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 0:sc= 1.91 USER MOD Set 1.2: A 276 LYS NZ :NH3+ -111:sc= 1.25 (180deg=0) USER MOD Set 2.1: A 245 CYS SG : rot 157:sc= 0.933 USER MOD Set 2.2: A 248 CYS SG : rot -65:sc= 1.46 USER MOD Set 2.3: A 250 THR OG1 : rot 88:sc= 1.08 USER MOD Set 2.4: A 270 HIS : no HD1:sc= -2.05! C(o=0.18!,f=-2.4!) USER MOD Set 2.5: A 273 CYS SG : rot -164:sc= -1.25 USER MOD Set 3.1: A 232 HIS : no HD1:sc= 0.0558 K(o=-6.9,f=-8.7) USER MOD Set 3.2: A 262 CYS SG : rot 163:sc= -2.21! USER MOD Set 3.3: A 265 CYS SG : rot -57:sc= 0.443 USER MOD Set 3.4: A 267 MET CE :methyl 172:sc= -0.358 (180deg=-0.833) USER MOD Set 3.5: A 281 CYS SG : rot 117:sc= -4.87! USER MOD Single : A 230 MET CE :methyl 168:sc= 0 (180deg=-0.225) USER MOD Single : A 235 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0128) USER MOD Single : A 237 TYR OH : rot 180:sc= 0 USER MOD Single : A 238 ASN : amide:sc= -1.4! C(o=-1.4!,f=-3.2!) USER MOD Single : A 239 TYR OH : rot -70:sc= 0.0764 USER MOD Single : A 240 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 241 SER OG : rot 180:sc= 0 USER MOD Single : A 243 THR OG1 : rot 180:sc= 0 USER MOD Single : A 247 HIS : no HD1:sc= -6.16! C(o=-6.2!,f=-7.4!) USER MOD Single : A 258 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 261 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 268 ASN : amide:sc= -4.83! C(o=-4.8!,f=-8.2!) USER MOD Single : A 271 HIS : no HD1:sc=-0.00713 X(o=-0.0071,f=-0.073) USER MOD Single : A 274 GLN : amide:sc= -0.267 K(o=-0.27,f=-1.2!) USER MOD Single : A 279 ASN : amide:sc= -8.31! C(o=-8.3!,f=-7.3!) USER MOD Single : A 284 ASN : amide:sc= -0.032 K(o=-0.032,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 107 N ASP A 229 -4.097 -14.495 -8.346 1.00 0.00 N ATOM 108 CA ASP A 229 -4.124 -13.044 -8.493 1.00 0.00 C ATOM 109 C ASP A 229 -2.810 -12.427 -8.026 1.00 0.00 C ATOM 110 O ASP A 229 -2.152 -12.949 -7.126 1.00 0.00 O ATOM 111 CB ASP A 229 -5.290 -12.451 -7.701 1.00 0.00 C ATOM 112 CG ASP A 229 -6.478 -13.391 -7.629 1.00 0.00 C ATOM 113 OD1 ASP A 229 -7.086 -13.660 -8.686 1.00 0.00 O ATOM 114 OD2 ASP A 229 -6.800 -13.856 -6.515 1.00 0.00 O ATOM 0 HA ASP A 229 -4.258 -12.813 -9.550 1.00 0.00 H new ATOM 0 HB2 ASP A 229 -4.956 -12.214 -6.691 1.00 0.00 H new ATOM 0 HB3 ASP A 229 -5.600 -11.513 -8.163 1.00 0.00 H new ATOM 119 N MET A 230 -2.433 -11.313 -8.644 1.00 0.00 N ATOM 120 CA MET A 230 -1.196 -10.624 -8.291 1.00 0.00 C ATOM 121 C MET A 230 -1.468 -9.164 -7.944 1.00 0.00 C ATOM 122 O MET A 230 -2.323 -8.508 -8.539 1.00 0.00 O ATOM 123 CB MET A 230 -0.194 -10.708 -9.444 1.00 0.00 C ATOM 124 CG MET A 230 0.286 -12.122 -9.729 1.00 0.00 C ATOM 125 SD MET A 230 -1.025 -13.186 -10.361 1.00 0.00 S ATOM 126 CE MET A 230 -1.013 -12.744 -12.097 1.00 0.00 C ATOM 0 H MET A 230 -2.965 -10.868 -9.391 1.00 0.00 H new ATOM 0 HA MET A 230 -0.773 -11.115 -7.415 1.00 0.00 H new ATOM 0 HB2 MET A 230 -0.653 -10.300 -10.344 1.00 0.00 H new ATOM 0 HB3 MET A 230 0.667 -10.080 -9.213 1.00 0.00 H new ATOM 0 HG2 MET A 230 1.100 -12.086 -10.453 1.00 0.00 H new ATOM 0 HG3 MET A 230 0.691 -12.555 -8.815 1.00 0.00 H new ATOM 0 HE1 MET A 230 -1.613 -13.460 -12.659 1.00 0.00 H new ATOM 0 HE2 MET A 230 -1.430 -11.745 -12.221 1.00 0.00 H new ATOM 0 HE3 MET A 230 0.011 -12.758 -12.469 1.00 0.00 H new ATOM 136 N PRO A 231 -0.724 -8.641 -6.958 1.00 0.00 N ATOM 137 CA PRO A 231 -0.867 -7.253 -6.509 1.00 0.00 C ATOM 138 C PRO A 231 -0.367 -6.254 -7.548 1.00 0.00 C ATOM 139 O PRO A 231 0.206 -6.638 -8.568 1.00 0.00 O ATOM 140 CB PRO A 231 0.003 -7.195 -5.251 1.00 0.00 C ATOM 141 CG PRO A 231 1.011 -8.276 -5.437 1.00 0.00 C ATOM 142 CD PRO A 231 0.314 -9.365 -6.204 1.00 0.00 C ATOM 0 HA PRO A 231 -1.910 -6.986 -6.335 1.00 0.00 H new ATOM 0 HB2 PRO A 231 0.482 -6.221 -5.145 1.00 0.00 H new ATOM 0 HB3 PRO A 231 -0.591 -7.358 -4.351 1.00 0.00 H new ATOM 0 HG2 PRO A 231 1.880 -7.909 -5.983 1.00 0.00 H new ATOM 0 HG3 PRO A 231 1.370 -8.644 -4.476 1.00 0.00 H new ATOM 0 HD2 PRO A 231 1.000 -9.891 -6.868 1.00 0.00 H new ATOM 0 HD3 PRO A 231 -0.120 -10.111 -5.538 1.00 0.00 H new ATOM 150 N HIS A 232 -0.588 -4.970 -7.282 1.00 0.00 N ATOM 151 CA HIS A 232 -0.158 -3.916 -8.194 1.00 0.00 C ATOM 152 C HIS A 232 1.195 -3.351 -7.772 1.00 0.00 C ATOM 153 O HIS A 232 1.356 -2.875 -6.648 1.00 0.00 O ATOM 154 CB HIS A 232 -1.200 -2.797 -8.240 1.00 0.00 C ATOM 155 CG HIS A 232 -2.436 -3.161 -9.003 1.00 0.00 C ATOM 156 ND1 HIS A 232 -2.454 -3.329 -10.371 1.00 0.00 N ATOM 157 CD2 HIS A 232 -3.701 -3.391 -8.581 1.00 0.00 C ATOM 158 CE1 HIS A 232 -3.677 -3.644 -10.758 1.00 0.00 C ATOM 159 NE2 HIS A 232 -4.453 -3.689 -9.690 1.00 0.00 N ATOM 0 H HIS A 232 -1.062 -4.635 -6.443 1.00 0.00 H new ATOM 0 HA HIS A 232 -0.056 -4.349 -9.189 1.00 0.00 H new ATOM 0 HB2 HIS A 232 -1.478 -2.528 -7.221 1.00 0.00 H new ATOM 0 HB3 HIS A 232 -0.751 -1.912 -8.692 1.00 0.00 H new ATOM 0 HD2 HIS A 232 -4.053 -3.348 -7.561 1.00 0.00 H new ATOM 0 HE1 HIS A 232 -3.989 -3.833 -11.775 1.00 0.00 H new ATOM 0 HE2 HIS A 232 -5.449 -3.909 -9.689 1.00 0.00 H new ATOM 167 N ARG A 233 2.163 -3.406 -8.681 1.00 0.00 N ATOM 168 CA ARG A 233 3.502 -2.902 -8.402 1.00 0.00 C ATOM 169 C ARG A 233 3.506 -1.377 -8.335 1.00 0.00 C ATOM 170 O ARG A 233 4.083 -0.709 -9.193 1.00 0.00 O ATOM 171 CB ARG A 233 4.483 -3.378 -9.474 1.00 0.00 C ATOM 172 CG ARG A 233 4.665 -4.887 -9.506 1.00 0.00 C ATOM 173 CD ARG A 233 5.971 -5.276 -10.181 1.00 0.00 C ATOM 174 NE ARG A 233 6.367 -6.645 -9.860 1.00 0.00 N ATOM 175 CZ ARG A 233 7.542 -7.167 -10.191 1.00 0.00 C ATOM 176 NH1 ARG A 233 8.433 -6.439 -10.851 1.00 0.00 N ATOM 177 NH2 ARG A 233 7.829 -8.421 -9.863 1.00 0.00 N ATOM 0 H ARG A 233 2.045 -3.794 -9.617 1.00 0.00 H new ATOM 0 HA ARG A 233 3.815 -3.292 -7.434 1.00 0.00 H new ATOM 0 HB2 ARG A 233 4.133 -3.042 -10.450 1.00 0.00 H new ATOM 0 HB3 ARG A 233 5.451 -2.907 -9.303 1.00 0.00 H new ATOM 0 HG2 ARG A 233 4.649 -5.278 -8.489 1.00 0.00 H new ATOM 0 HG3 ARG A 233 3.830 -5.344 -10.036 1.00 0.00 H new ATOM 0 HD2 ARG A 233 5.865 -5.173 -11.261 1.00 0.00 H new ATOM 0 HD3 ARG A 233 6.758 -4.589 -9.871 1.00 0.00 H new ATOM 0 HE ARG A 233 5.704 -7.232 -9.354 1.00 0.00 H new ATOM 0 HH11 ARG A 233 8.216 -5.475 -11.106 1.00 0.00 H new ATOM 0 HH12 ARG A 233 9.335 -6.843 -11.104 1.00 0.00 H new ATOM 0 HH21 ARG A 233 7.146 -8.985 -9.356 1.00 0.00 H new ATOM 0 HH22 ARG A 233 8.732 -8.821 -10.118 1.00 0.00 H new ATOM 191 N PHE A 234 2.857 -0.833 -7.311 1.00 0.00 N ATOM 192 CA PHE A 234 2.784 0.612 -7.133 1.00 0.00 C ATOM 193 C PHE A 234 4.066 1.148 -6.501 1.00 0.00 C ATOM 194 O PHE A 234 4.478 0.702 -5.430 1.00 0.00 O ATOM 195 CB PHE A 234 1.581 0.980 -6.262 1.00 0.00 C ATOM 196 CG PHE A 234 0.262 0.814 -6.961 1.00 0.00 C ATOM 197 CD1 PHE A 234 0.010 1.468 -8.156 1.00 0.00 C ATOM 198 CD2 PHE A 234 -0.725 0.004 -6.423 1.00 0.00 C ATOM 199 CE1 PHE A 234 -1.204 1.318 -8.801 1.00 0.00 C ATOM 200 CE2 PHE A 234 -1.940 -0.150 -7.064 1.00 0.00 C ATOM 201 CZ PHE A 234 -2.179 0.507 -8.255 1.00 0.00 C ATOM 0 H PHE A 234 2.374 -1.371 -6.592 1.00 0.00 H new ATOM 0 HA PHE A 234 2.666 1.068 -8.116 1.00 0.00 H new ATOM 0 HB2 PHE A 234 1.589 0.360 -5.365 1.00 0.00 H new ATOM 0 HB3 PHE A 234 1.682 2.015 -5.935 1.00 0.00 H new ATOM 0 HD1 PHE A 234 0.770 2.102 -8.589 1.00 0.00 H new ATOM 0 HD2 PHE A 234 -0.543 -0.513 -5.492 1.00 0.00 H new ATOM 0 HE1 PHE A 234 -1.389 1.835 -9.731 1.00 0.00 H new ATOM 0 HE2 PHE A 234 -2.702 -0.783 -6.634 1.00 0.00 H new ATOM 0 HZ PHE A 234 -3.127 0.387 -8.758 1.00 0.00 H new ATOM 211 N LYS A 235 4.693 2.107 -7.173 1.00 0.00 N ATOM 212 CA LYS A 235 5.928 2.706 -6.680 1.00 0.00 C ATOM 213 C LYS A 235 5.810 4.226 -6.621 1.00 0.00 C ATOM 214 O LYS A 235 5.556 4.878 -7.634 1.00 0.00 O ATOM 215 CB LYS A 235 7.104 2.309 -7.575 1.00 0.00 C ATOM 216 CG LYS A 235 7.410 0.821 -7.553 1.00 0.00 C ATOM 217 CD LYS A 235 8.365 0.465 -6.426 1.00 0.00 C ATOM 218 CE LYS A 235 8.629 -1.032 -6.373 1.00 0.00 C ATOM 219 NZ LYS A 235 7.462 -1.782 -5.830 1.00 0.00 N ATOM 0 H LYS A 235 4.366 2.487 -8.061 1.00 0.00 H new ATOM 0 HA LYS A 235 6.106 2.334 -5.671 1.00 0.00 H new ATOM 0 HB2 LYS A 235 6.888 2.612 -8.600 1.00 0.00 H new ATOM 0 HB3 LYS A 235 7.991 2.859 -7.260 1.00 0.00 H new ATOM 0 HG2 LYS A 235 6.483 0.260 -7.437 1.00 0.00 H new ATOM 0 HG3 LYS A 235 7.845 0.524 -8.507 1.00 0.00 H new ATOM 0 HD2 LYS A 235 9.306 0.997 -6.563 1.00 0.00 H new ATOM 0 HD3 LYS A 235 7.947 0.796 -5.475 1.00 0.00 H new ATOM 0 HE2 LYS A 235 8.861 -1.396 -7.374 1.00 0.00 H new ATOM 0 HE3 LYS A 235 9.505 -1.225 -5.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 235 7.700 -2.792 -5.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 235 7.225 -1.418 -4.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 235 6.646 -1.660 -6.463 1.00 0.00 H new ATOM 233 N VAL A 236 5.997 4.784 -5.430 1.00 0.00 N ATOM 234 CA VAL A 236 5.915 6.227 -5.240 1.00 0.00 C ATOM 235 C VAL A 236 6.790 6.965 -6.247 1.00 0.00 C ATOM 236 O VAL A 236 8.016 6.861 -6.212 1.00 0.00 O ATOM 237 CB VAL A 236 6.338 6.631 -3.815 1.00 0.00 C ATOM 238 CG1 VAL A 236 6.914 8.039 -3.808 1.00 0.00 C ATOM 239 CG2 VAL A 236 5.160 6.523 -2.859 1.00 0.00 C ATOM 0 H VAL A 236 6.207 4.258 -4.581 1.00 0.00 H new ATOM 0 HA VAL A 236 4.873 6.507 -5.395 1.00 0.00 H new ATOM 0 HB VAL A 236 7.115 5.945 -3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 236 7.207 8.307 -2.793 1.00 0.00 H new ATOM 0 HG12 VAL A 236 7.786 8.078 -4.460 1.00 0.00 H new ATOM 0 HG13 VAL A 236 6.162 8.742 -4.166 1.00 0.00 H new ATOM 0 HG21 VAL A 236 5.477 6.812 -1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 236 4.360 7.184 -3.191 1.00 0.00 H new ATOM 0 HG23 VAL A 236 4.798 5.495 -2.843 1.00 0.00 H new ATOM 249 N TYR A 237 6.152 7.710 -7.142 1.00 0.00 N ATOM 250 CA TYR A 237 6.872 8.464 -8.161 1.00 0.00 C ATOM 251 C TYR A 237 6.569 9.955 -8.051 1.00 0.00 C ATOM 252 O TYR A 237 5.557 10.353 -7.475 1.00 0.00 O ATOM 253 CB TYR A 237 6.502 7.959 -9.557 1.00 0.00 C ATOM 254 CG TYR A 237 7.470 8.392 -10.634 1.00 0.00 C ATOM 255 CD1 TYR A 237 7.452 9.689 -11.131 1.00 0.00 C ATOM 256 CD2 TYR A 237 8.403 7.504 -11.155 1.00 0.00 C ATOM 257 CE1 TYR A 237 8.335 10.089 -12.116 1.00 0.00 C ATOM 258 CE2 TYR A 237 9.290 7.895 -12.139 1.00 0.00 C ATOM 259 CZ TYR A 237 9.252 9.189 -12.617 1.00 0.00 C ATOM 260 OH TYR A 237 10.133 9.583 -13.597 1.00 0.00 O ATOM 0 H TYR A 237 5.138 7.808 -7.183 1.00 0.00 H new ATOM 0 HA TYR A 237 7.940 8.315 -7.999 1.00 0.00 H new ATOM 0 HB2 TYR A 237 6.454 6.870 -9.539 1.00 0.00 H new ATOM 0 HB3 TYR A 237 5.505 8.318 -9.811 1.00 0.00 H new ATOM 0 HD1 TYR A 237 6.736 10.397 -10.741 1.00 0.00 H new ATOM 0 HD2 TYR A 237 8.435 6.490 -10.784 1.00 0.00 H new ATOM 0 HE1 TYR A 237 8.307 11.101 -12.491 1.00 0.00 H new ATOM 0 HE2 TYR A 237 10.009 7.192 -12.532 1.00 0.00 H new ATOM 0 HH TYR A 237 10.712 8.830 -13.838 1.00 0.00 H new ATOM 270 N ASN A 238 7.453 10.775 -8.609 1.00 0.00 N ATOM 271 CA ASN A 238 7.282 12.223 -8.575 1.00 0.00 C ATOM 272 C ASN A 238 7.161 12.790 -9.986 1.00 0.00 C ATOM 273 O ASN A 238 8.165 13.026 -10.660 1.00 0.00 O ATOM 274 CB ASN A 238 8.457 12.879 -7.848 1.00 0.00 C ATOM 275 CG ASN A 238 8.621 14.341 -8.216 1.00 0.00 C ATOM 276 OD1 ASN A 238 7.665 15.000 -8.627 1.00 0.00 O ATOM 277 ND2 ASN A 238 9.836 14.856 -8.069 1.00 0.00 N ATOM 0 H ASN A 238 8.296 10.461 -9.091 1.00 0.00 H new ATOM 0 HA ASN A 238 6.361 12.443 -8.035 1.00 0.00 H new ATOM 0 HB2 ASN A 238 8.309 12.793 -6.772 1.00 0.00 H new ATOM 0 HB3 ASN A 238 9.375 12.342 -8.088 1.00 0.00 H new ATOM 0 HD21 ASN A 238 10.006 15.835 -8.300 1.00 0.00 H new ATOM 0 HD22 ASN A 238 10.599 14.273 -7.725 1.00 0.00 H new ATOM 284 N TYR A 239 5.927 13.008 -10.427 1.00 0.00 N ATOM 285 CA TYR A 239 5.675 13.546 -11.758 1.00 0.00 C ATOM 286 C TYR A 239 4.997 14.911 -11.675 1.00 0.00 C ATOM 287 O TYR A 239 4.524 15.319 -10.614 1.00 0.00 O ATOM 288 CB TYR A 239 4.805 12.581 -12.565 1.00 0.00 C ATOM 289 CG TYR A 239 3.787 11.839 -11.727 1.00 0.00 C ATOM 290 CD1 TYR A 239 3.031 12.503 -10.769 1.00 0.00 C ATOM 291 CD2 TYR A 239 3.583 10.475 -11.894 1.00 0.00 C ATOM 292 CE1 TYR A 239 2.100 11.829 -10.001 1.00 0.00 C ATOM 293 CE2 TYR A 239 2.653 9.794 -11.132 1.00 0.00 C ATOM 294 CZ TYR A 239 1.915 10.475 -10.187 1.00 0.00 C ATOM 295 OH TYR A 239 0.989 9.800 -9.424 1.00 0.00 O ATOM 0 H TYR A 239 5.086 12.820 -9.882 1.00 0.00 H new ATOM 0 HA TYR A 239 6.635 13.667 -12.261 1.00 0.00 H new ATOM 0 HB2 TYR A 239 4.285 13.138 -13.344 1.00 0.00 H new ATOM 0 HB3 TYR A 239 5.448 11.857 -13.066 1.00 0.00 H new ATOM 0 HD1 TYR A 239 3.173 13.563 -10.622 1.00 0.00 H new ATOM 0 HD2 TYR A 239 4.161 9.938 -12.632 1.00 0.00 H new ATOM 0 HE1 TYR A 239 1.521 12.360 -9.260 1.00 0.00 H new ATOM 0 HE2 TYR A 239 2.505 8.734 -11.276 1.00 0.00 H new ATOM 0 HH TYR A 239 1.309 9.739 -8.500 1.00 0.00 H new ATOM 305 N LYS A 240 4.954 15.612 -12.802 1.00 0.00 N ATOM 306 CA LYS A 240 4.334 16.930 -12.861 1.00 0.00 C ATOM 307 C LYS A 240 3.018 16.879 -13.631 1.00 0.00 C ATOM 308 O LYS A 240 1.983 17.330 -13.141 1.00 0.00 O ATOM 309 CB LYS A 240 5.283 17.935 -13.518 1.00 0.00 C ATOM 310 CG LYS A 240 4.607 19.232 -13.928 1.00 0.00 C ATOM 311 CD LYS A 240 3.875 19.085 -15.252 1.00 0.00 C ATOM 312 CE LYS A 240 3.818 20.404 -16.006 1.00 0.00 C ATOM 313 NZ LYS A 240 2.672 21.246 -15.564 1.00 0.00 N ATOM 0 H LYS A 240 5.342 15.289 -13.688 1.00 0.00 H new ATOM 0 HA LYS A 240 4.125 17.251 -11.840 1.00 0.00 H new ATOM 0 HB2 LYS A 240 6.095 18.161 -12.827 1.00 0.00 H new ATOM 0 HB3 LYS A 240 5.733 17.475 -14.398 1.00 0.00 H new ATOM 0 HG2 LYS A 240 3.903 19.537 -13.154 1.00 0.00 H new ATOM 0 HG3 LYS A 240 5.353 20.022 -14.009 1.00 0.00 H new ATOM 0 HD2 LYS A 240 4.376 18.336 -15.865 1.00 0.00 H new ATOM 0 HD3 LYS A 240 2.863 18.724 -15.071 1.00 0.00 H new ATOM 0 HE2 LYS A 240 4.749 20.950 -15.854 1.00 0.00 H new ATOM 0 HE3 LYS A 240 3.734 20.208 -17.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 2.668 22.136 -16.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 1.781 20.736 -15.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 2.765 21.455 -14.549 1.00 0.00 H new ATOM 327 N SER A 241 3.066 16.325 -14.838 1.00 0.00 N ATOM 328 CA SER A 241 1.878 16.217 -15.677 1.00 0.00 C ATOM 329 C SER A 241 0.652 15.865 -14.839 1.00 0.00 C ATOM 330 O SER A 241 0.749 15.249 -13.778 1.00 0.00 O ATOM 331 CB SER A 241 2.088 15.159 -16.762 1.00 0.00 C ATOM 332 OG SER A 241 2.941 15.641 -17.786 1.00 0.00 O ATOM 0 H SER A 241 3.914 15.944 -15.257 1.00 0.00 H new ATOM 0 HA SER A 241 1.709 17.184 -16.150 1.00 0.00 H new ATOM 0 HB2 SER A 241 2.518 14.260 -16.320 1.00 0.00 H new ATOM 0 HB3 SER A 241 1.126 14.876 -17.189 1.00 0.00 H new ATOM 0 HG SER A 241 3.061 14.946 -18.466 1.00 0.00 H new ATOM 338 N PRO A 242 -0.531 16.266 -15.327 1.00 0.00 N ATOM 339 CA PRO A 242 -1.800 16.005 -14.641 1.00 0.00 C ATOM 340 C PRO A 242 -2.180 14.529 -14.666 1.00 0.00 C ATOM 341 O PRO A 242 -2.229 13.907 -15.728 1.00 0.00 O ATOM 342 CB PRO A 242 -2.812 16.831 -15.439 1.00 0.00 C ATOM 343 CG PRO A 242 -2.210 16.958 -16.796 1.00 0.00 C ATOM 344 CD PRO A 242 -0.722 17.005 -16.587 1.00 0.00 C ATOM 0 HA PRO A 242 -1.753 16.268 -13.584 1.00 0.00 H new ATOM 0 HB2 PRO A 242 -3.782 16.336 -15.481 1.00 0.00 H new ATOM 0 HB3 PRO A 242 -2.972 17.808 -14.984 1.00 0.00 H new ATOM 0 HG2 PRO A 242 -2.489 16.114 -17.427 1.00 0.00 H new ATOM 0 HG3 PRO A 242 -2.562 17.860 -17.296 1.00 0.00 H new ATOM 0 HD2 PRO A 242 -0.185 16.537 -17.412 1.00 0.00 H new ATOM 0 HD3 PRO A 242 -0.359 18.030 -16.511 1.00 0.00 H new ATOM 352 N THR A 243 -2.448 13.971 -13.489 1.00 0.00 N ATOM 353 CA THR A 243 -2.822 12.567 -13.376 1.00 0.00 C ATOM 354 C THR A 243 -4.077 12.399 -12.527 1.00 0.00 C ATOM 355 O THR A 243 -4.043 12.577 -11.309 1.00 0.00 O ATOM 356 CB THR A 243 -1.684 11.730 -12.761 1.00 0.00 C ATOM 357 OG1 THR A 243 -0.420 12.177 -13.264 1.00 0.00 O ATOM 358 CG2 THR A 243 -1.868 10.253 -13.076 1.00 0.00 C ATOM 0 H THR A 243 -2.413 14.471 -12.600 1.00 0.00 H new ATOM 0 HA THR A 243 -3.020 12.210 -14.387 1.00 0.00 H new ATOM 0 HB THR A 243 -1.710 11.860 -11.679 1.00 0.00 H new ATOM 0 HG1 THR A 243 0.298 11.641 -12.867 1.00 0.00 H new ATOM 0 HG21 THR A 243 -1.053 9.682 -12.632 1.00 0.00 H new ATOM 0 HG22 THR A 243 -2.818 9.909 -12.666 1.00 0.00 H new ATOM 0 HG23 THR A 243 -1.866 10.108 -14.156 1.00 0.00 H new ATOM 366 N PHE A 244 -5.184 12.055 -13.177 1.00 0.00 N ATOM 367 CA PHE A 244 -6.451 11.864 -12.482 1.00 0.00 C ATOM 368 C PHE A 244 -6.608 10.416 -12.026 1.00 0.00 C ATOM 369 O PHE A 244 -6.224 9.485 -12.735 1.00 0.00 O ATOM 370 CB PHE A 244 -7.619 12.255 -13.389 1.00 0.00 C ATOM 371 CG PHE A 244 -7.957 13.717 -13.335 1.00 0.00 C ATOM 372 CD1 PHE A 244 -7.050 14.667 -13.778 1.00 0.00 C ATOM 373 CD2 PHE A 244 -9.180 14.142 -12.843 1.00 0.00 C ATOM 374 CE1 PHE A 244 -7.358 16.014 -13.730 1.00 0.00 C ATOM 375 CE2 PHE A 244 -9.493 15.488 -12.792 1.00 0.00 C ATOM 376 CZ PHE A 244 -8.581 16.424 -13.237 1.00 0.00 C ATOM 0 H PHE A 244 -5.229 11.903 -14.185 1.00 0.00 H new ATOM 0 HA PHE A 244 -6.454 12.506 -11.601 1.00 0.00 H new ATOM 0 HB2 PHE A 244 -7.377 11.984 -14.417 1.00 0.00 H new ATOM 0 HB3 PHE A 244 -8.498 11.676 -13.105 1.00 0.00 H new ATOM 0 HD1 PHE A 244 -6.092 14.352 -14.165 1.00 0.00 H new ATOM 0 HD2 PHE A 244 -9.898 13.414 -12.495 1.00 0.00 H new ATOM 0 HE1 PHE A 244 -6.643 16.745 -14.078 1.00 0.00 H new ATOM 0 HE2 PHE A 244 -10.449 15.807 -12.405 1.00 0.00 H new ATOM 0 HZ PHE A 244 -8.824 17.476 -13.200 1.00 0.00 H new ATOM 386 N CYS A 245 -7.175 10.234 -10.838 1.00 0.00 N ATOM 387 CA CYS A 245 -7.383 8.901 -10.286 1.00 0.00 C ATOM 388 C CYS A 245 -8.541 8.196 -10.986 1.00 0.00 C ATOM 389 O CYS A 245 -9.696 8.601 -10.856 1.00 0.00 O ATOM 390 CB CYS A 245 -7.656 8.985 -8.783 1.00 0.00 C ATOM 391 SG CYS A 245 -7.192 7.487 -7.857 1.00 0.00 S ATOM 0 H CYS A 245 -7.499 10.993 -10.239 1.00 0.00 H new ATOM 0 HA CYS A 245 -6.475 8.321 -10.452 1.00 0.00 H new ATOM 0 HB2 CYS A 245 -7.112 9.836 -8.373 1.00 0.00 H new ATOM 0 HB3 CYS A 245 -8.717 9.181 -8.628 1.00 0.00 H new ATOM 0 HG CYS A 245 -6.998 7.792 -6.608 1.00 0.00 H new ATOM 396 N GLU A 246 -8.223 7.140 -11.728 1.00 0.00 N ATOM 397 CA GLU A 246 -9.238 6.380 -12.449 1.00 0.00 C ATOM 398 C GLU A 246 -10.010 5.468 -11.501 1.00 0.00 C ATOM 399 O GLU A 246 -10.871 4.697 -11.927 1.00 0.00 O ATOM 400 CB GLU A 246 -8.591 5.550 -13.560 1.00 0.00 C ATOM 401 CG GLU A 246 -8.399 6.315 -14.859 1.00 0.00 C ATOM 402 CD GLU A 246 -9.681 6.958 -15.352 1.00 0.00 C ATOM 403 OE1 GLU A 246 -10.764 6.386 -15.106 1.00 0.00 O ATOM 404 OE2 GLU A 246 -9.602 8.032 -15.984 1.00 0.00 O ATOM 0 H GLU A 246 -7.272 6.791 -11.846 1.00 0.00 H new ATOM 0 HA GLU A 246 -9.938 7.087 -12.894 1.00 0.00 H new ATOM 0 HB2 GLU A 246 -7.622 5.189 -13.215 1.00 0.00 H new ATOM 0 HB3 GLU A 246 -9.208 4.673 -13.753 1.00 0.00 H new ATOM 0 HG2 GLU A 246 -7.643 7.086 -14.714 1.00 0.00 H new ATOM 0 HG3 GLU A 246 -8.020 5.637 -15.623 1.00 0.00 H new ATOM 411 N HIS A 247 -9.695 5.561 -10.213 1.00 0.00 N ATOM 412 CA HIS A 247 -10.359 4.744 -9.203 1.00 0.00 C ATOM 413 C HIS A 247 -11.481 5.524 -8.524 1.00 0.00 C ATOM 414 O HIS A 247 -12.660 5.209 -8.690 1.00 0.00 O ATOM 415 CB HIS A 247 -9.350 4.267 -8.158 1.00 0.00 C ATOM 416 CG HIS A 247 -9.933 3.329 -7.146 1.00 0.00 C ATOM 417 ND1 HIS A 247 -9.739 1.965 -7.184 1.00 0.00 N ATOM 418 CD2 HIS A 247 -10.708 3.568 -6.062 1.00 0.00 C ATOM 419 CE1 HIS A 247 -10.371 1.404 -6.168 1.00 0.00 C ATOM 420 NE2 HIS A 247 -10.967 2.355 -5.472 1.00 0.00 N ATOM 0 H HIS A 247 -8.985 6.193 -9.844 1.00 0.00 H new ATOM 0 HA HIS A 247 -10.793 3.877 -9.701 1.00 0.00 H new ATOM 0 HB2 HIS A 247 -8.521 3.772 -8.665 1.00 0.00 H new ATOM 0 HB3 HIS A 247 -8.937 5.134 -7.642 1.00 0.00 H new ATOM 0 HD2 HIS A 247 -11.057 4.532 -5.724 1.00 0.00 H new ATOM 0 HE1 HIS A 247 -10.396 0.348 -5.945 1.00 0.00 H new ATOM 0 HE2 HIS A 247 -11.529 2.212 -4.633 1.00 0.00 H new ATOM 428 N CYS A 248 -11.106 6.544 -7.759 1.00 0.00 N ATOM 429 CA CYS A 248 -12.080 7.369 -7.053 1.00 0.00 C ATOM 430 C CYS A 248 -12.656 8.439 -7.976 1.00 0.00 C ATOM 431 O CYS A 248 -13.709 9.012 -7.699 1.00 0.00 O ATOM 432 CB CYS A 248 -11.433 8.026 -5.833 1.00 0.00 C ATOM 433 SG CYS A 248 -10.022 9.107 -6.231 1.00 0.00 S ATOM 0 H CYS A 248 -10.135 6.819 -7.612 1.00 0.00 H new ATOM 0 HA CYS A 248 -12.894 6.724 -6.721 1.00 0.00 H new ATOM 0 HB2 CYS A 248 -12.187 8.610 -5.306 1.00 0.00 H new ATOM 0 HB3 CYS A 248 -11.098 7.246 -5.149 1.00 0.00 H new ATOM 0 HG CYS A 248 -9.054 8.393 -6.725 1.00 0.00 H new ATOM 438 N GLY A 249 -11.956 8.704 -9.076 1.00 0.00 N ATOM 439 CA GLY A 249 -12.413 9.704 -10.022 1.00 0.00 C ATOM 440 C GLY A 249 -11.844 11.079 -9.733 1.00 0.00 C ATOM 441 O GLY A 249 -11.940 11.987 -10.560 1.00 0.00 O ATOM 0 H GLY A 249 -11.081 8.244 -9.328 1.00 0.00 H new ATOM 0 HA2 GLY A 249 -12.130 9.402 -11.030 1.00 0.00 H new ATOM 0 HA3 GLY A 249 -13.502 9.752 -9.997 1.00 0.00 H new ATOM 445 N THR A 250 -11.250 11.236 -8.554 1.00 0.00 N ATOM 446 CA THR A 250 -10.666 12.511 -8.156 1.00 0.00 C ATOM 447 C THR A 250 -9.241 12.649 -8.677 1.00 0.00 C ATOM 448 O THR A 250 -8.591 11.657 -9.009 1.00 0.00 O ATOM 449 CB THR A 250 -10.658 12.671 -6.624 1.00 0.00 C ATOM 450 OG1 THR A 250 -11.380 11.594 -6.015 1.00 0.00 O ATOM 451 CG2 THR A 250 -11.278 13.999 -6.215 1.00 0.00 C ATOM 0 H THR A 250 -11.161 10.496 -7.858 1.00 0.00 H new ATOM 0 HA THR A 250 -11.287 13.293 -8.593 1.00 0.00 H new ATOM 0 HB THR A 250 -9.622 12.652 -6.284 1.00 0.00 H new ATOM 0 HG1 THR A 250 -10.773 10.841 -5.858 1.00 0.00 H new ATOM 0 HG21 THR A 250 -11.261 14.089 -5.129 1.00 0.00 H new ATOM 0 HG22 THR A 250 -10.709 14.817 -6.656 1.00 0.00 H new ATOM 0 HG23 THR A 250 -12.309 14.043 -6.567 1.00 0.00 H new ATOM 459 N LEU A 251 -8.758 13.885 -8.746 1.00 0.00 N ATOM 460 CA LEU A 251 -7.407 14.153 -9.226 1.00 0.00 C ATOM 461 C LEU A 251 -6.384 13.961 -8.112 1.00 0.00 C ATOM 462 O LEU A 251 -6.583 14.420 -6.986 1.00 0.00 O ATOM 463 CB LEU A 251 -7.315 15.577 -9.779 1.00 0.00 C ATOM 464 CG LEU A 251 -5.952 16.258 -9.653 1.00 0.00 C ATOM 465 CD1 LEU A 251 -4.844 15.325 -10.114 1.00 0.00 C ATOM 466 CD2 LEU A 251 -5.928 17.553 -10.452 1.00 0.00 C ATOM 0 H LEU A 251 -9.282 14.717 -8.476 1.00 0.00 H new ATOM 0 HA LEU A 251 -7.184 13.444 -10.023 1.00 0.00 H new ATOM 0 HB2 LEU A 251 -7.592 15.555 -10.833 1.00 0.00 H new ATOM 0 HB3 LEU A 251 -8.055 16.193 -9.268 1.00 0.00 H new ATOM 0 HG LEU A 251 -5.783 16.498 -8.603 1.00 0.00 H new ATOM 0 HD11 LEU A 251 -3.882 15.827 -10.017 1.00 0.00 H new ATOM 0 HD12 LEU A 251 -4.847 14.425 -9.499 1.00 0.00 H new ATOM 0 HD13 LEU A 251 -5.008 15.053 -11.157 1.00 0.00 H new ATOM 0 HD21 LEU A 251 -4.951 18.025 -10.351 1.00 0.00 H new ATOM 0 HD22 LEU A 251 -6.119 17.336 -11.503 1.00 0.00 H new ATOM 0 HD23 LEU A 251 -6.697 18.227 -10.075 1.00 0.00 H new ATOM 478 N LEU A 252 -5.289 13.282 -8.432 1.00 0.00 N ATOM 479 CA LEU A 252 -4.232 13.030 -7.458 1.00 0.00 C ATOM 480 C LEU A 252 -3.890 14.301 -6.686 1.00 0.00 C ATOM 481 O LEU A 252 -4.370 15.386 -7.014 1.00 0.00 O ATOM 482 CB LEU A 252 -2.983 12.493 -8.158 1.00 0.00 C ATOM 483 CG LEU A 252 -3.031 11.025 -8.584 1.00 0.00 C ATOM 484 CD1 LEU A 252 -1.720 10.615 -9.236 1.00 0.00 C ATOM 485 CD2 LEU A 252 -3.336 10.133 -7.389 1.00 0.00 C ATOM 0 H LEU A 252 -5.109 12.896 -9.359 1.00 0.00 H new ATOM 0 HA LEU A 252 -4.593 12.283 -6.751 1.00 0.00 H new ATOM 0 HB2 LEU A 252 -2.797 13.101 -9.043 1.00 0.00 H new ATOM 0 HB3 LEU A 252 -2.131 12.630 -7.492 1.00 0.00 H new ATOM 0 HG LEU A 252 -3.830 10.905 -9.316 1.00 0.00 H new ATOM 0 HD11 LEU A 252 -1.773 9.567 -9.532 1.00 0.00 H new ATOM 0 HD12 LEU A 252 -1.543 11.233 -10.116 1.00 0.00 H new ATOM 0 HD13 LEU A 252 -0.903 10.751 -8.527 1.00 0.00 H new ATOM 0 HD21 LEU A 252 -3.366 9.092 -7.710 1.00 0.00 H new ATOM 0 HD22 LEU A 252 -2.559 10.257 -6.635 1.00 0.00 H new ATOM 0 HD23 LEU A 252 -4.301 10.410 -6.965 1.00 0.00 H new ATOM 497 N TRP A 253 -3.056 14.158 -5.662 1.00 0.00 N ATOM 498 CA TRP A 253 -2.648 15.294 -4.845 1.00 0.00 C ATOM 499 C TRP A 253 -1.575 14.886 -3.841 1.00 0.00 C ATOM 500 O TRP A 253 -1.699 13.865 -3.167 1.00 0.00 O ATOM 501 CB TRP A 253 -3.854 15.880 -4.110 1.00 0.00 C ATOM 502 CG TRP A 253 -4.370 14.996 -3.016 1.00 0.00 C ATOM 503 CD1 TRP A 253 -5.464 14.179 -3.069 1.00 0.00 C ATOM 504 CD2 TRP A 253 -3.815 14.841 -1.705 1.00 0.00 C ATOM 505 NE1 TRP A 253 -5.621 13.526 -1.870 1.00 0.00 N ATOM 506 CE2 TRP A 253 -4.623 13.914 -1.017 1.00 0.00 C ATOM 507 CE3 TRP A 253 -2.714 15.394 -1.046 1.00 0.00 C ATOM 508 CZ2 TRP A 253 -4.362 13.531 0.296 1.00 0.00 C ATOM 509 CZ3 TRP A 253 -2.457 15.013 0.257 1.00 0.00 C ATOM 510 CH2 TRP A 253 -3.277 14.088 0.917 1.00 0.00 C ATOM 0 H TRP A 253 -2.649 13.267 -5.378 1.00 0.00 H new ATOM 0 HA TRP A 253 -2.231 16.053 -5.507 1.00 0.00 H new ATOM 0 HB2 TRP A 253 -3.578 16.846 -3.687 1.00 0.00 H new ATOM 0 HB3 TRP A 253 -4.654 16.063 -4.827 1.00 0.00 H new ATOM 0 HD1 TRP A 253 -6.110 14.063 -3.927 1.00 0.00 H new ATOM 0 HE1 TRP A 253 -6.362 12.860 -1.651 1.00 0.00 H new ATOM 0 HE3 TRP A 253 -2.075 16.107 -1.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 253 -4.994 12.819 0.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 253 -1.609 15.435 0.776 1.00 0.00 H new ATOM 0 HH2 TRP A 253 -3.048 13.809 1.935 1.00 0.00 H new ATOM 521 N GLY A 254 -0.521 15.691 -3.748 1.00 0.00 N ATOM 522 CA GLY A 254 0.558 15.395 -2.824 1.00 0.00 C ATOM 523 C GLY A 254 1.760 16.296 -3.029 1.00 0.00 C ATOM 524 O GLY A 254 1.700 17.259 -3.794 1.00 0.00 O ATOM 0 H GLY A 254 -0.395 16.542 -4.296 1.00 0.00 H new ATOM 0 HA2 GLY A 254 0.197 15.503 -1.801 1.00 0.00 H new ATOM 0 HA3 GLY A 254 0.862 14.355 -2.946 1.00 0.00 H new ATOM 528 N LEU A 255 2.855 15.984 -2.343 1.00 0.00 N ATOM 529 CA LEU A 255 4.077 16.774 -2.452 1.00 0.00 C ATOM 530 C LEU A 255 4.978 16.232 -3.557 1.00 0.00 C ATOM 531 O LEU A 255 5.082 16.823 -4.632 1.00 0.00 O ATOM 532 CB LEU A 255 4.828 16.773 -1.120 1.00 0.00 C ATOM 533 CG LEU A 255 4.264 17.687 -0.031 1.00 0.00 C ATOM 534 CD1 LEU A 255 3.190 16.966 0.768 1.00 0.00 C ATOM 535 CD2 LEU A 255 5.377 18.175 0.885 1.00 0.00 C ATOM 0 H LEU A 255 2.921 15.190 -1.706 1.00 0.00 H new ATOM 0 HA LEU A 255 3.798 17.797 -2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 255 4.846 15.753 -0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 255 5.862 17.061 -1.309 1.00 0.00 H new ATOM 0 HG LEU A 255 3.810 18.554 -0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 255 2.801 17.632 1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 255 2.380 16.668 0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 255 3.619 16.080 1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 255 4.957 18.824 1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 255 5.861 17.320 1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 255 6.111 18.731 0.302 1.00 0.00 H new ATOM 547 N ALA A 256 5.626 15.104 -3.286 1.00 0.00 N ATOM 548 CA ALA A 256 6.515 14.481 -4.258 1.00 0.00 C ATOM 549 C ALA A 256 6.060 13.063 -4.589 1.00 0.00 C ATOM 550 O ALA A 256 6.260 12.581 -5.703 1.00 0.00 O ATOM 551 CB ALA A 256 7.944 14.470 -3.737 1.00 0.00 C ATOM 0 H ALA A 256 5.552 14.603 -2.401 1.00 0.00 H new ATOM 0 HA ALA A 256 6.479 15.070 -5.175 1.00 0.00 H new ATOM 0 HB1 ALA A 256 8.596 14.002 -4.474 1.00 0.00 H new ATOM 0 HB2 ALA A 256 8.274 15.493 -3.559 1.00 0.00 H new ATOM 0 HB3 ALA A 256 7.987 13.907 -2.805 1.00 0.00 H new ATOM 557 N ARG A 257 5.447 12.401 -3.613 1.00 0.00 N ATOM 558 CA ARG A 257 4.966 11.038 -3.800 1.00 0.00 C ATOM 559 C ARG A 257 3.531 11.034 -4.318 1.00 0.00 C ATOM 560 O ARG A 257 2.765 10.110 -4.046 1.00 0.00 O ATOM 561 CB ARG A 257 5.046 10.261 -2.484 1.00 0.00 C ATOM 562 CG ARG A 257 3.848 10.478 -1.574 1.00 0.00 C ATOM 563 CD ARG A 257 4.229 10.333 -0.109 1.00 0.00 C ATOM 564 NE ARG A 257 3.056 10.318 0.762 1.00 0.00 N ATOM 565 CZ ARG A 257 3.107 10.560 2.067 1.00 0.00 C ATOM 566 NH1 ARG A 257 4.266 10.835 2.649 1.00 0.00 N ATOM 567 NH2 ARG A 257 1.996 10.528 2.792 1.00 0.00 N ATOM 0 H ARG A 257 5.272 12.787 -2.685 1.00 0.00 H new ATOM 0 HA ARG A 257 5.603 10.553 -4.540 1.00 0.00 H new ATOM 0 HB2 ARG A 257 5.136 9.197 -2.705 1.00 0.00 H new ATOM 0 HB3 ARG A 257 5.952 10.554 -1.954 1.00 0.00 H new ATOM 0 HG2 ARG A 257 3.433 11.471 -1.747 1.00 0.00 H new ATOM 0 HG3 ARG A 257 3.067 9.759 -1.821 1.00 0.00 H new ATOM 0 HD2 ARG A 257 4.795 9.412 0.029 1.00 0.00 H new ATOM 0 HD3 ARG A 257 4.884 11.156 0.179 1.00 0.00 H new ATOM 0 HE ARG A 257 2.149 10.110 0.345 1.00 0.00 H new ATOM 0 HH11 ARG A 257 5.122 10.861 2.094 1.00 0.00 H new ATOM 0 HH12 ARG A 257 4.302 11.020 3.651 1.00 0.00 H new ATOM 0 HH21 ARG A 257 1.103 10.318 2.347 1.00 0.00 H new ATOM 0 HH22 ARG A 257 2.035 10.714 3.794 1.00 0.00 H new ATOM 581 N GLN A 258 3.174 12.074 -5.064 1.00 0.00 N ATOM 582 CA GLN A 258 1.831 12.191 -5.619 1.00 0.00 C ATOM 583 C GLN A 258 1.293 10.826 -6.035 1.00 0.00 C ATOM 584 O GLN A 258 1.820 10.192 -6.948 1.00 0.00 O ATOM 585 CB GLN A 258 1.832 13.139 -6.819 1.00 0.00 C ATOM 586 CG GLN A 258 1.807 14.609 -6.434 1.00 0.00 C ATOM 587 CD GLN A 258 2.264 15.516 -7.560 1.00 0.00 C ATOM 588 OE1 GLN A 258 1.470 15.911 -8.414 1.00 0.00 O ATOM 589 NE2 GLN A 258 3.549 15.851 -7.567 1.00 0.00 N ATOM 0 H GLN A 258 3.796 12.848 -5.298 1.00 0.00 H new ATOM 0 HA GLN A 258 1.180 12.598 -4.845 1.00 0.00 H new ATOM 0 HB2 GLN A 258 2.718 12.945 -7.423 1.00 0.00 H new ATOM 0 HB3 GLN A 258 0.966 12.921 -7.444 1.00 0.00 H new ATOM 0 HG2 GLN A 258 0.795 14.886 -6.138 1.00 0.00 H new ATOM 0 HG3 GLN A 258 2.447 14.764 -5.565 1.00 0.00 H new ATOM 0 HE21 GLN A 258 4.171 15.500 -6.839 1.00 0.00 H new ATOM 0 HE22 GLN A 258 3.914 16.459 -8.300 1.00 0.00 H new ATOM 598 N GLY A 259 0.239 10.379 -5.358 1.00 0.00 N ATOM 599 CA GLY A 259 -0.352 9.091 -5.671 1.00 0.00 C ATOM 600 C GLY A 259 0.691 8.021 -5.925 1.00 0.00 C ATOM 601 O GLY A 259 1.792 8.074 -5.376 1.00 0.00 O ATOM 0 H GLY A 259 -0.216 10.886 -4.599 1.00 0.00 H new ATOM 0 HA2 GLY A 259 -0.994 8.780 -4.847 1.00 0.00 H new ATOM 0 HA3 GLY A 259 -0.988 9.191 -6.551 1.00 0.00 H new ATOM 605 N LEU A 260 0.344 7.045 -6.756 1.00 0.00 N ATOM 606 CA LEU A 260 1.258 5.955 -7.080 1.00 0.00 C ATOM 607 C LEU A 260 1.041 5.469 -8.510 1.00 0.00 C ATOM 608 O LEU A 260 -0.076 5.504 -9.027 1.00 0.00 O ATOM 609 CB LEU A 260 1.068 4.795 -6.101 1.00 0.00 C ATOM 610 CG LEU A 260 1.159 5.148 -4.616 1.00 0.00 C ATOM 611 CD1 LEU A 260 0.540 4.049 -3.767 1.00 0.00 C ATOM 612 CD2 LEU A 260 2.607 5.386 -4.213 1.00 0.00 C ATOM 0 H LEU A 260 -0.563 6.986 -7.218 1.00 0.00 H new ATOM 0 HA LEU A 260 2.277 6.331 -6.994 1.00 0.00 H new ATOM 0 HB2 LEU A 260 0.093 4.344 -6.288 1.00 0.00 H new ATOM 0 HB3 LEU A 260 1.818 4.035 -6.320 1.00 0.00 H new ATOM 0 HG LEU A 260 0.600 6.068 -4.445 1.00 0.00 H new ATOM 0 HD11 LEU A 260 0.614 4.318 -2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 260 -0.509 3.927 -4.038 1.00 0.00 H new ATOM 0 HD13 LEU A 260 1.070 3.113 -3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 260 2.653 5.636 -3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 260 3.189 4.484 -4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 260 3.017 6.209 -4.798 1.00 0.00 H new ATOM 624 N LYS A 261 2.117 5.015 -9.144 1.00 0.00 N ATOM 625 CA LYS A 261 2.045 4.518 -10.513 1.00 0.00 C ATOM 626 C LYS A 261 2.557 3.084 -10.599 1.00 0.00 C ATOM 627 O LYS A 261 3.727 2.814 -10.326 1.00 0.00 O ATOM 628 CB LYS A 261 2.858 5.418 -11.447 1.00 0.00 C ATOM 629 CG LYS A 261 3.016 4.855 -12.849 1.00 0.00 C ATOM 630 CD LYS A 261 1.833 5.217 -13.732 1.00 0.00 C ATOM 631 CE LYS A 261 2.083 4.833 -15.183 1.00 0.00 C ATOM 632 NZ LYS A 261 2.729 5.938 -15.945 1.00 0.00 N ATOM 0 H LYS A 261 3.049 4.981 -8.732 1.00 0.00 H new ATOM 0 HA LYS A 261 1.000 4.531 -10.824 1.00 0.00 H new ATOM 0 HB2 LYS A 261 2.376 6.394 -11.509 1.00 0.00 H new ATOM 0 HB3 LYS A 261 3.846 5.578 -11.015 1.00 0.00 H new ATOM 0 HG2 LYS A 261 3.934 5.238 -13.294 1.00 0.00 H new ATOM 0 HG3 LYS A 261 3.115 3.771 -12.798 1.00 0.00 H new ATOM 0 HD2 LYS A 261 0.938 4.711 -13.369 1.00 0.00 H new ATOM 0 HD3 LYS A 261 1.642 6.288 -13.666 1.00 0.00 H new ATOM 0 HE2 LYS A 261 2.717 3.947 -15.220 1.00 0.00 H new ATOM 0 HE3 LYS A 261 1.138 4.569 -15.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 261 2.883 5.638 -16.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 261 2.113 6.776 -15.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 261 3.643 6.173 -15.508 1.00 0.00 H new ATOM 646 N CYS A 262 1.675 2.167 -10.982 1.00 0.00 N ATOM 647 CA CYS A 262 2.037 0.761 -11.106 1.00 0.00 C ATOM 648 C CYS A 262 3.067 0.559 -12.214 1.00 0.00 C ATOM 649 O CYS A 262 2.876 1.013 -13.343 1.00 0.00 O ATOM 650 CB CYS A 262 0.794 -0.085 -11.390 1.00 0.00 C ATOM 651 SG CYS A 262 0.888 -1.785 -10.742 1.00 0.00 S ATOM 0 H CYS A 262 0.703 2.373 -11.212 1.00 0.00 H new ATOM 0 HA CYS A 262 2.478 0.441 -10.162 1.00 0.00 H new ATOM 0 HB2 CYS A 262 -0.076 0.410 -10.958 1.00 0.00 H new ATOM 0 HB3 CYS A 262 0.634 -0.127 -12.467 1.00 0.00 H new ATOM 0 HG CYS A 262 -0.303 -2.304 -10.711 1.00 0.00 H new ATOM 656 N ASP A 263 4.157 -0.124 -11.884 1.00 0.00 N ATOM 657 CA ASP A 263 5.216 -0.387 -12.851 1.00 0.00 C ATOM 658 C ASP A 263 5.006 -1.735 -13.535 1.00 0.00 C ATOM 659 O ASP A 263 5.764 -2.114 -14.427 1.00 0.00 O ATOM 660 CB ASP A 263 6.582 -0.358 -12.164 1.00 0.00 C ATOM 661 CG ASP A 263 7.175 1.037 -12.114 1.00 0.00 C ATOM 662 OD1 ASP A 263 6.888 1.837 -13.028 1.00 0.00 O ATOM 663 OD2 ASP A 263 7.926 1.328 -11.159 1.00 0.00 O ATOM 0 H ASP A 263 4.331 -0.506 -10.954 1.00 0.00 H new ATOM 0 HA ASP A 263 5.183 0.395 -13.610 1.00 0.00 H new ATOM 0 HB2 ASP A 263 6.484 -0.745 -11.150 1.00 0.00 H new ATOM 0 HB3 ASP A 263 7.266 -1.022 -12.693 1.00 0.00 H new ATOM 668 N ALA A 264 3.972 -2.453 -13.109 1.00 0.00 N ATOM 669 CA ALA A 264 3.662 -3.758 -13.680 1.00 0.00 C ATOM 670 C ALA A 264 2.638 -3.635 -14.804 1.00 0.00 C ATOM 671 O ALA A 264 2.910 -4.001 -15.948 1.00 0.00 O ATOM 672 CB ALA A 264 3.151 -4.699 -12.600 1.00 0.00 C ATOM 0 H ALA A 264 3.335 -2.153 -12.371 1.00 0.00 H new ATOM 0 HA ALA A 264 4.579 -4.170 -14.101 1.00 0.00 H new ATOM 0 HB1 ALA A 264 2.924 -5.670 -13.041 1.00 0.00 H new ATOM 0 HB2 ALA A 264 3.914 -4.820 -11.831 1.00 0.00 H new ATOM 0 HB3 ALA A 264 2.248 -4.283 -12.153 1.00 0.00 H new ATOM 678 N CYS A 265 1.460 -3.119 -14.471 1.00 0.00 N ATOM 679 CA CYS A 265 0.394 -2.949 -15.452 1.00 0.00 C ATOM 680 C CYS A 265 0.392 -1.530 -16.012 1.00 0.00 C ATOM 681 O CYS A 265 0.091 -1.315 -17.186 1.00 0.00 O ATOM 682 CB CYS A 265 -0.964 -3.261 -14.820 1.00 0.00 C ATOM 683 SG CYS A 265 -1.466 -2.089 -13.519 1.00 0.00 S ATOM 0 H CYS A 265 1.219 -2.811 -13.529 1.00 0.00 H new ATOM 0 HA CYS A 265 0.574 -3.645 -16.272 1.00 0.00 H new ATOM 0 HB2 CYS A 265 -1.724 -3.267 -15.602 1.00 0.00 H new ATOM 0 HB3 CYS A 265 -0.934 -4.265 -14.397 1.00 0.00 H new ATOM 0 HG CYS A 265 -0.561 -2.062 -12.586 1.00 0.00 H new ATOM 688 N GLY A 266 0.731 -0.564 -15.164 1.00 0.00 N ATOM 689 CA GLY A 266 0.762 0.823 -15.592 1.00 0.00 C ATOM 690 C GLY A 266 -0.532 1.552 -15.290 1.00 0.00 C ATOM 691 O GLY A 266 -1.318 1.836 -16.193 1.00 0.00 O ATOM 0 H GLY A 266 0.985 -0.717 -14.188 1.00 0.00 H new ATOM 0 HA2 GLY A 266 1.588 1.334 -15.097 1.00 0.00 H new ATOM 0 HA3 GLY A 266 0.958 0.865 -16.663 1.00 0.00 H new ATOM 695 N MET A 267 -0.755 1.855 -14.015 1.00 0.00 N ATOM 696 CA MET A 267 -1.964 2.555 -13.596 1.00 0.00 C ATOM 697 C MET A 267 -1.664 3.522 -12.455 1.00 0.00 C ATOM 698 O MET A 267 -1.037 3.151 -11.464 1.00 0.00 O ATOM 699 CB MET A 267 -3.035 1.553 -13.163 1.00 0.00 C ATOM 700 CG MET A 267 -4.392 2.188 -12.904 1.00 0.00 C ATOM 701 SD MET A 267 -5.712 0.969 -12.754 1.00 0.00 S ATOM 702 CE MET A 267 -4.859 -0.351 -11.895 1.00 0.00 C ATOM 0 H MET A 267 -0.115 1.627 -13.255 1.00 0.00 H new ATOM 0 HA MET A 267 -2.336 3.128 -14.446 1.00 0.00 H new ATOM 0 HB2 MET A 267 -3.141 0.791 -13.935 1.00 0.00 H new ATOM 0 HB3 MET A 267 -2.702 1.046 -12.258 1.00 0.00 H new ATOM 0 HG2 MET A 267 -4.343 2.780 -11.990 1.00 0.00 H new ATOM 0 HG3 MET A 267 -4.628 2.875 -13.716 1.00 0.00 H new ATOM 0 HE1 MET A 267 -5.576 -1.118 -11.603 1.00 0.00 H new ATOM 0 HE2 MET A 267 -4.108 -0.788 -12.553 1.00 0.00 H new ATOM 0 HE3 MET A 267 -4.373 0.049 -11.005 1.00 0.00 H new ATOM 712 N ASN A 268 -2.116 4.763 -12.603 1.00 0.00 N ATOM 713 CA ASN A 268 -1.895 5.783 -11.584 1.00 0.00 C ATOM 714 C ASN A 268 -3.083 5.865 -10.630 1.00 0.00 C ATOM 715 O ASN A 268 -4.230 5.991 -11.059 1.00 0.00 O ATOM 716 CB ASN A 268 -1.658 7.145 -12.240 1.00 0.00 C ATOM 717 CG ASN A 268 -0.920 7.031 -13.560 1.00 0.00 C ATOM 718 OD1 ASN A 268 -1.247 6.187 -14.395 1.00 0.00 O ATOM 719 ND2 ASN A 268 0.081 7.882 -13.753 1.00 0.00 N ATOM 0 H ASN A 268 -2.637 5.087 -13.418 1.00 0.00 H new ATOM 0 HA ASN A 268 -1.011 5.504 -11.011 1.00 0.00 H new ATOM 0 HB2 ASN A 268 -2.616 7.638 -12.404 1.00 0.00 H new ATOM 0 HB3 ASN A 268 -1.086 7.778 -11.561 1.00 0.00 H new ATOM 0 HD21 ASN A 268 0.615 7.853 -14.622 1.00 0.00 H new ATOM 0 HD22 ASN A 268 0.316 8.565 -13.032 1.00 0.00 H new ATOM 726 N VAL A 269 -2.799 5.793 -9.333 1.00 0.00 N ATOM 727 CA VAL A 269 -3.843 5.861 -8.318 1.00 0.00 C ATOM 728 C VAL A 269 -3.300 6.423 -7.008 1.00 0.00 C ATOM 729 O VAL A 269 -2.113 6.290 -6.708 1.00 0.00 O ATOM 730 CB VAL A 269 -4.459 4.475 -8.052 1.00 0.00 C ATOM 731 CG1 VAL A 269 -5.019 3.885 -9.338 1.00 0.00 C ATOM 732 CG2 VAL A 269 -3.428 3.543 -7.434 1.00 0.00 C ATOM 0 H VAL A 269 -1.855 5.688 -8.961 1.00 0.00 H new ATOM 0 HA VAL A 269 -4.616 6.526 -8.703 1.00 0.00 H new ATOM 0 HB VAL A 269 -5.280 4.591 -7.345 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -5.450 2.906 -9.131 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -5.790 4.545 -9.735 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -4.218 3.782 -10.070 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -3.881 2.568 -7.253 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -2.585 3.430 -8.115 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -3.078 3.962 -6.490 1.00 0.00 H new ATOM 742 N HIS A 270 -4.176 7.051 -6.231 1.00 0.00 N ATOM 743 CA HIS A 270 -3.785 7.632 -4.952 1.00 0.00 C ATOM 744 C HIS A 270 -2.981 6.634 -4.125 1.00 0.00 C ATOM 745 O HIS A 270 -2.860 5.464 -4.490 1.00 0.00 O ATOM 746 CB HIS A 270 -5.021 8.079 -4.172 1.00 0.00 C ATOM 747 CG HIS A 270 -5.515 9.439 -4.559 1.00 0.00 C ATOM 748 ND1 HIS A 270 -6.742 9.655 -5.149 1.00 0.00 N ATOM 749 CD2 HIS A 270 -4.938 10.658 -4.437 1.00 0.00 C ATOM 750 CE1 HIS A 270 -6.899 10.947 -5.374 1.00 0.00 C ATOM 751 NE2 HIS A 270 -5.819 11.578 -4.951 1.00 0.00 N ATOM 0 H HIS A 270 -5.162 7.171 -6.465 1.00 0.00 H new ATOM 0 HA HIS A 270 -3.157 8.500 -5.152 1.00 0.00 H new ATOM 0 HB2 HIS A 270 -5.820 7.354 -4.327 1.00 0.00 H new ATOM 0 HB3 HIS A 270 -4.789 8.075 -3.107 1.00 0.00 H new ATOM 0 HD2 HIS A 270 -3.966 10.868 -4.014 1.00 0.00 H new ATOM 0 HE1 HIS A 270 -7.764 11.409 -5.827 1.00 0.00 H new ATOM 0 HE2 HIS A 270 -5.664 12.585 -4.998 1.00 0.00 H new ATOM 759 N HIS A 271 -2.432 7.103 -3.009 1.00 0.00 N ATOM 760 CA HIS A 271 -1.639 6.251 -2.130 1.00 0.00 C ATOM 761 C HIS A 271 -2.519 5.215 -1.439 1.00 0.00 C ATOM 762 O HIS A 271 -2.078 4.100 -1.158 1.00 0.00 O ATOM 763 CB HIS A 271 -0.911 7.098 -1.085 1.00 0.00 C ATOM 764 CG HIS A 271 0.372 6.490 -0.609 1.00 0.00 C ATOM 765 ND1 HIS A 271 1.612 6.993 -0.942 1.00 0.00 N ATOM 766 CD2 HIS A 271 0.604 5.415 0.180 1.00 0.00 C ATOM 767 CE1 HIS A 271 2.551 6.253 -0.380 1.00 0.00 C ATOM 768 NE2 HIS A 271 1.965 5.288 0.307 1.00 0.00 N ATOM 0 H HIS A 271 -2.522 8.068 -2.692 1.00 0.00 H new ATOM 0 HA HIS A 271 -0.903 5.727 -2.740 1.00 0.00 H new ATOM 0 HB2 HIS A 271 -0.703 8.081 -1.507 1.00 0.00 H new ATOM 0 HB3 HIS A 271 -1.570 7.251 -0.230 1.00 0.00 H new ATOM 0 HD2 HIS A 271 -0.143 4.776 0.627 1.00 0.00 H new ATOM 0 HE1 HIS A 271 3.616 6.410 -0.467 1.00 0.00 H new ATOM 0 HE2 HIS A 271 2.446 4.566 0.844 1.00 0.00 H new ATOM 776 N ARG A 272 -3.764 5.590 -1.167 1.00 0.00 N ATOM 777 CA ARG A 272 -4.705 4.693 -0.506 1.00 0.00 C ATOM 778 C ARG A 272 -5.552 3.943 -1.531 1.00 0.00 C ATOM 779 O ARG A 272 -5.720 2.727 -1.442 1.00 0.00 O ATOM 780 CB ARG A 272 -5.612 5.479 0.443 1.00 0.00 C ATOM 781 CG ARG A 272 -6.775 4.666 0.987 1.00 0.00 C ATOM 782 CD ARG A 272 -7.554 5.443 2.037 1.00 0.00 C ATOM 783 NE ARG A 272 -8.315 6.543 1.451 1.00 0.00 N ATOM 784 CZ ARG A 272 -9.361 6.369 0.651 1.00 0.00 C ATOM 785 NH1 ARG A 272 -9.768 5.145 0.343 1.00 0.00 N ATOM 786 NH2 ARG A 272 -10.003 7.420 0.157 1.00 0.00 N ATOM 0 H ARG A 272 -4.145 6.509 -1.394 1.00 0.00 H new ATOM 0 HA ARG A 272 -4.132 3.966 0.069 1.00 0.00 H new ATOM 0 HB2 ARG A 272 -5.017 5.849 1.278 1.00 0.00 H new ATOM 0 HB3 ARG A 272 -6.003 6.351 -0.081 1.00 0.00 H new ATOM 0 HG2 ARG A 272 -7.441 4.389 0.170 1.00 0.00 H new ATOM 0 HG3 ARG A 272 -6.401 3.739 1.422 1.00 0.00 H new ATOM 0 HD2 ARG A 272 -8.234 4.768 2.557 1.00 0.00 H new ATOM 0 HD3 ARG A 272 -6.864 5.837 2.783 1.00 0.00 H new ATOM 0 HE ARG A 272 -8.028 7.497 1.668 1.00 0.00 H new ATOM 0 HH11 ARG A 272 -9.278 4.334 0.721 1.00 0.00 H new ATOM 0 HH12 ARG A 272 -10.572 5.014 -0.272 1.00 0.00 H new ATOM 0 HH21 ARG A 272 -9.693 8.363 0.391 1.00 0.00 H new ATOM 0 HH22 ARG A 272 -10.806 7.285 -0.457 1.00 0.00 H new ATOM 800 N CYS A 273 -6.084 4.678 -2.503 1.00 0.00 N ATOM 801 CA CYS A 273 -6.914 4.084 -3.544 1.00 0.00 C ATOM 802 C CYS A 273 -6.287 2.797 -4.071 1.00 0.00 C ATOM 803 O CYS A 273 -6.992 1.875 -4.482 1.00 0.00 O ATOM 804 CB CYS A 273 -7.113 5.075 -4.693 1.00 0.00 C ATOM 805 SG CYS A 273 -8.248 6.446 -4.304 1.00 0.00 S ATOM 0 H CYS A 273 -5.955 5.686 -2.591 1.00 0.00 H new ATOM 0 HA CYS A 273 -7.884 3.843 -3.108 1.00 0.00 H new ATOM 0 HB2 CYS A 273 -6.144 5.488 -4.974 1.00 0.00 H new ATOM 0 HB3 CYS A 273 -7.494 4.537 -5.561 1.00 0.00 H new ATOM 0 HG CYS A 273 -8.612 7.034 -5.405 1.00 0.00 H new ATOM 810 N GLN A 274 -4.959 2.742 -4.055 1.00 0.00 N ATOM 811 CA GLN A 274 -4.238 1.568 -4.532 1.00 0.00 C ATOM 812 C GLN A 274 -4.768 0.298 -3.873 1.00 0.00 C ATOM 813 O GLN A 274 -5.081 -0.682 -4.550 1.00 0.00 O ATOM 814 CB GLN A 274 -2.741 1.714 -4.253 1.00 0.00 C ATOM 815 CG GLN A 274 -2.319 1.173 -2.897 1.00 0.00 C ATOM 816 CD GLN A 274 -0.820 1.241 -2.682 1.00 0.00 C ATOM 817 OE1 GLN A 274 -0.038 0.868 -3.556 1.00 0.00 O ATOM 818 NE2 GLN A 274 -0.410 1.721 -1.513 1.00 0.00 N ATOM 0 H GLN A 274 -4.361 3.496 -3.717 1.00 0.00 H new ATOM 0 HA GLN A 274 -4.394 1.490 -5.608 1.00 0.00 H new ATOM 0 HB2 GLN A 274 -2.183 1.195 -5.032 1.00 0.00 H new ATOM 0 HB3 GLN A 274 -2.470 2.768 -4.315 1.00 0.00 H new ATOM 0 HG2 GLN A 274 -2.821 1.739 -2.112 1.00 0.00 H new ATOM 0 HG3 GLN A 274 -2.649 0.138 -2.804 1.00 0.00 H new ATOM 0 HE21 GLN A 274 -1.093 2.019 -0.816 1.00 0.00 H new ATOM 0 HE22 GLN A 274 0.588 1.791 -1.312 1.00 0.00 H new ATOM 827 N THR A 275 -4.865 0.322 -2.547 1.00 0.00 N ATOM 828 CA THR A 275 -5.356 -0.827 -1.796 1.00 0.00 C ATOM 829 C THR A 275 -6.830 -1.085 -2.087 1.00 0.00 C ATOM 830 O THR A 275 -7.378 -2.117 -1.701 1.00 0.00 O ATOM 831 CB THR A 275 -5.170 -0.628 -0.280 1.00 0.00 C ATOM 832 OG1 THR A 275 -5.583 0.691 0.095 1.00 0.00 O ATOM 833 CG2 THR A 275 -3.718 -0.843 0.120 1.00 0.00 C ATOM 0 H THR A 275 -4.610 1.125 -1.971 1.00 0.00 H new ATOM 0 HA THR A 275 -4.770 -1.688 -2.116 1.00 0.00 H new ATOM 0 HB THR A 275 -5.786 -1.363 0.239 1.00 0.00 H new ATOM 0 HG1 THR A 275 -5.894 1.174 -0.699 1.00 0.00 H new ATOM 0 HG21 THR A 275 -3.611 -0.697 1.195 1.00 0.00 H new ATOM 0 HG22 THR A 275 -3.415 -1.857 -0.140 1.00 0.00 H new ATOM 0 HG23 THR A 275 -3.086 -0.129 -0.408 1.00 0.00 H new ATOM 841 N LYS A 276 -7.468 -0.140 -2.770 1.00 0.00 N ATOM 842 CA LYS A 276 -8.879 -0.266 -3.115 1.00 0.00 C ATOM 843 C LYS A 276 -9.054 -1.044 -4.416 1.00 0.00 C ATOM 844 O LYS A 276 -10.062 -1.722 -4.614 1.00 0.00 O ATOM 845 CB LYS A 276 -9.518 1.119 -3.247 1.00 0.00 C ATOM 846 CG LYS A 276 -9.196 2.049 -2.090 1.00 0.00 C ATOM 847 CD LYS A 276 -9.879 1.602 -0.809 1.00 0.00 C ATOM 848 CE LYS A 276 -9.024 0.608 -0.039 1.00 0.00 C ATOM 849 NZ LYS A 276 -8.117 1.288 0.928 1.00 0.00 N ATOM 0 H LYS A 276 -7.030 0.722 -3.095 1.00 0.00 H new ATOM 0 HA LYS A 276 -9.376 -0.815 -2.315 1.00 0.00 H new ATOM 0 HB2 LYS A 276 -9.181 1.578 -4.176 1.00 0.00 H new ATOM 0 HB3 LYS A 276 -10.600 1.006 -3.321 1.00 0.00 H new ATOM 0 HG2 LYS A 276 -8.117 2.080 -1.936 1.00 0.00 H new ATOM 0 HG3 LYS A 276 -9.512 3.062 -2.338 1.00 0.00 H new ATOM 0 HD2 LYS A 276 -10.083 2.470 -0.182 1.00 0.00 H new ATOM 0 HD3 LYS A 276 -10.841 1.148 -1.048 1.00 0.00 H new ATOM 0 HE2 LYS A 276 -9.670 -0.088 0.497 1.00 0.00 H new ATOM 0 HE3 LYS A 276 -8.432 0.019 -0.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 276 -7.132 1.191 0.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 276 -8.364 2.297 0.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 276 -8.221 0.852 1.867 1.00 0.00 H new ATOM 863 N VAL A 277 -8.066 -0.943 -5.298 1.00 0.00 N ATOM 864 CA VAL A 277 -8.110 -1.639 -6.579 1.00 0.00 C ATOM 865 C VAL A 277 -7.927 -3.141 -6.394 1.00 0.00 C ATOM 866 O VAL A 277 -7.258 -3.585 -5.461 1.00 0.00 O ATOM 867 CB VAL A 277 -7.026 -1.116 -7.540 1.00 0.00 C ATOM 868 CG1 VAL A 277 -7.467 -1.286 -8.986 1.00 0.00 C ATOM 869 CG2 VAL A 277 -6.707 0.341 -7.240 1.00 0.00 C ATOM 0 H VAL A 277 -7.225 -0.386 -5.150 1.00 0.00 H new ATOM 0 HA VAL A 277 -9.092 -1.445 -7.011 1.00 0.00 H new ATOM 0 HB VAL A 277 -6.119 -1.702 -7.390 1.00 0.00 H new ATOM 0 HG11 VAL A 277 -6.688 -0.911 -9.650 1.00 0.00 H new ATOM 0 HG12 VAL A 277 -7.642 -2.342 -9.191 1.00 0.00 H new ATOM 0 HG13 VAL A 277 -8.387 -0.727 -9.154 1.00 0.00 H new ATOM 0 HG21 VAL A 277 -5.939 0.695 -7.928 1.00 0.00 H new ATOM 0 HG22 VAL A 277 -7.608 0.943 -7.361 1.00 0.00 H new ATOM 0 HG23 VAL A 277 -6.345 0.431 -6.216 1.00 0.00 H new ATOM 879 N ALA A 278 -8.526 -3.919 -7.289 1.00 0.00 N ATOM 880 CA ALA A 278 -8.427 -5.372 -7.226 1.00 0.00 C ATOM 881 C ALA A 278 -6.977 -5.829 -7.340 1.00 0.00 C ATOM 882 O ALA A 278 -6.186 -5.238 -8.073 1.00 0.00 O ATOM 883 CB ALA A 278 -9.270 -6.006 -8.323 1.00 0.00 C ATOM 0 H ALA A 278 -9.085 -3.568 -8.066 1.00 0.00 H new ATOM 0 HA ALA A 278 -8.807 -5.696 -6.257 1.00 0.00 H new ATOM 0 HB1 ALA A 278 -9.187 -7.091 -8.264 1.00 0.00 H new ATOM 0 HB2 ALA A 278 -10.312 -5.714 -8.195 1.00 0.00 H new ATOM 0 HB3 ALA A 278 -8.915 -5.667 -9.296 1.00 0.00 H new ATOM 889 N ASN A 279 -6.635 -6.886 -6.609 1.00 0.00 N ATOM 890 CA ASN A 279 -5.279 -7.421 -6.628 1.00 0.00 C ATOM 891 C ASN A 279 -5.046 -8.270 -7.874 1.00 0.00 C ATOM 892 O ASN A 279 -4.649 -9.432 -7.782 1.00 0.00 O ATOM 893 CB ASN A 279 -5.021 -8.257 -5.372 1.00 0.00 C ATOM 894 CG ASN A 279 -3.547 -8.336 -5.023 1.00 0.00 C ATOM 895 OD1 ASN A 279 -3.041 -7.539 -4.233 1.00 0.00 O ATOM 896 ND2 ASN A 279 -2.851 -9.301 -5.613 1.00 0.00 N ATOM 0 H ASN A 279 -7.278 -7.388 -5.997 1.00 0.00 H new ATOM 0 HA ASN A 279 -4.584 -6.581 -6.647 1.00 0.00 H new ATOM 0 HB2 ASN A 279 -5.568 -7.826 -4.533 1.00 0.00 H new ATOM 0 HB3 ASN A 279 -5.410 -9.264 -5.523 1.00 0.00 H new ATOM 0 HD21 ASN A 279 -1.855 -9.404 -5.418 1.00 0.00 H new ATOM 0 HD22 ASN A 279 -3.312 -9.939 -6.261 1.00 0.00 H new ATOM 903 N LEU A 280 -5.295 -7.682 -9.039 1.00 0.00 N ATOM 904 CA LEU A 280 -5.112 -8.383 -10.305 1.00 0.00 C ATOM 905 C LEU A 280 -4.276 -7.552 -11.272 1.00 0.00 C ATOM 906 O LEU A 280 -4.813 -6.862 -12.140 1.00 0.00 O ATOM 907 CB LEU A 280 -6.469 -8.705 -10.933 1.00 0.00 C ATOM 908 CG LEU A 280 -7.360 -9.668 -10.147 1.00 0.00 C ATOM 909 CD1 LEU A 280 -8.828 -9.395 -10.439 1.00 0.00 C ATOM 910 CD2 LEU A 280 -7.008 -11.111 -10.478 1.00 0.00 C ATOM 0 H LEU A 280 -5.624 -6.721 -9.133 1.00 0.00 H new ATOM 0 HA LEU A 280 -4.582 -9.314 -10.103 1.00 0.00 H new ATOM 0 HB2 LEU A 280 -7.013 -7.771 -11.073 1.00 0.00 H new ATOM 0 HB3 LEU A 280 -6.298 -9.126 -11.924 1.00 0.00 H new ATOM 0 HG LEU A 280 -7.186 -9.508 -9.083 1.00 0.00 H new ATOM 0 HD11 LEU A 280 -9.447 -10.090 -9.871 1.00 0.00 H new ATOM 0 HD12 LEU A 280 -9.072 -8.372 -10.151 1.00 0.00 H new ATOM 0 HD13 LEU A 280 -9.018 -9.527 -11.504 1.00 0.00 H new ATOM 0 HD21 LEU A 280 -7.652 -11.782 -9.910 1.00 0.00 H new ATOM 0 HD22 LEU A 280 -7.153 -11.285 -11.544 1.00 0.00 H new ATOM 0 HD23 LEU A 280 -5.967 -11.300 -10.218 1.00 0.00 H new ATOM 922 N CYS A 281 -2.958 -7.622 -11.118 1.00 0.00 N ATOM 923 CA CYS A 281 -2.046 -6.878 -11.979 1.00 0.00 C ATOM 924 C CYS A 281 -1.609 -7.725 -13.170 1.00 0.00 C ATOM 925 O CYS A 281 -1.152 -8.856 -13.007 1.00 0.00 O ATOM 926 CB CYS A 281 -0.820 -6.423 -11.185 1.00 0.00 C ATOM 927 SG CYS A 281 0.162 -5.129 -12.011 1.00 0.00 S ATOM 0 H CYS A 281 -2.497 -8.187 -10.404 1.00 0.00 H new ATOM 0 HA CYS A 281 -2.574 -6.001 -12.354 1.00 0.00 H new ATOM 0 HB2 CYS A 281 -1.147 -6.052 -10.214 1.00 0.00 H new ATOM 0 HB3 CYS A 281 -0.181 -7.286 -10.998 1.00 0.00 H new ATOM 0 HG CYS A 281 0.150 -4.048 -11.289 1.00 0.00 H new ATOM 932 N GLY A 282 -1.752 -7.169 -14.369 1.00 0.00 N ATOM 933 CA GLY A 282 -1.367 -7.887 -15.571 1.00 0.00 C ATOM 934 C GLY A 282 -2.460 -8.811 -16.069 1.00 0.00 C ATOM 935 O GLY A 282 -2.378 -9.340 -17.178 1.00 0.00 O ATOM 0 H GLY A 282 -2.127 -6.234 -14.530 1.00 0.00 H new ATOM 0 HA2 GLY A 282 -1.116 -7.171 -16.354 1.00 0.00 H new ATOM 0 HA3 GLY A 282 -0.467 -8.469 -15.371 1.00 0.00 H new ATOM 939 N ILE A 283 -3.486 -9.008 -15.248 1.00 0.00 N ATOM 940 CA ILE A 283 -4.600 -9.876 -15.611 1.00 0.00 C ATOM 941 C ILE A 283 -5.703 -9.090 -16.312 1.00 0.00 C ATOM 942 O ILE A 283 -5.813 -9.114 -17.537 1.00 0.00 O ATOM 943 CB ILE A 283 -5.192 -10.580 -14.376 1.00 0.00 C ATOM 944 CG1 ILE A 283 -4.148 -11.495 -13.734 1.00 0.00 C ATOM 945 CG2 ILE A 283 -6.433 -11.371 -14.761 1.00 0.00 C ATOM 946 CD1 ILE A 283 -4.748 -12.663 -12.984 1.00 0.00 C ATOM 0 H ILE A 283 -3.569 -8.578 -14.327 1.00 0.00 H new ATOM 0 HA ILE A 283 -4.204 -10.629 -16.292 1.00 0.00 H new ATOM 0 HB ILE A 283 -5.480 -9.822 -13.648 1.00 0.00 H new ATOM 0 HG12 ILE A 283 -3.483 -11.875 -14.510 1.00 0.00 H new ATOM 0 HG13 ILE A 283 -3.536 -10.909 -13.048 1.00 0.00 H new ATOM 0 HG21 ILE A 283 -6.840 -11.863 -13.877 1.00 0.00 H new ATOM 0 HG22 ILE A 283 -7.181 -10.695 -15.177 1.00 0.00 H new ATOM 0 HG23 ILE A 283 -6.169 -12.122 -15.505 1.00 0.00 H new ATOM 0 HD11 ILE A 283 -3.950 -13.269 -12.555 1.00 0.00 H new ATOM 0 HD12 ILE A 283 -5.390 -12.291 -12.186 1.00 0.00 H new ATOM 0 HD13 ILE A 283 -5.337 -13.272 -13.670 1.00 0.00 H new ATOM 958 N ASN A 284 -6.516 -8.392 -15.526 1.00 0.00 N ATOM 959 CA ASN A 284 -7.610 -7.597 -16.071 1.00 0.00 C ATOM 960 C ASN A 284 -7.122 -6.710 -17.212 1.00 0.00 C ATOM 961 O ASN A 284 -7.642 -6.771 -18.326 1.00 0.00 O ATOM 962 CB ASN A 284 -8.239 -6.736 -14.974 1.00 0.00 C ATOM 963 CG ASN A 284 -9.641 -6.280 -15.329 1.00 0.00 C ATOM 964 OD1 ASN A 284 -10.040 -6.312 -16.493 1.00 0.00 O ATOM 965 ND2 ASN A 284 -10.395 -5.850 -14.324 1.00 0.00 N ATOM 0 H ASN A 284 -6.438 -8.361 -14.509 1.00 0.00 H new ATOM 0 HA ASN A 284 -8.363 -8.281 -16.463 1.00 0.00 H new ATOM 0 HB2 ASN A 284 -8.269 -7.303 -14.044 1.00 0.00 H new ATOM 0 HB3 ASN A 284 -7.610 -5.864 -14.796 1.00 0.00 H new ATOM 0 HD21 ASN A 284 -11.347 -5.529 -14.502 1.00 0.00 H new ATOM 0 HD22 ASN A 284 -10.023 -5.841 -13.374 1.00 0.00 H new