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= -0.495 USER MOD Single : A 294 GLN : amide:sc=-0.00493 X(o=-0.0049,f=-0.007) USER MOD Single : A 306 GLN : amide:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 307 TYR OH : rot 165:sc= 0 USER MOD Single : A 310 LYS NZ :NH3+ -176:sc= -1.89! (180deg=-1.9!) USER MOD Single : A 320 THR OG1 : rot -39:sc= 0.561 USER MOD Single : A 323 ASN : amide:sc= 0.0538 K(o=0.054,f=-2.9!) USER MOD Single : A 325 THR OG1 : rot 180:sc= 0.0484 USER MOD Single : A 329 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 334 GLN : amide:sc= -2.91! C(o=-2.9!,f=-6.5!) USER MOD Single : A 336 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 337 HIS : no HD1:sc= -0.236 X(o=-0.24,f=-0.045) USER MOD Single : A 339 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 133 N PRO A 287 10.789 1.826 -0.788 1.00 0.00 N ATOM 134 CA PRO A 287 10.098 0.621 -0.270 1.00 0.00 C ATOM 135 C PRO A 287 10.389 -0.591 -1.158 1.00 0.00 C ATOM 136 O PRO A 287 10.549 -0.471 -2.356 1.00 0.00 O ATOM 137 CB PRO A 287 8.622 1.000 -0.342 1.00 0.00 C ATOM 138 CG PRO A 287 8.537 2.044 -1.412 1.00 0.00 C ATOM 139 CD PRO A 287 9.871 2.744 -1.469 1.00 0.00 C ATOM 0 HA PRO A 287 10.418 0.344 0.734 1.00 0.00 H new ATOM 0 HB2 PRO A 287 8.005 0.135 -0.586 1.00 0.00 H new ATOM 0 HB3 PRO A 287 8.267 1.386 0.614 1.00 0.00 H new ATOM 0 HG2 PRO A 287 8.301 1.589 -2.374 1.00 0.00 H new ATOM 0 HG3 PRO A 287 7.740 2.755 -1.192 1.00 0.00 H new ATOM 0 HD2 PRO A 287 10.181 2.927 -2.498 1.00 0.00 H new ATOM 0 HD3 PRO A 287 9.834 3.713 -0.970 1.00 0.00 H new ATOM 147 N GLU A 288 10.458 -1.759 -0.579 1.00 0.00 N ATOM 148 CA GLU A 288 10.736 -2.977 -1.393 1.00 0.00 C ATOM 149 C GLU A 288 9.423 -3.667 -1.773 1.00 0.00 C ATOM 150 O GLU A 288 9.258 -4.143 -2.881 1.00 0.00 O ATOM 151 CB GLU A 288 11.572 -3.876 -0.482 1.00 0.00 C ATOM 152 CG GLU A 288 12.415 -4.825 -1.336 1.00 0.00 C ATOM 153 CD GLU A 288 13.748 -4.157 -1.679 1.00 0.00 C ATOM 154 OE1 GLU A 288 14.684 -4.321 -0.915 1.00 0.00 O ATOM 155 OE2 GLU A 288 13.809 -3.493 -2.701 1.00 0.00 O ATOM 0 H GLU A 288 10.334 -1.922 0.420 1.00 0.00 H new ATOM 0 HA GLU A 288 11.254 -2.746 -2.324 1.00 0.00 H new ATOM 0 HB2 GLU A 288 12.218 -3.269 0.152 1.00 0.00 H new ATOM 0 HB3 GLU A 288 10.921 -4.447 0.180 1.00 0.00 H new ATOM 0 HG2 GLU A 288 12.591 -5.756 -0.798 1.00 0.00 H new ATOM 0 HG3 GLU A 288 11.879 -5.082 -2.250 1.00 0.00 H new ATOM 162 N ARG A 289 8.486 -3.724 -0.866 1.00 0.00 N ATOM 163 CA ARG A 289 7.184 -4.381 -1.175 1.00 0.00 C ATOM 164 C ARG A 289 6.239 -4.260 0.026 1.00 0.00 C ATOM 165 O ARG A 289 6.627 -3.822 1.090 1.00 0.00 O ATOM 166 CB ARG A 289 7.533 -5.846 -1.449 1.00 0.00 C ATOM 167 CG ARG A 289 7.805 -6.570 -0.126 1.00 0.00 C ATOM 168 CD ARG A 289 8.763 -7.739 -0.370 1.00 0.00 C ATOM 169 NE ARG A 289 8.230 -8.853 0.463 1.00 0.00 N ATOM 170 CZ ARG A 289 8.455 -10.092 0.118 1.00 0.00 C ATOM 171 NH1 ARG A 289 9.675 -10.497 -0.101 1.00 0.00 N ATOM 172 NH2 ARG A 289 7.458 -10.924 -0.009 1.00 0.00 N ATOM 0 H ARG A 289 8.566 -3.343 0.077 1.00 0.00 H new ATOM 0 HA ARG A 289 6.677 -3.923 -2.024 1.00 0.00 H new ATOM 0 HB2 ARG A 289 6.713 -6.332 -1.978 1.00 0.00 H new ATOM 0 HB3 ARG A 289 8.409 -5.906 -2.094 1.00 0.00 H new ATOM 0 HG2 ARG A 289 8.236 -5.878 0.597 1.00 0.00 H new ATOM 0 HG3 ARG A 289 6.870 -6.935 0.300 1.00 0.00 H new ATOM 0 HD2 ARG A 289 8.791 -8.013 -1.425 1.00 0.00 H new ATOM 0 HD3 ARG A 289 9.782 -7.482 -0.080 1.00 0.00 H new ATOM 0 HE ARG A 289 7.689 -8.648 1.303 1.00 0.00 H new ATOM 0 HH11 ARG A 289 10.454 -9.846 -0.003 1.00 0.00 H new ATOM 0 HH12 ARG A 289 9.850 -11.465 -0.370 1.00 0.00 H new ATOM 0 HH21 ARG A 289 6.504 -10.606 0.161 1.00 0.00 H new ATOM 0 HH22 ARG A 289 7.633 -11.892 -0.278 1.00 0.00 H new ATOM 186 N ILE A 290 5.002 -4.645 -0.135 1.00 0.00 N ATOM 187 CA ILE A 290 4.046 -4.548 1.004 1.00 0.00 C ATOM 188 C ILE A 290 3.938 -5.895 1.722 1.00 0.00 C ATOM 189 O ILE A 290 4.031 -6.943 1.115 1.00 0.00 O ATOM 190 CB ILE A 290 2.696 -4.187 0.382 1.00 0.00 C ATOM 191 CG1 ILE A 290 2.872 -3.072 -0.658 1.00 0.00 C ATOM 192 CG2 ILE A 290 1.744 -3.715 1.485 1.00 0.00 C ATOM 193 CD1 ILE A 290 3.064 -1.733 0.047 1.00 0.00 C ATOM 0 H ILE A 290 4.614 -5.020 -1.001 1.00 0.00 H new ATOM 0 HA ILE A 290 4.371 -3.808 1.736 1.00 0.00 H new ATOM 0 HB ILE A 290 2.283 -5.066 -0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 290 3.732 -3.286 -1.292 1.00 0.00 H new ATOM 0 HG13 ILE A 290 1.999 -3.029 -1.309 1.00 0.00 H new ATOM 0 HG21 ILE A 290 0.780 -3.456 1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 290 1.609 -4.513 2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 290 2.165 -2.839 1.979 1.00 0.00 H new ATOM 0 HD11 ILE A 290 3.188 -0.945 -0.696 1.00 0.00 H new ATOM 0 HD12 ILE A 290 2.190 -1.517 0.662 1.00 0.00 H new ATOM 0 HD13 ILE A 290 3.951 -1.779 0.679 1.00 0.00 H new ATOM 205 N ILE A 291 3.721 -5.872 3.006 1.00 0.00 N ATOM 206 CA ILE A 291 3.582 -7.152 3.763 1.00 0.00 C ATOM 207 C ILE A 291 2.181 -7.236 4.357 1.00 0.00 C ATOM 208 O ILE A 291 1.602 -8.298 4.471 1.00 0.00 O ATOM 209 CB ILE A 291 4.628 -7.129 4.887 1.00 0.00 C ATOM 210 CG1 ILE A 291 5.050 -5.688 5.222 1.00 0.00 C ATOM 211 CG2 ILE A 291 5.849 -7.932 4.450 1.00 0.00 C ATOM 212 CD1 ILE A 291 6.042 -5.178 4.173 1.00 0.00 C ATOM 0 H ILE A 291 3.633 -5.024 3.566 1.00 0.00 H new ATOM 0 HA ILE A 291 3.735 -8.014 3.114 1.00 0.00 H new ATOM 0 HB ILE A 291 4.188 -7.570 5.781 1.00 0.00 H new ATOM 0 HG12 ILE A 291 4.174 -5.041 5.251 1.00 0.00 H new ATOM 0 HG13 ILE A 291 5.505 -5.654 6.212 1.00 0.00 H new ATOM 0 HG21 ILE A 291 6.596 -7.920 5.244 1.00 0.00 H new ATOM 0 HG22 ILE A 291 5.554 -8.961 4.246 1.00 0.00 H new ATOM 0 HG23 ILE A 291 6.271 -7.490 3.548 1.00 0.00 H new ATOM 0 HD11 ILE A 291 6.336 -4.157 4.417 1.00 0.00 H new ATOM 0 HD12 ILE A 291 6.924 -5.818 4.165 1.00 0.00 H new ATOM 0 HD13 ILE A 291 5.572 -5.195 3.189 1.00 0.00 H new ATOM 224 N ASP A 292 1.632 -6.118 4.732 1.00 0.00 N ATOM 225 CA ASP A 292 0.267 -6.121 5.315 1.00 0.00 C ATOM 226 C ASP A 292 -0.363 -4.733 5.172 1.00 0.00 C ATOM 227 O ASP A 292 0.299 -3.776 4.822 1.00 0.00 O ATOM 228 CB ASP A 292 0.465 -6.476 6.789 1.00 0.00 C ATOM 229 CG ASP A 292 -0.887 -6.809 7.421 1.00 0.00 C ATOM 230 OD1 ASP A 292 -1.559 -7.689 6.907 1.00 0.00 O ATOM 231 OD2 ASP A 292 -1.228 -6.181 8.410 1.00 0.00 O ATOM 0 H ASP A 292 2.071 -5.200 4.659 1.00 0.00 H new ATOM 0 HA ASP A 292 -0.398 -6.826 4.817 1.00 0.00 H new ATOM 0 HB2 ASP A 292 1.141 -7.326 6.881 1.00 0.00 H new ATOM 0 HB3 ASP A 292 0.929 -5.642 7.316 1.00 0.00 H new ATOM 236 N SER A 293 -1.634 -4.614 5.438 1.00 0.00 N ATOM 237 CA SER A 293 -2.297 -3.284 5.312 1.00 0.00 C ATOM 238 C SER A 293 -3.082 -2.954 6.584 1.00 0.00 C ATOM 239 O SER A 293 -3.454 -3.830 7.341 1.00 0.00 O ATOM 240 CB SER A 293 -3.244 -3.428 4.123 1.00 0.00 C ATOM 241 OG SER A 293 -3.539 -4.804 3.925 1.00 0.00 O ATOM 0 H SER A 293 -2.242 -5.377 5.736 1.00 0.00 H new ATOM 0 HA SER A 293 -1.577 -2.478 5.169 1.00 0.00 H new ATOM 0 HB2 SER A 293 -4.162 -2.869 4.304 1.00 0.00 H new ATOM 0 HB3 SER A 293 -2.788 -3.009 3.226 1.00 0.00 H new ATOM 0 HG SER A 293 -4.148 -4.902 3.163 1.00 0.00 H new ATOM 247 N GLN A 294 -3.340 -1.698 6.824 1.00 0.00 N ATOM 248 CA GLN A 294 -4.103 -1.309 8.043 1.00 0.00 C ATOM 249 C GLN A 294 -5.089 -0.184 7.713 1.00 0.00 C ATOM 250 O GLN A 294 -4.771 0.983 7.816 1.00 0.00 O ATOM 251 CB GLN A 294 -3.046 -0.823 9.036 1.00 0.00 C ATOM 252 CG GLN A 294 -3.659 -0.748 10.437 1.00 0.00 C ATOM 253 CD GLN A 294 -3.624 -2.135 11.081 1.00 0.00 C ATOM 254 OE1 GLN A 294 -2.574 -2.615 11.458 1.00 0.00 O ATOM 255 NE2 GLN A 294 -4.735 -2.804 11.226 1.00 0.00 N ATOM 0 H GLN A 294 -3.054 -0.922 6.227 1.00 0.00 H new ATOM 0 HA GLN A 294 -4.688 -2.136 8.445 1.00 0.00 H new ATOM 0 HB2 GLN A 294 -2.193 -1.501 9.036 1.00 0.00 H new ATOM 0 HB3 GLN A 294 -2.674 0.157 8.737 1.00 0.00 H new ATOM 0 HG2 GLN A 294 -3.107 -0.036 11.050 1.00 0.00 H new ATOM 0 HG3 GLN A 294 -4.686 -0.388 10.378 1.00 0.00 H new ATOM 0 HE21 GLN A 294 -5.617 -2.402 10.910 1.00 0.00 H new ATOM 0 HE22 GLN A 294 -4.721 -3.729 11.656 1.00 0.00 H new ATOM 404 N LEU A 305 -5.892 5.032 6.012 1.00 0.00 N ATOM 405 CA LEU A 305 -5.381 3.844 5.267 1.00 0.00 C ATOM 406 C LEU A 305 -3.853 3.782 5.361 1.00 0.00 C ATOM 407 O LEU A 305 -3.168 4.753 5.110 1.00 0.00 O ATOM 408 CB LEU A 305 -5.821 4.074 3.822 1.00 0.00 C ATOM 409 CG LEU A 305 -5.362 2.904 2.953 1.00 0.00 C ATOM 410 CD1 LEU A 305 -6.121 1.639 3.352 1.00 0.00 C ATOM 411 CD2 LEU A 305 -5.645 3.224 1.485 1.00 0.00 C ATOM 0 HA LEU A 305 -5.762 2.904 5.667 1.00 0.00 H new ATOM 0 HB2 LEU A 305 -6.905 4.173 3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 305 -5.399 5.006 3.447 1.00 0.00 H new ATOM 0 HG LEU A 305 -4.293 2.744 3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 305 -5.792 0.806 2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 305 -5.923 1.411 4.399 1.00 0.00 H new ATOM 0 HD13 LEU A 305 -7.190 1.796 3.211 1.00 0.00 H new ATOM 0 HD21 LEU A 305 -5.319 2.391 0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 305 -6.714 3.383 1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 305 -5.104 4.126 1.198 1.00 0.00 H new ATOM 423 N GLN A 306 -3.312 2.651 5.725 1.00 0.00 N ATOM 424 CA GLN A 306 -1.828 2.542 5.837 1.00 0.00 C ATOM 425 C GLN A 306 -1.347 1.165 5.364 1.00 0.00 C ATOM 426 O GLN A 306 -1.959 0.152 5.638 1.00 0.00 O ATOM 427 CB GLN A 306 -1.530 2.732 7.325 1.00 0.00 C ATOM 428 CG GLN A 306 -1.839 4.176 7.725 1.00 0.00 C ATOM 429 CD GLN A 306 -1.747 4.314 9.246 1.00 0.00 C ATOM 430 OE1 GLN A 306 -2.524 3.723 9.970 1.00 0.00 O ATOM 431 NE2 GLN A 306 -0.823 5.075 9.765 1.00 0.00 N ATOM 0 H GLN A 306 -3.830 1.801 5.949 1.00 0.00 H new ATOM 0 HA GLN A 306 -1.317 3.279 5.217 1.00 0.00 H new ATOM 0 HB2 GLN A 306 -2.130 2.042 7.918 1.00 0.00 H new ATOM 0 HB3 GLN A 306 -0.484 2.502 7.530 1.00 0.00 H new ATOM 0 HG2 GLN A 306 -1.136 4.856 7.244 1.00 0.00 H new ATOM 0 HG3 GLN A 306 -2.836 4.454 7.383 1.00 0.00 H new ATOM 0 HE21 GLN A 306 -0.171 5.571 9.158 1.00 0.00 H new ATOM 0 HE22 GLN A 306 -0.753 5.174 10.778 1.00 0.00 H new ATOM 440 N TYR A 307 -0.249 1.129 4.658 1.00 0.00 N ATOM 441 CA TYR A 307 0.292 -0.169 4.162 1.00 0.00 C ATOM 442 C TYR A 307 1.633 -0.475 4.835 1.00 0.00 C ATOM 443 O TYR A 307 2.469 0.393 4.992 1.00 0.00 O ATOM 444 CB TYR A 307 0.514 0.042 2.662 1.00 0.00 C ATOM 445 CG TYR A 307 -0.714 -0.352 1.874 1.00 0.00 C ATOM 446 CD1 TYR A 307 -1.943 -0.549 2.518 1.00 0.00 C ATOM 447 CD2 TYR A 307 -0.618 -0.517 0.488 1.00 0.00 C ATOM 448 CE1 TYR A 307 -3.072 -0.912 1.771 1.00 0.00 C ATOM 449 CE2 TYR A 307 -1.744 -0.879 -0.258 1.00 0.00 C ATOM 450 CZ TYR A 307 -2.972 -1.077 0.384 1.00 0.00 C ATOM 451 OH TYR A 307 -4.084 -1.434 -0.350 1.00 0.00 O ATOM 0 H TYR A 307 0.300 1.949 4.402 1.00 0.00 H new ATOM 0 HA TYR A 307 -0.383 -0.998 4.375 1.00 0.00 H new ATOM 0 HB2 TYR A 307 0.754 1.088 2.470 1.00 0.00 H new ATOM 0 HB3 TYR A 307 1.368 -0.548 2.330 1.00 0.00 H new ATOM 0 HD1 TYR A 307 -2.020 -0.421 3.588 1.00 0.00 H new ATOM 0 HD2 TYR A 307 0.329 -0.364 -0.008 1.00 0.00 H new ATOM 0 HE1 TYR A 307 -4.020 -1.065 2.266 1.00 0.00 H new ATOM 0 HE2 TYR A 307 -1.666 -1.006 -1.328 1.00 0.00 H new ATOM 0 HH TYR A 307 -3.913 -1.275 -1.302 1.00 0.00 H new ATOM 461 N LEU A 308 1.856 -1.703 5.213 1.00 0.00 N ATOM 462 CA LEU A 308 3.158 -2.058 5.849 1.00 0.00 C ATOM 463 C LEU A 308 4.186 -2.346 4.752 1.00 0.00 C ATOM 464 O LEU A 308 3.993 -3.219 3.928 1.00 0.00 O ATOM 465 CB LEU A 308 2.869 -3.318 6.667 1.00 0.00 C ATOM 466 CG LEU A 308 4.081 -3.655 7.537 1.00 0.00 C ATOM 467 CD1 LEU A 308 4.170 -2.664 8.698 1.00 0.00 C ATOM 468 CD2 LEU A 308 3.931 -5.073 8.090 1.00 0.00 C ATOM 0 H LEU A 308 1.197 -2.474 5.110 1.00 0.00 H new ATOM 0 HA LEU A 308 3.560 -1.261 6.475 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.991 -3.163 7.294 1.00 0.00 H new ATOM 0 HB3 LEU A 308 2.643 -4.152 6.002 1.00 0.00 H new ATOM 0 HG LEU A 308 4.988 -3.591 6.936 1.00 0.00 H new ATOM 0 HD11 LEU A 308 5.034 -2.905 9.317 1.00 0.00 H new ATOM 0 HD12 LEU A 308 4.276 -1.653 8.306 1.00 0.00 H new ATOM 0 HD13 LEU A 308 3.264 -2.727 9.300 1.00 0.00 H new ATOM 0 HD21 LEU A 308 4.794 -5.315 8.710 1.00 0.00 H new ATOM 0 HD22 LEU A 308 3.024 -5.135 8.691 1.00 0.00 H new ATOM 0 HD23 LEU A 308 3.868 -5.781 7.264 1.00 0.00 H new ATOM 480 N VAL A 309 5.265 -1.613 4.714 1.00 0.00 N ATOM 481 CA VAL A 309 6.278 -1.852 3.644 1.00 0.00 C ATOM 482 C VAL A 309 7.623 -2.270 4.238 1.00 0.00 C ATOM 483 O VAL A 309 7.932 -1.982 5.377 1.00 0.00 O ATOM 484 CB VAL A 309 6.413 -0.515 2.920 1.00 0.00 C ATOM 485 CG1 VAL A 309 7.170 -0.726 1.607 1.00 0.00 C ATOM 486 CG2 VAL A 309 5.022 0.052 2.627 1.00 0.00 C ATOM 0 H VAL A 309 5.489 -0.865 5.371 1.00 0.00 H new ATOM 0 HA VAL A 309 5.972 -2.658 2.977 1.00 0.00 H new ATOM 0 HB VAL A 309 6.962 0.187 3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 309 7.269 0.227 1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 309 8.161 -1.128 1.819 1.00 0.00 H new ATOM 0 HG13 VAL A 309 6.621 -1.427 0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 309 5.120 1.007 2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 309 4.470 -0.646 1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 309 4.485 0.200 3.564 1.00 0.00 H new ATOM 496 N LYS A 310 8.431 -2.938 3.460 1.00 0.00 N ATOM 497 CA LYS A 310 9.767 -3.370 3.958 1.00 0.00 C ATOM 498 C LYS A 310 10.846 -2.450 3.382 1.00 0.00 C ATOM 499 O LYS A 310 11.348 -2.668 2.298 1.00 0.00 O ATOM 500 CB LYS A 310 9.947 -4.797 3.439 1.00 0.00 C ATOM 501 CG LYS A 310 10.991 -5.520 4.291 1.00 0.00 C ATOM 502 CD LYS A 310 12.010 -6.206 3.379 1.00 0.00 C ATOM 503 CE LYS A 310 11.614 -7.672 3.179 1.00 0.00 C ATOM 504 NZ LYS A 310 10.850 -7.698 1.899 1.00 0.00 N ATOM 0 H LYS A 310 8.222 -3.204 2.498 1.00 0.00 H new ATOM 0 HA LYS A 310 9.844 -3.326 5.044 1.00 0.00 H new ATOM 0 HB2 LYS A 310 8.998 -5.332 3.476 1.00 0.00 H new ATOM 0 HB3 LYS A 310 10.262 -4.779 2.396 1.00 0.00 H new ATOM 0 HG2 LYS A 310 11.495 -4.810 4.947 1.00 0.00 H new ATOM 0 HG3 LYS A 310 10.506 -6.257 4.931 1.00 0.00 H new ATOM 0 HD2 LYS A 310 12.054 -5.696 2.417 1.00 0.00 H new ATOM 0 HD3 LYS A 310 13.006 -6.144 3.818 1.00 0.00 H new ATOM 0 HE2 LYS A 310 12.493 -8.314 3.126 1.00 0.00 H new ATOM 0 HE3 LYS A 310 11.006 -8.032 4.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 310 10.488 -8.658 1.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 310 10.053 -7.032 1.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 310 11.476 -7.422 1.116 1.00 0.00 H new ATOM 681 N THR A 320 8.099 -1.073 8.196 1.00 0.00 N ATOM 682 CA THR A 320 7.250 -0.337 9.176 1.00 0.00 C ATOM 683 C THR A 320 5.870 -0.068 8.569 1.00 0.00 C ATOM 684 O THR A 320 5.461 -0.721 7.630 1.00 0.00 O ATOM 685 CB THR A 320 7.991 0.973 9.444 1.00 0.00 C ATOM 686 OG1 THR A 320 8.450 1.519 8.215 1.00 0.00 O ATOM 687 CG2 THR A 320 9.183 0.703 10.363 1.00 0.00 C ATOM 0 HA THR A 320 7.090 -0.901 10.095 1.00 0.00 H new ATOM 0 HB THR A 320 7.316 1.682 9.924 1.00 0.00 H new ATOM 0 HG1 THR A 320 8.769 0.796 7.635 1.00 0.00 H new ATOM 0 HG21 THR A 320 9.713 1.636 10.555 1.00 0.00 H new ATOM 0 HG22 THR A 320 8.829 0.286 11.306 1.00 0.00 H new ATOM 0 HG23 THR A 320 9.859 -0.006 9.884 1.00 0.00 H new ATOM 695 N TRP A 321 5.146 0.880 9.098 1.00 0.00 N ATOM 696 CA TRP A 321 3.792 1.171 8.547 1.00 0.00 C ATOM 697 C TRP A 321 3.747 2.566 7.919 1.00 0.00 C ATOM 698 O TRP A 321 4.235 3.529 8.476 1.00 0.00 O ATOM 699 CB TRP A 321 2.855 1.102 9.751 1.00 0.00 C ATOM 700 CG TRP A 321 2.351 -0.294 9.910 1.00 0.00 C ATOM 701 CD1 TRP A 321 2.697 -1.134 10.912 1.00 0.00 C ATOM 702 CD2 TRP A 321 1.417 -1.027 9.063 1.00 0.00 C ATOM 703 NE1 TRP A 321 2.034 -2.336 10.737 1.00 0.00 N ATOM 704 CE2 TRP A 321 1.233 -2.319 9.611 1.00 0.00 C ATOM 705 CE3 TRP A 321 0.719 -0.701 7.886 1.00 0.00 C ATOM 706 CZ2 TRP A 321 0.386 -3.254 9.013 1.00 0.00 C ATOM 707 CZ3 TRP A 321 -0.134 -1.639 7.282 1.00 0.00 C ATOM 708 CH2 TRP A 321 -0.299 -2.913 7.844 1.00 0.00 C ATOM 0 H TRP A 321 5.432 1.463 9.884 1.00 0.00 H new ATOM 0 HA TRP A 321 3.514 0.467 7.763 1.00 0.00 H new ATOM 0 HB2 TRP A 321 3.381 1.415 10.653 1.00 0.00 H new ATOM 0 HB3 TRP A 321 2.019 1.788 9.615 1.00 0.00 H new ATOM 0 HD1 TRP A 321 3.379 -0.904 11.717 1.00 0.00 H new ATOM 0 HE1 TRP A 321 2.125 -3.136 11.363 1.00 0.00 H new ATOM 0 HE3 TRP A 321 0.840 0.277 7.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 321 0.261 -4.233 9.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 321 -0.666 -1.378 6.379 1.00 0.00 H new ATOM 0 HH2 TRP A 321 -0.955 -3.630 7.374 1.00 0.00 H new ATOM 719 N GLU A 322 3.152 2.676 6.764 1.00 0.00 N ATOM 720 CA GLU A 322 3.056 4.003 6.092 1.00 0.00 C ATOM 721 C GLU A 322 1.705 4.118 5.385 1.00 0.00 C ATOM 722 O GLU A 322 1.100 3.129 5.030 1.00 0.00 O ATOM 723 CB GLU A 322 4.201 4.018 5.078 1.00 0.00 C ATOM 724 CG GLU A 322 5.458 4.587 5.738 1.00 0.00 C ATOM 725 CD GLU A 322 6.138 5.569 4.782 1.00 0.00 C ATOM 726 OE1 GLU A 322 6.059 5.351 3.585 1.00 0.00 O ATOM 727 OE2 GLU A 322 6.726 6.523 5.265 1.00 0.00 O ATOM 0 H GLU A 322 2.726 1.902 6.254 1.00 0.00 H new ATOM 0 HA GLU A 322 3.129 4.837 6.790 1.00 0.00 H new ATOM 0 HB2 GLU A 322 4.393 3.008 4.715 1.00 0.00 H new ATOM 0 HB3 GLU A 322 3.927 4.621 4.212 1.00 0.00 H new ATOM 0 HG2 GLU A 322 5.196 5.091 6.668 1.00 0.00 H new ATOM 0 HG3 GLU A 322 6.144 3.780 5.995 1.00 0.00 H new ATOM 734 N ASN A 323 1.221 5.310 5.176 1.00 0.00 N ATOM 735 CA ASN A 323 -0.092 5.462 4.495 1.00 0.00 C ATOM 736 C ASN A 323 -0.094 4.672 3.188 1.00 0.00 C ATOM 737 O ASN A 323 0.849 4.718 2.424 1.00 0.00 O ATOM 738 CB ASN A 323 -0.220 6.960 4.215 1.00 0.00 C ATOM 739 CG ASN A 323 -0.419 7.712 5.532 1.00 0.00 C ATOM 740 OD1 ASN A 323 0.469 7.753 6.361 1.00 0.00 O ATOM 741 ND2 ASN A 323 -1.554 8.313 5.760 1.00 0.00 N ATOM 0 H ASN A 323 1.676 6.182 5.446 1.00 0.00 H new ATOM 0 HA ASN A 323 -0.920 5.089 5.098 1.00 0.00 H new ATOM 0 HB2 ASN A 323 0.674 7.323 3.708 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -1.062 7.145 3.548 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -1.697 8.818 6.635 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -2.299 8.278 5.064 1.00 0.00 H new ATOM 748 N ALA A 324 -1.151 3.963 2.910 1.00 0.00 N ATOM 749 CA ALA A 324 -1.201 3.198 1.636 1.00 0.00 C ATOM 750 C ALA A 324 -1.274 4.192 0.484 1.00 0.00 C ATOM 751 O ALA A 324 -1.062 3.858 -0.663 1.00 0.00 O ATOM 752 CB ALA A 324 -2.475 2.360 1.712 1.00 0.00 C ATOM 0 H ALA A 324 -1.976 3.881 3.505 1.00 0.00 H new ATOM 0 HA ALA A 324 -0.329 2.563 1.481 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -2.576 1.768 0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -2.422 1.694 2.574 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -3.338 3.018 1.815 1.00 0.00 H new ATOM 758 N THR A 325 -1.560 5.425 0.799 1.00 0.00 N ATOM 759 CA THR A 325 -1.638 6.469 -0.252 1.00 0.00 C ATOM 760 C THR A 325 -0.226 6.852 -0.687 1.00 0.00 C ATOM 761 O THR A 325 0.110 6.826 -1.854 1.00 0.00 O ATOM 762 CB THR A 325 -2.332 7.644 0.429 1.00 0.00 C ATOM 763 OG1 THR A 325 -3.267 7.154 1.378 1.00 0.00 O ATOM 764 CG2 THR A 325 -3.056 8.486 -0.616 1.00 0.00 C ATOM 0 H THR A 325 -1.744 5.753 1.747 1.00 0.00 H new ATOM 0 HA THR A 325 -2.174 6.143 -1.144 1.00 0.00 H new ATOM 0 HB THR A 325 -1.590 8.260 0.936 1.00 0.00 H new ATOM 0 HG1 THR A 325 -3.713 7.908 1.818 1.00 0.00 H new ATOM 0 HG21 THR A 325 -3.551 9.325 -0.128 1.00 0.00 H new ATOM 0 HG22 THR A 325 -2.336 8.863 -1.342 1.00 0.00 H new ATOM 0 HG23 THR A 325 -3.799 7.873 -1.126 1.00 0.00 H new ATOM 772 N ASP A 326 0.606 7.191 0.253 1.00 0.00 N ATOM 773 CA ASP A 326 2.004 7.561 -0.092 1.00 0.00 C ATOM 774 C ASP A 326 2.680 6.389 -0.798 1.00 0.00 C ATOM 775 O ASP A 326 3.319 6.553 -1.815 1.00 0.00 O ATOM 776 CB ASP A 326 2.687 7.848 1.243 1.00 0.00 C ATOM 777 CG ASP A 326 2.886 9.357 1.400 1.00 0.00 C ATOM 778 OD1 ASP A 326 2.095 10.100 0.841 1.00 0.00 O ATOM 779 OD2 ASP A 326 3.825 9.744 2.075 1.00 0.00 O ATOM 0 H ASP A 326 0.379 7.228 1.247 1.00 0.00 H new ATOM 0 HA ASP A 326 2.056 8.421 -0.760 1.00 0.00 H new ATOM 0 HB2 ASP A 326 2.082 7.463 2.064 1.00 0.00 H new ATOM 0 HB3 ASP A 326 3.649 7.337 1.289 1.00 0.00 H new ATOM 784 N ILE A 327 2.536 5.202 -0.273 1.00 0.00 N ATOM 785 CA ILE A 327 3.169 4.023 -0.925 1.00 0.00 C ATOM 786 C ILE A 327 2.573 3.820 -2.319 1.00 0.00 C ATOM 787 O ILE A 327 3.244 3.378 -3.227 1.00 0.00 O ATOM 788 CB ILE A 327 2.853 2.839 -0.010 1.00 0.00 C ATOM 789 CG1 ILE A 327 3.634 2.994 1.296 1.00 0.00 C ATOM 790 CG2 ILE A 327 3.264 1.531 -0.693 1.00 0.00 C ATOM 791 CD1 ILE A 327 5.105 3.271 0.975 1.00 0.00 C ATOM 0 H ILE A 327 2.009 5.000 0.576 1.00 0.00 H new ATOM 0 HA ILE A 327 4.244 4.144 -1.057 1.00 0.00 H new ATOM 0 HB ILE A 327 1.783 2.816 0.197 1.00 0.00 H new ATOM 0 HG12 ILE A 327 3.219 3.810 1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 327 3.545 2.089 1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 327 3.037 0.691 -0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 327 2.714 1.420 -1.628 1.00 0.00 H new ATOM 0 HG23 ILE A 327 4.334 1.550 -0.901 1.00 0.00 H new ATOM 0 HD11 ILE A 327 5.665 3.382 1.903 1.00 0.00 H new ATOM 0 HD12 ILE A 327 5.515 2.440 0.401 1.00 0.00 H new ATOM 0 HD13 ILE A 327 5.184 4.188 0.392 1.00 0.00 H new ATOM 803 N VAL A 328 1.328 4.158 -2.510 1.00 0.00 N ATOM 804 CA VAL A 328 0.732 4.000 -3.866 1.00 0.00 C ATOM 805 C VAL A 328 1.520 4.878 -4.834 1.00 0.00 C ATOM 806 O VAL A 328 1.787 4.511 -5.959 1.00 0.00 O ATOM 807 CB VAL A 328 -0.710 4.489 -3.736 1.00 0.00 C ATOM 808 CG1 VAL A 328 -1.255 4.871 -5.115 1.00 0.00 C ATOM 809 CG2 VAL A 328 -1.568 3.373 -3.144 1.00 0.00 C ATOM 0 H VAL A 328 0.704 4.532 -1.795 1.00 0.00 H new ATOM 0 HA VAL A 328 0.760 2.975 -4.236 1.00 0.00 H new ATOM 0 HB VAL A 328 -0.738 5.362 -3.084 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -2.283 5.219 -5.016 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -0.642 5.666 -5.541 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -1.228 4.001 -5.771 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -2.598 3.717 -3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -1.535 2.502 -3.799 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -1.184 3.102 -2.161 1.00 0.00 H new ATOM 819 N LYS A 329 1.907 6.036 -4.381 1.00 0.00 N ATOM 820 CA LYS A 329 2.700 6.958 -5.241 1.00 0.00 C ATOM 821 C LYS A 329 4.189 6.632 -5.092 1.00 0.00 C ATOM 822 O LYS A 329 4.905 6.492 -6.064 1.00 0.00 O ATOM 823 CB LYS A 329 2.396 8.360 -4.711 1.00 0.00 C ATOM 824 CG LYS A 329 0.979 8.766 -5.120 1.00 0.00 C ATOM 825 CD LYS A 329 0.494 9.907 -4.222 1.00 0.00 C ATOM 826 CE LYS A 329 0.949 11.247 -4.808 1.00 0.00 C ATOM 827 NZ LYS A 329 0.278 12.279 -3.969 1.00 0.00 N ATOM 0 H LYS A 329 1.707 6.387 -3.444 1.00 0.00 H new ATOM 0 HA LYS A 329 2.450 6.870 -6.298 1.00 0.00 H new ATOM 0 HB2 LYS A 329 2.491 8.378 -3.625 1.00 0.00 H new ATOM 0 HB3 LYS A 329 3.118 9.074 -5.106 1.00 0.00 H new ATOM 0 HG2 LYS A 329 0.967 9.080 -6.164 1.00 0.00 H new ATOM 0 HG3 LYS A 329 0.306 7.912 -5.036 1.00 0.00 H new ATOM 0 HD2 LYS A 329 -0.593 9.884 -4.141 1.00 0.00 H new ATOM 0 HD3 LYS A 329 0.891 9.785 -3.214 1.00 0.00 H new ATOM 0 HE2 LYS A 329 2.034 11.348 -4.767 1.00 0.00 H new ATOM 0 HE3 LYS A 329 0.660 11.339 -5.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 329 0.540 13.226 -4.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 329 -0.753 12.162 -4.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 329 0.578 12.170 -2.979 1.00 0.00 H new ATOM 841 N LEU A 330 4.653 6.489 -3.879 1.00 0.00 N ATOM 842 CA LEU A 330 6.084 6.150 -3.659 1.00 0.00 C ATOM 843 C LEU A 330 6.367 4.785 -4.279 1.00 0.00 C ATOM 844 O LEU A 330 7.414 4.543 -4.848 1.00 0.00 O ATOM 845 CB LEU A 330 6.236 6.083 -2.142 1.00 0.00 C ATOM 846 CG LEU A 330 7.548 6.753 -1.724 1.00 0.00 C ATOM 847 CD1 LEU A 330 7.352 8.268 -1.660 1.00 0.00 C ATOM 848 CD2 LEU A 330 7.966 6.237 -0.346 1.00 0.00 C ATOM 0 H LEU A 330 4.098 6.593 -3.030 1.00 0.00 H new ATOM 0 HA LEU A 330 6.770 6.870 -4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 330 5.394 6.579 -1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 330 6.226 5.044 -1.811 1.00 0.00 H new ATOM 0 HG LEU A 330 8.323 6.518 -2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 330 8.287 8.744 -1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 330 7.053 8.638 -2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 330 6.577 8.504 -0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 330 8.900 6.713 -0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 330 7.189 6.473 0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 330 8.107 5.157 -0.389 1.00 0.00 H new ATOM 860 N ALA A 331 5.422 3.897 -4.172 1.00 0.00 N ATOM 861 CA ALA A 331 5.585 2.536 -4.744 1.00 0.00 C ATOM 862 C ALA A 331 4.227 2.015 -5.226 1.00 0.00 C ATOM 863 O ALA A 331 3.598 1.217 -4.559 1.00 0.00 O ATOM 864 CB ALA A 331 6.109 1.683 -3.589 1.00 0.00 C ATOM 0 H ALA A 331 4.530 4.060 -3.705 1.00 0.00 H new ATOM 0 HA ALA A 331 6.261 2.517 -5.599 1.00 0.00 H new ATOM 0 HB1 ALA A 331 6.256 0.659 -3.931 1.00 0.00 H new ATOM 0 HB2 ALA A 331 7.058 2.089 -3.239 1.00 0.00 H new ATOM 0 HB3 ALA A 331 5.387 1.693 -2.773 1.00 0.00 H new ATOM 870 N PRO A 332 3.816 2.491 -6.370 1.00 0.00 N ATOM 871 CA PRO A 332 2.513 2.072 -6.950 1.00 0.00 C ATOM 872 C PRO A 332 2.572 0.599 -7.357 1.00 0.00 C ATOM 873 O PRO A 332 1.733 -0.194 -6.978 1.00 0.00 O ATOM 874 CB PRO A 332 2.360 2.973 -8.175 1.00 0.00 C ATOM 875 CG PRO A 332 3.757 3.366 -8.531 1.00 0.00 C ATOM 876 CD PRO A 332 4.517 3.447 -7.233 1.00 0.00 C ATOM 0 HA PRO A 332 1.678 2.166 -6.256 1.00 0.00 H new ATOM 0 HB2 PRO A 332 1.875 2.446 -8.997 1.00 0.00 H new ATOM 0 HB3 PRO A 332 1.747 3.846 -7.951 1.00 0.00 H new ATOM 0 HG2 PRO A 332 4.208 2.634 -9.201 1.00 0.00 H new ATOM 0 HG3 PRO A 332 3.771 4.324 -9.050 1.00 0.00 H new ATOM 0 HD2 PRO A 332 5.565 3.177 -7.363 1.00 0.00 H new ATOM 0 HD3 PRO A 332 4.496 4.454 -6.817 1.00 0.00 H new ATOM 884 N GLU A 333 3.562 0.226 -8.120 1.00 0.00 N ATOM 885 CA GLU A 333 3.680 -1.197 -8.542 1.00 0.00 C ATOM 886 C GLU A 333 3.558 -2.106 -7.317 1.00 0.00 C ATOM 887 O GLU A 333 2.942 -3.152 -7.365 1.00 0.00 O ATOM 888 CB GLU A 333 5.072 -1.313 -9.163 1.00 0.00 C ATOM 889 CG GLU A 333 5.006 -2.196 -10.411 1.00 0.00 C ATOM 890 CD GLU A 333 5.571 -1.431 -11.609 1.00 0.00 C ATOM 891 OE1 GLU A 333 4.940 -0.475 -12.027 1.00 0.00 O ATOM 892 OE2 GLU A 333 6.626 -1.814 -12.088 1.00 0.00 O ATOM 0 H GLU A 333 4.294 0.845 -8.469 1.00 0.00 H new ATOM 0 HA GLU A 333 2.901 -1.493 -9.244 1.00 0.00 H new ATOM 0 HB2 GLU A 333 5.448 -0.324 -9.425 1.00 0.00 H new ATOM 0 HB3 GLU A 333 5.769 -1.738 -8.441 1.00 0.00 H new ATOM 0 HG2 GLU A 333 5.574 -3.113 -10.251 1.00 0.00 H new ATOM 0 HG3 GLU A 333 3.975 -2.490 -10.607 1.00 0.00 H new ATOM 899 N GLN A 334 4.135 -1.706 -6.218 1.00 0.00 N ATOM 900 CA GLN A 334 4.049 -2.537 -4.985 1.00 0.00 C ATOM 901 C GLN A 334 2.612 -2.534 -4.459 1.00 0.00 C ATOM 902 O GLN A 334 1.966 -3.559 -4.389 1.00 0.00 O ATOM 903 CB GLN A 334 4.991 -1.865 -3.985 1.00 0.00 C ATOM 904 CG GLN A 334 6.430 -2.306 -4.263 1.00 0.00 C ATOM 905 CD GLN A 334 6.892 -1.733 -5.603 1.00 0.00 C ATOM 906 OE1 GLN A 334 7.047 -0.536 -5.746 1.00 0.00 O ATOM 907 NE2 GLN A 334 7.119 -2.543 -6.600 1.00 0.00 N ATOM 0 H GLN A 334 4.663 -0.839 -6.121 1.00 0.00 H new ATOM 0 HA GLN A 334 4.325 -3.577 -5.162 1.00 0.00 H new ATOM 0 HB2 GLN A 334 4.910 -0.781 -4.065 1.00 0.00 H new ATOM 0 HB3 GLN A 334 4.708 -2.132 -2.967 1.00 0.00 H new ATOM 0 HG2 GLN A 334 7.087 -1.963 -3.464 1.00 0.00 H new ATOM 0 HG3 GLN A 334 6.491 -3.394 -4.281 1.00 0.00 H new ATOM 0 HE21 GLN A 334 6.989 -3.548 -6.481 1.00 0.00 H new ATOM 0 HE22 GLN A 334 7.426 -2.172 -7.499 1.00 0.00 H new ATOM 916 N VAL A 335 2.103 -1.388 -4.098 1.00 0.00 N ATOM 917 CA VAL A 335 0.705 -1.325 -3.587 1.00 0.00 C ATOM 918 C VAL A 335 -0.225 -2.056 -4.564 1.00 0.00 C ATOM 919 O VAL A 335 -1.153 -2.730 -4.161 1.00 0.00 O ATOM 920 CB VAL A 335 0.391 0.174 -3.493 1.00 0.00 C ATOM 921 CG1 VAL A 335 -1.107 0.434 -3.675 1.00 0.00 C ATOM 922 CG2 VAL A 335 0.816 0.676 -2.113 1.00 0.00 C ATOM 0 H VAL A 335 2.594 -0.495 -4.135 1.00 0.00 H new ATOM 0 HA VAL A 335 0.571 -1.808 -2.619 1.00 0.00 H new ATOM 0 HB VAL A 335 0.932 0.697 -4.282 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -1.302 1.504 -3.604 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -1.423 0.072 -4.653 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -1.664 -0.089 -2.897 1.00 0.00 H new ATOM 0 HG21 VAL A 335 0.599 1.741 -2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 335 0.267 0.133 -1.343 1.00 0.00 H new ATOM 0 HG23 VAL A 335 1.885 0.512 -1.980 1.00 0.00 H new ATOM 932 N LYS A 336 0.028 -1.952 -5.840 1.00 0.00 N ATOM 933 CA LYS A 336 -0.835 -2.670 -6.821 1.00 0.00 C ATOM 934 C LYS A 336 -0.597 -4.173 -6.677 1.00 0.00 C ATOM 935 O LYS A 336 -1.514 -4.936 -6.446 1.00 0.00 O ATOM 936 CB LYS A 336 -0.385 -2.175 -8.196 1.00 0.00 C ATOM 937 CG LYS A 336 -1.570 -2.208 -9.165 1.00 0.00 C ATOM 938 CD LYS A 336 -1.793 -0.809 -9.744 1.00 0.00 C ATOM 939 CE LYS A 336 -2.428 -0.926 -11.131 1.00 0.00 C ATOM 940 NZ LYS A 336 -3.891 -1.030 -10.874 1.00 0.00 N ATOM 0 H LYS A 336 0.789 -1.405 -6.244 1.00 0.00 H new ATOM 0 HA LYS A 336 -1.899 -2.486 -6.669 1.00 0.00 H new ATOM 0 HB2 LYS A 336 0.007 -1.161 -8.119 1.00 0.00 H new ATOM 0 HB3 LYS A 336 0.424 -2.801 -8.573 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -1.377 -2.919 -9.968 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -2.468 -2.547 -8.648 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -2.439 -0.230 -9.084 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -0.845 -0.276 -9.810 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -2.196 -0.057 -11.747 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -2.057 -1.802 -11.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -4.397 -1.114 -11.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -4.082 -1.870 -10.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -4.217 -0.179 -10.372 1.00 0.00 H new ATOM 954 N HIS A 337 0.633 -4.604 -6.780 1.00 0.00 N ATOM 955 CA HIS A 337 0.918 -6.056 -6.610 1.00 0.00 C ATOM 956 C HIS A 337 0.423 -6.480 -5.230 1.00 0.00 C ATOM 957 O HIS A 337 -0.203 -7.508 -5.063 1.00 0.00 O ATOM 958 CB HIS A 337 2.437 -6.183 -6.705 1.00 0.00 C ATOM 959 CG HIS A 337 2.837 -6.397 -8.138 1.00 0.00 C ATOM 960 ND1 HIS A 337 2.560 -7.575 -8.816 1.00 0.00 N ATOM 961 CD2 HIS A 337 3.499 -5.596 -9.034 1.00 0.00 C ATOM 962 CE1 HIS A 337 3.050 -7.450 -10.063 1.00 0.00 C ATOM 963 NE2 HIS A 337 3.633 -6.262 -10.249 1.00 0.00 N ATOM 0 H HIS A 337 1.445 -4.018 -6.973 1.00 0.00 H new ATOM 0 HA HIS A 337 0.428 -6.684 -7.354 1.00 0.00 H new ATOM 0 HB2 HIS A 337 2.912 -5.283 -6.315 1.00 0.00 H new ATOM 0 HB3 HIS A 337 2.781 -7.016 -6.093 1.00 0.00 H new ATOM 0 HD2 HIS A 337 3.861 -4.600 -8.828 1.00 0.00 H new ATOM 0 HE1 HIS A 337 2.981 -8.216 -10.821 1.00 0.00 H new ATOM 0 HE2 HIS A 337 4.080 -5.917 -11.099 1.00 0.00 H new ATOM 971 N PHE A 338 0.682 -5.665 -4.243 1.00 0.00 N ATOM 972 CA PHE A 338 0.212 -5.973 -2.866 1.00 0.00 C ATOM 973 C PHE A 338 -1.314 -5.983 -2.858 1.00 0.00 C ATOM 974 O PHE A 338 -1.945 -6.834 -2.265 1.00 0.00 O ATOM 975 CB PHE A 338 0.740 -4.823 -2.016 1.00 0.00 C ATOM 976 CG PHE A 338 0.030 -4.806 -0.685 1.00 0.00 C ATOM 977 CD1 PHE A 338 -0.100 -5.983 0.061 1.00 0.00 C ATOM 978 CD2 PHE A 338 -0.500 -3.607 -0.199 1.00 0.00 C ATOM 979 CE1 PHE A 338 -0.760 -5.959 1.296 1.00 0.00 C ATOM 980 CE2 PHE A 338 -1.160 -3.582 1.034 1.00 0.00 C ATOM 981 CZ PHE A 338 -1.290 -4.758 1.782 1.00 0.00 C ATOM 0 H PHE A 338 1.203 -4.793 -4.335 1.00 0.00 H new ATOM 0 HA PHE A 338 0.554 -6.940 -2.498 1.00 0.00 H new ATOM 0 HB2 PHE A 338 1.814 -4.933 -1.865 1.00 0.00 H new ATOM 0 HB3 PHE A 338 0.586 -3.876 -2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 338 0.308 -6.909 -0.315 1.00 0.00 H new ATOM 0 HD2 PHE A 338 -0.400 -2.700 -0.776 1.00 0.00 H new ATOM 0 HE1 PHE A 338 -0.860 -6.866 1.873 1.00 0.00 H new ATOM 0 HE2 PHE A 338 -1.569 -2.655 1.409 1.00 0.00 H new ATOM 0 HZ PHE A 338 -1.799 -4.739 2.734 1.00 0.00 H new ATOM 991 N GLN A 339 -1.905 -5.033 -3.531 1.00 0.00 N ATOM 992 CA GLN A 339 -3.389 -4.958 -3.596 1.00 0.00 C ATOM 993 C GLN A 339 -3.959 -6.288 -4.090 1.00 0.00 C ATOM 994 O GLN A 339 -4.876 -6.836 -3.512 1.00 0.00 O ATOM 995 CB GLN A 339 -3.670 -3.845 -4.602 1.00 0.00 C ATOM 996 CG GLN A 339 -4.103 -2.580 -3.860 1.00 0.00 C ATOM 997 CD GLN A 339 -4.418 -1.477 -4.872 1.00 0.00 C ATOM 998 OE1 GLN A 339 -4.319 -1.686 -6.065 1.00 0.00 O ATOM 999 NE2 GLN A 339 -4.795 -0.305 -4.443 1.00 0.00 N ATOM 0 H GLN A 339 -1.416 -4.299 -4.043 1.00 0.00 H new ATOM 0 HA GLN A 339 -3.845 -4.760 -2.626 1.00 0.00 H new ATOM 0 HB2 GLN A 339 -2.778 -3.643 -5.195 1.00 0.00 H new ATOM 0 HB3 GLN A 339 -4.451 -4.157 -5.296 1.00 0.00 H new ATOM 0 HG2 GLN A 339 -4.980 -2.787 -3.247 1.00 0.00 H new ATOM 0 HG3 GLN A 339 -3.312 -2.253 -3.184 1.00 0.00 H new ATOM 0 HE21 GLN A 339 -4.878 -0.131 -3.441 1.00 0.00 H new ATOM 0 HE22 GLN A 339 -5.007 0.438 -5.109 1.00 0.00 H new