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 Set 1.1: A 306 GLN : amide:sc= -0.427 K(o=-1.1,f=1.4) USER MOD Set 1.2: A 323 ASN : amide:sc= -0.651 K(o=-1.1,f=1.4) USER MOD Single : A 293 SER OG : rot 180:sc= -0.191 USER MOD Single : A 294 GLN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 307 TYR OH : rot 130:sc= 0 USER MOD Single : A 310 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 320 THR OG1 : rot 107:sc= 1.3 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= -4.26! C(o=-4.3!,f=-11!) USER MOD Single : A 336 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 337 HIS : no HE2:sc= -0.433 K(o=-0.43,f=-3.1!) USER MOD Single : A 339 GLN : amide:sc= -0.0199 X(o=-0.02,f=0) USER MOD ----------------------------------------------------------------- ATOM 133 N PRO A 287 10.968 2.077 -0.902 1.00 0.00 N ATOM 134 CA PRO A 287 10.316 0.859 -0.366 1.00 0.00 C ATOM 135 C PRO A 287 10.602 -0.349 -1.264 1.00 0.00 C ATOM 136 O PRO A 287 10.911 -0.209 -2.431 1.00 0.00 O ATOM 137 CB PRO A 287 8.831 1.209 -0.393 1.00 0.00 C ATOM 138 CG PRO A 287 8.697 2.254 -1.455 1.00 0.00 C ATOM 139 CD PRO A 287 10.008 2.993 -1.526 1.00 0.00 C ATOM 0 HA PRO A 287 10.673 0.588 0.628 1.00 0.00 H new ATOM 0 HB2 PRO A 287 8.224 0.333 -0.622 1.00 0.00 H new ATOM 0 HB3 PRO A 287 8.497 1.584 0.574 1.00 0.00 H new ATOM 0 HG2 PRO A 287 8.461 1.797 -2.416 1.00 0.00 H new ATOM 0 HG3 PRO A 287 7.882 2.939 -1.219 1.00 0.00 H new ATOM 0 HD2 PRO A 287 10.284 3.218 -2.556 1.00 0.00 H new ATOM 0 HD3 PRO A 287 9.960 3.943 -0.994 1.00 0.00 H new ATOM 147 N GLU A 288 10.494 -1.535 -0.730 1.00 0.00 N ATOM 148 CA GLU A 288 10.750 -2.754 -1.551 1.00 0.00 C ATOM 149 C GLU A 288 9.423 -3.434 -1.900 1.00 0.00 C ATOM 150 O GLU A 288 9.206 -3.861 -3.017 1.00 0.00 O ATOM 151 CB GLU A 288 11.601 -3.661 -0.661 1.00 0.00 C ATOM 152 CG GLU A 288 13.031 -3.710 -1.200 1.00 0.00 C ATOM 153 CD GLU A 288 13.150 -4.836 -2.228 1.00 0.00 C ATOM 154 OE1 GLU A 288 12.221 -5.621 -2.330 1.00 0.00 O ATOM 155 OE2 GLU A 288 14.168 -4.895 -2.898 1.00 0.00 O ATOM 0 H GLU A 288 10.239 -1.713 0.241 1.00 0.00 H new ATOM 0 HA GLU A 288 11.251 -2.525 -2.492 1.00 0.00 H new ATOM 0 HB2 GLU A 288 11.600 -3.288 0.363 1.00 0.00 H new ATOM 0 HB3 GLU A 288 11.176 -4.665 -0.635 1.00 0.00 H new ATOM 0 HG2 GLU A 288 13.291 -2.756 -1.658 1.00 0.00 H new ATOM 0 HG3 GLU A 288 13.734 -3.873 -0.383 1.00 0.00 H new ATOM 162 N ARG A 289 8.533 -3.528 -0.951 1.00 0.00 N ATOM 163 CA ARG A 289 7.214 -4.171 -1.217 1.00 0.00 C ATOM 164 C ARG A 289 6.318 -4.052 0.018 1.00 0.00 C ATOM 165 O ARG A 289 6.741 -3.587 1.059 1.00 0.00 O ATOM 166 CB ARG A 289 7.535 -5.637 -1.516 1.00 0.00 C ATOM 167 CG ARG A 289 8.091 -6.305 -0.257 1.00 0.00 C ATOM 168 CD ARG A 289 9.286 -7.185 -0.632 1.00 0.00 C ATOM 169 NE ARG A 289 8.689 -8.436 -1.176 1.00 0.00 N ATOM 170 CZ ARG A 289 8.630 -8.623 -2.467 1.00 0.00 C ATOM 171 NH1 ARG A 289 9.723 -8.847 -3.146 1.00 0.00 N ATOM 172 NH2 ARG A 289 7.478 -8.588 -3.080 1.00 0.00 N ATOM 0 H ARG A 289 8.662 -3.186 0.001 1.00 0.00 H new ATOM 0 HA ARG A 289 6.681 -3.701 -2.044 1.00 0.00 H new ATOM 0 HB2 ARG A 289 6.637 -6.156 -1.849 1.00 0.00 H new ATOM 0 HB3 ARG A 289 8.261 -5.703 -2.326 1.00 0.00 H new ATOM 0 HG2 ARG A 289 8.396 -5.548 0.465 1.00 0.00 H new ATOM 0 HG3 ARG A 289 7.318 -6.907 0.220 1.00 0.00 H new ATOM 0 HD2 ARG A 289 9.919 -6.696 -1.372 1.00 0.00 H new ATOM 0 HD3 ARG A 289 9.912 -7.392 0.236 1.00 0.00 H new ATOM 0 HE ARG A 289 8.326 -9.147 -0.540 1.00 0.00 H new ATOM 0 HH11 ARG A 289 10.624 -8.876 -2.668 1.00 0.00 H new ATOM 0 HH12 ARG A 289 9.676 -8.993 -4.154 1.00 0.00 H new ATOM 0 HH21 ARG A 289 6.624 -8.415 -2.551 1.00 0.00 H new ATOM 0 HH22 ARG A 289 7.432 -8.734 -4.088 1.00 0.00 H new ATOM 186 N ILE A 290 5.085 -4.467 -0.085 1.00 0.00 N ATOM 187 CA ILE A 290 4.169 -4.372 1.089 1.00 0.00 C ATOM 188 C ILE A 290 4.094 -5.714 1.819 1.00 0.00 C ATOM 189 O ILE A 290 4.238 -6.764 1.226 1.00 0.00 O ATOM 190 CB ILE A 290 2.796 -4.026 0.514 1.00 0.00 C ATOM 191 CG1 ILE A 290 2.934 -2.984 -0.597 1.00 0.00 C ATOM 192 CG2 ILE A 290 1.912 -3.462 1.625 1.00 0.00 C ATOM 193 CD1 ILE A 290 3.492 -1.688 -0.016 1.00 0.00 C ATOM 0 H ILE A 290 4.673 -4.867 -0.928 1.00 0.00 H new ATOM 0 HA ILE A 290 4.517 -3.627 1.804 1.00 0.00 H new ATOM 0 HB ILE A 290 2.347 -4.929 0.101 1.00 0.00 H new ATOM 0 HG12 ILE A 290 3.594 -3.357 -1.380 1.00 0.00 H new ATOM 0 HG13 ILE A 290 1.964 -2.799 -1.059 1.00 0.00 H new ATOM 0 HG21 ILE A 290 0.931 -3.214 1.219 1.00 0.00 H new ATOM 0 HG22 ILE A 290 1.800 -4.206 2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 290 2.373 -2.564 2.036 1.00 0.00 H new ATOM 0 HD11 ILE A 290 3.590 -0.946 -0.809 1.00 0.00 H new ATOM 0 HD12 ILE A 290 2.815 -1.312 0.751 1.00 0.00 H new ATOM 0 HD13 ILE A 290 4.470 -1.879 0.425 1.00 0.00 H new ATOM 205 N ILE A 291 3.847 -5.685 3.098 1.00 0.00 N ATOM 206 CA ILE A 291 3.734 -6.959 3.867 1.00 0.00 C ATOM 207 C ILE A 291 2.323 -7.090 4.426 1.00 0.00 C ATOM 208 O ILE A 291 1.763 -8.166 4.490 1.00 0.00 O ATOM 209 CB ILE A 291 4.747 -6.876 5.016 1.00 0.00 C ATOM 210 CG1 ILE A 291 4.983 -5.412 5.434 1.00 0.00 C ATOM 211 CG2 ILE A 291 6.060 -7.512 4.571 1.00 0.00 C ATOM 212 CD1 ILE A 291 6.021 -4.755 4.517 1.00 0.00 C ATOM 0 H ILE A 291 3.718 -4.835 3.646 1.00 0.00 H new ATOM 0 HA ILE A 291 3.934 -7.824 3.235 1.00 0.00 H new ATOM 0 HB ILE A 291 4.351 -7.413 5.878 1.00 0.00 H new ATOM 0 HG12 ILE A 291 4.045 -4.858 5.388 1.00 0.00 H new ATOM 0 HG13 ILE A 291 5.325 -5.373 6.468 1.00 0.00 H new ATOM 0 HG21 ILE A 291 6.785 -7.456 5.383 1.00 0.00 H new ATOM 0 HG22 ILE A 291 5.888 -8.556 4.309 1.00 0.00 H new ATOM 0 HG23 ILE A 291 6.447 -6.979 3.703 1.00 0.00 H new ATOM 0 HD11 ILE A 291 6.176 -3.721 4.825 1.00 0.00 H new ATOM 0 HD12 ILE A 291 6.963 -5.299 4.585 1.00 0.00 H new ATOM 0 HD13 ILE A 291 5.663 -4.777 3.488 1.00 0.00 H new ATOM 224 N ASP A 292 1.746 -5.997 4.828 1.00 0.00 N ATOM 225 CA ASP A 292 0.369 -6.047 5.381 1.00 0.00 C ATOM 226 C ASP A 292 -0.309 -4.682 5.230 1.00 0.00 C ATOM 227 O ASP A 292 0.320 -3.700 4.890 1.00 0.00 O ATOM 228 CB ASP A 292 0.549 -6.400 6.857 1.00 0.00 C ATOM 229 CG ASP A 292 -0.804 -6.784 7.460 1.00 0.00 C ATOM 230 OD1 ASP A 292 -1.744 -6.945 6.700 1.00 0.00 O ATOM 231 OD2 ASP A 292 -0.876 -6.911 8.671 1.00 0.00 O ATOM 0 H ASP A 292 2.169 -5.069 4.798 1.00 0.00 H new ATOM 0 HA ASP A 292 -0.260 -6.772 4.864 1.00 0.00 H new ATOM 0 HB2 ASP A 292 1.253 -7.226 6.961 1.00 0.00 H new ATOM 0 HB3 ASP A 292 0.971 -5.552 7.396 1.00 0.00 H new ATOM 236 N SER A 293 -1.588 -4.611 5.484 1.00 0.00 N ATOM 237 CA SER A 293 -2.300 -3.306 5.356 1.00 0.00 C ATOM 238 C SER A 293 -3.094 -3.015 6.632 1.00 0.00 C ATOM 239 O SER A 293 -3.383 -3.902 7.410 1.00 0.00 O ATOM 240 CB SER A 293 -3.245 -3.481 4.168 1.00 0.00 C ATOM 241 OG SER A 293 -3.533 -4.862 3.996 1.00 0.00 O ATOM 0 H SER A 293 -2.169 -5.397 5.774 1.00 0.00 H new ATOM 0 HA SER A 293 -1.612 -2.473 5.208 1.00 0.00 H new ATOM 0 HB2 SER A 293 -4.167 -2.924 4.337 1.00 0.00 H new ATOM 0 HB3 SER A 293 -2.789 -3.077 3.264 1.00 0.00 H new ATOM 0 HG SER A 293 -4.140 -4.977 3.236 1.00 0.00 H new ATOM 247 N GLN A 294 -3.448 -1.780 6.855 1.00 0.00 N ATOM 248 CA GLN A 294 -4.220 -1.438 8.081 1.00 0.00 C ATOM 249 C GLN A 294 -5.169 -0.270 7.804 1.00 0.00 C ATOM 250 O GLN A 294 -4.823 0.880 7.985 1.00 0.00 O ATOM 251 CB GLN A 294 -3.166 -1.040 9.113 1.00 0.00 C ATOM 252 CG GLN A 294 -3.761 -1.148 10.518 1.00 0.00 C ATOM 253 CD GLN A 294 -3.343 -2.477 11.148 1.00 0.00 C ATOM 254 OE1 GLN A 294 -2.989 -2.528 12.309 1.00 0.00 O ATOM 255 NE2 GLN A 294 -3.371 -3.565 10.427 1.00 0.00 N ATOM 0 H GLN A 294 -3.236 -0.993 6.241 1.00 0.00 H new ATOM 0 HA GLN A 294 -4.836 -2.269 8.425 1.00 0.00 H new ATOM 0 HB2 GLN A 294 -2.293 -1.687 9.025 1.00 0.00 H new ATOM 0 HB3 GLN A 294 -2.827 -0.021 8.928 1.00 0.00 H new ATOM 0 HG2 GLN A 294 -3.418 -0.317 11.135 1.00 0.00 H new ATOM 0 HG3 GLN A 294 -4.848 -1.082 10.470 1.00 0.00 H new ATOM 0 HE21 GLN A 294 -3.668 -3.523 9.452 1.00 0.00 H new ATOM 0 HE22 GLN A 294 -3.096 -4.457 10.839 1.00 0.00 H new ATOM 404 N LEU A 305 -6.087 4.951 5.738 1.00 0.00 N ATOM 405 CA LEU A 305 -5.546 3.676 5.189 1.00 0.00 C ATOM 406 C LEU A 305 -4.017 3.667 5.289 1.00 0.00 C ATOM 407 O LEU A 305 -3.355 4.613 4.911 1.00 0.00 O ATOM 408 CB LEU A 305 -5.993 3.664 3.727 1.00 0.00 C ATOM 409 CG LEU A 305 -5.378 2.463 3.011 1.00 0.00 C ATOM 410 CD1 LEU A 305 -5.588 1.203 3.851 1.00 0.00 C ATOM 411 CD2 LEU A 305 -6.051 2.282 1.648 1.00 0.00 C ATOM 0 HA LEU A 305 -5.902 2.801 5.732 1.00 0.00 H new ATOM 0 HB2 LEU A 305 -7.080 3.616 3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 305 -5.688 4.588 3.236 1.00 0.00 H new ATOM 0 HG LEU A 305 -4.310 2.633 2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 305 -5.149 0.347 3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 305 -5.110 1.329 4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 305 -6.655 1.033 3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 305 -5.612 1.425 1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 305 -7.119 2.113 1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 305 -5.902 3.179 1.047 1.00 0.00 H new ATOM 423 N GLN A 306 -3.450 2.606 5.799 1.00 0.00 N ATOM 424 CA GLN A 306 -1.966 2.542 5.927 1.00 0.00 C ATOM 425 C GLN A 306 -1.442 1.190 5.430 1.00 0.00 C ATOM 426 O GLN A 306 -2.017 0.152 5.695 1.00 0.00 O ATOM 427 CB GLN A 306 -1.695 2.705 7.423 1.00 0.00 C ATOM 428 CG GLN A 306 -2.178 4.082 7.881 1.00 0.00 C ATOM 429 CD GLN A 306 -1.134 4.707 8.808 1.00 0.00 C ATOM 430 OE1 GLN A 306 -0.721 5.832 8.606 1.00 0.00 O ATOM 431 NE2 GLN A 306 -0.687 4.021 9.822 1.00 0.00 N ATOM 0 H GLN A 306 -3.950 1.782 6.132 1.00 0.00 H new ATOM 0 HA GLN A 306 -1.468 3.308 5.333 1.00 0.00 H new ATOM 0 HB2 GLN A 306 -2.207 1.923 7.984 1.00 0.00 H new ATOM 0 HB3 GLN A 306 -0.629 2.596 7.625 1.00 0.00 H new ATOM 0 HG2 GLN A 306 -2.345 4.726 7.018 1.00 0.00 H new ATOM 0 HG3 GLN A 306 -3.132 3.990 8.400 1.00 0.00 H new ATOM 0 HE21 GLN A 306 -1.034 3.077 9.992 1.00 0.00 H new ATOM 0 HE22 GLN A 306 0.009 4.428 10.446 1.00 0.00 H new ATOM 440 N TYR A 307 -0.352 1.195 4.709 1.00 0.00 N ATOM 441 CA TYR A 307 0.215 -0.085 4.192 1.00 0.00 C ATOM 442 C TYR A 307 1.570 -0.367 4.844 1.00 0.00 C ATOM 443 O TYR A 307 2.456 0.462 4.835 1.00 0.00 O ATOM 444 CB TYR A 307 0.413 0.144 2.694 1.00 0.00 C ATOM 445 CG TYR A 307 -0.811 -0.289 1.923 1.00 0.00 C ATOM 446 CD1 TYR A 307 -2.030 -0.501 2.581 1.00 0.00 C ATOM 447 CD2 TYR A 307 -0.721 -0.481 0.539 1.00 0.00 C ATOM 448 CE1 TYR A 307 -3.155 -0.905 1.852 1.00 0.00 C ATOM 449 CE2 TYR A 307 -1.845 -0.885 -0.188 1.00 0.00 C ATOM 450 CZ TYR A 307 -3.062 -1.097 0.468 1.00 0.00 C ATOM 451 OH TYR A 307 -4.171 -1.496 -0.249 1.00 0.00 O ATOM 0 H TYR A 307 0.171 2.033 4.455 1.00 0.00 H new ATOM 0 HA TYR A 307 -0.438 -0.931 4.405 1.00 0.00 H new ATOM 0 HB2 TYR A 307 0.614 1.199 2.505 1.00 0.00 H new ATOM 0 HB3 TYR A 307 1.283 -0.413 2.348 1.00 0.00 H new ATOM 0 HD1 TYR A 307 -2.102 -0.353 3.648 1.00 0.00 H new ATOM 0 HD2 TYR A 307 0.218 -0.317 0.032 1.00 0.00 H new ATOM 0 HE1 TYR A 307 -4.095 -1.069 2.357 1.00 0.00 H new ATOM 0 HE2 TYR A 307 -1.774 -1.033 -1.255 1.00 0.00 H new ATOM 0 HH TYR A 307 -4.289 -0.908 -1.024 1.00 0.00 H new ATOM 461 N LEU A 308 1.749 -1.537 5.389 1.00 0.00 N ATOM 462 CA LEU A 308 3.062 -1.865 6.013 1.00 0.00 C ATOM 463 C LEU A 308 4.096 -2.092 4.907 1.00 0.00 C ATOM 464 O LEU A 308 3.937 -2.958 4.069 1.00 0.00 O ATOM 465 CB LEU A 308 2.818 -3.149 6.805 1.00 0.00 C ATOM 466 CG LEU A 308 4.060 -3.486 7.631 1.00 0.00 C ATOM 467 CD1 LEU A 308 4.232 -2.446 8.738 1.00 0.00 C ATOM 468 CD2 LEU A 308 3.896 -4.872 8.259 1.00 0.00 C ATOM 0 H LEU A 308 1.048 -2.277 5.430 1.00 0.00 H new ATOM 0 HA LEU A 308 3.440 -1.071 6.657 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.956 -3.026 7.460 1.00 0.00 H new ATOM 0 HB3 LEU A 308 2.587 -3.969 6.125 1.00 0.00 H new ATOM 0 HG LEU A 308 4.938 -3.481 6.985 1.00 0.00 H new ATOM 0 HD11 LEU A 308 5.117 -2.685 9.328 1.00 0.00 H new ATOM 0 HD12 LEU A 308 4.348 -1.457 8.294 1.00 0.00 H new ATOM 0 HD13 LEU A 308 3.354 -2.453 9.383 1.00 0.00 H new ATOM 0 HD21 LEU A 308 4.781 -5.112 8.848 1.00 0.00 H new ATOM 0 HD22 LEU A 308 3.018 -4.877 8.905 1.00 0.00 H new ATOM 0 HD23 LEU A 308 3.771 -5.616 7.472 1.00 0.00 H new ATOM 480 N VAL A 309 5.143 -1.312 4.880 1.00 0.00 N ATOM 481 CA VAL A 309 6.167 -1.482 3.807 1.00 0.00 C ATOM 482 C VAL A 309 7.530 -1.848 4.398 1.00 0.00 C ATOM 483 O VAL A 309 7.824 -1.559 5.541 1.00 0.00 O ATOM 484 CB VAL A 309 6.244 -0.121 3.117 1.00 0.00 C ATOM 485 CG1 VAL A 309 7.147 -0.225 1.887 1.00 0.00 C ATOM 486 CG2 VAL A 309 4.844 0.319 2.687 1.00 0.00 C ATOM 0 H VAL A 309 5.334 -0.568 5.551 1.00 0.00 H new ATOM 0 HA VAL A 309 5.899 -2.286 3.121 1.00 0.00 H new ATOM 0 HB VAL A 309 6.655 0.613 3.810 1.00 0.00 H new ATOM 0 HG11 VAL A 309 7.203 0.745 1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 309 8.146 -0.534 2.194 1.00 0.00 H new ATOM 0 HG13 VAL A 309 6.736 -0.961 1.195 1.00 0.00 H new ATOM 0 HG21 VAL A 309 4.903 1.290 2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 309 4.429 -0.414 1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 309 4.201 0.395 3.564 1.00 0.00 H new ATOM 496 N LYS A 310 8.369 -2.472 3.615 1.00 0.00 N ATOM 497 CA LYS A 310 9.723 -2.849 4.112 1.00 0.00 C ATOM 498 C LYS A 310 10.791 -2.060 3.349 1.00 0.00 C ATOM 499 O LYS A 310 11.036 -2.294 2.182 1.00 0.00 O ATOM 500 CB LYS A 310 9.850 -4.345 3.824 1.00 0.00 C ATOM 501 CG LYS A 310 11.138 -4.878 4.455 1.00 0.00 C ATOM 502 CD LYS A 310 10.887 -6.276 5.024 1.00 0.00 C ATOM 503 CE LYS A 310 10.469 -7.219 3.893 1.00 0.00 C ATOM 504 NZ LYS A 310 10.461 -8.576 4.507 1.00 0.00 N ATOM 0 H LYS A 310 8.174 -2.737 2.650 1.00 0.00 H new ATOM 0 HA LYS A 310 9.856 -2.630 5.172 1.00 0.00 H new ATOM 0 HB2 LYS A 310 8.988 -4.878 4.225 1.00 0.00 H new ATOM 0 HB3 LYS A 310 9.860 -4.520 2.748 1.00 0.00 H new ATOM 0 HG2 LYS A 310 11.933 -4.914 3.710 1.00 0.00 H new ATOM 0 HG3 LYS A 310 11.473 -4.207 5.246 1.00 0.00 H new ATOM 0 HD2 LYS A 310 11.788 -6.650 5.509 1.00 0.00 H new ATOM 0 HD3 LYS A 310 10.108 -6.236 5.785 1.00 0.00 H new ATOM 0 HE2 LYS A 310 9.486 -6.956 3.503 1.00 0.00 H new ATOM 0 HE3 LYS A 310 11.167 -7.168 3.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 310 10.183 -9.279 3.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 310 11.412 -8.801 4.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 310 9.782 -8.597 5.295 1.00 0.00 H new ATOM 681 N THR A 320 7.998 -0.873 8.612 1.00 0.00 N ATOM 682 CA THR A 320 7.092 -0.046 9.461 1.00 0.00 C ATOM 683 C THR A 320 5.759 0.186 8.746 1.00 0.00 C ATOM 684 O THR A 320 5.465 -0.432 7.743 1.00 0.00 O ATOM 685 CB THR A 320 7.827 1.280 9.658 1.00 0.00 C ATOM 686 OG1 THR A 320 8.394 1.693 8.422 1.00 0.00 O ATOM 687 CG2 THR A 320 8.934 1.102 10.697 1.00 0.00 C ATOM 0 HA THR A 320 6.865 -0.532 10.410 1.00 0.00 H new ATOM 0 HB THR A 320 7.125 2.038 10.006 1.00 0.00 H new ATOM 0 HG1 THR A 320 7.878 2.443 8.060 1.00 0.00 H new ATOM 0 HG21 THR A 320 9.457 2.048 10.837 1.00 0.00 H new ATOM 0 HG22 THR A 320 8.497 0.786 11.644 1.00 0.00 H new ATOM 0 HG23 THR A 320 9.638 0.345 10.352 1.00 0.00 H new ATOM 695 N TRP A 321 4.947 1.070 9.260 1.00 0.00 N ATOM 696 CA TRP A 321 3.630 1.334 8.614 1.00 0.00 C ATOM 697 C TRP A 321 3.606 2.718 7.963 1.00 0.00 C ATOM 698 O TRP A 321 4.116 3.681 8.500 1.00 0.00 O ATOM 699 CB TRP A 321 2.613 1.269 9.750 1.00 0.00 C ATOM 700 CG TRP A 321 2.170 -0.143 9.936 1.00 0.00 C ATOM 701 CD1 TRP A 321 2.561 -0.950 10.947 1.00 0.00 C ATOM 702 CD2 TRP A 321 1.264 -0.927 9.109 1.00 0.00 C ATOM 703 NE1 TRP A 321 1.948 -2.182 10.797 1.00 0.00 N ATOM 704 CE2 TRP A 321 1.138 -2.217 9.677 1.00 0.00 C ATOM 705 CE3 TRP A 321 0.543 -0.648 7.933 1.00 0.00 C ATOM 706 CZ2 TRP A 321 0.327 -3.195 9.099 1.00 0.00 C ATOM 707 CZ3 TRP A 321 -0.272 -1.630 7.349 1.00 0.00 C ATOM 708 CH2 TRP A 321 -0.381 -2.900 7.931 1.00 0.00 C ATOM 0 H TRP A 321 5.138 1.620 10.098 1.00 0.00 H new ATOM 0 HA TRP A 321 3.418 0.614 7.823 1.00 0.00 H new ATOM 0 HB2 TRP A 321 3.055 1.648 10.671 1.00 0.00 H new ATOM 0 HB3 TRP A 321 1.757 1.904 9.523 1.00 0.00 H new ATOM 0 HD1 TRP A 321 3.240 -0.678 11.742 1.00 0.00 H new ATOM 0 HE1 TRP A 321 2.078 -2.968 11.434 1.00 0.00 H new ATOM 0 HE3 TRP A 321 0.617 0.328 7.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 321 0.247 -4.173 9.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 321 -0.819 -1.405 6.445 1.00 0.00 H new ATOM 0 HH2 TRP A 321 -1.012 -3.650 7.477 1.00 0.00 H new ATOM 719 N GLU A 322 3.001 2.820 6.812 1.00 0.00 N ATOM 720 CA GLU A 322 2.917 4.134 6.115 1.00 0.00 C ATOM 721 C GLU A 322 1.562 4.250 5.414 1.00 0.00 C ATOM 722 O GLU A 322 0.865 3.273 5.241 1.00 0.00 O ATOM 723 CB GLU A 322 4.054 4.116 5.092 1.00 0.00 C ATOM 724 CG GLU A 322 5.356 4.540 5.770 1.00 0.00 C ATOM 725 CD GLU A 322 5.964 3.342 6.503 1.00 0.00 C ATOM 726 OE1 GLU A 322 5.536 2.231 6.234 1.00 0.00 O ATOM 727 OE2 GLU A 322 6.844 3.555 7.318 1.00 0.00 O ATOM 0 H GLU A 322 2.558 2.043 6.321 1.00 0.00 H new ATOM 0 HA GLU A 322 3.006 4.980 6.797 1.00 0.00 H new ATOM 0 HB2 GLU A 322 4.161 3.117 4.668 1.00 0.00 H new ATOM 0 HB3 GLU A 322 3.825 4.790 4.266 1.00 0.00 H new ATOM 0 HG2 GLU A 322 6.058 4.920 5.028 1.00 0.00 H new ATOM 0 HG3 GLU A 322 5.165 5.351 6.473 1.00 0.00 H new ATOM 734 N ASN A 323 1.179 5.427 5.004 1.00 0.00 N ATOM 735 CA ASN A 323 -0.129 5.571 4.313 1.00 0.00 C ATOM 736 C ASN A 323 -0.117 4.761 3.020 1.00 0.00 C ATOM 737 O ASN A 323 0.795 4.866 2.223 1.00 0.00 O ATOM 738 CB ASN A 323 -0.256 7.065 4.012 1.00 0.00 C ATOM 739 CG ASN A 323 0.042 7.869 5.279 1.00 0.00 C ATOM 740 OD1 ASN A 323 0.739 8.862 5.232 1.00 0.00 O ATOM 741 ND2 ASN A 323 -0.464 7.478 6.417 1.00 0.00 N ATOM 0 H ASN A 323 1.712 6.289 5.117 1.00 0.00 H new ATOM 0 HA ASN A 323 -0.963 5.209 4.914 1.00 0.00 H new ATOM 0 HB2 ASN A 323 0.436 7.347 3.219 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -1.260 7.290 3.654 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -0.274 8.007 7.268 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -1.049 6.644 6.455 1.00 0.00 H new ATOM 748 N ALA A 324 -1.120 3.964 2.792 1.00 0.00 N ATOM 749 CA ALA A 324 -1.150 3.169 1.536 1.00 0.00 C ATOM 750 C ALA A 324 -1.268 4.130 0.359 1.00 0.00 C ATOM 751 O ALA A 324 -1.007 3.785 -0.774 1.00 0.00 O ATOM 752 CB ALA A 324 -2.391 2.283 1.641 1.00 0.00 C ATOM 0 H ALA A 324 -1.915 3.829 3.416 1.00 0.00 H new ATOM 0 HA ALA A 324 -0.254 2.565 1.390 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -2.476 1.668 0.745 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -2.306 1.639 2.517 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -3.278 2.909 1.736 1.00 0.00 H new ATOM 758 N THR A 325 -1.647 5.346 0.635 1.00 0.00 N ATOM 759 CA THR A 325 -1.775 6.353 -0.449 1.00 0.00 C ATOM 760 C THR A 325 -0.381 6.842 -0.839 1.00 0.00 C ATOM 761 O THR A 325 -0.053 6.965 -2.002 1.00 0.00 O ATOM 762 CB THR A 325 -2.615 7.472 0.170 1.00 0.00 C ATOM 763 OG1 THR A 325 -3.992 7.206 -0.057 1.00 0.00 O ATOM 764 CG2 THR A 325 -2.251 8.821 -0.448 1.00 0.00 C ATOM 0 H THR A 325 -1.874 5.685 1.570 1.00 0.00 H new ATOM 0 HA THR A 325 -2.239 5.968 -1.357 1.00 0.00 H new ATOM 0 HB THR A 325 -2.414 7.511 1.241 1.00 0.00 H new ATOM 0 HG1 THR A 325 -4.533 7.920 0.340 1.00 0.00 H new ATOM 0 HG21 THR A 325 -2.859 9.604 0.005 1.00 0.00 H new ATOM 0 HG22 THR A 325 -1.196 9.031 -0.269 1.00 0.00 H new ATOM 0 HG23 THR A 325 -2.438 8.792 -1.521 1.00 0.00 H new ATOM 772 N ASP A 326 0.448 7.103 0.130 1.00 0.00 N ATOM 773 CA ASP A 326 1.828 7.559 -0.182 1.00 0.00 C ATOM 774 C ASP A 326 2.579 6.416 -0.857 1.00 0.00 C ATOM 775 O ASP A 326 3.138 6.570 -1.924 1.00 0.00 O ATOM 776 CB ASP A 326 2.459 7.894 1.169 1.00 0.00 C ATOM 777 CG ASP A 326 2.266 9.382 1.469 1.00 0.00 C ATOM 778 OD1 ASP A 326 1.426 9.991 0.828 1.00 0.00 O ATOM 779 OD2 ASP A 326 2.961 9.887 2.335 1.00 0.00 O ATOM 0 H ASP A 326 0.230 7.020 1.123 1.00 0.00 H new ATOM 0 HA ASP A 326 1.852 8.419 -0.851 1.00 0.00 H new ATOM 0 HB2 ASP A 326 2.003 7.292 1.955 1.00 0.00 H new ATOM 0 HB3 ASP A 326 3.521 7.650 1.157 1.00 0.00 H new ATOM 784 N ILE A 327 2.580 5.260 -0.249 1.00 0.00 N ATOM 785 CA ILE A 327 3.279 4.101 -0.867 1.00 0.00 C ATOM 786 C ILE A 327 2.687 3.829 -2.250 1.00 0.00 C ATOM 787 O ILE A 327 3.351 3.322 -3.128 1.00 0.00 O ATOM 788 CB ILE A 327 3.032 2.927 0.079 1.00 0.00 C ATOM 789 CG1 ILE A 327 3.802 3.161 1.380 1.00 0.00 C ATOM 790 CG2 ILE A 327 3.525 1.633 -0.573 1.00 0.00 C ATOM 791 CD1 ILE A 327 5.263 3.476 1.052 1.00 0.00 C ATOM 0 H ILE A 327 2.128 5.070 0.646 1.00 0.00 H new ATOM 0 HA ILE A 327 4.346 4.276 -1.003 1.00 0.00 H new ATOM 0 HB ILE A 327 1.966 2.845 0.289 1.00 0.00 H new ATOM 0 HG12 ILE A 327 3.356 3.985 1.937 1.00 0.00 H new ATOM 0 HG13 ILE A 327 3.742 2.278 2.016 1.00 0.00 H new ATOM 0 HG21 ILE A 327 3.349 0.795 0.102 1.00 0.00 H new ATOM 0 HG22 ILE A 327 2.986 1.467 -1.506 1.00 0.00 H new ATOM 0 HG23 ILE A 327 4.592 1.714 -0.780 1.00 0.00 H new ATOM 0 HD11 ILE A 327 5.816 3.644 1.977 1.00 0.00 H new ATOM 0 HD12 ILE A 327 5.704 2.638 0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 327 5.312 4.372 0.433 1.00 0.00 H new ATOM 803 N VAL A 328 1.449 4.186 -2.467 1.00 0.00 N ATOM 804 CA VAL A 328 0.860 3.970 -3.817 1.00 0.00 C ATOM 805 C VAL A 328 1.642 4.835 -4.804 1.00 0.00 C ATOM 806 O VAL A 328 2.145 4.366 -5.803 1.00 0.00 O ATOM 807 CB VAL A 328 -0.601 4.427 -3.704 1.00 0.00 C ATOM 808 CG1 VAL A 328 -1.110 4.912 -5.065 1.00 0.00 C ATOM 809 CG2 VAL A 328 -1.461 3.254 -3.238 1.00 0.00 C ATOM 0 H VAL A 328 0.829 4.612 -1.778 1.00 0.00 H new ATOM 0 HA VAL A 328 0.905 2.936 -4.160 1.00 0.00 H new ATOM 0 HB VAL A 328 -0.663 5.245 -2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -2.147 5.233 -4.972 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -0.500 5.749 -5.404 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -1.046 4.099 -5.788 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -2.500 3.574 -3.156 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -1.388 2.440 -3.959 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -1.110 2.909 -2.265 1.00 0.00 H new ATOM 819 N LYS A 329 1.771 6.097 -4.500 1.00 0.00 N ATOM 820 CA LYS A 329 2.548 7.010 -5.386 1.00 0.00 C ATOM 821 C LYS A 329 4.041 6.723 -5.212 1.00 0.00 C ATOM 822 O LYS A 329 4.773 6.571 -6.169 1.00 0.00 O ATOM 823 CB LYS A 329 2.213 8.420 -4.898 1.00 0.00 C ATOM 824 CG LYS A 329 0.854 8.849 -5.451 1.00 0.00 C ATOM 825 CD LYS A 329 0.550 10.279 -5.002 1.00 0.00 C ATOM 826 CE LYS A 329 1.760 11.173 -5.289 1.00 0.00 C ATOM 827 NZ LYS A 329 1.298 12.556 -4.990 1.00 0.00 N ATOM 0 H LYS A 329 1.370 6.537 -3.672 1.00 0.00 H new ATOM 0 HA LYS A 329 2.306 6.885 -6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 329 2.197 8.443 -3.808 1.00 0.00 H new ATOM 0 HB3 LYS A 329 2.984 9.119 -5.220 1.00 0.00 H new ATOM 0 HG2 LYS A 329 0.857 8.791 -6.539 1.00 0.00 H new ATOM 0 HG3 LYS A 329 0.076 8.172 -5.098 1.00 0.00 H new ATOM 0 HD2 LYS A 329 -0.328 10.657 -5.526 1.00 0.00 H new ATOM 0 HD3 LYS A 329 0.317 10.295 -3.937 1.00 0.00 H new ATOM 0 HE2 LYS A 329 2.611 10.898 -4.665 1.00 0.00 H new ATOM 0 HE3 LYS A 329 2.082 11.080 -6.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 329 2.074 13.226 -5.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 329 0.492 12.793 -5.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 329 1.005 12.616 -3.994 1.00 0.00 H new ATOM 841 N LEU A 330 4.489 6.630 -3.988 1.00 0.00 N ATOM 842 CA LEU A 330 5.925 6.330 -3.735 1.00 0.00 C ATOM 843 C LEU A 330 6.270 4.987 -4.373 1.00 0.00 C ATOM 844 O LEU A 330 7.234 4.852 -5.099 1.00 0.00 O ATOM 845 CB LEU A 330 6.038 6.237 -2.213 1.00 0.00 C ATOM 846 CG LEU A 330 7.366 6.839 -1.753 1.00 0.00 C ATOM 847 CD1 LEU A 330 7.248 8.362 -1.705 1.00 0.00 C ATOM 848 CD2 LEU A 330 7.705 6.312 -0.357 1.00 0.00 C ATOM 0 H LEU A 330 3.919 6.750 -3.151 1.00 0.00 H new ATOM 0 HA LEU A 330 6.599 7.080 -4.148 1.00 0.00 H new ATOM 0 HB2 LEU A 330 5.207 6.765 -1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 330 5.972 5.196 -1.897 1.00 0.00 H new ATOM 0 HG LEU A 330 8.154 6.558 -2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 330 8.195 8.790 -1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 330 7.004 8.739 -2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 330 6.461 8.644 -1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 330 8.652 6.740 -0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 330 6.916 6.595 0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 330 7.789 5.226 -0.389 1.00 0.00 H new ATOM 860 N ALA A 331 5.469 3.997 -4.102 1.00 0.00 N ATOM 861 CA ALA A 331 5.703 2.648 -4.680 1.00 0.00 C ATOM 862 C ALA A 331 4.378 2.071 -5.185 1.00 0.00 C ATOM 863 O ALA A 331 3.793 1.214 -4.552 1.00 0.00 O ATOM 864 CB ALA A 331 6.248 1.809 -3.524 1.00 0.00 C ATOM 0 H ALA A 331 4.651 4.067 -3.496 1.00 0.00 H new ATOM 0 HA ALA A 331 6.393 2.667 -5.524 1.00 0.00 H new ATOM 0 HB1 ALA A 331 6.447 0.795 -3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 331 7.172 2.254 -3.156 1.00 0.00 H new ATOM 0 HB3 ALA A 331 5.514 1.779 -2.719 1.00 0.00 H new ATOM 870 N PRO A 332 3.943 2.568 -6.312 1.00 0.00 N ATOM 871 CA PRO A 332 2.663 2.104 -6.909 1.00 0.00 C ATOM 872 C PRO A 332 2.801 0.657 -7.388 1.00 0.00 C ATOM 873 O PRO A 332 1.926 -0.160 -7.183 1.00 0.00 O ATOM 874 CB PRO A 332 2.451 3.056 -8.085 1.00 0.00 C ATOM 875 CG PRO A 332 3.819 3.550 -8.427 1.00 0.00 C ATOM 876 CD PRO A 332 4.591 3.594 -7.135 1.00 0.00 C ATOM 0 HA PRO A 332 1.828 2.115 -6.209 1.00 0.00 H new ATOM 0 HB2 PRO A 332 1.992 2.544 -8.931 1.00 0.00 H new ATOM 0 HB3 PRO A 332 1.790 3.879 -7.814 1.00 0.00 H new ATOM 0 HG2 PRO A 332 4.302 2.888 -9.146 1.00 0.00 H new ATOM 0 HG3 PRO A 332 3.772 4.538 -8.885 1.00 0.00 H new ATOM 0 HD2 PRO A 332 5.647 3.375 -7.291 1.00 0.00 H new ATOM 0 HD3 PRO A 332 4.535 4.577 -6.668 1.00 0.00 H new ATOM 884 N GLU A 333 3.896 0.334 -8.019 1.00 0.00 N ATOM 885 CA GLU A 333 4.091 -1.062 -8.501 1.00 0.00 C ATOM 886 C GLU A 333 4.021 -2.030 -7.318 1.00 0.00 C ATOM 887 O GLU A 333 3.603 -3.163 -7.452 1.00 0.00 O ATOM 888 CB GLU A 333 5.484 -1.075 -9.129 1.00 0.00 C ATOM 889 CG GLU A 333 5.741 -2.439 -9.776 1.00 0.00 C ATOM 890 CD GLU A 333 7.246 -2.703 -9.826 1.00 0.00 C ATOM 891 OE1 GLU A 333 7.997 -1.742 -9.816 1.00 0.00 O ATOM 892 OE2 GLU A 333 7.622 -3.863 -9.874 1.00 0.00 O ATOM 0 H GLU A 333 4.663 0.975 -8.221 1.00 0.00 H new ATOM 0 HA GLU A 333 3.326 -1.370 -9.214 1.00 0.00 H new ATOM 0 HB2 GLU A 333 5.565 -0.285 -9.876 1.00 0.00 H new ATOM 0 HB3 GLU A 333 6.239 -0.873 -8.369 1.00 0.00 H new ATOM 0 HG2 GLU A 333 5.242 -3.223 -9.207 1.00 0.00 H new ATOM 0 HG3 GLU A 333 5.323 -2.461 -10.783 1.00 0.00 H new ATOM 899 N GLN A 334 4.423 -1.588 -6.158 1.00 0.00 N ATOM 900 CA GLN A 334 4.376 -2.477 -4.963 1.00 0.00 C ATOM 901 C GLN A 334 2.955 -2.514 -4.398 1.00 0.00 C ATOM 902 O GLN A 334 2.358 -3.564 -4.264 1.00 0.00 O ATOM 903 CB GLN A 334 5.341 -1.846 -3.959 1.00 0.00 C ATOM 904 CG GLN A 334 6.752 -2.388 -4.198 1.00 0.00 C ATOM 905 CD GLN A 334 7.187 -2.070 -5.630 1.00 0.00 C ATOM 906 OE1 GLN A 334 6.606 -2.563 -6.576 1.00 0.00 O ATOM 907 NE2 GLN A 334 8.192 -1.262 -5.829 1.00 0.00 N ATOM 0 H GLN A 334 4.782 -0.649 -5.986 1.00 0.00 H new ATOM 0 HA GLN A 334 4.654 -3.505 -5.197 1.00 0.00 H new ATOM 0 HB2 GLN A 334 5.334 -0.761 -4.064 1.00 0.00 H new ATOM 0 HB3 GLN A 334 5.021 -2.070 -2.941 1.00 0.00 H new ATOM 0 HG2 GLN A 334 7.449 -1.943 -3.488 1.00 0.00 H new ATOM 0 HG3 GLN A 334 6.772 -3.465 -4.032 1.00 0.00 H new ATOM 0 HE21 GLN A 334 8.679 -0.849 -5.034 1.00 0.00 H new ATOM 0 HE22 GLN A 334 8.490 -1.044 -6.780 1.00 0.00 H new ATOM 916 N VAL A 335 2.404 -1.376 -4.072 1.00 0.00 N ATOM 917 CA VAL A 335 1.019 -1.355 -3.526 1.00 0.00 C ATOM 918 C VAL A 335 0.086 -2.112 -4.476 1.00 0.00 C ATOM 919 O VAL A 335 -0.776 -2.850 -4.050 1.00 0.00 O ATOM 920 CB VAL A 335 0.657 0.133 -3.425 1.00 0.00 C ATOM 921 CG1 VAL A 335 -0.860 0.335 -3.513 1.00 0.00 C ATOM 922 CG2 VAL A 335 1.153 0.667 -2.082 1.00 0.00 C ATOM 0 H VAL A 335 2.852 -0.464 -4.160 1.00 0.00 H new ATOM 0 HA VAL A 335 0.929 -1.841 -2.555 1.00 0.00 H new ATOM 0 HB VAL A 335 1.126 0.667 -4.251 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -1.090 1.398 -3.439 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -1.224 -0.050 -4.466 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -1.346 -0.199 -2.697 1.00 0.00 H new ATOM 0 HG21 VAL A 335 0.903 1.724 -1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 335 0.677 0.114 -1.272 1.00 0.00 H new ATOM 0 HG23 VAL A 335 2.234 0.544 -2.018 1.00 0.00 H new ATOM 932 N LYS A 336 0.260 -1.950 -5.758 1.00 0.00 N ATOM 933 CA LYS A 336 -0.611 -2.687 -6.717 1.00 0.00 C ATOM 934 C LYS A 336 -0.371 -4.189 -6.551 1.00 0.00 C ATOM 935 O LYS A 336 -1.291 -4.953 -6.334 1.00 0.00 O ATOM 936 CB LYS A 336 -0.172 -2.216 -8.102 1.00 0.00 C ATOM 937 CG LYS A 336 -1.095 -2.817 -9.163 1.00 0.00 C ATOM 938 CD LYS A 336 -1.680 -1.696 -10.025 1.00 0.00 C ATOM 939 CE LYS A 336 -2.677 -2.285 -11.025 1.00 0.00 C ATOM 940 NZ LYS A 336 -4.008 -1.785 -10.583 1.00 0.00 N ATOM 0 H LYS A 336 0.962 -1.344 -6.182 1.00 0.00 H new ATOM 0 HA LYS A 336 -1.673 -2.502 -6.557 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -0.202 -1.128 -8.154 1.00 0.00 H new ATOM 0 HB3 LYS A 336 0.859 -2.516 -8.290 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -0.541 -3.519 -9.787 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -1.897 -3.380 -8.686 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -2.176 -0.959 -9.393 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -0.882 -1.177 -10.555 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -2.453 -1.963 -12.042 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -2.643 -3.374 -11.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -4.745 -2.148 -11.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -4.198 -2.112 -9.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -4.013 -0.745 -10.604 1.00 0.00 H new ATOM 954 N HIS A 337 0.862 -4.616 -6.621 1.00 0.00 N ATOM 955 CA HIS A 337 1.147 -6.065 -6.433 1.00 0.00 C ATOM 956 C HIS A 337 0.693 -6.466 -5.031 1.00 0.00 C ATOM 957 O HIS A 337 0.249 -7.571 -4.796 1.00 0.00 O ATOM 958 CB HIS A 337 2.663 -6.204 -6.580 1.00 0.00 C ATOM 959 CG HIS A 337 3.020 -6.267 -8.040 1.00 0.00 C ATOM 960 ND1 HIS A 337 2.815 -5.197 -8.897 1.00 0.00 N ATOM 961 CD2 HIS A 337 3.565 -7.265 -8.811 1.00 0.00 C ATOM 962 CE1 HIS A 337 3.230 -5.572 -10.121 1.00 0.00 C ATOM 963 NE2 HIS A 337 3.697 -6.823 -10.124 1.00 0.00 N ATOM 0 H HIS A 337 1.677 -4.028 -6.799 1.00 0.00 H new ATOM 0 HA HIS A 337 0.630 -6.703 -7.149 1.00 0.00 H new ATOM 0 HB2 HIS A 337 3.164 -5.359 -6.108 1.00 0.00 H new ATOM 0 HB3 HIS A 337 3.008 -7.104 -6.071 1.00 0.00 H new ATOM 0 HD1 HIS A 337 2.421 -4.290 -8.646 1.00 0.00 H new ATOM 0 HD2 HIS A 337 3.848 -8.244 -8.453 1.00 0.00 H new ATOM 0 HE1 HIS A 337 3.190 -4.938 -10.995 1.00 0.00 H new ATOM 971 N PHE A 338 0.780 -5.549 -4.104 1.00 0.00 N ATOM 972 CA PHE A 338 0.330 -5.836 -2.716 1.00 0.00 C ATOM 973 C PHE A 338 -1.197 -5.872 -2.693 1.00 0.00 C ATOM 974 O PHE A 338 -1.810 -6.687 -2.032 1.00 0.00 O ATOM 975 CB PHE A 338 0.842 -4.660 -1.887 1.00 0.00 C ATOM 976 CG PHE A 338 0.142 -4.648 -0.553 1.00 0.00 C ATOM 977 CD1 PHE A 338 0.011 -5.831 0.180 1.00 0.00 C ATOM 978 CD2 PHE A 338 -0.377 -3.452 -0.051 1.00 0.00 C ATOM 979 CE1 PHE A 338 -0.638 -5.817 1.418 1.00 0.00 C ATOM 980 CE2 PHE A 338 -1.027 -3.436 1.186 1.00 0.00 C ATOM 981 CZ PHE A 338 -1.159 -4.620 1.922 1.00 0.00 C ATOM 0 H PHE A 338 1.146 -4.609 -4.253 1.00 0.00 H new ATOM 0 HA PHE A 338 0.697 -6.789 -2.335 1.00 0.00 H new ATOM 0 HB2 PHE A 338 1.919 -4.743 -1.744 1.00 0.00 H new ATOM 0 HB3 PHE A 338 0.661 -3.723 -2.414 1.00 0.00 H new ATOM 0 HD1 PHE A 338 0.411 -6.755 -0.210 1.00 0.00 H new ATOM 0 HD2 PHE A 338 -0.276 -2.539 -0.619 1.00 0.00 H new ATOM 0 HE1 PHE A 338 -0.737 -6.730 1.986 1.00 0.00 H new ATOM 0 HE2 PHE A 338 -1.427 -2.511 1.574 1.00 0.00 H new ATOM 0 HZ PHE A 338 -1.662 -4.609 2.877 1.00 0.00 H new ATOM 991 N GLN A 339 -1.806 -4.986 -3.430 1.00 0.00 N ATOM 992 CA GLN A 339 -3.291 -4.934 -3.490 1.00 0.00 C ATOM 993 C GLN A 339 -3.825 -6.183 -4.194 1.00 0.00 C ATOM 994 O GLN A 339 -4.734 -6.836 -3.719 1.00 0.00 O ATOM 995 CB GLN A 339 -3.593 -3.680 -4.308 1.00 0.00 C ATOM 996 CG GLN A 339 -4.135 -2.584 -3.387 1.00 0.00 C ATOM 997 CD GLN A 339 -4.852 -1.524 -4.223 1.00 0.00 C ATOM 998 OE1 GLN A 339 -4.404 -0.398 -4.313 1.00 0.00 O ATOM 999 NE2 GLN A 339 -5.955 -1.837 -4.844 1.00 0.00 N ATOM 0 H GLN A 339 -1.330 -4.287 -4.000 1.00 0.00 H new ATOM 0 HA GLN A 339 -3.757 -4.903 -2.505 1.00 0.00 H new ATOM 0 HB2 GLN A 339 -2.689 -3.334 -4.809 1.00 0.00 H new ATOM 0 HB3 GLN A 339 -4.321 -3.908 -5.086 1.00 0.00 H new ATOM 0 HG2 GLN A 339 -4.822 -3.014 -2.658 1.00 0.00 H new ATOM 0 HG3 GLN A 339 -3.319 -2.129 -2.826 1.00 0.00 H new ATOM 0 HE21 GLN A 339 -6.332 -2.782 -4.769 1.00 0.00 H new ATOM 0 HE22 GLN A 339 -6.441 -1.137 -5.405 1.00 0.00 H new