USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 424 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 239 TYR OH : rot -158:sc= 1.19 USER MOD Set 1.2: A 268 ASN : amide:sc= 0.369 K(o=1.6,f=-3.9) USER MOD Set 2.1: A 245 CYS SG : rot -30:sc= -0.635 USER MOD Set 2.2: A 247 HIS : no HD1:sc= -10.5! C(o=-15!,f=-15!) USER MOD Set 2.3: A 248 CYS SG : rot -72:sc= 0.402 USER MOD Set 2.4: A 250 THR OG1 : rot -48:sc= 0.952 USER MOD Set 2.5: A 270 HIS : no HE2:sc= -3.32! C(o=-15!,f=-15!) USER MOD Set 2.6: A 273 CYS SG : rot -161:sc= -1.99 USER MOD Set 2.7: A 276 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 238 ASN : amide:sc= -0.481 K(o=-0.51,f=-2.3) USER MOD Set 3.2: A 240 LYS NZ :NH3+ -162:sc= -0.0298 (180deg=-0.465) USER MOD Set 4.1: A 232 HIS : no HD1:sc= 0.0156 K(o=-5,f=-6) USER MOD Set 4.2: A 262 CYS SG : rot 171:sc= -4.98! USER MOD Set 4.3: A 265 CYS SG : rot -55:sc= 0.92 USER MOD Set 4.4: A 267 MET CE :methyl 164:sc= -0.0421 (180deg=-0.582) USER MOD Set 4.5: A 281 CYS SG : rot 59:sc= -0.926 USER MOD Single : A 230 MET CE :methyl 168:sc= -0.089 (180deg=-0.405) USER MOD Single : A 235 LYS NZ :NH3+ -158:sc= -0.25 (180deg=-1.03) USER MOD Single : A 237 TYR OH : rot 180:sc= 0 USER MOD Single : A 241 SER OG : rot 38:sc= 1.23 USER MOD Single : A 243 THR OG1 : rot -177:sc= -2.18! USER MOD Single : A 258 GLN : amide:sc= 0.32 K(o=0.32,f=-0.5) USER MOD Single : A 261 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 271 HIS : no HD1:sc= -1.76 X(o=-1.8,f=-1.8) USER MOD Single : A 274 GLN : amide:sc= -2.88 K(o=-2.9,f=-4.1!) USER MOD Single : A 275 THR OG1 : rot 180:sc= -0.179 USER MOD Single : A 279 ASN : amide:sc= -0.13 K(o=-0.13,f=-4.3!) USER MOD Single : A 284 ASN : amide:sc= -0.0324 K(o=-0.032,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 107 N ASP A 229 -2.119 -14.568 -7.181 1.00 0.00 N ATOM 108 CA ASP A 229 -2.575 -13.188 -7.062 1.00 0.00 C ATOM 109 C ASP A 229 -1.422 -12.214 -7.287 1.00 0.00 C ATOM 110 O ASP A 229 -0.469 -12.175 -6.510 1.00 0.00 O ATOM 111 CB ASP A 229 -3.198 -12.951 -5.686 1.00 0.00 C ATOM 112 CG ASP A 229 -4.241 -13.994 -5.335 1.00 0.00 C ATOM 113 OD1 ASP A 229 -3.861 -15.163 -5.112 1.00 0.00 O ATOM 114 OD2 ASP A 229 -5.438 -13.641 -5.284 1.00 0.00 O ATOM 0 HA ASP A 229 -3.330 -13.013 -7.829 1.00 0.00 H new ATOM 0 HB2 ASP A 229 -2.413 -12.957 -4.929 1.00 0.00 H new ATOM 0 HB3 ASP A 229 -3.655 -11.962 -5.663 1.00 0.00 H new ATOM 119 N MET A 230 -1.517 -11.430 -8.356 1.00 0.00 N ATOM 120 CA MET A 230 -0.482 -10.456 -8.683 1.00 0.00 C ATOM 121 C MET A 230 -0.968 -9.036 -8.413 1.00 0.00 C ATOM 122 O MET A 230 -1.652 -8.421 -9.232 1.00 0.00 O ATOM 123 CB MET A 230 -0.066 -10.595 -10.149 1.00 0.00 C ATOM 124 CG MET A 230 0.876 -11.760 -10.405 1.00 0.00 C ATOM 125 SD MET A 230 0.899 -12.267 -12.135 1.00 0.00 S ATOM 126 CE MET A 230 1.092 -10.683 -12.950 1.00 0.00 C ATOM 0 H MET A 230 -2.299 -11.450 -9.010 1.00 0.00 H new ATOM 0 HA MET A 230 0.381 -10.653 -8.048 1.00 0.00 H new ATOM 0 HB2 MET A 230 -0.959 -10.719 -10.761 1.00 0.00 H new ATOM 0 HB3 MET A 230 0.415 -9.672 -10.471 1.00 0.00 H new ATOM 0 HG2 MET A 230 1.884 -11.481 -10.099 1.00 0.00 H new ATOM 0 HG3 MET A 230 0.578 -12.606 -9.786 1.00 0.00 H new ATOM 0 HE1 MET A 230 1.336 -10.842 -14.000 1.00 0.00 H new ATOM 0 HE2 MET A 230 0.162 -10.119 -12.874 1.00 0.00 H new ATOM 0 HE3 MET A 230 1.896 -10.123 -12.472 1.00 0.00 H new ATOM 136 N PRO A 231 -0.609 -8.500 -7.237 1.00 0.00 N ATOM 137 CA PRO A 231 -0.997 -7.146 -6.832 1.00 0.00 C ATOM 138 C PRO A 231 -0.289 -6.071 -7.649 1.00 0.00 C ATOM 139 O PRO A 231 0.808 -6.290 -8.163 1.00 0.00 O ATOM 140 CB PRO A 231 -0.563 -7.076 -5.366 1.00 0.00 C ATOM 141 CG PRO A 231 0.540 -8.070 -5.249 1.00 0.00 C ATOM 142 CD PRO A 231 0.205 -9.175 -6.212 1.00 0.00 C ATOM 0 HA PRO A 231 -2.061 -6.964 -6.985 1.00 0.00 H new ATOM 0 HB2 PRO A 231 -0.223 -6.075 -5.101 1.00 0.00 H new ATOM 0 HB3 PRO A 231 -1.388 -7.320 -4.697 1.00 0.00 H new ATOM 0 HG2 PRO A 231 1.501 -7.617 -5.493 1.00 0.00 H new ATOM 0 HG3 PRO A 231 0.617 -8.450 -4.230 1.00 0.00 H new ATOM 0 HD2 PRO A 231 1.103 -9.620 -6.641 1.00 0.00 H new ATOM 0 HD3 PRO A 231 -0.348 -9.978 -5.725 1.00 0.00 H new ATOM 150 N HIS A 232 -0.923 -4.908 -7.765 1.00 0.00 N ATOM 151 CA HIS A 232 -0.353 -3.798 -8.519 1.00 0.00 C ATOM 152 C HIS A 232 0.913 -3.277 -7.846 1.00 0.00 C ATOM 153 O HIS A 232 0.868 -2.772 -6.724 1.00 0.00 O ATOM 154 CB HIS A 232 -1.374 -2.668 -8.655 1.00 0.00 C ATOM 155 CG HIS A 232 -2.587 -3.049 -9.446 1.00 0.00 C ATOM 156 ND1 HIS A 232 -2.559 -3.277 -10.806 1.00 0.00 N ATOM 157 CD2 HIS A 232 -3.870 -3.244 -9.060 1.00 0.00 C ATOM 158 CE1 HIS A 232 -3.772 -3.594 -11.222 1.00 0.00 C ATOM 159 NE2 HIS A 232 -4.586 -3.582 -10.182 1.00 0.00 N ATOM 0 H HIS A 232 -1.832 -4.710 -7.346 1.00 0.00 H new ATOM 0 HA HIS A 232 -0.092 -4.163 -9.512 1.00 0.00 H new ATOM 0 HB2 HIS A 232 -1.685 -2.348 -7.660 1.00 0.00 H new ATOM 0 HB3 HIS A 232 -0.895 -1.812 -9.130 1.00 0.00 H new ATOM 0 HD2 HIS A 232 -4.258 -3.151 -8.056 1.00 0.00 H new ATOM 0 HE1 HIS A 232 -4.051 -3.824 -12.240 1.00 0.00 H new ATOM 0 HE2 HIS A 232 -5.584 -3.790 -10.208 1.00 0.00 H new ATOM 167 N ARG A 233 2.041 -3.405 -8.537 1.00 0.00 N ATOM 168 CA ARG A 233 3.319 -2.949 -8.005 1.00 0.00 C ATOM 169 C ARG A 233 3.406 -1.426 -8.029 1.00 0.00 C ATOM 170 O ARG A 233 4.232 -0.851 -8.739 1.00 0.00 O ATOM 171 CB ARG A 233 4.474 -3.549 -8.809 1.00 0.00 C ATOM 172 CG ARG A 233 4.558 -5.064 -8.716 1.00 0.00 C ATOM 173 CD ARG A 233 5.771 -5.601 -9.460 1.00 0.00 C ATOM 174 NE ARG A 233 6.114 -6.957 -9.041 1.00 0.00 N ATOM 175 CZ ARG A 233 5.535 -8.047 -9.533 1.00 0.00 C ATOM 176 NH1 ARG A 233 4.591 -7.939 -10.458 1.00 0.00 N ATOM 177 NH2 ARG A 233 5.901 -9.247 -9.102 1.00 0.00 N ATOM 0 H ARG A 233 2.096 -3.821 -9.467 1.00 0.00 H new ATOM 0 HA ARG A 233 3.393 -3.284 -6.970 1.00 0.00 H new ATOM 0 HB2 ARG A 233 4.364 -3.263 -9.855 1.00 0.00 H new ATOM 0 HB3 ARG A 233 5.412 -3.119 -8.458 1.00 0.00 H new ATOM 0 HG2 ARG A 233 4.610 -5.363 -7.669 1.00 0.00 H new ATOM 0 HG3 ARG A 233 3.651 -5.506 -9.129 1.00 0.00 H new ATOM 0 HD2 ARG A 233 5.572 -5.592 -10.532 1.00 0.00 H new ATOM 0 HD3 ARG A 233 6.622 -4.942 -9.288 1.00 0.00 H new ATOM 0 HE ARG A 233 6.838 -7.074 -8.332 1.00 0.00 H new ATOM 0 HH11 ARG A 233 4.308 -7.018 -10.793 1.00 0.00 H new ATOM 0 HH12 ARG A 233 4.148 -8.777 -10.835 1.00 0.00 H new ATOM 0 HH21 ARG A 233 6.628 -9.334 -8.392 1.00 0.00 H new ATOM 0 HH22 ARG A 233 5.455 -10.083 -9.481 1.00 0.00 H new ATOM 191 N PHE A 234 2.549 -0.777 -7.248 1.00 0.00 N ATOM 192 CA PHE A 234 2.527 0.680 -7.181 1.00 0.00 C ATOM 193 C PHE A 234 3.797 1.213 -6.523 1.00 0.00 C ATOM 194 O PHE A 234 4.150 0.813 -5.413 1.00 0.00 O ATOM 195 CB PHE A 234 1.298 1.158 -6.405 1.00 0.00 C ATOM 196 CG PHE A 234 0.003 0.917 -7.126 1.00 0.00 C ATOM 197 CD1 PHE A 234 -0.190 1.397 -8.411 1.00 0.00 C ATOM 198 CD2 PHE A 234 -1.022 0.209 -6.519 1.00 0.00 C ATOM 199 CE1 PHE A 234 -1.381 1.178 -9.077 1.00 0.00 C ATOM 200 CE2 PHE A 234 -2.215 -0.015 -7.180 1.00 0.00 C ATOM 201 CZ PHE A 234 -2.394 0.470 -8.461 1.00 0.00 C ATOM 0 H PHE A 234 1.860 -1.237 -6.652 1.00 0.00 H new ATOM 0 HA PHE A 234 2.477 1.065 -8.200 1.00 0.00 H new ATOM 0 HB2 PHE A 234 1.267 0.651 -5.441 1.00 0.00 H new ATOM 0 HB3 PHE A 234 1.399 2.224 -6.202 1.00 0.00 H new ATOM 0 HD1 PHE A 234 0.600 1.949 -8.898 1.00 0.00 H new ATOM 0 HD2 PHE A 234 -0.887 -0.172 -5.518 1.00 0.00 H new ATOM 0 HE1 PHE A 234 -1.519 1.560 -10.078 1.00 0.00 H new ATOM 0 HE2 PHE A 234 -3.006 -0.568 -6.696 1.00 0.00 H new ATOM 0 HZ PHE A 234 -3.325 0.296 -8.980 1.00 0.00 H new ATOM 211 N LYS A 235 4.480 2.117 -7.216 1.00 0.00 N ATOM 212 CA LYS A 235 5.710 2.707 -6.701 1.00 0.00 C ATOM 213 C LYS A 235 5.639 4.230 -6.736 1.00 0.00 C ATOM 214 O LYS A 235 5.135 4.817 -7.693 1.00 0.00 O ATOM 215 CB LYS A 235 6.912 2.223 -7.515 1.00 0.00 C ATOM 216 CG LYS A 235 7.529 0.940 -6.985 1.00 0.00 C ATOM 217 CD LYS A 235 6.849 -0.288 -7.567 1.00 0.00 C ATOM 218 CE LYS A 235 7.688 -1.540 -7.362 1.00 0.00 C ATOM 219 NZ LYS A 235 9.095 -1.343 -7.806 1.00 0.00 N ATOM 0 H LYS A 235 4.203 2.458 -8.137 1.00 0.00 H new ATOM 0 HA LYS A 235 5.829 2.390 -5.665 1.00 0.00 H new ATOM 0 HB2 LYS A 235 6.601 2.067 -8.548 1.00 0.00 H new ATOM 0 HB3 LYS A 235 7.672 3.005 -7.525 1.00 0.00 H new ATOM 0 HG2 LYS A 235 8.591 0.918 -7.228 1.00 0.00 H new ATOM 0 HG3 LYS A 235 7.451 0.920 -5.898 1.00 0.00 H new ATOM 0 HD2 LYS A 235 5.874 -0.422 -7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 235 6.673 -0.137 -8.632 1.00 0.00 H new ATOM 0 HE2 LYS A 235 7.675 -1.817 -6.308 1.00 0.00 H new ATOM 0 HE3 LYS A 235 7.245 -2.368 -7.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 235 9.529 -2.267 -8.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 235 9.109 -0.761 -8.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 235 9.632 -0.864 -7.055 1.00 0.00 H new ATOM 233 N VAL A 236 6.149 4.866 -5.685 1.00 0.00 N ATOM 234 CA VAL A 236 6.146 6.321 -5.597 1.00 0.00 C ATOM 235 C VAL A 236 6.936 6.943 -6.744 1.00 0.00 C ATOM 236 O VAL A 236 8.056 6.525 -7.038 1.00 0.00 O ATOM 237 CB VAL A 236 6.738 6.804 -4.260 1.00 0.00 C ATOM 238 CG1 VAL A 236 6.830 8.322 -4.233 1.00 0.00 C ATOM 239 CG2 VAL A 236 5.907 6.291 -3.094 1.00 0.00 C ATOM 0 H VAL A 236 6.569 4.396 -4.883 1.00 0.00 H new ATOM 0 HA VAL A 236 5.106 6.639 -5.661 1.00 0.00 H new ATOM 0 HB VAL A 236 7.746 6.402 -4.163 1.00 0.00 H new ATOM 0 HG11 VAL A 236 7.251 8.644 -3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 236 7.471 8.662 -5.046 1.00 0.00 H new ATOM 0 HG13 VAL A 236 5.834 8.749 -4.353 1.00 0.00 H new ATOM 0 HG21 VAL A 236 6.339 6.642 -2.157 1.00 0.00 H new ATOM 0 HG22 VAL A 236 4.886 6.662 -3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 236 5.899 5.201 -3.105 1.00 0.00 H new ATOM 249 N TYR A 237 6.345 7.944 -7.387 1.00 0.00 N ATOM 250 CA TYR A 237 6.992 8.623 -8.503 1.00 0.00 C ATOM 251 C TYR A 237 6.575 10.089 -8.565 1.00 0.00 C ATOM 252 O TYR A 237 5.504 10.461 -8.089 1.00 0.00 O ATOM 253 CB TYR A 237 6.645 7.927 -9.821 1.00 0.00 C ATOM 254 CG TYR A 237 7.231 8.607 -11.037 1.00 0.00 C ATOM 255 CD1 TYR A 237 8.602 8.802 -11.156 1.00 0.00 C ATOM 256 CD2 TYR A 237 6.415 9.057 -12.067 1.00 0.00 C ATOM 257 CE1 TYR A 237 9.142 9.423 -12.265 1.00 0.00 C ATOM 258 CE2 TYR A 237 6.946 9.678 -13.181 1.00 0.00 C ATOM 259 CZ TYR A 237 8.310 9.859 -13.275 1.00 0.00 C ATOM 260 OH TYR A 237 8.843 10.479 -14.382 1.00 0.00 O ATOM 0 H TYR A 237 5.419 8.303 -7.154 1.00 0.00 H new ATOM 0 HA TYR A 237 8.070 8.577 -8.347 1.00 0.00 H new ATOM 0 HB2 TYR A 237 7.002 6.898 -9.784 1.00 0.00 H new ATOM 0 HB3 TYR A 237 5.561 7.885 -9.926 1.00 0.00 H new ATOM 0 HD1 TYR A 237 9.257 8.462 -10.367 1.00 0.00 H new ATOM 0 HD2 TYR A 237 5.346 8.919 -11.996 1.00 0.00 H new ATOM 0 HE1 TYR A 237 10.210 9.566 -12.341 1.00 0.00 H new ATOM 0 HE2 TYR A 237 6.297 10.020 -13.974 1.00 0.00 H new ATOM 0 HH TYR A 237 8.122 10.723 -14.999 1.00 0.00 H new ATOM 270 N ASN A 238 7.432 10.916 -9.155 1.00 0.00 N ATOM 271 CA ASN A 238 7.154 12.343 -9.280 1.00 0.00 C ATOM 272 C ASN A 238 6.334 12.629 -10.534 1.00 0.00 C ATOM 273 O ASN A 238 6.692 12.206 -11.633 1.00 0.00 O ATOM 274 CB ASN A 238 8.461 13.137 -9.319 1.00 0.00 C ATOM 275 CG ASN A 238 9.043 13.223 -10.717 1.00 0.00 C ATOM 276 OD1 ASN A 238 8.730 14.140 -11.476 1.00 0.00 O ATOM 277 ND2 ASN A 238 9.896 12.265 -11.062 1.00 0.00 N ATOM 0 H ASN A 238 8.324 10.623 -9.554 1.00 0.00 H new ATOM 0 HA ASN A 238 6.575 12.653 -8.410 1.00 0.00 H new ATOM 0 HB2 ASN A 238 8.283 14.143 -8.940 1.00 0.00 H new ATOM 0 HB3 ASN A 238 9.187 12.669 -8.654 1.00 0.00 H new ATOM 0 HD21 ASN A 238 10.321 12.270 -11.989 1.00 0.00 H new ATOM 0 HD22 ASN A 238 10.126 11.524 -10.400 1.00 0.00 H new ATOM 284 N TYR A 239 5.232 13.351 -10.361 1.00 0.00 N ATOM 285 CA TYR A 239 4.360 13.693 -11.478 1.00 0.00 C ATOM 286 C TYR A 239 4.495 15.169 -11.843 1.00 0.00 C ATOM 287 O TYR A 239 4.181 16.050 -11.043 1.00 0.00 O ATOM 288 CB TYR A 239 2.904 13.373 -11.133 1.00 0.00 C ATOM 289 CG TYR A 239 2.616 11.892 -11.039 1.00 0.00 C ATOM 290 CD1 TYR A 239 3.002 11.159 -9.924 1.00 0.00 C ATOM 291 CD2 TYR A 239 1.958 11.226 -12.065 1.00 0.00 C ATOM 292 CE1 TYR A 239 2.742 9.805 -9.834 1.00 0.00 C ATOM 293 CE2 TYR A 239 1.692 9.873 -11.983 1.00 0.00 C ATOM 294 CZ TYR A 239 2.086 9.167 -10.866 1.00 0.00 C ATOM 295 OH TYR A 239 1.824 7.818 -10.781 1.00 0.00 O ATOM 0 H TYR A 239 4.922 13.710 -9.458 1.00 0.00 H new ATOM 0 HA TYR A 239 4.663 13.095 -12.338 1.00 0.00 H new ATOM 0 HB2 TYR A 239 2.652 13.845 -10.183 1.00 0.00 H new ATOM 0 HB3 TYR A 239 2.255 13.814 -11.890 1.00 0.00 H new ATOM 0 HD1 TYR A 239 3.514 11.656 -9.113 1.00 0.00 H new ATOM 0 HD2 TYR A 239 1.649 11.775 -12.942 1.00 0.00 H new ATOM 0 HE1 TYR A 239 3.051 9.249 -8.961 1.00 0.00 H new ATOM 0 HE2 TYR A 239 1.178 9.371 -12.789 1.00 0.00 H new ATOM 0 HH TYR A 239 1.689 7.454 -11.681 1.00 0.00 H new ATOM 305 N LYS A 240 4.964 15.430 -13.059 1.00 0.00 N ATOM 306 CA LYS A 240 5.140 16.797 -13.533 1.00 0.00 C ATOM 307 C LYS A 240 3.898 17.279 -14.277 1.00 0.00 C ATOM 308 O LYS A 240 3.979 18.158 -15.135 1.00 0.00 O ATOM 309 CB LYS A 240 6.363 16.888 -14.449 1.00 0.00 C ATOM 310 CG LYS A 240 7.671 16.559 -13.750 1.00 0.00 C ATOM 311 CD LYS A 240 8.868 17.054 -14.545 1.00 0.00 C ATOM 312 CE LYS A 240 10.177 16.712 -13.852 1.00 0.00 C ATOM 313 NZ LYS A 240 10.091 16.902 -12.377 1.00 0.00 N ATOM 0 H LYS A 240 5.229 14.712 -13.734 1.00 0.00 H new ATOM 0 HA LYS A 240 5.295 17.439 -12.665 1.00 0.00 H new ATOM 0 HB2 LYS A 240 6.229 16.207 -15.290 1.00 0.00 H new ATOM 0 HB3 LYS A 240 6.424 17.895 -14.861 1.00 0.00 H new ATOM 0 HG2 LYS A 240 7.679 17.012 -12.759 1.00 0.00 H new ATOM 0 HG3 LYS A 240 7.748 15.481 -13.608 1.00 0.00 H new ATOM 0 HD2 LYS A 240 8.855 16.609 -15.540 1.00 0.00 H new ATOM 0 HD3 LYS A 240 8.797 18.134 -14.678 1.00 0.00 H new ATOM 0 HE2 LYS A 240 10.444 15.678 -14.070 1.00 0.00 H new ATOM 0 HE3 LYS A 240 10.974 17.338 -14.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 11.050 16.959 -11.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 9.576 17.782 -12.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 9.587 16.098 -11.952 1.00 0.00 H new ATOM 327 N SER A 241 2.750 16.699 -13.941 1.00 0.00 N ATOM 328 CA SER A 241 1.492 17.068 -14.579 1.00 0.00 C ATOM 329 C SER A 241 0.310 16.427 -13.859 1.00 0.00 C ATOM 330 O SER A 241 0.441 15.407 -13.183 1.00 0.00 O ATOM 331 CB SER A 241 1.499 16.646 -16.050 1.00 0.00 C ATOM 332 OG SER A 241 2.105 17.636 -16.862 1.00 0.00 O ATOM 0 H SER A 241 2.665 15.972 -13.231 1.00 0.00 H new ATOM 0 HA SER A 241 1.386 18.151 -14.520 1.00 0.00 H new ATOM 0 HB2 SER A 241 2.036 15.704 -16.159 1.00 0.00 H new ATOM 0 HB3 SER A 241 0.477 16.471 -16.386 1.00 0.00 H new ATOM 0 HG SER A 241 2.865 18.030 -16.385 1.00 0.00 H new ATOM 338 N PRO A 242 -0.874 17.040 -14.007 1.00 0.00 N ATOM 339 CA PRO A 242 -2.104 16.547 -13.380 1.00 0.00 C ATOM 340 C PRO A 242 -2.591 15.243 -14.002 1.00 0.00 C ATOM 341 O PRO A 242 -2.547 15.070 -15.221 1.00 0.00 O ATOM 342 CB PRO A 242 -3.110 17.672 -13.640 1.00 0.00 C ATOM 343 CG PRO A 242 -2.603 18.358 -14.861 1.00 0.00 C ATOM 344 CD PRO A 242 -1.104 18.260 -14.799 1.00 0.00 C ATOM 0 HA PRO A 242 -1.960 16.320 -12.324 1.00 0.00 H new ATOM 0 HB2 PRO A 242 -4.114 17.277 -13.796 1.00 0.00 H new ATOM 0 HB3 PRO A 242 -3.165 18.358 -12.794 1.00 0.00 H new ATOM 0 HG2 PRO A 242 -2.988 17.883 -15.764 1.00 0.00 H new ATOM 0 HG3 PRO A 242 -2.925 19.399 -14.886 1.00 0.00 H new ATOM 0 HD2 PRO A 242 -0.665 18.182 -15.794 1.00 0.00 H new ATOM 0 HD3 PRO A 242 -0.663 19.136 -14.324 1.00 0.00 H new ATOM 352 N THR A 243 -3.055 14.327 -13.158 1.00 0.00 N ATOM 353 CA THR A 243 -3.549 13.038 -13.625 1.00 0.00 C ATOM 354 C THR A 243 -4.806 12.624 -12.870 1.00 0.00 C ATOM 355 O THR A 243 -5.075 13.118 -11.774 1.00 0.00 O ATOM 356 CB THR A 243 -2.483 11.937 -13.467 1.00 0.00 C ATOM 357 OG1 THR A 243 -1.809 12.084 -12.213 1.00 0.00 O ATOM 358 CG2 THR A 243 -1.472 11.996 -14.602 1.00 0.00 C ATOM 0 H THR A 243 -3.099 14.454 -12.147 1.00 0.00 H new ATOM 0 HA THR A 243 -3.786 13.155 -14.682 1.00 0.00 H new ATOM 0 HB THR A 243 -2.984 10.970 -13.498 1.00 0.00 H new ATOM 0 HG1 THR A 243 -1.102 11.409 -12.140 1.00 0.00 H new ATOM 0 HG21 THR A 243 -0.729 11.209 -14.469 1.00 0.00 H new ATOM 0 HG22 THR A 243 -1.984 11.854 -15.553 1.00 0.00 H new ATOM 0 HG23 THR A 243 -0.977 12.967 -14.598 1.00 0.00 H new ATOM 366 N PHE A 244 -5.574 11.714 -13.461 1.00 0.00 N ATOM 367 CA PHE A 244 -6.804 11.234 -12.843 1.00 0.00 C ATOM 368 C PHE A 244 -6.626 9.818 -12.305 1.00 0.00 C ATOM 369 O PHE A 244 -5.915 9.002 -12.894 1.00 0.00 O ATOM 370 CB PHE A 244 -7.954 11.268 -13.852 1.00 0.00 C ATOM 371 CG PHE A 244 -8.547 12.635 -14.039 1.00 0.00 C ATOM 372 CD1 PHE A 244 -7.797 13.661 -14.592 1.00 0.00 C ATOM 373 CD2 PHE A 244 -9.855 12.894 -13.663 1.00 0.00 C ATOM 374 CE1 PHE A 244 -8.341 14.920 -14.764 1.00 0.00 C ATOM 375 CE2 PHE A 244 -10.405 14.151 -13.834 1.00 0.00 C ATOM 376 CZ PHE A 244 -9.646 15.165 -14.386 1.00 0.00 C ATOM 0 H PHE A 244 -5.366 11.294 -14.367 1.00 0.00 H new ATOM 0 HA PHE A 244 -7.043 11.893 -12.008 1.00 0.00 H new ATOM 0 HB2 PHE A 244 -7.594 10.902 -14.814 1.00 0.00 H new ATOM 0 HB3 PHE A 244 -8.736 10.583 -13.523 1.00 0.00 H new ATOM 0 HD1 PHE A 244 -6.776 13.475 -14.892 1.00 0.00 H new ATOM 0 HD2 PHE A 244 -10.452 12.105 -13.231 1.00 0.00 H new ATOM 0 HE1 PHE A 244 -7.745 15.712 -15.194 1.00 0.00 H new ATOM 0 HE2 PHE A 244 -11.426 14.340 -13.537 1.00 0.00 H new ATOM 0 HZ PHE A 244 -10.073 16.148 -14.522 1.00 0.00 H new ATOM 386 N CYS A 245 -7.276 9.531 -11.182 1.00 0.00 N ATOM 387 CA CYS A 245 -7.190 8.214 -10.562 1.00 0.00 C ATOM 388 C CYS A 245 -8.039 7.199 -11.322 1.00 0.00 C ATOM 389 O CYS A 245 -9.248 7.374 -11.470 1.00 0.00 O ATOM 390 CB CYS A 245 -7.643 8.284 -9.103 1.00 0.00 C ATOM 391 SG CYS A 245 -7.029 6.916 -8.068 1.00 0.00 S ATOM 0 H CYS A 245 -7.869 10.194 -10.682 1.00 0.00 H new ATOM 0 HA CYS A 245 -6.150 7.890 -10.597 1.00 0.00 H new ATOM 0 HB2 CYS A 245 -7.308 9.229 -8.674 1.00 0.00 H new ATOM 0 HB3 CYS A 245 -8.733 8.289 -9.072 1.00 0.00 H new ATOM 0 HG CYS A 245 -6.879 5.852 -8.800 1.00 0.00 H new ATOM 396 N GLU A 246 -7.396 6.139 -11.802 1.00 0.00 N ATOM 397 CA GLU A 246 -8.092 5.096 -12.547 1.00 0.00 C ATOM 398 C GLU A 246 -8.883 4.192 -11.606 1.00 0.00 C ATOM 399 O GLU A 246 -9.455 3.187 -12.029 1.00 0.00 O ATOM 400 CB GLU A 246 -7.094 4.263 -13.354 1.00 0.00 C ATOM 401 CG GLU A 246 -6.654 4.926 -14.648 1.00 0.00 C ATOM 402 CD GLU A 246 -6.256 3.922 -15.712 1.00 0.00 C ATOM 403 OE1 GLU A 246 -6.290 2.707 -15.425 1.00 0.00 O ATOM 404 OE2 GLU A 246 -5.912 4.352 -16.833 1.00 0.00 O ATOM 0 H GLU A 246 -6.395 5.980 -11.688 1.00 0.00 H new ATOM 0 HA GLU A 246 -8.790 5.578 -13.232 1.00 0.00 H new ATOM 0 HB2 GLU A 246 -6.216 4.067 -12.739 1.00 0.00 H new ATOM 0 HB3 GLU A 246 -7.543 3.297 -13.585 1.00 0.00 H new ATOM 0 HG2 GLU A 246 -7.464 5.549 -15.027 1.00 0.00 H new ATOM 0 HG3 GLU A 246 -5.812 5.588 -14.445 1.00 0.00 H new ATOM 411 N HIS A 247 -8.911 4.557 -10.328 1.00 0.00 N ATOM 412 CA HIS A 247 -9.632 3.779 -9.327 1.00 0.00 C ATOM 413 C HIS A 247 -10.867 4.531 -8.840 1.00 0.00 C ATOM 414 O HIS A 247 -11.996 4.181 -9.184 1.00 0.00 O ATOM 415 CB HIS A 247 -8.718 3.457 -8.145 1.00 0.00 C ATOM 416 CG HIS A 247 -9.447 2.919 -6.952 1.00 0.00 C ATOM 417 ND1 HIS A 247 -9.726 1.580 -6.781 1.00 0.00 N ATOM 418 CD2 HIS A 247 -9.955 3.549 -5.867 1.00 0.00 C ATOM 419 CE1 HIS A 247 -10.374 1.409 -5.643 1.00 0.00 C ATOM 420 NE2 HIS A 247 -10.526 2.588 -5.069 1.00 0.00 N ATOM 0 H HIS A 247 -8.443 5.386 -9.962 1.00 0.00 H new ATOM 0 HA HIS A 247 -9.955 2.847 -9.791 1.00 0.00 H new ATOM 0 HB2 HIS A 247 -7.971 2.730 -8.462 1.00 0.00 H new ATOM 0 HB3 HIS A 247 -8.181 4.360 -7.855 1.00 0.00 H new ATOM 0 HD2 HIS A 247 -9.918 4.610 -5.666 1.00 0.00 H new ATOM 0 HE1 HIS A 247 -10.721 0.465 -5.249 1.00 0.00 H new ATOM 0 HE2 HIS A 247 -10.992 2.758 -4.178 1.00 0.00 H new ATOM 428 N CYS A 248 -10.645 5.567 -8.038 1.00 0.00 N ATOM 429 CA CYS A 248 -11.738 6.369 -7.502 1.00 0.00 C ATOM 430 C CYS A 248 -12.306 7.297 -8.572 1.00 0.00 C ATOM 431 O CYS A 248 -13.504 7.577 -8.593 1.00 0.00 O ATOM 432 CB CYS A 248 -11.257 7.189 -6.303 1.00 0.00 C ATOM 433 SG CYS A 248 -10.043 8.480 -6.724 1.00 0.00 S ATOM 0 H CYS A 248 -9.717 5.871 -7.745 1.00 0.00 H new ATOM 0 HA CYS A 248 -12.527 5.691 -7.177 1.00 0.00 H new ATOM 0 HB2 CYS A 248 -12.119 7.657 -5.827 1.00 0.00 H new ATOM 0 HB3 CYS A 248 -10.815 6.515 -5.569 1.00 0.00 H new ATOM 0 HG CYS A 248 -8.905 7.926 -7.020 1.00 0.00 H new ATOM 438 N GLY A 249 -11.437 7.772 -9.459 1.00 0.00 N ATOM 439 CA GLY A 249 -11.870 8.663 -10.519 1.00 0.00 C ATOM 440 C GLY A 249 -11.863 10.117 -10.093 1.00 0.00 C ATOM 441 O GLY A 249 -12.797 10.864 -10.387 1.00 0.00 O ATOM 0 H GLY A 249 -10.440 7.555 -9.462 1.00 0.00 H new ATOM 0 HA2 GLY A 249 -11.218 8.538 -11.384 1.00 0.00 H new ATOM 0 HA3 GLY A 249 -12.875 8.385 -10.835 1.00 0.00 H new ATOM 445 N THR A 250 -10.806 10.523 -9.396 1.00 0.00 N ATOM 446 CA THR A 250 -10.681 11.897 -8.926 1.00 0.00 C ATOM 447 C THR A 250 -9.250 12.400 -9.071 1.00 0.00 C ATOM 448 O THR A 250 -8.295 11.677 -8.782 1.00 0.00 O ATOM 449 CB THR A 250 -11.113 12.028 -7.453 1.00 0.00 C ATOM 450 OG1 THR A 250 -10.188 11.335 -6.608 1.00 0.00 O ATOM 451 CG2 THR A 250 -12.513 11.469 -7.248 1.00 0.00 C ATOM 0 H THR A 250 -10.024 9.919 -9.144 1.00 0.00 H new ATOM 0 HA THR A 250 -11.341 12.504 -9.546 1.00 0.00 H new ATOM 0 HB THR A 250 -11.120 13.086 -7.192 1.00 0.00 H new ATOM 0 HG1 THR A 250 -10.023 10.439 -6.969 1.00 0.00 H new ATOM 0 HG21 THR A 250 -12.796 11.572 -6.201 1.00 0.00 H new ATOM 0 HG22 THR A 250 -13.219 12.018 -7.871 1.00 0.00 H new ATOM 0 HG23 THR A 250 -12.528 10.415 -7.526 1.00 0.00 H new ATOM 459 N LEU A 251 -9.107 13.642 -9.518 1.00 0.00 N ATOM 460 CA LEU A 251 -7.790 14.243 -9.700 1.00 0.00 C ATOM 461 C LEU A 251 -6.817 13.756 -8.632 1.00 0.00 C ATOM 462 O LEU A 251 -7.205 13.508 -7.489 1.00 0.00 O ATOM 463 CB LEU A 251 -7.893 15.769 -9.656 1.00 0.00 C ATOM 464 CG LEU A 251 -8.159 16.463 -10.992 1.00 0.00 C ATOM 465 CD1 LEU A 251 -8.678 17.874 -10.766 1.00 0.00 C ATOM 466 CD2 LEU A 251 -6.896 16.487 -11.841 1.00 0.00 C ATOM 0 H LEU A 251 -9.887 14.253 -9.761 1.00 0.00 H new ATOM 0 HA LEU A 251 -7.411 13.939 -10.676 1.00 0.00 H new ATOM 0 HB2 LEU A 251 -8.691 16.039 -8.964 1.00 0.00 H new ATOM 0 HB3 LEU A 251 -6.965 16.164 -9.243 1.00 0.00 H new ATOM 0 HG LEU A 251 -8.922 15.898 -11.527 1.00 0.00 H new ATOM 0 HD11 LEU A 251 -8.862 18.353 -11.728 1.00 0.00 H new ATOM 0 HD12 LEU A 251 -9.607 17.833 -10.198 1.00 0.00 H new ATOM 0 HD13 LEU A 251 -7.938 18.449 -10.210 1.00 0.00 H new ATOM 0 HD21 LEU A 251 -7.104 16.985 -12.788 1.00 0.00 H new ATOM 0 HD22 LEU A 251 -6.112 17.028 -11.311 1.00 0.00 H new ATOM 0 HD23 LEU A 251 -6.567 15.466 -12.032 1.00 0.00 H new ATOM 478 N LEU A 252 -5.550 13.624 -9.009 1.00 0.00 N ATOM 479 CA LEU A 252 -4.519 13.169 -8.082 1.00 0.00 C ATOM 480 C LEU A 252 -3.813 14.353 -7.429 1.00 0.00 C ATOM 481 O LEU A 252 -3.234 15.197 -8.113 1.00 0.00 O ATOM 482 CB LEU A 252 -3.500 12.292 -8.812 1.00 0.00 C ATOM 483 CG LEU A 252 -3.998 10.919 -9.264 1.00 0.00 C ATOM 484 CD1 LEU A 252 -2.895 10.164 -9.990 1.00 0.00 C ATOM 485 CD2 LEU A 252 -4.502 10.116 -8.074 1.00 0.00 C ATOM 0 H LEU A 252 -5.212 13.825 -9.950 1.00 0.00 H new ATOM 0 HA LEU A 252 -5.001 12.581 -7.301 1.00 0.00 H new ATOM 0 HB2 LEU A 252 -3.146 12.834 -9.689 1.00 0.00 H new ATOM 0 HB3 LEU A 252 -2.640 12.147 -8.158 1.00 0.00 H new ATOM 0 HG LEU A 252 -4.827 11.064 -9.956 1.00 0.00 H new ATOM 0 HD11 LEU A 252 -3.268 9.189 -10.304 1.00 0.00 H new ATOM 0 HD12 LEU A 252 -2.581 10.732 -10.866 1.00 0.00 H new ATOM 0 HD13 LEU A 252 -2.045 10.029 -9.321 1.00 0.00 H new ATOM 0 HD21 LEU A 252 -4.852 9.142 -8.415 1.00 0.00 H new ATOM 0 HD22 LEU A 252 -3.692 9.980 -7.357 1.00 0.00 H new ATOM 0 HD23 LEU A 252 -5.323 10.650 -7.596 1.00 0.00 H new ATOM 497 N TRP A 253 -3.864 14.407 -6.103 1.00 0.00 N ATOM 498 CA TRP A 253 -3.227 15.486 -5.358 1.00 0.00 C ATOM 499 C TRP A 253 -1.915 15.019 -4.737 1.00 0.00 C ATOM 500 O TRP A 253 -1.767 13.852 -4.379 1.00 0.00 O ATOM 501 CB TRP A 253 -4.166 16.003 -4.266 1.00 0.00 C ATOM 502 CG TRP A 253 -3.764 17.340 -3.721 1.00 0.00 C ATOM 503 CD1 TRP A 253 -3.002 17.578 -2.612 1.00 0.00 C ATOM 504 CD2 TRP A 253 -4.104 18.623 -4.259 1.00 0.00 C ATOM 505 NE1 TRP A 253 -2.849 18.931 -2.428 1.00 0.00 N ATOM 506 CE2 TRP A 253 -3.514 19.593 -3.426 1.00 0.00 C ATOM 507 CE3 TRP A 253 -4.847 19.045 -5.364 1.00 0.00 C ATOM 508 CZ2 TRP A 253 -3.647 20.959 -3.664 1.00 0.00 C ATOM 509 CZ3 TRP A 253 -4.978 20.401 -5.599 1.00 0.00 C ATOM 510 CH2 TRP A 253 -4.380 21.344 -4.753 1.00 0.00 C ATOM 0 H TRP A 253 -4.340 13.717 -5.522 1.00 0.00 H new ATOM 0 HA TRP A 253 -3.010 16.296 -6.055 1.00 0.00 H new ATOM 0 HB2 TRP A 253 -5.177 16.072 -4.668 1.00 0.00 H new ATOM 0 HB3 TRP A 253 -4.196 15.280 -3.451 1.00 0.00 H new ATOM 0 HD1 TRP A 253 -2.582 16.815 -1.974 1.00 0.00 H new ATOM 0 HE1 TRP A 253 -2.325 19.371 -1.671 1.00 0.00 H new ATOM 0 HE3 TRP A 253 -5.310 18.325 -6.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 253 -3.188 21.688 -3.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 253 -5.551 20.739 -6.450 1.00 0.00 H new ATOM 0 HH2 TRP A 253 -4.500 22.396 -4.965 1.00 0.00 H new ATOM 521 N GLY A 254 -0.963 15.940 -4.612 1.00 0.00 N ATOM 522 CA GLY A 254 0.325 15.602 -4.035 1.00 0.00 C ATOM 523 C GLY A 254 1.460 16.405 -4.638 1.00 0.00 C ATOM 524 O GLY A 254 1.346 16.912 -5.755 1.00 0.00 O ATOM 0 H GLY A 254 -1.061 16.914 -4.900 1.00 0.00 H new ATOM 0 HA2 GLY A 254 0.294 15.774 -2.959 1.00 0.00 H new ATOM 0 HA3 GLY A 254 0.518 14.539 -4.182 1.00 0.00 H new ATOM 528 N LEU A 255 2.557 16.523 -3.899 1.00 0.00 N ATOM 529 CA LEU A 255 3.718 17.272 -4.367 1.00 0.00 C ATOM 530 C LEU A 255 4.652 16.379 -5.178 1.00 0.00 C ATOM 531 O LEU A 255 4.781 16.539 -6.391 1.00 0.00 O ATOM 532 CB LEU A 255 4.473 17.874 -3.180 1.00 0.00 C ATOM 533 CG LEU A 255 3.990 19.244 -2.703 1.00 0.00 C ATOM 534 CD1 LEU A 255 2.809 19.094 -1.756 1.00 0.00 C ATOM 535 CD2 LEU A 255 5.123 20.004 -2.029 1.00 0.00 C ATOM 0 H LEU A 255 2.667 16.110 -2.973 1.00 0.00 H new ATOM 0 HA LEU A 255 3.365 18.077 -5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 255 4.410 17.177 -2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 255 5.526 17.955 -3.448 1.00 0.00 H new ATOM 0 HG LEU A 255 3.662 19.815 -3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 255 2.479 20.079 -1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 255 1.991 18.591 -2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 255 3.110 18.504 -0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 255 4.761 20.977 -1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 255 5.481 19.437 -1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 255 5.939 20.144 -2.738 1.00 0.00 H new ATOM 547 N ALA A 256 5.299 15.437 -4.499 1.00 0.00 N ATOM 548 CA ALA A 256 6.217 14.516 -5.157 1.00 0.00 C ATOM 549 C ALA A 256 5.661 13.096 -5.161 1.00 0.00 C ATOM 550 O ALA A 256 5.761 12.383 -6.159 1.00 0.00 O ATOM 551 CB ALA A 256 7.577 14.551 -4.477 1.00 0.00 C ATOM 0 H ALA A 256 5.204 15.292 -3.494 1.00 0.00 H new ATOM 0 HA ALA A 256 6.333 14.835 -6.193 1.00 0.00 H new ATOM 0 HB1 ALA A 256 8.253 13.858 -4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 256 7.985 15.560 -4.532 1.00 0.00 H new ATOM 0 HB3 ALA A 256 7.469 14.260 -3.432 1.00 0.00 H new ATOM 557 N ARG A 257 5.076 12.692 -4.038 1.00 0.00 N ATOM 558 CA ARG A 257 4.506 11.356 -3.912 1.00 0.00 C ATOM 559 C ARG A 257 3.128 11.289 -4.565 1.00 0.00 C ATOM 560 O ARG A 257 2.387 10.325 -4.373 1.00 0.00 O ATOM 561 CB ARG A 257 4.403 10.959 -2.438 1.00 0.00 C ATOM 562 CG ARG A 257 5.689 10.378 -1.873 1.00 0.00 C ATOM 563 CD ARG A 257 6.890 11.245 -2.217 1.00 0.00 C ATOM 564 NE ARG A 257 7.976 11.085 -1.253 1.00 0.00 N ATOM 565 CZ ARG A 257 8.014 11.705 -0.079 1.00 0.00 C ATOM 566 NH1 ARG A 257 7.032 12.522 0.274 1.00 0.00 N ATOM 567 NH2 ARG A 257 9.036 11.507 0.744 1.00 0.00 N ATOM 0 H ARG A 257 4.984 13.270 -3.203 1.00 0.00 H new ATOM 0 HA ARG A 257 5.167 10.657 -4.424 1.00 0.00 H new ATOM 0 HB2 ARG A 257 4.122 11.835 -1.853 1.00 0.00 H new ATOM 0 HB3 ARG A 257 3.602 10.228 -2.322 1.00 0.00 H new ATOM 0 HG2 ARG A 257 5.603 10.286 -0.790 1.00 0.00 H new ATOM 0 HG3 ARG A 257 5.840 9.373 -2.267 1.00 0.00 H new ATOM 0 HD2 ARG A 257 7.249 10.988 -3.213 1.00 0.00 H new ATOM 0 HD3 ARG A 257 6.585 12.291 -2.249 1.00 0.00 H new ATOM 0 HE ARG A 257 8.747 10.463 -1.495 1.00 0.00 H new ATOM 0 HH11 ARG A 257 6.245 12.676 -0.356 1.00 0.00 H new ATOM 0 HH12 ARG A 257 7.063 12.997 1.176 1.00 0.00 H new ATOM 0 HH21 ARG A 257 9.793 10.878 0.475 1.00 0.00 H new ATOM 0 HH22 ARG A 257 9.065 11.983 1.645 1.00 0.00 H new ATOM 581 N GLN A 258 2.793 12.319 -5.335 1.00 0.00 N ATOM 582 CA GLN A 258 1.504 12.377 -6.014 1.00 0.00 C ATOM 583 C GLN A 258 1.091 10.997 -6.517 1.00 0.00 C ATOM 584 O GLN A 258 1.466 10.589 -7.616 1.00 0.00 O ATOM 585 CB GLN A 258 1.563 13.362 -7.182 1.00 0.00 C ATOM 586 CG GLN A 258 0.209 13.940 -7.560 1.00 0.00 C ATOM 587 CD GLN A 258 0.276 14.836 -8.782 1.00 0.00 C ATOM 588 OE1 GLN A 258 0.200 14.365 -9.916 1.00 0.00 O ATOM 589 NE2 GLN A 258 0.421 16.136 -8.555 1.00 0.00 N ATOM 0 H GLN A 258 3.396 13.124 -5.504 1.00 0.00 H new ATOM 0 HA GLN A 258 0.759 12.720 -5.296 1.00 0.00 H new ATOM 0 HB2 GLN A 258 2.238 14.178 -6.924 1.00 0.00 H new ATOM 0 HB3 GLN A 258 1.989 12.858 -8.050 1.00 0.00 H new ATOM 0 HG2 GLN A 258 -0.489 13.125 -7.750 1.00 0.00 H new ATOM 0 HG3 GLN A 258 -0.186 14.509 -6.719 1.00 0.00 H new ATOM 0 HE21 GLN A 258 0.480 16.483 -7.598 1.00 0.00 H new ATOM 0 HE22 GLN A 258 0.474 16.788 -9.338 1.00 0.00 H new ATOM 598 N GLY A 259 0.318 10.283 -5.705 1.00 0.00 N ATOM 599 CA GLY A 259 -0.132 8.957 -6.086 1.00 0.00 C ATOM 600 C GLY A 259 1.020 8.008 -6.350 1.00 0.00 C ATOM 601 O GLY A 259 2.178 8.336 -6.089 1.00 0.00 O ATOM 0 H GLY A 259 -0.005 10.599 -4.790 1.00 0.00 H new ATOM 0 HA2 GLY A 259 -0.761 8.549 -5.295 1.00 0.00 H new ATOM 0 HA3 GLY A 259 -0.751 9.030 -6.980 1.00 0.00 H new ATOM 605 N LEU A 260 0.703 6.826 -6.868 1.00 0.00 N ATOM 606 CA LEU A 260 1.721 5.824 -7.167 1.00 0.00 C ATOM 607 C LEU A 260 1.549 5.278 -8.580 1.00 0.00 C ATOM 608 O LEU A 260 0.481 5.401 -9.180 1.00 0.00 O ATOM 609 CB LEU A 260 1.651 4.680 -6.154 1.00 0.00 C ATOM 610 CG LEU A 260 1.712 5.084 -4.680 1.00 0.00 C ATOM 611 CD1 LEU A 260 1.020 4.044 -3.813 1.00 0.00 C ATOM 612 CD2 LEU A 260 3.155 5.275 -4.238 1.00 0.00 C ATOM 0 H LEU A 260 -0.250 6.538 -7.090 1.00 0.00 H new ATOM 0 HA LEU A 260 2.698 6.303 -7.099 1.00 0.00 H new ATOM 0 HB2 LEU A 260 0.725 4.129 -6.321 1.00 0.00 H new ATOM 0 HB3 LEU A 260 2.472 3.992 -6.356 1.00 0.00 H new ATOM 0 HG LEU A 260 1.189 6.033 -4.561 1.00 0.00 H new ATOM 0 HD11 LEU A 260 1.073 4.348 -2.768 1.00 0.00 H new ATOM 0 HD12 LEU A 260 -0.024 3.957 -4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 260 1.514 3.080 -3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 260 3.179 5.562 -3.187 1.00 0.00 H new ATOM 0 HD22 LEU A 260 3.703 4.342 -4.372 1.00 0.00 H new ATOM 0 HD23 LEU A 260 3.619 6.058 -4.838 1.00 0.00 H new ATOM 624 N LYS A 261 2.608 4.672 -9.108 1.00 0.00 N ATOM 625 CA LYS A 261 2.574 4.103 -10.450 1.00 0.00 C ATOM 626 C LYS A 261 2.911 2.616 -10.418 1.00 0.00 C ATOM 627 O LYS A 261 3.944 2.214 -9.881 1.00 0.00 O ATOM 628 CB LYS A 261 3.557 4.840 -11.363 1.00 0.00 C ATOM 629 CG LYS A 261 3.262 4.661 -12.843 1.00 0.00 C ATOM 630 CD LYS A 261 4.496 4.918 -13.691 1.00 0.00 C ATOM 631 CE LYS A 261 4.123 5.373 -15.094 1.00 0.00 C ATOM 632 NZ LYS A 261 5.325 5.566 -15.952 1.00 0.00 N ATOM 0 H LYS A 261 3.500 4.563 -8.626 1.00 0.00 H new ATOM 0 HA LYS A 261 1.564 4.221 -10.843 1.00 0.00 H new ATOM 0 HB2 LYS A 261 3.536 5.903 -11.123 1.00 0.00 H new ATOM 0 HB3 LYS A 261 4.567 4.486 -11.157 1.00 0.00 H new ATOM 0 HG2 LYS A 261 2.900 3.649 -13.023 1.00 0.00 H new ATOM 0 HG3 LYS A 261 2.466 5.343 -13.142 1.00 0.00 H new ATOM 0 HD2 LYS A 261 5.115 5.677 -13.214 1.00 0.00 H new ATOM 0 HD3 LYS A 261 5.095 4.009 -13.749 1.00 0.00 H new ATOM 0 HE2 LYS A 261 3.464 4.635 -15.552 1.00 0.00 H new ATOM 0 HE3 LYS A 261 3.564 6.307 -15.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 261 5.029 5.876 -16.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 261 5.942 6.288 -15.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 261 5.845 4.669 -16.028 1.00 0.00 H new ATOM 646 N CYS A 262 2.034 1.803 -10.998 1.00 0.00 N ATOM 647 CA CYS A 262 2.238 0.360 -11.038 1.00 0.00 C ATOM 648 C CYS A 262 3.263 -0.015 -12.104 1.00 0.00 C ATOM 649 O CYS A 262 2.964 -0.005 -13.299 1.00 0.00 O ATOM 650 CB CYS A 262 0.915 -0.356 -11.313 1.00 0.00 C ATOM 651 SG CYS A 262 0.949 -2.143 -10.961 1.00 0.00 S ATOM 0 H CYS A 262 1.175 2.120 -11.447 1.00 0.00 H new ATOM 0 HA CYS A 262 2.618 0.045 -10.066 1.00 0.00 H new ATOM 0 HB2 CYS A 262 0.132 0.107 -10.712 1.00 0.00 H new ATOM 0 HB3 CYS A 262 0.644 -0.208 -12.358 1.00 0.00 H new ATOM 0 HG CYS A 262 -0.256 -2.624 -11.040 1.00 0.00 H new ATOM 656 N ASP A 263 4.472 -0.347 -11.664 1.00 0.00 N ATOM 657 CA ASP A 263 5.542 -0.727 -12.580 1.00 0.00 C ATOM 658 C ASP A 263 5.227 -2.055 -13.262 1.00 0.00 C ATOM 659 O ASP A 263 5.957 -2.497 -14.148 1.00 0.00 O ATOM 660 CB ASP A 263 6.872 -0.826 -11.831 1.00 0.00 C ATOM 661 CG ASP A 263 8.063 -0.560 -12.730 1.00 0.00 C ATOM 662 OD1 ASP A 263 8.373 -1.424 -13.578 1.00 0.00 O ATOM 663 OD2 ASP A 263 8.686 0.513 -12.587 1.00 0.00 O ATOM 0 H ASP A 263 4.736 -0.361 -10.679 1.00 0.00 H new ATOM 0 HA ASP A 263 5.622 0.044 -13.346 1.00 0.00 H new ATOM 0 HB2 ASP A 263 6.876 -0.112 -11.007 1.00 0.00 H new ATOM 0 HB3 ASP A 263 6.966 -1.820 -11.393 1.00 0.00 H new ATOM 668 N ALA A 264 4.136 -2.686 -12.841 1.00 0.00 N ATOM 669 CA ALA A 264 3.724 -3.963 -13.411 1.00 0.00 C ATOM 670 C ALA A 264 2.852 -3.757 -14.645 1.00 0.00 C ATOM 671 O ALA A 264 3.128 -4.306 -15.712 1.00 0.00 O ATOM 672 CB ALA A 264 2.985 -4.791 -12.371 1.00 0.00 C ATOM 0 H ALA A 264 3.521 -2.334 -12.107 1.00 0.00 H new ATOM 0 HA ALA A 264 4.620 -4.502 -13.718 1.00 0.00 H new ATOM 0 HB1 ALA A 264 2.683 -5.742 -12.810 1.00 0.00 H new ATOM 0 HB2 ALA A 264 3.641 -4.976 -11.520 1.00 0.00 H new ATOM 0 HB3 ALA A 264 2.101 -4.249 -12.036 1.00 0.00 H new ATOM 678 N CYS A 265 1.797 -2.964 -14.492 1.00 0.00 N ATOM 679 CA CYS A 265 0.882 -2.686 -15.593 1.00 0.00 C ATOM 680 C CYS A 265 0.912 -1.206 -15.964 1.00 0.00 C ATOM 681 O CYS A 265 0.682 -0.840 -17.116 1.00 0.00 O ATOM 682 CB CYS A 265 -0.542 -3.101 -15.217 1.00 0.00 C ATOM 683 SG CYS A 265 -1.276 -2.109 -13.877 1.00 0.00 S ATOM 0 H CYS A 265 1.554 -2.502 -13.616 1.00 0.00 H new ATOM 0 HA CYS A 265 1.206 -3.266 -16.458 1.00 0.00 H new ATOM 0 HB2 CYS A 265 -1.176 -3.025 -16.100 1.00 0.00 H new ATOM 0 HB3 CYS A 265 -0.537 -4.149 -14.918 1.00 0.00 H new ATOM 0 HG CYS A 265 -0.497 -2.141 -12.837 1.00 0.00 H new ATOM 688 N GLY A 266 1.197 -0.360 -14.980 1.00 0.00 N ATOM 689 CA GLY A 266 1.252 1.070 -15.223 1.00 0.00 C ATOM 690 C GLY A 266 -0.082 1.750 -14.986 1.00 0.00 C ATOM 691 O GLY A 266 -0.850 1.967 -15.922 1.00 0.00 O ATOM 0 H GLY A 266 1.391 -0.639 -14.018 1.00 0.00 H new ATOM 0 HA2 GLY A 266 2.005 1.517 -14.574 1.00 0.00 H new ATOM 0 HA3 GLY A 266 1.570 1.249 -16.250 1.00 0.00 H new ATOM 695 N MET A 267 -0.359 2.084 -13.730 1.00 0.00 N ATOM 696 CA MET A 267 -1.610 2.743 -13.373 1.00 0.00 C ATOM 697 C MET A 267 -1.394 3.748 -12.246 1.00 0.00 C ATOM 698 O MET A 267 -0.792 3.427 -11.223 1.00 0.00 O ATOM 699 CB MET A 267 -2.655 1.707 -12.954 1.00 0.00 C ATOM 700 CG MET A 267 -4.024 2.305 -12.671 1.00 0.00 C ATOM 701 SD MET A 267 -5.344 1.078 -12.732 1.00 0.00 S ATOM 702 CE MET A 267 -4.560 -0.304 -11.906 1.00 0.00 C ATOM 0 H MET A 267 0.266 1.909 -12.943 1.00 0.00 H new ATOM 0 HA MET A 267 -1.971 3.280 -14.250 1.00 0.00 H new ATOM 0 HB2 MET A 267 -2.750 0.960 -13.742 1.00 0.00 H new ATOM 0 HB3 MET A 267 -2.303 1.188 -12.063 1.00 0.00 H new ATOM 0 HG2 MET A 267 -4.015 2.774 -11.687 1.00 0.00 H new ATOM 0 HG3 MET A 267 -4.230 3.091 -13.397 1.00 0.00 H new ATOM 0 HE1 MET A 267 -5.318 -1.029 -11.611 1.00 0.00 H new ATOM 0 HE2 MET A 267 -3.849 -0.777 -12.584 1.00 0.00 H new ATOM 0 HE3 MET A 267 -4.035 0.052 -11.020 1.00 0.00 H new ATOM 712 N ASN A 268 -1.888 4.966 -12.442 1.00 0.00 N ATOM 713 CA ASN A 268 -1.747 6.018 -11.442 1.00 0.00 C ATOM 714 C ASN A 268 -2.926 6.010 -10.474 1.00 0.00 C ATOM 715 O ASN A 268 -4.076 6.192 -10.876 1.00 0.00 O ATOM 716 CB ASN A 268 -1.641 7.385 -12.122 1.00 0.00 C ATOM 717 CG ASN A 268 -0.451 7.474 -13.058 1.00 0.00 C ATOM 718 OD1 ASN A 268 0.555 6.791 -12.868 1.00 0.00 O ATOM 719 ND2 ASN A 268 -0.563 8.319 -14.077 1.00 0.00 N ATOM 0 H ASN A 268 -2.389 5.249 -13.284 1.00 0.00 H new ATOM 0 HA ASN A 268 -0.834 5.828 -10.877 1.00 0.00 H new ATOM 0 HB2 ASN A 268 -2.556 7.581 -12.682 1.00 0.00 H new ATOM 0 HB3 ASN A 268 -1.560 8.161 -11.361 1.00 0.00 H new ATOM 0 HD21 ASN A 268 0.204 8.422 -14.741 1.00 0.00 H new ATOM 0 HD22 ASN A 268 -1.416 8.865 -14.195 1.00 0.00 H new ATOM 726 N VAL A 269 -2.633 5.797 -9.195 1.00 0.00 N ATOM 727 CA VAL A 269 -3.668 5.767 -8.168 1.00 0.00 C ATOM 728 C VAL A 269 -3.212 6.490 -6.906 1.00 0.00 C ATOM 729 O VAL A 269 -2.015 6.599 -6.639 1.00 0.00 O ATOM 730 CB VAL A 269 -4.057 4.321 -7.806 1.00 0.00 C ATOM 731 CG1 VAL A 269 -4.694 3.625 -8.999 1.00 0.00 C ATOM 732 CG2 VAL A 269 -2.841 3.550 -7.315 1.00 0.00 C ATOM 0 H VAL A 269 -1.687 5.643 -8.845 1.00 0.00 H new ATOM 0 HA VAL A 269 -4.538 6.277 -8.581 1.00 0.00 H new ATOM 0 HB VAL A 269 -4.790 4.351 -7.000 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -4.962 2.605 -8.725 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -5.590 4.167 -9.301 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -3.987 3.604 -9.828 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -3.134 2.531 -7.064 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -2.084 3.527 -8.099 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -2.433 4.039 -6.430 1.00 0.00 H new ATOM 742 N HIS A 270 -4.174 6.983 -6.133 1.00 0.00 N ATOM 743 CA HIS A 270 -3.871 7.696 -4.897 1.00 0.00 C ATOM 744 C HIS A 270 -3.084 6.808 -3.937 1.00 0.00 C ATOM 745 O HIS A 270 -2.718 5.682 -4.275 1.00 0.00 O ATOM 746 CB HIS A 270 -5.161 8.171 -4.228 1.00 0.00 C ATOM 747 CG HIS A 270 -5.721 9.423 -4.830 1.00 0.00 C ATOM 748 ND1 HIS A 270 -6.875 9.443 -5.585 1.00 0.00 N ATOM 749 CD2 HIS A 270 -5.281 10.702 -4.784 1.00 0.00 C ATOM 750 CE1 HIS A 270 -7.119 10.681 -5.978 1.00 0.00 C ATOM 751 NE2 HIS A 270 -6.167 11.464 -5.505 1.00 0.00 N ATOM 0 H HIS A 270 -5.169 6.902 -6.340 1.00 0.00 H new ATOM 0 HA HIS A 270 -3.260 8.563 -5.147 1.00 0.00 H new ATOM 0 HB2 HIS A 270 -5.908 7.380 -4.295 1.00 0.00 H new ATOM 0 HB3 HIS A 270 -4.970 8.341 -3.168 1.00 0.00 H new ATOM 0 HD1 HIS A 270 -7.450 8.630 -5.805 1.00 0.00 H new ATOM 0 HD2 HIS A 270 -4.397 11.057 -4.275 1.00 0.00 H new ATOM 0 HE1 HIS A 270 -7.955 10.998 -6.583 1.00 0.00 H new ATOM 759 N HIS A 271 -2.825 7.324 -2.739 1.00 0.00 N ATOM 760 CA HIS A 271 -2.081 6.578 -1.730 1.00 0.00 C ATOM 761 C HIS A 271 -2.954 5.498 -1.099 1.00 0.00 C ATOM 762 O HIS A 271 -2.465 4.435 -0.716 1.00 0.00 O ATOM 763 CB HIS A 271 -1.557 7.524 -0.649 1.00 0.00 C ATOM 764 CG HIS A 271 -0.322 8.269 -1.052 1.00 0.00 C ATOM 765 ND1 HIS A 271 0.550 7.814 -2.019 1.00 0.00 N ATOM 766 CD2 HIS A 271 0.185 9.445 -0.614 1.00 0.00 C ATOM 767 CE1 HIS A 271 1.540 8.677 -2.157 1.00 0.00 C ATOM 768 NE2 HIS A 271 1.343 9.676 -1.316 1.00 0.00 N ATOM 0 H HIS A 271 -3.119 8.255 -2.444 1.00 0.00 H new ATOM 0 HA HIS A 271 -1.235 6.096 -2.220 1.00 0.00 H new ATOM 0 HB2 HIS A 271 -2.338 8.241 -0.396 1.00 0.00 H new ATOM 0 HB3 HIS A 271 -1.347 6.950 0.254 1.00 0.00 H new ATOM 0 HD2 HIS A 271 -0.241 10.083 0.146 1.00 0.00 H new ATOM 0 HE1 HIS A 271 2.370 8.582 -2.841 1.00 0.00 H new ATOM 0 HE2 HIS A 271 1.952 10.487 -1.206 1.00 0.00 H new ATOM 776 N ARG A 272 -4.249 5.778 -0.992 1.00 0.00 N ATOM 777 CA ARG A 272 -5.190 4.832 -0.405 1.00 0.00 C ATOM 778 C ARG A 272 -5.824 3.957 -1.482 1.00 0.00 C ATOM 779 O ARG A 272 -5.994 2.752 -1.298 1.00 0.00 O ATOM 780 CB ARG A 272 -6.279 5.577 0.369 1.00 0.00 C ATOM 781 CG ARG A 272 -5.738 6.479 1.466 1.00 0.00 C ATOM 782 CD ARG A 272 -6.848 6.969 2.383 1.00 0.00 C ATOM 783 NE ARG A 272 -7.817 7.799 1.673 1.00 0.00 N ATOM 784 CZ ARG A 272 -8.704 8.578 2.283 1.00 0.00 C ATOM 785 NH1 ARG A 272 -8.743 8.633 3.607 1.00 0.00 N ATOM 786 NH2 ARG A 272 -9.553 9.304 1.568 1.00 0.00 N ATOM 0 H ARG A 272 -4.670 6.653 -1.304 1.00 0.00 H new ATOM 0 HA ARG A 272 -4.640 4.190 0.283 1.00 0.00 H new ATOM 0 HB2 ARG A 272 -6.862 6.178 -0.329 1.00 0.00 H new ATOM 0 HB3 ARG A 272 -6.960 4.850 0.811 1.00 0.00 H new ATOM 0 HG2 ARG A 272 -4.995 5.937 2.050 1.00 0.00 H new ATOM 0 HG3 ARG A 272 -5.231 7.334 1.019 1.00 0.00 H new ATOM 0 HD2 ARG A 272 -7.358 6.113 2.824 1.00 0.00 H new ATOM 0 HD3 ARG A 272 -6.414 7.540 3.204 1.00 0.00 H new ATOM 0 HE ARG A 272 -7.813 7.780 0.653 1.00 0.00 H new ATOM 0 HH11 ARG A 272 -8.091 8.077 4.160 1.00 0.00 H new ATOM 0 HH12 ARG A 272 -9.425 9.232 4.073 1.00 0.00 H new ATOM 0 HH21 ARG A 272 -9.525 9.265 0.549 1.00 0.00 H new ATOM 0 HH22 ARG A 272 -10.234 9.902 2.037 1.00 0.00 H new ATOM 800 N CYS A 273 -6.174 4.572 -2.607 1.00 0.00 N ATOM 801 CA CYS A 273 -6.790 3.851 -3.714 1.00 0.00 C ATOM 802 C CYS A 273 -5.900 2.702 -4.178 1.00 0.00 C ATOM 803 O CYS A 273 -6.334 1.836 -4.938 1.00 0.00 O ATOM 804 CB CYS A 273 -7.063 4.803 -4.881 1.00 0.00 C ATOM 805 SG CYS A 273 -8.196 6.170 -4.477 1.00 0.00 S ATOM 0 H CYS A 273 -6.041 5.569 -2.776 1.00 0.00 H new ATOM 0 HA CYS A 273 -7.735 3.436 -3.363 1.00 0.00 H new ATOM 0 HB2 CYS A 273 -6.116 5.220 -5.225 1.00 0.00 H new ATOM 0 HB3 CYS A 273 -7.480 4.233 -5.711 1.00 0.00 H new ATOM 0 HG CYS A 273 -8.687 6.666 -5.574 1.00 0.00 H new ATOM 810 N GLN A 274 -4.655 2.701 -3.714 1.00 0.00 N ATOM 811 CA GLN A 274 -3.704 1.658 -4.081 1.00 0.00 C ATOM 812 C GLN A 274 -4.163 0.297 -3.569 1.00 0.00 C ATOM 813 O GLN A 274 -4.051 -0.712 -4.266 1.00 0.00 O ATOM 814 CB GLN A 274 -2.317 1.984 -3.525 1.00 0.00 C ATOM 815 CG GLN A 274 -2.054 1.381 -2.155 1.00 0.00 C ATOM 816 CD GLN A 274 -0.837 1.979 -1.477 1.00 0.00 C ATOM 817 OE1 GLN A 274 0.229 2.100 -2.083 1.00 0.00 O ATOM 818 NE2 GLN A 274 -0.988 2.358 -0.214 1.00 0.00 N ATOM 0 H GLN A 274 -4.281 3.410 -3.083 1.00 0.00 H new ATOM 0 HA GLN A 274 -3.651 1.617 -5.169 1.00 0.00 H new ATOM 0 HB2 GLN A 274 -1.561 1.624 -4.223 1.00 0.00 H new ATOM 0 HB3 GLN A 274 -2.204 3.066 -3.464 1.00 0.00 H new ATOM 0 HG2 GLN A 274 -2.928 1.532 -1.522 1.00 0.00 H new ATOM 0 HG3 GLN A 274 -1.916 0.305 -2.257 1.00 0.00 H new ATOM 0 HE21 GLN A 274 -1.889 2.240 0.250 1.00 0.00 H new ATOM 0 HE22 GLN A 274 -0.203 2.768 0.293 1.00 0.00 H new ATOM 827 N THR A 275 -4.682 0.276 -2.345 1.00 0.00 N ATOM 828 CA THR A 275 -5.157 -0.961 -1.738 1.00 0.00 C ATOM 829 C THR A 275 -6.670 -1.094 -1.873 1.00 0.00 C ATOM 830 O THR A 275 -7.287 -1.954 -1.243 1.00 0.00 O ATOM 831 CB THR A 275 -4.777 -1.038 -0.247 1.00 0.00 C ATOM 832 OG1 THR A 275 -3.634 -0.215 0.010 1.00 0.00 O ATOM 833 CG2 THR A 275 -4.479 -2.472 0.162 1.00 0.00 C ATOM 0 H THR A 275 -4.784 1.102 -1.755 1.00 0.00 H new ATOM 0 HA THR A 275 -4.674 -1.780 -2.271 1.00 0.00 H new ATOM 0 HB THR A 275 -5.622 -0.678 0.340 1.00 0.00 H new ATOM 0 HG1 THR A 275 -3.400 -0.268 0.960 1.00 0.00 H new ATOM 0 HG21 THR A 275 -4.213 -2.501 1.219 1.00 0.00 H new ATOM 0 HG22 THR A 275 -5.361 -3.089 -0.007 1.00 0.00 H new ATOM 0 HG23 THR A 275 -3.649 -2.855 -0.432 1.00 0.00 H new ATOM 841 N LYS A 276 -7.263 -0.238 -2.698 1.00 0.00 N ATOM 842 CA LYS A 276 -8.704 -0.260 -2.918 1.00 0.00 C ATOM 843 C LYS A 276 -9.044 -0.961 -4.229 1.00 0.00 C ATOM 844 O LYS A 276 -10.144 -1.488 -4.397 1.00 0.00 O ATOM 845 CB LYS A 276 -9.261 1.165 -2.929 1.00 0.00 C ATOM 846 CG LYS A 276 -9.117 1.885 -1.600 1.00 0.00 C ATOM 847 CD LYS A 276 -10.181 2.957 -1.428 1.00 0.00 C ATOM 848 CE LYS A 276 -9.711 4.300 -1.965 1.00 0.00 C ATOM 849 NZ LYS A 276 -10.703 5.379 -1.705 1.00 0.00 N ATOM 0 H LYS A 276 -6.767 0.480 -3.226 1.00 0.00 H new ATOM 0 HA LYS A 276 -9.163 -0.816 -2.100 1.00 0.00 H new ATOM 0 HB2 LYS A 276 -8.750 1.740 -3.701 1.00 0.00 H new ATOM 0 HB3 LYS A 276 -10.316 1.132 -3.202 1.00 0.00 H new ATOM 0 HG2 LYS A 276 -9.190 1.165 -0.785 1.00 0.00 H new ATOM 0 HG3 LYS A 276 -8.128 2.339 -1.536 1.00 0.00 H new ATOM 0 HD2 LYS A 276 -11.091 2.655 -1.947 1.00 0.00 H new ATOM 0 HD3 LYS A 276 -10.434 3.054 -0.372 1.00 0.00 H new ATOM 0 HE2 LYS A 276 -8.759 4.563 -1.503 1.00 0.00 H new ATOM 0 HE3 LYS A 276 -9.534 4.220 -3.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 276 -10.346 6.278 -2.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 276 -11.604 5.141 -2.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 276 -10.853 5.473 -0.680 1.00 0.00 H new ATOM 863 N VAL A 277 -8.092 -0.964 -5.157 1.00 0.00 N ATOM 864 CA VAL A 277 -8.290 -1.603 -6.453 1.00 0.00 C ATOM 865 C VAL A 277 -8.247 -3.122 -6.330 1.00 0.00 C ATOM 866 O VAL A 277 -8.079 -3.661 -5.236 1.00 0.00 O ATOM 867 CB VAL A 277 -7.224 -1.151 -7.469 1.00 0.00 C ATOM 868 CG1 VAL A 277 -7.787 -1.178 -8.882 1.00 0.00 C ATOM 869 CG2 VAL A 277 -6.708 0.236 -7.119 1.00 0.00 C ATOM 0 H VAL A 277 -7.176 -0.531 -5.036 1.00 0.00 H new ATOM 0 HA VAL A 277 -9.274 -1.299 -6.809 1.00 0.00 H new ATOM 0 HB VAL A 277 -6.387 -1.847 -7.424 1.00 0.00 H new ATOM 0 HG11 VAL A 277 -7.020 -0.856 -9.586 1.00 0.00 H new ATOM 0 HG12 VAL A 277 -8.103 -2.192 -9.129 1.00 0.00 H new ATOM 0 HG13 VAL A 277 -8.643 -0.506 -8.946 1.00 0.00 H new ATOM 0 HG21 VAL A 277 -5.956 0.539 -7.847 1.00 0.00 H new ATOM 0 HG22 VAL A 277 -7.535 0.946 -7.134 1.00 0.00 H new ATOM 0 HG23 VAL A 277 -6.263 0.218 -6.124 1.00 0.00 H new ATOM 879 N ALA A 278 -8.401 -3.806 -7.458 1.00 0.00 N ATOM 880 CA ALA A 278 -8.377 -5.263 -7.477 1.00 0.00 C ATOM 881 C ALA A 278 -6.947 -5.789 -7.536 1.00 0.00 C ATOM 882 O ALA A 278 -6.060 -5.140 -8.088 1.00 0.00 O ATOM 883 CB ALA A 278 -9.183 -5.789 -8.656 1.00 0.00 C ATOM 0 H ALA A 278 -8.544 -3.375 -8.371 1.00 0.00 H new ATOM 0 HA ALA A 278 -8.830 -5.620 -6.552 1.00 0.00 H new ATOM 0 HB1 ALA A 278 -9.156 -6.879 -8.658 1.00 0.00 H new ATOM 0 HB2 ALA A 278 -10.216 -5.451 -8.570 1.00 0.00 H new ATOM 0 HB3 ALA A 278 -8.755 -5.414 -9.586 1.00 0.00 H new ATOM 889 N ASN A 279 -6.731 -6.968 -6.962 1.00 0.00 N ATOM 890 CA ASN A 279 -5.407 -7.580 -6.948 1.00 0.00 C ATOM 891 C ASN A 279 -5.154 -8.357 -8.236 1.00 0.00 C ATOM 892 O ASN A 279 -4.379 -9.315 -8.254 1.00 0.00 O ATOM 893 CB ASN A 279 -5.265 -8.510 -5.741 1.00 0.00 C ATOM 894 CG ASN A 279 -6.270 -9.645 -5.765 1.00 0.00 C ATOM 895 OD1 ASN A 279 -7.199 -9.650 -6.574 1.00 0.00 O ATOM 896 ND2 ASN A 279 -6.090 -10.614 -4.875 1.00 0.00 N ATOM 0 H ASN A 279 -7.455 -7.519 -6.501 1.00 0.00 H new ATOM 0 HA ASN A 279 -4.666 -6.784 -6.873 1.00 0.00 H new ATOM 0 HB2 ASN A 279 -4.256 -8.922 -5.720 1.00 0.00 H new ATOM 0 HB3 ASN A 279 -5.393 -7.934 -4.825 1.00 0.00 H new ATOM 0 HD21 ASN A 279 -6.735 -11.403 -4.843 1.00 0.00 H new ATOM 0 HD22 ASN A 279 -5.306 -10.569 -4.224 1.00 0.00 H new ATOM 903 N LEU A 280 -5.811 -7.939 -9.312 1.00 0.00 N ATOM 904 CA LEU A 280 -5.657 -8.595 -10.606 1.00 0.00 C ATOM 905 C LEU A 280 -4.879 -7.711 -11.575 1.00 0.00 C ATOM 906 O LEU A 280 -5.463 -7.053 -12.437 1.00 0.00 O ATOM 907 CB LEU A 280 -7.027 -8.935 -11.194 1.00 0.00 C ATOM 908 CG LEU A 280 -7.921 -9.834 -10.339 1.00 0.00 C ATOM 909 CD1 LEU A 280 -9.367 -9.744 -10.800 1.00 0.00 C ATOM 910 CD2 LEU A 280 -7.431 -11.274 -10.388 1.00 0.00 C ATOM 0 H LEU A 280 -6.456 -7.149 -9.314 1.00 0.00 H new ATOM 0 HA LEU A 280 -5.096 -9.517 -10.454 1.00 0.00 H new ATOM 0 HB2 LEU A 280 -7.559 -8.003 -11.385 1.00 0.00 H new ATOM 0 HB3 LEU A 280 -6.876 -9.419 -12.159 1.00 0.00 H new ATOM 0 HG LEU A 280 -7.870 -9.489 -9.306 1.00 0.00 H new ATOM 0 HD11 LEU A 280 -9.988 -10.391 -10.180 1.00 0.00 H new ATOM 0 HD12 LEU A 280 -9.714 -8.714 -10.711 1.00 0.00 H new ATOM 0 HD13 LEU A 280 -9.438 -10.062 -11.840 1.00 0.00 H new ATOM 0 HD21 LEU A 280 -8.079 -11.900 -9.774 1.00 0.00 H new ATOM 0 HD22 LEU A 280 -7.452 -11.631 -11.418 1.00 0.00 H new ATOM 0 HD23 LEU A 280 -6.411 -11.324 -10.007 1.00 0.00 H new ATOM 922 N CYS A 281 -3.558 -7.701 -11.430 1.00 0.00 N ATOM 923 CA CYS A 281 -2.700 -6.900 -12.294 1.00 0.00 C ATOM 924 C CYS A 281 -2.334 -7.667 -13.561 1.00 0.00 C ATOM 925 O CYS A 281 -1.884 -8.810 -13.499 1.00 0.00 O ATOM 926 CB CYS A 281 -1.428 -6.492 -11.547 1.00 0.00 C ATOM 927 SG CYS A 281 -0.311 -5.422 -12.510 1.00 0.00 S ATOM 0 H CYS A 281 -3.059 -8.239 -10.722 1.00 0.00 H new ATOM 0 HA CYS A 281 -3.250 -6.004 -12.580 1.00 0.00 H new ATOM 0 HB2 CYS A 281 -1.708 -5.974 -10.630 1.00 0.00 H new ATOM 0 HB3 CYS A 281 -0.888 -7.392 -11.253 1.00 0.00 H new ATOM 0 HG CYS A 281 -0.937 -4.334 -12.849 1.00 0.00 H new ATOM 932 N GLY A 282 -2.532 -7.029 -14.711 1.00 0.00 N ATOM 933 CA GLY A 282 -2.218 -7.666 -15.976 1.00 0.00 C ATOM 934 C GLY A 282 -3.372 -8.489 -16.513 1.00 0.00 C ATOM 935 O GLY A 282 -3.444 -8.762 -17.712 1.00 0.00 O ATOM 0 H GLY A 282 -2.904 -6.083 -14.789 1.00 0.00 H new ATOM 0 HA2 GLY A 282 -1.949 -6.903 -16.707 1.00 0.00 H new ATOM 0 HA3 GLY A 282 -1.346 -8.308 -15.850 1.00 0.00 H new ATOM 939 N ILE A 283 -4.276 -8.887 -15.624 1.00 0.00 N ATOM 940 CA ILE A 283 -5.432 -9.685 -16.016 1.00 0.00 C ATOM 941 C ILE A 283 -6.310 -8.930 -17.007 1.00 0.00 C ATOM 942 O ILE A 283 -6.995 -9.534 -17.831 1.00 0.00 O ATOM 943 CB ILE A 283 -6.281 -10.083 -14.794 1.00 0.00 C ATOM 944 CG1 ILE A 283 -5.422 -10.826 -13.769 1.00 0.00 C ATOM 945 CG2 ILE A 283 -7.461 -10.941 -15.226 1.00 0.00 C ATOM 946 CD1 ILE A 283 -4.661 -11.996 -14.352 1.00 0.00 C ATOM 0 H ILE A 283 -4.231 -8.670 -14.628 1.00 0.00 H new ATOM 0 HA ILE A 283 -5.047 -10.588 -16.490 1.00 0.00 H new ATOM 0 HB ILE A 283 -6.667 -9.177 -14.327 1.00 0.00 H new ATOM 0 HG12 ILE A 283 -4.713 -10.127 -13.326 1.00 0.00 H new ATOM 0 HG13 ILE A 283 -6.062 -11.185 -12.963 1.00 0.00 H new ATOM 0 HG21 ILE A 283 -8.052 -11.214 -14.352 1.00 0.00 H new ATOM 0 HG22 ILE A 283 -8.083 -10.380 -15.923 1.00 0.00 H new ATOM 0 HG23 ILE A 283 -7.095 -11.845 -15.713 1.00 0.00 H new ATOM 0 HD11 ILE A 283 -4.074 -12.475 -13.568 1.00 0.00 H new ATOM 0 HD12 ILE A 283 -5.365 -12.716 -14.770 1.00 0.00 H new ATOM 0 HD13 ILE A 283 -3.995 -11.641 -15.139 1.00 0.00 H new ATOM 958 N ASN A 284 -6.284 -7.603 -16.922 1.00 0.00 N ATOM 959 CA ASN A 284 -7.078 -6.765 -17.813 1.00 0.00 C ATOM 960 C ASN A 284 -6.187 -6.049 -18.823 1.00 0.00 C ATOM 961 O ASN A 284 -6.395 -6.151 -20.032 1.00 0.00 O ATOM 962 CB ASN A 284 -7.877 -5.740 -17.005 1.00 0.00 C ATOM 963 CG ASN A 284 -9.060 -5.190 -17.779 1.00 0.00 C ATOM 964 OD1 ASN A 284 -9.120 -5.299 -19.003 1.00 0.00 O ATOM 965 ND2 ASN A 284 -10.008 -4.595 -17.065 1.00 0.00 N ATOM 0 H ASN A 284 -5.722 -7.086 -16.246 1.00 0.00 H new ATOM 0 HA ASN A 284 -7.770 -7.409 -18.357 1.00 0.00 H new ATOM 0 HB2 ASN A 284 -8.232 -6.204 -16.085 1.00 0.00 H new ATOM 0 HB3 ASN A 284 -7.222 -4.918 -16.716 1.00 0.00 H new ATOM 0 HD21 ASN A 284 -10.828 -4.205 -17.530 1.00 0.00 H new ATOM 0 HD22 ASN A 284 -9.916 -4.527 -16.051 1.00 0.00 H new