USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 496 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 341 CYS SG : rot -99:sc= 1.12 USER MOD Set 1.2: A 346 CYS SG : rot -95:sc= 2.02 USER MOD Set 1.3: A 348 THR OG1 : rot -140:sc= 1.09 USER MOD Set 1.4: A 385 CYS SG : rot -72:sc= -2.94! USER MOD Set 1.5: A 388 HIS : no HE2:sc= -0.725 K(o=0.57,f=-2.9!) USER MOD Set 2.1: A 371 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 376 THR OG1 : rot 103:sc= -4.23! USER MOD Set 3.1: A 327 CYS SG : rot 170:sc= 0.954 USER MOD Set 3.2: A 330 CYS SG : rot -53:sc= 0.132 USER MOD Set 3.3: A 332 GLN :FLIP amide:sc= 0 F(o=-5.8,f=-4.9) USER MOD Set 3.4: A 351 HIS : no HD1:sc= -2.74! C(o=-4.9!,f=-12!) USER MOD Set 3.5: A 354 CYS SG : rot -149:sc= -3.22! USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD Single : A 328 TYR OH : rot 130:sc= 0.529 USER MOD Single : A 331 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 333 LYS NZ :NH3+ -167:sc= -0.022 (180deg=-0.193) USER MOD Single : A 338 SER OG : rot 180:sc= 0 USER MOD Single : A 340 GLN : amide:sc= -0.453 K(o=-0.45,f=-1.2) USER MOD Single : A 342 HIS :FLIP no HE2:sc= -1.83 F(o=-2.7!,f=-1.8) USER MOD Single : A 343 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 345 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 347 TYR OH : rot 180:sc= 0 USER MOD Single : A 353 THR OG1 : rot 180:sc= 0 USER MOD Single : A 356 GLN : amide:sc= -0.403 X(o=-0.4,f=0) USER MOD Single : A 357 LYS NZ :NH3+ -160:sc= -0.0746 (180deg=-0.388) USER MOD Single : A 361 TYR OH : rot 180:sc= 0 USER MOD Single : A 362 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 363 LYS NZ :NH3+ -115:sc= 0.192 (180deg=0) USER MOD Single : A 364 MET CE :methyl -177:sc= 0 (180deg=-0.00892) USER MOD Single : A 368 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 375 THR OG1 : rot 180:sc= 0.00728 USER MOD Single : A 378 SER OG : rot 117:sc= 1.28 USER MOD Single : A 381 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 382 THR OG1 : rot 180:sc= 0 USER MOD Single : A 384 TYR OH : rot 50:sc= -0.998 USER MOD Single : A 389 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 159 N LEU A 325 -2.523 9.543 -8.172 1.00 0.00 N ATOM 160 CA LEU A 325 -1.967 8.227 -8.427 1.00 0.00 C ATOM 161 C LEU A 325 -3.087 7.197 -8.506 1.00 0.00 C ATOM 162 O LEU A 325 -3.805 6.963 -7.538 1.00 0.00 O ATOM 163 CB LEU A 325 -0.928 7.866 -7.353 1.00 0.00 C ATOM 164 CG LEU A 325 -1.350 8.098 -5.895 1.00 0.00 C ATOM 165 CD1 LEU A 325 -1.866 6.816 -5.262 1.00 0.00 C ATOM 166 CD2 LEU A 325 -0.186 8.652 -5.093 1.00 0.00 C ATOM 0 HA LEU A 325 -1.451 8.232 -9.387 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -0.665 6.815 -7.470 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -0.024 8.444 -7.544 1.00 0.00 H new ATOM 0 HG LEU A 325 -2.161 8.826 -5.889 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -2.157 7.011 -4.230 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -2.730 6.456 -5.821 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -1.081 6.060 -5.281 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -0.499 8.812 -4.061 1.00 0.00 H new ATOM 0 HD22 LEU A 325 0.642 7.943 -5.116 1.00 0.00 H new ATOM 0 HD23 LEU A 325 0.136 9.599 -5.526 1.00 0.00 H new ATOM 178 N THR A 326 -3.261 6.614 -9.675 1.00 0.00 N ATOM 179 CA THR A 326 -4.348 5.677 -9.890 1.00 0.00 C ATOM 180 C THR A 326 -3.891 4.244 -9.657 1.00 0.00 C ATOM 181 O THR A 326 -2.849 3.822 -10.155 1.00 0.00 O ATOM 182 CB THR A 326 -4.915 5.804 -11.314 1.00 0.00 C ATOM 183 OG1 THR A 326 -5.155 7.183 -11.615 1.00 0.00 O ATOM 184 CG2 THR A 326 -6.213 5.020 -11.463 1.00 0.00 C ATOM 0 H THR A 326 -2.667 6.771 -10.489 1.00 0.00 H new ATOM 0 HA THR A 326 -5.131 5.922 -9.172 1.00 0.00 H new ATOM 0 HB THR A 326 -4.183 5.392 -12.009 1.00 0.00 H new ATOM 0 HG1 THR A 326 -5.515 7.262 -12.523 1.00 0.00 H new ATOM 0 HG21 THR A 326 -6.589 5.129 -12.480 1.00 0.00 H new ATOM 0 HG22 THR A 326 -6.027 3.966 -11.256 1.00 0.00 H new ATOM 0 HG23 THR A 326 -6.952 5.403 -10.760 1.00 0.00 H new ATOM 192 N CYS A 327 -4.687 3.507 -8.901 1.00 0.00 N ATOM 193 CA CYS A 327 -4.419 2.105 -8.642 1.00 0.00 C ATOM 194 C CYS A 327 -4.875 1.276 -9.833 1.00 0.00 C ATOM 195 O CYS A 327 -6.075 1.093 -10.049 1.00 0.00 O ATOM 196 CB CYS A 327 -5.142 1.668 -7.366 1.00 0.00 C ATOM 197 SG CYS A 327 -5.059 -0.102 -6.987 1.00 0.00 S ATOM 0 H CYS A 327 -5.532 3.862 -8.453 1.00 0.00 H new ATOM 0 HA CYS A 327 -3.349 1.953 -8.499 1.00 0.00 H new ATOM 0 HB2 CYS A 327 -4.724 2.221 -6.525 1.00 0.00 H new ATOM 0 HB3 CYS A 327 -6.190 1.955 -7.447 1.00 0.00 H new ATOM 0 HG CYS A 327 -5.521 -0.312 -5.790 1.00 0.00 H new ATOM 202 N TYR A 328 -3.910 0.763 -10.588 1.00 0.00 N ATOM 203 CA TYR A 328 -4.187 0.109 -11.871 1.00 0.00 C ATOM 204 C TYR A 328 -4.877 -1.244 -11.693 1.00 0.00 C ATOM 205 O TYR A 328 -5.136 -1.948 -12.666 1.00 0.00 O ATOM 206 CB TYR A 328 -2.891 -0.058 -12.680 1.00 0.00 C ATOM 207 CG TYR A 328 -1.880 -1.016 -12.073 1.00 0.00 C ATOM 208 CD1 TYR A 328 -1.053 -0.623 -11.028 1.00 0.00 C ATOM 209 CD2 TYR A 328 -1.748 -2.315 -12.557 1.00 0.00 C ATOM 210 CE1 TYR A 328 -0.126 -1.493 -10.483 1.00 0.00 C ATOM 211 CE2 TYR A 328 -0.823 -3.191 -12.015 1.00 0.00 C ATOM 212 CZ TYR A 328 -0.016 -2.776 -10.978 1.00 0.00 C ATOM 213 OH TYR A 328 0.912 -3.646 -10.440 1.00 0.00 O ATOM 0 H TYR A 328 -2.922 0.786 -10.336 1.00 0.00 H new ATOM 0 HA TYR A 328 -4.872 0.755 -12.420 1.00 0.00 H new ATOM 0 HB2 TYR A 328 -3.146 -0.407 -13.680 1.00 0.00 H new ATOM 0 HB3 TYR A 328 -2.422 0.919 -12.794 1.00 0.00 H new ATOM 0 HD1 TYR A 328 -1.135 0.379 -10.634 1.00 0.00 H new ATOM 0 HD2 TYR A 328 -2.378 -2.645 -13.370 1.00 0.00 H new ATOM 0 HE1 TYR A 328 0.510 -1.169 -9.672 1.00 0.00 H new ATOM 0 HE2 TYR A 328 -0.734 -4.195 -12.403 1.00 0.00 H new ATOM 0 HH TYR A 328 0.476 -4.496 -10.222 1.00 0.00 H new ATOM 223 N LEU A 329 -5.182 -1.597 -10.456 1.00 0.00 N ATOM 224 CA LEU A 329 -5.854 -2.854 -10.175 1.00 0.00 C ATOM 225 C LEU A 329 -7.367 -2.659 -10.076 1.00 0.00 C ATOM 226 O LEU A 329 -8.120 -3.629 -10.091 1.00 0.00 O ATOM 227 CB LEU A 329 -5.319 -3.460 -8.873 1.00 0.00 C ATOM 228 CG LEU A 329 -4.646 -4.833 -9.007 1.00 0.00 C ATOM 229 CD1 LEU A 329 -5.626 -5.871 -9.536 1.00 0.00 C ATOM 230 CD2 LEU A 329 -3.421 -4.747 -9.904 1.00 0.00 C ATOM 0 H LEU A 329 -4.976 -1.032 -9.632 1.00 0.00 H new ATOM 0 HA LEU A 329 -5.650 -3.537 -11.000 1.00 0.00 H new ATOM 0 HB2 LEU A 329 -4.601 -2.765 -8.438 1.00 0.00 H new ATOM 0 HB3 LEU A 329 -6.145 -3.548 -8.168 1.00 0.00 H new ATOM 0 HG LEU A 329 -4.323 -5.147 -8.015 1.00 0.00 H new ATOM 0 HD11 LEU A 329 -5.124 -6.835 -9.622 1.00 0.00 H new ATOM 0 HD12 LEU A 329 -6.468 -5.960 -8.849 1.00 0.00 H new ATOM 0 HD13 LEU A 329 -5.989 -5.562 -10.516 1.00 0.00 H new ATOM 0 HD21 LEU A 329 -2.960 -5.731 -9.985 1.00 0.00 H new ATOM 0 HD22 LEU A 329 -3.719 -4.403 -10.895 1.00 0.00 H new ATOM 0 HD23 LEU A 329 -2.705 -4.045 -9.476 1.00 0.00 H new ATOM 242 N CYS A 330 -7.814 -1.406 -9.967 1.00 0.00 N ATOM 243 CA CYS A 330 -9.248 -1.141 -9.793 1.00 0.00 C ATOM 244 C CYS A 330 -9.707 0.225 -10.319 1.00 0.00 C ATOM 245 O CYS A 330 -10.899 0.526 -10.248 1.00 0.00 O ATOM 246 CB CYS A 330 -9.615 -1.263 -8.317 1.00 0.00 C ATOM 247 SG CYS A 330 -8.612 -0.229 -7.220 1.00 0.00 S ATOM 0 H CYS A 330 -7.222 -0.576 -9.995 1.00 0.00 H new ATOM 0 HA CYS A 330 -9.766 -1.889 -10.393 1.00 0.00 H new ATOM 0 HB2 CYS A 330 -10.664 -0.997 -8.191 1.00 0.00 H new ATOM 0 HB3 CYS A 330 -9.512 -2.304 -8.012 1.00 0.00 H new ATOM 0 HG CYS A 330 -7.351 -0.454 -7.444 1.00 0.00 H new ATOM 252 N LYS A 331 -8.777 1.061 -10.802 1.00 0.00 N ATOM 253 CA LYS A 331 -9.118 2.357 -11.389 1.00 0.00 C ATOM 254 C LYS A 331 -9.541 3.316 -10.293 1.00 0.00 C ATOM 255 O LYS A 331 -10.301 4.254 -10.523 1.00 0.00 O ATOM 256 CB LYS A 331 -10.236 2.227 -12.437 1.00 0.00 C ATOM 257 CG LYS A 331 -9.904 1.302 -13.597 1.00 0.00 C ATOM 258 CD LYS A 331 -8.768 1.846 -14.446 1.00 0.00 C ATOM 259 CE LYS A 331 -8.525 0.972 -15.665 1.00 0.00 C ATOM 260 NZ LYS A 331 -7.471 1.529 -16.551 1.00 0.00 N ATOM 0 H LYS A 331 -7.778 0.857 -10.796 1.00 0.00 H new ATOM 0 HA LYS A 331 -8.234 2.744 -11.895 1.00 0.00 H new ATOM 0 HB2 LYS A 331 -11.138 1.864 -11.945 1.00 0.00 H new ATOM 0 HB3 LYS A 331 -10.465 3.217 -12.831 1.00 0.00 H new ATOM 0 HG2 LYS A 331 -9.631 0.320 -13.212 1.00 0.00 H new ATOM 0 HG3 LYS A 331 -10.789 1.166 -14.218 1.00 0.00 H new ATOM 0 HD2 LYS A 331 -9.003 2.862 -14.765 1.00 0.00 H new ATOM 0 HD3 LYS A 331 -7.858 1.902 -13.848 1.00 0.00 H new ATOM 0 HE2 LYS A 331 -8.235 -0.028 -15.342 1.00 0.00 H new ATOM 0 HE3 LYS A 331 -9.453 0.869 -16.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 -7.338 0.901 -17.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 -7.758 2.472 -16.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 -6.578 1.604 -16.023 1.00 0.00 H new ATOM 274 N GLN A 332 -9.019 3.085 -9.097 1.00 0.00 N ATOM 275 CA GLN A 332 -9.398 3.862 -7.946 1.00 0.00 C ATOM 276 C GLN A 332 -8.163 4.333 -7.197 1.00 0.00 C ATOM 277 O GLN A 332 -7.405 3.525 -6.662 1.00 0.00 O ATOM 278 CB GLN A 332 -10.316 3.058 -7.021 1.00 0.00 C ATOM 279 CG GLN A 332 -11.611 2.627 -7.689 1.00 0.00 C ATOM 280 CD GLN A 332 -12.539 1.860 -6.767 1.00 0.00 C ATOM 281 OE1 GLN A 332 -11.974 1.141 -5.813 1.00 0.00 O flip ATOM 282 NE2 GLN A 332 -13.761 1.912 -6.919 1.00 0.00 N flip ATOM 0 H GLN A 332 -8.328 2.359 -8.907 1.00 0.00 H new ATOM 0 HA GLN A 332 -9.950 4.736 -8.291 1.00 0.00 H new ATOM 0 HB2 GLN A 332 -9.784 2.174 -6.671 1.00 0.00 H new ATOM 0 HB3 GLN A 332 -10.551 3.658 -6.142 1.00 0.00 H new ATOM 0 HG2 GLN A 332 -12.130 3.510 -8.062 1.00 0.00 H new ATOM 0 HG3 GLN A 332 -11.376 2.006 -8.554 1.00 0.00 H new ATOM 0 HE21 GLN A 332 -14.158 2.479 -7.668 1.00 0.00 H new ATOM 0 HE22 GLN A 332 -14.375 1.388 -6.296 1.00 0.00 H new ATOM 291 N LYS A 333 -7.969 5.638 -7.206 1.00 0.00 N ATOM 292 CA LYS A 333 -6.834 6.292 -6.549 1.00 0.00 C ATOM 293 C LYS A 333 -6.725 5.926 -5.064 1.00 0.00 C ATOM 294 O LYS A 333 -5.870 5.128 -4.670 1.00 0.00 O ATOM 295 CB LYS A 333 -6.962 7.816 -6.706 1.00 0.00 C ATOM 296 CG LYS A 333 -5.917 8.623 -5.943 1.00 0.00 C ATOM 297 CD LYS A 333 -6.121 10.118 -6.141 1.00 0.00 C ATOM 298 CE LYS A 333 -5.147 10.940 -5.311 1.00 0.00 C ATOM 299 NZ LYS A 333 -5.343 10.742 -3.850 1.00 0.00 N ATOM 0 H LYS A 333 -8.599 6.290 -7.674 1.00 0.00 H new ATOM 0 HA LYS A 333 -5.924 5.938 -7.033 1.00 0.00 H new ATOM 0 HB2 LYS A 333 -6.893 8.066 -7.765 1.00 0.00 H new ATOM 0 HB3 LYS A 333 -7.953 8.121 -6.370 1.00 0.00 H new ATOM 0 HG2 LYS A 333 -5.973 8.383 -4.881 1.00 0.00 H new ATOM 0 HG3 LYS A 333 -4.919 8.342 -6.281 1.00 0.00 H new ATOM 0 HD2 LYS A 333 -5.997 10.364 -7.195 1.00 0.00 H new ATOM 0 HD3 LYS A 333 -7.143 10.384 -5.870 1.00 0.00 H new ATOM 0 HE2 LYS A 333 -4.126 10.668 -5.578 1.00 0.00 H new ATOM 0 HE3 LYS A 333 -5.269 11.996 -5.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 333 -4.820 11.473 -3.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 333 -6.356 10.812 -3.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 333 -4.991 9.802 -3.577 1.00 0.00 H new ATOM 313 N GLY A 334 -7.602 6.489 -4.246 1.00 0.00 N ATOM 314 CA GLY A 334 -7.461 6.345 -2.812 1.00 0.00 C ATOM 315 C GLY A 334 -8.536 5.490 -2.183 1.00 0.00 C ATOM 316 O GLY A 334 -9.710 5.607 -2.521 1.00 0.00 O ATOM 0 H GLY A 334 -8.405 7.041 -4.548 1.00 0.00 H new ATOM 0 HA2 GLY A 334 -6.486 5.909 -2.593 1.00 0.00 H new ATOM 0 HA3 GLY A 334 -7.479 7.333 -2.352 1.00 0.00 H new ATOM 320 N VAL A 335 -8.120 4.614 -1.278 1.00 0.00 N ATOM 321 CA VAL A 335 -9.055 3.800 -0.502 1.00 0.00 C ATOM 322 C VAL A 335 -8.621 3.724 0.964 1.00 0.00 C ATOM 323 O VAL A 335 -9.461 3.637 1.858 1.00 0.00 O ATOM 324 CB VAL A 335 -9.202 2.360 -1.055 1.00 0.00 C ATOM 325 CG1 VAL A 335 -9.695 2.370 -2.494 1.00 0.00 C ATOM 326 CG2 VAL A 335 -7.896 1.594 -0.934 1.00 0.00 C ATOM 0 H VAL A 335 -7.138 4.446 -1.060 1.00 0.00 H new ATOM 0 HA VAL A 335 -10.023 4.294 -0.584 1.00 0.00 H new ATOM 0 HB VAL A 335 -9.950 1.848 -0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -9.788 1.345 -2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -10.667 2.861 -2.542 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -8.984 2.911 -3.119 1.00 0.00 H new ATOM 0 HG21 VAL A 335 -8.027 0.587 -1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 335 -7.119 2.108 -1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 335 -7.603 1.537 0.114 1.00 0.00 H new ATOM 336 N GLY A 336 -7.308 3.757 1.203 1.00 0.00 N ATOM 337 CA GLY A 336 -6.794 3.670 2.554 1.00 0.00 C ATOM 338 C GLY A 336 -5.287 3.476 2.588 1.00 0.00 C ATOM 339 O GLY A 336 -4.584 4.192 3.296 1.00 0.00 O ATOM 0 H GLY A 336 -6.594 3.843 0.480 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -7.053 4.578 3.098 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -7.276 2.840 3.071 1.00 0.00 H new ATOM 343 N ALA A 337 -4.781 2.529 1.802 1.00 0.00 N ATOM 344 CA ALA A 337 -3.356 2.212 1.822 1.00 0.00 C ATOM 345 C ALA A 337 -2.809 2.082 0.408 1.00 0.00 C ATOM 346 O ALA A 337 -3.323 1.299 -0.395 1.00 0.00 O ATOM 347 CB ALA A 337 -3.113 0.931 2.602 1.00 0.00 C ATOM 0 H ALA A 337 -5.331 1.972 1.148 1.00 0.00 H new ATOM 0 HA ALA A 337 -2.831 3.030 2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 337 -2.046 0.706 2.609 1.00 0.00 H new ATOM 0 HB2 ALA A 337 -3.464 1.056 3.626 1.00 0.00 H new ATOM 0 HB3 ALA A 337 -3.654 0.110 2.131 1.00 0.00 H new ATOM 353 N SER A 338 -1.770 2.847 0.111 1.00 0.00 N ATOM 354 CA SER A 338 -1.176 2.863 -1.215 1.00 0.00 C ATOM 355 C SER A 338 0.246 2.306 -1.188 1.00 0.00 C ATOM 356 O SER A 338 0.896 2.277 -0.141 1.00 0.00 O ATOM 357 CB SER A 338 -1.166 4.295 -1.749 1.00 0.00 C ATOM 358 OG SER A 338 -0.575 5.178 -0.810 1.00 0.00 O ATOM 0 H SER A 338 -1.317 3.471 0.779 1.00 0.00 H new ATOM 0 HA SER A 338 -1.773 2.229 -1.871 1.00 0.00 H new ATOM 0 HB2 SER A 338 -0.615 4.334 -2.689 1.00 0.00 H new ATOM 0 HB3 SER A 338 -2.186 4.615 -1.964 1.00 0.00 H new ATOM 0 HG SER A 338 -0.577 6.089 -1.171 1.00 0.00 H new ATOM 364 N ILE A 339 0.709 1.853 -2.342 1.00 0.00 N ATOM 365 CA ILE A 339 2.070 1.375 -2.504 1.00 0.00 C ATOM 366 C ILE A 339 2.484 1.573 -3.964 1.00 0.00 C ATOM 367 O ILE A 339 1.684 1.352 -4.878 1.00 0.00 O ATOM 368 CB ILE A 339 2.195 -0.115 -2.057 1.00 0.00 C ATOM 369 CG1 ILE A 339 3.666 -0.570 -1.964 1.00 0.00 C ATOM 370 CG2 ILE A 339 1.401 -1.031 -2.978 1.00 0.00 C ATOM 371 CD1 ILE A 339 4.300 -0.962 -3.286 1.00 0.00 C ATOM 0 H ILE A 339 0.149 1.807 -3.194 1.00 0.00 H new ATOM 0 HA ILE A 339 2.745 1.945 -1.865 1.00 0.00 H new ATOM 0 HB ILE A 339 1.771 -0.185 -1.055 1.00 0.00 H new ATOM 0 HG12 ILE A 339 4.253 0.235 -1.521 1.00 0.00 H new ATOM 0 HG13 ILE A 339 3.726 -1.419 -1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 339 1.506 -2.063 -2.643 1.00 0.00 H new ATOM 0 HG22 ILE A 339 0.349 -0.747 -2.955 1.00 0.00 H new ATOM 0 HG23 ILE A 339 1.779 -0.940 -3.996 1.00 0.00 H new ATOM 0 HD11 ILE A 339 5.333 -1.267 -3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 339 3.744 -1.791 -3.725 1.00 0.00 H new ATOM 0 HD13 ILE A 339 4.279 -0.111 -3.966 1.00 0.00 H new ATOM 383 N GLN A 340 3.707 2.034 -4.180 1.00 0.00 N ATOM 384 CA GLN A 340 4.180 2.329 -5.521 1.00 0.00 C ATOM 385 C GLN A 340 5.371 1.462 -5.883 1.00 0.00 C ATOM 386 O GLN A 340 6.316 1.322 -5.106 1.00 0.00 O ATOM 387 CB GLN A 340 4.585 3.797 -5.657 1.00 0.00 C ATOM 388 CG GLN A 340 3.430 4.776 -5.533 1.00 0.00 C ATOM 389 CD GLN A 340 3.822 6.169 -5.862 1.00 0.00 C ATOM 390 OE1 GLN A 340 4.781 6.416 -6.592 1.00 0.00 O ATOM 391 NE2 GLN A 340 3.037 7.090 -5.387 1.00 0.00 N ATOM 0 H GLN A 340 4.389 2.211 -3.442 1.00 0.00 H new ATOM 0 HA GLN A 340 3.354 2.118 -6.200 1.00 0.00 H new ATOM 0 HB2 GLN A 340 5.327 4.030 -4.893 1.00 0.00 H new ATOM 0 HB3 GLN A 340 5.067 3.941 -6.624 1.00 0.00 H new ATOM 0 HG2 GLN A 340 2.622 4.464 -6.195 1.00 0.00 H new ATOM 0 HG3 GLN A 340 3.039 4.743 -4.516 1.00 0.00 H new ATOM 0 HE21 GLN A 340 2.255 6.833 -4.785 1.00 0.00 H new ATOM 0 HE22 GLN A 340 3.204 8.070 -5.616 1.00 0.00 H new ATOM 400 N CYS A 341 5.308 0.876 -7.062 1.00 0.00 N ATOM 401 CA CYS A 341 6.448 0.182 -7.638 1.00 0.00 C ATOM 402 C CYS A 341 7.537 1.188 -7.963 1.00 0.00 C ATOM 403 O CYS A 341 7.245 2.332 -8.319 1.00 0.00 O ATOM 404 CB CYS A 341 6.050 -0.559 -8.913 1.00 0.00 C ATOM 405 SG CYS A 341 7.455 -1.197 -9.872 1.00 0.00 S ATOM 0 H CYS A 341 4.472 0.866 -7.646 1.00 0.00 H new ATOM 0 HA CYS A 341 6.812 -0.546 -6.913 1.00 0.00 H new ATOM 0 HB2 CYS A 341 5.398 -1.391 -8.648 1.00 0.00 H new ATOM 0 HB3 CYS A 341 5.469 0.113 -9.544 1.00 0.00 H new ATOM 0 HG CYS A 341 7.712 -0.388 -10.856 1.00 0.00 H new ATOM 410 N HIS A 342 8.787 0.757 -7.881 1.00 0.00 N ATOM 411 CA HIS A 342 9.898 1.688 -8.102 1.00 0.00 C ATOM 412 C HIS A 342 11.254 0.998 -8.264 1.00 0.00 C ATOM 413 O HIS A 342 11.826 1.030 -9.353 1.00 0.00 O ATOM 414 CB HIS A 342 9.965 2.774 -6.997 1.00 0.00 C ATOM 415 CG HIS A 342 10.166 2.269 -5.590 1.00 0.00 C ATOM 416 ND1 HIS A 342 9.315 1.660 -4.730 1.00 0.00 N flip ATOM 417 CD2 HIS A 342 11.359 2.397 -4.911 1.00 0.00 C flip ATOM 418 CE1 HIS A 342 10.003 1.435 -3.563 1.00 0.00 C flip ATOM 419 NE2 HIS A 342 11.234 1.889 -3.699 1.00 0.00 N flip ATOM 0 H HIS A 342 9.060 -0.203 -7.669 1.00 0.00 H new ATOM 0 HA HIS A 342 9.682 2.173 -9.054 1.00 0.00 H new ATOM 0 HB2 HIS A 342 10.778 3.459 -7.236 1.00 0.00 H new ATOM 0 HB3 HIS A 342 9.042 3.353 -7.027 1.00 0.00 H new ATOM 0 HD1 HIS A 342 8.343 1.414 -4.915 1.00 0.00 H new ATOM 0 HD2 HIS A 342 12.258 2.844 -5.309 1.00 0.00 H new ATOM 0 HE1 HIS A 342 9.602 0.963 -2.678 1.00 0.00 H new ATOM 428 N LYS A 343 11.746 0.365 -7.200 1.00 0.00 N ATOM 429 CA LYS A 343 13.151 -0.056 -7.109 1.00 0.00 C ATOM 430 C LYS A 343 14.045 1.186 -7.056 1.00 0.00 C ATOM 431 O LYS A 343 14.546 1.545 -5.994 1.00 0.00 O ATOM 432 CB LYS A 343 13.568 -0.981 -8.270 1.00 0.00 C ATOM 433 CG LYS A 343 15.058 -1.311 -8.288 1.00 0.00 C ATOM 434 CD LYS A 343 15.512 -1.946 -6.982 1.00 0.00 C ATOM 435 CE LYS A 343 17.030 -2.040 -6.904 1.00 0.00 C ATOM 436 NZ LYS A 343 17.597 -2.979 -7.909 1.00 0.00 N ATOM 0 H LYS A 343 11.189 0.129 -6.379 1.00 0.00 H new ATOM 0 HA LYS A 343 13.270 -0.639 -6.196 1.00 0.00 H new ATOM 0 HB2 LYS A 343 13.000 -1.909 -8.205 1.00 0.00 H new ATOM 0 HB3 LYS A 343 13.298 -0.508 -9.214 1.00 0.00 H new ATOM 0 HG2 LYS A 343 15.270 -1.989 -9.115 1.00 0.00 H new ATOM 0 HG3 LYS A 343 15.630 -0.401 -8.468 1.00 0.00 H new ATOM 0 HD2 LYS A 343 15.139 -1.359 -6.142 1.00 0.00 H new ATOM 0 HD3 LYS A 343 15.080 -2.943 -6.891 1.00 0.00 H new ATOM 0 HE2 LYS A 343 17.460 -1.050 -7.054 1.00 0.00 H new ATOM 0 HE3 LYS A 343 17.319 -2.365 -5.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 343 18.632 -3.006 -7.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 343 17.210 -3.931 -7.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 343 17.346 -2.657 -8.865 1.00 0.00 H new ATOM 450 N ALA A 344 14.210 1.840 -8.199 1.00 0.00 N ATOM 451 CA ALA A 344 14.916 3.113 -8.269 1.00 0.00 C ATOM 452 C ALA A 344 13.952 4.209 -8.712 1.00 0.00 C ATOM 453 O ALA A 344 13.952 5.317 -8.176 1.00 0.00 O ATOM 454 CB ALA A 344 16.098 3.016 -9.225 1.00 0.00 C ATOM 0 H ALA A 344 13.861 1.506 -9.097 1.00 0.00 H new ATOM 0 HA ALA A 344 15.303 3.361 -7.281 1.00 0.00 H new ATOM 0 HB1 ALA A 344 16.613 3.976 -9.265 1.00 0.00 H new ATOM 0 HB2 ALA A 344 16.787 2.248 -8.874 1.00 0.00 H new ATOM 0 HB3 ALA A 344 15.740 2.755 -10.221 1.00 0.00 H new ATOM 460 N ASN A 345 13.124 3.876 -9.697 1.00 0.00 N ATOM 461 CA ASN A 345 12.080 4.770 -10.184 1.00 0.00 C ATOM 462 C ASN A 345 11.138 4.001 -11.101 1.00 0.00 C ATOM 463 O ASN A 345 11.565 3.094 -11.817 1.00 0.00 O ATOM 464 CB ASN A 345 12.675 5.981 -10.923 1.00 0.00 C ATOM 465 CG ASN A 345 13.517 5.600 -12.129 1.00 0.00 C ATOM 466 OD1 ASN A 345 13.009 5.476 -13.244 1.00 0.00 O ATOM 467 ND2 ASN A 345 14.815 5.431 -11.922 1.00 0.00 N ATOM 0 H ASN A 345 13.158 2.978 -10.180 1.00 0.00 H new ATOM 0 HA ASN A 345 11.525 5.149 -9.326 1.00 0.00 H new ATOM 0 HB2 ASN A 345 11.864 6.633 -11.247 1.00 0.00 H new ATOM 0 HB3 ASN A 345 13.288 6.555 -10.228 1.00 0.00 H new ATOM 0 HD21 ASN A 345 15.428 5.190 -12.700 1.00 0.00 H new ATOM 0 HD22 ASN A 345 15.201 5.542 -10.984 1.00 0.00 H new ATOM 474 N CYS A 346 9.856 4.338 -11.042 1.00 0.00 N ATOM 475 CA CYS A 346 8.842 3.665 -11.848 1.00 0.00 C ATOM 476 C CYS A 346 7.495 4.363 -11.681 1.00 0.00 C ATOM 477 O CYS A 346 6.780 4.598 -12.656 1.00 0.00 O ATOM 478 CB CYS A 346 8.730 2.192 -11.431 1.00 0.00 C ATOM 479 SG CYS A 346 7.731 1.161 -12.536 1.00 0.00 S ATOM 0 H CYS A 346 9.491 5.077 -10.441 1.00 0.00 H new ATOM 0 HA CYS A 346 9.135 3.711 -12.897 1.00 0.00 H new ATOM 0 HB2 CYS A 346 9.733 1.769 -11.371 1.00 0.00 H new ATOM 0 HB3 CYS A 346 8.304 2.144 -10.429 1.00 0.00 H new ATOM 0 HG CYS A 346 6.514 1.093 -12.084 1.00 0.00 H new ATOM 484 N TYR A 347 7.163 4.680 -10.427 1.00 0.00 N ATOM 485 CA TYR A 347 5.932 5.392 -10.081 1.00 0.00 C ATOM 486 C TYR A 347 4.706 4.663 -10.628 1.00 0.00 C ATOM 487 O TYR A 347 3.946 5.200 -11.434 1.00 0.00 O ATOM 488 CB TYR A 347 5.971 6.840 -10.590 1.00 0.00 C ATOM 489 CG TYR A 347 5.106 7.798 -9.791 1.00 0.00 C ATOM 490 CD1 TYR A 347 3.776 7.507 -9.510 1.00 0.00 C ATOM 491 CD2 TYR A 347 5.623 9.003 -9.326 1.00 0.00 C ATOM 492 CE1 TYR A 347 2.987 8.384 -8.788 1.00 0.00 C ATOM 493 CE2 TYR A 347 4.840 9.885 -8.602 1.00 0.00 C ATOM 494 CZ TYR A 347 3.524 9.571 -8.337 1.00 0.00 C ATOM 495 OH TYR A 347 2.743 10.448 -7.617 1.00 0.00 O ATOM 0 H TYR A 347 7.743 4.449 -9.621 1.00 0.00 H new ATOM 0 HA TYR A 347 5.857 5.416 -8.994 1.00 0.00 H new ATOM 0 HB2 TYR A 347 7.002 7.194 -10.570 1.00 0.00 H new ATOM 0 HB3 TYR A 347 5.649 6.857 -11.631 1.00 0.00 H new ATOM 0 HD1 TYR A 347 3.351 6.579 -9.862 1.00 0.00 H new ATOM 0 HD2 TYR A 347 6.653 9.254 -9.534 1.00 0.00 H new ATOM 0 HE1 TYR A 347 1.956 8.140 -8.579 1.00 0.00 H new ATOM 0 HE2 TYR A 347 5.258 10.815 -8.246 1.00 0.00 H new ATOM 0 HH TYR A 347 3.274 11.235 -7.374 1.00 0.00 H new ATOM 505 N THR A 348 4.550 3.418 -10.224 1.00 0.00 N ATOM 506 CA THR A 348 3.346 2.665 -10.520 1.00 0.00 C ATOM 507 C THR A 348 2.557 2.491 -9.237 1.00 0.00 C ATOM 508 O THR A 348 3.012 1.806 -8.320 1.00 0.00 O ATOM 509 CB THR A 348 3.661 1.285 -11.117 1.00 0.00 C ATOM 510 OG1 THR A 348 4.814 1.369 -11.965 1.00 0.00 O ATOM 511 CG2 THR A 348 2.479 0.764 -11.922 1.00 0.00 C ATOM 0 H THR A 348 5.247 2.903 -9.686 1.00 0.00 H new ATOM 0 HA THR A 348 2.769 3.218 -11.261 1.00 0.00 H new ATOM 0 HB THR A 348 3.860 0.596 -10.296 1.00 0.00 H new ATOM 0 HG1 THR A 348 4.675 0.816 -12.762 1.00 0.00 H new ATOM 0 HG21 THR A 348 2.724 -0.214 -12.336 1.00 0.00 H new ATOM 0 HG22 THR A 348 1.607 0.676 -11.273 1.00 0.00 H new ATOM 0 HG23 THR A 348 2.258 1.457 -12.734 1.00 0.00 H new ATOM 519 N ALA A 349 1.388 3.096 -9.161 1.00 0.00 N ATOM 520 CA ALA A 349 0.660 3.148 -7.909 1.00 0.00 C ATOM 521 C ALA A 349 -0.452 2.114 -7.851 1.00 0.00 C ATOM 522 O ALA A 349 -1.180 1.892 -8.819 1.00 0.00 O ATOM 523 CB ALA A 349 0.097 4.538 -7.689 1.00 0.00 C ATOM 0 H ALA A 349 0.925 3.555 -9.945 1.00 0.00 H new ATOM 0 HA ALA A 349 1.364 2.913 -7.111 1.00 0.00 H new ATOM 0 HB1 ALA A 349 -0.448 4.565 -6.745 1.00 0.00 H new ATOM 0 HB2 ALA A 349 0.913 5.260 -7.658 1.00 0.00 H new ATOM 0 HB3 ALA A 349 -0.579 4.790 -8.506 1.00 0.00 H new ATOM 529 N PHE A 350 -0.542 1.462 -6.707 1.00 0.00 N ATOM 530 CA PHE A 350 -1.598 0.513 -6.433 1.00 0.00 C ATOM 531 C PHE A 350 -1.809 0.411 -4.928 1.00 0.00 C ATOM 532 O PHE A 350 -1.231 1.182 -4.165 1.00 0.00 O ATOM 533 CB PHE A 350 -1.310 -0.863 -7.072 1.00 0.00 C ATOM 534 CG PHE A 350 0.082 -1.421 -6.862 1.00 0.00 C ATOM 535 CD1 PHE A 350 1.201 -0.766 -7.360 1.00 0.00 C ATOM 536 CD2 PHE A 350 0.266 -2.624 -6.199 1.00 0.00 C ATOM 537 CE1 PHE A 350 2.466 -1.294 -7.200 1.00 0.00 C ATOM 538 CE2 PHE A 350 1.533 -3.156 -6.035 1.00 0.00 C ATOM 539 CZ PHE A 350 2.633 -2.490 -6.536 1.00 0.00 C ATOM 0 H PHE A 350 0.120 1.578 -5.940 1.00 0.00 H new ATOM 0 HA PHE A 350 -2.521 0.871 -6.889 1.00 0.00 H new ATOM 0 HB2 PHE A 350 -2.030 -1.581 -6.678 1.00 0.00 H new ATOM 0 HB3 PHE A 350 -1.490 -0.787 -8.144 1.00 0.00 H new ATOM 0 HD1 PHE A 350 1.079 0.172 -7.881 1.00 0.00 H new ATOM 0 HD2 PHE A 350 -0.590 -3.153 -5.806 1.00 0.00 H new ATOM 0 HE1 PHE A 350 3.324 -0.770 -7.595 1.00 0.00 H new ATOM 0 HE2 PHE A 350 1.661 -4.093 -5.514 1.00 0.00 H new ATOM 0 HZ PHE A 350 3.622 -2.905 -6.408 1.00 0.00 H new ATOM 549 N HIS A 351 -2.656 -0.504 -4.495 1.00 0.00 N ATOM 550 CA HIS A 351 -2.959 -0.623 -3.074 1.00 0.00 C ATOM 551 C HIS A 351 -2.339 -1.886 -2.504 1.00 0.00 C ATOM 552 O HIS A 351 -2.196 -2.879 -3.214 1.00 0.00 O ATOM 553 CB HIS A 351 -4.471 -0.632 -2.828 1.00 0.00 C ATOM 554 CG HIS A 351 -5.161 0.639 -3.224 1.00 0.00 C ATOM 555 ND1 HIS A 351 -6.138 0.693 -4.204 1.00 0.00 N ATOM 556 CD2 HIS A 351 -5.018 1.907 -2.768 1.00 0.00 C ATOM 557 CE1 HIS A 351 -6.556 1.946 -4.326 1.00 0.00 C ATOM 558 NE2 HIS A 351 -5.894 2.700 -3.473 1.00 0.00 N ATOM 0 H HIS A 351 -3.143 -1.170 -5.095 1.00 0.00 H new ATOM 0 HA HIS A 351 -2.533 0.245 -2.570 1.00 0.00 H new ATOM 0 HB2 HIS A 351 -4.914 -1.461 -3.380 1.00 0.00 H new ATOM 0 HB3 HIS A 351 -4.656 -0.819 -1.770 1.00 0.00 H new ATOM 0 HD2 HIS A 351 -4.341 2.235 -1.993 1.00 0.00 H new ATOM 0 HE1 HIS A 351 -7.315 2.291 -5.012 1.00 0.00 H new ATOM 0 HE2 HIS A 351 -6.011 3.706 -3.354 1.00 0.00 H new ATOM 566 N VAL A 352 -1.984 -1.844 -1.223 1.00 0.00 N ATOM 567 CA VAL A 352 -1.381 -2.992 -0.549 1.00 0.00 C ATOM 568 C VAL A 352 -2.291 -4.216 -0.646 1.00 0.00 C ATOM 569 O VAL A 352 -1.836 -5.327 -0.915 1.00 0.00 O ATOM 570 CB VAL A 352 -1.092 -2.682 0.936 1.00 0.00 C ATOM 571 CG1 VAL A 352 -0.423 -3.864 1.624 1.00 0.00 C ATOM 572 CG2 VAL A 352 -0.231 -1.433 1.062 1.00 0.00 C ATOM 0 H VAL A 352 -2.104 -1.024 -0.628 1.00 0.00 H new ATOM 0 HA VAL A 352 -0.437 -3.205 -1.051 1.00 0.00 H new ATOM 0 HB VAL A 352 -2.045 -2.500 1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 352 -0.232 -3.617 2.668 1.00 0.00 H new ATOM 0 HG12 VAL A 352 -1.078 -4.734 1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 352 0.520 -4.089 1.126 1.00 0.00 H new ATOM 0 HG21 VAL A 352 -0.037 -1.229 2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 352 0.714 -1.589 0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 352 -0.753 -0.585 0.619 1.00 0.00 H new ATOM 582 N THR A 353 -3.582 -3.998 -0.435 1.00 0.00 N ATOM 583 CA THR A 353 -4.563 -5.064 -0.572 1.00 0.00 C ATOM 584 C THR A 353 -4.616 -5.573 -2.014 1.00 0.00 C ATOM 585 O THR A 353 -4.666 -6.776 -2.252 1.00 0.00 O ATOM 586 CB THR A 353 -5.971 -4.607 -0.113 1.00 0.00 C ATOM 587 OG1 THR A 353 -6.933 -5.630 -0.391 1.00 0.00 O ATOM 588 CG2 THR A 353 -6.384 -3.310 -0.796 1.00 0.00 C ATOM 0 H THR A 353 -3.973 -3.094 -0.169 1.00 0.00 H new ATOM 0 HA THR A 353 -4.247 -5.881 0.077 1.00 0.00 H new ATOM 0 HB THR A 353 -5.931 -4.426 0.961 1.00 0.00 H new ATOM 0 HG1 THR A 353 -7.820 -5.334 -0.097 1.00 0.00 H new ATOM 0 HG21 THR A 353 -7.376 -3.017 -0.452 1.00 0.00 H new ATOM 0 HG22 THR A 353 -5.669 -2.525 -0.550 1.00 0.00 H new ATOM 0 HG23 THR A 353 -6.403 -3.458 -1.876 1.00 0.00 H new ATOM 596 N CYS A 354 -4.552 -4.656 -2.975 1.00 0.00 N ATOM 597 CA CYS A 354 -4.633 -5.019 -4.384 1.00 0.00 C ATOM 598 C CYS A 354 -3.422 -5.839 -4.804 1.00 0.00 C ATOM 599 O CYS A 354 -3.528 -6.725 -5.648 1.00 0.00 O ATOM 600 CB CYS A 354 -4.740 -3.769 -5.248 1.00 0.00 C ATOM 601 SG CYS A 354 -6.188 -2.752 -4.886 1.00 0.00 S ATOM 0 H CYS A 354 -4.444 -3.656 -2.803 1.00 0.00 H new ATOM 0 HA CYS A 354 -5.527 -5.626 -4.526 1.00 0.00 H new ATOM 0 HB2 CYS A 354 -3.842 -3.167 -5.112 1.00 0.00 H new ATOM 0 HB3 CYS A 354 -4.769 -4.065 -6.297 1.00 0.00 H new ATOM 0 HG CYS A 354 -6.576 -2.149 -5.970 1.00 0.00 H new ATOM 606 N ALA A 355 -2.276 -5.538 -4.209 1.00 0.00 N ATOM 607 CA ALA A 355 -1.065 -6.299 -4.461 1.00 0.00 C ATOM 608 C ALA A 355 -1.245 -7.733 -3.988 1.00 0.00 C ATOM 609 O ALA A 355 -0.766 -8.673 -4.621 1.00 0.00 O ATOM 610 CB ALA A 355 0.119 -5.645 -3.765 1.00 0.00 C ATOM 0 H ALA A 355 -2.162 -4.770 -3.547 1.00 0.00 H new ATOM 0 HA ALA A 355 -0.867 -6.311 -5.533 1.00 0.00 H new ATOM 0 HB1 ALA A 355 1.021 -6.224 -3.961 1.00 0.00 H new ATOM 0 HB2 ALA A 355 0.249 -4.631 -4.144 1.00 0.00 H new ATOM 0 HB3 ALA A 355 -0.064 -5.610 -2.691 1.00 0.00 H new ATOM 616 N GLN A 356 -1.947 -7.890 -2.873 1.00 0.00 N ATOM 617 CA GLN A 356 -2.278 -9.203 -2.340 1.00 0.00 C ATOM 618 C GLN A 356 -3.332 -9.892 -3.211 1.00 0.00 C ATOM 619 O GLN A 356 -3.247 -11.092 -3.470 1.00 0.00 O ATOM 620 CB GLN A 356 -2.765 -9.078 -0.898 1.00 0.00 C ATOM 621 CG GLN A 356 -1.689 -8.591 0.058 1.00 0.00 C ATOM 622 CD GLN A 356 -2.221 -8.316 1.448 1.00 0.00 C ATOM 623 OE1 GLN A 356 -2.261 -9.205 2.297 1.00 0.00 O ATOM 624 NE2 GLN A 356 -2.627 -7.081 1.688 1.00 0.00 N ATOM 0 H GLN A 356 -2.301 -7.113 -2.315 1.00 0.00 H new ATOM 0 HA GLN A 356 -1.379 -9.819 -2.351 1.00 0.00 H new ATOM 0 HB2 GLN A 356 -3.610 -8.390 -0.865 1.00 0.00 H new ATOM 0 HB3 GLN A 356 -3.131 -10.048 -0.560 1.00 0.00 H new ATOM 0 HG2 GLN A 356 -0.897 -9.338 0.118 1.00 0.00 H new ATOM 0 HG3 GLN A 356 -1.240 -7.682 -0.341 1.00 0.00 H new ATOM 0 HE21 GLN A 356 -2.575 -6.375 0.953 1.00 0.00 H new ATOM 0 HE22 GLN A 356 -2.992 -6.834 2.608 1.00 0.00 H new ATOM 633 N LYS A 357 -4.322 -9.123 -3.664 1.00 0.00 N ATOM 634 CA LYS A 357 -5.356 -9.649 -4.557 1.00 0.00 C ATOM 635 C LYS A 357 -4.742 -10.146 -5.862 1.00 0.00 C ATOM 636 O LYS A 357 -5.140 -11.186 -6.392 1.00 0.00 O ATOM 637 CB LYS A 357 -6.418 -8.585 -4.868 1.00 0.00 C ATOM 638 CG LYS A 357 -7.674 -8.650 -3.999 1.00 0.00 C ATOM 639 CD LYS A 357 -7.467 -8.048 -2.613 1.00 0.00 C ATOM 640 CE LYS A 357 -6.840 -9.032 -1.636 1.00 0.00 C ATOM 641 NZ LYS A 357 -7.742 -10.173 -1.335 1.00 0.00 N ATOM 0 H LYS A 357 -4.430 -8.136 -3.429 1.00 0.00 H new ATOM 0 HA LYS A 357 -5.834 -10.483 -4.043 1.00 0.00 H new ATOM 0 HB2 LYS A 357 -5.967 -7.599 -4.754 1.00 0.00 H new ATOM 0 HB3 LYS A 357 -6.712 -8.682 -5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 357 -8.485 -8.123 -4.501 1.00 0.00 H new ATOM 0 HG3 LYS A 357 -7.985 -9.690 -3.896 1.00 0.00 H new ATOM 0 HD2 LYS A 357 -6.830 -7.167 -2.695 1.00 0.00 H new ATOM 0 HD3 LYS A 357 -8.426 -7.712 -2.220 1.00 0.00 H new ATOM 0 HE2 LYS A 357 -5.906 -9.409 -2.052 1.00 0.00 H new ATOM 0 HE3 LYS A 357 -6.591 -8.514 -0.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 357 -7.447 -10.624 -0.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 357 -8.719 -9.828 -1.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 357 -7.693 -10.867 -2.108 1.00 0.00 H new ATOM 655 N ALA A 358 -3.777 -9.396 -6.382 1.00 0.00 N ATOM 656 CA ALA A 358 -3.091 -9.772 -7.609 1.00 0.00 C ATOM 657 C ALA A 358 -2.089 -10.891 -7.348 1.00 0.00 C ATOM 658 O ALA A 358 -1.978 -11.835 -8.128 1.00 0.00 O ATOM 659 CB ALA A 358 -2.394 -8.563 -8.217 1.00 0.00 C ATOM 0 H ALA A 358 -3.452 -8.521 -5.970 1.00 0.00 H new ATOM 0 HA ALA A 358 -3.833 -10.139 -8.318 1.00 0.00 H new ATOM 0 HB1 ALA A 358 -1.885 -8.860 -9.134 1.00 0.00 H new ATOM 0 HB2 ALA A 358 -3.132 -7.794 -8.444 1.00 0.00 H new ATOM 0 HB3 ALA A 358 -1.665 -8.169 -7.509 1.00 0.00 H new ATOM 665 N GLY A 359 -1.372 -10.783 -6.240 1.00 0.00 N ATOM 666 CA GLY A 359 -0.368 -11.772 -5.910 1.00 0.00 C ATOM 667 C GLY A 359 0.933 -11.516 -6.638 1.00 0.00 C ATOM 668 O GLY A 359 1.569 -12.447 -7.135 1.00 0.00 O ATOM 0 H GLY A 359 -1.468 -10.027 -5.562 1.00 0.00 H new ATOM 0 HA2 GLY A 359 -0.190 -11.765 -4.835 1.00 0.00 H new ATOM 0 HA3 GLY A 359 -0.738 -12.765 -6.165 1.00 0.00 H new ATOM 672 N LEU A 360 1.323 -10.250 -6.707 1.00 0.00 N ATOM 673 CA LEU A 360 2.533 -9.864 -7.415 1.00 0.00 C ATOM 674 C LEU A 360 3.757 -9.967 -6.510 1.00 0.00 C ATOM 675 O LEU A 360 3.643 -10.291 -5.324 1.00 0.00 O ATOM 676 CB LEU A 360 2.386 -8.452 -8.005 1.00 0.00 C ATOM 677 CG LEU A 360 1.855 -7.371 -7.052 1.00 0.00 C ATOM 678 CD1 LEU A 360 2.932 -6.908 -6.080 1.00 0.00 C ATOM 679 CD2 LEU A 360 1.313 -6.195 -7.848 1.00 0.00 C ATOM 0 H LEU A 360 0.818 -9.474 -6.280 1.00 0.00 H new ATOM 0 HA LEU A 360 2.682 -10.559 -8.241 1.00 0.00 H new ATOM 0 HB2 LEU A 360 3.360 -8.133 -8.377 1.00 0.00 H new ATOM 0 HB3 LEU A 360 1.719 -8.508 -8.865 1.00 0.00 H new ATOM 0 HG LEU A 360 1.046 -7.805 -6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 360 2.522 -6.143 -5.420 1.00 0.00 H new ATOM 0 HD12 LEU A 360 3.274 -7.755 -5.485 1.00 0.00 H new ATOM 0 HD13 LEU A 360 3.772 -6.494 -6.638 1.00 0.00 H new ATOM 0 HD21 LEU A 360 0.939 -5.434 -7.163 1.00 0.00 H new ATOM 0 HD22 LEU A 360 2.109 -5.772 -8.460 1.00 0.00 H new ATOM 0 HD23 LEU A 360 0.502 -6.534 -8.492 1.00 0.00 H new ATOM 691 N TYR A 361 4.921 -9.678 -7.071 1.00 0.00 N ATOM 692 CA TYR A 361 6.177 -9.868 -6.365 1.00 0.00 C ATOM 693 C TYR A 361 6.470 -8.715 -5.403 1.00 0.00 C ATOM 694 O TYR A 361 6.492 -7.546 -5.793 1.00 0.00 O ATOM 695 CB TYR A 361 7.327 -10.020 -7.369 1.00 0.00 C ATOM 696 CG TYR A 361 8.674 -10.265 -6.720 1.00 0.00 C ATOM 697 CD1 TYR A 361 9.482 -9.204 -6.335 1.00 0.00 C ATOM 698 CD2 TYR A 361 9.133 -11.557 -6.483 1.00 0.00 C ATOM 699 CE1 TYR A 361 10.707 -9.416 -5.738 1.00 0.00 C ATOM 700 CE2 TYR A 361 10.361 -11.778 -5.887 1.00 0.00 C ATOM 701 CZ TYR A 361 11.142 -10.705 -5.513 1.00 0.00 C ATOM 702 OH TYR A 361 12.364 -10.924 -4.917 1.00 0.00 O ATOM 0 H TYR A 361 5.021 -9.310 -8.017 1.00 0.00 H new ATOM 0 HA TYR A 361 6.088 -10.778 -5.772 1.00 0.00 H new ATOM 0 HB2 TYR A 361 7.102 -10.847 -8.043 1.00 0.00 H new ATOM 0 HB3 TYR A 361 7.386 -9.119 -7.979 1.00 0.00 H new ATOM 0 HD1 TYR A 361 9.145 -8.192 -6.506 1.00 0.00 H new ATOM 0 HD2 TYR A 361 8.521 -12.400 -6.769 1.00 0.00 H new ATOM 0 HE1 TYR A 361 11.322 -8.577 -5.448 1.00 0.00 H new ATOM 0 HE2 TYR A 361 10.707 -12.787 -5.715 1.00 0.00 H new ATOM 0 HH TYR A 361 12.518 -11.888 -4.831 1.00 0.00 H new ATOM 712 N MET A 362 6.697 -9.064 -4.145 1.00 0.00 N ATOM 713 CA MET A 362 7.151 -8.111 -3.146 1.00 0.00 C ATOM 714 C MET A 362 8.565 -8.461 -2.710 1.00 0.00 C ATOM 715 O MET A 362 8.823 -9.579 -2.268 1.00 0.00 O ATOM 716 CB MET A 362 6.232 -8.121 -1.921 1.00 0.00 C ATOM 717 CG MET A 362 4.868 -7.495 -2.150 1.00 0.00 C ATOM 718 SD MET A 362 3.822 -7.599 -0.683 1.00 0.00 S ATOM 719 CE MET A 362 2.334 -6.795 -1.265 1.00 0.00 C ATOM 0 H MET A 362 6.572 -10.012 -3.790 1.00 0.00 H new ATOM 0 HA MET A 362 7.132 -7.116 -3.591 1.00 0.00 H new ATOM 0 HB2 MET A 362 6.094 -9.152 -1.595 1.00 0.00 H new ATOM 0 HB3 MET A 362 6.728 -7.593 -1.107 1.00 0.00 H new ATOM 0 HG2 MET A 362 4.992 -6.450 -2.434 1.00 0.00 H new ATOM 0 HG3 MET A 362 4.375 -7.995 -2.983 1.00 0.00 H new ATOM 0 HE1 MET A 362 1.592 -6.782 -0.467 1.00 0.00 H new ATOM 0 HE2 MET A 362 2.565 -5.772 -1.562 1.00 0.00 H new ATOM 0 HE3 MET A 362 1.937 -7.340 -2.121 1.00 0.00 H new ATOM 729 N LYS A 363 9.485 -7.523 -2.846 1.00 0.00 N ATOM 730 CA LYS A 363 10.843 -7.738 -2.383 1.00 0.00 C ATOM 731 C LYS A 363 10.918 -7.362 -0.912 1.00 0.00 C ATOM 732 O LYS A 363 10.366 -6.343 -0.502 1.00 0.00 O ATOM 733 CB LYS A 363 11.836 -6.908 -3.194 1.00 0.00 C ATOM 734 CG LYS A 363 13.276 -7.351 -3.020 1.00 0.00 C ATOM 735 CD LYS A 363 14.234 -6.362 -3.653 1.00 0.00 C ATOM 736 CE LYS A 363 15.667 -6.853 -3.589 1.00 0.00 C ATOM 737 NZ LYS A 363 16.635 -5.789 -3.962 1.00 0.00 N ATOM 0 H LYS A 363 9.318 -6.611 -3.271 1.00 0.00 H new ATOM 0 HA LYS A 363 11.107 -8.787 -2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 363 11.571 -6.967 -4.250 1.00 0.00 H new ATOM 0 HB3 LYS A 363 11.748 -5.862 -2.901 1.00 0.00 H new ATOM 0 HG2 LYS A 363 13.502 -7.452 -1.959 1.00 0.00 H new ATOM 0 HG3 LYS A 363 13.414 -8.334 -3.470 1.00 0.00 H new ATOM 0 HD2 LYS A 363 13.952 -6.196 -4.693 1.00 0.00 H new ATOM 0 HD3 LYS A 363 14.155 -5.401 -3.144 1.00 0.00 H new ATOM 0 HE2 LYS A 363 15.885 -7.205 -2.581 1.00 0.00 H new ATOM 0 HE3 LYS A 363 15.789 -7.705 -4.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 17.126 -6.058 -4.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 16.127 -4.894 -4.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 17.331 -5.670 -3.198 1.00 0.00 H new ATOM 751 N MET A 364 11.594 -8.172 -0.119 1.00 0.00 N ATOM 752 CA MET A 364 11.593 -7.997 1.321 1.00 0.00 C ATOM 753 C MET A 364 13.011 -8.102 1.836 1.00 0.00 C ATOM 754 O MET A 364 13.587 -9.189 1.884 1.00 0.00 O ATOM 755 CB MET A 364 10.705 -9.051 1.991 1.00 0.00 C ATOM 756 CG MET A 364 9.275 -9.069 1.476 1.00 0.00 C ATOM 757 SD MET A 364 8.295 -10.412 2.170 1.00 0.00 S ATOM 758 CE MET A 364 6.777 -10.229 1.235 1.00 0.00 C ATOM 0 H MET A 364 12.152 -8.959 -0.449 1.00 0.00 H new ATOM 0 HA MET A 364 11.191 -7.013 1.562 1.00 0.00 H new ATOM 0 HB2 MET A 364 11.148 -10.035 1.839 1.00 0.00 H new ATOM 0 HB3 MET A 364 10.691 -8.870 3.066 1.00 0.00 H new ATOM 0 HG2 MET A 364 8.797 -8.118 1.712 1.00 0.00 H new ATOM 0 HG3 MET A 364 9.287 -9.159 0.390 1.00 0.00 H new ATOM 0 HE1 MET A 364 6.044 -10.956 1.585 1.00 0.00 H new ATOM 0 HE2 MET A 364 6.384 -9.222 1.373 1.00 0.00 H new ATOM 0 HE3 MET A 364 6.979 -10.398 0.177 1.00 0.00 H new ATOM 768 N GLU A 365 13.573 -6.971 2.196 1.00 0.00 N ATOM 769 CA GLU A 365 14.946 -6.913 2.642 1.00 0.00 C ATOM 770 C GLU A 365 15.009 -6.383 4.069 1.00 0.00 C ATOM 771 O GLU A 365 14.469 -5.317 4.369 1.00 0.00 O ATOM 772 CB GLU A 365 15.750 -6.026 1.696 1.00 0.00 C ATOM 773 CG GLU A 365 15.888 -6.592 0.294 1.00 0.00 C ATOM 774 CD GLU A 365 16.628 -5.657 -0.642 1.00 0.00 C ATOM 775 OE1 GLU A 365 16.098 -4.568 -0.947 1.00 0.00 O ATOM 776 OE2 GLU A 365 17.732 -6.015 -1.100 1.00 0.00 O ATOM 0 H GLU A 365 13.095 -6.070 2.188 1.00 0.00 H new ATOM 0 HA GLU A 365 15.376 -7.914 2.633 1.00 0.00 H new ATOM 0 HB2 GLU A 365 15.273 -5.048 1.637 1.00 0.00 H new ATOM 0 HB3 GLU A 365 16.744 -5.872 2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 365 16.415 -7.545 0.341 1.00 0.00 H new ATOM 0 HG3 GLU A 365 14.897 -6.796 -0.111 1.00 0.00 H new ATOM 783 N PRO A 366 15.640 -7.136 4.973 1.00 0.00 N ATOM 784 CA PRO A 366 15.732 -6.763 6.380 1.00 0.00 C ATOM 785 C PRO A 366 16.842 -5.749 6.653 1.00 0.00 C ATOM 786 O PRO A 366 17.974 -5.904 6.197 1.00 0.00 O ATOM 787 CB PRO A 366 16.039 -8.094 7.062 1.00 0.00 C ATOM 788 CG PRO A 366 16.806 -8.872 6.047 1.00 0.00 C ATOM 789 CD PRO A 366 16.312 -8.419 4.695 1.00 0.00 C ATOM 0 HA PRO A 366 14.824 -6.276 6.736 1.00 0.00 H new ATOM 0 HB2 PRO A 366 16.621 -7.948 7.972 1.00 0.00 H new ATOM 0 HB3 PRO A 366 15.124 -8.612 7.349 1.00 0.00 H new ATOM 0 HG2 PRO A 366 17.876 -8.693 6.149 1.00 0.00 H new ATOM 0 HG3 PRO A 366 16.648 -9.942 6.179 1.00 0.00 H new ATOM 0 HD2 PRO A 366 17.134 -8.295 3.991 1.00 0.00 H new ATOM 0 HD3 PRO A 366 15.625 -9.143 4.258 1.00 0.00 H new ATOM 797 N VAL A 367 16.503 -4.710 7.396 1.00 0.00 N ATOM 798 CA VAL A 367 17.479 -3.725 7.825 1.00 0.00 C ATOM 799 C VAL A 367 17.541 -3.694 9.349 1.00 0.00 C ATOM 800 O VAL A 367 16.555 -3.382 10.020 1.00 0.00 O ATOM 801 CB VAL A 367 17.175 -2.313 7.268 1.00 0.00 C ATOM 802 CG1 VAL A 367 17.553 -2.231 5.797 1.00 0.00 C ATOM 803 CG2 VAL A 367 15.710 -1.945 7.451 1.00 0.00 C ATOM 0 H VAL A 367 15.552 -4.527 7.716 1.00 0.00 H new ATOM 0 HA VAL A 367 18.448 -4.022 7.423 1.00 0.00 H new ATOM 0 HB VAL A 367 17.775 -1.599 7.832 1.00 0.00 H new ATOM 0 HG11 VAL A 367 17.333 -1.232 5.420 1.00 0.00 H new ATOM 0 HG12 VAL A 367 18.617 -2.436 5.683 1.00 0.00 H new ATOM 0 HG13 VAL A 367 16.980 -2.966 5.232 1.00 0.00 H new ATOM 0 HG21 VAL A 367 15.532 -0.948 7.049 1.00 0.00 H new ATOM 0 HG22 VAL A 367 15.085 -2.666 6.923 1.00 0.00 H new ATOM 0 HG23 VAL A 367 15.461 -1.958 8.512 1.00 0.00 H new ATOM 813 N LYS A 368 18.689 -4.056 9.895 1.00 0.00 N ATOM 814 CA LYS A 368 18.832 -4.159 11.337 1.00 0.00 C ATOM 815 C LYS A 368 19.201 -2.823 11.955 1.00 0.00 C ATOM 816 O LYS A 368 19.857 -1.984 11.332 1.00 0.00 O ATOM 817 CB LYS A 368 19.867 -5.218 11.712 1.00 0.00 C ATOM 818 CG LYS A 368 21.223 -5.014 11.061 1.00 0.00 C ATOM 819 CD LYS A 368 22.232 -6.021 11.576 1.00 0.00 C ATOM 820 CE LYS A 368 22.698 -5.688 12.984 1.00 0.00 C ATOM 821 NZ LYS A 368 23.683 -6.680 13.494 1.00 0.00 N ATOM 0 H LYS A 368 19.531 -4.282 9.366 1.00 0.00 H new ATOM 0 HA LYS A 368 17.865 -4.463 11.737 1.00 0.00 H new ATOM 0 HB2 LYS A 368 19.992 -5.222 12.795 1.00 0.00 H new ATOM 0 HB3 LYS A 368 19.485 -6.200 11.432 1.00 0.00 H new ATOM 0 HG2 LYS A 368 21.129 -5.110 9.979 1.00 0.00 H new ATOM 0 HG3 LYS A 368 21.578 -4.003 11.262 1.00 0.00 H new ATOM 0 HD2 LYS A 368 21.788 -7.017 11.566 1.00 0.00 H new ATOM 0 HD3 LYS A 368 23.092 -6.049 10.906 1.00 0.00 H new ATOM 0 HE2 LYS A 368 23.147 -4.695 12.992 1.00 0.00 H new ATOM 0 HE3 LYS A 368 21.838 -5.655 13.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 368 23.975 -6.416 14.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 368 23.248 -7.624 13.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 368 24.516 -6.694 12.871 1.00 0.00 H new ATOM 835 N GLU A 369 18.791 -2.651 13.194 1.00 0.00 N ATOM 836 CA GLU A 369 18.972 -1.403 13.922 1.00 0.00 C ATOM 837 C GLU A 369 19.185 -1.711 15.401 1.00 0.00 C ATOM 838 O GLU A 369 19.165 -2.871 15.808 1.00 0.00 O ATOM 839 CB GLU A 369 17.765 -0.474 13.756 1.00 0.00 C ATOM 840 CG GLU A 369 17.369 -0.194 12.317 1.00 0.00 C ATOM 841 CD GLU A 369 16.124 0.661 12.227 1.00 0.00 C ATOM 842 OE1 GLU A 369 15.057 0.219 12.701 1.00 0.00 O ATOM 843 OE2 GLU A 369 16.208 1.789 11.695 1.00 0.00 O ATOM 0 H GLU A 369 18.318 -3.377 13.733 1.00 0.00 H new ATOM 0 HA GLU A 369 19.844 -0.892 13.514 1.00 0.00 H new ATOM 0 HB2 GLU A 369 16.912 -0.914 14.274 1.00 0.00 H new ATOM 0 HB3 GLU A 369 17.983 0.473 14.249 1.00 0.00 H new ATOM 0 HG2 GLU A 369 18.191 0.308 11.806 1.00 0.00 H new ATOM 0 HG3 GLU A 369 17.199 -1.137 11.798 1.00 0.00 H new ATOM 850 N LEU A 370 19.412 -0.674 16.185 1.00 0.00 N ATOM 851 CA LEU A 370 19.722 -0.789 17.573 1.00 0.00 C ATOM 852 C LEU A 370 18.945 0.260 18.358 1.00 0.00 C ATOM 853 O LEU A 370 19.351 0.666 19.450 1.00 0.00 O ATOM 854 CB LEU A 370 21.209 -0.552 17.771 1.00 0.00 C ATOM 855 CG LEU A 370 21.856 0.533 16.895 1.00 0.00 C ATOM 856 CD1 LEU A 370 23.035 1.153 17.626 1.00 0.00 C ATOM 857 CD2 LEU A 370 22.326 -0.040 15.565 1.00 0.00 C ATOM 0 H LEU A 370 19.382 0.290 15.853 1.00 0.00 H new ATOM 0 HA LEU A 370 19.451 -1.784 17.925 1.00 0.00 H new ATOM 0 HB2 LEU A 370 21.376 -0.291 18.816 1.00 0.00 H new ATOM 0 HB3 LEU A 370 21.731 -1.492 17.590 1.00 0.00 H new ATOM 0 HG LEU A 370 21.104 1.296 16.694 1.00 0.00 H new ATOM 0 HD11 LEU A 370 23.489 1.921 16.999 1.00 0.00 H new ATOM 0 HD12 LEU A 370 22.690 1.602 18.558 1.00 0.00 H new ATOM 0 HD13 LEU A 370 23.773 0.382 17.846 1.00 0.00 H new ATOM 0 HD21 LEU A 370 22.779 0.751 14.968 1.00 0.00 H new ATOM 0 HD22 LEU A 370 23.061 -0.824 15.746 1.00 0.00 H new ATOM 0 HD23 LEU A 370 21.475 -0.458 15.028 1.00 0.00 H new ATOM 869 N THR A 371 17.834 0.702 17.784 1.00 0.00 N ATOM 870 CA THR A 371 17.068 1.809 18.335 1.00 0.00 C ATOM 871 C THR A 371 16.533 1.486 19.733 1.00 0.00 C ATOM 872 O THR A 371 15.738 0.564 19.913 1.00 0.00 O ATOM 873 CB THR A 371 15.898 2.157 17.395 1.00 0.00 C ATOM 874 OG1 THR A 371 16.388 2.290 16.052 1.00 0.00 O ATOM 875 CG2 THR A 371 15.219 3.449 17.820 1.00 0.00 C ATOM 0 H THR A 371 17.442 0.306 16.930 1.00 0.00 H new ATOM 0 HA THR A 371 17.736 2.666 18.422 1.00 0.00 H new ATOM 0 HB THR A 371 15.164 1.353 17.446 1.00 0.00 H new ATOM 0 HG1 THR A 371 15.644 2.510 15.453 1.00 0.00 H new ATOM 0 HG21 THR A 371 14.397 3.669 17.139 1.00 0.00 H new ATOM 0 HG22 THR A 371 14.831 3.340 18.833 1.00 0.00 H new ATOM 0 HG23 THR A 371 15.941 4.265 17.794 1.00 0.00 H new ATOM 883 N GLY A 372 16.974 2.258 20.719 1.00 0.00 N ATOM 884 CA GLY A 372 16.517 2.057 22.078 1.00 0.00 C ATOM 885 C GLY A 372 17.469 1.197 22.886 1.00 0.00 C ATOM 886 O GLY A 372 18.678 1.442 22.904 1.00 0.00 O ATOM 0 H GLY A 372 17.641 3.020 20.600 1.00 0.00 H new ATOM 0 HA2 GLY A 372 16.402 3.024 22.567 1.00 0.00 H new ATOM 0 HA3 GLY A 372 15.533 1.589 22.062 1.00 0.00 H new ATOM 890 N GLY A 373 16.927 0.184 23.547 1.00 0.00 N ATOM 891 CA GLY A 373 17.742 -0.688 24.368 1.00 0.00 C ATOM 892 C GLY A 373 17.818 -2.095 23.811 1.00 0.00 C ATOM 893 O GLY A 373 17.504 -3.062 24.505 1.00 0.00 O ATOM 0 H GLY A 373 15.934 -0.050 23.529 1.00 0.00 H new ATOM 0 HA2 GLY A 373 18.748 -0.275 24.445 1.00 0.00 H new ATOM 0 HA3 GLY A 373 17.332 -0.721 25.378 1.00 0.00 H new ATOM 897 N GLY A 374 18.218 -2.206 22.555 1.00 0.00 N ATOM 898 CA GLY A 374 18.358 -3.505 21.932 1.00 0.00 C ATOM 899 C GLY A 374 18.310 -3.413 20.425 1.00 0.00 C ATOM 900 O GLY A 374 18.165 -2.324 19.873 1.00 0.00 O ATOM 0 H GLY A 374 18.449 -1.416 21.953 1.00 0.00 H new ATOM 0 HA2 GLY A 374 19.302 -3.955 22.239 1.00 0.00 H new ATOM 0 HA3 GLY A 374 17.563 -4.163 22.281 1.00 0.00 H new ATOM 904 N THR A 375 18.441 -4.549 19.757 1.00 0.00 N ATOM 905 CA THR A 375 18.388 -4.588 18.307 1.00 0.00 C ATOM 906 C THR A 375 16.945 -4.499 17.824 1.00 0.00 C ATOM 907 O THR A 375 16.059 -5.138 18.389 1.00 0.00 O ATOM 908 CB THR A 375 19.040 -5.874 17.759 1.00 0.00 C ATOM 909 OG1 THR A 375 18.513 -7.020 18.440 1.00 0.00 O ATOM 910 CG2 THR A 375 20.553 -5.832 17.921 1.00 0.00 C ATOM 0 H THR A 375 18.585 -5.457 20.199 1.00 0.00 H new ATOM 0 HA THR A 375 18.947 -3.730 17.932 1.00 0.00 H new ATOM 0 HB THR A 375 18.809 -5.944 16.696 1.00 0.00 H new ATOM 0 HG1 THR A 375 18.931 -7.832 18.085 1.00 0.00 H new ATOM 0 HG21 THR A 375 20.987 -6.751 17.526 1.00 0.00 H new ATOM 0 HG22 THR A 375 20.954 -4.978 17.375 1.00 0.00 H new ATOM 0 HG23 THR A 375 20.803 -5.737 18.978 1.00 0.00 H new ATOM 918 N THR A 376 16.710 -3.716 16.781 1.00 0.00 N ATOM 919 CA THR A 376 15.394 -3.550 16.258 1.00 0.00 C ATOM 920 C THR A 376 15.396 -3.990 14.814 1.00 0.00 C ATOM 921 O THR A 376 16.152 -3.499 13.976 1.00 0.00 O ATOM 922 CB THR A 376 14.899 -2.093 16.385 1.00 0.00 C ATOM 923 OG1 THR A 376 15.632 -1.229 15.520 1.00 0.00 O ATOM 924 CG2 THR A 376 15.069 -1.604 17.807 1.00 0.00 C ATOM 0 H THR A 376 17.431 -3.189 16.288 1.00 0.00 H new ATOM 0 HA THR A 376 14.704 -4.162 16.838 1.00 0.00 H new ATOM 0 HB THR A 376 13.845 -2.077 16.106 1.00 0.00 H new ATOM 0 HG1 THR A 376 15.091 -1.021 14.730 1.00 0.00 H new ATOM 0 HG21 THR A 376 14.716 -0.575 17.883 1.00 0.00 H new ATOM 0 HG22 THR A 376 14.491 -2.236 18.481 1.00 0.00 H new ATOM 0 HG23 THR A 376 16.123 -1.647 18.083 1.00 0.00 H new ATOM 932 N PHE A 377 14.577 -4.954 14.569 1.00 0.00 N ATOM 933 CA PHE A 377 14.432 -5.550 13.260 1.00 0.00 C ATOM 934 C PHE A 377 13.402 -4.792 12.423 1.00 0.00 C ATOM 935 O PHE A 377 12.205 -4.822 12.708 1.00 0.00 O ATOM 936 CB PHE A 377 14.038 -7.019 13.438 1.00 0.00 C ATOM 937 CG PHE A 377 13.555 -7.687 12.189 1.00 0.00 C ATOM 938 CD1 PHE A 377 14.443 -8.122 11.225 1.00 0.00 C ATOM 939 CD2 PHE A 377 12.203 -7.885 11.996 1.00 0.00 C ATOM 940 CE1 PHE A 377 13.988 -8.746 10.079 1.00 0.00 C ATOM 941 CE2 PHE A 377 11.736 -8.509 10.856 1.00 0.00 C ATOM 942 CZ PHE A 377 12.631 -8.941 9.894 1.00 0.00 C ATOM 0 H PHE A 377 13.972 -5.367 15.278 1.00 0.00 H new ATOM 0 HA PHE A 377 15.377 -5.492 12.721 1.00 0.00 H new ATOM 0 HB2 PHE A 377 14.898 -7.569 13.820 1.00 0.00 H new ATOM 0 HB3 PHE A 377 13.256 -7.083 14.195 1.00 0.00 H new ATOM 0 HD1 PHE A 377 15.503 -7.973 11.368 1.00 0.00 H new ATOM 0 HD2 PHE A 377 11.502 -7.548 12.745 1.00 0.00 H new ATOM 0 HE1 PHE A 377 14.690 -9.081 9.330 1.00 0.00 H new ATOM 0 HE2 PHE A 377 10.676 -8.659 10.716 1.00 0.00 H new ATOM 0 HZ PHE A 377 12.271 -9.429 9.000 1.00 0.00 H new ATOM 952 N SER A 378 13.880 -4.095 11.405 1.00 0.00 N ATOM 953 CA SER A 378 13.008 -3.394 10.481 1.00 0.00 C ATOM 954 C SER A 378 13.135 -4.000 9.090 1.00 0.00 C ATOM 955 O SER A 378 14.124 -4.670 8.784 1.00 0.00 O ATOM 956 CB SER A 378 13.358 -1.904 10.453 1.00 0.00 C ATOM 957 OG SER A 378 13.191 -1.318 11.733 1.00 0.00 O ATOM 0 H SER A 378 14.874 -4.000 11.198 1.00 0.00 H new ATOM 0 HA SER A 378 11.976 -3.498 10.815 1.00 0.00 H new ATOM 0 HB2 SER A 378 14.388 -1.775 10.122 1.00 0.00 H new ATOM 0 HB3 SER A 378 12.724 -1.392 9.729 1.00 0.00 H new ATOM 0 HG SER A 378 14.056 -0.993 12.059 1.00 0.00 H new ATOM 963 N VAL A 379 12.136 -3.788 8.251 1.00 0.00 N ATOM 964 CA VAL A 379 12.166 -4.320 6.901 1.00 0.00 C ATOM 965 C VAL A 379 11.918 -3.211 5.895 1.00 0.00 C ATOM 966 O VAL A 379 11.081 -2.333 6.116 1.00 0.00 O ATOM 967 CB VAL A 379 11.099 -5.415 6.681 1.00 0.00 C ATOM 968 CG1 VAL A 379 11.380 -6.203 5.408 1.00 0.00 C ATOM 969 CG2 VAL A 379 10.995 -6.348 7.880 1.00 0.00 C ATOM 0 H VAL A 379 11.298 -3.254 8.480 1.00 0.00 H new ATOM 0 HA VAL A 379 13.154 -4.759 6.760 1.00 0.00 H new ATOM 0 HB VAL A 379 10.138 -4.913 6.569 1.00 0.00 H new ATOM 0 HG11 VAL A 379 10.614 -6.967 5.277 1.00 0.00 H new ATOM 0 HG12 VAL A 379 11.369 -5.528 4.552 1.00 0.00 H new ATOM 0 HG13 VAL A 379 12.358 -6.678 5.483 1.00 0.00 H new ATOM 0 HG21 VAL A 379 10.234 -7.104 7.687 1.00 0.00 H new ATOM 0 HG22 VAL A 379 11.956 -6.834 8.047 1.00 0.00 H new ATOM 0 HG23 VAL A 379 10.720 -5.774 8.765 1.00 0.00 H new ATOM 979 N ARG A 380 12.647 -3.255 4.799 1.00 0.00 N ATOM 980 CA ARG A 380 12.406 -2.361 3.683 1.00 0.00 C ATOM 981 C ARG A 380 11.779 -3.160 2.550 1.00 0.00 C ATOM 982 O ARG A 380 12.465 -3.845 1.789 1.00 0.00 O ATOM 983 CB ARG A 380 13.699 -1.650 3.237 1.00 0.00 C ATOM 984 CG ARG A 380 14.872 -2.580 2.956 1.00 0.00 C ATOM 985 CD ARG A 380 15.302 -2.530 1.495 1.00 0.00 C ATOM 986 NE ARG A 380 15.942 -1.265 1.142 1.00 0.00 N ATOM 987 CZ ARG A 380 16.930 -1.155 0.250 1.00 0.00 C ATOM 988 NH1 ARG A 380 17.322 -2.214 -0.451 1.00 0.00 N ATOM 989 NH2 ARG A 380 17.500 0.023 0.036 1.00 0.00 N ATOM 0 H ARG A 380 13.419 -3.907 4.656 1.00 0.00 H new ATOM 0 HA ARG A 380 11.719 -1.572 3.989 1.00 0.00 H new ATOM 0 HB2 ARG A 380 13.488 -1.072 2.338 1.00 0.00 H new ATOM 0 HB3 ARG A 380 13.993 -0.940 4.011 1.00 0.00 H new ATOM 0 HG2 ARG A 380 15.714 -2.304 3.591 1.00 0.00 H new ATOM 0 HG3 ARG A 380 14.596 -3.601 3.218 1.00 0.00 H new ATOM 0 HD2 ARG A 380 15.991 -3.350 1.294 1.00 0.00 H new ATOM 0 HD3 ARG A 380 14.431 -2.683 0.858 1.00 0.00 H new ATOM 0 HE ARG A 380 15.615 -0.416 1.604 1.00 0.00 H new ATOM 0 HH11 ARG A 380 16.868 -3.116 -0.309 1.00 0.00 H new ATOM 0 HH12 ARG A 380 18.077 -2.124 -1.131 1.00 0.00 H new ATOM 0 HH21 ARG A 380 17.184 0.844 0.552 1.00 0.00 H new ATOM 0 HH22 ARG A 380 18.255 0.108 -0.645 1.00 0.00 H new ATOM 1003 N LYS A 381 10.460 -3.126 2.481 1.00 0.00 N ATOM 1004 CA LYS A 381 9.746 -3.918 1.504 1.00 0.00 C ATOM 1005 C LYS A 381 9.500 -3.102 0.249 1.00 0.00 C ATOM 1006 O LYS A 381 8.766 -2.113 0.262 1.00 0.00 O ATOM 1007 CB LYS A 381 8.423 -4.430 2.077 1.00 0.00 C ATOM 1008 CG LYS A 381 7.758 -5.482 1.201 1.00 0.00 C ATOM 1009 CD LYS A 381 6.407 -5.910 1.749 1.00 0.00 C ATOM 1010 CE LYS A 381 6.535 -6.579 3.109 1.00 0.00 C ATOM 1011 NZ LYS A 381 5.220 -7.017 3.645 1.00 0.00 N ATOM 0 H LYS A 381 9.867 -2.560 3.088 1.00 0.00 H new ATOM 0 HA LYS A 381 10.359 -4.782 1.248 1.00 0.00 H new ATOM 0 HB2 LYS A 381 8.602 -4.850 3.067 1.00 0.00 H new ATOM 0 HB3 LYS A 381 7.741 -3.590 2.206 1.00 0.00 H new ATOM 0 HG2 LYS A 381 7.631 -5.087 0.193 1.00 0.00 H new ATOM 0 HG3 LYS A 381 8.409 -6.352 1.123 1.00 0.00 H new ATOM 0 HD2 LYS A 381 5.756 -5.040 1.832 1.00 0.00 H new ATOM 0 HD3 LYS A 381 5.932 -6.597 1.049 1.00 0.00 H new ATOM 0 HE2 LYS A 381 7.197 -7.441 3.027 1.00 0.00 H new ATOM 0 HE3 LYS A 381 6.999 -5.886 3.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 5.356 -7.467 4.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 4.595 -6.192 3.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 4.788 -7.699 2.989 1.00 0.00 H new ATOM 1025 N THR A 382 10.134 -3.514 -0.828 1.00 0.00 N ATOM 1026 CA THR A 382 9.963 -2.865 -2.108 1.00 0.00 C ATOM 1027 C THR A 382 9.238 -3.799 -3.060 1.00 0.00 C ATOM 1028 O THR A 382 9.794 -4.797 -3.508 1.00 0.00 O ATOM 1029 CB THR A 382 11.323 -2.465 -2.712 1.00 0.00 C ATOM 1030 OG1 THR A 382 11.980 -1.525 -1.854 1.00 0.00 O ATOM 1031 CG2 THR A 382 11.151 -1.864 -4.099 1.00 0.00 C ATOM 0 H THR A 382 10.779 -4.304 -0.840 1.00 0.00 H new ATOM 0 HA THR A 382 9.374 -1.960 -1.958 1.00 0.00 H new ATOM 0 HB THR A 382 11.933 -3.364 -2.802 1.00 0.00 H new ATOM 0 HG1 THR A 382 12.845 -1.276 -2.243 1.00 0.00 H new ATOM 0 HG21 THR A 382 12.127 -1.591 -4.501 1.00 0.00 H new ATOM 0 HG22 THR A 382 10.679 -2.595 -4.756 1.00 0.00 H new ATOM 0 HG23 THR A 382 10.523 -0.975 -4.035 1.00 0.00 H new ATOM 1039 N ALA A 383 7.997 -3.488 -3.362 1.00 0.00 N ATOM 1040 CA ALA A 383 7.223 -4.327 -4.250 1.00 0.00 C ATOM 1041 C ALA A 383 7.323 -3.809 -5.668 1.00 0.00 C ATOM 1042 O ALA A 383 7.525 -2.611 -5.894 1.00 0.00 O ATOM 1043 CB ALA A 383 5.772 -4.402 -3.797 1.00 0.00 C ATOM 0 H ALA A 383 7.505 -2.667 -3.009 1.00 0.00 H new ATOM 0 HA ALA A 383 7.630 -5.338 -4.220 1.00 0.00 H new ATOM 0 HB1 ALA A 383 5.210 -5.039 -4.480 1.00 0.00 H new ATOM 0 HB2 ALA A 383 5.726 -4.820 -2.791 1.00 0.00 H new ATOM 0 HB3 ALA A 383 5.339 -3.401 -3.794 1.00 0.00 H new ATOM 1049 N TYR A 384 7.209 -4.707 -6.623 1.00 0.00 N ATOM 1050 CA TYR A 384 7.277 -4.329 -8.014 1.00 0.00 C ATOM 1051 C TYR A 384 5.918 -4.517 -8.652 1.00 0.00 C ATOM 1052 O TYR A 384 5.189 -5.445 -8.306 1.00 0.00 O ATOM 1053 CB TYR A 384 8.332 -5.154 -8.757 1.00 0.00 C ATOM 1054 CG TYR A 384 9.712 -5.078 -8.140 1.00 0.00 C ATOM 1055 CD1 TYR A 384 10.261 -3.858 -7.759 1.00 0.00 C ATOM 1056 CD2 TYR A 384 10.462 -6.226 -7.932 1.00 0.00 C ATOM 1057 CE1 TYR A 384 11.518 -3.790 -7.191 1.00 0.00 C ATOM 1058 CE2 TYR A 384 11.720 -6.166 -7.363 1.00 0.00 C ATOM 1059 CZ TYR A 384 12.243 -4.945 -6.995 1.00 0.00 C ATOM 1060 OH TYR A 384 13.497 -4.879 -6.430 1.00 0.00 O ATOM 0 H TYR A 384 7.069 -5.704 -6.459 1.00 0.00 H new ATOM 0 HA TYR A 384 7.568 -3.280 -8.079 1.00 0.00 H new ATOM 0 HB2 TYR A 384 8.013 -6.196 -8.783 1.00 0.00 H new ATOM 0 HB3 TYR A 384 8.387 -4.811 -9.790 1.00 0.00 H new ATOM 0 HD1 TYR A 384 9.696 -2.950 -7.910 1.00 0.00 H new ATOM 0 HD2 TYR A 384 10.056 -7.184 -8.220 1.00 0.00 H new ATOM 0 HE1 TYR A 384 11.931 -2.835 -6.902 1.00 0.00 H new ATOM 0 HE2 TYR A 384 12.290 -7.070 -7.208 1.00 0.00 H new ATOM 0 HH TYR A 384 13.459 -4.343 -5.611 1.00 0.00 H new ATOM 1070 N CYS A 385 5.566 -3.622 -9.560 1.00 0.00 N ATOM 1071 CA CYS A 385 4.284 -3.739 -10.254 1.00 0.00 C ATOM 1072 C CYS A 385 4.234 -5.032 -11.064 1.00 0.00 C ATOM 1073 O CYS A 385 5.271 -5.552 -11.481 1.00 0.00 O ATOM 1074 CB CYS A 385 4.022 -2.524 -11.157 1.00 0.00 C ATOM 1075 SG CYS A 385 5.255 -2.246 -12.459 1.00 0.00 S ATOM 0 H CYS A 385 6.133 -2.820 -9.834 1.00 0.00 H new ATOM 0 HA CYS A 385 3.496 -3.767 -9.501 1.00 0.00 H new ATOM 0 HB2 CYS A 385 3.045 -2.643 -11.624 1.00 0.00 H new ATOM 0 HB3 CYS A 385 3.970 -1.632 -10.532 1.00 0.00 H new ATOM 0 HG CYS A 385 6.356 -1.805 -11.927 1.00 0.00 H new ATOM 1080 N ASP A 386 3.023 -5.547 -11.261 1.00 0.00 N ATOM 1081 CA ASP A 386 2.800 -6.828 -11.946 1.00 0.00 C ATOM 1082 C ASP A 386 3.568 -6.921 -13.267 1.00 0.00 C ATOM 1083 O ASP A 386 4.127 -7.967 -13.601 1.00 0.00 O ATOM 1084 CB ASP A 386 1.302 -7.022 -12.197 1.00 0.00 C ATOM 1085 CG ASP A 386 0.987 -8.308 -12.941 1.00 0.00 C ATOM 1086 OD1 ASP A 386 1.111 -9.396 -12.341 1.00 0.00 O ATOM 1087 OD2 ASP A 386 0.578 -8.235 -14.120 1.00 0.00 O ATOM 0 H ASP A 386 2.164 -5.091 -10.952 1.00 0.00 H new ATOM 0 HA ASP A 386 3.176 -7.619 -11.297 1.00 0.00 H new ATOM 0 HB2 ASP A 386 0.776 -7.023 -11.242 1.00 0.00 H new ATOM 0 HB3 ASP A 386 0.922 -6.175 -12.769 1.00 0.00 H new ATOM 1092 N VAL A 387 3.619 -5.820 -13.999 1.00 0.00 N ATOM 1093 CA VAL A 387 4.268 -5.797 -15.308 1.00 0.00 C ATOM 1094 C VAL A 387 5.714 -5.296 -15.221 1.00 0.00 C ATOM 1095 O VAL A 387 6.242 -4.734 -16.179 1.00 0.00 O ATOM 1096 CB VAL A 387 3.478 -4.910 -16.296 1.00 0.00 C ATOM 1097 CG1 VAL A 387 2.120 -5.528 -16.599 1.00 0.00 C ATOM 1098 CG2 VAL A 387 3.309 -3.499 -15.744 1.00 0.00 C ATOM 0 H VAL A 387 3.219 -4.927 -13.712 1.00 0.00 H new ATOM 0 HA VAL A 387 4.282 -6.825 -15.671 1.00 0.00 H new ATOM 0 HB VAL A 387 4.046 -4.847 -17.224 1.00 0.00 H new ATOM 0 HG11 VAL A 387 1.577 -4.890 -17.296 1.00 0.00 H new ATOM 0 HG12 VAL A 387 2.260 -6.514 -17.043 1.00 0.00 H new ATOM 0 HG13 VAL A 387 1.549 -5.623 -15.675 1.00 0.00 H new ATOM 0 HG21 VAL A 387 2.750 -2.894 -16.457 1.00 0.00 H new ATOM 0 HG22 VAL A 387 2.766 -3.540 -14.800 1.00 0.00 H new ATOM 0 HG23 VAL A 387 4.290 -3.053 -15.580 1.00 0.00 H new ATOM 1108 N HIS A 388 6.365 -5.514 -14.084 1.00 0.00 N ATOM 1109 CA HIS A 388 7.734 -5.039 -13.898 1.00 0.00 C ATOM 1110 C HIS A 388 8.753 -6.167 -14.056 1.00 0.00 C ATOM 1111 O HIS A 388 9.863 -5.937 -14.529 1.00 0.00 O ATOM 1112 CB HIS A 388 7.891 -4.400 -12.514 1.00 0.00 C ATOM 1113 CG HIS A 388 9.166 -3.627 -12.331 1.00 0.00 C ATOM 1114 ND1 HIS A 388 9.196 -2.249 -12.194 1.00 0.00 N ATOM 1115 CD2 HIS A 388 10.455 -4.038 -12.251 1.00 0.00 C ATOM 1116 CE1 HIS A 388 10.457 -1.857 -12.042 1.00 0.00 C ATOM 1117 NE2 HIS A 388 11.235 -2.920 -12.073 1.00 0.00 N ATOM 0 H HIS A 388 5.974 -6.011 -13.284 1.00 0.00 H new ATOM 0 HA HIS A 388 7.927 -4.296 -14.671 1.00 0.00 H new ATOM 0 HB2 HIS A 388 7.047 -3.733 -12.337 1.00 0.00 H new ATOM 0 HB3 HIS A 388 7.843 -5.183 -11.758 1.00 0.00 H new ATOM 0 HD1 HIS A 388 8.382 -1.634 -12.208 1.00 0.00 H new ATOM 0 HD2 HIS A 388 10.805 -5.058 -12.315 1.00 0.00 H new ATOM 0 HE1 HIS A 388 10.789 -0.837 -11.914 1.00 0.00 H new ATOM 1125 N THR A 389 8.379 -7.370 -13.654 1.00 0.00 N ATOM 1126 CA THR A 389 9.326 -8.478 -13.601 1.00 0.00 C ATOM 1127 C THR A 389 9.644 -9.061 -14.993 1.00 0.00 C ATOM 1128 O THR A 389 10.814 -9.109 -15.380 1.00 0.00 O ATOM 1129 CB THR A 389 8.814 -9.594 -12.666 1.00 0.00 C ATOM 1130 OG1 THR A 389 8.263 -9.013 -11.475 1.00 0.00 O ATOM 1131 CG2 THR A 389 9.941 -10.546 -12.291 1.00 0.00 C ATOM 0 H THR A 389 7.431 -7.607 -13.360 1.00 0.00 H new ATOM 0 HA THR A 389 10.254 -8.069 -13.202 1.00 0.00 H new ATOM 0 HB THR A 389 8.043 -10.157 -13.193 1.00 0.00 H new ATOM 0 HG1 THR A 389 7.937 -9.724 -10.885 1.00 0.00 H new ATOM 0 HG21 THR A 389 9.556 -11.324 -11.632 1.00 0.00 H new ATOM 0 HG22 THR A 389 10.346 -11.003 -13.194 1.00 0.00 H new ATOM 0 HG23 THR A 389 10.729 -9.993 -11.779 1.00 0.00 H new ATOM 1139 N PRO A 390 8.630 -9.523 -15.768 1.00 0.00 N ATOM 1140 CA PRO A 390 8.869 -10.174 -17.071 1.00 0.00 C ATOM 1141 C PRO A 390 9.591 -9.331 -18.153 1.00 0.00 C ATOM 1142 O PRO A 390 10.310 -9.921 -18.959 1.00 0.00 O ATOM 1143 CB PRO A 390 7.473 -10.583 -17.556 1.00 0.00 C ATOM 1144 CG PRO A 390 6.505 -9.803 -16.735 1.00 0.00 C ATOM 1145 CD PRO A 390 7.190 -9.500 -15.430 1.00 0.00 C ATOM 0 HA PRO A 390 9.566 -10.999 -16.920 1.00 0.00 H new ATOM 0 HB2 PRO A 390 7.349 -10.364 -18.617 1.00 0.00 H new ATOM 0 HB3 PRO A 390 7.315 -11.654 -17.431 1.00 0.00 H new ATOM 0 HG2 PRO A 390 6.219 -8.883 -17.245 1.00 0.00 H new ATOM 0 HG3 PRO A 390 5.591 -10.373 -16.569 1.00 0.00 H new ATOM 0 HD2 PRO A 390 6.888 -8.529 -15.036 1.00 0.00 H new ATOM 0 HD3 PRO A 390 6.947 -10.242 -14.670 1.00 0.00 H new