USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=16 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 275 THR OG1 : rot -170:sc= 0.0676 USER MOD Set 1.2: A 276 LYS NZ :NH3+ 145:sc= -1.73! (180deg=-4.1!) USER MOD Set 2.1: A 245 CYS SG : rot 137:sc= 0.675 USER MOD Set 2.2: A 247 HIS : no HD1:sc= -10.6! C(o=-18!,f=-15!) USER MOD Set 2.3: A 248 CYS SG : rot -73:sc= 0.155 USER MOD Set 2.4: A 250 THR OG1 : rot -70:sc= 0.79 USER MOD Set 2.5: A 270 HIS : no HD1:sc= -7.14! C(o=-18!,f=-15!) USER MOD Set 2.6: A 273 CYS SG : rot -168:sc= -1.38 USER MOD Set 3.1: A 232 HIS : no HD1:sc= 0.0649 K(o=-6.5,f=-9.1) USER MOD Set 3.2: A 262 CYS SG : rot 163:sc= -1.82 USER MOD Set 3.3: A 265 CYS SG : rot -54:sc= 0.932 USER MOD Set 3.4: A 267 MET CE :methyl 174:sc= -0.738 (180deg=-1.12) USER MOD Set 3.5: A 281 CYS SG : rot 55:sc= -4.99! USER MOD Single : A 230 MET CE :methyl -165:sc= -0.032 (180deg=-0.374) USER MOD Single : A 235 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 237 TYR OH : rot 180:sc= 0 USER MOD Single : A 238 ASN : amide:sc= -2.03! C(o=-2!,f=-10!) USER MOD Single : A 239 TYR OH : rot 165:sc= 0 USER MOD Single : A 240 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 241 SER OG : rot 180:sc= 0.00333 USER MOD Single : A 243 THR OG1 : rot 180:sc= 0 USER MOD Single : A 258 GLN : amide:sc= -5.51! C(o=-5.5!,f=-5.1!) USER MOD Single : A 261 LYS NZ :NH3+ -106:sc= -0.0961 (180deg=-1.98!) USER MOD Single : A 268 ASN : amide:sc= -1.27 K(o=-1.3,f=-3.3!) USER MOD Single : A 271 HIS : no HD1:sc= -0.554 K(o=-0.55,f=-0.02) USER MOD Single : A 274 GLN : amide:sc= -2.21 K(o=-2.2,f=-0.45) USER MOD Single : A 279 ASN : amide:sc= -5.05! C(o=-5!,f=-5.4!) USER MOD Single : A 284 ASN : amide:sc= -0.192 K(o=-0.19,f=-0.74) USER MOD ----------------------------------------------------------------- ATOM 107 N ASP A 229 -3.826 -14.310 -7.544 1.00 0.00 N ATOM 108 CA ASP A 229 -3.509 -13.178 -8.406 1.00 0.00 C ATOM 109 C ASP A 229 -2.241 -12.473 -7.935 1.00 0.00 C ATOM 110 O ASP A 229 -1.577 -12.927 -7.003 1.00 0.00 O ATOM 111 CB ASP A 229 -4.676 -12.190 -8.435 1.00 0.00 C ATOM 112 CG ASP A 229 -6.013 -12.877 -8.633 1.00 0.00 C ATOM 113 OD1 ASP A 229 -6.253 -13.909 -7.972 1.00 0.00 O ATOM 114 OD2 ASP A 229 -6.819 -12.383 -9.448 1.00 0.00 O ATOM 0 HA ASP A 229 -3.338 -13.557 -9.414 1.00 0.00 H new ATOM 0 HB2 ASP A 229 -4.695 -11.627 -7.502 1.00 0.00 H new ATOM 0 HB3 ASP A 229 -4.519 -11.470 -9.238 1.00 0.00 H new ATOM 119 N MET A 230 -1.911 -11.363 -8.585 1.00 0.00 N ATOM 120 CA MET A 230 -0.722 -10.595 -8.232 1.00 0.00 C ATOM 121 C MET A 230 -1.087 -9.155 -7.889 1.00 0.00 C ATOM 122 O MET A 230 -1.965 -8.548 -8.503 1.00 0.00 O ATOM 123 CB MET A 230 0.286 -10.618 -9.382 1.00 0.00 C ATOM 124 CG MET A 230 1.238 -11.803 -9.333 1.00 0.00 C ATOM 125 SD MET A 230 2.480 -11.751 -10.639 1.00 0.00 S ATOM 126 CE MET A 230 1.453 -11.968 -12.091 1.00 0.00 C ATOM 0 H MET A 230 -2.450 -10.974 -9.359 1.00 0.00 H new ATOM 0 HA MET A 230 -0.270 -11.055 -7.353 1.00 0.00 H new ATOM 0 HB2 MET A 230 -0.255 -10.636 -10.328 1.00 0.00 H new ATOM 0 HB3 MET A 230 0.866 -9.695 -9.364 1.00 0.00 H new ATOM 0 HG2 MET A 230 1.736 -11.824 -8.364 1.00 0.00 H new ATOM 0 HG3 MET A 230 0.666 -12.727 -9.417 1.00 0.00 H new ATOM 0 HE1 MET A 230 2.080 -12.224 -12.945 1.00 0.00 H new ATOM 0 HE2 MET A 230 0.737 -12.770 -11.914 1.00 0.00 H new ATOM 0 HE3 MET A 230 0.916 -11.042 -12.299 1.00 0.00 H new ATOM 136 N PRO A 231 -0.399 -8.592 -6.885 1.00 0.00 N ATOM 137 CA PRO A 231 -0.633 -7.216 -6.438 1.00 0.00 C ATOM 138 C PRO A 231 -0.169 -6.186 -7.463 1.00 0.00 C ATOM 139 O PRO A 231 0.449 -6.533 -8.470 1.00 0.00 O ATOM 140 CB PRO A 231 0.202 -7.111 -5.159 1.00 0.00 C ATOM 141 CG PRO A 231 1.276 -8.130 -5.323 1.00 0.00 C ATOM 142 CD PRO A 231 0.662 -9.256 -6.108 1.00 0.00 C ATOM 0 HA PRO A 231 -1.693 -7.011 -6.289 1.00 0.00 H new ATOM 0 HB2 PRO A 231 0.620 -6.111 -5.040 1.00 0.00 H new ATOM 0 HB3 PRO A 231 -0.402 -7.312 -4.274 1.00 0.00 H new ATOM 0 HG2 PRO A 231 2.135 -7.711 -5.848 1.00 0.00 H new ATOM 0 HG3 PRO A 231 1.634 -8.479 -4.354 1.00 0.00 H new ATOM 0 HD2 PRO A 231 1.393 -9.739 -6.757 1.00 0.00 H new ATOM 0 HD3 PRO A 231 0.257 -10.028 -5.454 1.00 0.00 H new ATOM 150 N HIS A 232 -0.471 -4.919 -7.200 1.00 0.00 N ATOM 151 CA HIS A 232 -0.083 -3.838 -8.100 1.00 0.00 C ATOM 152 C HIS A 232 1.285 -3.279 -7.720 1.00 0.00 C ATOM 153 O HIS A 232 1.460 -2.724 -6.636 1.00 0.00 O ATOM 154 CB HIS A 232 -1.128 -2.723 -8.072 1.00 0.00 C ATOM 155 CG HIS A 232 -2.365 -3.041 -8.853 1.00 0.00 C ATOM 156 ND1 HIS A 232 -2.366 -3.223 -10.220 1.00 0.00 N ATOM 157 CD2 HIS A 232 -3.647 -3.212 -8.452 1.00 0.00 C ATOM 158 CE1 HIS A 232 -3.595 -3.490 -10.626 1.00 0.00 C ATOM 159 NE2 HIS A 232 -4.391 -3.490 -9.572 1.00 0.00 N ATOM 0 H HIS A 232 -0.983 -4.615 -6.372 1.00 0.00 H new ATOM 0 HA HIS A 232 -0.022 -4.244 -9.110 1.00 0.00 H new ATOM 0 HB2 HIS A 232 -1.404 -2.521 -7.037 1.00 0.00 H new ATOM 0 HB3 HIS A 232 -0.683 -1.810 -8.468 1.00 0.00 H new ATOM 0 HD2 HIS A 232 -4.016 -3.143 -7.439 1.00 0.00 H new ATOM 0 HE1 HIS A 232 -3.897 -3.676 -11.646 1.00 0.00 H new ATOM 0 HE2 HIS A 232 -5.395 -3.668 -9.588 1.00 0.00 H new ATOM 167 N ARG A 233 2.251 -3.431 -8.620 1.00 0.00 N ATOM 168 CA ARG A 233 3.604 -2.944 -8.378 1.00 0.00 C ATOM 169 C ARG A 233 3.618 -1.424 -8.243 1.00 0.00 C ATOM 170 O ARG A 233 4.052 -0.713 -9.149 1.00 0.00 O ATOM 171 CB ARG A 233 4.534 -3.374 -9.514 1.00 0.00 C ATOM 172 CG ARG A 233 4.800 -4.870 -9.551 1.00 0.00 C ATOM 173 CD ARG A 233 6.027 -5.197 -10.387 1.00 0.00 C ATOM 174 NE ARG A 233 7.262 -5.084 -9.616 1.00 0.00 N ATOM 175 CZ ARG A 233 8.397 -5.685 -9.954 1.00 0.00 C ATOM 176 NH1 ARG A 233 8.454 -6.437 -11.044 1.00 0.00 N ATOM 177 NH2 ARG A 233 9.479 -5.533 -9.201 1.00 0.00 N ATOM 0 H ARG A 233 2.122 -3.887 -9.523 1.00 0.00 H new ATOM 0 HA ARG A 233 3.958 -3.378 -7.443 1.00 0.00 H new ATOM 0 HB2 ARG A 233 4.098 -3.068 -10.465 1.00 0.00 H new ATOM 0 HB3 ARG A 233 5.483 -2.847 -9.414 1.00 0.00 H new ATOM 0 HG2 ARG A 233 4.941 -5.241 -8.536 1.00 0.00 H new ATOM 0 HG3 ARG A 233 3.931 -5.385 -9.961 1.00 0.00 H new ATOM 0 HD2 ARG A 233 5.937 -6.209 -10.781 1.00 0.00 H new ATOM 0 HD3 ARG A 233 6.072 -4.524 -11.243 1.00 0.00 H new ATOM 0 HE ARG A 233 7.252 -4.512 -8.771 1.00 0.00 H new ATOM 0 HH11 ARG A 233 7.625 -6.555 -11.626 1.00 0.00 H new ATOM 0 HH12 ARG A 233 9.327 -6.897 -11.301 1.00 0.00 H new ATOM 0 HH21 ARG A 233 9.439 -4.954 -8.362 1.00 0.00 H new ATOM 0 HH22 ARG A 233 10.350 -5.995 -9.461 1.00 0.00 H new ATOM 191 N PHE A 234 3.139 -0.932 -7.105 1.00 0.00 N ATOM 192 CA PHE A 234 3.095 0.503 -6.851 1.00 0.00 C ATOM 193 C PHE A 234 4.430 1.000 -6.303 1.00 0.00 C ATOM 194 O PHE A 234 5.071 0.329 -5.494 1.00 0.00 O ATOM 195 CB PHE A 234 1.972 0.834 -5.865 1.00 0.00 C ATOM 196 CG PHE A 234 0.599 0.548 -6.403 1.00 0.00 C ATOM 197 CD1 PHE A 234 0.244 0.949 -7.681 1.00 0.00 C ATOM 198 CD2 PHE A 234 -0.336 -0.122 -5.631 1.00 0.00 C ATOM 199 CE1 PHE A 234 -1.019 0.688 -8.178 1.00 0.00 C ATOM 200 CE2 PHE A 234 -1.601 -0.386 -6.123 1.00 0.00 C ATOM 201 CZ PHE A 234 -1.942 0.019 -7.398 1.00 0.00 C ATOM 0 H PHE A 234 2.776 -1.506 -6.344 1.00 0.00 H new ATOM 0 HA PHE A 234 2.900 1.008 -7.797 1.00 0.00 H new ATOM 0 HB2 PHE A 234 2.122 0.261 -4.950 1.00 0.00 H new ATOM 0 HB3 PHE A 234 2.035 1.888 -5.595 1.00 0.00 H new ATOM 0 HD1 PHE A 234 0.962 1.471 -8.296 1.00 0.00 H new ATOM 0 HD2 PHE A 234 -0.074 -0.442 -4.633 1.00 0.00 H new ATOM 0 HE1 PHE A 234 -1.284 1.007 -9.175 1.00 0.00 H new ATOM 0 HE2 PHE A 234 -2.321 -0.908 -5.511 1.00 0.00 H new ATOM 0 HZ PHE A 234 -2.929 -0.187 -7.785 1.00 0.00 H new ATOM 211 N LYS A 235 4.844 2.180 -6.751 1.00 0.00 N ATOM 212 CA LYS A 235 6.101 2.769 -6.308 1.00 0.00 C ATOM 213 C LYS A 235 6.086 4.284 -6.488 1.00 0.00 C ATOM 214 O LYS A 235 5.932 4.785 -7.602 1.00 0.00 O ATOM 215 CB LYS A 235 7.273 2.164 -7.084 1.00 0.00 C ATOM 216 CG LYS A 235 7.560 0.717 -6.722 1.00 0.00 C ATOM 217 CD LYS A 235 9.008 0.349 -7.002 1.00 0.00 C ATOM 218 CE LYS A 235 9.260 0.174 -8.491 1.00 0.00 C ATOM 219 NZ LYS A 235 8.866 -1.181 -8.965 1.00 0.00 N ATOM 0 H LYS A 235 4.326 2.748 -7.422 1.00 0.00 H new ATOM 0 HA LYS A 235 6.223 2.548 -5.248 1.00 0.00 H new ATOM 0 HB2 LYS A 235 7.063 2.228 -8.152 1.00 0.00 H new ATOM 0 HB3 LYS A 235 8.167 2.760 -6.899 1.00 0.00 H new ATOM 0 HG2 LYS A 235 7.340 0.554 -5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 235 6.900 0.061 -7.290 1.00 0.00 H new ATOM 0 HD2 LYS A 235 9.664 1.126 -6.610 1.00 0.00 H new ATOM 0 HD3 LYS A 235 9.258 -0.574 -6.479 1.00 0.00 H new ATOM 0 HE2 LYS A 235 8.702 0.929 -9.045 1.00 0.00 H new ATOM 0 HE3 LYS A 235 10.316 0.340 -8.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 235 9.053 -1.260 -9.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 235 9.417 -1.901 -8.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 235 7.852 -1.330 -8.787 1.00 0.00 H new ATOM 233 N VAL A 236 6.248 5.009 -5.386 1.00 0.00 N ATOM 234 CA VAL A 236 6.256 6.466 -5.423 1.00 0.00 C ATOM 235 C VAL A 236 7.106 6.982 -6.579 1.00 0.00 C ATOM 236 O VAL A 236 8.269 6.605 -6.724 1.00 0.00 O ATOM 237 CB VAL A 236 6.788 7.058 -4.104 1.00 0.00 C ATOM 238 CG1 VAL A 236 7.082 8.542 -4.266 1.00 0.00 C ATOM 239 CG2 VAL A 236 5.795 6.823 -2.976 1.00 0.00 C ATOM 0 H VAL A 236 6.376 4.610 -4.456 1.00 0.00 H new ATOM 0 HA VAL A 236 5.223 6.785 -5.565 1.00 0.00 H new ATOM 0 HB VAL A 236 7.719 6.553 -3.848 1.00 0.00 H new ATOM 0 HG11 VAL A 236 7.457 8.944 -3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 236 7.832 8.681 -5.044 1.00 0.00 H new ATOM 0 HG13 VAL A 236 6.168 9.066 -4.545 1.00 0.00 H new ATOM 0 HG21 VAL A 236 6.187 7.248 -2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 236 4.846 7.301 -3.221 1.00 0.00 H new ATOM 0 HG23 VAL A 236 5.639 5.752 -2.846 1.00 0.00 H new ATOM 249 N TYR A 237 6.518 7.846 -7.398 1.00 0.00 N ATOM 250 CA TYR A 237 7.220 8.413 -8.543 1.00 0.00 C ATOM 251 C TYR A 237 6.783 9.853 -8.792 1.00 0.00 C ATOM 252 O TYR A 237 5.608 10.190 -8.651 1.00 0.00 O ATOM 253 CB TYR A 237 6.967 7.568 -9.793 1.00 0.00 C ATOM 254 CG TYR A 237 7.493 8.195 -11.064 1.00 0.00 C ATOM 255 CD1 TYR A 237 6.710 9.073 -11.804 1.00 0.00 C ATOM 256 CD2 TYR A 237 8.771 7.909 -11.526 1.00 0.00 C ATOM 257 CE1 TYR A 237 7.186 9.648 -12.967 1.00 0.00 C ATOM 258 CE2 TYR A 237 9.256 8.481 -12.687 1.00 0.00 C ATOM 259 CZ TYR A 237 8.459 9.349 -13.404 1.00 0.00 C ATOM 260 OH TYR A 237 8.938 9.919 -14.561 1.00 0.00 O ATOM 0 H TYR A 237 5.557 8.169 -7.290 1.00 0.00 H new ATOM 0 HA TYR A 237 8.287 8.410 -8.320 1.00 0.00 H new ATOM 0 HB2 TYR A 237 7.431 6.591 -9.661 1.00 0.00 H new ATOM 0 HB3 TYR A 237 5.895 7.400 -9.897 1.00 0.00 H new ATOM 0 HD1 TYR A 237 5.713 9.310 -11.464 1.00 0.00 H new ATOM 0 HD2 TYR A 237 9.397 7.228 -10.968 1.00 0.00 H new ATOM 0 HE1 TYR A 237 6.564 10.328 -13.531 1.00 0.00 H new ATOM 0 HE2 TYR A 237 10.253 8.250 -13.031 1.00 0.00 H new ATOM 0 HH TYR A 237 9.851 9.605 -14.727 1.00 0.00 H new ATOM 270 N ASN A 238 7.739 10.699 -9.163 1.00 0.00 N ATOM 271 CA ASN A 238 7.454 12.104 -9.432 1.00 0.00 C ATOM 272 C ASN A 238 7.022 12.304 -10.881 1.00 0.00 C ATOM 273 O ASN A 238 7.753 11.961 -11.811 1.00 0.00 O ATOM 274 CB ASN A 238 8.686 12.962 -9.133 1.00 0.00 C ATOM 275 CG ASN A 238 8.474 14.421 -9.488 1.00 0.00 C ATOM 276 OD1 ASN A 238 7.635 14.751 -10.326 1.00 0.00 O ATOM 277 ND2 ASN A 238 9.237 15.301 -8.852 1.00 0.00 N ATOM 0 H ASN A 238 8.717 10.436 -9.284 1.00 0.00 H new ATOM 0 HA ASN A 238 6.636 12.414 -8.781 1.00 0.00 H new ATOM 0 HB2 ASN A 238 8.934 12.881 -8.075 1.00 0.00 H new ATOM 0 HB3 ASN A 238 9.539 12.575 -9.691 1.00 0.00 H new ATOM 0 HD21 ASN A 238 9.141 16.297 -9.050 1.00 0.00 H new ATOM 0 HD22 ASN A 238 9.920 14.981 -8.165 1.00 0.00 H new ATOM 284 N TYR A 239 5.830 12.860 -11.066 1.00 0.00 N ATOM 285 CA TYR A 239 5.299 13.104 -12.402 1.00 0.00 C ATOM 286 C TYR A 239 4.887 14.564 -12.566 1.00 0.00 C ATOM 287 O TYR A 239 5.010 15.365 -11.639 1.00 0.00 O ATOM 288 CB TYR A 239 4.101 12.192 -12.671 1.00 0.00 C ATOM 289 CG TYR A 239 2.776 12.795 -12.263 1.00 0.00 C ATOM 290 CD1 TYR A 239 2.696 13.693 -11.205 1.00 0.00 C ATOM 291 CD2 TYR A 239 1.604 12.466 -12.933 1.00 0.00 C ATOM 292 CE1 TYR A 239 1.488 14.246 -10.828 1.00 0.00 C ATOM 293 CE2 TYR A 239 0.392 13.015 -12.563 1.00 0.00 C ATOM 294 CZ TYR A 239 0.339 13.905 -11.510 1.00 0.00 C ATOM 295 OH TYR A 239 -0.867 14.453 -11.137 1.00 0.00 O ATOM 0 H TYR A 239 5.213 13.150 -10.308 1.00 0.00 H new ATOM 0 HA TYR A 239 6.085 12.884 -13.124 1.00 0.00 H new ATOM 0 HB2 TYR A 239 4.069 11.952 -13.734 1.00 0.00 H new ATOM 0 HB3 TYR A 239 4.243 11.253 -12.136 1.00 0.00 H new ATOM 0 HD1 TYR A 239 3.594 13.963 -10.669 1.00 0.00 H new ATOM 0 HD2 TYR A 239 1.642 11.769 -13.757 1.00 0.00 H new ATOM 0 HE1 TYR A 239 1.443 14.942 -10.003 1.00 0.00 H new ATOM 0 HE2 TYR A 239 -0.509 12.749 -13.095 1.00 0.00 H new ATOM 0 HH TYR A 239 -1.527 14.306 -11.847 1.00 0.00 H new ATOM 305 N LYS A 240 4.399 14.904 -13.754 1.00 0.00 N ATOM 306 CA LYS A 240 3.966 16.266 -14.043 1.00 0.00 C ATOM 307 C LYS A 240 2.579 16.274 -14.677 1.00 0.00 C ATOM 308 O LYS A 240 1.632 16.824 -14.116 1.00 0.00 O ATOM 309 CB LYS A 240 4.968 16.955 -14.973 1.00 0.00 C ATOM 310 CG LYS A 240 4.652 18.417 -15.231 1.00 0.00 C ATOM 311 CD LYS A 240 4.709 19.235 -13.952 1.00 0.00 C ATOM 312 CE LYS A 240 4.727 20.728 -14.244 1.00 0.00 C ATOM 313 NZ LYS A 240 5.335 21.504 -13.129 1.00 0.00 N ATOM 0 H LYS A 240 4.293 14.254 -14.533 1.00 0.00 H new ATOM 0 HA LYS A 240 3.918 16.813 -13.101 1.00 0.00 H new ATOM 0 HB2 LYS A 240 5.965 16.879 -14.540 1.00 0.00 H new ATOM 0 HB3 LYS A 240 4.992 16.424 -15.925 1.00 0.00 H new ATOM 0 HG2 LYS A 240 5.361 18.821 -15.954 1.00 0.00 H new ATOM 0 HG3 LYS A 240 3.660 18.503 -15.675 1.00 0.00 H new ATOM 0 HD2 LYS A 240 3.848 18.996 -13.328 1.00 0.00 H new ATOM 0 HD3 LYS A 240 5.599 18.964 -13.385 1.00 0.00 H new ATOM 0 HE2 LYS A 240 5.286 20.912 -15.161 1.00 0.00 H new ATOM 0 HE3 LYS A 240 3.709 21.077 -14.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 5.328 22.516 -13.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 4.787 21.349 -12.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 6.315 21.189 -12.981 1.00 0.00 H new ATOM 327 N SER A 241 2.466 15.658 -15.850 1.00 0.00 N ATOM 328 CA SER A 241 1.195 15.596 -16.562 1.00 0.00 C ATOM 329 C SER A 241 0.052 15.274 -15.605 1.00 0.00 C ATOM 330 O SER A 241 0.204 14.512 -14.650 1.00 0.00 O ATOM 331 CB SER A 241 1.258 14.545 -17.672 1.00 0.00 C ATOM 332 OG SER A 241 2.411 14.722 -18.476 1.00 0.00 O ATOM 0 H SER A 241 3.240 15.195 -16.327 1.00 0.00 H new ATOM 0 HA SER A 241 1.008 16.573 -17.008 1.00 0.00 H new ATOM 0 HB2 SER A 241 1.267 13.547 -17.233 1.00 0.00 H new ATOM 0 HB3 SER A 241 0.364 14.612 -18.292 1.00 0.00 H new ATOM 0 HG SER A 241 2.429 14.037 -19.177 1.00 0.00 H new ATOM 338 N PRO A 242 -1.122 15.867 -15.866 1.00 0.00 N ATOM 339 CA PRO A 242 -2.315 15.659 -15.040 1.00 0.00 C ATOM 340 C PRO A 242 -2.883 14.251 -15.186 1.00 0.00 C ATOM 341 O PRO A 242 -3.015 13.736 -16.297 1.00 0.00 O ATOM 342 CB PRO A 242 -3.306 16.694 -15.580 1.00 0.00 C ATOM 343 CG PRO A 242 -2.872 16.936 -16.984 1.00 0.00 C ATOM 344 CD PRO A 242 -1.376 16.787 -16.987 1.00 0.00 C ATOM 0 HA PRO A 242 -2.099 15.770 -13.977 1.00 0.00 H new ATOM 0 HB2 PRO A 242 -4.329 16.321 -15.541 1.00 0.00 H new ATOM 0 HB3 PRO A 242 -3.279 17.612 -14.993 1.00 0.00 H new ATOM 0 HG2 PRO A 242 -3.337 16.222 -17.664 1.00 0.00 H new ATOM 0 HG3 PRO A 242 -3.166 17.931 -17.317 1.00 0.00 H new ATOM 0 HD2 PRO A 242 -1.015 16.379 -17.931 1.00 0.00 H new ATOM 0 HD3 PRO A 242 -0.877 17.745 -16.842 1.00 0.00 H new ATOM 352 N THR A 243 -3.218 13.633 -14.058 1.00 0.00 N ATOM 353 CA THR A 243 -3.771 12.284 -14.061 1.00 0.00 C ATOM 354 C THR A 243 -4.950 12.171 -13.101 1.00 0.00 C ATOM 355 O THR A 243 -5.041 12.914 -12.124 1.00 0.00 O ATOM 356 CB THR A 243 -2.707 11.240 -13.674 1.00 0.00 C ATOM 357 OG1 THR A 243 -3.121 9.937 -14.100 1.00 0.00 O ATOM 358 CG2 THR A 243 -2.473 11.237 -12.171 1.00 0.00 C ATOM 0 H THR A 243 -3.116 14.045 -13.131 1.00 0.00 H new ATOM 0 HA THR A 243 -4.112 12.085 -15.077 1.00 0.00 H new ATOM 0 HB THR A 243 -1.773 11.504 -14.170 1.00 0.00 H new ATOM 0 HG1 THR A 243 -2.438 9.279 -13.852 1.00 0.00 H new ATOM 0 HG21 THR A 243 -1.718 10.492 -11.922 1.00 0.00 H new ATOM 0 HG22 THR A 243 -2.129 12.222 -11.854 1.00 0.00 H new ATOM 0 HG23 THR A 243 -3.404 10.995 -11.658 1.00 0.00 H new ATOM 366 N PHE A 244 -5.851 11.236 -13.385 1.00 0.00 N ATOM 367 CA PHE A 244 -7.025 11.026 -12.547 1.00 0.00 C ATOM 368 C PHE A 244 -7.075 9.591 -12.030 1.00 0.00 C ATOM 369 O PHE A 244 -6.749 8.648 -12.751 1.00 0.00 O ATOM 370 CB PHE A 244 -8.301 11.342 -13.330 1.00 0.00 C ATOM 371 CG PHE A 244 -8.672 12.797 -13.310 1.00 0.00 C ATOM 372 CD1 PHE A 244 -7.828 13.749 -13.857 1.00 0.00 C ATOM 373 CD2 PHE A 244 -9.866 13.213 -12.743 1.00 0.00 C ATOM 374 CE1 PHE A 244 -8.167 15.089 -13.839 1.00 0.00 C ATOM 375 CE2 PHE A 244 -10.211 14.551 -12.721 1.00 0.00 C ATOM 376 CZ PHE A 244 -9.360 15.490 -13.271 1.00 0.00 C ATOM 0 H PHE A 244 -5.790 10.612 -14.189 1.00 0.00 H new ATOM 0 HA PHE A 244 -6.955 11.700 -11.693 1.00 0.00 H new ATOM 0 HB2 PHE A 244 -8.172 11.023 -14.364 1.00 0.00 H new ATOM 0 HB3 PHE A 244 -9.125 10.760 -12.917 1.00 0.00 H new ATOM 0 HD1 PHE A 244 -6.894 13.441 -14.303 1.00 0.00 H new ATOM 0 HD2 PHE A 244 -10.535 12.483 -12.313 1.00 0.00 H new ATOM 0 HE1 PHE A 244 -7.500 15.821 -14.269 1.00 0.00 H new ATOM 0 HE2 PHE A 244 -11.144 14.862 -12.275 1.00 0.00 H new ATOM 0 HZ PHE A 244 -9.627 16.536 -13.257 1.00 0.00 H new ATOM 386 N CYS A 245 -7.484 9.435 -10.775 1.00 0.00 N ATOM 387 CA CYS A 245 -7.576 8.117 -10.159 1.00 0.00 C ATOM 388 C CYS A 245 -8.581 7.239 -10.900 1.00 0.00 C ATOM 389 O CYS A 245 -9.609 7.721 -11.374 1.00 0.00 O ATOM 390 CB CYS A 245 -7.980 8.245 -8.689 1.00 0.00 C ATOM 391 SG CYS A 245 -7.330 6.919 -7.621 1.00 0.00 S ATOM 0 H CYS A 245 -7.757 10.205 -10.165 1.00 0.00 H new ATOM 0 HA CYS A 245 -6.595 7.646 -10.219 1.00 0.00 H new ATOM 0 HB2 CYS A 245 -7.632 9.206 -8.310 1.00 0.00 H new ATOM 0 HB3 CYS A 245 -9.068 8.251 -8.621 1.00 0.00 H new ATOM 0 HG CYS A 245 -6.898 7.432 -6.507 1.00 0.00 H new ATOM 396 N GLU A 246 -8.275 5.949 -10.994 1.00 0.00 N ATOM 397 CA GLU A 246 -9.152 5.005 -11.677 1.00 0.00 C ATOM 398 C GLU A 246 -10.104 4.335 -10.690 1.00 0.00 C ATOM 399 O GLU A 246 -10.810 3.388 -11.037 1.00 0.00 O ATOM 400 CB GLU A 246 -8.325 3.943 -12.405 1.00 0.00 C ATOM 401 CG GLU A 246 -7.728 4.429 -13.715 1.00 0.00 C ATOM 402 CD GLU A 246 -7.048 5.778 -13.581 1.00 0.00 C ATOM 403 OE1 GLU A 246 -5.939 5.829 -13.008 1.00 0.00 O ATOM 404 OE2 GLU A 246 -7.625 6.783 -14.047 1.00 0.00 O ATOM 0 H GLU A 246 -7.428 5.534 -10.606 1.00 0.00 H new ATOM 0 HA GLU A 246 -9.743 5.559 -12.406 1.00 0.00 H new ATOM 0 HB2 GLU A 246 -7.520 3.610 -11.750 1.00 0.00 H new ATOM 0 HB3 GLU A 246 -8.955 3.076 -12.602 1.00 0.00 H new ATOM 0 HG2 GLU A 246 -7.006 3.696 -14.075 1.00 0.00 H new ATOM 0 HG3 GLU A 246 -8.515 4.496 -14.466 1.00 0.00 H new ATOM 411 N HIS A 247 -10.118 4.834 -9.458 1.00 0.00 N ATOM 412 CA HIS A 247 -10.983 4.285 -8.421 1.00 0.00 C ATOM 413 C HIS A 247 -11.918 5.358 -7.869 1.00 0.00 C ATOM 414 O HIS A 247 -13.133 5.295 -8.060 1.00 0.00 O ATOM 415 CB HIS A 247 -10.144 3.692 -7.288 1.00 0.00 C ATOM 416 CG HIS A 247 -10.883 3.582 -5.990 1.00 0.00 C ATOM 417 ND1 HIS A 247 -11.697 2.514 -5.676 1.00 0.00 N ATOM 418 CD2 HIS A 247 -10.926 4.413 -4.922 1.00 0.00 C ATOM 419 CE1 HIS A 247 -12.210 2.694 -4.472 1.00 0.00 C ATOM 420 NE2 HIS A 247 -11.757 3.838 -3.993 1.00 0.00 N ATOM 0 H HIS A 247 -9.540 5.618 -9.154 1.00 0.00 H new ATOM 0 HA HIS A 247 -11.587 3.495 -8.867 1.00 0.00 H new ATOM 0 HB2 HIS A 247 -9.797 2.702 -7.584 1.00 0.00 H new ATOM 0 HB3 HIS A 247 -9.258 4.310 -7.141 1.00 0.00 H new ATOM 0 HD2 HIS A 247 -10.404 5.353 -4.820 1.00 0.00 H new ATOM 0 HE1 HIS A 247 -12.885 2.020 -3.966 1.00 0.00 H new ATOM 0 HE2 HIS A 247 -11.987 4.231 -3.080 1.00 0.00 H new ATOM 428 N CYS A 248 -11.344 6.341 -7.184 1.00 0.00 N ATOM 429 CA CYS A 248 -12.124 7.427 -6.604 1.00 0.00 C ATOM 430 C CYS A 248 -12.570 8.412 -7.680 1.00 0.00 C ATOM 431 O CYS A 248 -13.614 9.052 -7.557 1.00 0.00 O ATOM 432 CB CYS A 248 -11.307 8.157 -5.536 1.00 0.00 C ATOM 433 SG CYS A 248 -9.891 9.094 -6.196 1.00 0.00 S ATOM 0 H CYS A 248 -10.340 6.408 -7.017 1.00 0.00 H new ATOM 0 HA CYS A 248 -13.011 6.995 -6.141 1.00 0.00 H new ATOM 0 HB2 CYS A 248 -11.962 8.841 -4.997 1.00 0.00 H new ATOM 0 HB3 CYS A 248 -10.942 7.429 -4.812 1.00 0.00 H new ATOM 0 HG CYS A 248 -8.952 8.268 -6.551 1.00 0.00 H new ATOM 438 N GLY A 249 -11.771 8.528 -8.737 1.00 0.00 N ATOM 439 CA GLY A 249 -12.100 9.436 -9.820 1.00 0.00 C ATOM 440 C GLY A 249 -11.678 10.863 -9.528 1.00 0.00 C ATOM 441 O GLY A 249 -12.386 11.811 -9.870 1.00 0.00 O ATOM 0 H GLY A 249 -10.902 8.009 -8.862 1.00 0.00 H new ATOM 0 HA2 GLY A 249 -11.614 9.097 -10.735 1.00 0.00 H new ATOM 0 HA3 GLY A 249 -13.175 9.408 -10.000 1.00 0.00 H new ATOM 445 N THR A 250 -10.521 11.018 -8.893 1.00 0.00 N ATOM 446 CA THR A 250 -10.006 12.338 -8.552 1.00 0.00 C ATOM 447 C THR A 250 -8.504 12.422 -8.795 1.00 0.00 C ATOM 448 O THR A 250 -7.769 11.466 -8.541 1.00 0.00 O ATOM 449 CB THR A 250 -10.298 12.693 -7.082 1.00 0.00 C ATOM 450 OG1 THR A 250 -9.468 11.912 -6.215 1.00 0.00 O ATOM 451 CG2 THR A 250 -11.762 12.448 -6.747 1.00 0.00 C ATOM 0 H THR A 250 -9.922 10.245 -8.604 1.00 0.00 H new ATOM 0 HA THR A 250 -10.516 13.052 -9.198 1.00 0.00 H new ATOM 0 HB THR A 250 -10.080 13.751 -6.937 1.00 0.00 H new ATOM 0 HG1 THR A 250 -9.761 10.977 -6.237 1.00 0.00 H new ATOM 0 HG21 THR A 250 -11.945 12.706 -5.704 1.00 0.00 H new ATOM 0 HG22 THR A 250 -12.390 13.066 -7.389 1.00 0.00 H new ATOM 0 HG23 THR A 250 -12.001 11.397 -6.908 1.00 0.00 H new ATOM 459 N LEU A 251 -8.052 13.571 -9.286 1.00 0.00 N ATOM 460 CA LEU A 251 -6.635 13.780 -9.562 1.00 0.00 C ATOM 461 C LEU A 251 -5.826 13.809 -8.269 1.00 0.00 C ATOM 462 O LEU A 251 -6.388 13.790 -7.173 1.00 0.00 O ATOM 463 CB LEU A 251 -6.433 15.086 -10.332 1.00 0.00 C ATOM 464 CG LEU A 251 -6.413 16.364 -9.493 1.00 0.00 C ATOM 465 CD1 LEU A 251 -5.348 17.322 -10.004 1.00 0.00 C ATOM 466 CD2 LEU A 251 -7.781 17.030 -9.504 1.00 0.00 C ATOM 0 H LEU A 251 -8.646 14.372 -9.501 1.00 0.00 H new ATOM 0 HA LEU A 251 -6.282 12.947 -10.171 1.00 0.00 H new ATOM 0 HB2 LEU A 251 -5.493 15.020 -10.879 1.00 0.00 H new ATOM 0 HB3 LEU A 251 -7.228 15.174 -11.073 1.00 0.00 H new ATOM 0 HG LEU A 251 -6.169 16.097 -8.465 1.00 0.00 H new ATOM 0 HD11 LEU A 251 -5.349 18.226 -9.395 1.00 0.00 H new ATOM 0 HD12 LEU A 251 -4.370 16.845 -9.944 1.00 0.00 H new ATOM 0 HD13 LEU A 251 -5.561 17.583 -11.041 1.00 0.00 H new ATOM 0 HD21 LEU A 251 -7.748 17.938 -8.902 1.00 0.00 H new ATOM 0 HD22 LEU A 251 -8.054 17.283 -10.528 1.00 0.00 H new ATOM 0 HD23 LEU A 251 -8.522 16.346 -9.090 1.00 0.00 H new ATOM 478 N LEU A 252 -4.506 13.857 -8.404 1.00 0.00 N ATOM 479 CA LEU A 252 -3.619 13.891 -7.246 1.00 0.00 C ATOM 480 C LEU A 252 -2.737 15.135 -7.272 1.00 0.00 C ATOM 481 O LEU A 252 -2.596 15.786 -8.307 1.00 0.00 O ATOM 482 CB LEU A 252 -2.748 12.635 -7.209 1.00 0.00 C ATOM 483 CG LEU A 252 -3.372 11.368 -7.796 1.00 0.00 C ATOM 484 CD1 LEU A 252 -3.078 11.268 -9.284 1.00 0.00 C ATOM 485 CD2 LEU A 252 -2.860 10.134 -7.066 1.00 0.00 C ATOM 0 H LEU A 252 -4.026 13.873 -9.304 1.00 0.00 H new ATOM 0 HA LEU A 252 -4.236 13.924 -6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 252 -1.823 12.843 -7.746 1.00 0.00 H new ATOM 0 HB3 LEU A 252 -2.477 12.436 -6.172 1.00 0.00 H new ATOM 0 HG LEU A 252 -4.452 11.423 -7.663 1.00 0.00 H new ATOM 0 HD11 LEU A 252 -3.530 10.360 -9.684 1.00 0.00 H new ATOM 0 HD12 LEU A 252 -3.493 12.136 -9.796 1.00 0.00 H new ATOM 0 HD13 LEU A 252 -2.000 11.236 -9.440 1.00 0.00 H new ATOM 0 HD21 LEU A 252 -3.314 9.242 -7.497 1.00 0.00 H new ATOM 0 HD22 LEU A 252 -1.776 10.075 -7.168 1.00 0.00 H new ATOM 0 HD23 LEU A 252 -3.122 10.201 -6.010 1.00 0.00 H new ATOM 497 N TRP A 253 -2.144 15.458 -6.128 1.00 0.00 N ATOM 498 CA TRP A 253 -1.273 16.623 -6.021 1.00 0.00 C ATOM 499 C TRP A 253 -0.243 16.432 -4.913 1.00 0.00 C ATOM 500 O TRP A 253 -0.593 16.139 -3.771 1.00 0.00 O ATOM 501 CB TRP A 253 -2.101 17.881 -5.753 1.00 0.00 C ATOM 502 CG TRP A 253 -2.531 18.016 -4.324 1.00 0.00 C ATOM 503 CD1 TRP A 253 -3.635 17.459 -3.744 1.00 0.00 C ATOM 504 CD2 TRP A 253 -1.866 18.757 -3.295 1.00 0.00 C ATOM 505 NE1 TRP A 253 -3.696 17.810 -2.417 1.00 0.00 N ATOM 506 CE2 TRP A 253 -2.622 18.605 -2.117 1.00 0.00 C ATOM 507 CE3 TRP A 253 -0.704 19.533 -3.255 1.00 0.00 C ATOM 508 CZ2 TRP A 253 -2.253 19.201 -0.914 1.00 0.00 C ATOM 509 CZ3 TRP A 253 -0.340 20.124 -2.060 1.00 0.00 C ATOM 510 CH2 TRP A 253 -1.111 19.955 -0.903 1.00 0.00 C ATOM 0 H TRP A 253 -2.250 14.930 -5.262 1.00 0.00 H new ATOM 0 HA TRP A 253 -0.744 16.739 -6.967 1.00 0.00 H new ATOM 0 HB2 TRP A 253 -1.518 18.758 -6.034 1.00 0.00 H new ATOM 0 HB3 TRP A 253 -2.985 17.868 -6.391 1.00 0.00 H new ATOM 0 HD1 TRP A 253 -4.354 16.835 -4.253 1.00 0.00 H new ATOM 0 HE1 TRP A 253 -4.423 17.525 -1.761 1.00 0.00 H new ATOM 0 HE3 TRP A 253 -0.102 19.668 -4.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 253 -2.847 19.073 -0.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 253 0.555 20.727 -2.018 1.00 0.00 H new ATOM 0 HH2 TRP A 253 -0.798 20.429 0.016 1.00 0.00 H new ATOM 521 N GLY A 254 1.030 16.601 -5.259 1.00 0.00 N ATOM 522 CA GLY A 254 2.091 16.443 -4.282 1.00 0.00 C ATOM 523 C GLY A 254 3.428 16.945 -4.791 1.00 0.00 C ATOM 524 O GLY A 254 3.685 16.935 -5.996 1.00 0.00 O ATOM 0 H GLY A 254 1.345 16.844 -6.198 1.00 0.00 H new ATOM 0 HA2 GLY A 254 1.826 16.982 -3.372 1.00 0.00 H new ATOM 0 HA3 GLY A 254 2.180 15.390 -4.014 1.00 0.00 H new ATOM 528 N LEU A 255 4.280 17.386 -3.873 1.00 0.00 N ATOM 529 CA LEU A 255 5.598 17.897 -4.236 1.00 0.00 C ATOM 530 C LEU A 255 6.388 16.856 -5.023 1.00 0.00 C ATOM 531 O LEU A 255 6.692 17.052 -6.199 1.00 0.00 O ATOM 532 CB LEU A 255 6.374 18.300 -2.981 1.00 0.00 C ATOM 533 CG LEU A 255 7.894 18.379 -3.128 1.00 0.00 C ATOM 534 CD1 LEU A 255 8.288 19.595 -3.952 1.00 0.00 C ATOM 535 CD2 LEU A 255 8.560 18.421 -1.760 1.00 0.00 C ATOM 0 H LEU A 255 4.083 17.400 -2.872 1.00 0.00 H new ATOM 0 HA LEU A 255 5.459 18.775 -4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 255 6.010 19.273 -2.650 1.00 0.00 H new ATOM 0 HB3 LEU A 255 6.142 17.587 -2.190 1.00 0.00 H new ATOM 0 HG LEU A 255 8.237 17.486 -3.650 1.00 0.00 H new ATOM 0 HD11 LEU A 255 9.373 19.635 -4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 255 7.840 19.523 -4.943 1.00 0.00 H new ATOM 0 HD13 LEU A 255 7.933 20.500 -3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 255 9.642 18.477 -1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 255 8.211 19.297 -1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 255 8.305 17.519 -1.203 1.00 0.00 H new ATOM 547 N ALA A 256 6.713 15.747 -4.367 1.00 0.00 N ATOM 548 CA ALA A 256 7.463 14.673 -5.006 1.00 0.00 C ATOM 549 C ALA A 256 6.647 13.385 -5.052 1.00 0.00 C ATOM 550 O ALA A 256 6.432 12.813 -6.121 1.00 0.00 O ATOM 551 CB ALA A 256 8.778 14.441 -4.277 1.00 0.00 C ATOM 0 H ALA A 256 6.468 15.569 -3.393 1.00 0.00 H new ATOM 0 HA ALA A 256 7.677 14.973 -6.032 1.00 0.00 H new ATOM 0 HB1 ALA A 256 9.328 13.636 -4.765 1.00 0.00 H new ATOM 0 HB2 ALA A 256 9.373 15.354 -4.301 1.00 0.00 H new ATOM 0 HB3 ALA A 256 8.576 14.167 -3.242 1.00 0.00 H new ATOM 557 N ARG A 257 6.196 12.935 -3.886 1.00 0.00 N ATOM 558 CA ARG A 257 5.405 11.713 -3.793 1.00 0.00 C ATOM 559 C ARG A 257 4.016 11.918 -4.390 1.00 0.00 C ATOM 560 O ARG A 257 3.026 12.004 -3.664 1.00 0.00 O ATOM 561 CB ARG A 257 5.285 11.268 -2.335 1.00 0.00 C ATOM 562 CG ARG A 257 6.613 11.234 -1.597 1.00 0.00 C ATOM 563 CD ARG A 257 6.419 11.359 -0.094 1.00 0.00 C ATOM 564 NE ARG A 257 5.802 12.631 0.274 1.00 0.00 N ATOM 565 CZ ARG A 257 5.621 13.023 1.530 1.00 0.00 C ATOM 566 NH1 ARG A 257 6.007 12.247 2.533 1.00 0.00 N ATOM 567 NH2 ARG A 257 5.052 14.195 1.785 1.00 0.00 N ATOM 0 H ARG A 257 6.364 13.398 -2.993 1.00 0.00 H new ATOM 0 HA ARG A 257 5.915 10.936 -4.362 1.00 0.00 H new ATOM 0 HB2 ARG A 257 4.606 11.942 -1.813 1.00 0.00 H new ATOM 0 HB3 ARG A 257 4.836 10.275 -2.303 1.00 0.00 H new ATOM 0 HG2 ARG A 257 7.131 10.302 -1.822 1.00 0.00 H new ATOM 0 HG3 ARG A 257 7.248 12.046 -1.952 1.00 0.00 H new ATOM 0 HD2 ARG A 257 5.796 10.538 0.261 1.00 0.00 H new ATOM 0 HD3 ARG A 257 7.384 11.266 0.405 1.00 0.00 H new ATOM 0 HE ARG A 257 5.493 13.252 -0.474 1.00 0.00 H new ATOM 0 HH11 ARG A 257 6.445 11.346 2.341 1.00 0.00 H new ATOM 0 HH12 ARG A 257 5.866 12.551 3.496 1.00 0.00 H new ATOM 0 HH21 ARG A 257 4.753 14.795 1.016 1.00 0.00 H new ATOM 0 HH22 ARG A 257 4.913 14.495 2.750 1.00 0.00 H new ATOM 581 N GLN A 258 3.952 11.997 -5.715 1.00 0.00 N ATOM 582 CA GLN A 258 2.685 12.193 -6.408 1.00 0.00 C ATOM 583 C GLN A 258 1.978 10.861 -6.638 1.00 0.00 C ATOM 584 O GLN A 258 2.163 10.219 -7.671 1.00 0.00 O ATOM 585 CB GLN A 258 2.914 12.899 -7.745 1.00 0.00 C ATOM 586 CG GLN A 258 3.116 14.400 -7.614 1.00 0.00 C ATOM 587 CD GLN A 258 1.811 15.171 -7.660 1.00 0.00 C ATOM 588 OE1 GLN A 258 1.787 16.354 -7.999 1.00 0.00 O ATOM 589 NE2 GLN A 258 0.716 14.502 -7.318 1.00 0.00 N ATOM 0 H GLN A 258 4.763 11.928 -6.330 1.00 0.00 H new ATOM 0 HA GLN A 258 2.050 12.817 -5.780 1.00 0.00 H new ATOM 0 HB2 GLN A 258 3.788 12.464 -8.231 1.00 0.00 H new ATOM 0 HB3 GLN A 258 2.060 12.711 -8.396 1.00 0.00 H new ATOM 0 HG2 GLN A 258 3.627 14.613 -6.675 1.00 0.00 H new ATOM 0 HG3 GLN A 258 3.767 14.747 -8.417 1.00 0.00 H new ATOM 0 HE21 GLN A 258 0.782 13.522 -7.043 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -0.191 14.968 -7.330 1.00 0.00 H new ATOM 598 N GLY A 259 1.167 10.452 -5.667 1.00 0.00 N ATOM 599 CA GLY A 259 0.445 9.198 -5.782 1.00 0.00 C ATOM 600 C GLY A 259 1.368 8.015 -5.995 1.00 0.00 C ATOM 601 O GLY A 259 2.495 8.000 -5.498 1.00 0.00 O ATOM 0 H GLY A 259 0.997 10.967 -4.803 1.00 0.00 H new ATOM 0 HA2 GLY A 259 -0.144 9.037 -4.879 1.00 0.00 H new ATOM 0 HA3 GLY A 259 -0.257 9.261 -6.613 1.00 0.00 H new ATOM 605 N LEU A 260 0.891 7.020 -6.735 1.00 0.00 N ATOM 606 CA LEU A 260 1.681 5.825 -7.011 1.00 0.00 C ATOM 607 C LEU A 260 1.358 5.267 -8.393 1.00 0.00 C ATOM 608 O LEU A 260 0.221 4.886 -8.671 1.00 0.00 O ATOM 609 CB LEU A 260 1.421 4.760 -5.944 1.00 0.00 C ATOM 610 CG LEU A 260 1.402 5.250 -4.496 1.00 0.00 C ATOM 611 CD1 LEU A 260 0.664 4.261 -3.607 1.00 0.00 C ATOM 612 CD2 LEU A 260 2.819 5.473 -3.989 1.00 0.00 C ATOM 0 H LEU A 260 -0.039 7.017 -7.155 1.00 0.00 H new ATOM 0 HA LEU A 260 2.735 6.102 -6.989 1.00 0.00 H new ATOM 0 HB2 LEU A 260 0.463 4.286 -6.158 1.00 0.00 H new ATOM 0 HB3 LEU A 260 2.186 3.989 -6.035 1.00 0.00 H new ATOM 0 HG LEU A 260 0.872 6.202 -4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 260 0.661 4.627 -2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 260 -0.363 4.153 -3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 260 1.164 3.293 -3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 260 2.785 5.822 -2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 260 3.375 4.536 -4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 260 3.314 6.221 -4.609 1.00 0.00 H new ATOM 624 N LYS A 261 2.367 5.218 -9.256 1.00 0.00 N ATOM 625 CA LYS A 261 2.194 4.703 -10.609 1.00 0.00 C ATOM 626 C LYS A 261 2.694 3.266 -10.713 1.00 0.00 C ATOM 627 O LYS A 261 3.896 3.009 -10.636 1.00 0.00 O ATOM 628 CB LYS A 261 2.937 5.587 -11.613 1.00 0.00 C ATOM 629 CG LYS A 261 3.250 4.887 -12.925 1.00 0.00 C ATOM 630 CD LYS A 261 1.986 4.597 -13.717 1.00 0.00 C ATOM 631 CE LYS A 261 2.252 4.605 -15.214 1.00 0.00 C ATOM 632 NZ LYS A 261 3.213 3.540 -15.613 1.00 0.00 N ATOM 0 H LYS A 261 3.314 5.529 -9.042 1.00 0.00 H new ATOM 0 HA LYS A 261 1.129 4.716 -10.842 1.00 0.00 H new ATOM 0 HB2 LYS A 261 2.337 6.473 -11.818 1.00 0.00 H new ATOM 0 HB3 LYS A 261 3.868 5.930 -11.163 1.00 0.00 H new ATOM 0 HG2 LYS A 261 3.919 5.509 -13.520 1.00 0.00 H new ATOM 0 HG3 LYS A 261 3.777 3.954 -12.724 1.00 0.00 H new ATOM 0 HD2 LYS A 261 1.586 3.627 -13.423 1.00 0.00 H new ATOM 0 HD3 LYS A 261 1.227 5.341 -13.477 1.00 0.00 H new ATOM 0 HE2 LYS A 261 1.313 4.466 -15.750 1.00 0.00 H new ATOM 0 HE3 LYS A 261 2.646 5.578 -15.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 261 4.135 3.969 -15.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 261 3.324 2.862 -14.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 261 2.853 3.044 -16.453 1.00 0.00 H new ATOM 646 N CYS A 262 1.766 2.331 -10.888 1.00 0.00 N ATOM 647 CA CYS A 262 2.113 0.920 -11.003 1.00 0.00 C ATOM 648 C CYS A 262 3.125 0.698 -12.124 1.00 0.00 C ATOM 649 O CYS A 262 2.941 1.175 -13.244 1.00 0.00 O ATOM 650 CB CYS A 262 0.857 0.085 -11.262 1.00 0.00 C ATOM 651 SG CYS A 262 0.942 -1.610 -10.600 1.00 0.00 S ATOM 0 H CYS A 262 0.767 2.526 -10.953 1.00 0.00 H new ATOM 0 HA CYS A 262 2.564 0.604 -10.062 1.00 0.00 H new ATOM 0 HB2 CYS A 262 -0.001 0.593 -10.822 1.00 0.00 H new ATOM 0 HB3 CYS A 262 0.682 0.036 -12.337 1.00 0.00 H new ATOM 0 HG CYS A 262 -0.255 -2.112 -10.538 1.00 0.00 H new ATOM 656 N ASP A 263 4.193 -0.028 -11.813 1.00 0.00 N ATOM 657 CA ASP A 263 5.234 -0.315 -12.793 1.00 0.00 C ATOM 658 C ASP A 263 5.016 -1.683 -13.433 1.00 0.00 C ATOM 659 O ASP A 263 5.807 -2.122 -14.267 1.00 0.00 O ATOM 660 CB ASP A 263 6.613 -0.260 -12.135 1.00 0.00 C ATOM 661 CG ASP A 263 7.235 1.120 -12.210 1.00 0.00 C ATOM 662 OD1 ASP A 263 6.927 1.959 -11.336 1.00 0.00 O ATOM 663 OD2 ASP A 263 8.032 1.362 -13.140 1.00 0.00 O ATOM 0 H ASP A 263 4.361 -0.429 -10.890 1.00 0.00 H new ATOM 0 HA ASP A 263 5.182 0.444 -13.574 1.00 0.00 H new ATOM 0 HB2 ASP A 263 6.526 -0.560 -11.091 1.00 0.00 H new ATOM 0 HB3 ASP A 263 7.273 -0.980 -12.620 1.00 0.00 H new ATOM 668 N ALA A 264 3.938 -2.351 -13.036 1.00 0.00 N ATOM 669 CA ALA A 264 3.616 -3.668 -13.571 1.00 0.00 C ATOM 670 C ALA A 264 2.578 -3.570 -14.683 1.00 0.00 C ATOM 671 O ALA A 264 2.765 -4.115 -15.771 1.00 0.00 O ATOM 672 CB ALA A 264 3.118 -4.581 -12.460 1.00 0.00 C ATOM 0 H ALA A 264 3.273 -2.002 -12.346 1.00 0.00 H new ATOM 0 HA ALA A 264 4.525 -4.093 -13.996 1.00 0.00 H new ATOM 0 HB1 ALA A 264 2.881 -5.561 -12.873 1.00 0.00 H new ATOM 0 HB2 ALA A 264 3.892 -4.685 -11.700 1.00 0.00 H new ATOM 0 HB3 ALA A 264 2.223 -4.151 -12.010 1.00 0.00 H new ATOM 678 N CYS A 265 1.482 -2.872 -14.404 1.00 0.00 N ATOM 679 CA CYS A 265 0.413 -2.703 -15.380 1.00 0.00 C ATOM 680 C CYS A 265 0.401 -1.280 -15.933 1.00 0.00 C ATOM 681 O CYS A 265 0.108 -1.062 -17.108 1.00 0.00 O ATOM 682 CB CYS A 265 -0.941 -3.027 -14.746 1.00 0.00 C ATOM 683 SG CYS A 265 -1.405 -1.919 -13.377 1.00 0.00 S ATOM 0 H CYS A 265 1.311 -2.414 -13.509 1.00 0.00 H new ATOM 0 HA CYS A 265 0.595 -3.393 -16.204 1.00 0.00 H new ATOM 0 HB2 CYS A 265 -1.711 -2.978 -15.516 1.00 0.00 H new ATOM 0 HB3 CYS A 265 -0.922 -4.053 -14.378 1.00 0.00 H new ATOM 0 HG CYS A 265 -0.458 -1.909 -12.487 1.00 0.00 H new ATOM 688 N GLY A 266 0.722 -0.316 -15.076 1.00 0.00 N ATOM 689 CA GLY A 266 0.742 1.073 -15.496 1.00 0.00 C ATOM 690 C GLY A 266 -0.546 1.799 -15.163 1.00 0.00 C ATOM 691 O GLY A 266 -1.351 2.087 -16.048 1.00 0.00 O ATOM 0 H GLY A 266 0.969 -0.472 -14.099 1.00 0.00 H new ATOM 0 HA2 GLY A 266 1.577 1.583 -15.015 1.00 0.00 H new ATOM 0 HA3 GLY A 266 0.915 1.122 -16.571 1.00 0.00 H new ATOM 695 N MET A 267 -0.744 2.093 -13.882 1.00 0.00 N ATOM 696 CA MET A 267 -1.944 2.789 -13.434 1.00 0.00 C ATOM 697 C MET A 267 -1.630 3.722 -12.269 1.00 0.00 C ATOM 698 O MET A 267 -0.916 3.349 -11.339 1.00 0.00 O ATOM 699 CB MET A 267 -3.019 1.781 -13.020 1.00 0.00 C ATOM 700 CG MET A 267 -4.352 2.424 -12.672 1.00 0.00 C ATOM 701 SD MET A 267 -5.675 1.214 -12.473 1.00 0.00 S ATOM 702 CE MET A 267 -4.746 -0.217 -11.930 1.00 0.00 C ATOM 0 H MET A 267 -0.089 1.860 -13.136 1.00 0.00 H new ATOM 0 HA MET A 267 -2.317 3.388 -14.265 1.00 0.00 H new ATOM 0 HB2 MET A 267 -3.169 1.068 -13.831 1.00 0.00 H new ATOM 0 HB3 MET A 267 -2.662 1.214 -12.160 1.00 0.00 H new ATOM 0 HG2 MET A 267 -4.246 2.996 -11.750 1.00 0.00 H new ATOM 0 HG3 MET A 267 -4.626 3.131 -13.455 1.00 0.00 H new ATOM 0 HE1 MET A 267 -5.435 -1.018 -11.662 1.00 0.00 H new ATOM 0 HE2 MET A 267 -4.093 -0.554 -12.735 1.00 0.00 H new ATOM 0 HE3 MET A 267 -4.143 0.049 -11.061 1.00 0.00 H new ATOM 712 N ASN A 268 -2.167 4.936 -12.327 1.00 0.00 N ATOM 713 CA ASN A 268 -1.942 5.922 -11.277 1.00 0.00 C ATOM 714 C ASN A 268 -3.077 5.899 -10.257 1.00 0.00 C ATOM 715 O ASN A 268 -4.224 6.205 -10.582 1.00 0.00 O ATOM 716 CB ASN A 268 -1.814 7.322 -11.881 1.00 0.00 C ATOM 717 CG ASN A 268 -0.591 7.458 -12.768 1.00 0.00 C ATOM 718 OD1 ASN A 268 -0.441 6.737 -13.754 1.00 0.00 O ATOM 719 ND2 ASN A 268 0.292 8.387 -12.419 1.00 0.00 N ATOM 0 H ASN A 268 -2.761 5.261 -13.090 1.00 0.00 H new ATOM 0 HA ASN A 268 -1.013 5.667 -10.767 1.00 0.00 H new ATOM 0 HB2 ASN A 268 -2.708 7.547 -12.462 1.00 0.00 H new ATOM 0 HB3 ASN A 268 -1.761 8.058 -11.079 1.00 0.00 H new ATOM 0 HD21 ASN A 268 1.135 8.525 -12.977 1.00 0.00 H new ATOM 0 HD22 ASN A 268 0.127 8.963 -11.593 1.00 0.00 H new ATOM 726 N VAL A 269 -2.747 5.535 -9.021 1.00 0.00 N ATOM 727 CA VAL A 269 -3.738 5.473 -7.953 1.00 0.00 C ATOM 728 C VAL A 269 -3.208 6.114 -6.675 1.00 0.00 C ATOM 729 O VAL A 269 -2.004 6.105 -6.416 1.00 0.00 O ATOM 730 CB VAL A 269 -4.150 4.020 -7.653 1.00 0.00 C ATOM 731 CG1 VAL A 269 -5.087 3.497 -8.731 1.00 0.00 C ATOM 732 CG2 VAL A 269 -2.921 3.133 -7.528 1.00 0.00 C ATOM 0 H VAL A 269 -1.802 5.279 -8.735 1.00 0.00 H new ATOM 0 HA VAL A 269 -4.611 6.026 -8.299 1.00 0.00 H new ATOM 0 HB VAL A 269 -4.682 4.001 -6.702 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -5.367 2.469 -8.502 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -5.982 4.118 -8.767 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -4.584 3.529 -9.697 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -3.231 2.110 -7.316 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -2.359 3.156 -8.462 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -2.291 3.497 -6.716 1.00 0.00 H new ATOM 742 N HIS A 270 -4.115 6.669 -5.878 1.00 0.00 N ATOM 743 CA HIS A 270 -3.739 7.314 -4.625 1.00 0.00 C ATOM 744 C HIS A 270 -3.145 6.301 -3.649 1.00 0.00 C ATOM 745 O HIS A 270 -3.247 5.092 -3.856 1.00 0.00 O ATOM 746 CB HIS A 270 -4.953 7.996 -3.994 1.00 0.00 C ATOM 747 CG HIS A 270 -5.331 9.282 -4.661 1.00 0.00 C ATOM 748 ND1 HIS A 270 -6.514 9.453 -5.350 1.00 0.00 N ATOM 749 CD2 HIS A 270 -4.676 10.464 -4.742 1.00 0.00 C ATOM 750 CE1 HIS A 270 -6.569 10.684 -5.826 1.00 0.00 C ATOM 751 NE2 HIS A 270 -5.466 11.318 -5.471 1.00 0.00 N ATOM 0 H HIS A 270 -5.115 6.685 -6.077 1.00 0.00 H new ATOM 0 HA HIS A 270 -2.982 8.067 -4.845 1.00 0.00 H new ATOM 0 HB2 HIS A 270 -5.802 7.314 -4.031 1.00 0.00 H new ATOM 0 HB3 HIS A 270 -4.745 8.190 -2.942 1.00 0.00 H new ATOM 0 HD2 HIS A 270 -3.712 10.693 -4.313 1.00 0.00 H new ATOM 0 HE1 HIS A 270 -7.378 11.101 -6.407 1.00 0.00 H new ATOM 0 HE2 HIS A 270 -5.238 12.285 -5.701 1.00 0.00 H new ATOM 759 N HIS A 271 -2.526 6.804 -2.586 1.00 0.00 N ATOM 760 CA HIS A 271 -1.916 5.943 -1.579 1.00 0.00 C ATOM 761 C HIS A 271 -2.964 5.051 -0.920 1.00 0.00 C ATOM 762 O HIS A 271 -2.651 3.961 -0.440 1.00 0.00 O ATOM 763 CB HIS A 271 -1.208 6.786 -0.518 1.00 0.00 C ATOM 764 CG HIS A 271 -0.258 7.794 -1.090 1.00 0.00 C ATOM 765 ND1 HIS A 271 1.101 7.581 -1.180 1.00 0.00 N ATOM 766 CD2 HIS A 271 -0.480 9.027 -1.603 1.00 0.00 C ATOM 767 CE1 HIS A 271 1.675 8.640 -1.723 1.00 0.00 C ATOM 768 NE2 HIS A 271 0.738 9.531 -1.990 1.00 0.00 N ATOM 0 H HIS A 271 -2.434 7.803 -2.400 1.00 0.00 H new ATOM 0 HA HIS A 271 -1.183 5.307 -2.076 1.00 0.00 H new ATOM 0 HB2 HIS A 271 -1.956 7.304 0.082 1.00 0.00 H new ATOM 0 HB3 HIS A 271 -0.662 6.125 0.155 1.00 0.00 H new ATOM 0 HD2 HIS A 271 -1.436 9.522 -1.691 1.00 0.00 H new ATOM 0 HE1 HIS A 271 2.731 8.757 -1.916 1.00 0.00 H new ATOM 0 HE2 HIS A 271 0.893 10.445 -2.415 1.00 0.00 H new ATOM 776 N ARG A 272 -4.207 5.521 -0.902 1.00 0.00 N ATOM 777 CA ARG A 272 -5.299 4.766 -0.300 1.00 0.00 C ATOM 778 C ARG A 272 -6.023 3.927 -1.350 1.00 0.00 C ATOM 779 O ARG A 272 -6.029 2.698 -1.281 1.00 0.00 O ATOM 780 CB ARG A 272 -6.288 5.715 0.381 1.00 0.00 C ATOM 781 CG ARG A 272 -7.175 5.033 1.410 1.00 0.00 C ATOM 782 CD ARG A 272 -6.363 4.165 2.358 1.00 0.00 C ATOM 783 NE ARG A 272 -7.114 3.815 3.560 1.00 0.00 N ATOM 784 CZ ARG A 272 -7.462 4.696 4.491 1.00 0.00 C ATOM 785 NH1 ARG A 272 -7.127 5.972 4.359 1.00 0.00 N ATOM 786 NH2 ARG A 272 -8.146 4.301 5.558 1.00 0.00 N ATOM 0 H ARG A 272 -4.483 6.420 -1.297 1.00 0.00 H new ATOM 0 HA ARG A 272 -4.876 4.095 0.448 1.00 0.00 H new ATOM 0 HB2 ARG A 272 -5.733 6.517 0.867 1.00 0.00 H new ATOM 0 HB3 ARG A 272 -6.917 6.178 -0.379 1.00 0.00 H new ATOM 0 HG2 ARG A 272 -7.718 5.787 1.980 1.00 0.00 H new ATOM 0 HG3 ARG A 272 -7.919 4.420 0.901 1.00 0.00 H new ATOM 0 HD2 ARG A 272 -6.058 3.254 1.843 1.00 0.00 H new ATOM 0 HD3 ARG A 272 -5.452 4.692 2.641 1.00 0.00 H new ATOM 0 HE ARG A 272 -7.386 2.841 3.692 1.00 0.00 H new ATOM 0 HH11 ARG A 272 -6.601 6.279 3.541 1.00 0.00 H new ATOM 0 HH12 ARG A 272 -7.396 6.647 5.075 1.00 0.00 H new ATOM 0 HH21 ARG A 272 -8.405 3.320 5.663 1.00 0.00 H new ATOM 0 HH22 ARG A 272 -8.413 4.978 6.272 1.00 0.00 H new ATOM 800 N CYS A 273 -6.633 4.600 -2.320 1.00 0.00 N ATOM 801 CA CYS A 273 -7.361 3.919 -3.383 1.00 0.00 C ATOM 802 C CYS A 273 -6.542 2.761 -3.947 1.00 0.00 C ATOM 803 O CYS A 273 -7.088 1.842 -4.558 1.00 0.00 O ATOM 804 CB CYS A 273 -7.711 4.902 -4.502 1.00 0.00 C ATOM 805 SG CYS A 273 -8.271 6.531 -3.911 1.00 0.00 S ATOM 0 H CYS A 273 -6.637 5.617 -2.391 1.00 0.00 H new ATOM 0 HA CYS A 273 -8.282 3.518 -2.959 1.00 0.00 H new ATOM 0 HB2 CYS A 273 -6.836 5.039 -5.138 1.00 0.00 H new ATOM 0 HB3 CYS A 273 -8.492 4.465 -5.124 1.00 0.00 H new ATOM 0 HG CYS A 273 -8.782 7.200 -4.902 1.00 0.00 H new ATOM 810 N GLN A 274 -5.231 2.813 -3.736 1.00 0.00 N ATOM 811 CA GLN A 274 -4.337 1.768 -4.223 1.00 0.00 C ATOM 812 C GLN A 274 -4.886 0.384 -3.893 1.00 0.00 C ATOM 813 O GLN A 274 -4.982 -0.482 -4.763 1.00 0.00 O ATOM 814 CB GLN A 274 -2.944 1.936 -3.616 1.00 0.00 C ATOM 815 CG GLN A 274 -2.756 1.185 -2.307 1.00 0.00 C ATOM 816 CD GLN A 274 -1.338 1.275 -1.781 1.00 0.00 C ATOM 817 OE1 GLN A 274 -0.763 0.279 -1.339 1.00 0.00 O ATOM 818 NE2 GLN A 274 -0.764 2.472 -1.825 1.00 0.00 N ATOM 0 H GLN A 274 -4.764 3.567 -3.232 1.00 0.00 H new ATOM 0 HA GLN A 274 -4.267 1.861 -5.307 1.00 0.00 H new ATOM 0 HB2 GLN A 274 -2.200 1.590 -4.334 1.00 0.00 H new ATOM 0 HB3 GLN A 274 -2.756 2.996 -3.447 1.00 0.00 H new ATOM 0 HG2 GLN A 274 -3.442 1.586 -1.561 1.00 0.00 H new ATOM 0 HG3 GLN A 274 -3.020 0.137 -2.453 1.00 0.00 H new ATOM 0 HE21 GLN A 274 -1.277 3.270 -2.199 1.00 0.00 H new ATOM 0 HE22 GLN A 274 0.190 2.593 -1.484 1.00 0.00 H new ATOM 827 N THR A 275 -5.245 0.182 -2.629 1.00 0.00 N ATOM 828 CA THR A 275 -5.783 -1.097 -2.183 1.00 0.00 C ATOM 829 C THR A 275 -7.153 -1.362 -2.798 1.00 0.00 C ATOM 830 O THR A 275 -7.453 -2.482 -3.213 1.00 0.00 O ATOM 831 CB THR A 275 -5.903 -1.152 -0.649 1.00 0.00 C ATOM 832 OG1 THR A 275 -6.196 0.152 -0.133 1.00 0.00 O ATOM 833 CG2 THR A 275 -4.618 -1.673 -0.024 1.00 0.00 C ATOM 0 H THR A 275 -5.173 0.888 -1.896 1.00 0.00 H new ATOM 0 HA THR A 275 -5.084 -1.866 -2.513 1.00 0.00 H new ATOM 0 HB THR A 275 -6.715 -1.834 -0.395 1.00 0.00 H new ATOM 0 HG1 THR A 275 -6.115 0.143 0.844 1.00 0.00 H new ATOM 0 HG21 THR A 275 -4.727 -1.703 1.060 1.00 0.00 H new ATOM 0 HG22 THR A 275 -4.413 -2.677 -0.396 1.00 0.00 H new ATOM 0 HG23 THR A 275 -3.792 -1.013 -0.288 1.00 0.00 H new ATOM 841 N LYS A 276 -7.981 -0.325 -2.855 1.00 0.00 N ATOM 842 CA LYS A 276 -9.320 -0.445 -3.421 1.00 0.00 C ATOM 843 C LYS A 276 -9.273 -1.111 -4.792 1.00 0.00 C ATOM 844 O LYS A 276 -10.243 -1.733 -5.225 1.00 0.00 O ATOM 845 CB LYS A 276 -9.972 0.935 -3.536 1.00 0.00 C ATOM 846 CG LYS A 276 -10.752 1.343 -2.297 1.00 0.00 C ATOM 847 CD LYS A 276 -9.942 1.121 -1.031 1.00 0.00 C ATOM 848 CE LYS A 276 -8.922 2.229 -0.819 1.00 0.00 C ATOM 849 NZ LYS A 276 -8.330 2.184 0.546 1.00 0.00 N ATOM 0 H LYS A 276 -7.749 0.609 -2.516 1.00 0.00 H new ATOM 0 HA LYS A 276 -9.915 -1.068 -2.754 1.00 0.00 H new ATOM 0 HB2 LYS A 276 -9.199 1.678 -3.730 1.00 0.00 H new ATOM 0 HB3 LYS A 276 -10.642 0.941 -4.396 1.00 0.00 H new ATOM 0 HG2 LYS A 276 -11.032 2.394 -2.372 1.00 0.00 H new ATOM 0 HG3 LYS A 276 -11.678 0.770 -2.243 1.00 0.00 H new ATOM 0 HD2 LYS A 276 -10.612 1.073 -0.173 1.00 0.00 H new ATOM 0 HD3 LYS A 276 -9.430 0.160 -1.089 1.00 0.00 H new ATOM 0 HE2 LYS A 276 -8.129 2.140 -1.562 1.00 0.00 H new ATOM 0 HE3 LYS A 276 -9.399 3.196 -0.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 276 -7.332 2.475 0.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 276 -8.851 2.830 1.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 276 -8.392 1.215 0.920 1.00 0.00 H new ATOM 863 N VAL A 277 -8.137 -0.980 -5.471 1.00 0.00 N ATOM 864 CA VAL A 277 -7.963 -1.572 -6.792 1.00 0.00 C ATOM 865 C VAL A 277 -7.736 -3.076 -6.694 1.00 0.00 C ATOM 866 O VAL A 277 -6.851 -3.535 -5.973 1.00 0.00 O ATOM 867 CB VAL A 277 -6.779 -0.933 -7.542 1.00 0.00 C ATOM 868 CG1 VAL A 277 -6.966 -1.062 -9.046 1.00 0.00 C ATOM 869 CG2 VAL A 277 -6.619 0.526 -7.140 1.00 0.00 C ATOM 0 H VAL A 277 -7.324 -0.469 -5.128 1.00 0.00 H new ATOM 0 HA VAL A 277 -8.881 -1.381 -7.348 1.00 0.00 H new ATOM 0 HB VAL A 277 -5.868 -1.465 -7.267 1.00 0.00 H new ATOM 0 HG11 VAL A 277 -6.120 -0.605 -9.558 1.00 0.00 H new ATOM 0 HG12 VAL A 277 -7.027 -2.116 -9.316 1.00 0.00 H new ATOM 0 HG13 VAL A 277 -7.885 -0.558 -9.343 1.00 0.00 H new ATOM 0 HG21 VAL A 277 -5.778 0.962 -7.679 1.00 0.00 H new ATOM 0 HG22 VAL A 277 -7.530 1.073 -7.385 1.00 0.00 H new ATOM 0 HG23 VAL A 277 -6.435 0.590 -6.068 1.00 0.00 H new ATOM 879 N ALA A 278 -8.541 -3.839 -7.426 1.00 0.00 N ATOM 880 CA ALA A 278 -8.427 -5.292 -7.424 1.00 0.00 C ATOM 881 C ALA A 278 -6.970 -5.728 -7.528 1.00 0.00 C ATOM 882 O ALA A 278 -6.202 -5.177 -8.316 1.00 0.00 O ATOM 883 CB ALA A 278 -9.241 -5.887 -8.564 1.00 0.00 C ATOM 0 H ALA A 278 -9.279 -3.475 -8.028 1.00 0.00 H new ATOM 0 HA ALA A 278 -8.823 -5.662 -6.478 1.00 0.00 H new ATOM 0 HB1 ALA A 278 -9.147 -6.973 -8.550 1.00 0.00 H new ATOM 0 HB2 ALA A 278 -10.289 -5.612 -8.445 1.00 0.00 H new ATOM 0 HB3 ALA A 278 -8.871 -5.503 -9.515 1.00 0.00 H new ATOM 889 N ASN A 279 -6.595 -6.721 -6.727 1.00 0.00 N ATOM 890 CA ASN A 279 -5.228 -7.230 -6.729 1.00 0.00 C ATOM 891 C ASN A 279 -4.976 -8.107 -7.951 1.00 0.00 C ATOM 892 O ASN A 279 -4.502 -9.238 -7.830 1.00 0.00 O ATOM 893 CB ASN A 279 -4.957 -8.026 -5.451 1.00 0.00 C ATOM 894 CG ASN A 279 -3.490 -8.021 -5.067 1.00 0.00 C ATOM 895 OD1 ASN A 279 -3.007 -7.086 -4.428 1.00 0.00 O ATOM 896 ND2 ASN A 279 -2.773 -9.069 -5.456 1.00 0.00 N ATOM 0 H ASN A 279 -7.218 -7.189 -6.069 1.00 0.00 H new ATOM 0 HA ASN A 279 -4.549 -6.378 -6.770 1.00 0.00 H new ATOM 0 HB2 ASN A 279 -5.545 -7.608 -4.634 1.00 0.00 H new ATOM 0 HB3 ASN A 279 -5.290 -9.055 -5.589 1.00 0.00 H new ATOM 0 HD21 ASN A 279 -1.781 -9.121 -5.227 1.00 0.00 H new ATOM 0 HD22 ASN A 279 -3.215 -9.822 -5.984 1.00 0.00 H new ATOM 903 N LEU A 280 -5.295 -7.579 -9.128 1.00 0.00 N ATOM 904 CA LEU A 280 -5.102 -8.313 -10.373 1.00 0.00 C ATOM 905 C LEU A 280 -4.258 -7.507 -11.356 1.00 0.00 C ATOM 906 O LEU A 280 -4.783 -6.900 -12.289 1.00 0.00 O ATOM 907 CB LEU A 280 -6.454 -8.651 -11.003 1.00 0.00 C ATOM 908 CG LEU A 280 -7.407 -9.481 -10.142 1.00 0.00 C ATOM 909 CD1 LEU A 280 -8.172 -8.587 -9.178 1.00 0.00 C ATOM 910 CD2 LEU A 280 -8.370 -10.269 -11.020 1.00 0.00 C ATOM 0 H LEU A 280 -5.688 -6.645 -9.246 1.00 0.00 H new ATOM 0 HA LEU A 280 -4.573 -9.238 -10.142 1.00 0.00 H new ATOM 0 HB2 LEU A 280 -6.953 -7.718 -11.266 1.00 0.00 H new ATOM 0 HB3 LEU A 280 -6.274 -9.190 -11.933 1.00 0.00 H new ATOM 0 HG LEU A 280 -6.817 -10.188 -9.559 1.00 0.00 H new ATOM 0 HD11 LEU A 280 -8.845 -9.195 -8.574 1.00 0.00 H new ATOM 0 HD12 LEU A 280 -7.469 -8.068 -8.527 1.00 0.00 H new ATOM 0 HD13 LEU A 280 -8.751 -7.856 -9.742 1.00 0.00 H new ATOM 0 HD21 LEU A 280 -9.041 -10.854 -10.391 1.00 0.00 H new ATOM 0 HD22 LEU A 280 -8.954 -9.579 -11.630 1.00 0.00 H new ATOM 0 HD23 LEU A 280 -7.806 -10.939 -11.669 1.00 0.00 H new ATOM 922 N CYS A 281 -2.947 -7.508 -11.140 1.00 0.00 N ATOM 923 CA CYS A 281 -2.028 -6.779 -12.006 1.00 0.00 C ATOM 924 C CYS A 281 -1.575 -7.650 -13.174 1.00 0.00 C ATOM 925 O CYS A 281 -1.362 -8.852 -13.020 1.00 0.00 O ATOM 926 CB CYS A 281 -0.813 -6.302 -11.210 1.00 0.00 C ATOM 927 SG CYS A 281 0.108 -4.943 -12.000 1.00 0.00 S ATOM 0 H CYS A 281 -2.497 -8.006 -10.372 1.00 0.00 H new ATOM 0 HA CYS A 281 -2.555 -5.912 -12.405 1.00 0.00 H new ATOM 0 HB2 CYS A 281 -1.143 -5.977 -10.223 1.00 0.00 H new ATOM 0 HB3 CYS A 281 -0.138 -7.144 -11.059 1.00 0.00 H new ATOM 0 HG CYS A 281 -0.702 -3.957 -12.249 1.00 0.00 H new ATOM 932 N GLY A 282 -1.429 -7.034 -14.344 1.00 0.00 N ATOM 933 CA GLY A 282 -1.002 -7.767 -15.520 1.00 0.00 C ATOM 934 C GLY A 282 -2.159 -8.428 -16.244 1.00 0.00 C ATOM 935 O GLY A 282 -1.988 -8.974 -17.334 1.00 0.00 O ATOM 0 H GLY A 282 -1.599 -6.040 -14.497 1.00 0.00 H new ATOM 0 HA2 GLY A 282 -0.491 -7.087 -16.202 1.00 0.00 H new ATOM 0 HA3 GLY A 282 -0.279 -8.528 -15.227 1.00 0.00 H new ATOM 939 N ILE A 283 -3.340 -8.379 -15.636 1.00 0.00 N ATOM 940 CA ILE A 283 -4.529 -8.978 -16.229 1.00 0.00 C ATOM 941 C ILE A 283 -5.038 -8.144 -17.400 1.00 0.00 C ATOM 942 O ILE A 283 -5.644 -8.670 -18.333 1.00 0.00 O ATOM 943 CB ILE A 283 -5.658 -9.132 -15.193 1.00 0.00 C ATOM 944 CG1 ILE A 283 -5.162 -9.921 -13.980 1.00 0.00 C ATOM 945 CG2 ILE A 283 -6.863 -9.817 -15.821 1.00 0.00 C ATOM 946 CD1 ILE A 283 -4.133 -10.975 -14.324 1.00 0.00 C ATOM 0 H ILE A 283 -3.499 -7.931 -14.734 1.00 0.00 H new ATOM 0 HA ILE A 283 -4.240 -9.966 -16.588 1.00 0.00 H new ATOM 0 HB ILE A 283 -5.962 -8.140 -14.858 1.00 0.00 H new ATOM 0 HG12 ILE A 283 -4.732 -9.228 -13.257 1.00 0.00 H new ATOM 0 HG13 ILE A 283 -6.013 -10.400 -13.496 1.00 0.00 H new ATOM 0 HG21 ILE A 283 -7.653 -9.919 -15.077 1.00 0.00 H new ATOM 0 HG22 ILE A 283 -7.227 -9.219 -16.657 1.00 0.00 H new ATOM 0 HG23 ILE A 283 -6.574 -10.805 -16.180 1.00 0.00 H new ATOM 0 HD11 ILE A 283 -3.827 -11.495 -13.416 1.00 0.00 H new ATOM 0 HD12 ILE A 283 -4.565 -11.691 -15.023 1.00 0.00 H new ATOM 0 HD13 ILE A 283 -3.265 -10.500 -14.781 1.00 0.00 H new ATOM 958 N ASN A 284 -4.787 -6.840 -17.344 1.00 0.00 N ATOM 959 CA ASN A 284 -5.220 -5.932 -18.400 1.00 0.00 C ATOM 960 C ASN A 284 -4.543 -6.276 -19.724 1.00 0.00 C ATOM 961 O ASN A 284 -4.087 -5.392 -20.447 1.00 0.00 O ATOM 962 CB ASN A 284 -4.908 -4.484 -18.017 1.00 0.00 C ATOM 963 CG ASN A 284 -5.205 -4.196 -16.558 1.00 0.00 C ATOM 964 OD1 ASN A 284 -4.326 -3.776 -15.805 1.00 0.00 O ATOM 965 ND2 ASN A 284 -6.449 -4.421 -16.152 1.00 0.00 N ATOM 0 H ASN A 284 -4.286 -6.389 -16.579 1.00 0.00 H new ATOM 0 HA ASN A 284 -6.297 -6.044 -18.522 1.00 0.00 H new ATOM 0 HB2 ASN A 284 -3.857 -4.276 -18.219 1.00 0.00 H new ATOM 0 HB3 ASN A 284 -5.493 -3.811 -18.644 1.00 0.00 H new ATOM 0 HD21 ASN A 284 -6.708 -4.245 -15.181 1.00 0.00 H new ATOM 0 HD22 ASN A 284 -7.145 -4.769 -16.811 1.00 0.00 H new