USER MOD reduce.3.24.130724 H: found=0, std=0, add=286, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 287 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 293 SER OG : rot 180:sc= -0.491 USER MOD Single : A 294 GLN : amide:sc= -0.145 X(o=-0.14,f=0) USER MOD Single : A 306 GLN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 307 TYR OH : rot 150:sc= 0 USER MOD Single : A 310 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 320 THR OG1 : rot -26:sc= 0.46 USER MOD Single : A 323 ASN : amide:sc= 0.688 K(o=0.69,f=-3.7!) 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= -2.47! K(o=-2.5!,f=-0.88) USER MOD Single : A 336 LYS NZ :NH3+ -96:sc= -0.138 (180deg=-0.963) USER MOD Single : A 337 HIS : no HD1:sc= -0.0195 X(o=-0.02,f=0) USER MOD Single : A 339 GLN : amide:sc= -0.495 X(o=-0.5,f=0) USER MOD ----------------------------------------------------------------- ATOM 133 N PRO A 287 10.732 2.294 -0.706 1.00 0.00 N ATOM 134 CA PRO A 287 10.073 1.082 -0.157 1.00 0.00 C ATOM 135 C PRO A 287 10.423 -0.147 -1.003 1.00 0.00 C ATOM 136 O PRO A 287 10.618 -0.053 -2.199 1.00 0.00 O ATOM 137 CB PRO A 287 8.587 1.405 -0.274 1.00 0.00 C ATOM 138 CG PRO A 287 8.494 2.405 -1.383 1.00 0.00 C ATOM 139 CD PRO A 287 9.789 3.172 -1.403 1.00 0.00 C ATOM 0 HA PRO A 287 10.381 0.851 0.863 1.00 0.00 H new ATOM 0 HB2 PRO A 287 8.005 0.511 -0.499 1.00 0.00 H new ATOM 0 HB3 PRO A 287 8.197 1.813 0.659 1.00 0.00 H new ATOM 0 HG2 PRO A 287 8.328 1.906 -2.338 1.00 0.00 H new ATOM 0 HG3 PRO A 287 7.651 3.078 -1.224 1.00 0.00 H new ATOM 0 HD2 PRO A 287 10.115 3.379 -2.422 1.00 0.00 H new ATOM 0 HD3 PRO A 287 9.691 4.133 -0.899 1.00 0.00 H new ATOM 147 N GLU A 288 10.498 -1.299 -0.393 1.00 0.00 N ATOM 148 CA GLU A 288 10.827 -2.530 -1.167 1.00 0.00 C ATOM 149 C GLU A 288 9.540 -3.215 -1.634 1.00 0.00 C ATOM 150 O GLU A 288 9.399 -3.580 -2.784 1.00 0.00 O ATOM 151 CB GLU A 288 11.582 -3.426 -0.185 1.00 0.00 C ATOM 152 CG GLU A 288 11.814 -4.800 -0.819 1.00 0.00 C ATOM 153 CD GLU A 288 13.090 -4.768 -1.661 1.00 0.00 C ATOM 154 OE1 GLU A 288 13.084 -4.109 -2.688 1.00 0.00 O ATOM 155 OE2 GLU A 288 14.054 -5.403 -1.265 1.00 0.00 O ATOM 0 H GLU A 288 10.346 -1.441 0.606 1.00 0.00 H new ATOM 0 HA GLU A 288 11.417 -2.314 -2.058 1.00 0.00 H new ATOM 0 HB2 GLU A 288 12.536 -2.970 0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 288 11.013 -3.532 0.738 1.00 0.00 H new ATOM 0 HG2 GLU A 288 11.898 -5.560 -0.043 1.00 0.00 H new ATOM 0 HG3 GLU A 288 10.962 -5.073 -1.442 1.00 0.00 H new ATOM 162 N ARG A 289 8.600 -3.387 -0.745 1.00 0.00 N ATOM 163 CA ARG A 289 7.318 -4.047 -1.127 1.00 0.00 C ATOM 164 C ARG A 289 6.335 -3.992 0.047 1.00 0.00 C ATOM 165 O ARG A 289 6.688 -3.606 1.144 1.00 0.00 O ATOM 166 CB ARG A 289 7.696 -5.493 -1.447 1.00 0.00 C ATOM 167 CG ARG A 289 8.042 -6.232 -0.154 1.00 0.00 C ATOM 168 CD ARG A 289 8.804 -7.516 -0.490 1.00 0.00 C ATOM 169 NE ARG A 289 7.758 -8.573 -0.581 1.00 0.00 N ATOM 170 CZ ARG A 289 8.099 -9.809 -0.825 1.00 0.00 C ATOM 171 NH1 ARG A 289 8.688 -10.518 0.099 1.00 0.00 N ATOM 172 NH2 ARG A 289 7.852 -10.336 -1.993 1.00 0.00 N ATOM 0 H ARG A 289 8.664 -3.099 0.231 1.00 0.00 H new ATOM 0 HA ARG A 289 6.834 -3.560 -1.973 1.00 0.00 H new ATOM 0 HB2 ARG A 289 6.869 -5.992 -1.953 1.00 0.00 H new ATOM 0 HB3 ARG A 289 8.546 -5.515 -2.129 1.00 0.00 H new ATOM 0 HG2 ARG A 289 8.647 -5.595 0.491 1.00 0.00 H new ATOM 0 HG3 ARG A 289 7.132 -6.470 0.397 1.00 0.00 H new ATOM 0 HD2 ARG A 289 9.348 -7.418 -1.429 1.00 0.00 H new ATOM 0 HD3 ARG A 289 9.538 -7.752 0.280 1.00 0.00 H new ATOM 0 HE ARG A 289 6.776 -8.331 -0.453 1.00 0.00 H new ATOM 0 HH11 ARG A 289 8.882 -10.106 1.012 1.00 0.00 H new ATOM 0 HH12 ARG A 289 8.954 -11.484 -0.092 1.00 0.00 H new ATOM 0 HH21 ARG A 289 7.392 -9.782 -2.716 1.00 0.00 H new ATOM 0 HH22 ARG A 289 8.119 -11.302 -2.183 1.00 0.00 H new ATOM 186 N ILE A 290 5.106 -4.375 -0.170 1.00 0.00 N ATOM 187 CA ILE A 290 4.115 -4.338 0.946 1.00 0.00 C ATOM 188 C ILE A 290 4.018 -5.709 1.618 1.00 0.00 C ATOM 189 O ILE A 290 4.236 -6.732 1.001 1.00 0.00 O ATOM 190 CB ILE A 290 2.770 -3.989 0.304 1.00 0.00 C ATOM 191 CG1 ILE A 290 2.961 -2.951 -0.806 1.00 0.00 C ATOM 192 CG2 ILE A 290 1.837 -3.417 1.373 1.00 0.00 C ATOM 193 CD1 ILE A 290 3.539 -1.669 -0.215 1.00 0.00 C ATOM 0 H ILE A 290 4.746 -4.710 -1.064 1.00 0.00 H new ATOM 0 HA ILE A 290 4.406 -3.614 1.707 1.00 0.00 H new ATOM 0 HB ILE A 290 2.338 -4.892 -0.128 1.00 0.00 H new ATOM 0 HG12 ILE A 290 3.629 -3.343 -1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 290 2.007 -2.742 -1.290 1.00 0.00 H new ATOM 0 HG21 ILE A 290 0.877 -3.166 0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 290 1.686 -4.158 2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 290 2.282 -2.519 1.802 1.00 0.00 H new ATOM 0 HD11 ILE A 290 3.674 -0.932 -1.007 1.00 0.00 H new ATOM 0 HD12 ILE A 290 2.855 -1.274 0.536 1.00 0.00 H new ATOM 0 HD13 ILE A 290 4.502 -1.884 0.249 1.00 0.00 H new ATOM 205 N ILE A 291 3.674 -5.733 2.874 1.00 0.00 N ATOM 206 CA ILE A 291 3.538 -7.036 3.590 1.00 0.00 C ATOM 207 C ILE A 291 2.126 -7.159 4.153 1.00 0.00 C ATOM 208 O ILE A 291 1.561 -8.234 4.222 1.00 0.00 O ATOM 209 CB ILE A 291 4.563 -7.026 4.734 1.00 0.00 C ATOM 210 CG1 ILE A 291 4.955 -5.587 5.117 1.00 0.00 C ATOM 211 CG2 ILE A 291 5.803 -7.797 4.295 1.00 0.00 C ATOM 212 CD1 ILE A 291 5.982 -5.037 4.121 1.00 0.00 C ATOM 0 H ILE A 291 3.480 -4.906 3.439 1.00 0.00 H new ATOM 0 HA ILE A 291 3.715 -7.878 2.921 1.00 0.00 H new ATOM 0 HB ILE A 291 4.116 -7.497 5.609 1.00 0.00 H new ATOM 0 HG12 ILE A 291 4.070 -4.951 5.127 1.00 0.00 H new ATOM 0 HG13 ILE A 291 5.370 -5.571 6.125 1.00 0.00 H new ATOM 0 HG21 ILE A 291 6.537 -7.795 5.101 1.00 0.00 H new ATOM 0 HG22 ILE A 291 5.527 -8.824 4.057 1.00 0.00 H new ATOM 0 HG23 ILE A 291 6.233 -7.323 3.412 1.00 0.00 H new ATOM 0 HD11 ILE A 291 6.252 -4.019 4.402 1.00 0.00 H new ATOM 0 HD12 ILE A 291 6.873 -5.665 4.133 1.00 0.00 H new ATOM 0 HD13 ILE A 291 5.553 -5.035 3.119 1.00 0.00 H new ATOM 224 N ASP A 292 1.553 -6.062 4.551 1.00 0.00 N ATOM 225 CA ASP A 292 0.178 -6.098 5.107 1.00 0.00 C ATOM 226 C ASP A 292 -0.458 -4.708 5.003 1.00 0.00 C ATOM 227 O ASP A 292 0.213 -3.733 4.734 1.00 0.00 O ATOM 228 CB ASP A 292 0.349 -6.506 6.570 1.00 0.00 C ATOM 229 CG ASP A 292 -1.009 -6.898 7.153 1.00 0.00 C ATOM 230 OD1 ASP A 292 -1.979 -6.869 6.414 1.00 0.00 O ATOM 231 OD2 ASP A 292 -1.057 -7.220 8.329 1.00 0.00 O ATOM 0 H ASP A 292 1.981 -5.137 4.515 1.00 0.00 H new ATOM 0 HA ASP A 292 -0.471 -6.790 4.571 1.00 0.00 H new ATOM 0 HB2 ASP A 292 1.044 -7.342 6.646 1.00 0.00 H new ATOM 0 HB3 ASP A 292 0.777 -5.682 7.141 1.00 0.00 H new ATOM 236 N SER A 293 -1.742 -4.604 5.213 1.00 0.00 N ATOM 237 CA SER A 293 -2.398 -3.267 5.122 1.00 0.00 C ATOM 238 C SER A 293 -3.152 -2.957 6.418 1.00 0.00 C ATOM 239 O SER A 293 -3.488 -3.842 7.179 1.00 0.00 O ATOM 240 CB SER A 293 -3.370 -3.374 3.948 1.00 0.00 C ATOM 241 OG SER A 293 -3.609 -4.745 3.657 1.00 0.00 O ATOM 0 H SER A 293 -2.362 -5.381 5.442 1.00 0.00 H new ATOM 0 HA SER A 293 -1.674 -2.465 4.976 1.00 0.00 H new ATOM 0 HB2 SER A 293 -4.307 -2.873 4.191 1.00 0.00 H new ATOM 0 HB3 SER A 293 -2.958 -2.872 3.073 1.00 0.00 H new ATOM 0 HG SER A 293 -4.234 -4.816 2.905 1.00 0.00 H new ATOM 247 N GLN A 294 -3.417 -1.706 6.676 1.00 0.00 N ATOM 248 CA GLN A 294 -4.148 -1.342 7.925 1.00 0.00 C ATOM 249 C GLN A 294 -5.125 -0.196 7.655 1.00 0.00 C ATOM 250 O GLN A 294 -4.781 0.965 7.761 1.00 0.00 O ATOM 251 CB GLN A 294 -3.059 -0.900 8.903 1.00 0.00 C ATOM 252 CG GLN A 294 -3.698 -0.529 10.242 1.00 0.00 C ATOM 253 CD GLN A 294 -3.393 -1.617 11.274 1.00 0.00 C ATOM 254 OE1 GLN A 294 -4.294 -2.219 11.822 1.00 0.00 O ATOM 255 NE2 GLN A 294 -2.151 -1.895 11.562 1.00 0.00 N ATOM 0 H GLN A 294 -3.160 -0.921 6.078 1.00 0.00 H new ATOM 0 HA GLN A 294 -4.737 -2.172 8.316 1.00 0.00 H new ATOM 0 HB2 GLN A 294 -2.334 -1.702 9.043 1.00 0.00 H new ATOM 0 HB3 GLN A 294 -2.516 -0.046 8.498 1.00 0.00 H new ATOM 0 HG2 GLN A 294 -3.314 0.431 10.586 1.00 0.00 H new ATOM 0 HG3 GLN A 294 -4.776 -0.417 10.124 1.00 0.00 H new ATOM 0 HE21 GLN A 294 -1.395 -1.389 11.101 1.00 0.00 H new ATOM 0 HE22 GLN A 294 -1.936 -2.619 12.248 1.00 0.00 H new ATOM 404 N LEU A 305 -6.073 4.987 5.850 1.00 0.00 N ATOM 405 CA LEU A 305 -5.521 3.698 5.347 1.00 0.00 C ATOM 406 C LEU A 305 -3.992 3.694 5.445 1.00 0.00 C ATOM 407 O LEU A 305 -3.349 4.717 5.315 1.00 0.00 O ATOM 408 CB LEU A 305 -5.967 3.625 3.887 1.00 0.00 C ATOM 409 CG LEU A 305 -5.175 2.537 3.166 1.00 0.00 C ATOM 410 CD1 LEU A 305 -5.432 1.187 3.834 1.00 0.00 C ATOM 411 CD2 LEU A 305 -5.616 2.473 1.701 1.00 0.00 C ATOM 0 HA LEU A 305 -5.872 2.845 5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 305 -7.034 3.410 3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 305 -5.810 4.587 3.399 1.00 0.00 H new ATOM 0 HG LEU A 305 -4.111 2.769 3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 305 -4.866 0.412 3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 305 -5.118 1.232 4.877 1.00 0.00 H new ATOM 0 HD13 LEU A 305 -6.495 0.953 3.785 1.00 0.00 H new ATOM 0 HD21 LEU A 305 -5.051 1.697 1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 305 -6.680 2.242 1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 305 -5.431 3.435 1.223 1.00 0.00 H new ATOM 423 N GLN A 306 -3.408 2.550 5.678 1.00 0.00 N ATOM 424 CA GLN A 306 -1.923 2.476 5.788 1.00 0.00 C ATOM 425 C GLN A 306 -1.417 1.127 5.270 1.00 0.00 C ATOM 426 O GLN A 306 -2.007 0.096 5.523 1.00 0.00 O ATOM 427 CB GLN A 306 -1.630 2.619 7.281 1.00 0.00 C ATOM 428 CG GLN A 306 -1.313 4.080 7.604 1.00 0.00 C ATOM 429 CD GLN A 306 -0.410 4.146 8.837 1.00 0.00 C ATOM 430 OE1 GLN A 306 -0.780 3.692 9.901 1.00 0.00 O ATOM 431 NE2 GLN A 306 0.770 4.696 8.738 1.00 0.00 N ATOM 0 H GLN A 306 -3.896 1.662 5.797 1.00 0.00 H new ATOM 0 HA GLN A 306 -1.428 3.247 5.198 1.00 0.00 H new ATOM 0 HB2 GLN A 306 -2.488 2.285 7.864 1.00 0.00 H new ATOM 0 HB3 GLN A 306 -0.789 1.984 7.559 1.00 0.00 H new ATOM 0 HG2 GLN A 306 -0.821 4.553 6.754 1.00 0.00 H new ATOM 0 HG3 GLN A 306 -2.235 4.632 7.786 1.00 0.00 H new ATOM 0 HE21 GLN A 306 1.082 5.078 7.845 1.00 0.00 H new ATOM 0 HE22 GLN A 306 1.380 4.744 9.554 1.00 0.00 H new ATOM 440 N TYR A 307 -0.330 1.128 4.548 1.00 0.00 N ATOM 441 CA TYR A 307 0.217 -0.154 4.014 1.00 0.00 C ATOM 442 C TYR A 307 1.555 -0.481 4.688 1.00 0.00 C ATOM 443 O TYR A 307 2.455 0.335 4.725 1.00 0.00 O ATOM 444 CB TYR A 307 0.437 0.101 2.522 1.00 0.00 C ATOM 445 CG TYR A 307 -0.787 -0.297 1.727 1.00 0.00 C ATOM 446 CD1 TYR A 307 -2.017 -0.503 2.365 1.00 0.00 C ATOM 447 CD2 TYR A 307 -0.685 -0.460 0.340 1.00 0.00 C ATOM 448 CE1 TYR A 307 -3.142 -0.871 1.615 1.00 0.00 C ATOM 449 CE2 TYR A 307 -1.808 -0.827 -0.409 1.00 0.00 C ATOM 450 CZ TYR A 307 -3.037 -1.034 0.228 1.00 0.00 C ATOM 451 OH TYR A 307 -4.145 -1.397 -0.511 1.00 0.00 O ATOM 0 H TYR A 307 0.204 1.962 4.304 1.00 0.00 H new ATOM 0 HA TYR A 307 -0.454 -0.993 4.198 1.00 0.00 H new ATOM 0 HB2 TYR A 307 0.658 1.156 2.357 1.00 0.00 H new ATOM 0 HB3 TYR A 307 1.302 -0.464 2.175 1.00 0.00 H new ATOM 0 HD1 TYR A 307 -2.098 -0.378 3.435 1.00 0.00 H new ATOM 0 HD2 TYR A 307 0.263 -0.302 -0.153 1.00 0.00 H new ATOM 0 HE1 TYR A 307 -4.090 -1.029 2.107 1.00 0.00 H new ATOM 0 HE2 TYR A 307 -1.727 -0.951 -1.479 1.00 0.00 H new ATOM 0 HH TYR A 307 -4.073 -1.022 -1.414 1.00 0.00 H new ATOM 461 N LEU A 308 1.701 -1.671 5.204 1.00 0.00 N ATOM 462 CA LEU A 308 2.993 -2.043 5.852 1.00 0.00 C ATOM 463 C LEU A 308 4.050 -2.274 4.770 1.00 0.00 C ATOM 464 O LEU A 308 3.920 -3.158 3.947 1.00 0.00 O ATOM 465 CB LEU A 308 2.704 -3.341 6.611 1.00 0.00 C ATOM 466 CG LEU A 308 3.894 -3.689 7.508 1.00 0.00 C ATOM 467 CD1 LEU A 308 4.008 -2.657 8.631 1.00 0.00 C ATOM 468 CD2 LEU A 308 3.684 -5.077 8.118 1.00 0.00 C ATOM 0 H LEU A 308 0.986 -2.399 5.206 1.00 0.00 H new ATOM 0 HA LEU A 308 3.369 -1.268 6.520 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.803 -3.228 7.213 1.00 0.00 H new ATOM 0 HB3 LEU A 308 2.518 -4.152 5.907 1.00 0.00 H new ATOM 0 HG LEU A 308 4.808 -3.684 6.914 1.00 0.00 H new ATOM 0 HD11 LEU A 308 4.856 -2.906 9.269 1.00 0.00 H new ATOM 0 HD12 LEU A 308 4.156 -1.666 8.201 1.00 0.00 H new ATOM 0 HD13 LEU A 308 3.094 -2.662 9.224 1.00 0.00 H new ATOM 0 HD21 LEU A 308 4.531 -5.326 8.757 1.00 0.00 H new ATOM 0 HD22 LEU A 308 2.769 -5.079 8.711 1.00 0.00 H new ATOM 0 HD23 LEU A 308 3.602 -5.816 7.321 1.00 0.00 H new ATOM 480 N VAL A 309 5.086 -1.482 4.749 1.00 0.00 N ATOM 481 CA VAL A 309 6.129 -1.662 3.697 1.00 0.00 C ATOM 482 C VAL A 309 7.486 -1.999 4.319 1.00 0.00 C ATOM 483 O VAL A 309 7.785 -1.617 5.432 1.00 0.00 O ATOM 484 CB VAL A 309 6.199 -0.320 2.974 1.00 0.00 C ATOM 485 CG1 VAL A 309 6.978 -0.491 1.670 1.00 0.00 C ATOM 486 CG2 VAL A 309 4.781 0.166 2.664 1.00 0.00 C ATOM 0 H VAL A 309 5.256 -0.723 5.409 1.00 0.00 H new ATOM 0 HA VAL A 309 5.883 -2.484 3.025 1.00 0.00 H new ATOM 0 HB VAL A 309 6.702 0.412 3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 309 7.031 0.465 1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 309 7.987 -0.840 1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 309 6.473 -1.221 1.037 1.00 0.00 H new ATOM 0 HG21 VAL A 309 4.830 1.125 2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 309 4.277 -0.563 2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 309 4.225 0.283 3.594 1.00 0.00 H new ATOM 496 N LYS A 310 8.313 -2.702 3.594 1.00 0.00 N ATOM 497 CA LYS A 310 9.659 -3.057 4.126 1.00 0.00 C ATOM 498 C LYS A 310 10.712 -2.126 3.521 1.00 0.00 C ATOM 499 O LYS A 310 11.233 -2.373 2.450 1.00 0.00 O ATOM 500 CB LYS A 310 9.894 -4.502 3.682 1.00 0.00 C ATOM 501 CG LYS A 310 10.552 -5.284 4.820 1.00 0.00 C ATOM 502 CD LYS A 310 11.230 -6.534 4.258 1.00 0.00 C ATOM 503 CE LYS A 310 10.654 -7.776 4.940 1.00 0.00 C ATOM 504 NZ LYS A 310 11.716 -8.812 4.811 1.00 0.00 N ATOM 0 H LYS A 310 8.114 -3.046 2.655 1.00 0.00 H new ATOM 0 HA LYS A 310 9.723 -2.955 5.209 1.00 0.00 H new ATOM 0 HB2 LYS A 310 8.948 -4.967 3.406 1.00 0.00 H new ATOM 0 HB3 LYS A 310 10.530 -4.523 2.797 1.00 0.00 H new ATOM 0 HG2 LYS A 310 11.285 -4.658 5.329 1.00 0.00 H new ATOM 0 HG3 LYS A 310 9.804 -5.566 5.561 1.00 0.00 H new ATOM 0 HD2 LYS A 310 11.074 -6.592 3.181 1.00 0.00 H new ATOM 0 HD3 LYS A 310 12.306 -6.482 4.422 1.00 0.00 H new ATOM 0 HE2 LYS A 310 10.419 -7.579 5.986 1.00 0.00 H new ATOM 0 HE3 LYS A 310 9.729 -8.097 4.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 310 11.395 -9.695 5.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 310 11.914 -8.983 3.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 310 12.582 -8.482 5.282 1.00 0.00 H new ATOM 681 N THR A 320 7.884 -0.883 8.368 1.00 0.00 N ATOM 682 CA THR A 320 6.956 -0.206 9.316 1.00 0.00 C ATOM 683 C THR A 320 5.599 0.030 8.647 1.00 0.00 C ATOM 684 O THR A 320 5.253 -0.616 7.679 1.00 0.00 O ATOM 685 CB THR A 320 7.633 1.125 9.649 1.00 0.00 C ATOM 686 OG1 THR A 320 8.034 1.764 8.446 1.00 0.00 O ATOM 687 CG2 THR A 320 8.859 0.870 10.527 1.00 0.00 C ATOM 0 HA THR A 320 6.769 -0.801 10.210 1.00 0.00 H new ATOM 0 HB THR A 320 6.933 1.766 10.185 1.00 0.00 H new ATOM 0 HG1 THR A 320 8.182 1.089 7.751 1.00 0.00 H new ATOM 0 HG21 THR A 320 9.341 1.819 10.764 1.00 0.00 H new ATOM 0 HG22 THR A 320 8.550 0.380 11.450 1.00 0.00 H new ATOM 0 HG23 THR A 320 9.562 0.230 9.994 1.00 0.00 H new ATOM 695 N TRP A 321 4.829 0.949 9.160 1.00 0.00 N ATOM 696 CA TRP A 321 3.493 1.223 8.559 1.00 0.00 C ATOM 697 C TRP A 321 3.459 2.625 7.943 1.00 0.00 C ATOM 698 O TRP A 321 3.925 3.584 8.523 1.00 0.00 O ATOM 699 CB TRP A 321 2.512 1.132 9.727 1.00 0.00 C ATOM 700 CG TRP A 321 2.024 -0.274 9.864 1.00 0.00 C ATOM 701 CD1 TRP A 321 2.326 -1.101 10.891 1.00 0.00 C ATOM 702 CD2 TRP A 321 1.156 -1.031 8.970 1.00 0.00 C ATOM 703 NE1 TRP A 321 1.695 -2.316 10.687 1.00 0.00 N ATOM 704 CE2 TRP A 321 0.964 -2.322 9.516 1.00 0.00 C ATOM 705 CE3 TRP A 321 0.523 -0.726 7.751 1.00 0.00 C ATOM 706 CZ2 TRP A 321 0.172 -3.277 8.876 1.00 0.00 C ATOM 707 CZ3 TRP A 321 -0.276 -1.686 7.105 1.00 0.00 C ATOM 708 CH2 TRP A 321 -0.450 -2.958 7.667 1.00 0.00 C ATOM 0 H TRP A 321 5.067 1.522 9.969 1.00 0.00 H new ATOM 0 HA TRP A 321 3.251 0.522 7.760 1.00 0.00 H new ATOM 0 HB2 TRP A 321 2.998 1.450 10.649 1.00 0.00 H new ATOM 0 HB3 TRP A 321 1.671 1.805 9.562 1.00 0.00 H new ATOM 0 HD1 TRP A 321 2.956 -0.854 11.732 1.00 0.00 H new ATOM 0 HE1 TRP A 321 1.762 -3.110 11.324 1.00 0.00 H new ATOM 0 HE3 TRP A 321 0.652 0.251 7.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 321 0.041 -4.256 9.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 321 -0.758 -1.442 6.170 1.00 0.00 H new ATOM 0 HH2 TRP A 321 -1.065 -3.691 7.166 1.00 0.00 H new ATOM 719 N GLU A 322 2.901 2.747 6.770 1.00 0.00 N ATOM 720 CA GLU A 322 2.823 4.082 6.111 1.00 0.00 C ATOM 721 C GLU A 322 1.490 4.217 5.374 1.00 0.00 C ATOM 722 O GLU A 322 0.833 3.239 5.086 1.00 0.00 O ATOM 723 CB GLU A 322 3.994 4.109 5.128 1.00 0.00 C ATOM 724 CG GLU A 322 5.232 4.676 5.827 1.00 0.00 C ATOM 725 CD GLU A 322 5.827 5.806 4.985 1.00 0.00 C ATOM 726 OE1 GLU A 322 5.151 6.266 4.081 1.00 0.00 O ATOM 727 OE2 GLU A 322 6.950 6.194 5.261 1.00 0.00 O ATOM 0 H GLU A 322 2.494 1.978 6.238 1.00 0.00 H new ATOM 0 HA GLU A 322 2.879 4.905 6.823 1.00 0.00 H new ATOM 0 HB2 GLU A 322 4.199 3.103 4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 322 3.741 4.719 4.261 1.00 0.00 H new ATOM 0 HG2 GLU A 322 4.965 5.048 6.816 1.00 0.00 H new ATOM 0 HG3 GLU A 322 5.972 3.889 5.972 1.00 0.00 H new ATOM 734 N ASN A 323 1.079 5.416 5.064 1.00 0.00 N ATOM 735 CA ASN A 323 -0.211 5.588 4.348 1.00 0.00 C ATOM 736 C ASN A 323 -0.189 4.792 3.046 1.00 0.00 C ATOM 737 O ASN A 323 0.744 4.883 2.271 1.00 0.00 O ATOM 738 CB ASN A 323 -0.309 7.086 4.060 1.00 0.00 C ATOM 739 CG ASN A 323 -0.106 7.874 5.355 1.00 0.00 C ATOM 740 OD1 ASN A 323 0.993 7.947 5.869 1.00 0.00 O ATOM 741 ND2 ASN A 323 -1.125 8.472 5.909 1.00 0.00 N ATOM 0 H ASN A 323 1.580 6.279 5.276 1.00 0.00 H new ATOM 0 HA ASN A 323 -1.062 5.232 4.929 1.00 0.00 H new ATOM 0 HB2 ASN A 323 0.443 7.375 3.325 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -1.282 7.320 3.629 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -0.999 9.000 6.773 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -2.048 8.411 5.478 1.00 0.00 H new ATOM 748 N ALA A 324 -1.209 4.026 2.787 1.00 0.00 N ATOM 749 CA ALA A 324 -1.236 3.248 1.520 1.00 0.00 C ATOM 750 C ALA A 324 -1.303 4.230 0.357 1.00 0.00 C ATOM 751 O ALA A 324 -1.046 3.891 -0.778 1.00 0.00 O ATOM 752 CB ALA A 324 -2.505 2.402 1.588 1.00 0.00 C ATOM 0 H ALA A 324 -2.020 3.905 3.393 1.00 0.00 H new ATOM 0 HA ALA A 324 -0.357 2.619 1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -2.590 1.800 0.683 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -2.459 1.746 2.457 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -3.374 3.055 1.672 1.00 0.00 H new ATOM 758 N THR A 325 -1.635 5.454 0.649 1.00 0.00 N ATOM 759 CA THR A 325 -1.712 6.485 -0.417 1.00 0.00 C ATOM 760 C THR A 325 -0.297 6.945 -0.771 1.00 0.00 C ATOM 761 O THR A 325 0.083 6.998 -1.923 1.00 0.00 O ATOM 762 CB THR A 325 -2.532 7.614 0.211 1.00 0.00 C ATOM 763 OG1 THR A 325 -3.915 7.354 0.021 1.00 0.00 O ATOM 764 CG2 THR A 325 -2.173 8.950 -0.433 1.00 0.00 C ATOM 0 H THR A 325 -1.858 5.786 1.587 1.00 0.00 H new ATOM 0 HA THR A 325 -2.167 6.130 -1.342 1.00 0.00 H new ATOM 0 HB THR A 325 -2.308 7.664 1.277 1.00 0.00 H new ATOM 0 HG1 THR A 325 -4.442 8.075 0.424 1.00 0.00 H new ATOM 0 HG21 THR A 325 -2.764 9.744 0.023 1.00 0.00 H new ATOM 0 HG22 THR A 325 -1.113 9.154 -0.282 1.00 0.00 H new ATOM 0 HG23 THR A 325 -2.386 8.908 -1.501 1.00 0.00 H new ATOM 772 N ASP A 326 0.490 7.256 0.218 1.00 0.00 N ATOM 773 CA ASP A 326 1.889 7.685 -0.057 1.00 0.00 C ATOM 774 C ASP A 326 2.632 6.537 -0.734 1.00 0.00 C ATOM 775 O ASP A 326 3.274 6.712 -1.749 1.00 0.00 O ATOM 776 CB ASP A 326 2.497 7.988 1.311 1.00 0.00 C ATOM 777 CG ASP A 326 2.466 9.496 1.565 1.00 0.00 C ATOM 778 OD1 ASP A 326 1.399 10.076 1.443 1.00 0.00 O ATOM 779 OD2 ASP A 326 3.510 10.046 1.879 1.00 0.00 O ATOM 0 H ASP A 326 0.227 7.232 1.203 1.00 0.00 H new ATOM 0 HA ASP A 326 1.945 8.553 -0.713 1.00 0.00 H new ATOM 0 HB2 ASP A 326 1.941 7.466 2.090 1.00 0.00 H new ATOM 0 HB3 ASP A 326 3.523 7.623 1.353 1.00 0.00 H new ATOM 784 N ILE A 327 2.534 5.357 -0.185 1.00 0.00 N ATOM 785 CA ILE A 327 3.223 4.192 -0.804 1.00 0.00 C ATOM 786 C ILE A 327 2.654 3.948 -2.203 1.00 0.00 C ATOM 787 O ILE A 327 3.334 3.458 -3.079 1.00 0.00 O ATOM 788 CB ILE A 327 2.935 3.012 0.124 1.00 0.00 C ATOM 789 CG1 ILE A 327 3.713 3.200 1.427 1.00 0.00 C ATOM 790 CG2 ILE A 327 3.381 1.708 -0.543 1.00 0.00 C ATOM 791 CD1 ILE A 327 5.184 3.463 1.100 1.00 0.00 C ATOM 0 H ILE A 327 2.007 5.151 0.664 1.00 0.00 H new ATOM 0 HA ILE A 327 4.296 4.348 -0.918 1.00 0.00 H new ATOM 0 HB ILE A 327 1.866 2.965 0.330 1.00 0.00 H new ATOM 0 HG12 ILE A 327 3.299 4.034 1.995 1.00 0.00 H new ATOM 0 HG13 ILE A 327 3.620 2.312 2.052 1.00 0.00 H new ATOM 0 HG21 ILE A 327 3.174 0.870 0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 327 2.837 1.573 -1.478 1.00 0.00 H new ATOM 0 HG23 ILE A 327 4.450 1.752 -0.749 1.00 0.00 H new ATOM 0 HD11 ILE A 327 5.744 3.598 2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 327 5.592 2.615 0.550 1.00 0.00 H new ATOM 0 HD13 ILE A 327 5.266 4.364 0.492 1.00 0.00 H new ATOM 803 N VAL A 328 1.419 4.305 -2.434 1.00 0.00 N ATOM 804 CA VAL A 328 0.850 4.111 -3.795 1.00 0.00 C ATOM 805 C VAL A 328 1.642 4.992 -4.761 1.00 0.00 C ATOM 806 O VAL A 328 2.013 4.583 -5.841 1.00 0.00 O ATOM 807 CB VAL A 328 -0.612 4.564 -3.692 1.00 0.00 C ATOM 808 CG1 VAL A 328 -1.108 5.071 -5.051 1.00 0.00 C ATOM 809 CG2 VAL A 328 -1.475 3.381 -3.256 1.00 0.00 C ATOM 0 H VAL A 328 0.788 4.717 -1.747 1.00 0.00 H new ATOM 0 HA VAL A 328 0.904 3.083 -4.154 1.00 0.00 H new ATOM 0 HB VAL A 328 -0.683 5.371 -2.962 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -2.147 5.389 -4.964 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -0.496 5.914 -5.370 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -1.035 4.270 -5.787 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -2.515 3.698 -3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -1.391 2.580 -3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -1.135 3.021 -2.285 1.00 0.00 H new ATOM 819 N LYS A 329 1.922 6.197 -4.352 1.00 0.00 N ATOM 820 CA LYS A 329 2.714 7.122 -5.212 1.00 0.00 C ATOM 821 C LYS A 329 4.205 6.822 -5.036 1.00 0.00 C ATOM 822 O LYS A 329 4.949 6.730 -5.992 1.00 0.00 O ATOM 823 CB LYS A 329 2.383 8.526 -4.702 1.00 0.00 C ATOM 824 CG LYS A 329 0.982 8.924 -5.172 1.00 0.00 C ATOM 825 CD LYS A 329 0.195 9.506 -3.997 1.00 0.00 C ATOM 826 CE LYS A 329 0.227 11.034 -4.069 1.00 0.00 C ATOM 827 NZ LYS A 329 -1.010 11.410 -4.807 1.00 0.00 N ATOM 0 H LYS A 329 1.635 6.584 -3.453 1.00 0.00 H new ATOM 0 HA LYS A 329 2.480 7.017 -6.271 1.00 0.00 H new ATOM 0 HB2 LYS A 329 2.433 8.550 -3.613 1.00 0.00 H new ATOM 0 HB3 LYS A 329 3.118 9.241 -5.071 1.00 0.00 H new ATOM 0 HG2 LYS A 329 1.051 9.657 -5.976 1.00 0.00 H new ATOM 0 HG3 LYS A 329 0.462 8.055 -5.577 1.00 0.00 H new ATOM 0 HD2 LYS A 329 -0.835 9.151 -4.024 1.00 0.00 H new ATOM 0 HD3 LYS A 329 0.624 9.167 -3.054 1.00 0.00 H new ATOM 0 HE2 LYS A 329 0.242 11.476 -3.073 1.00 0.00 H new ATOM 0 HE3 LYS A 329 1.119 11.386 -4.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 329 -1.060 12.445 -4.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 329 -0.993 10.981 -5.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 329 -1.843 11.068 -4.286 1.00 0.00 H new ATOM 841 N LEU A 330 4.641 6.650 -3.816 1.00 0.00 N ATOM 842 CA LEU A 330 6.075 6.335 -3.568 1.00 0.00 C ATOM 843 C LEU A 330 6.393 4.966 -4.163 1.00 0.00 C ATOM 844 O LEU A 330 7.469 4.722 -4.675 1.00 0.00 O ATOM 845 CB LEU A 330 6.202 6.293 -2.046 1.00 0.00 C ATOM 846 CG LEU A 330 7.492 6.991 -1.613 1.00 0.00 C ATOM 847 CD1 LEU A 330 7.254 8.499 -1.535 1.00 0.00 C ATOM 848 CD2 LEU A 330 7.908 6.472 -0.234 1.00 0.00 C ATOM 0 H LEU A 330 4.062 6.715 -2.979 1.00 0.00 H new ATOM 0 HA LEU A 330 6.757 7.059 -4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 330 5.342 6.781 -1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 330 6.204 5.259 -1.701 1.00 0.00 H new ATOM 0 HG LEU A 330 8.280 6.784 -2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 330 8.173 8.997 -1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 330 6.951 8.871 -2.514 1.00 0.00 H new ATOM 0 HD13 LEU A 330 6.468 8.706 -0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 330 8.827 6.967 0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 330 7.119 6.683 0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 330 8.074 5.396 -0.285 1.00 0.00 H new ATOM 860 N ALA A 331 5.447 4.074 -4.095 1.00 0.00 N ATOM 861 CA ALA A 331 5.642 2.708 -4.646 1.00 0.00 C ATOM 862 C ALA A 331 4.304 2.166 -5.154 1.00 0.00 C ATOM 863 O ALA A 331 3.681 1.345 -4.509 1.00 0.00 O ATOM 864 CB ALA A 331 6.146 1.871 -3.470 1.00 0.00 C ATOM 0 H ALA A 331 4.532 4.237 -3.674 1.00 0.00 H new ATOM 0 HA ALA A 331 6.341 2.690 -5.482 1.00 0.00 H new ATOM 0 HB1 ALA A 331 6.314 0.845 -3.799 1.00 0.00 H new ATOM 0 HB2 ALA A 331 7.081 2.291 -3.099 1.00 0.00 H new ATOM 0 HB3 ALA A 331 5.403 1.879 -2.673 1.00 0.00 H new ATOM 870 N PRO A 332 3.901 2.651 -6.298 1.00 0.00 N ATOM 871 CA PRO A 332 2.617 2.217 -6.903 1.00 0.00 C ATOM 872 C PRO A 332 2.721 0.763 -7.367 1.00 0.00 C ATOM 873 O PRO A 332 1.903 -0.069 -7.025 1.00 0.00 O ATOM 874 CB PRO A 332 2.444 3.160 -8.093 1.00 0.00 C ATOM 875 CG PRO A 332 3.830 3.606 -8.429 1.00 0.00 C ATOM 876 CD PRO A 332 4.599 3.634 -7.134 1.00 0.00 C ATOM 0 HA PRO A 332 1.776 2.259 -6.211 1.00 0.00 H new ATOM 0 HB2 PRO A 332 1.976 2.652 -8.936 1.00 0.00 H new ATOM 0 HB3 PRO A 332 1.807 4.007 -7.838 1.00 0.00 H new ATOM 0 HG2 PRO A 332 4.295 2.924 -9.141 1.00 0.00 H new ATOM 0 HG3 PRO A 332 3.818 4.592 -8.894 1.00 0.00 H new ATOM 0 HD2 PRO A 332 5.645 3.364 -7.282 1.00 0.00 H new ATOM 0 HD3 PRO A 332 4.587 4.626 -6.682 1.00 0.00 H new ATOM 884 N GLU A 333 3.724 0.452 -8.140 1.00 0.00 N ATOM 885 CA GLU A 333 3.887 -0.948 -8.622 1.00 0.00 C ATOM 886 C GLU A 333 3.815 -1.917 -7.442 1.00 0.00 C ATOM 887 O GLU A 333 3.166 -2.943 -7.508 1.00 0.00 O ATOM 888 CB GLU A 333 5.273 -0.985 -9.266 1.00 0.00 C ATOM 889 CG GLU A 333 5.134 -1.261 -10.765 1.00 0.00 C ATOM 890 CD GLU A 333 4.807 0.042 -11.498 1.00 0.00 C ATOM 891 OE1 GLU A 333 4.687 1.058 -10.833 1.00 0.00 O ATOM 892 OE2 GLU A 333 4.682 0.001 -12.710 1.00 0.00 O ATOM 0 H GLU A 333 4.438 1.107 -8.459 1.00 0.00 H new ATOM 0 HA GLU A 333 3.106 -1.241 -9.324 1.00 0.00 H new ATOM 0 HB2 GLU A 333 5.785 -0.036 -9.106 1.00 0.00 H new ATOM 0 HB3 GLU A 333 5.882 -1.758 -8.798 1.00 0.00 H new ATOM 0 HG2 GLU A 333 6.059 -1.687 -11.154 1.00 0.00 H new ATOM 0 HG3 GLU A 333 4.347 -1.995 -10.939 1.00 0.00 H new ATOM 899 N GLN A 334 4.471 -1.600 -6.360 1.00 0.00 N ATOM 900 CA GLN A 334 4.433 -2.503 -5.176 1.00 0.00 C ATOM 901 C GLN A 334 3.026 -2.516 -4.577 1.00 0.00 C ATOM 902 O GLN A 334 2.448 -3.560 -4.354 1.00 0.00 O ATOM 903 CB GLN A 334 5.434 -1.906 -4.186 1.00 0.00 C ATOM 904 CG GLN A 334 6.854 -2.073 -4.729 1.00 0.00 C ATOM 905 CD GLN A 334 7.092 -3.537 -5.101 1.00 0.00 C ATOM 906 OE1 GLN A 334 7.873 -3.833 -5.984 1.00 0.00 O ATOM 907 NE2 GLN A 334 6.447 -4.474 -4.461 1.00 0.00 N ATOM 0 H GLN A 334 5.031 -0.755 -6.245 1.00 0.00 H new ATOM 0 HA GLN A 334 4.683 -3.533 -5.431 1.00 0.00 H new ATOM 0 HB2 GLN A 334 5.217 -0.850 -4.026 1.00 0.00 H new ATOM 0 HB3 GLN A 334 5.343 -2.400 -3.219 1.00 0.00 H new ATOM 0 HG2 GLN A 334 6.997 -1.437 -5.603 1.00 0.00 H new ATOM 0 HG3 GLN A 334 7.580 -1.755 -3.981 1.00 0.00 H new ATOM 0 HE21 GLN A 334 5.791 -4.227 -3.720 1.00 0.00 H new ATOM 0 HE22 GLN A 334 6.599 -5.453 -4.702 1.00 0.00 H new ATOM 916 N VAL A 335 2.467 -1.365 -4.321 1.00 0.00 N ATOM 917 CA VAL A 335 1.095 -1.321 -3.746 1.00 0.00 C ATOM 918 C VAL A 335 0.127 -2.049 -4.684 1.00 0.00 C ATOM 919 O VAL A 335 -0.653 -2.875 -4.257 1.00 0.00 O ATOM 920 CB VAL A 335 0.768 0.175 -3.613 1.00 0.00 C ATOM 921 CG1 VAL A 335 -0.739 0.422 -3.744 1.00 0.00 C ATOM 922 CG2 VAL A 335 1.233 0.656 -2.238 1.00 0.00 C ATOM 0 H VAL A 335 2.900 -0.456 -4.485 1.00 0.00 H new ATOM 0 HA VAL A 335 1.013 -1.818 -2.779 1.00 0.00 H new ATOM 0 HB VAL A 335 1.278 0.719 -4.408 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -0.943 1.488 -3.646 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -1.081 0.075 -4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -1.266 -0.122 -2.960 1.00 0.00 H new ATOM 0 HG21 VAL A 335 1.008 1.717 -2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 335 0.715 0.093 -1.461 1.00 0.00 H new ATOM 0 HG23 VAL A 335 2.308 0.502 -2.143 1.00 0.00 H new ATOM 932 N LYS A 336 0.180 -1.773 -5.959 1.00 0.00 N ATOM 933 CA LYS A 336 -0.732 -2.491 -6.894 1.00 0.00 C ATOM 934 C LYS A 336 -0.448 -3.989 -6.795 1.00 0.00 C ATOM 935 O LYS A 336 -1.347 -4.794 -6.663 1.00 0.00 O ATOM 936 CB LYS A 336 -0.394 -1.962 -8.287 1.00 0.00 C ATOM 937 CG LYS A 336 -1.647 -2.005 -9.165 1.00 0.00 C ATOM 938 CD LYS A 336 -2.151 -3.445 -9.268 1.00 0.00 C ATOM 939 CE LYS A 336 -2.876 -3.636 -10.602 1.00 0.00 C ATOM 940 NZ LYS A 336 -1.803 -3.598 -11.635 1.00 0.00 N ATOM 0 H LYS A 336 0.806 -1.092 -6.389 1.00 0.00 H new ATOM 0 HA LYS A 336 -1.786 -2.333 -6.667 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -0.019 -0.941 -8.219 1.00 0.00 H new ATOM 0 HB3 LYS A 336 0.398 -2.563 -8.734 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -2.422 -1.367 -8.741 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -1.421 -1.616 -10.158 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -1.315 -4.141 -9.193 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -2.825 -3.666 -8.440 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -3.414 -4.584 -10.626 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -3.611 -2.848 -10.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -1.733 -2.637 -12.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -0.895 -3.862 -11.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -2.031 -4.268 -12.397 1.00 0.00 H new ATOM 954 N HIS A 337 0.805 -4.366 -6.820 1.00 0.00 N ATOM 955 CA HIS A 337 1.141 -5.809 -6.687 1.00 0.00 C ATOM 956 C HIS A 337 0.664 -6.280 -5.316 1.00 0.00 C ATOM 957 O HIS A 337 0.131 -7.361 -5.160 1.00 0.00 O ATOM 958 CB HIS A 337 2.666 -5.879 -6.780 1.00 0.00 C ATOM 959 CG HIS A 337 3.066 -6.291 -8.170 1.00 0.00 C ATOM 960 ND1 HIS A 337 4.083 -7.203 -8.406 1.00 0.00 N ATOM 961 CD2 HIS A 337 2.596 -5.924 -9.407 1.00 0.00 C ATOM 962 CE1 HIS A 337 4.191 -7.354 -9.738 1.00 0.00 C ATOM 963 NE2 HIS A 337 3.308 -6.597 -10.396 1.00 0.00 N ATOM 0 H HIS A 337 1.603 -3.739 -6.926 1.00 0.00 H new ATOM 0 HA HIS A 337 0.675 -6.435 -7.448 1.00 0.00 H new ATOM 0 HB2 HIS A 337 3.101 -4.909 -6.538 1.00 0.00 H new ATOM 0 HB3 HIS A 337 3.053 -6.592 -6.052 1.00 0.00 H new ATOM 0 HD2 HIS A 337 1.796 -5.221 -9.585 1.00 0.00 H new ATOM 0 HE1 HIS A 337 4.905 -8.008 -10.218 1.00 0.00 H new ATOM 0 HE2 HIS A 337 3.183 -6.527 -11.406 1.00 0.00 H new ATOM 971 N PHE A 338 0.833 -5.446 -4.328 1.00 0.00 N ATOM 972 CA PHE A 338 0.377 -5.794 -2.957 1.00 0.00 C ATOM 973 C PHE A 338 -1.152 -5.855 -2.945 1.00 0.00 C ATOM 974 O PHE A 338 -1.755 -6.660 -2.261 1.00 0.00 O ATOM 975 CB PHE A 338 0.877 -4.643 -2.086 1.00 0.00 C ATOM 976 CG PHE A 338 0.138 -4.638 -0.774 1.00 0.00 C ATOM 977 CD1 PHE A 338 0.012 -5.817 -0.032 1.00 0.00 C ATOM 978 CD2 PHE A 338 -0.416 -3.448 -0.300 1.00 0.00 C ATOM 979 CE1 PHE A 338 -0.673 -5.802 1.188 1.00 0.00 C ATOM 980 CE2 PHE A 338 -1.101 -3.430 0.918 1.00 0.00 C ATOM 981 CZ PHE A 338 -1.231 -4.608 1.664 1.00 0.00 C ATOM 0 H PHE A 338 1.272 -4.529 -4.415 1.00 0.00 H new ATOM 0 HA PHE A 338 0.748 -6.757 -2.607 1.00 0.00 H new ATOM 0 HB2 PHE A 338 1.948 -4.746 -1.910 1.00 0.00 H new ATOM 0 HB3 PHE A 338 0.729 -3.694 -2.601 1.00 0.00 H new ATOM 0 HD1 PHE A 338 0.442 -6.737 -0.400 1.00 0.00 H new ATOM 0 HD2 PHE A 338 -0.315 -2.540 -0.875 1.00 0.00 H new ATOM 0 HE1 PHE A 338 -0.772 -6.711 1.763 1.00 0.00 H new ATOM 0 HE2 PHE A 338 -1.530 -2.509 1.284 1.00 0.00 H new ATOM 0 HZ PHE A 338 -1.761 -4.596 2.605 1.00 0.00 H new ATOM 991 N GLN A 339 -1.773 -5.000 -3.710 1.00 0.00 N ATOM 992 CA GLN A 339 -3.260 -4.976 -3.773 1.00 0.00 C ATOM 993 C GLN A 339 -3.786 -6.250 -4.440 1.00 0.00 C ATOM 994 O GLN A 339 -4.738 -6.852 -3.985 1.00 0.00 O ATOM 995 CB GLN A 339 -3.583 -3.747 -4.622 1.00 0.00 C ATOM 996 CG GLN A 339 -4.054 -2.610 -3.712 1.00 0.00 C ATOM 997 CD GLN A 339 -4.499 -1.422 -4.566 1.00 0.00 C ATOM 998 OE1 GLN A 339 -5.640 -1.010 -4.504 1.00 0.00 O ATOM 999 NE2 GLN A 339 -3.642 -0.849 -5.365 1.00 0.00 N ATOM 0 H GLN A 339 -1.308 -4.310 -4.300 1.00 0.00 H new ATOM 0 HA GLN A 339 -3.722 -4.930 -2.787 1.00 0.00 H new ATOM 0 HB2 GLN A 339 -2.701 -3.437 -5.183 1.00 0.00 H new ATOM 0 HB3 GLN A 339 -4.356 -3.988 -5.351 1.00 0.00 H new ATOM 0 HG2 GLN A 339 -4.879 -2.950 -3.085 1.00 0.00 H new ATOM 0 HG3 GLN A 339 -3.248 -2.308 -3.043 1.00 0.00 H new ATOM 0 HE21 GLN A 339 -2.684 -1.195 -5.417 1.00 0.00 H new ATOM 0 HE22 GLN A 339 -3.930 -0.055 -5.937 1.00 0.00 H new