USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 424 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 232 HIS : no HD1:sc= -1.2 K(o=-7.6,f=-10!) USER MOD Set 1.2: A 262 CYS SG : rot 158:sc= -1.65 USER MOD Set 1.3: A 265 CYS SG : rot -52:sc= 0.235 USER MOD Set 1.4: A 267 MET CE :methyl 167:sc= -0.281 (180deg=-0.962) USER MOD Set 1.5: A 281 CYS SG : rot 120:sc= -4.7! USER MOD Set 2.1: A 245 CYS SG : rot -25:sc= -0.549 USER MOD Set 2.2: A 248 CYS SG : rot -70:sc= 0.94 USER MOD Set 2.3: A 250 THR OG1 : rot -95:sc= 0.865 USER MOD Set 2.4: A 270 HIS : no HE2:sc= -0.87 K(o=-1.1,f=-2.1) USER MOD Set 2.5: A 273 CYS SG : rot -165:sc= -1.45 USER MOD Set 3.1: A 239 TYR OH : rot 110:sc= -1.62! USER MOD Set 3.2: A 268 ASN : amide:sc= -3.96! C(o=-5.6!,f=-6.4!) USER MOD Single : A 230 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 235 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0017) USER MOD Single : A 237 TYR OH : rot 180:sc= 0 USER MOD Single : A 238 ASN : amide:sc= -0.787 K(o=-0.79,f=-1.9) 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 HE2:sc= -6.82! C(o=-6.8!,f=-7.1!) USER MOD Single : A 258 GLN : amide:sc= 0.562 K(o=0.56,f=-0.063) USER MOD Single : A 261 LYS NZ :NH3+ 167:sc= 1.12 (180deg=0.989) USER MOD Single : A 271 HIS : no HD1:sc= -0.0153 X(o=-0.015,f=-0.39) USER MOD Single : A 274 GLN : amide:sc= 0.137 K(o=0.14,f=-0.49) USER MOD Single : A 275 THR OG1 : rot -36:sc= 0.603 USER MOD Single : A 276 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 279 ASN : amide:sc= -0.0142 X(o=-0.014,f=-0.014) USER MOD Single : A 284 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 107 N ASP A 229 -3.905 -13.887 -8.668 1.00 0.00 N ATOM 108 CA ASP A 229 -4.009 -12.461 -8.954 1.00 0.00 C ATOM 109 C ASP A 229 -2.832 -11.699 -8.353 1.00 0.00 C ATOM 110 O ASP A 229 -2.793 -11.449 -7.148 1.00 0.00 O ATOM 111 CB ASP A 229 -5.325 -11.904 -8.410 1.00 0.00 C ATOM 112 CG ASP A 229 -6.443 -12.928 -8.439 1.00 0.00 C ATOM 113 OD1 ASP A 229 -6.383 -13.848 -9.280 1.00 0.00 O ATOM 114 OD2 ASP A 229 -7.378 -12.808 -7.620 1.00 0.00 O ATOM 0 HA ASP A 229 -3.989 -12.330 -10.036 1.00 0.00 H new ATOM 0 HB2 ASP A 229 -5.176 -11.562 -7.386 1.00 0.00 H new ATOM 0 HB3 ASP A 229 -5.618 -11.034 -8.997 1.00 0.00 H new ATOM 119 N MET A 230 -1.875 -11.334 -9.199 1.00 0.00 N ATOM 120 CA MET A 230 -0.697 -10.601 -8.751 1.00 0.00 C ATOM 121 C MET A 230 -1.060 -9.167 -8.375 1.00 0.00 C ATOM 122 O MET A 230 -1.898 -8.527 -9.010 1.00 0.00 O ATOM 123 CB MET A 230 0.375 -10.599 -9.842 1.00 0.00 C ATOM 124 CG MET A 230 1.345 -11.765 -9.743 1.00 0.00 C ATOM 125 SD MET A 230 0.664 -13.294 -10.414 1.00 0.00 S ATOM 126 CE MET A 230 1.871 -14.484 -9.837 1.00 0.00 C ATOM 0 H MET A 230 -1.892 -11.534 -10.199 1.00 0.00 H new ATOM 0 HA MET A 230 -0.303 -11.101 -7.867 1.00 0.00 H new ATOM 0 HB2 MET A 230 -0.111 -10.623 -10.817 1.00 0.00 H new ATOM 0 HB3 MET A 230 0.935 -9.665 -9.788 1.00 0.00 H new ATOM 0 HG2 MET A 230 2.262 -11.516 -10.276 1.00 0.00 H new ATOM 0 HG3 MET A 230 1.615 -11.920 -8.699 1.00 0.00 H new ATOM 0 HE1 MET A 230 1.588 -15.482 -10.173 1.00 0.00 H new ATOM 0 HE2 MET A 230 2.852 -14.231 -10.239 1.00 0.00 H new ATOM 0 HE3 MET A 230 1.909 -14.465 -8.748 1.00 0.00 H new ATOM 136 N PRO A 231 -0.415 -8.650 -7.319 1.00 0.00 N ATOM 137 CA PRO A 231 -0.653 -7.287 -6.836 1.00 0.00 C ATOM 138 C PRO A 231 -0.126 -6.230 -7.799 1.00 0.00 C ATOM 139 O PRO A 231 0.538 -6.550 -8.786 1.00 0.00 O ATOM 140 CB PRO A 231 0.118 -7.239 -5.514 1.00 0.00 C ATOM 141 CG PRO A 231 1.186 -8.267 -5.662 1.00 0.00 C ATOM 142 CD PRO A 231 0.597 -9.356 -6.515 1.00 0.00 C ATOM 0 HA PRO A 231 -1.716 -7.071 -6.733 1.00 0.00 H new ATOM 0 HB2 PRO A 231 0.542 -6.250 -5.338 1.00 0.00 H new ATOM 0 HB3 PRO A 231 -0.532 -7.462 -4.668 1.00 0.00 H new ATOM 0 HG2 PRO A 231 2.074 -7.842 -6.130 1.00 0.00 H new ATOM 0 HG3 PRO A 231 1.492 -8.655 -4.690 1.00 0.00 H new ATOM 0 HD2 PRO A 231 1.353 -9.827 -7.144 1.00 0.00 H new ATOM 0 HD3 PRO A 231 0.150 -10.144 -5.909 1.00 0.00 H new ATOM 150 N HIS A 232 -0.424 -4.968 -7.507 1.00 0.00 N ATOM 151 CA HIS A 232 0.022 -3.862 -8.348 1.00 0.00 C ATOM 152 C HIS A 232 1.314 -3.256 -7.808 1.00 0.00 C ATOM 153 O HIS A 232 1.358 -2.771 -6.678 1.00 0.00 O ATOM 154 CB HIS A 232 -1.063 -2.789 -8.433 1.00 0.00 C ATOM 155 CG HIS A 232 -2.303 -3.244 -9.139 1.00 0.00 C ATOM 156 ND1 HIS A 232 -2.349 -3.489 -10.496 1.00 0.00 N ATOM 157 CD2 HIS A 232 -3.546 -3.502 -8.669 1.00 0.00 C ATOM 158 CE1 HIS A 232 -3.568 -3.875 -10.830 1.00 0.00 C ATOM 159 NE2 HIS A 232 -4.313 -3.892 -9.739 1.00 0.00 N ATOM 0 H HIS A 232 -0.972 -4.685 -6.695 1.00 0.00 H new ATOM 0 HA HIS A 232 0.215 -4.252 -9.347 1.00 0.00 H new ATOM 0 HB2 HIS A 232 -1.326 -2.469 -7.425 1.00 0.00 H new ATOM 0 HB3 HIS A 232 -0.660 -1.917 -8.949 1.00 0.00 H new ATOM 0 HD2 HIS A 232 -3.873 -3.417 -7.643 1.00 0.00 H new ATOM 0 HE1 HIS A 232 -3.899 -4.133 -11.825 1.00 0.00 H new ATOM 0 HE2 HIS A 232 -5.298 -4.153 -9.698 1.00 0.00 H new ATOM 167 N ARG A 233 2.363 -3.287 -8.624 1.00 0.00 N ATOM 168 CA ARG A 233 3.655 -2.742 -8.227 1.00 0.00 C ATOM 169 C ARG A 233 3.578 -1.228 -8.057 1.00 0.00 C ATOM 170 O ARG A 233 4.098 -0.473 -8.878 1.00 0.00 O ATOM 171 CB ARG A 233 4.722 -3.095 -9.265 1.00 0.00 C ATOM 172 CG ARG A 233 5.428 -4.413 -8.990 1.00 0.00 C ATOM 173 CD ARG A 233 4.447 -5.575 -8.959 1.00 0.00 C ATOM 174 NE ARG A 233 3.616 -5.558 -7.758 1.00 0.00 N ATOM 175 CZ ARG A 233 4.061 -5.894 -6.552 1.00 0.00 C ATOM 176 NH1 ARG A 233 5.322 -6.269 -6.388 1.00 0.00 N ATOM 177 NH2 ARG A 233 3.244 -5.854 -5.508 1.00 0.00 N ATOM 0 H ARG A 233 2.343 -3.684 -9.563 1.00 0.00 H new ATOM 0 HA ARG A 233 3.928 -3.185 -7.269 1.00 0.00 H new ATOM 0 HB2 ARG A 233 4.257 -3.140 -10.250 1.00 0.00 H new ATOM 0 HB3 ARG A 233 5.463 -2.296 -9.298 1.00 0.00 H new ATOM 0 HG2 ARG A 233 6.180 -4.591 -9.758 1.00 0.00 H new ATOM 0 HG3 ARG A 233 5.953 -4.354 -8.037 1.00 0.00 H new ATOM 0 HD2 ARG A 233 3.809 -5.534 -9.842 1.00 0.00 H new ATOM 0 HD3 ARG A 233 4.997 -6.515 -9.006 1.00 0.00 H new ATOM 0 HE ARG A 233 2.641 -5.273 -7.850 1.00 0.00 H new ATOM 0 HH11 ARG A 233 5.953 -6.300 -7.189 1.00 0.00 H new ATOM 0 HH12 ARG A 233 5.661 -6.526 -5.461 1.00 0.00 H new ATOM 0 HH21 ARG A 233 2.273 -5.565 -5.631 1.00 0.00 H new ATOM 0 HH22 ARG A 233 3.586 -6.112 -4.582 1.00 0.00 H new ATOM 191 N PHE A 234 2.925 -0.791 -6.985 1.00 0.00 N ATOM 192 CA PHE A 234 2.777 0.633 -6.707 1.00 0.00 C ATOM 193 C PHE A 234 4.061 1.207 -6.114 1.00 0.00 C ATOM 194 O PHE A 234 4.461 0.849 -5.006 1.00 0.00 O ATOM 195 CB PHE A 234 1.609 0.869 -5.748 1.00 0.00 C ATOM 196 CG PHE A 234 0.263 0.639 -6.375 1.00 0.00 C ATOM 197 CD1 PHE A 234 -0.064 1.234 -7.583 1.00 0.00 C ATOM 198 CD2 PHE A 234 -0.674 -0.172 -5.756 1.00 0.00 C ATOM 199 CE1 PHE A 234 -1.302 1.024 -8.161 1.00 0.00 C ATOM 200 CE2 PHE A 234 -1.914 -0.385 -6.330 1.00 0.00 C ATOM 201 CZ PHE A 234 -2.227 0.213 -7.534 1.00 0.00 C ATOM 0 H PHE A 234 2.490 -1.403 -6.294 1.00 0.00 H new ATOM 0 HA PHE A 234 2.573 1.142 -7.649 1.00 0.00 H new ATOM 0 HB2 PHE A 234 1.717 0.210 -4.887 1.00 0.00 H new ATOM 0 HB3 PHE A 234 1.657 1.892 -5.374 1.00 0.00 H new ATOM 0 HD1 PHE A 234 0.656 1.869 -8.078 1.00 0.00 H new ATOM 0 HD2 PHE A 234 -0.433 -0.643 -4.814 1.00 0.00 H new ATOM 0 HE1 PHE A 234 -1.546 1.494 -9.102 1.00 0.00 H new ATOM 0 HE2 PHE A 234 -2.637 -1.018 -5.837 1.00 0.00 H new ATOM 0 HZ PHE A 234 -3.194 0.047 -7.985 1.00 0.00 H new ATOM 211 N LYS A 235 4.703 2.099 -6.860 1.00 0.00 N ATOM 212 CA LYS A 235 5.941 2.725 -6.410 1.00 0.00 C ATOM 213 C LYS A 235 5.875 4.240 -6.572 1.00 0.00 C ATOM 214 O LYS A 235 5.487 4.746 -7.625 1.00 0.00 O ATOM 215 CB LYS A 235 7.131 2.169 -7.195 1.00 0.00 C ATOM 216 CG LYS A 235 7.699 0.887 -6.612 1.00 0.00 C ATOM 217 CD LYS A 235 6.960 -0.336 -7.130 1.00 0.00 C ATOM 218 CE LYS A 235 7.376 -1.596 -6.386 1.00 0.00 C ATOM 219 NZ LYS A 235 8.791 -1.965 -6.670 1.00 0.00 N ATOM 0 H LYS A 235 4.386 2.405 -7.780 1.00 0.00 H new ATOM 0 HA LYS A 235 6.071 2.496 -5.352 1.00 0.00 H new ATOM 0 HB2 LYS A 235 6.822 1.985 -8.224 1.00 0.00 H new ATOM 0 HB3 LYS A 235 7.918 2.923 -7.228 1.00 0.00 H new ATOM 0 HG2 LYS A 235 8.756 0.808 -6.865 1.00 0.00 H new ATOM 0 HG3 LYS A 235 7.633 0.920 -5.525 1.00 0.00 H new ATOM 0 HD2 LYS A 235 5.886 -0.186 -7.022 1.00 0.00 H new ATOM 0 HD3 LYS A 235 7.159 -0.459 -8.195 1.00 0.00 H new ATOM 0 HE2 LYS A 235 7.248 -1.444 -5.314 1.00 0.00 H new ATOM 0 HE3 LYS A 235 6.721 -2.419 -6.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 235 9.032 -2.838 -6.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 235 8.911 -2.118 -7.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 235 9.419 -1.197 -6.359 1.00 0.00 H new ATOM 233 N VAL A 236 6.257 4.960 -5.522 1.00 0.00 N ATOM 234 CA VAL A 236 6.243 6.418 -5.548 1.00 0.00 C ATOM 235 C VAL A 236 7.010 6.953 -6.753 1.00 0.00 C ATOM 236 O VAL A 236 8.076 6.444 -7.099 1.00 0.00 O ATOM 237 CB VAL A 236 6.853 7.008 -4.262 1.00 0.00 C ATOM 238 CG1 VAL A 236 6.980 8.520 -4.377 1.00 0.00 C ATOM 239 CG2 VAL A 236 6.014 6.626 -3.052 1.00 0.00 C ATOM 0 H VAL A 236 6.580 4.557 -4.642 1.00 0.00 H new ATOM 0 HA VAL A 236 5.199 6.724 -5.620 1.00 0.00 H new ATOM 0 HB VAL A 236 7.852 6.592 -4.129 1.00 0.00 H new ATOM 0 HG11 VAL A 236 7.413 8.920 -3.460 1.00 0.00 H new ATOM 0 HG12 VAL A 236 7.625 8.768 -5.220 1.00 0.00 H new ATOM 0 HG13 VAL A 236 5.994 8.957 -4.533 1.00 0.00 H new ATOM 0 HG21 VAL A 236 6.459 7.051 -2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 236 5.002 7.013 -3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 236 5.979 5.540 -2.962 1.00 0.00 H new ATOM 249 N TYR A 237 6.460 7.982 -7.387 1.00 0.00 N ATOM 250 CA TYR A 237 7.091 8.585 -8.555 1.00 0.00 C ATOM 251 C TYR A 237 6.827 10.087 -8.601 1.00 0.00 C ATOM 252 O TYR A 237 5.834 10.571 -8.060 1.00 0.00 O ATOM 253 CB TYR A 237 6.577 7.926 -9.836 1.00 0.00 C ATOM 254 CG TYR A 237 7.445 8.194 -11.045 1.00 0.00 C ATOM 255 CD1 TYR A 237 7.271 9.342 -11.808 1.00 0.00 C ATOM 256 CD2 TYR A 237 8.439 7.300 -11.423 1.00 0.00 C ATOM 257 CE1 TYR A 237 8.061 9.591 -12.914 1.00 0.00 C ATOM 258 CE2 TYR A 237 9.235 7.541 -12.526 1.00 0.00 C ATOM 259 CZ TYR A 237 9.041 8.688 -13.269 1.00 0.00 C ATOM 260 OH TYR A 237 9.831 8.932 -14.369 1.00 0.00 O ATOM 0 H TYR A 237 5.579 8.416 -7.112 1.00 0.00 H new ATOM 0 HA TYR A 237 8.167 8.425 -8.479 1.00 0.00 H new ATOM 0 HB2 TYR A 237 6.510 6.849 -9.679 1.00 0.00 H new ATOM 0 HB3 TYR A 237 5.567 8.283 -10.038 1.00 0.00 H new ATOM 0 HD1 TYR A 237 6.505 10.052 -11.532 1.00 0.00 H new ATOM 0 HD2 TYR A 237 8.592 6.401 -10.844 1.00 0.00 H new ATOM 0 HE1 TYR A 237 7.912 10.488 -13.497 1.00 0.00 H new ATOM 0 HE2 TYR A 237 10.004 6.836 -12.805 1.00 0.00 H new ATOM 0 HH TYR A 237 10.472 8.199 -14.480 1.00 0.00 H new ATOM 270 N ASN A 238 7.725 10.819 -9.253 1.00 0.00 N ATOM 271 CA ASN A 238 7.590 12.267 -9.371 1.00 0.00 C ATOM 272 C ASN A 238 7.018 12.650 -10.733 1.00 0.00 C ATOM 273 O ASN A 238 7.712 12.591 -11.748 1.00 0.00 O ATOM 274 CB ASN A 238 8.947 12.944 -9.166 1.00 0.00 C ATOM 275 CG ASN A 238 9.976 12.498 -10.187 1.00 0.00 C ATOM 276 OD1 ASN A 238 10.493 11.383 -10.117 1.00 0.00 O ATOM 277 ND2 ASN A 238 10.279 13.370 -11.141 1.00 0.00 N ATOM 0 H ASN A 238 8.553 10.434 -9.707 1.00 0.00 H new ATOM 0 HA ASN A 238 6.901 12.608 -8.598 1.00 0.00 H new ATOM 0 HB2 ASN A 238 8.823 14.025 -9.227 1.00 0.00 H new ATOM 0 HB3 ASN A 238 9.313 12.721 -8.164 1.00 0.00 H new ATOM 0 HD21 ASN A 238 10.965 13.127 -11.855 1.00 0.00 H new ATOM 0 HD22 ASN A 238 9.825 14.283 -11.160 1.00 0.00 H new ATOM 284 N TYR A 239 5.750 13.044 -10.746 1.00 0.00 N ATOM 285 CA TYR A 239 5.083 13.436 -11.982 1.00 0.00 C ATOM 286 C TYR A 239 5.234 14.933 -12.231 1.00 0.00 C ATOM 287 O TYR A 239 5.100 15.744 -11.314 1.00 0.00 O ATOM 288 CB TYR A 239 3.601 13.063 -11.927 1.00 0.00 C ATOM 289 CG TYR A 239 3.325 11.624 -12.301 1.00 0.00 C ATOM 290 CD1 TYR A 239 3.120 11.256 -13.625 1.00 0.00 C ATOM 291 CD2 TYR A 239 3.269 10.632 -11.329 1.00 0.00 C ATOM 292 CE1 TYR A 239 2.867 9.943 -13.970 1.00 0.00 C ATOM 293 CE2 TYR A 239 3.018 9.316 -11.665 1.00 0.00 C ATOM 294 CZ TYR A 239 2.816 8.976 -12.987 1.00 0.00 C ATOM 295 OH TYR A 239 2.566 7.667 -13.327 1.00 0.00 O ATOM 0 H TYR A 239 5.163 13.101 -9.914 1.00 0.00 H new ATOM 0 HA TYR A 239 5.555 12.900 -12.806 1.00 0.00 H new ATOM 0 HB2 TYR A 239 3.226 13.246 -10.920 1.00 0.00 H new ATOM 0 HB3 TYR A 239 3.045 13.717 -12.598 1.00 0.00 H new ATOM 0 HD1 TYR A 239 3.159 12.010 -14.398 1.00 0.00 H new ATOM 0 HD2 TYR A 239 3.424 10.895 -10.293 1.00 0.00 H new ATOM 0 HE1 TYR A 239 2.710 9.674 -15.004 1.00 0.00 H new ATOM 0 HE2 TYR A 239 2.980 8.557 -10.897 1.00 0.00 H new ATOM 0 HH TYR A 239 3.378 7.134 -13.196 1.00 0.00 H new ATOM 305 N LYS A 240 5.512 15.294 -13.479 1.00 0.00 N ATOM 306 CA LYS A 240 5.679 16.694 -13.852 1.00 0.00 C ATOM 307 C LYS A 240 4.380 17.267 -14.409 1.00 0.00 C ATOM 308 O LYS A 240 4.397 18.170 -15.245 1.00 0.00 O ATOM 309 CB LYS A 240 6.797 16.836 -14.888 1.00 0.00 C ATOM 310 CG LYS A 240 8.191 16.679 -14.304 1.00 0.00 C ATOM 311 CD LYS A 240 8.701 17.985 -13.719 1.00 0.00 C ATOM 312 CE LYS A 240 9.732 17.741 -12.627 1.00 0.00 C ATOM 313 NZ LYS A 240 11.084 17.475 -13.191 1.00 0.00 N ATOM 0 H LYS A 240 5.627 14.636 -14.250 1.00 0.00 H new ATOM 0 HA LYS A 240 5.948 17.254 -12.956 1.00 0.00 H new ATOM 0 HB2 LYS A 240 6.653 16.090 -15.670 1.00 0.00 H new ATOM 0 HB3 LYS A 240 6.719 17.814 -15.363 1.00 0.00 H new ATOM 0 HG2 LYS A 240 8.177 15.913 -13.529 1.00 0.00 H new ATOM 0 HG3 LYS A 240 8.875 16.335 -15.080 1.00 0.00 H new ATOM 0 HD2 LYS A 240 9.143 18.591 -14.510 1.00 0.00 H new ATOM 0 HD3 LYS A 240 7.865 18.553 -13.311 1.00 0.00 H new ATOM 0 HE2 LYS A 240 9.777 18.609 -11.969 1.00 0.00 H new ATOM 0 HE3 LYS A 240 9.420 16.894 -12.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 11.758 17.314 -12.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 11.047 16.632 -13.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 11.393 18.293 -13.753 1.00 0.00 H new ATOM 327 N SER A 241 3.255 16.737 -13.938 1.00 0.00 N ATOM 328 CA SER A 241 1.947 17.195 -14.391 1.00 0.00 C ATOM 329 C SER A 241 0.836 16.601 -13.531 1.00 0.00 C ATOM 330 O SER A 241 0.958 15.503 -12.986 1.00 0.00 O ATOM 331 CB SER A 241 1.730 16.817 -15.857 1.00 0.00 C ATOM 332 OG SER A 241 1.288 15.476 -15.979 1.00 0.00 O ATOM 0 H SER A 241 3.224 15.991 -13.243 1.00 0.00 H new ATOM 0 HA SER A 241 1.916 18.280 -14.295 1.00 0.00 H new ATOM 0 HB2 SER A 241 0.995 17.487 -16.303 1.00 0.00 H new ATOM 0 HB3 SER A 241 2.660 16.948 -16.411 1.00 0.00 H new ATOM 0 HG SER A 241 1.155 15.260 -16.926 1.00 0.00 H new ATOM 338 N PRO A 242 -0.275 17.341 -13.406 1.00 0.00 N ATOM 339 CA PRO A 242 -1.431 16.908 -12.614 1.00 0.00 C ATOM 340 C PRO A 242 -2.166 15.737 -13.256 1.00 0.00 C ATOM 341 O PRO A 242 -2.951 15.917 -14.187 1.00 0.00 O ATOM 342 CB PRO A 242 -2.325 18.150 -12.584 1.00 0.00 C ATOM 343 CG PRO A 242 -1.955 18.913 -13.809 1.00 0.00 C ATOM 344 CD PRO A 242 -0.489 18.659 -14.028 1.00 0.00 C ATOM 0 HA PRO A 242 -1.139 16.553 -11.626 1.00 0.00 H new ATOM 0 HB2 PRO A 242 -3.381 17.878 -12.591 1.00 0.00 H new ATOM 0 HB3 PRO A 242 -2.153 18.740 -11.683 1.00 0.00 H new ATOM 0 HG2 PRO A 242 -2.541 18.582 -14.667 1.00 0.00 H new ATOM 0 HG3 PRO A 242 -2.152 19.977 -13.680 1.00 0.00 H new ATOM 0 HD2 PRO A 242 -0.237 18.649 -15.088 1.00 0.00 H new ATOM 0 HD3 PRO A 242 0.126 19.428 -13.561 1.00 0.00 H new ATOM 352 N THR A 243 -1.908 14.534 -12.751 1.00 0.00 N ATOM 353 CA THR A 243 -2.545 13.333 -13.275 1.00 0.00 C ATOM 354 C THR A 243 -3.803 12.989 -12.486 1.00 0.00 C ATOM 355 O THR A 243 -3.896 13.273 -11.292 1.00 0.00 O ATOM 356 CB THR A 243 -1.586 12.128 -13.241 1.00 0.00 C ATOM 357 OG1 THR A 243 -0.295 12.516 -13.722 1.00 0.00 O ATOM 358 CG2 THR A 243 -2.125 10.983 -14.086 1.00 0.00 C ATOM 0 H THR A 243 -1.262 14.366 -11.980 1.00 0.00 H new ATOM 0 HA THR A 243 -2.815 13.544 -14.310 1.00 0.00 H new ATOM 0 HB THR A 243 -1.501 11.788 -12.209 1.00 0.00 H new ATOM 0 HG1 THR A 243 0.309 11.745 -13.696 1.00 0.00 H new ATOM 0 HG21 THR A 243 -1.431 10.144 -14.047 1.00 0.00 H new ATOM 0 HG22 THR A 243 -3.095 10.670 -13.699 1.00 0.00 H new ATOM 0 HG23 THR A 243 -2.236 11.314 -15.119 1.00 0.00 H new ATOM 366 N PHE A 244 -4.770 12.374 -13.160 1.00 0.00 N ATOM 367 CA PHE A 244 -6.023 11.991 -12.522 1.00 0.00 C ATOM 368 C PHE A 244 -5.973 10.541 -12.050 1.00 0.00 C ATOM 369 O PHE A 244 -5.345 9.692 -12.683 1.00 0.00 O ATOM 370 CB PHE A 244 -7.193 12.185 -13.489 1.00 0.00 C ATOM 371 CG PHE A 244 -7.639 13.614 -13.613 1.00 0.00 C ATOM 372 CD1 PHE A 244 -7.018 14.472 -14.506 1.00 0.00 C ATOM 373 CD2 PHE A 244 -8.679 14.098 -12.836 1.00 0.00 C ATOM 374 CE1 PHE A 244 -7.426 15.787 -14.621 1.00 0.00 C ATOM 375 CE2 PHE A 244 -9.091 15.413 -12.947 1.00 0.00 C ATOM 376 CZ PHE A 244 -8.465 16.258 -13.841 1.00 0.00 C ATOM 0 H PHE A 244 -4.709 12.130 -14.149 1.00 0.00 H new ATOM 0 HA PHE A 244 -6.169 12.632 -11.653 1.00 0.00 H new ATOM 0 HB2 PHE A 244 -6.905 11.816 -14.473 1.00 0.00 H new ATOM 0 HB3 PHE A 244 -8.034 11.578 -13.155 1.00 0.00 H new ATOM 0 HD1 PHE A 244 -6.206 14.109 -15.119 1.00 0.00 H new ATOM 0 HD2 PHE A 244 -9.173 13.441 -12.136 1.00 0.00 H new ATOM 0 HE1 PHE A 244 -6.933 16.446 -15.320 1.00 0.00 H new ATOM 0 HE2 PHE A 244 -9.902 15.779 -12.335 1.00 0.00 H new ATOM 0 HZ PHE A 244 -8.786 17.285 -13.931 1.00 0.00 H new ATOM 386 N CYS A 245 -6.638 10.264 -10.934 1.00 0.00 N ATOM 387 CA CYS A 245 -6.670 8.918 -10.375 1.00 0.00 C ATOM 388 C CYS A 245 -7.531 7.994 -11.231 1.00 0.00 C ATOM 389 O CYS A 245 -8.661 8.332 -11.582 1.00 0.00 O ATOM 390 CB CYS A 245 -7.206 8.950 -8.942 1.00 0.00 C ATOM 391 SG CYS A 245 -6.812 7.462 -7.968 1.00 0.00 S ATOM 0 H CYS A 245 -7.163 10.955 -10.398 1.00 0.00 H new ATOM 0 HA CYS A 245 -5.651 8.531 -10.366 1.00 0.00 H new ATOM 0 HB2 CYS A 245 -6.799 9.823 -8.432 1.00 0.00 H new ATOM 0 HB3 CYS A 245 -8.288 9.075 -8.973 1.00 0.00 H new ATOM 0 HG CYS A 245 -6.627 6.455 -8.769 1.00 0.00 H new ATOM 396 N GLU A 246 -6.988 6.827 -11.563 1.00 0.00 N ATOM 397 CA GLU A 246 -7.706 5.855 -12.378 1.00 0.00 C ATOM 398 C GLU A 246 -8.646 5.014 -11.520 1.00 0.00 C ATOM 399 O GLU A 246 -9.235 4.042 -11.994 1.00 0.00 O ATOM 400 CB GLU A 246 -6.720 4.946 -13.115 1.00 0.00 C ATOM 401 CG GLU A 246 -6.191 5.544 -14.408 1.00 0.00 C ATOM 402 CD GLU A 246 -5.836 7.012 -14.269 1.00 0.00 C ATOM 403 OE1 GLU A 246 -6.765 7.845 -14.221 1.00 0.00 O ATOM 404 OE2 GLU A 246 -4.629 7.327 -14.210 1.00 0.00 O ATOM 0 H GLU A 246 -6.053 6.532 -11.280 1.00 0.00 H new ATOM 0 HA GLU A 246 -8.301 6.402 -13.109 1.00 0.00 H new ATOM 0 HB2 GLU A 246 -5.880 4.725 -12.456 1.00 0.00 H new ATOM 0 HB3 GLU A 246 -7.209 3.997 -13.337 1.00 0.00 H new ATOM 0 HG2 GLU A 246 -5.308 4.989 -14.726 1.00 0.00 H new ATOM 0 HG3 GLU A 246 -6.940 5.428 -15.191 1.00 0.00 H new ATOM 411 N HIS A 247 -8.781 5.394 -10.253 1.00 0.00 N ATOM 412 CA HIS A 247 -9.649 4.676 -9.327 1.00 0.00 C ATOM 413 C HIS A 247 -10.790 5.568 -8.848 1.00 0.00 C ATOM 414 O HIS A 247 -11.950 5.357 -9.205 1.00 0.00 O ATOM 415 CB HIS A 247 -8.845 4.169 -8.130 1.00 0.00 C ATOM 416 CG HIS A 247 -9.681 3.485 -7.093 1.00 0.00 C ATOM 417 ND1 HIS A 247 -9.884 2.121 -7.069 1.00 0.00 N ATOM 418 CD2 HIS A 247 -10.367 3.984 -6.038 1.00 0.00 C ATOM 419 CE1 HIS A 247 -10.660 1.811 -6.046 1.00 0.00 C ATOM 420 NE2 HIS A 247 -10.967 2.924 -5.403 1.00 0.00 N ATOM 0 H HIS A 247 -8.300 6.195 -9.844 1.00 0.00 H new ATOM 0 HA HIS A 247 -10.076 3.824 -9.855 1.00 0.00 H new ATOM 0 HB2 HIS A 247 -8.081 3.477 -8.483 1.00 0.00 H new ATOM 0 HB3 HIS A 247 -8.326 5.009 -7.670 1.00 0.00 H new ATOM 0 HD1 HIS A 247 -9.495 1.455 -7.737 1.00 0.00 H new ATOM 0 HD2 HIS A 247 -10.431 5.023 -5.749 1.00 0.00 H new ATOM 0 HE1 HIS A 247 -10.988 0.817 -5.780 1.00 0.00 H new ATOM 428 N CYS A 248 -10.454 6.566 -8.038 1.00 0.00 N ATOM 429 CA CYS A 248 -11.449 7.491 -7.509 1.00 0.00 C ATOM 430 C CYS A 248 -11.809 8.553 -8.543 1.00 0.00 C ATOM 431 O CYS A 248 -12.910 9.103 -8.527 1.00 0.00 O ATOM 432 CB CYS A 248 -10.929 8.159 -6.235 1.00 0.00 C ATOM 433 SG CYS A 248 -9.584 9.355 -6.519 1.00 0.00 S ATOM 0 H CYS A 248 -9.499 6.755 -7.733 1.00 0.00 H new ATOM 0 HA CYS A 248 -12.348 6.921 -7.272 1.00 0.00 H new ATOM 0 HB2 CYS A 248 -11.756 8.669 -5.741 1.00 0.00 H new ATOM 0 HB3 CYS A 248 -10.576 7.387 -5.551 1.00 0.00 H new ATOM 0 HG CYS A 248 -8.507 8.720 -6.875 1.00 0.00 H new ATOM 438 N GLY A 249 -10.873 8.836 -9.443 1.00 0.00 N ATOM 439 CA GLY A 249 -11.110 9.831 -10.473 1.00 0.00 C ATOM 440 C GLY A 249 -11.072 11.247 -9.931 1.00 0.00 C ATOM 441 O GLY A 249 -11.987 12.036 -10.169 1.00 0.00 O ATOM 0 H GLY A 249 -9.954 8.394 -9.478 1.00 0.00 H new ATOM 0 HA2 GLY A 249 -10.359 9.725 -11.256 1.00 0.00 H new ATOM 0 HA3 GLY A 249 -12.080 9.648 -10.935 1.00 0.00 H new ATOM 445 N THR A 250 -10.011 11.570 -9.198 1.00 0.00 N ATOM 446 CA THR A 250 -9.859 12.899 -8.619 1.00 0.00 C ATOM 447 C THR A 250 -8.423 13.394 -8.748 1.00 0.00 C ATOM 448 O THR A 250 -7.479 12.603 -8.732 1.00 0.00 O ATOM 449 CB THR A 250 -10.263 12.913 -7.132 1.00 0.00 C ATOM 450 OG1 THR A 250 -9.294 12.200 -6.355 1.00 0.00 O ATOM 451 CG2 THR A 250 -11.635 12.286 -6.938 1.00 0.00 C ATOM 0 H THR A 250 -9.245 10.930 -8.991 1.00 0.00 H new ATOM 0 HA THR A 250 -10.521 13.564 -9.174 1.00 0.00 H new ATOM 0 HB THR A 250 -10.304 13.950 -6.799 1.00 0.00 H new ATOM 0 HG1 THR A 250 -9.594 11.276 -6.225 1.00 0.00 H new ATOM 0 HG21 THR A 250 -11.899 12.307 -5.881 1.00 0.00 H new ATOM 0 HG22 THR A 250 -12.375 12.847 -7.508 1.00 0.00 H new ATOM 0 HG23 THR A 250 -11.616 11.253 -7.286 1.00 0.00 H new ATOM 459 N LEU A 251 -8.264 14.706 -8.877 1.00 0.00 N ATOM 460 CA LEU A 251 -6.942 15.308 -9.008 1.00 0.00 C ATOM 461 C LEU A 251 -5.967 14.706 -8.001 1.00 0.00 C ATOM 462 O LEU A 251 -6.370 13.995 -7.080 1.00 0.00 O ATOM 463 CB LEU A 251 -7.027 16.822 -8.811 1.00 0.00 C ATOM 464 CG LEU A 251 -7.392 17.641 -10.050 1.00 0.00 C ATOM 465 CD1 LEU A 251 -7.878 19.026 -9.650 1.00 0.00 C ATOM 466 CD2 LEU A 251 -6.201 17.743 -10.991 1.00 0.00 C ATOM 0 H LEU A 251 -9.035 15.374 -8.894 1.00 0.00 H new ATOM 0 HA LEU A 251 -6.573 15.099 -10.012 1.00 0.00 H new ATOM 0 HB2 LEU A 251 -7.765 17.026 -8.035 1.00 0.00 H new ATOM 0 HB3 LEU A 251 -6.065 17.174 -8.438 1.00 0.00 H new ATOM 0 HG LEU A 251 -8.201 17.132 -10.574 1.00 0.00 H new ATOM 0 HD11 LEU A 251 -8.133 19.594 -10.544 1.00 0.00 H new ATOM 0 HD12 LEU A 251 -8.759 18.933 -9.015 1.00 0.00 H new ATOM 0 HD13 LEU A 251 -7.090 19.544 -9.103 1.00 0.00 H new ATOM 0 HD21 LEU A 251 -6.479 18.329 -11.867 1.00 0.00 H new ATOM 0 HD22 LEU A 251 -5.372 18.229 -10.477 1.00 0.00 H new ATOM 0 HD23 LEU A 251 -5.898 16.744 -11.304 1.00 0.00 H new ATOM 478 N LEU A 252 -4.684 14.998 -8.181 1.00 0.00 N ATOM 479 CA LEU A 252 -3.651 14.488 -7.286 1.00 0.00 C ATOM 480 C LEU A 252 -3.094 15.602 -6.405 1.00 0.00 C ATOM 481 O LEU A 252 -3.494 16.760 -6.526 1.00 0.00 O ATOM 482 CB LEU A 252 -2.520 13.847 -8.093 1.00 0.00 C ATOM 483 CG LEU A 252 -2.742 12.398 -8.526 1.00 0.00 C ATOM 484 CD1 LEU A 252 -1.843 12.048 -9.702 1.00 0.00 C ATOM 485 CD2 LEU A 252 -2.493 11.450 -7.362 1.00 0.00 C ATOM 0 H LEU A 252 -4.334 15.585 -8.938 1.00 0.00 H new ATOM 0 HA LEU A 252 -4.103 13.733 -6.643 1.00 0.00 H new ATOM 0 HB2 LEU A 252 -2.351 14.450 -8.985 1.00 0.00 H new ATOM 0 HB3 LEU A 252 -1.607 13.892 -7.500 1.00 0.00 H new ATOM 0 HG LEU A 252 -3.779 12.289 -8.843 1.00 0.00 H new ATOM 0 HD11 LEU A 252 -2.015 11.013 -9.996 1.00 0.00 H new ATOM 0 HD12 LEU A 252 -2.069 12.706 -10.541 1.00 0.00 H new ATOM 0 HD13 LEU A 252 -0.800 12.174 -9.413 1.00 0.00 H new ATOM 0 HD21 LEU A 252 -2.656 10.423 -7.688 1.00 0.00 H new ATOM 0 HD22 LEU A 252 -1.466 11.562 -7.015 1.00 0.00 H new ATOM 0 HD23 LEU A 252 -3.179 11.685 -6.548 1.00 0.00 H new ATOM 497 N TRP A 253 -2.170 15.244 -5.522 1.00 0.00 N ATOM 498 CA TRP A 253 -1.557 16.215 -4.622 1.00 0.00 C ATOM 499 C TRP A 253 -0.346 15.613 -3.916 1.00 0.00 C ATOM 500 O TRP A 253 -0.427 14.530 -3.339 1.00 0.00 O ATOM 501 CB TRP A 253 -2.576 16.699 -3.590 1.00 0.00 C ATOM 502 CG TRP A 253 -2.107 17.885 -2.803 1.00 0.00 C ATOM 503 CD1 TRP A 253 -1.172 17.890 -1.807 1.00 0.00 C ATOM 504 CD2 TRP A 253 -2.552 19.238 -2.944 1.00 0.00 C ATOM 505 NE1 TRP A 253 -1.009 19.165 -1.321 1.00 0.00 N ATOM 506 CE2 TRP A 253 -1.843 20.011 -2.003 1.00 0.00 C ATOM 507 CE3 TRP A 253 -3.478 19.874 -3.776 1.00 0.00 C ATOM 508 CZ2 TRP A 253 -2.035 21.383 -1.872 1.00 0.00 C ATOM 509 CZ3 TRP A 253 -3.667 21.236 -3.645 1.00 0.00 C ATOM 510 CH2 TRP A 253 -2.948 21.979 -2.699 1.00 0.00 C ATOM 0 H TRP A 253 -1.828 14.290 -5.409 1.00 0.00 H new ATOM 0 HA TRP A 253 -1.222 17.065 -5.217 1.00 0.00 H new ATOM 0 HB2 TRP A 253 -3.505 16.954 -4.100 1.00 0.00 H new ATOM 0 HB3 TRP A 253 -2.803 15.883 -2.904 1.00 0.00 H new ATOM 0 HD1 TRP A 253 -0.639 17.020 -1.453 1.00 0.00 H new ATOM 0 HE1 TRP A 253 -0.371 19.437 -0.574 1.00 0.00 H new ATOM 0 HE3 TRP A 253 -4.036 19.310 -4.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 253 -1.483 21.957 -1.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 253 -4.381 21.737 -4.282 1.00 0.00 H new ATOM 0 HH2 TRP A 253 -3.118 23.043 -2.621 1.00 0.00 H new ATOM 521 N GLY A 254 0.776 16.325 -3.965 1.00 0.00 N ATOM 522 CA GLY A 254 1.987 15.844 -3.325 1.00 0.00 C ATOM 523 C GLY A 254 3.236 16.489 -3.891 1.00 0.00 C ATOM 524 O GLY A 254 3.418 16.546 -5.108 1.00 0.00 O ATOM 0 H GLY A 254 0.868 17.225 -4.436 1.00 0.00 H new ATOM 0 HA2 GLY A 254 1.932 16.043 -2.255 1.00 0.00 H new ATOM 0 HA3 GLY A 254 2.053 14.763 -3.446 1.00 0.00 H new ATOM 528 N LEU A 255 4.100 16.978 -3.008 1.00 0.00 N ATOM 529 CA LEU A 255 5.339 17.624 -3.427 1.00 0.00 C ATOM 530 C LEU A 255 6.123 16.731 -4.384 1.00 0.00 C ATOM 531 O LEU A 255 6.265 17.045 -5.565 1.00 0.00 O ATOM 532 CB LEU A 255 6.199 17.961 -2.207 1.00 0.00 C ATOM 533 CG LEU A 255 7.385 18.893 -2.458 1.00 0.00 C ATOM 534 CD1 LEU A 255 8.617 18.095 -2.853 1.00 0.00 C ATOM 535 CD2 LEU A 255 7.042 19.914 -3.534 1.00 0.00 C ATOM 0 H LEU A 255 3.965 16.939 -1.998 1.00 0.00 H new ATOM 0 HA LEU A 255 5.081 18.546 -3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 255 5.559 18.416 -1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 255 6.577 17.030 -1.786 1.00 0.00 H new ATOM 0 HG LEU A 255 7.604 19.427 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 255 9.451 18.775 -3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 255 8.875 17.403 -2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 255 8.410 17.533 -3.764 1.00 0.00 H new ATOM 0 HD21 LEU A 255 7.897 20.569 -3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 255 6.796 19.397 -4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 255 6.187 20.508 -3.212 1.00 0.00 H new ATOM 547 N ALA A 256 6.626 15.616 -3.866 1.00 0.00 N ATOM 548 CA ALA A 256 7.391 14.675 -4.676 1.00 0.00 C ATOM 549 C ALA A 256 6.649 13.352 -4.829 1.00 0.00 C ATOM 550 O ALA A 256 6.741 12.694 -5.865 1.00 0.00 O ATOM 551 CB ALA A 256 8.764 14.444 -4.061 1.00 0.00 C ATOM 0 H ALA A 256 6.518 15.342 -2.890 1.00 0.00 H new ATOM 0 HA ALA A 256 7.517 15.107 -5.669 1.00 0.00 H new ATOM 0 HB1 ALA A 256 9.324 13.740 -4.676 1.00 0.00 H new ATOM 0 HB2 ALA A 256 9.303 15.390 -4.010 1.00 0.00 H new ATOM 0 HB3 ALA A 256 8.649 14.037 -3.056 1.00 0.00 H new ATOM 557 N ARG A 257 5.913 12.968 -3.791 1.00 0.00 N ATOM 558 CA ARG A 257 5.156 11.723 -3.810 1.00 0.00 C ATOM 559 C ARG A 257 3.795 11.923 -4.471 1.00 0.00 C ATOM 560 O ARG A 257 2.759 11.858 -3.811 1.00 0.00 O ATOM 561 CB ARG A 257 4.970 11.192 -2.387 1.00 0.00 C ATOM 562 CG ARG A 257 6.273 11.030 -1.623 1.00 0.00 C ATOM 563 CD ARG A 257 6.127 10.042 -0.476 1.00 0.00 C ATOM 564 NE ARG A 257 7.342 9.955 0.330 1.00 0.00 N ATOM 565 CZ ARG A 257 7.639 10.807 1.306 1.00 0.00 C ATOM 566 NH1 ARG A 257 6.813 11.803 1.595 1.00 0.00 N ATOM 567 NH2 ARG A 257 8.763 10.662 1.995 1.00 0.00 N ATOM 0 H ARG A 257 5.825 13.502 -2.926 1.00 0.00 H new ATOM 0 HA ARG A 257 5.720 10.994 -4.392 1.00 0.00 H new ATOM 0 HB2 ARG A 257 4.318 11.871 -1.837 1.00 0.00 H new ATOM 0 HB3 ARG A 257 4.462 10.228 -2.431 1.00 0.00 H new ATOM 0 HG2 ARG A 257 7.054 10.688 -2.302 1.00 0.00 H new ATOM 0 HG3 ARG A 257 6.590 11.997 -1.233 1.00 0.00 H new ATOM 0 HD2 ARG A 257 5.293 10.343 0.158 1.00 0.00 H new ATOM 0 HD3 ARG A 257 5.885 9.057 -0.875 1.00 0.00 H new ATOM 0 HE ARG A 257 7.998 9.199 0.133 1.00 0.00 H new ATOM 0 HH11 ARG A 257 5.947 11.917 1.068 1.00 0.00 H new ATOM 0 HH12 ARG A 257 7.043 12.455 2.344 1.00 0.00 H new ATOM 0 HH21 ARG A 257 9.400 9.896 1.776 1.00 0.00 H new ATOM 0 HH22 ARG A 257 8.990 11.316 2.744 1.00 0.00 H new ATOM 581 N GLN A 258 3.808 12.168 -5.778 1.00 0.00 N ATOM 582 CA GLN A 258 2.575 12.379 -6.527 1.00 0.00 C ATOM 583 C GLN A 258 1.824 11.066 -6.721 1.00 0.00 C ATOM 584 O GLN A 258 1.874 10.464 -7.793 1.00 0.00 O ATOM 585 CB GLN A 258 2.882 13.011 -7.886 1.00 0.00 C ATOM 586 CG GLN A 258 2.988 14.527 -7.842 1.00 0.00 C ATOM 587 CD GLN A 258 1.649 15.211 -8.037 1.00 0.00 C ATOM 588 OE1 GLN A 258 0.979 15.013 -9.051 1.00 0.00 O ATOM 589 NE2 GLN A 258 1.251 16.022 -7.063 1.00 0.00 N ATOM 0 H GLN A 258 4.658 12.225 -6.339 1.00 0.00 H new ATOM 0 HA GLN A 258 1.942 13.056 -5.954 1.00 0.00 H new ATOM 0 HB2 GLN A 258 3.818 12.601 -8.265 1.00 0.00 H new ATOM 0 HB3 GLN A 258 2.101 12.730 -8.593 1.00 0.00 H new ATOM 0 HG2 GLN A 258 3.411 14.830 -6.884 1.00 0.00 H new ATOM 0 HG3 GLN A 258 3.679 14.862 -8.616 1.00 0.00 H new ATOM 0 HE21 GLN A 258 1.838 16.157 -6.240 1.00 0.00 H new ATOM 0 HE22 GLN A 258 0.358 16.510 -7.138 1.00 0.00 H new ATOM 598 N GLY A 259 1.129 10.627 -5.676 1.00 0.00 N ATOM 599 CA GLY A 259 0.378 9.388 -5.752 1.00 0.00 C ATOM 600 C GLY A 259 1.273 8.177 -5.919 1.00 0.00 C ATOM 601 O GLY A 259 2.405 8.160 -5.432 1.00 0.00 O ATOM 0 H GLY A 259 1.073 11.108 -4.778 1.00 0.00 H new ATOM 0 HA2 GLY A 259 -0.219 9.273 -4.847 1.00 0.00 H new ATOM 0 HA3 GLY A 259 -0.318 9.440 -6.589 1.00 0.00 H new ATOM 605 N LEU A 260 0.768 7.160 -6.608 1.00 0.00 N ATOM 606 CA LEU A 260 1.529 5.937 -6.837 1.00 0.00 C ATOM 607 C LEU A 260 1.150 5.300 -8.170 1.00 0.00 C ATOM 608 O LEU A 260 -0.030 5.127 -8.475 1.00 0.00 O ATOM 609 CB LEU A 260 1.291 4.943 -5.699 1.00 0.00 C ATOM 610 CG LEU A 260 1.421 5.503 -4.282 1.00 0.00 C ATOM 611 CD1 LEU A 260 0.725 4.592 -3.282 1.00 0.00 C ATOM 612 CD2 LEU A 260 2.886 5.683 -3.912 1.00 0.00 C ATOM 0 H LEU A 260 -0.166 7.158 -7.018 1.00 0.00 H new ATOM 0 HA LEU A 260 2.587 6.199 -6.868 1.00 0.00 H new ATOM 0 HB2 LEU A 260 0.291 4.524 -5.812 1.00 0.00 H new ATOM 0 HB3 LEU A 260 1.996 4.119 -5.809 1.00 0.00 H new ATOM 0 HG LEU A 260 0.937 6.479 -4.252 1.00 0.00 H new ATOM 0 HD11 LEU A 260 0.828 5.007 -2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 260 -0.332 4.514 -3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 260 1.180 3.602 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 260 2.959 6.082 -2.900 1.00 0.00 H new ATOM 0 HD22 LEU A 260 3.394 4.720 -3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 260 3.355 6.376 -4.610 1.00 0.00 H new ATOM 624 N LYS A 261 2.159 4.952 -8.962 1.00 0.00 N ATOM 625 CA LYS A 261 1.932 4.331 -10.262 1.00 0.00 C ATOM 626 C LYS A 261 2.438 2.891 -10.273 1.00 0.00 C ATOM 627 O LYS A 261 3.467 2.580 -9.672 1.00 0.00 O ATOM 628 CB LYS A 261 2.628 5.135 -11.362 1.00 0.00 C ATOM 629 CG LYS A 261 2.867 4.343 -12.636 1.00 0.00 C ATOM 630 CD LYS A 261 4.209 3.631 -12.607 1.00 0.00 C ATOM 631 CE LYS A 261 5.359 4.602 -12.826 1.00 0.00 C ATOM 632 NZ LYS A 261 6.603 4.152 -12.143 1.00 0.00 N ATOM 0 H LYS A 261 3.142 5.089 -8.726 1.00 0.00 H new ATOM 0 HA LYS A 261 0.858 4.322 -10.450 1.00 0.00 H new ATOM 0 HB2 LYS A 261 2.024 6.012 -11.597 1.00 0.00 H new ATOM 0 HB3 LYS A 261 3.584 5.498 -10.985 1.00 0.00 H new ATOM 0 HG2 LYS A 261 2.069 3.612 -12.766 1.00 0.00 H new ATOM 0 HG3 LYS A 261 2.828 5.013 -13.495 1.00 0.00 H new ATOM 0 HD2 LYS A 261 4.334 3.127 -11.649 1.00 0.00 H new ATOM 0 HD3 LYS A 261 4.230 2.860 -13.378 1.00 0.00 H new ATOM 0 HE2 LYS A 261 5.548 4.705 -13.894 1.00 0.00 H new ATOM 0 HE3 LYS A 261 5.078 5.588 -12.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 261 7.410 4.709 -12.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 261 6.504 4.287 -11.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 261 6.765 3.145 -12.346 1.00 0.00 H new ATOM 646 N CYS A 262 1.709 2.018 -10.959 1.00 0.00 N ATOM 647 CA CYS A 262 2.083 0.612 -11.050 1.00 0.00 C ATOM 648 C CYS A 262 3.220 0.415 -12.048 1.00 0.00 C ATOM 649 O CYS A 262 3.182 0.942 -13.160 1.00 0.00 O ATOM 650 CB CYS A 262 0.876 -0.233 -11.461 1.00 0.00 C ATOM 651 SG CYS A 262 0.997 -1.986 -10.979 1.00 0.00 S ATOM 0 H CYS A 262 0.855 2.260 -11.461 1.00 0.00 H new ATOM 0 HA CYS A 262 2.426 0.289 -10.067 1.00 0.00 H new ATOM 0 HB2 CYS A 262 -0.022 0.194 -11.015 1.00 0.00 H new ATOM 0 HB3 CYS A 262 0.755 -0.172 -12.543 1.00 0.00 H new ATOM 0 HG CYS A 262 -0.194 -2.503 -10.921 1.00 0.00 H new ATOM 656 N ASP A 263 4.230 -0.346 -11.643 1.00 0.00 N ATOM 657 CA ASP A 263 5.378 -0.615 -12.502 1.00 0.00 C ATOM 658 C ASP A 263 5.186 -1.916 -13.275 1.00 0.00 C ATOM 659 O ASP A 263 6.117 -2.420 -13.902 1.00 0.00 O ATOM 660 CB ASP A 263 6.659 -0.686 -11.669 1.00 0.00 C ATOM 661 CG ASP A 263 7.319 0.668 -11.506 1.00 0.00 C ATOM 662 OD1 ASP A 263 7.357 1.434 -12.492 1.00 0.00 O ATOM 663 OD2 ASP A 263 7.798 0.963 -10.391 1.00 0.00 O ATOM 0 H ASP A 263 4.278 -0.788 -10.725 1.00 0.00 H new ATOM 0 HA ASP A 263 5.464 0.202 -13.218 1.00 0.00 H new ATOM 0 HB2 ASP A 263 6.427 -1.095 -10.685 1.00 0.00 H new ATOM 0 HB3 ASP A 263 7.359 -1.374 -12.143 1.00 0.00 H new ATOM 668 N ALA A 264 3.971 -2.454 -13.225 1.00 0.00 N ATOM 669 CA ALA A 264 3.657 -3.695 -13.921 1.00 0.00 C ATOM 670 C ALA A 264 2.676 -3.451 -15.063 1.00 0.00 C ATOM 671 O ALA A 264 3.044 -3.521 -16.237 1.00 0.00 O ATOM 672 CB ALA A 264 3.091 -4.718 -12.947 1.00 0.00 C ATOM 0 H ALA A 264 3.189 -2.049 -12.710 1.00 0.00 H new ATOM 0 HA ALA A 264 4.581 -4.087 -14.347 1.00 0.00 H new ATOM 0 HB1 ALA A 264 2.861 -5.640 -13.481 1.00 0.00 H new ATOM 0 HB2 ALA A 264 3.825 -4.923 -12.168 1.00 0.00 H new ATOM 0 HB3 ALA A 264 2.181 -4.324 -12.494 1.00 0.00 H new ATOM 678 N CYS A 265 1.427 -3.163 -14.713 1.00 0.00 N ATOM 679 CA CYS A 265 0.393 -2.910 -15.709 1.00 0.00 C ATOM 680 C CYS A 265 0.460 -1.469 -16.209 1.00 0.00 C ATOM 681 O CYS A 265 0.385 -1.214 -17.410 1.00 0.00 O ATOM 682 CB CYS A 265 -0.991 -3.192 -15.120 1.00 0.00 C ATOM 683 SG CYS A 265 -1.427 -2.133 -13.704 1.00 0.00 S ATOM 0 H CYS A 265 1.106 -3.099 -13.747 1.00 0.00 H new ATOM 0 HA CYS A 265 0.565 -3.578 -16.553 1.00 0.00 H new ATOM 0 HB2 CYS A 265 -1.740 -3.062 -15.901 1.00 0.00 H new ATOM 0 HB3 CYS A 265 -1.035 -4.235 -14.807 1.00 0.00 H new ATOM 0 HG CYS A 265 -0.477 -2.180 -12.818 1.00 0.00 H new ATOM 688 N GLY A 266 0.603 -0.531 -15.277 1.00 0.00 N ATOM 689 CA GLY A 266 0.679 0.871 -15.642 1.00 0.00 C ATOM 690 C GLY A 266 -0.564 1.642 -15.243 1.00 0.00 C ATOM 691 O GLY A 266 -1.301 2.129 -16.100 1.00 0.00 O ATOM 0 H GLY A 266 0.667 -0.718 -14.276 1.00 0.00 H new ATOM 0 HA2 GLY A 266 1.550 1.321 -15.166 1.00 0.00 H new ATOM 0 HA3 GLY A 266 0.825 0.956 -16.719 1.00 0.00 H new ATOM 695 N MET A 267 -0.798 1.751 -13.940 1.00 0.00 N ATOM 696 CA MET A 267 -1.961 2.468 -13.430 1.00 0.00 C ATOM 697 C MET A 267 -1.569 3.398 -12.287 1.00 0.00 C ATOM 698 O MET A 267 -0.755 3.042 -11.436 1.00 0.00 O ATOM 699 CB MET A 267 -3.028 1.479 -12.956 1.00 0.00 C ATOM 700 CG MET A 267 -4.441 2.040 -13.004 1.00 0.00 C ATOM 701 SD MET A 267 -5.701 0.751 -12.976 1.00 0.00 S ATOM 702 CE MET A 267 -4.929 -0.454 -11.898 1.00 0.00 C ATOM 0 H MET A 267 -0.198 1.352 -13.218 1.00 0.00 H new ATOM 0 HA MET A 267 -2.369 3.071 -14.241 1.00 0.00 H new ATOM 0 HB2 MET A 267 -2.981 0.582 -13.574 1.00 0.00 H new ATOM 0 HB3 MET A 267 -2.801 1.174 -11.934 1.00 0.00 H new ATOM 0 HG2 MET A 267 -4.591 2.708 -12.156 1.00 0.00 H new ATOM 0 HG3 MET A 267 -4.559 2.639 -13.907 1.00 0.00 H new ATOM 0 HE1 MET A 267 -5.667 -1.197 -11.596 1.00 0.00 H new ATOM 0 HE2 MET A 267 -4.113 -0.946 -12.428 1.00 0.00 H new ATOM 0 HE3 MET A 267 -4.537 0.048 -11.013 1.00 0.00 H new ATOM 712 N ASN A 268 -2.153 4.592 -12.274 1.00 0.00 N ATOM 713 CA ASN A 268 -1.863 5.574 -11.235 1.00 0.00 C ATOM 714 C ASN A 268 -3.026 5.688 -10.255 1.00 0.00 C ATOM 715 O ASN A 268 -4.166 5.931 -10.653 1.00 0.00 O ATOM 716 CB ASN A 268 -1.573 6.939 -11.862 1.00 0.00 C ATOM 717 CG ASN A 268 -0.660 6.840 -13.069 1.00 0.00 C ATOM 718 OD1 ASN A 268 -0.609 5.808 -13.739 1.00 0.00 O ATOM 719 ND2 ASN A 268 0.066 7.915 -13.352 1.00 0.00 N ATOM 0 H ASN A 268 -2.830 4.903 -12.971 1.00 0.00 H new ATOM 0 HA ASN A 268 -0.982 5.239 -10.688 1.00 0.00 H new ATOM 0 HB2 ASN A 268 -2.512 7.406 -12.158 1.00 0.00 H new ATOM 0 HB3 ASN A 268 -1.115 7.588 -11.116 1.00 0.00 H new ATOM 0 HD21 ASN A 268 0.698 7.907 -14.152 1.00 0.00 H new ATOM 0 HD22 ASN A 268 -0.008 8.749 -12.769 1.00 0.00 H new ATOM 726 N VAL A 269 -2.731 5.512 -8.971 1.00 0.00 N ATOM 727 CA VAL A 269 -3.751 5.597 -7.933 1.00 0.00 C ATOM 728 C VAL A 269 -3.190 6.224 -6.661 1.00 0.00 C ATOM 729 O VAL A 269 -2.017 6.044 -6.332 1.00 0.00 O ATOM 730 CB VAL A 269 -4.326 4.208 -7.597 1.00 0.00 C ATOM 731 CG1 VAL A 269 -4.935 3.568 -8.835 1.00 0.00 C ATOM 732 CG2 VAL A 269 -3.249 3.316 -7.000 1.00 0.00 C ATOM 0 H VAL A 269 -1.793 5.310 -8.625 1.00 0.00 H new ATOM 0 HA VAL A 269 -4.549 6.228 -8.324 1.00 0.00 H new ATOM 0 HB VAL A 269 -5.116 4.331 -6.856 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -5.336 2.588 -8.578 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -5.738 4.200 -9.214 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -4.168 3.457 -9.602 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -3.673 2.339 -6.769 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -2.436 3.198 -7.716 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -2.865 3.770 -6.087 1.00 0.00 H new ATOM 742 N HIS A 270 -4.036 6.961 -5.949 1.00 0.00 N ATOM 743 CA HIS A 270 -3.625 7.615 -4.712 1.00 0.00 C ATOM 744 C HIS A 270 -2.958 6.620 -3.767 1.00 0.00 C ATOM 745 O HIS A 270 -2.746 5.460 -4.120 1.00 0.00 O ATOM 746 CB HIS A 270 -4.831 8.258 -4.025 1.00 0.00 C ATOM 747 CG HIS A 270 -5.185 9.606 -4.574 1.00 0.00 C ATOM 748 ND1 HIS A 270 -6.309 9.836 -5.338 1.00 0.00 N ATOM 749 CD2 HIS A 270 -4.556 10.799 -4.464 1.00 0.00 C ATOM 750 CE1 HIS A 270 -6.356 11.112 -5.675 1.00 0.00 C ATOM 751 NE2 HIS A 270 -5.303 11.719 -5.157 1.00 0.00 N ATOM 0 H HIS A 270 -5.010 7.120 -6.207 1.00 0.00 H new ATOM 0 HA HIS A 270 -2.902 8.391 -4.963 1.00 0.00 H new ATOM 0 HB2 HIS A 270 -5.691 7.596 -4.126 1.00 0.00 H new ATOM 0 HB3 HIS A 270 -4.624 8.352 -2.959 1.00 0.00 H new ATOM 0 HD1 HIS A 270 -6.997 9.131 -5.602 1.00 0.00 H new ATOM 0 HD2 HIS A 270 -3.637 10.992 -3.930 1.00 0.00 H new ATOM 0 HE1 HIS A 270 -7.125 11.580 -6.272 1.00 0.00 H new ATOM 759 N HIS A 271 -2.628 7.082 -2.565 1.00 0.00 N ATOM 760 CA HIS A 271 -1.984 6.233 -1.570 1.00 0.00 C ATOM 761 C HIS A 271 -2.976 5.230 -0.988 1.00 0.00 C ATOM 762 O HIS A 271 -2.618 4.090 -0.690 1.00 0.00 O ATOM 763 CB HIS A 271 -1.387 7.086 -0.450 1.00 0.00 C ATOM 764 CG HIS A 271 -0.040 7.651 -0.781 1.00 0.00 C ATOM 765 ND1 HIS A 271 0.359 7.942 -2.068 1.00 0.00 N ATOM 766 CD2 HIS A 271 1.003 7.980 0.018 1.00 0.00 C ATOM 767 CE1 HIS A 271 1.588 8.424 -2.048 1.00 0.00 C ATOM 768 NE2 HIS A 271 2.002 8.458 -0.794 1.00 0.00 N ATOM 0 H HIS A 271 -2.796 8.040 -2.257 1.00 0.00 H new ATOM 0 HA HIS A 271 -1.183 5.682 -2.063 1.00 0.00 H new ATOM 0 HB2 HIS A 271 -2.070 7.905 -0.225 1.00 0.00 H new ATOM 0 HB3 HIS A 271 -1.306 6.481 0.453 1.00 0.00 H new ATOM 0 HD2 HIS A 271 1.042 7.884 1.093 1.00 0.00 H new ATOM 0 HE1 HIS A 271 2.158 8.737 -2.910 1.00 0.00 H new ATOM 0 HE2 HIS A 271 2.915 8.786 -0.480 1.00 0.00 H new ATOM 776 N ARG A 272 -4.222 5.663 -0.828 1.00 0.00 N ATOM 777 CA ARG A 272 -5.265 4.803 -0.280 1.00 0.00 C ATOM 778 C ARG A 272 -6.042 4.111 -1.396 1.00 0.00 C ATOM 779 O ARG A 272 -6.429 2.950 -1.270 1.00 0.00 O ATOM 780 CB ARG A 272 -6.221 5.619 0.592 1.00 0.00 C ATOM 781 CG ARG A 272 -5.773 5.739 2.040 1.00 0.00 C ATOM 782 CD ARG A 272 -4.833 6.918 2.236 1.00 0.00 C ATOM 783 NE ARG A 272 -4.486 7.113 3.641 1.00 0.00 N ATOM 784 CZ ARG A 272 -3.448 7.834 4.048 1.00 0.00 C ATOM 785 NH1 ARG A 272 -2.659 8.425 3.162 1.00 0.00 N ATOM 786 NH2 ARG A 272 -3.197 7.965 5.345 1.00 0.00 N ATOM 0 H ARG A 272 -4.534 6.603 -1.070 1.00 0.00 H new ATOM 0 HA ARG A 272 -4.787 4.039 0.333 1.00 0.00 H new ATOM 0 HB2 ARG A 272 -6.323 6.618 0.168 1.00 0.00 H new ATOM 0 HB3 ARG A 272 -7.208 5.158 0.563 1.00 0.00 H new ATOM 0 HG2 ARG A 272 -6.645 5.857 2.683 1.00 0.00 H new ATOM 0 HG3 ARG A 272 -5.274 4.819 2.345 1.00 0.00 H new ATOM 0 HD2 ARG A 272 -3.924 6.757 1.657 1.00 0.00 H new ATOM 0 HD3 ARG A 272 -5.301 7.823 1.849 1.00 0.00 H new ATOM 0 HE ARG A 272 -5.073 6.671 4.348 1.00 0.00 H new ATOM 0 HH11 ARG A 272 -2.849 8.327 2.165 1.00 0.00 H new ATOM 0 HH12 ARG A 272 -1.862 8.978 3.478 1.00 0.00 H new ATOM 0 HH21 ARG A 272 -3.802 7.512 6.030 1.00 0.00 H new ATOM 0 HH22 ARG A 272 -2.399 8.519 5.657 1.00 0.00 H new ATOM 800 N CYS A 273 -6.266 4.833 -2.489 1.00 0.00 N ATOM 801 CA CYS A 273 -6.997 4.291 -3.628 1.00 0.00 C ATOM 802 C CYS A 273 -6.351 3.000 -4.124 1.00 0.00 C ATOM 803 O CYS A 273 -6.993 2.192 -4.795 1.00 0.00 O ATOM 804 CB CYS A 273 -7.051 5.316 -4.762 1.00 0.00 C ATOM 805 SG CYS A 273 -8.127 6.746 -4.421 1.00 0.00 S ATOM 0 H CYS A 273 -5.951 5.796 -2.610 1.00 0.00 H new ATOM 0 HA CYS A 273 -8.013 4.067 -3.302 1.00 0.00 H new ATOM 0 HB2 CYS A 273 -6.041 5.674 -4.962 1.00 0.00 H new ATOM 0 HB3 CYS A 273 -7.399 4.821 -5.669 1.00 0.00 H new ATOM 0 HG CYS A 273 -8.369 7.381 -5.529 1.00 0.00 H new ATOM 810 N GLN A 274 -5.079 2.815 -3.789 1.00 0.00 N ATOM 811 CA GLN A 274 -4.346 1.624 -4.201 1.00 0.00 C ATOM 812 C GLN A 274 -4.928 0.374 -3.548 1.00 0.00 C ATOM 813 O GLN A 274 -5.052 -0.672 -4.185 1.00 0.00 O ATOM 814 CB GLN A 274 -2.866 1.760 -3.841 1.00 0.00 C ATOM 815 CG GLN A 274 -2.546 1.344 -2.414 1.00 0.00 C ATOM 816 CD GLN A 274 -1.113 1.650 -2.025 1.00 0.00 C ATOM 817 OE1 GLN A 274 -0.841 2.084 -0.905 1.00 0.00 O ATOM 818 NE2 GLN A 274 -0.187 1.424 -2.950 1.00 0.00 N ATOM 0 H GLN A 274 -4.534 3.474 -3.233 1.00 0.00 H new ATOM 0 HA GLN A 274 -4.442 1.525 -5.282 1.00 0.00 H new ATOM 0 HB2 GLN A 274 -2.276 1.153 -4.528 1.00 0.00 H new ATOM 0 HB3 GLN A 274 -2.559 2.796 -3.986 1.00 0.00 H new ATOM 0 HG2 GLN A 274 -3.222 1.857 -1.730 1.00 0.00 H new ATOM 0 HG3 GLN A 274 -2.729 0.275 -2.301 1.00 0.00 H new ATOM 0 HE21 GLN A 274 -0.458 1.064 -3.865 1.00 0.00 H new ATOM 0 HE22 GLN A 274 0.795 1.611 -2.745 1.00 0.00 H new ATOM 827 N THR A 275 -5.283 0.490 -2.271 1.00 0.00 N ATOM 828 CA THR A 275 -5.849 -0.630 -1.531 1.00 0.00 C ATOM 829 C THR A 275 -7.299 -0.878 -1.934 1.00 0.00 C ATOM 830 O THR A 275 -7.930 -1.827 -1.468 1.00 0.00 O ATOM 831 CB THR A 275 -5.785 -0.389 -0.011 1.00 0.00 C ATOM 832 OG1 THR A 275 -6.183 -1.573 0.690 1.00 0.00 O ATOM 833 CG2 THR A 275 -6.683 0.771 0.391 1.00 0.00 C ATOM 0 H THR A 275 -5.188 1.349 -1.729 1.00 0.00 H new ATOM 0 HA THR A 275 -5.250 -1.507 -1.778 1.00 0.00 H new ATOM 0 HB THR A 275 -4.757 -0.140 0.252 1.00 0.00 H new ATOM 0 HG1 THR A 275 -6.903 -2.019 0.197 1.00 0.00 H new ATOM 0 HG21 THR A 275 -6.621 0.922 1.469 1.00 0.00 H new ATOM 0 HG22 THR A 275 -6.359 1.677 -0.122 1.00 0.00 H new ATOM 0 HG23 THR A 275 -7.713 0.546 0.115 1.00 0.00 H new ATOM 841 N LYS A 276 -7.821 -0.021 -2.804 1.00 0.00 N ATOM 842 CA LYS A 276 -9.196 -0.147 -3.272 1.00 0.00 C ATOM 843 C LYS A 276 -9.249 -0.861 -4.619 1.00 0.00 C ATOM 844 O LYS A 276 -10.310 -1.308 -5.055 1.00 0.00 O ATOM 845 CB LYS A 276 -9.846 1.233 -3.389 1.00 0.00 C ATOM 846 CG LYS A 276 -9.972 1.961 -2.061 1.00 0.00 C ATOM 847 CD LYS A 276 -11.083 2.997 -2.096 1.00 0.00 C ATOM 848 CE LYS A 276 -11.428 3.492 -0.699 1.00 0.00 C ATOM 849 NZ LYS A 276 -10.310 4.269 -0.095 1.00 0.00 N ATOM 0 H LYS A 276 -7.312 0.769 -3.200 1.00 0.00 H new ATOM 0 HA LYS A 276 -9.748 -0.741 -2.543 1.00 0.00 H new ATOM 0 HB2 LYS A 276 -9.260 1.845 -4.075 1.00 0.00 H new ATOM 0 HB3 LYS A 276 -10.837 1.122 -3.829 1.00 0.00 H new ATOM 0 HG2 LYS A 276 -10.170 1.240 -1.267 1.00 0.00 H new ATOM 0 HG3 LYS A 276 -9.027 2.448 -1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 276 -10.777 3.839 -2.716 1.00 0.00 H new ATOM 0 HD3 LYS A 276 -11.970 2.565 -2.560 1.00 0.00 H new ATOM 0 HE2 LYS A 276 -12.321 4.116 -0.745 1.00 0.00 H new ATOM 0 HE3 LYS A 276 -11.666 2.641 -0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 276 -10.584 4.589 0.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 276 -9.465 3.666 -0.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 276 -10.100 5.095 -0.691 1.00 0.00 H new ATOM 863 N VAL A 277 -8.097 -0.966 -5.273 1.00 0.00 N ATOM 864 CA VAL A 277 -8.011 -1.628 -6.569 1.00 0.00 C ATOM 865 C VAL A 277 -7.935 -3.143 -6.409 1.00 0.00 C ATOM 866 O VAL A 277 -7.699 -3.650 -5.313 1.00 0.00 O ATOM 867 CB VAL A 277 -6.785 -1.145 -7.366 1.00 0.00 C ATOM 868 CG1 VAL A 277 -7.060 -1.213 -8.861 1.00 0.00 C ATOM 869 CG2 VAL A 277 -6.402 0.267 -6.950 1.00 0.00 C ATOM 0 H VAL A 277 -7.210 -0.601 -4.926 1.00 0.00 H new ATOM 0 HA VAL A 277 -8.917 -1.368 -7.117 1.00 0.00 H new ATOM 0 HB VAL A 277 -5.946 -1.805 -7.144 1.00 0.00 H new ATOM 0 HG11 VAL A 277 -6.183 -0.868 -9.408 1.00 0.00 H new ATOM 0 HG12 VAL A 277 -7.283 -2.242 -9.144 1.00 0.00 H new ATOM 0 HG13 VAL A 277 -7.912 -0.578 -9.103 1.00 0.00 H new ATOM 0 HG21 VAL A 277 -5.534 0.592 -7.523 1.00 0.00 H new ATOM 0 HG22 VAL A 277 -7.237 0.942 -7.141 1.00 0.00 H new ATOM 0 HG23 VAL A 277 -6.161 0.280 -5.887 1.00 0.00 H new ATOM 879 N ALA A 278 -8.135 -3.860 -7.510 1.00 0.00 N ATOM 880 CA ALA A 278 -8.087 -5.316 -7.492 1.00 0.00 C ATOM 881 C ALA A 278 -6.647 -5.818 -7.525 1.00 0.00 C ATOM 882 O ALA A 278 -5.749 -5.123 -7.997 1.00 0.00 O ATOM 883 CB ALA A 278 -8.873 -5.885 -8.664 1.00 0.00 C ATOM 0 H ALA A 278 -8.332 -3.456 -8.426 1.00 0.00 H new ATOM 0 HA ALA A 278 -8.543 -5.658 -6.563 1.00 0.00 H new ATOM 0 HB1 ALA A 278 -8.828 -6.974 -8.638 1.00 0.00 H new ATOM 0 HB2 ALA A 278 -9.912 -5.563 -8.596 1.00 0.00 H new ATOM 0 HB3 ALA A 278 -8.442 -5.527 -9.599 1.00 0.00 H new ATOM 889 N ASN A 279 -6.435 -7.028 -7.019 1.00 0.00 N ATOM 890 CA ASN A 279 -5.104 -7.622 -6.989 1.00 0.00 C ATOM 891 C ASN A 279 -4.820 -8.387 -8.279 1.00 0.00 C ATOM 892 O ASN A 279 -4.142 -9.415 -8.267 1.00 0.00 O ATOM 893 CB ASN A 279 -4.967 -8.559 -5.787 1.00 0.00 C ATOM 894 CG ASN A 279 -5.689 -8.035 -4.561 1.00 0.00 C ATOM 895 OD1 ASN A 279 -5.349 -6.976 -4.032 1.00 0.00 O ATOM 896 ND2 ASN A 279 -6.691 -8.776 -4.102 1.00 0.00 N ATOM 0 H ASN A 279 -7.168 -7.617 -6.624 1.00 0.00 H new ATOM 0 HA ASN A 279 -4.376 -6.816 -6.897 1.00 0.00 H new ATOM 0 HB2 ASN A 279 -5.364 -9.540 -6.047 1.00 0.00 H new ATOM 0 HB3 ASN A 279 -3.911 -8.694 -5.553 1.00 0.00 H new ATOM 0 HD21 ASN A 279 -7.213 -8.474 -3.279 1.00 0.00 H new ATOM 0 HD22 ASN A 279 -6.938 -9.647 -4.572 1.00 0.00 H new ATOM 903 N LEU A 280 -5.343 -7.878 -9.389 1.00 0.00 N ATOM 904 CA LEU A 280 -5.146 -8.512 -10.688 1.00 0.00 C ATOM 905 C LEU A 280 -4.357 -7.602 -11.624 1.00 0.00 C ATOM 906 O LEU A 280 -4.934 -6.818 -12.378 1.00 0.00 O ATOM 907 CB LEU A 280 -6.496 -8.861 -11.316 1.00 0.00 C ATOM 908 CG LEU A 280 -7.345 -9.882 -10.558 1.00 0.00 C ATOM 909 CD1 LEU A 280 -8.826 -9.607 -10.770 1.00 0.00 C ATOM 910 CD2 LEU A 280 -6.996 -11.297 -10.995 1.00 0.00 C ATOM 0 H LEU A 280 -5.907 -7.028 -9.416 1.00 0.00 H new ATOM 0 HA LEU A 280 -4.575 -9.428 -10.535 1.00 0.00 H new ATOM 0 HB2 LEU A 280 -7.074 -7.943 -11.419 1.00 0.00 H new ATOM 0 HB3 LEU A 280 -6.319 -9.241 -12.322 1.00 0.00 H new ATOM 0 HG LEU A 280 -7.127 -9.788 -9.494 1.00 0.00 H new ATOM 0 HD11 LEU A 280 -9.415 -10.343 -10.223 1.00 0.00 H new ATOM 0 HD12 LEU A 280 -9.066 -8.608 -10.406 1.00 0.00 H new ATOM 0 HD13 LEU A 280 -9.060 -9.672 -11.833 1.00 0.00 H new ATOM 0 HD21 LEU A 280 -7.610 -12.010 -10.445 1.00 0.00 H new ATOM 0 HD22 LEU A 280 -7.184 -11.405 -12.063 1.00 0.00 H new ATOM 0 HD23 LEU A 280 -5.943 -11.492 -10.791 1.00 0.00 H new ATOM 922 N CYS A 281 -3.034 -7.712 -11.571 1.00 0.00 N ATOM 923 CA CYS A 281 -2.164 -6.901 -12.414 1.00 0.00 C ATOM 924 C CYS A 281 -1.820 -7.636 -13.706 1.00 0.00 C ATOM 925 O CYS A 281 -1.323 -8.761 -13.679 1.00 0.00 O ATOM 926 CB CYS A 281 -0.881 -6.540 -11.663 1.00 0.00 C ATOM 927 SG CYS A 281 0.103 -5.230 -12.458 1.00 0.00 S ATOM 0 H CYS A 281 -2.541 -8.356 -10.952 1.00 0.00 H new ATOM 0 HA CYS A 281 -2.698 -5.985 -12.668 1.00 0.00 H new ATOM 0 HB2 CYS A 281 -1.141 -6.222 -10.653 1.00 0.00 H new ATOM 0 HB3 CYS A 281 -0.265 -7.434 -11.567 1.00 0.00 H new ATOM 0 HG CYS A 281 0.220 -4.222 -11.646 1.00 0.00 H new ATOM 932 N GLY A 282 -2.088 -6.991 -14.838 1.00 0.00 N ATOM 933 CA GLY A 282 -1.800 -7.598 -16.124 1.00 0.00 C ATOM 934 C GLY A 282 -2.934 -8.474 -16.618 1.00 0.00 C ATOM 935 O GLY A 282 -3.160 -8.586 -17.824 1.00 0.00 O ATOM 0 H GLY A 282 -2.499 -6.059 -14.887 1.00 0.00 H new ATOM 0 HA2 GLY A 282 -1.604 -6.815 -16.856 1.00 0.00 H new ATOM 0 HA3 GLY A 282 -0.891 -8.195 -16.045 1.00 0.00 H new ATOM 939 N ILE A 283 -3.648 -9.097 -15.687 1.00 0.00 N ATOM 940 CA ILE A 283 -4.764 -9.967 -16.035 1.00 0.00 C ATOM 941 C ILE A 283 -5.645 -9.330 -17.104 1.00 0.00 C ATOM 942 O ILE A 283 -6.326 -10.025 -17.856 1.00 0.00 O ATOM 943 CB ILE A 283 -5.627 -10.297 -14.803 1.00 0.00 C ATOM 944 CG1 ILE A 283 -4.769 -10.937 -13.709 1.00 0.00 C ATOM 945 CG2 ILE A 283 -6.774 -11.217 -15.190 1.00 0.00 C ATOM 946 CD1 ILE A 283 -4.072 -12.204 -14.151 1.00 0.00 C ATOM 0 H ILE A 283 -3.473 -9.015 -14.685 1.00 0.00 H new ATOM 0 HA ILE A 283 -4.335 -10.890 -16.424 1.00 0.00 H new ATOM 0 HB ILE A 283 -6.047 -9.370 -14.414 1.00 0.00 H new ATOM 0 HG12 ILE A 283 -4.021 -10.217 -13.378 1.00 0.00 H new ATOM 0 HG13 ILE A 283 -5.399 -11.160 -12.848 1.00 0.00 H new ATOM 0 HG21 ILE A 283 -7.374 -11.441 -14.308 1.00 0.00 H new ATOM 0 HG22 ILE A 283 -7.397 -10.727 -15.938 1.00 0.00 H new ATOM 0 HG23 ILE A 283 -6.374 -12.144 -15.601 1.00 0.00 H new ATOM 0 HD11 ILE A 283 -3.482 -12.602 -13.325 1.00 0.00 H new ATOM 0 HD12 ILE A 283 -4.815 -12.941 -14.455 1.00 0.00 H new ATOM 0 HD13 ILE A 283 -3.415 -11.983 -14.992 1.00 0.00 H new ATOM 958 N ASN A 284 -5.625 -8.003 -17.165 1.00 0.00 N ATOM 959 CA ASN A 284 -6.422 -7.271 -18.143 1.00 0.00 C ATOM 960 C ASN A 284 -5.526 -6.563 -19.155 1.00 0.00 C ATOM 961 O ASN A 284 -4.558 -5.900 -18.785 1.00 0.00 O ATOM 962 CB ASN A 284 -7.320 -6.251 -17.439 1.00 0.00 C ATOM 963 CG ASN A 284 -8.594 -5.971 -18.213 1.00 0.00 C ATOM 964 OD1 ASN A 284 -8.580 -5.880 -19.441 1.00 0.00 O ATOM 965 ND2 ASN A 284 -9.703 -5.832 -17.497 1.00 0.00 N ATOM 0 H ASN A 284 -5.066 -7.412 -16.549 1.00 0.00 H new ATOM 0 HA ASN A 284 -7.046 -7.988 -18.676 1.00 0.00 H new ATOM 0 HB2 ASN A 284 -7.575 -6.620 -16.446 1.00 0.00 H new ATOM 0 HB3 ASN A 284 -6.770 -5.320 -17.301 1.00 0.00 H new ATOM 0 HD21 ASN A 284 -10.590 -5.642 -17.963 1.00 0.00 H new ATOM 0 HD22 ASN A 284 -9.668 -5.915 -16.481 1.00 0.00 H new