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= -0.773 K(o=-0.77,f=-1.7) USER MOD Set 1.2: A 323 ASN : amide:sc= 0 K(o=-0.77,f=-1.3) USER MOD Single : A 293 SER OG : rot 180:sc= -0.0169 USER MOD Single : A 294 GLN : amide:sc= -0.343 K(o=-0.34,f=-3.7!) USER MOD Single : A 307 TYR OH : rot 130:sc= -0.0083 USER MOD Single : A 310 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 320 THR OG1 : rot -35:sc= 0.377 USER MOD Single : A 325 THR OG1 : rot 180:sc= 0.0719 USER MOD Single : A 329 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 334 GLN : amide:sc= -1.35 K(o=-1.3,f=-9.2!) USER MOD Single : A 336 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.0627) USER MOD Single : A 337 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 339 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 133 N PRO A 287 10.684 1.868 -0.530 1.00 0.00 N ATOM 134 CA PRO A 287 10.092 0.680 0.121 1.00 0.00 C ATOM 135 C PRO A 287 10.439 -0.586 -0.667 1.00 0.00 C ATOM 136 O PRO A 287 10.482 -0.580 -1.881 1.00 0.00 O ATOM 137 CB PRO A 287 8.594 0.955 0.069 1.00 0.00 C ATOM 138 CG PRO A 287 8.398 1.884 -1.092 1.00 0.00 C ATOM 139 CD PRO A 287 9.705 2.599 -1.342 1.00 0.00 C ATOM 0 HA PRO A 287 10.457 0.519 1.135 1.00 0.00 H new ATOM 0 HB2 PRO A 287 8.030 0.032 -0.067 1.00 0.00 H new ATOM 0 HB3 PRO A 287 8.245 1.408 0.997 1.00 0.00 H new ATOM 0 HG2 PRO A 287 8.092 1.328 -1.978 1.00 0.00 H new ATOM 0 HG3 PRO A 287 7.606 2.601 -0.877 1.00 0.00 H new ATOM 0 HD2 PRO A 287 9.972 2.580 -2.399 1.00 0.00 H new ATOM 0 HD3 PRO A 287 9.647 3.647 -1.047 1.00 0.00 H new ATOM 147 N GLU A 288 10.680 -1.673 0.012 1.00 0.00 N ATOM 148 CA GLU A 288 11.016 -2.938 -0.701 1.00 0.00 C ATOM 149 C GLU A 288 9.736 -3.621 -1.187 1.00 0.00 C ATOM 150 O GLU A 288 9.684 -4.169 -2.271 1.00 0.00 O ATOM 151 CB GLU A 288 11.726 -3.805 0.341 1.00 0.00 C ATOM 152 CG GLU A 288 12.514 -4.912 -0.364 1.00 0.00 C ATOM 153 CD GLU A 288 12.007 -6.277 0.104 1.00 0.00 C ATOM 154 OE1 GLU A 288 10.828 -6.381 0.396 1.00 0.00 O ATOM 155 OE2 GLU A 288 12.807 -7.196 0.161 1.00 0.00 O ATOM 0 H GLU A 288 10.659 -1.740 1.030 1.00 0.00 H new ATOM 0 HA GLU A 288 11.639 -2.767 -1.579 1.00 0.00 H new ATOM 0 HB2 GLU A 288 12.398 -3.192 0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 288 10.997 -4.242 1.024 1.00 0.00 H new ATOM 0 HG2 GLU A 288 12.402 -4.821 -1.444 1.00 0.00 H new ATOM 0 HG3 GLU A 288 13.577 -4.812 -0.145 1.00 0.00 H new ATOM 162 N ARG A 289 8.701 -3.591 -0.391 1.00 0.00 N ATOM 163 CA ARG A 289 7.421 -4.236 -0.799 1.00 0.00 C ATOM 164 C ARG A 289 6.407 -4.151 0.344 1.00 0.00 C ATOM 165 O ARG A 289 6.748 -3.799 1.458 1.00 0.00 O ATOM 166 CB ARG A 289 7.788 -5.694 -1.080 1.00 0.00 C ATOM 167 CG ARG A 289 7.183 -6.129 -2.416 1.00 0.00 C ATOM 168 CD ARG A 289 7.857 -7.422 -2.879 1.00 0.00 C ATOM 169 NE ARG A 289 6.866 -8.071 -3.781 1.00 0.00 N ATOM 170 CZ ARG A 289 7.116 -8.168 -5.058 1.00 0.00 C ATOM 171 NH1 ARG A 289 7.098 -7.102 -5.809 1.00 0.00 N ATOM 172 NH2 ARG A 289 7.384 -9.332 -5.582 1.00 0.00 N ATOM 0 H ARG A 289 8.688 -3.146 0.527 1.00 0.00 H new ATOM 0 HA ARG A 289 6.969 -3.754 -1.666 1.00 0.00 H new ATOM 0 HB2 ARG A 289 8.872 -5.808 -1.106 1.00 0.00 H new ATOM 0 HB3 ARG A 289 7.420 -6.333 -0.278 1.00 0.00 H new ATOM 0 HG2 ARG A 289 6.109 -6.283 -2.309 1.00 0.00 H new ATOM 0 HG3 ARG A 289 7.320 -5.346 -3.162 1.00 0.00 H new ATOM 0 HD2 ARG A 289 8.791 -7.215 -3.402 1.00 0.00 H new ATOM 0 HD3 ARG A 289 8.101 -8.065 -2.033 1.00 0.00 H new ATOM 0 HE ARG A 289 5.994 -8.439 -3.402 1.00 0.00 H new ATOM 0 HH11 ARG A 289 6.888 -6.192 -5.398 1.00 0.00 H new ATOM 0 HH12 ARG A 289 7.293 -7.178 -6.807 1.00 0.00 H new ATOM 0 HH21 ARG A 289 7.398 -10.165 -4.994 1.00 0.00 H new ATOM 0 HH22 ARG A 289 7.580 -9.409 -6.580 1.00 0.00 H new ATOM 186 N ILE A 290 5.167 -4.476 0.090 1.00 0.00 N ATOM 187 CA ILE A 290 4.154 -4.414 1.182 1.00 0.00 C ATOM 188 C ILE A 290 4.083 -5.759 1.906 1.00 0.00 C ATOM 189 O ILE A 290 4.220 -6.807 1.307 1.00 0.00 O ATOM 190 CB ILE A 290 2.812 -4.118 0.508 1.00 0.00 C ATOM 191 CG1 ILE A 290 2.986 -3.077 -0.600 1.00 0.00 C ATOM 192 CG2 ILE A 290 1.838 -3.576 1.555 1.00 0.00 C ATOM 193 CD1 ILE A 290 3.470 -1.762 0.001 1.00 0.00 C ATOM 0 H ILE A 290 4.815 -4.779 -0.818 1.00 0.00 H new ATOM 0 HA ILE A 290 4.410 -3.650 1.916 1.00 0.00 H new ATOM 0 HB ILE A 290 2.425 -5.038 0.070 1.00 0.00 H new ATOM 0 HG12 ILE A 290 3.702 -3.435 -1.339 1.00 0.00 H new ATOM 0 HG13 ILE A 290 2.040 -2.924 -1.120 1.00 0.00 H new ATOM 0 HG21 ILE A 290 0.879 -3.362 1.083 1.00 0.00 H new ATOM 0 HG22 ILE A 290 1.699 -4.318 2.341 1.00 0.00 H new ATOM 0 HG23 ILE A 290 2.241 -2.661 1.988 1.00 0.00 H new ATOM 0 HD11 ILE A 290 3.593 -1.023 -0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 290 2.738 -1.401 0.724 1.00 0.00 H new ATOM 0 HD13 ILE A 290 4.426 -1.920 0.501 1.00 0.00 H new ATOM 205 N ILE A 291 3.852 -5.739 3.188 1.00 0.00 N ATOM 206 CA ILE A 291 3.752 -7.020 3.948 1.00 0.00 C ATOM 207 C ILE A 291 2.373 -7.121 4.593 1.00 0.00 C ATOM 208 O ILE A 291 1.857 -8.198 4.818 1.00 0.00 O ATOM 209 CB ILE A 291 4.846 -6.995 5.030 1.00 0.00 C ATOM 210 CG1 ILE A 291 5.300 -5.555 5.334 1.00 0.00 C ATOM 211 CG2 ILE A 291 6.037 -7.822 4.555 1.00 0.00 C ATOM 212 CD1 ILE A 291 6.305 -5.083 4.276 1.00 0.00 C ATOM 0 H ILE A 291 3.728 -4.893 3.744 1.00 0.00 H new ATOM 0 HA ILE A 291 3.886 -7.880 3.292 1.00 0.00 H new ATOM 0 HB ILE A 291 4.437 -7.418 5.947 1.00 0.00 H new ATOM 0 HG12 ILE A 291 4.437 -4.889 5.349 1.00 0.00 H new ATOM 0 HG13 ILE A 291 5.755 -5.510 6.324 1.00 0.00 H new ATOM 0 HG21 ILE A 291 6.816 -7.809 5.317 1.00 0.00 H new ATOM 0 HG22 ILE A 291 5.719 -8.850 4.379 1.00 0.00 H new ATOM 0 HG23 ILE A 291 6.427 -7.399 3.629 1.00 0.00 H new ATOM 0 HD11 ILE A 291 6.619 -4.064 4.501 1.00 0.00 H new ATOM 0 HD12 ILE A 291 7.175 -5.740 4.282 1.00 0.00 H new ATOM 0 HD13 ILE A 291 5.837 -5.109 3.292 1.00 0.00 H new ATOM 224 N ASP A 292 1.770 -6.005 4.886 1.00 0.00 N ATOM 225 CA ASP A 292 0.421 -6.035 5.509 1.00 0.00 C ATOM 226 C ASP A 292 -0.291 -4.698 5.285 1.00 0.00 C ATOM 227 O ASP A 292 0.284 -3.757 4.775 1.00 0.00 O ATOM 228 CB ASP A 292 0.676 -6.267 6.998 1.00 0.00 C ATOM 229 CG ASP A 292 -0.659 -6.426 7.727 1.00 0.00 C ATOM 230 OD1 ASP A 292 -1.482 -7.193 7.253 1.00 0.00 O ATOM 231 OD2 ASP A 292 -0.837 -5.780 8.746 1.00 0.00 O ATOM 0 H ASP A 292 2.153 -5.074 4.721 1.00 0.00 H new ATOM 0 HA ASP A 292 -0.216 -6.810 5.082 1.00 0.00 H new ATOM 0 HB2 ASP A 292 1.287 -7.159 7.138 1.00 0.00 H new ATOM 0 HB3 ASP A 292 1.233 -5.429 7.417 1.00 0.00 H new ATOM 236 N SER A 293 -1.538 -4.604 5.657 1.00 0.00 N ATOM 237 CA SER A 293 -2.277 -3.326 5.459 1.00 0.00 C ATOM 238 C SER A 293 -3.080 -2.971 6.714 1.00 0.00 C ATOM 239 O SER A 293 -3.492 -3.833 7.464 1.00 0.00 O ATOM 240 CB SER A 293 -3.213 -3.590 4.281 1.00 0.00 C ATOM 241 OG SER A 293 -3.535 -4.975 4.241 1.00 0.00 O ATOM 0 H SER A 293 -2.076 -5.355 6.089 1.00 0.00 H new ATOM 0 HA SER A 293 -1.605 -2.489 5.269 1.00 0.00 H new ATOM 0 HB2 SER A 293 -4.121 -2.996 4.382 1.00 0.00 H new ATOM 0 HB3 SER A 293 -2.737 -3.288 3.348 1.00 0.00 H new ATOM 0 HG SER A 293 -4.137 -5.149 3.487 1.00 0.00 H new ATOM 247 N GLN A 294 -3.302 -1.706 6.948 1.00 0.00 N ATOM 248 CA GLN A 294 -4.073 -1.296 8.155 1.00 0.00 C ATOM 249 C GLN A 294 -5.042 -0.163 7.806 1.00 0.00 C ATOM 250 O GLN A 294 -4.716 1.002 7.916 1.00 0.00 O ATOM 251 CB GLN A 294 -3.019 -0.812 9.150 1.00 0.00 C ATOM 252 CG GLN A 294 -3.661 -0.638 10.528 1.00 0.00 C ATOM 253 CD GLN A 294 -3.030 0.562 11.238 1.00 0.00 C ATOM 254 OE1 GLN A 294 -2.393 1.386 10.613 1.00 0.00 O ATOM 255 NE2 GLN A 294 -3.179 0.696 12.528 1.00 0.00 N ATOM 0 H GLN A 294 -2.983 -0.940 6.356 1.00 0.00 H new ATOM 0 HA GLN A 294 -4.673 -2.112 8.559 1.00 0.00 H new ATOM 0 HB2 GLN A 294 -2.200 -1.529 9.206 1.00 0.00 H new ATOM 0 HB3 GLN A 294 -2.593 0.133 8.814 1.00 0.00 H new ATOM 0 HG2 GLN A 294 -4.736 -0.488 10.424 1.00 0.00 H new ATOM 0 HG3 GLN A 294 -3.521 -1.541 11.123 1.00 0.00 H new ATOM 0 HE21 GLN A 294 -3.714 0.005 13.054 1.00 0.00 H new ATOM 0 HE22 GLN A 294 -2.761 1.492 13.010 1.00 0.00 H new ATOM 404 N LEU A 305 -6.037 4.950 5.891 1.00 0.00 N ATOM 405 CA LEU A 305 -5.494 3.742 5.208 1.00 0.00 C ATOM 406 C LEU A 305 -3.968 3.708 5.334 1.00 0.00 C ATOM 407 O LEU A 305 -3.297 4.695 5.105 1.00 0.00 O ATOM 408 CB LEU A 305 -5.907 3.903 3.745 1.00 0.00 C ATOM 409 CG LEU A 305 -5.352 2.740 2.924 1.00 0.00 C ATOM 410 CD1 LEU A 305 -5.991 1.432 3.390 1.00 0.00 C ATOM 411 CD2 LEU A 305 -5.673 2.965 1.444 1.00 0.00 C ATOM 0 HA LEU A 305 -5.869 2.814 5.640 1.00 0.00 H new ATOM 0 HB2 LEU A 305 -6.994 3.932 3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 305 -5.533 4.849 3.353 1.00 0.00 H new ATOM 0 HG LEU A 305 -4.272 2.683 3.060 1.00 0.00 H new ATOM 0 HD11 LEU A 305 -5.594 0.604 2.803 1.00 0.00 H new ATOM 0 HD12 LEU A 305 -5.764 1.272 4.444 1.00 0.00 H new ATOM 0 HD13 LEU A 305 -7.071 1.487 3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 305 -5.278 2.137 0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 305 -6.753 3.022 1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 305 -5.216 3.897 1.110 1.00 0.00 H new ATOM 423 N GLN A 306 -3.414 2.585 5.698 1.00 0.00 N ATOM 424 CA GLN A 306 -1.931 2.501 5.837 1.00 0.00 C ATOM 425 C GLN A 306 -1.425 1.129 5.376 1.00 0.00 C ATOM 426 O GLN A 306 -2.020 0.109 5.659 1.00 0.00 O ATOM 427 CB GLN A 306 -1.665 2.701 7.330 1.00 0.00 C ATOM 428 CG GLN A 306 -1.709 4.195 7.662 1.00 0.00 C ATOM 429 CD GLN A 306 -0.359 4.632 8.235 1.00 0.00 C ATOM 430 OE1 GLN A 306 0.173 5.655 7.853 1.00 0.00 O ATOM 431 NE2 GLN A 306 0.220 3.894 9.142 1.00 0.00 N ATOM 0 H GLN A 306 -3.921 1.724 5.905 1.00 0.00 H new ATOM 0 HA GLN A 306 -1.417 3.243 5.226 1.00 0.00 H new ATOM 0 HB2 GLN A 306 -2.410 2.165 7.918 1.00 0.00 H new ATOM 0 HB3 GLN A 306 -0.692 2.287 7.595 1.00 0.00 H new ATOM 0 HG2 GLN A 306 -1.939 4.771 6.765 1.00 0.00 H new ATOM 0 HG3 GLN A 306 -2.503 4.395 8.381 1.00 0.00 H new ATOM 0 HE21 GLN A 306 -0.227 3.035 9.462 1.00 0.00 H new ATOM 0 HE22 GLN A 306 1.120 4.176 9.531 1.00 0.00 H new ATOM 440 N TYR A 307 -0.329 1.103 4.668 1.00 0.00 N ATOM 441 CA TYR A 307 0.226 -0.196 4.183 1.00 0.00 C ATOM 442 C TYR A 307 1.570 -0.481 4.857 1.00 0.00 C ATOM 443 O TYR A 307 2.462 0.344 4.851 1.00 0.00 O ATOM 444 CB TYR A 307 0.432 -0.001 2.680 1.00 0.00 C ATOM 445 CG TYR A 307 -0.792 -0.442 1.908 1.00 0.00 C ATOM 446 CD1 TYR A 307 -2.007 -0.678 2.565 1.00 0.00 C ATOM 447 CD2 TYR A 307 -0.704 -0.618 0.522 1.00 0.00 C ATOM 448 CE1 TYR A 307 -3.130 -1.089 1.835 1.00 0.00 C ATOM 449 CE2 TYR A 307 -1.826 -1.028 -0.207 1.00 0.00 C ATOM 450 CZ TYR A 307 -3.039 -1.264 0.449 1.00 0.00 C ATOM 451 OH TYR A 307 -4.145 -1.669 -0.269 1.00 0.00 O ATOM 0 H TYR A 307 0.209 1.928 4.403 1.00 0.00 H new ATOM 0 HA TYR A 307 -0.436 -1.033 4.407 1.00 0.00 H new ATOM 0 HB2 TYR A 307 0.641 1.048 2.470 1.00 0.00 H new ATOM 0 HB3 TYR A 307 1.300 -0.571 2.350 1.00 0.00 H new ATOM 0 HD1 TYR A 307 -2.078 -0.543 3.634 1.00 0.00 H new ATOM 0 HD2 TYR A 307 0.232 -0.437 0.014 1.00 0.00 H new ATOM 0 HE1 TYR A 307 -4.066 -1.271 2.342 1.00 0.00 H new ATOM 0 HE2 TYR A 307 -1.756 -1.162 -1.276 1.00 0.00 H new ATOM 0 HH TYR A 307 -4.273 -1.073 -1.037 1.00 0.00 H new ATOM 461 N LEU A 308 1.731 -1.644 5.424 1.00 0.00 N ATOM 462 CA LEU A 308 3.029 -1.975 6.078 1.00 0.00 C ATOM 463 C LEU A 308 4.098 -2.197 5.006 1.00 0.00 C ATOM 464 O LEU A 308 3.941 -3.019 4.124 1.00 0.00 O ATOM 465 CB LEU A 308 2.772 -3.267 6.854 1.00 0.00 C ATOM 466 CG LEU A 308 3.955 -3.551 7.780 1.00 0.00 C ATOM 467 CD1 LEU A 308 3.965 -2.537 8.924 1.00 0.00 C ATOM 468 CD2 LEU A 308 3.825 -4.963 8.353 1.00 0.00 C ATOM 0 H LEU A 308 1.023 -2.378 5.463 1.00 0.00 H new ATOM 0 HA LEU A 308 3.382 -1.178 6.733 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.855 -3.178 7.436 1.00 0.00 H new ATOM 0 HB3 LEU A 308 2.631 -4.097 6.162 1.00 0.00 H new ATOM 0 HG LEU A 308 4.884 -3.470 7.216 1.00 0.00 H new ATOM 0 HD11 LEU A 308 4.809 -2.741 9.583 1.00 0.00 H new ATOM 0 HD12 LEU A 308 4.057 -1.530 8.517 1.00 0.00 H new ATOM 0 HD13 LEU A 308 3.036 -2.616 9.489 1.00 0.00 H new ATOM 0 HD21 LEU A 308 4.668 -5.167 9.013 1.00 0.00 H new ATOM 0 HD22 LEU A 308 2.895 -5.043 8.916 1.00 0.00 H new ATOM 0 HD23 LEU A 308 3.819 -5.687 7.538 1.00 0.00 H new ATOM 480 N VAL A 309 5.179 -1.469 5.061 1.00 0.00 N ATOM 481 CA VAL A 309 6.239 -1.645 4.027 1.00 0.00 C ATOM 482 C VAL A 309 7.592 -1.935 4.679 1.00 0.00 C ATOM 483 O VAL A 309 7.876 -1.491 5.774 1.00 0.00 O ATOM 484 CB VAL A 309 6.287 -0.317 3.276 1.00 0.00 C ATOM 485 CG1 VAL A 309 7.063 -0.504 1.972 1.00 0.00 C ATOM 486 CG2 VAL A 309 4.861 0.143 2.959 1.00 0.00 C ATOM 0 H VAL A 309 5.374 -0.764 5.772 1.00 0.00 H new ATOM 0 HA VAL A 309 6.023 -2.485 3.367 1.00 0.00 H new ATOM 0 HB VAL A 309 6.781 0.434 3.892 1.00 0.00 H new ATOM 0 HG11 VAL A 309 7.100 0.442 1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 309 8.077 -0.834 2.196 1.00 0.00 H new ATOM 0 HG13 VAL A 309 6.565 -1.254 1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 309 4.895 1.091 2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 309 4.366 -0.606 2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 309 4.305 0.271 3.888 1.00 0.00 H new ATOM 496 N LYS A 310 8.433 -2.674 4.007 1.00 0.00 N ATOM 497 CA LYS A 310 9.773 -2.990 4.578 1.00 0.00 C ATOM 498 C LYS A 310 10.853 -2.173 3.863 1.00 0.00 C ATOM 499 O LYS A 310 11.414 -2.597 2.872 1.00 0.00 O ATOM 500 CB LYS A 310 9.970 -4.485 4.323 1.00 0.00 C ATOM 501 CG LYS A 310 11.367 -4.902 4.786 1.00 0.00 C ATOM 502 CD LYS A 310 11.248 -5.999 5.845 1.00 0.00 C ATOM 503 CE LYS A 310 10.957 -7.337 5.165 1.00 0.00 C ATOM 504 NZ LYS A 310 12.226 -8.108 5.274 1.00 0.00 N ATOM 0 H LYS A 310 8.249 -3.073 3.086 1.00 0.00 H new ATOM 0 HA LYS A 310 9.841 -2.748 5.639 1.00 0.00 H new ATOM 0 HB2 LYS A 310 9.212 -5.059 4.857 1.00 0.00 H new ATOM 0 HB3 LYS A 310 9.847 -4.703 3.262 1.00 0.00 H new ATOM 0 HG2 LYS A 310 11.950 -5.262 3.938 1.00 0.00 H new ATOM 0 HG3 LYS A 310 11.897 -4.042 5.196 1.00 0.00 H new ATOM 0 HD2 LYS A 310 12.171 -6.065 6.420 1.00 0.00 H new ATOM 0 HD3 LYS A 310 10.451 -5.756 6.548 1.00 0.00 H new ATOM 0 HE2 LYS A 310 10.135 -7.858 5.655 1.00 0.00 H new ATOM 0 HE3 LYS A 310 10.669 -7.196 4.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 310 12.105 -9.040 4.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 310 12.989 -7.591 4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 310 12.471 -8.233 6.277 1.00 0.00 H new ATOM 681 N THR A 320 8.005 -0.811 8.911 1.00 0.00 N ATOM 682 CA THR A 320 7.069 0.032 9.708 1.00 0.00 C ATOM 683 C THR A 320 5.738 0.200 8.968 1.00 0.00 C ATOM 684 O THR A 320 5.419 -0.547 8.063 1.00 0.00 O ATOM 685 CB THR A 320 7.775 1.380 9.853 1.00 0.00 C ATOM 686 OG1 THR A 320 8.149 1.856 8.567 1.00 0.00 O ATOM 687 CG2 THR A 320 9.021 1.214 10.724 1.00 0.00 C ATOM 0 HA THR A 320 6.837 -0.414 10.675 1.00 0.00 H new ATOM 0 HB THR A 320 7.102 2.097 10.323 1.00 0.00 H new ATOM 0 HG1 THR A 320 8.399 1.098 7.998 1.00 0.00 H new ATOM 0 HG21 THR A 320 9.524 2.176 10.827 1.00 0.00 H new ATOM 0 HG22 THR A 320 8.730 0.849 11.709 1.00 0.00 H new ATOM 0 HG23 THR A 320 9.698 0.499 10.258 1.00 0.00 H new ATOM 695 N TRP A 321 4.957 1.174 9.349 1.00 0.00 N ATOM 696 CA TRP A 321 3.646 1.386 8.673 1.00 0.00 C ATOM 697 C TRP A 321 3.613 2.745 7.973 1.00 0.00 C ATOM 698 O TRP A 321 4.091 3.736 8.488 1.00 0.00 O ATOM 699 CB TRP A 321 2.611 1.352 9.796 1.00 0.00 C ATOM 700 CG TRP A 321 2.139 -0.050 10.004 1.00 0.00 C ATOM 701 CD1 TRP A 321 2.471 -0.830 11.058 1.00 0.00 C ATOM 702 CD2 TRP A 321 1.256 -0.850 9.163 1.00 0.00 C ATOM 703 NE1 TRP A 321 1.846 -2.057 10.921 1.00 0.00 N ATOM 704 CE2 TRP A 321 1.086 -2.118 9.769 1.00 0.00 C ATOM 705 CE3 TRP A 321 0.591 -0.600 7.948 1.00 0.00 C ATOM 706 CZ2 TRP A 321 0.285 -3.103 9.188 1.00 0.00 C ATOM 707 CZ3 TRP A 321 -0.214 -1.591 7.363 1.00 0.00 C ATOM 708 CH2 TRP A 321 -0.368 -2.838 7.982 1.00 0.00 C ATOM 0 H TRP A 321 5.170 1.832 10.099 1.00 0.00 H new ATOM 0 HA TRP A 321 3.458 0.630 7.910 1.00 0.00 H new ATOM 0 HB2 TRP A 321 3.047 1.740 10.717 1.00 0.00 H new ATOM 0 HB3 TRP A 321 1.768 1.996 9.546 1.00 0.00 H new ATOM 0 HD1 TRP A 321 3.118 -0.542 11.873 1.00 0.00 H new ATOM 0 HE1 TRP A 321 1.936 -2.823 11.589 1.00 0.00 H new ATOM 0 HE3 TRP A 321 0.700 0.359 7.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 321 0.171 -4.064 9.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 321 -0.718 -1.390 6.429 1.00 0.00 H new ATOM 0 HH2 TRP A 321 -0.991 -3.594 7.527 1.00 0.00 H new ATOM 719 N GLU A 322 3.036 2.798 6.806 1.00 0.00 N ATOM 720 CA GLU A 322 2.950 4.089 6.071 1.00 0.00 C ATOM 721 C GLU A 322 1.612 4.164 5.334 1.00 0.00 C ATOM 722 O GLU A 322 1.020 3.157 5.004 1.00 0.00 O ATOM 723 CB GLU A 322 4.118 4.072 5.083 1.00 0.00 C ATOM 724 CG GLU A 322 5.350 4.695 5.746 1.00 0.00 C ATOM 725 CD GLU A 322 5.972 5.732 4.808 1.00 0.00 C ATOM 726 OE1 GLU A 322 5.329 6.083 3.833 1.00 0.00 O ATOM 727 OE2 GLU A 322 7.083 6.159 5.082 1.00 0.00 O ATOM 0 H GLU A 322 2.619 1.999 6.328 1.00 0.00 H new ATOM 0 HA GLU A 322 3.006 4.954 6.732 1.00 0.00 H new ATOM 0 HB2 GLU A 322 4.334 3.049 4.775 1.00 0.00 H new ATOM 0 HB3 GLU A 322 3.856 4.627 4.182 1.00 0.00 H new ATOM 0 HG2 GLU A 322 5.069 5.165 6.688 1.00 0.00 H new ATOM 0 HG3 GLU A 322 6.079 3.920 5.981 1.00 0.00 H new ATOM 734 N ASN A 323 1.126 5.344 5.078 1.00 0.00 N ATOM 735 CA ASN A 323 -0.174 5.470 4.371 1.00 0.00 C ATOM 736 C ASN A 323 -0.148 4.648 3.084 1.00 0.00 C ATOM 737 O ASN A 323 0.799 4.697 2.325 1.00 0.00 O ATOM 738 CB ASN A 323 -0.304 6.960 4.057 1.00 0.00 C ATOM 739 CG ASN A 323 -0.653 7.721 5.336 1.00 0.00 C ATOM 740 OD1 ASN A 323 0.218 8.059 6.113 1.00 0.00 O ATOM 741 ND2 ASN A 323 -1.900 8.006 5.591 1.00 0.00 N ATOM 0 H ASN A 323 1.573 6.226 5.328 1.00 0.00 H new ATOM 0 HA ASN A 323 -1.012 5.105 4.965 1.00 0.00 H new ATOM 0 HB2 ASN A 323 0.629 7.338 3.640 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -1.077 7.118 3.305 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -2.144 8.512 6.442 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -2.632 7.723 4.939 1.00 0.00 H new ATOM 748 N ALA A 324 -1.186 3.907 2.818 1.00 0.00 N ATOM 749 CA ALA A 324 -1.211 3.110 1.566 1.00 0.00 C ATOM 750 C ALA A 324 -1.276 4.073 0.387 1.00 0.00 C ATOM 751 O ALA A 324 -1.030 3.715 -0.748 1.00 0.00 O ATOM 752 CB ALA A 324 -2.484 2.266 1.649 1.00 0.00 C ATOM 0 H ALA A 324 -2.012 3.820 3.410 1.00 0.00 H new ATOM 0 HA ALA A 324 -0.332 2.478 1.439 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -2.570 1.649 0.755 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -2.439 1.625 2.529 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -3.351 2.922 1.722 1.00 0.00 H new ATOM 758 N THR A 325 -1.595 5.306 0.663 1.00 0.00 N ATOM 759 CA THR A 325 -1.676 6.321 -0.415 1.00 0.00 C ATOM 760 C THR A 325 -0.267 6.739 -0.831 1.00 0.00 C ATOM 761 O THR A 325 0.073 6.752 -1.998 1.00 0.00 O ATOM 762 CB THR A 325 -2.426 7.486 0.224 1.00 0.00 C ATOM 763 OG1 THR A 325 -3.352 6.979 1.178 1.00 0.00 O ATOM 764 CG2 THR A 325 -3.169 8.273 -0.852 1.00 0.00 C ATOM 0 H THR A 325 -1.804 5.654 1.599 1.00 0.00 H new ATOM 0 HA THR A 325 -2.175 5.958 -1.313 1.00 0.00 H new ATOM 0 HB THR A 325 -1.718 8.149 0.721 1.00 0.00 H new ATOM 0 HG1 THR A 325 -3.835 7.724 1.593 1.00 0.00 H new ATOM 0 HG21 THR A 325 -3.703 9.104 -0.391 1.00 0.00 H new ATOM 0 HG22 THR A 325 -2.455 8.659 -1.579 1.00 0.00 H new ATOM 0 HG23 THR A 325 -3.881 7.619 -1.355 1.00 0.00 H new ATOM 772 N ASP A 326 0.557 7.066 0.121 1.00 0.00 N ATOM 773 CA ASP A 326 1.952 7.466 -0.209 1.00 0.00 C ATOM 774 C ASP A 326 2.665 6.306 -0.902 1.00 0.00 C ATOM 775 O ASP A 326 3.257 6.465 -1.950 1.00 0.00 O ATOM 776 CB ASP A 326 2.609 7.773 1.137 1.00 0.00 C ATOM 777 CG ASP A 326 2.583 9.281 1.390 1.00 0.00 C ATOM 778 OD1 ASP A 326 3.253 9.996 0.661 1.00 0.00 O ATOM 779 OD2 ASP A 326 1.895 9.697 2.308 1.00 0.00 O ATOM 0 H ASP A 326 0.326 7.074 1.114 1.00 0.00 H new ATOM 0 HA ASP A 326 1.994 8.323 -0.881 1.00 0.00 H new ATOM 0 HB2 ASP A 326 2.084 7.251 1.937 1.00 0.00 H new ATOM 0 HB3 ASP A 326 3.637 7.411 1.142 1.00 0.00 H new ATOM 784 N ILE A 327 2.608 5.134 -0.326 1.00 0.00 N ATOM 785 CA ILE A 327 3.280 3.965 -0.958 1.00 0.00 C ATOM 786 C ILE A 327 2.702 3.727 -2.355 1.00 0.00 C ATOM 787 O ILE A 327 3.387 3.271 -3.245 1.00 0.00 O ATOM 788 CB ILE A 327 2.988 2.781 -0.037 1.00 0.00 C ATOM 789 CG1 ILE A 327 3.695 2.994 1.302 1.00 0.00 C ATOM 790 CG2 ILE A 327 3.504 1.492 -0.680 1.00 0.00 C ATOM 791 CD1 ILE A 327 5.189 3.212 1.058 1.00 0.00 C ATOM 0 H ILE A 327 2.127 4.938 0.552 1.00 0.00 H new ATOM 0 HA ILE A 327 4.353 4.118 -1.078 1.00 0.00 H new ATOM 0 HB ILE A 327 1.913 2.703 0.123 1.00 0.00 H new ATOM 0 HG12 ILE A 327 3.270 3.855 1.817 1.00 0.00 H new ATOM 0 HG13 ILE A 327 3.543 2.129 1.948 1.00 0.00 H new ATOM 0 HG21 ILE A 327 3.295 0.648 -0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 327 3.006 1.338 -1.637 1.00 0.00 H new ATOM 0 HG23 ILE A 327 4.579 1.570 -0.839 1.00 0.00 H new ATOM 0 HD11 ILE A 327 5.695 3.364 2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 327 5.608 2.337 0.560 1.00 0.00 H new ATOM 0 HD13 ILE A 327 5.330 4.090 0.428 1.00 0.00 H new ATOM 803 N VAL A 328 1.454 4.046 -2.568 1.00 0.00 N ATOM 804 CA VAL A 328 0.882 3.850 -3.928 1.00 0.00 C ATOM 805 C VAL A 328 1.659 4.731 -4.903 1.00 0.00 C ATOM 806 O VAL A 328 2.062 4.303 -5.963 1.00 0.00 O ATOM 807 CB VAL A 328 -0.577 4.298 -3.826 1.00 0.00 C ATOM 808 CG1 VAL A 328 -1.110 4.654 -5.217 1.00 0.00 C ATOM 809 CG2 VAL A 328 -1.413 3.161 -3.241 1.00 0.00 C ATOM 0 H VAL A 328 0.815 4.428 -1.870 1.00 0.00 H new ATOM 0 HA VAL A 328 0.944 2.820 -4.279 1.00 0.00 H new ATOM 0 HB VAL A 328 -0.641 5.175 -3.181 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -2.149 4.972 -5.138 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -0.514 5.463 -5.639 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -1.046 3.780 -5.866 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -2.454 3.476 -3.166 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -1.344 2.288 -3.889 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -1.039 2.907 -2.249 1.00 0.00 H new ATOM 819 N LYS A 329 1.889 5.958 -4.532 1.00 0.00 N ATOM 820 CA LYS A 329 2.660 6.878 -5.415 1.00 0.00 C ATOM 821 C LYS A 329 4.157 6.606 -5.252 1.00 0.00 C ATOM 822 O LYS A 329 4.888 6.499 -6.217 1.00 0.00 O ATOM 823 CB LYS A 329 2.310 8.285 -4.931 1.00 0.00 C ATOM 824 CG LYS A 329 0.910 8.659 -5.423 1.00 0.00 C ATOM 825 CD LYS A 329 0.369 9.817 -4.584 1.00 0.00 C ATOM 826 CE LYS A 329 1.403 10.944 -4.549 1.00 0.00 C ATOM 827 NZ LYS A 329 0.600 12.195 -4.464 1.00 0.00 N ATOM 0 H LYS A 329 1.575 6.366 -3.651 1.00 0.00 H new ATOM 0 HA LYS A 329 2.419 6.748 -6.470 1.00 0.00 H new ATOM 0 HB2 LYS A 329 2.348 8.327 -3.842 1.00 0.00 H new ATOM 0 HB3 LYS A 329 3.042 9.002 -5.303 1.00 0.00 H new ATOM 0 HG2 LYS A 329 0.946 8.943 -6.475 1.00 0.00 H new ATOM 0 HG3 LYS A 329 0.244 7.799 -5.348 1.00 0.00 H new ATOM 0 HD2 LYS A 329 -0.568 10.181 -5.007 1.00 0.00 H new ATOM 0 HD3 LYS A 329 0.151 9.477 -3.572 1.00 0.00 H new ATOM 0 HE2 LYS A 329 2.069 10.843 -3.692 1.00 0.00 H new ATOM 0 HE3 LYS A 329 2.028 10.935 -5.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 329 1.238 13.016 -4.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 329 -0.020 12.267 -5.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 329 0.020 12.177 -3.601 1.00 0.00 H new ATOM 841 N LEU A 330 4.617 6.472 -4.035 1.00 0.00 N ATOM 842 CA LEU A 330 6.059 6.184 -3.811 1.00 0.00 C ATOM 843 C LEU A 330 6.389 4.822 -4.412 1.00 0.00 C ATOM 844 O LEU A 330 7.349 4.657 -5.138 1.00 0.00 O ATOM 845 CB LEU A 330 6.212 6.146 -2.294 1.00 0.00 C ATOM 846 CG LEU A 330 7.472 6.912 -1.885 1.00 0.00 C ATOM 847 CD1 LEU A 330 7.184 8.413 -1.910 1.00 0.00 C ATOM 848 CD2 LEU A 330 7.887 6.497 -0.471 1.00 0.00 C ATOM 0 H LEU A 330 4.054 6.550 -3.188 1.00 0.00 H new ATOM 0 HA LEU A 330 6.721 6.919 -4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 330 5.336 6.587 -1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 330 6.275 5.113 -1.951 1.00 0.00 H new ATOM 0 HG LEU A 330 8.278 6.683 -2.582 1.00 0.00 H new ATOM 0 HD11 LEU A 330 8.080 8.960 -1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 330 6.888 8.710 -2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 330 6.378 8.640 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 330 8.785 7.043 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 330 7.081 6.726 0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 330 8.091 5.426 -0.451 1.00 0.00 H new ATOM 860 N ALA A 331 5.576 3.850 -4.113 1.00 0.00 N ATOM 861 CA ALA A 331 5.791 2.483 -4.652 1.00 0.00 C ATOM 862 C ALA A 331 4.460 1.929 -5.176 1.00 0.00 C ATOM 863 O ALA A 331 3.837 1.106 -4.536 1.00 0.00 O ATOM 864 CB ALA A 331 6.285 1.660 -3.462 1.00 0.00 C ATOM 0 H ALA A 331 4.760 3.948 -3.509 1.00 0.00 H new ATOM 0 HA ALA A 331 6.503 2.461 -5.477 1.00 0.00 H new ATOM 0 HB1 ALA A 331 6.467 0.634 -3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 331 7.210 2.091 -3.080 1.00 0.00 H new ATOM 0 HB3 ALA A 331 5.530 1.668 -2.676 1.00 0.00 H new ATOM 870 N PRO A 332 4.069 2.408 -6.327 1.00 0.00 N ATOM 871 CA PRO A 332 2.794 1.964 -6.949 1.00 0.00 C ATOM 872 C PRO A 332 2.898 0.499 -7.371 1.00 0.00 C ATOM 873 O PRO A 332 2.013 -0.296 -7.121 1.00 0.00 O ATOM 874 CB PRO A 332 2.653 2.875 -8.169 1.00 0.00 C ATOM 875 CG PRO A 332 4.049 3.310 -8.478 1.00 0.00 C ATOM 876 CD PRO A 332 4.769 3.391 -7.158 1.00 0.00 C ATOM 0 HA PRO A 332 1.939 2.030 -6.276 1.00 0.00 H new ATOM 0 HB2 PRO A 332 2.208 2.344 -9.011 1.00 0.00 H new ATOM 0 HB3 PRO A 332 2.010 3.729 -7.954 1.00 0.00 H new ATOM 0 HG2 PRO A 332 4.539 2.600 -9.145 1.00 0.00 H new ATOM 0 HG3 PRO A 332 4.052 4.276 -8.983 1.00 0.00 H new ATOM 0 HD2 PRO A 332 5.827 3.149 -7.262 1.00 0.00 H new ATOM 0 HD3 PRO A 332 4.712 4.392 -6.730 1.00 0.00 H new ATOM 884 N GLU A 333 3.979 0.133 -8.003 1.00 0.00 N ATOM 885 CA GLU A 333 4.143 -1.283 -8.434 1.00 0.00 C ATOM 886 C GLU A 333 4.045 -2.205 -7.217 1.00 0.00 C ATOM 887 O GLU A 333 3.498 -3.287 -7.287 1.00 0.00 O ATOM 888 CB GLU A 333 5.540 -1.350 -9.051 1.00 0.00 C ATOM 889 CG GLU A 333 5.531 -0.642 -10.408 1.00 0.00 C ATOM 890 CD GLU A 333 5.416 -1.682 -11.524 1.00 0.00 C ATOM 891 OE1 GLU A 333 5.273 -2.851 -11.206 1.00 0.00 O ATOM 892 OE2 GLU A 333 5.474 -1.292 -12.678 1.00 0.00 O ATOM 0 H GLU A 333 4.754 0.752 -8.239 1.00 0.00 H new ATOM 0 HA GLU A 333 3.376 -1.599 -9.141 1.00 0.00 H new ATOM 0 HB2 GLU A 333 6.265 -0.879 -8.388 1.00 0.00 H new ATOM 0 HB3 GLU A 333 5.846 -2.389 -9.173 1.00 0.00 H new ATOM 0 HG2 GLU A 333 4.696 0.057 -10.460 1.00 0.00 H new ATOM 0 HG3 GLU A 333 6.443 -0.059 -10.532 1.00 0.00 H new ATOM 899 N GLN A 334 4.564 -1.776 -6.098 1.00 0.00 N ATOM 900 CA GLN A 334 4.493 -2.620 -4.873 1.00 0.00 C ATOM 901 C GLN A 334 3.056 -2.659 -4.353 1.00 0.00 C ATOM 902 O GLN A 334 2.466 -3.709 -4.212 1.00 0.00 O ATOM 903 CB GLN A 334 5.411 -1.935 -3.860 1.00 0.00 C ATOM 904 CG GLN A 334 6.848 -2.419 -4.058 1.00 0.00 C ATOM 905 CD GLN A 334 7.805 -1.493 -3.305 1.00 0.00 C ATOM 906 OE1 GLN A 334 7.421 -0.853 -2.345 1.00 0.00 O ATOM 907 NE2 GLN A 334 9.045 -1.392 -3.701 1.00 0.00 N ATOM 0 H GLN A 334 5.033 -0.878 -5.980 1.00 0.00 H new ATOM 0 HA GLN A 334 4.797 -3.650 -5.061 1.00 0.00 H new ATOM 0 HB2 GLN A 334 5.361 -0.853 -3.983 1.00 0.00 H new ATOM 0 HB3 GLN A 334 5.079 -2.156 -2.846 1.00 0.00 H new ATOM 0 HG2 GLN A 334 6.952 -3.441 -3.694 1.00 0.00 H new ATOM 0 HG3 GLN A 334 7.096 -2.431 -5.119 1.00 0.00 H new ATOM 0 HE21 GLN A 334 9.369 -1.928 -4.506 1.00 0.00 H new ATOM 0 HE22 GLN A 334 9.690 -0.777 -3.205 1.00 0.00 H new ATOM 916 N VAL A 335 2.485 -1.519 -4.072 1.00 0.00 N ATOM 917 CA VAL A 335 1.084 -1.498 -3.569 1.00 0.00 C ATOM 918 C VAL A 335 0.176 -2.241 -4.551 1.00 0.00 C ATOM 919 O VAL A 335 -0.618 -3.068 -4.161 1.00 0.00 O ATOM 920 CB VAL A 335 0.726 -0.010 -3.461 1.00 0.00 C ATOM 921 CG1 VAL A 335 -0.779 0.208 -3.658 1.00 0.00 C ATOM 922 CG2 VAL A 335 1.121 0.492 -2.072 1.00 0.00 C ATOM 0 H VAL A 335 2.927 -0.605 -4.169 1.00 0.00 H new ATOM 0 HA VAL A 335 0.963 -1.995 -2.607 1.00 0.00 H new ATOM 0 HB VAL A 335 1.262 0.536 -4.237 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -1.006 1.271 -3.577 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -1.073 -0.152 -4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -1.329 -0.340 -2.893 1.00 0.00 H new ATOM 0 HG21 VAL A 335 0.871 1.549 -1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 335 0.580 -0.074 -1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 335 2.193 0.359 -1.928 1.00 0.00 H new ATOM 932 N LYS A 336 0.296 -1.973 -5.822 1.00 0.00 N ATOM 933 CA LYS A 336 -0.558 -2.697 -6.806 1.00 0.00 C ATOM 934 C LYS A 336 -0.279 -4.195 -6.694 1.00 0.00 C ATOM 935 O LYS A 336 -1.184 -5.004 -6.646 1.00 0.00 O ATOM 936 CB LYS A 336 -0.139 -2.164 -8.177 1.00 0.00 C ATOM 937 CG LYS A 336 -1.276 -2.379 -9.176 1.00 0.00 C ATOM 938 CD LYS A 336 -2.512 -1.604 -8.716 1.00 0.00 C ATOM 939 CE LYS A 336 -3.691 -2.567 -8.568 1.00 0.00 C ATOM 940 NZ LYS A 336 -4.103 -2.887 -9.963 1.00 0.00 N ATOM 0 H LYS A 336 0.942 -1.291 -6.219 1.00 0.00 H new ATOM 0 HA LYS A 336 -1.624 -2.546 -6.637 1.00 0.00 H new ATOM 0 HB2 LYS A 336 0.103 -1.104 -8.108 1.00 0.00 H new ATOM 0 HB3 LYS A 336 0.761 -2.675 -8.518 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -0.972 -2.044 -10.167 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -1.508 -3.441 -9.256 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -2.311 -1.109 -7.766 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -2.754 -0.823 -9.437 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -3.400 -3.467 -8.026 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -4.508 -2.109 -8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -5.100 -2.626 -10.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -3.511 -2.353 -10.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -3.985 -3.906 -10.135 1.00 0.00 H new ATOM 954 N HIS A 337 0.971 -4.571 -6.624 1.00 0.00 N ATOM 955 CA HIS A 337 1.297 -6.016 -6.481 1.00 0.00 C ATOM 956 C HIS A 337 0.821 -6.482 -5.107 1.00 0.00 C ATOM 957 O HIS A 337 0.369 -7.597 -4.931 1.00 0.00 O ATOM 958 CB HIS A 337 2.819 -6.099 -6.588 1.00 0.00 C ATOM 959 CG HIS A 337 3.201 -6.463 -7.997 1.00 0.00 C ATOM 960 ND1 HIS A 337 4.111 -7.468 -8.277 1.00 0.00 N ATOM 961 CD2 HIS A 337 2.804 -5.965 -9.213 1.00 0.00 C ATOM 962 CE1 HIS A 337 4.231 -7.546 -9.615 1.00 0.00 C ATOM 963 NE2 HIS A 337 3.456 -6.651 -10.234 1.00 0.00 N ATOM 0 H HIS A 337 1.774 -3.943 -6.660 1.00 0.00 H new ATOM 0 HA HIS A 337 0.820 -6.643 -7.234 1.00 0.00 H new ATOM 0 HB2 HIS A 337 3.267 -5.144 -6.313 1.00 0.00 H new ATOM 0 HB3 HIS A 337 3.204 -6.844 -5.891 1.00 0.00 H new ATOM 0 HD2 HIS A 337 2.094 -5.164 -9.356 1.00 0.00 H new ATOM 0 HE1 HIS A 337 4.875 -8.246 -10.126 1.00 0.00 H new ATOM 0 HE2 HIS A 337 3.362 -6.502 -11.239 1.00 0.00 H new ATOM 971 N PHE A 338 0.899 -5.612 -4.138 1.00 0.00 N ATOM 972 CA PHE A 338 0.433 -5.959 -2.768 1.00 0.00 C ATOM 973 C PHE A 338 -1.093 -6.044 -2.775 1.00 0.00 C ATOM 974 O PHE A 338 -1.688 -6.942 -2.212 1.00 0.00 O ATOM 975 CB PHE A 338 0.903 -4.795 -1.898 1.00 0.00 C ATOM 976 CG PHE A 338 0.185 -4.829 -0.576 1.00 0.00 C ATOM 977 CD1 PHE A 338 0.133 -6.013 0.167 1.00 0.00 C ATOM 978 CD2 PHE A 338 -0.426 -3.671 -0.092 1.00 0.00 C ATOM 979 CE1 PHE A 338 -0.532 -6.035 1.398 1.00 0.00 C ATOM 980 CE2 PHE A 338 -1.092 -3.690 1.138 1.00 0.00 C ATOM 981 CZ PHE A 338 -1.145 -4.876 1.886 1.00 0.00 C ATOM 0 H PHE A 338 1.269 -4.667 -4.239 1.00 0.00 H new ATOM 0 HA PHE A 338 0.816 -6.913 -2.407 1.00 0.00 H new ATOM 0 HB2 PHE A 338 1.980 -4.858 -1.740 1.00 0.00 H new ATOM 0 HB3 PHE A 338 0.710 -3.849 -2.404 1.00 0.00 H new ATOM 0 HD1 PHE A 338 0.605 -6.909 -0.209 1.00 0.00 H new ATOM 0 HD2 PHE A 338 -0.384 -2.759 -0.668 1.00 0.00 H new ATOM 0 HE1 PHE A 338 -0.572 -6.949 1.973 1.00 0.00 H new ATOM 0 HE2 PHE A 338 -1.565 -2.793 1.511 1.00 0.00 H new ATOM 0 HZ PHE A 338 -1.658 -4.894 2.836 1.00 0.00 H new ATOM 991 N GLN A 339 -1.723 -5.110 -3.433 1.00 0.00 N ATOM 992 CA GLN A 339 -3.208 -5.106 -3.519 1.00 0.00 C ATOM 993 C GLN A 339 -3.681 -6.308 -4.334 1.00 0.00 C ATOM 994 O GLN A 339 -4.655 -6.955 -4.003 1.00 0.00 O ATOM 995 CB GLN A 339 -3.547 -3.804 -4.241 1.00 0.00 C ATOM 996 CG GLN A 339 -4.225 -2.837 -3.267 1.00 0.00 C ATOM 997 CD GLN A 339 -4.957 -1.749 -4.056 1.00 0.00 C ATOM 998 OE1 GLN A 339 -4.575 -1.423 -5.162 1.00 0.00 O ATOM 999 NE2 GLN A 339 -6.002 -1.169 -3.531 1.00 0.00 N ATOM 0 H GLN A 339 -1.264 -4.340 -3.920 1.00 0.00 H new ATOM 0 HA GLN A 339 -3.688 -5.171 -2.543 1.00 0.00 H new ATOM 0 HB2 GLN A 339 -2.640 -3.353 -4.644 1.00 0.00 H new ATOM 0 HB3 GLN A 339 -4.205 -4.006 -5.086 1.00 0.00 H new ATOM 0 HG2 GLN A 339 -4.928 -3.376 -2.632 1.00 0.00 H new ATOM 0 HG3 GLN A 339 -3.482 -2.387 -2.609 1.00 0.00 H new ATOM 0 HE21 GLN A 339 -6.324 -1.442 -2.602 1.00 0.00 H new ATOM 0 HE22 GLN A 339 -6.497 -0.443 -4.049 1.00 0.00 H new