USER MOD reduce.3.24.130724 H: found=0, std=0, add=286, rem=0, adj=4 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 Set 1.1: A 307 TYR OH : rot 30:sc= -0.46 USER MOD Set 1.2: A 339 GLN : amide:sc= -0.616 K(o=-1.1,f=-3.3!) USER MOD Single : A 293 SER OG : rot 180:sc= 0 USER MOD Single : A 294 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 306 GLN : amide:sc= -0.553 K(o=-0.55,f=0) USER MOD Single : A 310 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 320 THR OG1 : rot -22:sc= 0.507 USER MOD Single : A 323 ASN : amide:sc= -0.524 X(o=-0.52,f=-0.55) USER MOD Single : A 325 THR OG1 : rot 180:sc= 0 USER MOD Single : A 329 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 334 GLN : amide:sc= -0.0725 K(o=-0.073,f=-4.6!) USER MOD Single : A 336 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 337 HIS : no HD1:sc= -1.96! K(o=-2!,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 133 N PRO A 287 10.757 2.092 -0.815 1.00 0.00 N ATOM 134 CA PRO A 287 10.162 0.842 -0.285 1.00 0.00 C ATOM 135 C PRO A 287 10.484 -0.338 -1.206 1.00 0.00 C ATOM 136 O PRO A 287 10.753 -0.168 -2.379 1.00 0.00 O ATOM 137 CB PRO A 287 8.664 1.131 -0.288 1.00 0.00 C ATOM 138 CG PRO A 287 8.472 2.180 -1.339 1.00 0.00 C ATOM 139 CD PRO A 287 9.752 2.970 -1.423 1.00 0.00 C ATOM 0 HA PRO A 287 10.542 0.573 0.701 1.00 0.00 H new ATOM 0 HB2 PRO A 287 8.090 0.233 -0.517 1.00 0.00 H new ATOM 0 HB3 PRO A 287 8.328 1.484 0.687 1.00 0.00 H new ATOM 0 HG2 PRO A 287 8.239 1.722 -2.301 1.00 0.00 H new ATOM 0 HG3 PRO A 287 7.635 2.830 -1.084 1.00 0.00 H new ATOM 0 HD2 PRO A 287 10.005 3.210 -2.456 1.00 0.00 H new ATOM 0 HD3 PRO A 287 9.672 3.916 -0.887 1.00 0.00 H new ATOM 147 N GLU A 288 10.457 -1.534 -0.684 1.00 0.00 N ATOM 148 CA GLU A 288 10.757 -2.723 -1.530 1.00 0.00 C ATOM 149 C GLU A 288 9.452 -3.414 -1.940 1.00 0.00 C ATOM 150 O GLU A 288 9.280 -3.819 -3.073 1.00 0.00 O ATOM 151 CB GLU A 288 11.596 -3.640 -0.640 1.00 0.00 C ATOM 152 CG GLU A 288 12.487 -4.525 -1.514 1.00 0.00 C ATOM 153 CD GLU A 288 12.767 -5.843 -0.789 1.00 0.00 C ATOM 154 OE1 GLU A 288 11.830 -6.418 -0.261 1.00 0.00 O ATOM 155 OE2 GLU A 288 13.916 -6.253 -0.773 1.00 0.00 O ATOM 0 H GLU A 288 10.240 -1.739 0.291 1.00 0.00 H new ATOM 0 HA GLU A 288 11.282 -2.460 -2.449 1.00 0.00 H new ATOM 0 HB2 GLU A 288 12.209 -3.045 0.038 1.00 0.00 H new ATOM 0 HB3 GLU A 288 10.946 -4.259 -0.022 1.00 0.00 H new ATOM 0 HG2 GLU A 288 11.999 -4.720 -2.469 1.00 0.00 H new ATOM 0 HG3 GLU A 288 13.424 -4.012 -1.733 1.00 0.00 H new ATOM 162 N ARG A 289 8.532 -3.547 -1.024 1.00 0.00 N ATOM 163 CA ARG A 289 7.235 -4.207 -1.352 1.00 0.00 C ATOM 164 C ARG A 289 6.301 -4.149 -0.139 1.00 0.00 C ATOM 165 O ARG A 289 6.726 -3.882 0.968 1.00 0.00 O ATOM 166 CB ARG A 289 7.597 -5.654 -1.686 1.00 0.00 C ATOM 167 CG ARG A 289 8.363 -6.275 -0.516 1.00 0.00 C ATOM 168 CD ARG A 289 9.201 -7.454 -1.016 1.00 0.00 C ATOM 169 NE ARG A 289 9.766 -8.074 0.215 1.00 0.00 N ATOM 170 CZ ARG A 289 9.877 -9.371 0.302 1.00 0.00 C ATOM 171 NH1 ARG A 289 8.880 -10.084 0.751 1.00 0.00 N ATOM 172 NH2 ARG A 289 10.985 -9.958 -0.062 1.00 0.00 N ATOM 0 H ARG A 289 8.622 -3.226 -0.060 1.00 0.00 H new ATOM 0 HA ARG A 289 6.717 -3.721 -2.179 1.00 0.00 H new ATOM 0 HB2 ARG A 289 6.693 -6.228 -1.888 1.00 0.00 H new ATOM 0 HB3 ARG A 289 8.204 -5.688 -2.590 1.00 0.00 H new ATOM 0 HG2 ARG A 289 9.008 -5.528 -0.054 1.00 0.00 H new ATOM 0 HG3 ARG A 289 7.665 -6.612 0.251 1.00 0.00 H new ATOM 0 HD2 ARG A 289 8.590 -8.165 -1.571 1.00 0.00 H new ATOM 0 HD3 ARG A 289 9.991 -7.120 -1.688 1.00 0.00 H new ATOM 0 HE ARG A 289 10.066 -7.484 0.991 1.00 0.00 H new ATOM 0 HH11 ARG A 289 8.013 -9.627 1.034 1.00 0.00 H new ATOM 0 HH12 ARG A 289 8.968 -11.098 0.819 1.00 0.00 H new ATOM 0 HH21 ARG A 289 11.764 -9.403 -0.415 1.00 0.00 H new ATOM 0 HH22 ARG A 289 11.071 -10.972 0.006 1.00 0.00 H new ATOM 186 N ILE A 290 5.033 -4.394 -0.333 1.00 0.00 N ATOM 187 CA ILE A 290 4.087 -4.346 0.820 1.00 0.00 C ATOM 188 C ILE A 290 4.017 -5.709 1.509 1.00 0.00 C ATOM 189 O ILE A 290 4.213 -6.740 0.896 1.00 0.00 O ATOM 190 CB ILE A 290 2.721 -4.007 0.226 1.00 0.00 C ATOM 191 CG1 ILE A 290 2.857 -2.915 -0.836 1.00 0.00 C ATOM 192 CG2 ILE A 290 1.798 -3.514 1.340 1.00 0.00 C ATOM 193 CD1 ILE A 290 3.500 -1.679 -0.215 1.00 0.00 C ATOM 0 H ILE A 290 4.613 -4.624 -1.234 1.00 0.00 H new ATOM 0 HA ILE A 290 4.406 -3.614 1.562 1.00 0.00 H new ATOM 0 HB ILE A 290 2.305 -4.901 -0.238 1.00 0.00 H new ATOM 0 HG12 ILE A 290 3.463 -3.275 -1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 290 1.877 -2.663 -1.242 1.00 0.00 H new ATOM 0 HG21 ILE A 290 0.821 -3.270 0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 290 1.686 -4.295 2.092 1.00 0.00 H new ATOM 0 HG23 ILE A 290 2.227 -2.625 1.801 1.00 0.00 H new ATOM 0 HD11 ILE A 290 3.597 -0.900 -0.972 1.00 0.00 H new ATOM 0 HD12 ILE A 290 2.876 -1.316 0.602 1.00 0.00 H new ATOM 0 HD13 ILE A 290 4.487 -1.937 0.169 1.00 0.00 H new ATOM 205 N ILE A 291 3.719 -5.721 2.777 1.00 0.00 N ATOM 206 CA ILE A 291 3.610 -7.014 3.511 1.00 0.00 C ATOM 207 C ILE A 291 2.221 -7.136 4.125 1.00 0.00 C ATOM 208 O ILE A 291 1.632 -8.198 4.161 1.00 0.00 O ATOM 209 CB ILE A 291 4.676 -6.980 4.610 1.00 0.00 C ATOM 210 CG1 ILE A 291 4.944 -5.532 5.060 1.00 0.00 C ATOM 211 CG2 ILE A 291 5.962 -7.605 4.079 1.00 0.00 C ATOM 212 CD1 ILE A 291 5.895 -4.840 4.077 1.00 0.00 C ATOM 0 H ILE A 291 3.545 -4.888 3.340 1.00 0.00 H new ATOM 0 HA ILE A 291 3.760 -7.867 2.849 1.00 0.00 H new ATOM 0 HB ILE A 291 4.319 -7.546 5.471 1.00 0.00 H new ATOM 0 HG12 ILE A 291 4.005 -4.982 5.117 1.00 0.00 H new ATOM 0 HG13 ILE A 291 5.377 -5.528 6.060 1.00 0.00 H new ATOM 0 HG21 ILE A 291 6.725 -7.584 4.857 1.00 0.00 H new ATOM 0 HG22 ILE A 291 5.771 -8.637 3.786 1.00 0.00 H new ATOM 0 HG23 ILE A 291 6.310 -7.041 3.214 1.00 0.00 H new ATOM 0 HD11 ILE A 291 6.077 -3.817 4.406 1.00 0.00 H new ATOM 0 HD12 ILE A 291 6.839 -5.383 4.041 1.00 0.00 H new ATOM 0 HD13 ILE A 291 5.446 -4.827 3.084 1.00 0.00 H new ATOM 224 N ASP A 292 1.692 -6.049 4.604 1.00 0.00 N ATOM 225 CA ASP A 292 0.338 -6.087 5.214 1.00 0.00 C ATOM 226 C ASP A 292 -0.346 -4.724 5.057 1.00 0.00 C ATOM 227 O ASP A 292 0.269 -3.756 4.656 1.00 0.00 O ATOM 228 CB ASP A 292 0.575 -6.406 6.690 1.00 0.00 C ATOM 229 CG ASP A 292 -0.766 -6.688 7.373 1.00 0.00 C ATOM 230 OD1 ASP A 292 -1.506 -5.744 7.593 1.00 0.00 O ATOM 231 OD2 ASP A 292 -1.029 -7.844 7.663 1.00 0.00 O ATOM 0 H ASP A 292 2.140 -5.133 4.599 1.00 0.00 H new ATOM 0 HA ASP A 292 -0.310 -6.825 4.741 1.00 0.00 H new ATOM 0 HB2 ASP A 292 1.233 -7.270 6.785 1.00 0.00 H new ATOM 0 HB3 ASP A 292 1.075 -5.569 7.178 1.00 0.00 H new ATOM 236 N SER A 293 -1.611 -4.638 5.371 1.00 0.00 N ATOM 237 CA SER A 293 -2.322 -3.333 5.236 1.00 0.00 C ATOM 238 C SER A 293 -3.113 -3.024 6.511 1.00 0.00 C ATOM 239 O SER A 293 -3.445 -3.908 7.275 1.00 0.00 O ATOM 240 CB SER A 293 -3.269 -3.513 4.052 1.00 0.00 C ATOM 241 OG SER A 293 -3.762 -4.847 4.044 1.00 0.00 O ATOM 0 H SER A 293 -2.181 -5.411 5.714 1.00 0.00 H new ATOM 0 HA SER A 293 -1.630 -2.505 5.082 1.00 0.00 H new ATOM 0 HB2 SER A 293 -4.097 -2.807 4.123 1.00 0.00 H new ATOM 0 HB3 SER A 293 -2.748 -3.300 3.119 1.00 0.00 H new ATOM 0 HG SER A 293 -4.372 -4.966 3.286 1.00 0.00 H new ATOM 247 N GLN A 294 -3.416 -1.776 6.748 1.00 0.00 N ATOM 248 CA GLN A 294 -4.183 -1.417 7.976 1.00 0.00 C ATOM 249 C GLN A 294 -5.177 -0.289 7.681 1.00 0.00 C ATOM 250 O GLN A 294 -4.832 0.876 7.694 1.00 0.00 O ATOM 251 CB GLN A 294 -3.126 -0.948 8.976 1.00 0.00 C ATOM 252 CG GLN A 294 -3.689 -1.044 10.395 1.00 0.00 C ATOM 253 CD GLN A 294 -2.855 -0.175 11.337 1.00 0.00 C ATOM 254 OE1 GLN A 294 -1.712 -0.482 11.613 1.00 0.00 O ATOM 255 NE2 GLN A 294 -3.381 0.905 11.848 1.00 0.00 N ATOM 0 H GLN A 294 -3.166 -0.991 6.146 1.00 0.00 H new ATOM 0 HA GLN A 294 -4.766 -2.257 8.355 1.00 0.00 H new ATOM 0 HB2 GLN A 294 -2.229 -1.560 8.887 1.00 0.00 H new ATOM 0 HB3 GLN A 294 -2.834 0.079 8.758 1.00 0.00 H new ATOM 0 HG2 GLN A 294 -4.729 -0.717 10.407 1.00 0.00 H new ATOM 0 HG3 GLN A 294 -3.676 -2.080 10.733 1.00 0.00 H new ATOM 0 HE21 GLN A 294 -4.340 1.164 11.617 1.00 0.00 H new ATOM 0 HE22 GLN A 294 -2.833 1.490 12.478 1.00 0.00 H new ATOM 404 N LEU A 305 -6.277 4.837 5.747 1.00 0.00 N ATOM 405 CA LEU A 305 -5.719 3.544 5.259 1.00 0.00 C ATOM 406 C LEU A 305 -4.192 3.561 5.360 1.00 0.00 C ATOM 407 O LEU A 305 -3.555 4.563 5.107 1.00 0.00 O ATOM 408 CB LEU A 305 -6.164 3.454 3.798 1.00 0.00 C ATOM 409 CG LEU A 305 -5.329 2.399 3.073 1.00 0.00 C ATOM 410 CD1 LEU A 305 -5.558 1.032 3.718 1.00 0.00 C ATOM 411 CD2 LEU A 305 -5.746 2.343 1.603 1.00 0.00 C ATOM 0 HA LEU A 305 -6.065 2.691 5.843 1.00 0.00 H new ATOM 0 HB2 LEU A 305 -7.222 3.195 3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 305 -6.048 4.422 3.311 1.00 0.00 H new ATOM 0 HG LEU A 305 -4.273 2.661 3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 305 -4.962 0.281 3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 305 -5.262 1.070 4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 305 -6.613 0.769 3.648 1.00 0.00 H new ATOM 0 HD21 LEU A 305 -5.151 1.591 1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 305 -6.802 2.081 1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 305 -5.582 3.317 1.141 1.00 0.00 H new ATOM 423 N GLN A 306 -3.599 2.460 5.730 1.00 0.00 N ATOM 424 CA GLN A 306 -2.113 2.421 5.847 1.00 0.00 C ATOM 425 C GLN A 306 -1.573 1.087 5.323 1.00 0.00 C ATOM 426 O GLN A 306 -2.124 0.037 5.587 1.00 0.00 O ATOM 427 CB GLN A 306 -1.830 2.564 7.341 1.00 0.00 C ATOM 428 CG GLN A 306 -2.100 4.005 7.777 1.00 0.00 C ATOM 429 CD GLN A 306 -0.849 4.582 8.443 1.00 0.00 C ATOM 430 OE1 GLN A 306 -0.402 4.082 9.457 1.00 0.00 O ATOM 431 NE2 GLN A 306 -0.263 5.620 7.914 1.00 0.00 N ATOM 0 H GLN A 306 -4.077 1.588 5.956 1.00 0.00 H new ATOM 0 HA GLN A 306 -1.633 3.207 5.264 1.00 0.00 H new ATOM 0 HB2 GLN A 306 -2.459 1.878 7.908 1.00 0.00 H new ATOM 0 HB3 GLN A 306 -0.795 2.297 7.553 1.00 0.00 H new ATOM 0 HG2 GLN A 306 -2.377 4.611 6.914 1.00 0.00 H new ATOM 0 HG3 GLN A 306 -2.940 4.034 8.471 1.00 0.00 H new ATOM 0 HE21 GLN A 306 -0.638 6.039 7.063 1.00 0.00 H new ATOM 0 HE22 GLN A 306 0.571 6.013 8.351 1.00 0.00 H new ATOM 440 N TYR A 307 -0.497 1.124 4.587 1.00 0.00 N ATOM 441 CA TYR A 307 0.085 -0.138 4.047 1.00 0.00 C ATOM 442 C TYR A 307 1.453 -0.401 4.680 1.00 0.00 C ATOM 443 O TYR A 307 2.323 0.447 4.669 1.00 0.00 O ATOM 444 CB TYR A 307 0.252 0.108 2.547 1.00 0.00 C ATOM 445 CG TYR A 307 -0.972 -0.360 1.792 1.00 0.00 C ATOM 446 CD1 TYR A 307 -2.172 -0.623 2.467 1.00 0.00 C ATOM 447 CD2 TYR A 307 -0.900 -0.532 0.405 1.00 0.00 C ATOM 448 CE1 TYR A 307 -3.296 -1.056 1.750 1.00 0.00 C ATOM 449 CE2 TYR A 307 -2.022 -0.965 -0.310 1.00 0.00 C ATOM 450 CZ TYR A 307 -3.221 -1.226 0.364 1.00 0.00 C ATOM 451 OH TYR A 307 -4.328 -1.654 -0.341 1.00 0.00 O ATOM 0 H TYR A 307 0.006 1.975 4.335 1.00 0.00 H new ATOM 0 HA TYR A 307 -0.547 -1.000 4.259 1.00 0.00 H new ATOM 0 HB2 TYR A 307 0.416 1.170 2.363 1.00 0.00 H new ATOM 0 HB3 TYR A 307 1.134 -0.418 2.183 1.00 0.00 H new ATOM 0 HD1 TYR A 307 -2.230 -0.492 3.537 1.00 0.00 H new ATOM 0 HD2 TYR A 307 0.025 -0.330 -0.115 1.00 0.00 H new ATOM 0 HE1 TYR A 307 -4.221 -1.259 2.269 1.00 0.00 H new ATOM 0 HE2 TYR A 307 -1.963 -1.098 -1.380 1.00 0.00 H new ATOM 0 HH TYR A 307 -5.142 -1.349 0.111 1.00 0.00 H new ATOM 461 N LEU A 308 1.659 -1.571 5.214 1.00 0.00 N ATOM 462 CA LEU A 308 2.983 -1.882 5.824 1.00 0.00 C ATOM 463 C LEU A 308 4.015 -2.055 4.707 1.00 0.00 C ATOM 464 O LEU A 308 3.792 -2.779 3.758 1.00 0.00 O ATOM 465 CB LEU A 308 2.776 -3.192 6.583 1.00 0.00 C ATOM 466 CG LEU A 308 4.002 -3.484 7.448 1.00 0.00 C ATOM 467 CD1 LEU A 308 4.042 -2.509 8.625 1.00 0.00 C ATOM 468 CD2 LEU A 308 3.919 -4.917 7.977 1.00 0.00 C ATOM 0 H LEU A 308 0.972 -2.324 5.255 1.00 0.00 H new ATOM 0 HA LEU A 308 3.344 -1.096 6.487 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.885 -3.125 7.208 1.00 0.00 H new ATOM 0 HB3 LEU A 308 2.612 -4.009 5.880 1.00 0.00 H new ATOM 0 HG LEU A 308 4.905 -3.366 6.850 1.00 0.00 H new ATOM 0 HD11 LEU A 308 4.917 -2.718 9.241 1.00 0.00 H new ATOM 0 HD12 LEU A 308 4.099 -1.487 8.249 1.00 0.00 H new ATOM 0 HD13 LEU A 308 3.139 -2.626 9.225 1.00 0.00 H new ATOM 0 HD21 LEU A 308 4.792 -5.128 8.594 1.00 0.00 H new ATOM 0 HD22 LEU A 308 3.015 -5.032 8.575 1.00 0.00 H new ATOM 0 HD23 LEU A 308 3.890 -5.613 7.139 1.00 0.00 H new ATOM 480 N VAL A 309 5.131 -1.387 4.797 1.00 0.00 N ATOM 481 CA VAL A 309 6.153 -1.512 3.718 1.00 0.00 C ATOM 482 C VAL A 309 7.493 -1.992 4.279 1.00 0.00 C ATOM 483 O VAL A 309 7.827 -1.750 5.422 1.00 0.00 O ATOM 484 CB VAL A 309 6.290 -0.103 3.146 1.00 0.00 C ATOM 485 CG1 VAL A 309 7.055 -0.161 1.824 1.00 0.00 C ATOM 486 CG2 VAL A 309 4.900 0.486 2.903 1.00 0.00 C ATOM 0 H VAL A 309 5.380 -0.764 5.565 1.00 0.00 H new ATOM 0 HA VAL A 309 5.858 -2.242 2.964 1.00 0.00 H new ATOM 0 HB VAL A 309 6.833 0.524 3.853 1.00 0.00 H new ATOM 0 HG11 VAL A 309 7.153 0.845 1.416 1.00 0.00 H new ATOM 0 HG12 VAL A 309 8.046 -0.581 1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 309 6.512 -0.788 1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 309 4.997 1.492 2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 309 4.357 -0.142 2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 309 4.353 0.528 3.845 1.00 0.00 H new ATOM 496 N LYS A 310 8.266 -2.663 3.468 1.00 0.00 N ATOM 497 CA LYS A 310 9.594 -3.156 3.931 1.00 0.00 C ATOM 498 C LYS A 310 10.708 -2.405 3.196 1.00 0.00 C ATOM 499 O LYS A 310 11.091 -2.761 2.099 1.00 0.00 O ATOM 500 CB LYS A 310 9.615 -4.641 3.564 1.00 0.00 C ATOM 501 CG LYS A 310 9.990 -5.468 4.794 1.00 0.00 C ATOM 502 CD LYS A 310 10.507 -6.838 4.351 1.00 0.00 C ATOM 503 CE LYS A 310 9.341 -7.681 3.833 1.00 0.00 C ATOM 504 NZ LYS A 310 9.189 -8.784 4.823 1.00 0.00 N ATOM 0 H LYS A 310 8.033 -2.891 2.501 1.00 0.00 H new ATOM 0 HA LYS A 310 9.749 -3.001 4.999 1.00 0.00 H new ATOM 0 HB2 LYS A 310 8.638 -4.948 3.191 1.00 0.00 H new ATOM 0 HB3 LYS A 310 10.332 -4.818 2.762 1.00 0.00 H new ATOM 0 HG2 LYS A 310 10.753 -4.950 5.374 1.00 0.00 H new ATOM 0 HG3 LYS A 310 9.122 -5.588 5.443 1.00 0.00 H new ATOM 0 HD2 LYS A 310 11.259 -6.720 3.571 1.00 0.00 H new ATOM 0 HD3 LYS A 310 10.992 -7.343 5.187 1.00 0.00 H new ATOM 0 HE2 LYS A 310 8.429 -7.089 3.759 1.00 0.00 H new ATOM 0 HE3 LYS A 310 9.549 -8.071 2.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 310 8.406 -9.405 4.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 310 10.070 -9.335 4.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 310 8.985 -8.383 5.761 1.00 0.00 H new ATOM 681 N THR A 320 7.961 -0.791 8.283 1.00 0.00 N ATOM 682 CA THR A 320 7.051 -0.058 9.210 1.00 0.00 C ATOM 683 C THR A 320 5.682 0.144 8.556 1.00 0.00 C ATOM 684 O THR A 320 5.332 -0.531 7.609 1.00 0.00 O ATOM 685 CB THR A 320 7.732 1.289 9.457 1.00 0.00 C ATOM 686 OG1 THR A 320 8.179 1.825 8.219 1.00 0.00 O ATOM 687 CG2 THR A 320 8.925 1.097 10.393 1.00 0.00 C ATOM 0 HA THR A 320 6.883 -0.603 10.139 1.00 0.00 H new ATOM 0 HB THR A 320 7.022 1.977 9.916 1.00 0.00 H new ATOM 0 HG1 THR A 320 8.273 1.102 7.564 1.00 0.00 H new ATOM 0 HG21 THR A 320 9.409 2.058 10.568 1.00 0.00 H new ATOM 0 HG22 THR A 320 8.580 0.686 11.342 1.00 0.00 H new ATOM 0 HG23 THR A 320 9.638 0.409 9.938 1.00 0.00 H new ATOM 695 N TRP A 321 4.902 1.064 9.055 1.00 0.00 N ATOM 696 CA TRP A 321 3.556 1.299 8.460 1.00 0.00 C ATOM 697 C TRP A 321 3.486 2.687 7.817 1.00 0.00 C ATOM 698 O TRP A 321 3.935 3.666 8.377 1.00 0.00 O ATOM 699 CB TRP A 321 2.583 1.212 9.634 1.00 0.00 C ATOM 700 CG TRP A 321 2.137 -0.203 9.809 1.00 0.00 C ATOM 701 CD1 TRP A 321 2.516 -1.016 10.821 1.00 0.00 C ATOM 702 CD2 TRP A 321 1.238 -0.985 8.970 1.00 0.00 C ATOM 703 NE1 TRP A 321 1.905 -2.247 10.658 1.00 0.00 N ATOM 704 CE2 TRP A 321 1.108 -2.277 9.531 1.00 0.00 C ATOM 705 CE3 TRP A 321 0.528 -0.700 7.788 1.00 0.00 C ATOM 706 CZ2 TRP A 321 0.303 -3.253 8.941 1.00 0.00 C ATOM 707 CZ3 TRP A 321 -0.282 -1.681 7.193 1.00 0.00 C ATOM 708 CH2 TRP A 321 -0.393 -2.954 7.768 1.00 0.00 C ATOM 0 H TRP A 321 5.138 1.662 9.847 1.00 0.00 H new ATOM 0 HA TRP A 321 3.326 0.576 7.678 1.00 0.00 H new ATOM 0 HB2 TRP A 321 3.064 1.568 10.545 1.00 0.00 H new ATOM 0 HB3 TRP A 321 1.722 1.856 9.455 1.00 0.00 H new ATOM 0 HD1 TRP A 321 3.186 -0.748 11.625 1.00 0.00 H new ATOM 0 HE1 TRP A 321 2.028 -3.036 11.293 1.00 0.00 H new ATOM 0 HE3 TRP A 321 0.607 0.278 7.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 321 0.219 -4.232 9.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 321 -0.823 -1.453 6.286 1.00 0.00 H new ATOM 0 HH2 TRP A 321 -1.017 -3.704 7.304 1.00 0.00 H new ATOM 719 N GLU A 322 2.917 2.773 6.648 1.00 0.00 N ATOM 720 CA GLU A 322 2.803 4.093 5.965 1.00 0.00 C ATOM 721 C GLU A 322 1.438 4.198 5.282 1.00 0.00 C ATOM 722 O GLU A 322 0.784 3.204 5.037 1.00 0.00 O ATOM 723 CB GLU A 322 3.924 4.100 4.924 1.00 0.00 C ATOM 724 CG GLU A 322 5.224 4.582 5.570 1.00 0.00 C ATOM 725 CD GLU A 322 5.851 5.675 4.701 1.00 0.00 C ATOM 726 OE1 GLU A 322 5.131 6.582 4.314 1.00 0.00 O ATOM 727 OE2 GLU A 322 7.039 5.586 4.437 1.00 0.00 O ATOM 0 H GLU A 322 2.525 1.984 6.134 1.00 0.00 H new ATOM 0 HA GLU A 322 2.889 4.932 6.656 1.00 0.00 H new ATOM 0 HB2 GLU A 322 4.059 3.099 4.514 1.00 0.00 H new ATOM 0 HB3 GLU A 322 3.657 4.751 4.092 1.00 0.00 H new ATOM 0 HG2 GLU A 322 5.025 4.967 6.570 1.00 0.00 H new ATOM 0 HG3 GLU A 322 5.918 3.749 5.682 1.00 0.00 H new ATOM 734 N ASN A 323 1.002 5.385 4.965 1.00 0.00 N ATOM 735 CA ASN A 323 -0.315 5.525 4.294 1.00 0.00 C ATOM 736 C ASN A 323 -0.304 4.742 2.984 1.00 0.00 C ATOM 737 O ASN A 323 0.617 4.846 2.198 1.00 0.00 O ATOM 738 CB ASN A 323 -0.466 7.023 4.025 1.00 0.00 C ATOM 739 CG ASN A 323 -0.889 7.735 5.312 1.00 0.00 C ATOM 740 OD1 ASN A 323 -0.056 8.220 6.053 1.00 0.00 O ATOM 741 ND2 ASN A 323 -2.156 7.818 5.612 1.00 0.00 N ATOM 0 H ASN A 323 1.499 6.258 5.141 1.00 0.00 H new ATOM 0 HA ASN A 323 -1.138 5.140 4.896 1.00 0.00 H new ATOM 0 HB2 ASN A 323 0.476 7.435 3.662 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -1.208 7.190 3.244 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -2.448 8.290 6.468 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -2.855 7.411 4.990 1.00 0.00 H new ATOM 748 N ALA A 324 -1.319 3.968 2.734 1.00 0.00 N ATOM 749 CA ALA A 324 -1.355 3.197 1.464 1.00 0.00 C ATOM 750 C ALA A 324 -1.436 4.182 0.306 1.00 0.00 C ATOM 751 O ALA A 324 -1.151 3.860 -0.826 1.00 0.00 O ATOM 752 CB ALA A 324 -2.624 2.350 1.542 1.00 0.00 C ATOM 0 H ALA A 324 -2.121 3.836 3.350 1.00 0.00 H new ATOM 0 HA ALA A 324 -0.475 2.571 1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -2.718 1.752 0.636 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -2.569 1.691 2.408 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -3.492 3.003 1.638 1.00 0.00 H new ATOM 758 N THR A 325 -1.814 5.392 0.600 1.00 0.00 N ATOM 759 CA THR A 325 -1.915 6.425 -0.462 1.00 0.00 C ATOM 760 C THR A 325 -0.514 6.902 -0.846 1.00 0.00 C ATOM 761 O THR A 325 -0.181 7.017 -2.008 1.00 0.00 O ATOM 762 CB THR A 325 -2.738 7.544 0.183 1.00 0.00 C ATOM 763 OG1 THR A 325 -4.120 7.272 0.004 1.00 0.00 O ATOM 764 CG2 THR A 325 -2.396 8.888 -0.454 1.00 0.00 C ATOM 0 H THR A 325 -2.059 5.711 1.537 1.00 0.00 H new ATOM 0 HA THR A 325 -2.379 6.065 -1.380 1.00 0.00 H new ATOM 0 HB THR A 325 -2.504 7.590 1.247 1.00 0.00 H new ATOM 0 HG1 THR A 325 -4.650 7.985 0.417 1.00 0.00 H new ATOM 0 HG21 THR A 325 -2.989 9.674 0.014 1.00 0.00 H new ATOM 0 HG22 THR A 325 -1.336 9.099 -0.312 1.00 0.00 H new ATOM 0 HG23 THR A 325 -2.619 8.852 -1.520 1.00 0.00 H new ATOM 772 N ASP A 326 0.312 7.167 0.124 1.00 0.00 N ATOM 773 CA ASP A 326 1.695 7.617 -0.185 1.00 0.00 C ATOM 774 C ASP A 326 2.450 6.480 -0.868 1.00 0.00 C ATOM 775 O ASP A 326 3.012 6.645 -1.930 1.00 0.00 O ATOM 776 CB ASP A 326 2.320 7.949 1.170 1.00 0.00 C ATOM 777 CG ASP A 326 2.148 9.442 1.461 1.00 0.00 C ATOM 778 OD1 ASP A 326 1.446 10.096 0.708 1.00 0.00 O ATOM 779 OD2 ASP A 326 2.722 9.906 2.433 1.00 0.00 O ATOM 0 H ASP A 326 0.090 7.092 1.117 1.00 0.00 H new ATOM 0 HA ASP A 326 1.723 8.477 -0.854 1.00 0.00 H new ATOM 0 HB2 ASP A 326 1.847 7.358 1.955 1.00 0.00 H new ATOM 0 HB3 ASP A 326 3.378 7.688 1.168 1.00 0.00 H new ATOM 784 N ILE A 327 2.455 5.317 -0.279 1.00 0.00 N ATOM 785 CA ILE A 327 3.163 4.178 -0.924 1.00 0.00 C ATOM 786 C ILE A 327 2.567 3.934 -2.314 1.00 0.00 C ATOM 787 O ILE A 327 3.235 3.460 -3.208 1.00 0.00 O ATOM 788 CB ILE A 327 2.935 2.978 -0.003 1.00 0.00 C ATOM 789 CG1 ILE A 327 3.732 3.179 1.287 1.00 0.00 C ATOM 790 CG2 ILE A 327 3.417 1.700 -0.693 1.00 0.00 C ATOM 791 CD1 ILE A 327 5.187 3.497 0.935 1.00 0.00 C ATOM 0 H ILE A 327 2.004 5.107 0.612 1.00 0.00 H new ATOM 0 HA ILE A 327 4.228 4.365 -1.059 1.00 0.00 H new ATOM 0 HB ILE A 327 1.872 2.891 0.223 1.00 0.00 H new ATOM 0 HG12 ILE A 327 3.301 3.991 1.872 1.00 0.00 H new ATOM 0 HG13 ILE A 327 3.682 2.281 1.903 1.00 0.00 H new ATOM 0 HG21 ILE A 327 3.253 0.847 -0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 327 2.861 1.555 -1.620 1.00 0.00 H new ATOM 0 HG23 ILE A 327 4.480 1.786 -0.917 1.00 0.00 H new ATOM 0 HD11 ILE A 327 5.760 3.641 1.851 1.00 0.00 H new ATOM 0 HD12 ILE A 327 5.613 2.670 0.367 1.00 0.00 H new ATOM 0 HD13 ILE A 327 5.226 4.407 0.336 1.00 0.00 H new ATOM 803 N VAL A 328 1.320 4.276 -2.512 1.00 0.00 N ATOM 804 CA VAL A 328 0.711 4.085 -3.860 1.00 0.00 C ATOM 805 C VAL A 328 1.436 5.000 -4.844 1.00 0.00 C ATOM 806 O VAL A 328 1.847 4.592 -5.911 1.00 0.00 O ATOM 807 CB VAL A 328 -0.759 4.495 -3.698 1.00 0.00 C ATOM 808 CG1 VAL A 328 -1.318 5.029 -5.021 1.00 0.00 C ATOM 809 CG2 VAL A 328 -1.576 3.281 -3.266 1.00 0.00 C ATOM 0 H VAL A 328 0.703 4.676 -1.805 1.00 0.00 H new ATOM 0 HA VAL A 328 0.788 3.064 -4.235 1.00 0.00 H new ATOM 0 HB VAL A 328 -0.822 5.280 -2.944 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -2.361 5.315 -4.886 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -0.741 5.899 -5.335 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -1.250 4.254 -5.784 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -2.621 3.568 -3.150 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -1.496 2.501 -4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -1.195 2.905 -2.316 1.00 0.00 H new ATOM 819 N LYS A 329 1.609 6.236 -4.471 1.00 0.00 N ATOM 820 CA LYS A 329 2.325 7.194 -5.360 1.00 0.00 C ATOM 821 C LYS A 329 3.836 6.976 -5.224 1.00 0.00 C ATOM 822 O LYS A 329 4.571 7.021 -6.191 1.00 0.00 O ATOM 823 CB LYS A 329 1.904 8.588 -4.874 1.00 0.00 C ATOM 824 CG LYS A 329 2.727 9.006 -3.652 1.00 0.00 C ATOM 825 CD LYS A 329 2.497 10.491 -3.374 1.00 0.00 C ATOM 826 CE LYS A 329 2.837 11.303 -4.624 1.00 0.00 C ATOM 827 NZ LYS A 329 3.193 12.658 -4.118 1.00 0.00 N ATOM 0 H LYS A 329 1.285 6.626 -3.586 1.00 0.00 H new ATOM 0 HA LYS A 329 2.082 7.065 -6.415 1.00 0.00 H new ATOM 0 HB2 LYS A 329 2.039 9.314 -5.675 1.00 0.00 H new ATOM 0 HB3 LYS A 329 0.844 8.586 -4.621 1.00 0.00 H new ATOM 0 HG2 LYS A 329 2.439 8.413 -2.784 1.00 0.00 H new ATOM 0 HG3 LYS A 329 3.786 8.817 -3.830 1.00 0.00 H new ATOM 0 HD2 LYS A 329 1.459 10.662 -3.088 1.00 0.00 H new ATOM 0 HD3 LYS A 329 3.116 10.815 -2.537 1.00 0.00 H new ATOM 0 HE2 LYS A 329 3.666 10.856 -5.172 1.00 0.00 H new ATOM 0 HE3 LYS A 329 1.990 11.347 -5.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 329 3.439 13.274 -4.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 329 2.382 13.062 -3.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 329 4.007 12.586 -3.474 1.00 0.00 H new ATOM 841 N LEU A 330 4.298 6.715 -4.030 1.00 0.00 N ATOM 842 CA LEU A 330 5.753 6.460 -3.825 1.00 0.00 C ATOM 843 C LEU A 330 6.118 5.139 -4.497 1.00 0.00 C ATOM 844 O LEU A 330 7.027 5.056 -5.299 1.00 0.00 O ATOM 845 CB LEU A 330 5.922 6.345 -2.311 1.00 0.00 C ATOM 846 CG LEU A 330 7.239 6.993 -1.887 1.00 0.00 C ATOM 847 CD1 LEU A 330 7.048 8.504 -1.753 1.00 0.00 C ATOM 848 CD2 LEU A 330 7.675 6.415 -0.539 1.00 0.00 C ATOM 0 H LEU A 330 3.728 6.667 -3.185 1.00 0.00 H new ATOM 0 HA LEU A 330 6.388 7.241 -4.244 1.00 0.00 H new ATOM 0 HB2 LEU A 330 5.088 6.830 -1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 330 5.909 5.297 -2.013 1.00 0.00 H new ATOM 0 HG LEU A 330 8.002 6.790 -2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 330 7.989 8.964 -1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 330 6.733 8.917 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 330 6.286 8.709 -1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 330 8.615 6.875 -0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 330 6.910 6.620 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 330 7.812 5.338 -0.632 1.00 0.00 H new ATOM 860 N ALA A 331 5.387 4.110 -4.178 1.00 0.00 N ATOM 861 CA ALA A 331 5.636 2.777 -4.788 1.00 0.00 C ATOM 862 C ALA A 331 4.299 2.185 -5.240 1.00 0.00 C ATOM 863 O ALA A 331 3.722 1.361 -4.557 1.00 0.00 O ATOM 864 CB ALA A 331 6.257 1.933 -3.674 1.00 0.00 C ATOM 0 H ALA A 331 4.616 4.137 -3.511 1.00 0.00 H new ATOM 0 HA ALA A 331 6.291 2.821 -5.658 1.00 0.00 H new ATOM 0 HB1 ALA A 331 6.469 0.932 -4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 331 7.184 2.398 -3.339 1.00 0.00 H new ATOM 0 HB3 ALA A 331 5.561 1.866 -2.838 1.00 0.00 H new ATOM 870 N PRO A 332 3.845 2.644 -6.375 1.00 0.00 N ATOM 871 CA PRO A 332 2.548 2.175 -6.929 1.00 0.00 C ATOM 872 C PRO A 332 2.636 0.703 -7.338 1.00 0.00 C ATOM 873 O PRO A 332 1.901 -0.131 -6.846 1.00 0.00 O ATOM 874 CB PRO A 332 2.335 3.075 -8.147 1.00 0.00 C ATOM 875 CG PRO A 332 3.706 3.531 -8.530 1.00 0.00 C ATOM 876 CD PRO A 332 4.493 3.626 -7.250 1.00 0.00 C ATOM 0 HA PRO A 332 1.728 2.235 -6.213 1.00 0.00 H new ATOM 0 HB2 PRO A 332 1.857 2.531 -8.962 1.00 0.00 H new ATOM 0 HB3 PRO A 332 1.690 3.920 -7.906 1.00 0.00 H new ATOM 0 HG2 PRO A 332 4.171 2.828 -9.221 1.00 0.00 H new ATOM 0 HG3 PRO A 332 3.668 4.496 -9.035 1.00 0.00 H new ATOM 0 HD2 PRO A 332 5.545 3.390 -7.408 1.00 0.00 H new ATOM 0 HD3 PRO A 332 4.451 4.630 -6.827 1.00 0.00 H new ATOM 884 N GLU A 333 3.530 0.371 -8.230 1.00 0.00 N ATOM 885 CA GLU A 333 3.656 -1.050 -8.659 1.00 0.00 C ATOM 886 C GLU A 333 3.634 -1.963 -7.432 1.00 0.00 C ATOM 887 O GLU A 333 3.043 -3.024 -7.445 1.00 0.00 O ATOM 888 CB GLU A 333 5.007 -1.136 -9.370 1.00 0.00 C ATOM 889 CG GLU A 333 5.043 -2.388 -10.249 1.00 0.00 C ATOM 890 CD GLU A 333 6.481 -2.664 -10.689 1.00 0.00 C ATOM 891 OE1 GLU A 333 7.252 -1.720 -10.750 1.00 0.00 O ATOM 892 OE2 GLU A 333 6.789 -3.814 -10.958 1.00 0.00 O ATOM 0 H GLU A 333 4.176 1.020 -8.678 1.00 0.00 H new ATOM 0 HA GLU A 333 2.839 -1.363 -9.310 1.00 0.00 H new ATOM 0 HB2 GLU A 333 5.166 -0.246 -9.979 1.00 0.00 H new ATOM 0 HB3 GLU A 333 5.814 -1.170 -8.638 1.00 0.00 H new ATOM 0 HG2 GLU A 333 4.650 -3.243 -9.698 1.00 0.00 H new ATOM 0 HG3 GLU A 333 4.405 -2.250 -11.122 1.00 0.00 H new ATOM 899 N GLN A 334 4.271 -1.553 -6.369 1.00 0.00 N ATOM 900 CA GLN A 334 4.278 -2.393 -5.138 1.00 0.00 C ATOM 901 C GLN A 334 2.873 -2.440 -4.538 1.00 0.00 C ATOM 902 O GLN A 334 2.288 -3.494 -4.385 1.00 0.00 O ATOM 903 CB GLN A 334 5.253 -1.699 -4.186 1.00 0.00 C ATOM 904 CG GLN A 334 6.688 -2.074 -4.562 1.00 0.00 C ATOM 905 CD GLN A 334 7.667 -1.337 -3.647 1.00 0.00 C ATOM 906 OE1 GLN A 334 7.415 -1.179 -2.469 1.00 0.00 O ATOM 907 NE2 GLN A 334 8.782 -0.875 -4.143 1.00 0.00 N ATOM 0 H GLN A 334 4.786 -0.675 -6.300 1.00 0.00 H new ATOM 0 HA GLN A 334 4.577 -3.423 -5.335 1.00 0.00 H new ATOM 0 HB2 GLN A 334 5.123 -0.618 -4.239 1.00 0.00 H new ATOM 0 HB3 GLN A 334 5.046 -1.995 -3.157 1.00 0.00 H new ATOM 0 HG2 GLN A 334 6.829 -3.151 -4.470 1.00 0.00 H new ATOM 0 HG3 GLN A 334 6.882 -1.815 -5.603 1.00 0.00 H new ATOM 0 HE21 GLN A 334 8.994 -1.008 -5.132 1.00 0.00 H new ATOM 0 HE22 GLN A 334 9.442 -0.381 -3.542 1.00 0.00 H new ATOM 916 N VAL A 335 2.318 -1.306 -4.206 1.00 0.00 N ATOM 917 CA VAL A 335 0.943 -1.301 -3.632 1.00 0.00 C ATOM 918 C VAL A 335 -0.001 -2.025 -4.594 1.00 0.00 C ATOM 919 O VAL A 335 -0.899 -2.728 -4.181 1.00 0.00 O ATOM 920 CB VAL A 335 0.583 0.182 -3.478 1.00 0.00 C ATOM 921 CG1 VAL A 335 -0.934 0.386 -3.550 1.00 0.00 C ATOM 922 CG2 VAL A 335 1.085 0.676 -2.121 1.00 0.00 C ATOM 0 H VAL A 335 2.754 -0.389 -4.307 1.00 0.00 H new ATOM 0 HA VAL A 335 0.868 -1.815 -2.674 1.00 0.00 H new ATOM 0 HB VAL A 335 1.050 0.741 -4.289 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -1.164 1.446 -3.438 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -1.303 0.034 -4.513 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -1.415 -0.176 -2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 335 0.834 1.730 -2.002 1.00 0.00 H new ATOM 0 HG22 VAL A 335 0.613 0.098 -1.326 1.00 0.00 H new ATOM 0 HG23 VAL A 335 2.167 0.552 -2.066 1.00 0.00 H new ATOM 932 N LYS A 336 0.206 -1.877 -5.874 1.00 0.00 N ATOM 933 CA LYS A 336 -0.673 -2.586 -6.846 1.00 0.00 C ATOM 934 C LYS A 336 -0.418 -4.085 -6.726 1.00 0.00 C ATOM 935 O LYS A 336 -1.322 -4.862 -6.491 1.00 0.00 O ATOM 936 CB LYS A 336 -0.255 -2.069 -8.222 1.00 0.00 C ATOM 937 CG LYS A 336 -1.366 -2.357 -9.233 1.00 0.00 C ATOM 938 CD LYS A 336 -2.651 -1.655 -8.794 1.00 0.00 C ATOM 939 CE LYS A 336 -3.059 -0.624 -9.848 1.00 0.00 C ATOM 940 NZ LYS A 336 -4.162 0.153 -9.216 1.00 0.00 N ATOM 0 H LYS A 336 0.940 -1.301 -6.286 1.00 0.00 H new ATOM 0 HA LYS A 336 -1.735 -2.412 -6.671 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -0.059 -0.998 -8.176 1.00 0.00 H new ATOM 0 HB3 LYS A 336 0.672 -2.549 -8.537 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -1.070 -2.010 -10.223 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -1.534 -3.431 -9.308 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -3.448 -2.386 -8.658 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -2.499 -1.166 -7.832 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -2.222 0.022 -10.114 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -3.392 -1.108 -10.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -4.497 0.882 -9.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -4.947 -0.487 -8.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -3.813 0.608 -8.348 1.00 0.00 H new ATOM 954 N HIS A 337 0.817 -4.500 -6.850 1.00 0.00 N ATOM 955 CA HIS A 337 1.118 -5.947 -6.700 1.00 0.00 C ATOM 956 C HIS A 337 0.648 -6.378 -5.314 1.00 0.00 C ATOM 957 O HIS A 337 0.159 -7.472 -5.117 1.00 0.00 O ATOM 958 CB HIS A 337 2.639 -6.061 -6.824 1.00 0.00 C ATOM 959 CG HIS A 337 3.049 -7.496 -6.647 1.00 0.00 C ATOM 960 ND1 HIS A 337 3.791 -8.177 -7.600 1.00 0.00 N ATOM 961 CD2 HIS A 337 2.827 -8.394 -5.633 1.00 0.00 C ATOM 962 CE1 HIS A 337 3.988 -9.427 -7.144 1.00 0.00 C ATOM 963 NE2 HIS A 337 3.421 -9.612 -5.948 1.00 0.00 N ATOM 0 H HIS A 337 1.620 -3.903 -7.047 1.00 0.00 H new ATOM 0 HA HIS A 337 0.625 -6.576 -7.441 1.00 0.00 H new ATOM 0 HB2 HIS A 337 2.964 -5.696 -7.799 1.00 0.00 H new ATOM 0 HB3 HIS A 337 3.124 -5.438 -6.073 1.00 0.00 H new ATOM 0 HD2 HIS A 337 2.275 -8.187 -4.728 1.00 0.00 H new ATOM 0 HE1 HIS A 337 4.537 -10.188 -7.679 1.00 0.00 H new ATOM 0 HE2 HIS A 337 3.423 -10.464 -5.387 1.00 0.00 H new ATOM 971 N PHE A 338 0.768 -5.496 -4.358 1.00 0.00 N ATOM 972 CA PHE A 338 0.304 -5.807 -2.980 1.00 0.00 C ATOM 973 C PHE A 338 -1.221 -5.884 -2.981 1.00 0.00 C ATOM 974 O PHE A 338 -1.818 -6.796 -2.444 1.00 0.00 O ATOM 975 CB PHE A 338 0.767 -4.622 -2.135 1.00 0.00 C ATOM 976 CG PHE A 338 0.080 -4.664 -0.793 1.00 0.00 C ATOM 977 CD1 PHE A 338 0.026 -5.860 -0.069 1.00 0.00 C ATOM 978 CD2 PHE A 338 -0.500 -3.504 -0.274 1.00 0.00 C ATOM 979 CE1 PHE A 338 -0.609 -5.894 1.177 1.00 0.00 C ATOM 980 CE2 PHE A 338 -1.136 -3.535 0.973 1.00 0.00 C ATOM 981 CZ PHE A 338 -1.191 -4.733 1.698 1.00 0.00 C ATOM 0 H PHE A 338 1.171 -4.567 -4.476 1.00 0.00 H new ATOM 0 HA PHE A 338 0.692 -6.753 -2.601 1.00 0.00 H new ATOM 0 HB2 PHE A 338 1.848 -4.656 -2.003 1.00 0.00 H new ATOM 0 HB3 PHE A 338 0.537 -3.686 -2.644 1.00 0.00 H new ATOM 0 HD1 PHE A 338 0.474 -6.756 -0.472 1.00 0.00 H new ATOM 0 HD2 PHE A 338 -0.458 -2.582 -0.835 1.00 0.00 H new ATOM 0 HE1 PHE A 338 -0.650 -6.817 1.737 1.00 0.00 H new ATOM 0 HE2 PHE A 338 -1.583 -2.638 1.375 1.00 0.00 H new ATOM 0 HZ PHE A 338 -1.683 -4.760 2.659 1.00 0.00 H new ATOM 991 N GLN A 339 -1.846 -4.921 -3.598 1.00 0.00 N ATOM 992 CA GLN A 339 -3.331 -4.896 -3.670 1.00 0.00 C ATOM 993 C GLN A 339 -3.847 -6.158 -4.363 1.00 0.00 C ATOM 994 O GLN A 339 -4.793 -6.779 -3.922 1.00 0.00 O ATOM 995 CB GLN A 339 -3.647 -3.658 -4.506 1.00 0.00 C ATOM 996 CG GLN A 339 -4.173 -2.545 -3.598 1.00 0.00 C ATOM 997 CD GLN A 339 -5.562 -2.920 -3.080 1.00 0.00 C ATOM 998 OE1 GLN A 339 -6.113 -3.933 -3.463 1.00 0.00 O ATOM 999 NE2 GLN A 339 -6.156 -2.141 -2.218 1.00 0.00 N ATOM 0 H GLN A 339 -1.383 -4.139 -4.062 1.00 0.00 H new ATOM 0 HA GLN A 339 -3.800 -4.864 -2.687 1.00 0.00 H new ATOM 0 HB2 GLN A 339 -2.752 -3.322 -5.029 1.00 0.00 H new ATOM 0 HB3 GLN A 339 -4.388 -3.901 -5.267 1.00 0.00 H new ATOM 0 HG2 GLN A 339 -3.491 -2.391 -2.762 1.00 0.00 H new ATOM 0 HG3 GLN A 339 -4.220 -1.605 -4.148 1.00 0.00 H new ATOM 0 HE21 GLN A 339 -5.694 -1.291 -1.896 1.00 0.00 H new ATOM 0 HE22 GLN A 339 -7.082 -2.383 -1.866 1.00 0.00 H new