 -0.485 -4.342 1.00 0.00 H new ATOM 0 HA VAL A 335 0.800 -1.911 -2.758 1.00 0.00 H new ATOM 0 HB VAL A 335 1.061 0.677 -4.297 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -1.175 1.402 -3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -1.294 0.026 -4.645 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -1.488 -0.233 -2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 335 0.759 1.598 -1.989 1.00 0.00 H new ATOM 0 HG22 VAL A 335 0.477 -0.050 -1.378 1.00 0.00 H new ATOM 0 HG23 VAL A 335 2.071 0.398 -2.031 1.00 0.00 H new ATOM 932 N LYS A 336 0.076 -1.809 -5.959 1.00 0.00 N ATOM 933 CA LYS A 336 -0.809 -2.491 -6.943 1.00 0.00 C ATOM 934 C LYS A 336 -0.589 -4.000 -6.838 1.00 0.00 C ATOM 935 O LYS A 336 -1.521 -4.767 -6.702 1.00 0.00 O ATOM 936 CB LYS A 336 -0.375 -1.968 -8.313 1.00 0.00 C ATOM 937 CG LYS A 336 -0.883 -2.911 -9.406 1.00 0.00 C ATOM 938 CD LYS A 336 -2.386 -3.138 -9.226 1.00 0.00 C ATOM 939 CE LYS A 336 -3.128 -1.808 -9.377 1.00 0.00 C ATOM 940 NZ LYS A 336 -3.926 -1.955 -10.626 1.00 0.00 N ATOM 0 H LYS A 336 0.750 -1.154 -6.355 1.00 0.00 H new ATOM 0 HA LYS A 336 -1.868 -2.297 -6.771 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -0.769 -0.964 -8.472 1.00 0.00 H new ATOM 0 HB3 LYS A 336 0.712 -1.894 -8.358 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -0.684 -2.486 -10.390 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -0.352 -3.862 -9.356 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -2.747 -3.853 -9.965 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -2.584 -3.567 -8.244 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -3.770 -1.614 -8.518 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -2.431 -0.973 -9.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -4.464 -1.082 -10.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -3.287 -2.132 -11.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -4.585 -2.754 -10.525 1.00 0.00 H new ATOM 954 N HIS A 337 0.646 -4.431 -6.866 1.00 0.00 N ATOM 955 CA HIS A 337 0.924 -5.888 -6.733 1.00 0.00 C ATOM 956 C HIS A 337 0.417 -6.353 -5.371 1.00 0.00 C ATOM 957 O HIS A 337 -0.226 -7.377 -5.243 1.00 0.00 O ATOM 958 CB HIS A 337 2.445 -6.015 -6.821 1.00 0.00 C ATOM 959 CG HIS A 337 2.813 -6.763 -8.071 1.00 0.00 C ATOM 960 ND1 HIS A 337 2.631 -8.131 -8.195 1.00 0.00 N ATOM 961 CD2 HIS A 337 3.354 -6.348 -9.264 1.00 0.00 C ATOM 962 CE1 HIS A 337 3.055 -8.487 -9.422 1.00 0.00 C ATOM 963 NE2 HIS A 337 3.506 -7.439 -10.114 1.00 0.00 N ATOM 0 H HIS A 337 1.469 -3.838 -6.975 1.00 0.00 H new ATOM 0 HA HIS A 337 0.436 -6.493 -7.497 1.00 0.00 H new ATOM 0 HB2 HIS A 337 2.904 -5.026 -6.828 1.00 0.00 H new ATOM 0 HB3 HIS A 337 2.828 -6.538 -5.945 1.00 0.00 H new ATOM 0 HD2 HIS A 337 3.621 -5.330 -9.505 1.00 0.00 H new ATOM 0 HE1 HIS A 337 3.033 -9.498 -9.800 1.00 0.00 H new ATOM 0 HE2 HIS A 337 3.882 -7.438 -11.062 1.00 0.00 H new ATOM 971 N PHE A 338 0.685 -5.579 -4.354 1.00 0.00 N ATOM 972 CA PHE A 338 0.206 -5.933 -2.991 1.00 0.00 C ATOM 973 C PHE A 338 -1.320 -5.955 -2.995 1.00 0.00 C ATOM 974 O PHE A 338 -1.953 -6.824 -2.424 1.00 0.00 O ATOM 975 CB PHE A 338 0.719 -4.804 -2.103 1.00 0.00 C ATOM 976 CG PHE A 338 0.016 -4.848 -0.774 1.00 0.00 C ATOM 977 CD1 PHE A 338 0.018 -6.021 -0.012 1.00 0.00 C ATOM 978 CD2 PHE A 338 -0.642 -3.710 -0.306 1.00 0.00 C ATOM 979 CE1 PHE A 338 -0.642 -6.052 1.221 1.00 0.00 C ATOM 980 CE2 PHE A 338 -1.302 -3.737 0.926 1.00 0.00 C ATOM 981 CZ PHE A 338 -1.302 -4.910 1.691 1.00 0.00 C ATOM 0 H PHE A 338 1.219 -4.712 -4.411 1.00 0.00 H new ATOM 0 HA PHE A 338 0.552 -6.909 -2.650 1.00 0.00 H new ATOM 0 HB2 PHE A 338 1.795 -4.901 -1.960 1.00 0.00 H new ATOM 0 HB3 PHE A 338 0.547 -3.842 -2.585 1.00 0.00 H new ATOM 0 HD1 PHE A 338 0.528 -6.901 -0.375 1.00 0.00 H new ATOM 0 HD2 PHE A 338 -0.641 -2.806 -0.897 1.00 0.00 H new ATOM 0 HE1 PHE A 338 -0.642 -6.957 1.811 1.00 0.00 H new ATOM 0 HE2 PHE A 338 -1.811 -2.855 1.287 1.00 0.00 H new ATOM 0 HZ PHE A 338 -1.811 -4.934 2.643 1.00 0.00 H new ATOM 991 N GLN A 339 -1.907 -4.996 -3.655 1.00 0.00 N ATOM 992 CA GLN A 339 -3.389 -4.922 -3.739 1.00 0.00 C ATOM 993 C GLN A 339 -3.936 -6.186 -4.401 1.00 0.00 C ATOM 994 O GLN A 339 -4.877 -6.790 -3.928 1.00 0.00 O ATOM 995 CB GLN A 339 -3.655 -3.695 -4.610 1.00 0.00 C ATOM 996 CG GLN A 339 -4.121 -2.533 -3.730 1.00 0.00 C ATOM 997 CD GLN A 339 -4.523 -1.349 -4.611 1.00 0.00 C ATOM 998 OE1 GLN A 339 -4.207 -0.217 -4.305 1.00 0.00 O ATOM 999 NE2 GLN A 339 -5.211 -1.563 -5.698 1.00 0.00 N ATOM 0 H GLN A 339 -1.414 -4.250 -4.146 1.00 0.00 H new ATOM 0 HA GLN A 339 -3.868 -4.846 -2.763 1.00 0.00 H new ATOM 0 HB2 GLN A 339 -2.750 -3.416 -5.149 1.00 0.00 H new ATOM 0 HB3 GLN A 339 -4.414 -3.925 -5.358 1.00 0.00 H new ATOM 0 HG2 GLN A 339 -4.966 -2.845 -3.116 1.00 0.00 H new ATOM 0 HG3 GLN A 339 -3.323 -2.237 -3.048 1.00 0.00 H new ATOM 0 HE21 GLN A 339 -5.476 -2.514 -5.955 1.00 0.00 H new ATOM 0 HE22 GLN A 339 -5.484 -0.780 -6.291 1.00 0.00 H new