USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=19 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 258 GLN : amide:sc= -3.63! C(o=-3.9!,f=-4.9!) USER MOD Set 1.2: A 271 HIS : no HE2:sc= -0.235 K(o=-3.9,f=-6.3) USER MOD Set 2.1: A 245 CYS SG : rot 139:sc= -0.178 USER MOD Set 2.2: A 247 HIS : no HE2:sc= -7.29! C(o=-12!,f=-15!) USER MOD Set 2.3: A 248 CYS SG : rot -74:sc= -0.259 USER MOD Set 2.4: A 250 THR OG1 : rot -57:sc= 1.14 USER MOD Set 2.5: A 270 HIS : no HD1:sc= -3.4! C(o=-12!,f=-14!) USER MOD Set 2.6: A 273 CYS SG : rot -159:sc= -1.67 USER MOD Set 3.1: A 232 HIS : no HE2:sc= -1.55 K(o=-5.1,f=-6.5!) USER MOD Set 3.2: A 262 CYS SG : rot -25:sc= -2.64 USER MOD Set 3.3: A 265 CYS SG : rot -53:sc= 0.954 USER MOD Set 3.4: A 281 CYS SG : rot 88:sc= -1.88 USER MOD Single : A 230 MET CE :methyl -129:sc= -0.195 (180deg=-0.688) USER MOD Single : A 235 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 237 TYR OH : rot 180:sc= 0 USER MOD Single : A 238 ASN : amide:sc= -2.74! C(o=-2.7!,f=-6.2!) USER MOD Single : A 239 TYR OH : rot 150:sc= 0 USER MOD Single : A 240 LYS NZ :NH3+ -141:sc= -1.21 (180deg=-3.32!) 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 261 LYS NZ :NH3+ -173:sc= -1.28 (180deg=-1.52) USER MOD Single : A 267 MET CE :methyl 139:sc= -1.39 (180deg=-8.1!) USER MOD Single : A 268 ASN : amide:sc= -0.388 X(o=-0.39,f=-0.62) USER MOD Single : A 274 GLN : amide:sc= -3.65! K(o=-3.6!,f=-1.6) USER MOD Single : A 275 THR OG1 : rot -39:sc= 0.282 USER MOD Single : A 276 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 279 ASN : amide:sc= -10.1! C(o=-10!,f=-18!) USER MOD Single : A 284 ASN : amide:sc= -1.54! C(o=-1.5!,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 107 N ASP A 229 -2.363 -14.473 -7.149 1.00 0.00 N ATOM 108 CA ASP A 229 -2.822 -13.106 -7.367 1.00 0.00 C ATOM 109 C ASP A 229 -1.642 -12.165 -7.592 1.00 0.00 C ATOM 110 O ASP A 229 -0.680 -12.166 -6.823 1.00 0.00 O ATOM 111 CB ASP A 229 -3.651 -12.627 -6.174 1.00 0.00 C ATOM 112 CG ASP A 229 -5.023 -13.271 -6.127 1.00 0.00 C ATOM 113 OD1 ASP A 229 -5.884 -12.893 -6.948 1.00 0.00 O ATOM 114 OD2 ASP A 229 -5.234 -14.154 -5.270 1.00 0.00 O ATOM 0 HA ASP A 229 -3.446 -13.097 -8.261 1.00 0.00 H new ATOM 0 HB2 ASP A 229 -3.116 -12.850 -5.251 1.00 0.00 H new ATOM 0 HB3 ASP A 229 -3.763 -11.544 -6.224 1.00 0.00 H new ATOM 119 N MET A 230 -1.721 -11.366 -8.650 1.00 0.00 N ATOM 120 CA MET A 230 -0.660 -10.421 -8.976 1.00 0.00 C ATOM 121 C MET A 230 -1.093 -8.991 -8.671 1.00 0.00 C ATOM 122 O MET A 230 -1.768 -8.338 -9.468 1.00 0.00 O ATOM 123 CB MET A 230 -0.271 -10.546 -10.450 1.00 0.00 C ATOM 124 CG MET A 230 0.678 -11.699 -10.733 1.00 0.00 C ATOM 125 SD MET A 230 1.401 -11.616 -12.383 1.00 0.00 S ATOM 126 CE MET A 230 -0.063 -11.772 -13.402 1.00 0.00 C ATOM 0 H MET A 230 -2.509 -11.354 -9.297 1.00 0.00 H new ATOM 0 HA MET A 230 0.206 -10.659 -8.358 1.00 0.00 H new ATOM 0 HB2 MET A 230 -1.174 -10.675 -11.046 1.00 0.00 H new ATOM 0 HB3 MET A 230 0.194 -9.615 -10.775 1.00 0.00 H new ATOM 0 HG2 MET A 230 1.476 -11.698 -9.991 1.00 0.00 H new ATOM 0 HG3 MET A 230 0.141 -12.641 -10.623 1.00 0.00 H new ATOM 0 HE1 MET A 230 0.091 -12.556 -14.143 1.00 0.00 H new ATOM 0 HE2 MET A 230 -0.917 -12.028 -12.775 1.00 0.00 H new ATOM 0 HE3 MET A 230 -0.256 -10.827 -13.909 1.00 0.00 H new ATOM 136 N PRO A 231 -0.698 -8.490 -7.491 1.00 0.00 N ATOM 137 CA PRO A 231 -1.034 -7.131 -7.055 1.00 0.00 C ATOM 138 C PRO A 231 -0.302 -6.065 -7.864 1.00 0.00 C ATOM 139 O PRO A 231 0.666 -6.359 -8.565 1.00 0.00 O ATOM 140 CB PRO A 231 -0.575 -7.103 -5.595 1.00 0.00 C ATOM 141 CG PRO A 231 0.496 -8.136 -5.515 1.00 0.00 C ATOM 142 CD PRO A 231 0.109 -9.211 -6.492 1.00 0.00 C ATOM 0 HA PRO A 231 -2.093 -6.911 -7.187 1.00 0.00 H new ATOM 0 HB2 PRO A 231 -0.197 -6.119 -5.317 1.00 0.00 H new ATOM 0 HB3 PRO A 231 -1.397 -7.332 -4.917 1.00 0.00 H new ATOM 0 HG2 PRO A 231 1.468 -7.711 -5.767 1.00 0.00 H new ATOM 0 HG3 PRO A 231 0.576 -8.537 -4.505 1.00 0.00 H new ATOM 0 HD2 PRO A 231 0.984 -9.678 -6.944 1.00 0.00 H new ATOM 0 HD3 PRO A 231 -0.463 -10.005 -6.011 1.00 0.00 H new ATOM 150 N HIS A 232 -0.771 -4.826 -7.761 1.00 0.00 N ATOM 151 CA HIS A 232 -0.160 -3.715 -8.483 1.00 0.00 C ATOM 152 C HIS A 232 1.115 -3.251 -7.786 1.00 0.00 C ATOM 153 O HIS A 232 1.088 -2.854 -6.621 1.00 0.00 O ATOM 154 CB HIS A 232 -1.145 -2.551 -8.598 1.00 0.00 C ATOM 155 CG HIS A 232 -2.394 -2.895 -9.349 1.00 0.00 C ATOM 156 ND1 HIS A 232 -2.416 -3.122 -10.709 1.00 0.00 N ATOM 157 CD2 HIS A 232 -3.669 -3.053 -8.922 1.00 0.00 C ATOM 158 CE1 HIS A 232 -3.651 -3.402 -11.086 1.00 0.00 C ATOM 159 NE2 HIS A 232 -4.430 -3.368 -10.021 1.00 0.00 N ATOM 0 H HIS A 232 -1.572 -4.566 -7.185 1.00 0.00 H new ATOM 0 HA HIS A 232 0.099 -4.062 -9.483 1.00 0.00 H new ATOM 0 HB2 HIS A 232 -1.414 -2.213 -7.597 1.00 0.00 H new ATOM 0 HB3 HIS A 232 -0.651 -1.716 -9.094 1.00 0.00 H new ATOM 0 HD1 HIS A 232 -1.606 -3.080 -11.327 1.00 0.00 H new ATOM 0 HD2 HIS A 232 -4.022 -2.950 -7.906 1.00 0.00 H new ATOM 0 HE1 HIS A 232 -3.969 -3.621 -12.094 1.00 0.00 H new ATOM 167 N ARG A 233 2.231 -3.304 -8.507 1.00 0.00 N ATOM 168 CA ARG A 233 3.516 -2.890 -7.957 1.00 0.00 C ATOM 169 C ARG A 233 3.598 -1.371 -7.849 1.00 0.00 C ATOM 170 O ARG A 233 4.414 -0.734 -8.516 1.00 0.00 O ATOM 171 CB ARG A 233 4.659 -3.413 -8.829 1.00 0.00 C ATOM 172 CG ARG A 233 4.867 -4.915 -8.724 1.00 0.00 C ATOM 173 CD ARG A 233 6.009 -5.383 -9.613 1.00 0.00 C ATOM 174 NE ARG A 233 6.302 -6.801 -9.427 1.00 0.00 N ATOM 175 CZ ARG A 233 6.829 -7.303 -8.316 1.00 0.00 C ATOM 176 NH1 ARG A 233 7.119 -6.506 -7.297 1.00 0.00 N ATOM 177 NH2 ARG A 233 7.067 -8.605 -8.222 1.00 0.00 N ATOM 0 H ARG A 233 2.271 -3.629 -9.473 1.00 0.00 H new ATOM 0 HA ARG A 233 3.608 -3.313 -6.956 1.00 0.00 H new ATOM 0 HB2 ARG A 233 4.459 -3.154 -9.869 1.00 0.00 H new ATOM 0 HB3 ARG A 233 5.582 -2.906 -8.546 1.00 0.00 H new ATOM 0 HG2 ARG A 233 5.077 -5.183 -7.689 1.00 0.00 H new ATOM 0 HG3 ARG A 233 3.949 -5.431 -9.007 1.00 0.00 H new ATOM 0 HD2 ARG A 233 5.754 -5.199 -10.657 1.00 0.00 H new ATOM 0 HD3 ARG A 233 6.902 -4.797 -9.395 1.00 0.00 H new ATOM 0 HE ARG A 233 6.090 -7.441 -10.192 1.00 0.00 H new ATOM 0 HH11 ARG A 233 6.937 -5.505 -7.365 1.00 0.00 H new ATOM 0 HH12 ARG A 233 7.524 -6.894 -6.445 1.00 0.00 H new ATOM 0 HH21 ARG A 233 6.845 -9.222 -9.004 1.00 0.00 H new ATOM 0 HH22 ARG A 233 7.472 -8.989 -7.368 1.00 0.00 H new ATOM 191 N PHE A 234 2.747 -0.796 -7.006 1.00 0.00 N ATOM 192 CA PHE A 234 2.722 0.650 -6.812 1.00 0.00 C ATOM 193 C PHE A 234 4.038 1.141 -6.215 1.00 0.00 C ATOM 194 O PHE A 234 4.532 0.588 -5.232 1.00 0.00 O ATOM 195 CB PHE A 234 1.557 1.043 -5.901 1.00 0.00 C ATOM 196 CG PHE A 234 0.208 0.813 -6.521 1.00 0.00 C ATOM 197 CD1 PHE A 234 -0.088 1.320 -7.776 1.00 0.00 C ATOM 198 CD2 PHE A 234 -0.763 0.090 -5.848 1.00 0.00 C ATOM 199 CE1 PHE A 234 -1.329 1.111 -8.347 1.00 0.00 C ATOM 200 CE2 PHE A 234 -2.006 -0.124 -6.415 1.00 0.00 C ATOM 201 CZ PHE A 234 -2.288 0.387 -7.666 1.00 0.00 C ATOM 0 H PHE A 234 2.066 -1.308 -6.446 1.00 0.00 H new ATOM 0 HA PHE A 234 2.587 1.121 -7.786 1.00 0.00 H new ATOM 0 HB2 PHE A 234 1.624 0.474 -4.973 1.00 0.00 H new ATOM 0 HB3 PHE A 234 1.652 2.096 -5.637 1.00 0.00 H new ATOM 0 HD1 PHE A 234 0.659 1.885 -8.314 1.00 0.00 H new ATOM 0 HD2 PHE A 234 -0.547 -0.311 -4.869 1.00 0.00 H new ATOM 0 HE1 PHE A 234 -1.549 1.513 -9.325 1.00 0.00 H new ATOM 0 HE2 PHE A 234 -2.755 -0.690 -5.880 1.00 0.00 H new ATOM 0 HZ PHE A 234 -3.258 0.221 -8.112 1.00 0.00 H new ATOM 211 N LYS A 235 4.600 2.184 -6.816 1.00 0.00 N ATOM 212 CA LYS A 235 5.858 2.752 -6.345 1.00 0.00 C ATOM 213 C LYS A 235 5.842 4.274 -6.456 1.00 0.00 C ATOM 214 O LYS A 235 5.497 4.827 -7.500 1.00 0.00 O ATOM 215 CB LYS A 235 7.030 2.184 -7.148 1.00 0.00 C ATOM 216 CG LYS A 235 7.145 0.671 -7.068 1.00 0.00 C ATOM 217 CD LYS A 235 7.851 0.101 -8.287 1.00 0.00 C ATOM 218 CE LYS A 235 8.965 1.018 -8.766 1.00 0.00 C ATOM 219 NZ LYS A 235 10.045 0.263 -9.461 1.00 0.00 N ATOM 0 H LYS A 235 4.204 2.653 -7.630 1.00 0.00 H new ATOM 0 HA LYS A 235 5.980 2.482 -5.296 1.00 0.00 H new ATOM 0 HB2 LYS A 235 6.920 2.477 -8.192 1.00 0.00 H new ATOM 0 HB3 LYS A 235 7.957 2.630 -6.787 1.00 0.00 H new ATOM 0 HG2 LYS A 235 7.692 0.394 -6.167 1.00 0.00 H new ATOM 0 HG3 LYS A 235 6.150 0.233 -6.985 1.00 0.00 H new ATOM 0 HD2 LYS A 235 8.264 -0.878 -8.045 1.00 0.00 H new ATOM 0 HD3 LYS A 235 7.129 -0.047 -9.090 1.00 0.00 H new ATOM 0 HE2 LYS A 235 8.553 1.767 -9.442 1.00 0.00 H new ATOM 0 HE3 LYS A 235 9.386 1.553 -7.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 235 10.785 0.924 -9.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 235 10.456 -0.435 -8.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 235 9.649 -0.227 -10.288 1.00 0.00 H new ATOM 233 N VAL A 236 6.221 4.945 -5.373 1.00 0.00 N ATOM 234 CA VAL A 236 6.253 6.403 -5.350 1.00 0.00 C ATOM 235 C VAL A 236 6.912 6.958 -6.607 1.00 0.00 C ATOM 236 O VAL A 236 7.979 6.498 -7.016 1.00 0.00 O ATOM 237 CB VAL A 236 7.007 6.928 -4.113 1.00 0.00 C ATOM 238 CG1 VAL A 236 7.182 8.436 -4.196 1.00 0.00 C ATOM 239 CG2 VAL A 236 6.275 6.537 -2.838 1.00 0.00 C ATOM 0 H VAL A 236 6.510 4.503 -4.500 1.00 0.00 H new ATOM 0 HA VAL A 236 5.218 6.742 -5.306 1.00 0.00 H new ATOM 0 HB VAL A 236 7.997 6.472 -4.091 1.00 0.00 H new ATOM 0 HG11 VAL A 236 7.716 8.789 -3.314 1.00 0.00 H new ATOM 0 HG12 VAL A 236 7.752 8.687 -5.091 1.00 0.00 H new ATOM 0 HG13 VAL A 236 6.203 8.914 -4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 236 6.821 6.916 -1.974 1.00 0.00 H new ATOM 0 HG22 VAL A 236 5.272 6.964 -2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 236 6.207 5.451 -2.776 1.00 0.00 H new ATOM 249 N TYR A 237 6.272 7.950 -7.215 1.00 0.00 N ATOM 250 CA TYR A 237 6.795 8.568 -8.428 1.00 0.00 C ATOM 251 C TYR A 237 6.414 10.043 -8.496 1.00 0.00 C ATOM 252 O TYR A 237 5.489 10.489 -7.818 1.00 0.00 O ATOM 253 CB TYR A 237 6.271 7.837 -9.665 1.00 0.00 C ATOM 254 CG TYR A 237 6.767 8.420 -10.969 1.00 0.00 C ATOM 255 CD1 TYR A 237 8.090 8.268 -11.362 1.00 0.00 C ATOM 256 CD2 TYR A 237 5.911 9.123 -11.808 1.00 0.00 C ATOM 257 CE1 TYR A 237 8.548 8.800 -12.552 1.00 0.00 C ATOM 258 CE2 TYR A 237 6.359 9.657 -13.001 1.00 0.00 C ATOM 259 CZ TYR A 237 7.679 9.493 -13.368 1.00 0.00 C ATOM 260 OH TYR A 237 8.130 10.024 -14.554 1.00 0.00 O ATOM 0 H TYR A 237 5.390 8.344 -6.888 1.00 0.00 H new ATOM 0 HA TYR A 237 7.882 8.493 -8.403 1.00 0.00 H new ATOM 0 HB2 TYR A 237 6.566 6.789 -9.610 1.00 0.00 H new ATOM 0 HB3 TYR A 237 5.181 7.862 -9.657 1.00 0.00 H new ATOM 0 HD1 TYR A 237 8.773 7.724 -10.726 1.00 0.00 H new ATOM 0 HD2 TYR A 237 4.878 9.254 -11.523 1.00 0.00 H new ATOM 0 HE1 TYR A 237 9.581 8.674 -12.841 1.00 0.00 H new ATOM 0 HE2 TYR A 237 5.680 10.199 -13.642 1.00 0.00 H new ATOM 0 HH TYR A 237 7.392 10.480 -15.010 1.00 0.00 H new ATOM 270 N ASN A 238 7.135 10.797 -9.320 1.00 0.00 N ATOM 271 CA ASN A 238 6.874 12.223 -9.477 1.00 0.00 C ATOM 272 C ASN A 238 5.904 12.474 -10.628 1.00 0.00 C ATOM 273 O ASN A 238 5.931 11.773 -11.640 1.00 0.00 O ATOM 274 CB ASN A 238 8.182 12.978 -9.723 1.00 0.00 C ATOM 275 CG ASN A 238 9.326 12.439 -8.887 1.00 0.00 C ATOM 276 OD1 ASN A 238 9.560 11.231 -8.840 1.00 0.00 O ATOM 277 ND2 ASN A 238 10.046 13.335 -8.222 1.00 0.00 N ATOM 0 H ASN A 238 7.904 10.444 -9.889 1.00 0.00 H new ATOM 0 HA ASN A 238 6.420 12.588 -8.556 1.00 0.00 H new ATOM 0 HB2 ASN A 238 8.444 12.911 -10.779 1.00 0.00 H new ATOM 0 HB3 ASN A 238 8.037 14.034 -9.497 1.00 0.00 H new ATOM 0 HD21 ASN A 238 10.829 13.032 -7.643 1.00 0.00 H new ATOM 0 HD22 ASN A 238 9.816 14.326 -8.290 1.00 0.00 H new ATOM 284 N TYR A 239 5.051 13.479 -10.467 1.00 0.00 N ATOM 285 CA TYR A 239 4.071 13.822 -11.491 1.00 0.00 C ATOM 286 C TYR A 239 4.469 15.104 -12.216 1.00 0.00 C ATOM 287 O TYR A 239 4.840 16.097 -11.590 1.00 0.00 O ATOM 288 CB TYR A 239 2.685 13.985 -10.866 1.00 0.00 C ATOM 289 CG TYR A 239 2.077 12.684 -10.392 1.00 0.00 C ATOM 290 CD1 TYR A 239 1.543 11.774 -11.295 1.00 0.00 C ATOM 291 CD2 TYR A 239 2.039 12.365 -9.040 1.00 0.00 C ATOM 292 CE1 TYR A 239 0.986 10.585 -10.866 1.00 0.00 C ATOM 293 CE2 TYR A 239 1.486 11.178 -8.602 1.00 0.00 C ATOM 294 CZ TYR A 239 0.960 10.291 -9.519 1.00 0.00 C ATOM 295 OH TYR A 239 0.408 9.107 -9.087 1.00 0.00 O ATOM 0 H TYR A 239 5.018 14.071 -9.637 1.00 0.00 H new ATOM 0 HA TYR A 239 4.041 13.009 -12.217 1.00 0.00 H new ATOM 0 HB2 TYR A 239 2.755 14.672 -10.023 1.00 0.00 H new ATOM 0 HB3 TYR A 239 2.018 14.443 -11.596 1.00 0.00 H new ATOM 0 HD1 TYR A 239 1.564 12.000 -12.351 1.00 0.00 H new ATOM 0 HD2 TYR A 239 2.449 13.057 -8.320 1.00 0.00 H new ATOM 0 HE1 TYR A 239 0.573 9.889 -11.582 1.00 0.00 H new ATOM 0 HE2 TYR A 239 1.465 10.945 -7.548 1.00 0.00 H new ATOM 0 HH TYR A 239 0.856 8.818 -8.265 1.00 0.00 H new ATOM 305 N LYS A 240 4.387 15.075 -13.542 1.00 0.00 N ATOM 306 CA LYS A 240 4.736 16.233 -14.356 1.00 0.00 C ATOM 307 C LYS A 240 3.673 16.490 -15.420 1.00 0.00 C ATOM 308 O LYS A 240 3.824 17.376 -16.261 1.00 0.00 O ATOM 309 CB LYS A 240 6.098 16.024 -15.021 1.00 0.00 C ATOM 310 CG LYS A 240 6.719 17.305 -15.552 1.00 0.00 C ATOM 311 CD LYS A 240 7.311 18.143 -14.431 1.00 0.00 C ATOM 312 CE LYS A 240 8.658 17.601 -13.980 1.00 0.00 C ATOM 313 NZ LYS A 240 8.510 16.491 -12.999 1.00 0.00 N ATOM 0 H LYS A 240 4.082 14.261 -14.076 1.00 0.00 H new ATOM 0 HA LYS A 240 4.788 17.103 -13.701 1.00 0.00 H new ATOM 0 HB2 LYS A 240 6.779 15.572 -14.300 1.00 0.00 H new ATOM 0 HB3 LYS A 240 5.987 15.316 -15.843 1.00 0.00 H new ATOM 0 HG2 LYS A 240 7.497 17.061 -16.275 1.00 0.00 H new ATOM 0 HG3 LYS A 240 5.963 17.885 -16.081 1.00 0.00 H new ATOM 0 HD2 LYS A 240 7.427 19.173 -14.768 1.00 0.00 H new ATOM 0 HD3 LYS A 240 6.623 18.159 -13.586 1.00 0.00 H new ATOM 0 HE2 LYS A 240 9.216 17.247 -14.847 1.00 0.00 H new ATOM 0 HE3 LYS A 240 9.242 18.406 -13.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 9.243 16.576 -12.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 7.570 16.541 -12.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 8.614 15.579 -13.488 1.00 0.00 H new ATOM 327 N SER A 241 2.597 15.710 -15.376 1.00 0.00 N ATOM 328 CA SER A 241 1.511 15.852 -16.338 1.00 0.00 C ATOM 329 C SER A 241 0.156 15.704 -15.652 1.00 0.00 C ATOM 330 O SER A 241 0.026 15.064 -14.608 1.00 0.00 O ATOM 331 CB SER A 241 1.648 14.813 -17.452 1.00 0.00 C ATOM 332 OG SER A 241 2.718 15.136 -18.322 1.00 0.00 O ATOM 0 H SER A 241 2.455 14.974 -14.685 1.00 0.00 H new ATOM 0 HA SER A 241 1.572 16.850 -16.773 1.00 0.00 H new ATOM 0 HB2 SER A 241 1.814 13.828 -17.016 1.00 0.00 H new ATOM 0 HB3 SER A 241 0.718 14.758 -18.019 1.00 0.00 H new ATOM 0 HG SER A 241 2.786 14.456 -19.024 1.00 0.00 H new ATOM 338 N PRO A 242 -0.880 16.310 -16.252 1.00 0.00 N ATOM 339 CA PRO A 242 -2.244 16.261 -15.718 1.00 0.00 C ATOM 340 C PRO A 242 -2.862 14.872 -15.836 1.00 0.00 C ATOM 341 O PRO A 242 -3.457 14.530 -16.858 1.00 0.00 O ATOM 342 CB PRO A 242 -3.004 17.260 -16.593 1.00 0.00 C ATOM 343 CG PRO A 242 -2.239 17.304 -17.870 1.00 0.00 C ATOM 344 CD PRO A 242 -0.798 17.091 -17.498 1.00 0.00 C ATOM 0 HA PRO A 242 -2.274 16.497 -14.654 1.00 0.00 H new ATOM 0 HB2 PRO A 242 -4.032 16.939 -16.759 1.00 0.00 H new ATOM 0 HB3 PRO A 242 -3.049 18.243 -16.124 1.00 0.00 H new ATOM 0 HG2 PRO A 242 -2.583 16.531 -18.557 1.00 0.00 H new ATOM 0 HG3 PRO A 242 -2.375 18.261 -18.373 1.00 0.00 H new ATOM 0 HD2 PRO A 242 -0.258 16.551 -18.276 1.00 0.00 H new ATOM 0 HD3 PRO A 242 -0.278 18.037 -17.346 1.00 0.00 H new ATOM 352 N THR A 243 -2.719 14.073 -14.782 1.00 0.00 N ATOM 353 CA THR A 243 -3.262 12.721 -14.768 1.00 0.00 C ATOM 354 C THR A 243 -4.378 12.588 -13.738 1.00 0.00 C ATOM 355 O THR A 243 -4.378 13.274 -12.716 1.00 0.00 O ATOM 356 CB THR A 243 -2.170 11.680 -14.462 1.00 0.00 C ATOM 357 OG1 THR A 243 -1.195 11.669 -15.511 1.00 0.00 O ATOM 358 CG2 THR A 243 -2.773 10.292 -14.310 1.00 0.00 C ATOM 0 H THR A 243 -2.231 14.340 -13.927 1.00 0.00 H new ATOM 0 HA THR A 243 -3.665 12.532 -15.763 1.00 0.00 H new ATOM 0 HB THR A 243 -1.690 11.956 -13.523 1.00 0.00 H new ATOM 0 HG1 THR A 243 -0.503 11.005 -15.308 1.00 0.00 H new ATOM 0 HG21 THR A 243 -1.982 9.573 -14.094 1.00 0.00 H new ATOM 0 HG22 THR A 243 -3.493 10.296 -13.492 1.00 0.00 H new ATOM 0 HG23 THR A 243 -3.276 10.011 -15.235 1.00 0.00 H new ATOM 366 N PHE A 244 -5.329 11.701 -14.014 1.00 0.00 N ATOM 367 CA PHE A 244 -6.452 11.479 -13.111 1.00 0.00 C ATOM 368 C PHE A 244 -6.457 10.044 -12.593 1.00 0.00 C ATOM 369 O PHE A 244 -6.385 9.091 -13.370 1.00 0.00 O ATOM 370 CB PHE A 244 -7.773 11.781 -13.821 1.00 0.00 C ATOM 371 CG PHE A 244 -7.747 13.054 -14.618 1.00 0.00 C ATOM 372 CD1 PHE A 244 -7.287 13.060 -15.925 1.00 0.00 C ATOM 373 CD2 PHE A 244 -8.184 14.245 -14.061 1.00 0.00 C ATOM 374 CE1 PHE A 244 -7.262 14.229 -16.661 1.00 0.00 C ATOM 375 CE2 PHE A 244 -8.162 15.417 -14.792 1.00 0.00 C ATOM 376 CZ PHE A 244 -7.699 15.410 -16.094 1.00 0.00 C ATOM 0 H PHE A 244 -5.344 11.125 -14.855 1.00 0.00 H new ATOM 0 HA PHE A 244 -6.342 12.153 -12.262 1.00 0.00 H new ATOM 0 HB2 PHE A 244 -8.018 10.951 -14.484 1.00 0.00 H new ATOM 0 HB3 PHE A 244 -8.569 11.842 -13.079 1.00 0.00 H new ATOM 0 HD1 PHE A 244 -6.944 12.140 -16.374 1.00 0.00 H new ATOM 0 HD2 PHE A 244 -8.546 14.257 -13.044 1.00 0.00 H new ATOM 0 HE1 PHE A 244 -6.901 14.219 -17.679 1.00 0.00 H new ATOM 0 HE2 PHE A 244 -8.507 16.338 -14.346 1.00 0.00 H new ATOM 0 HZ PHE A 244 -7.679 16.326 -16.667 1.00 0.00 H new ATOM 386 N CYS A 245 -6.542 9.897 -11.275 1.00 0.00 N ATOM 387 CA CYS A 245 -6.555 8.579 -10.651 1.00 0.00 C ATOM 388 C CYS A 245 -7.385 7.597 -11.473 1.00 0.00 C ATOM 389 O CYS A 245 -8.435 7.951 -12.007 1.00 0.00 O ATOM 390 CB CYS A 245 -7.114 8.671 -9.230 1.00 0.00 C ATOM 391 SG CYS A 245 -6.467 7.402 -8.093 1.00 0.00 S ATOM 0 H CYS A 245 -6.603 10.675 -10.618 1.00 0.00 H new ATOM 0 HA CYS A 245 -5.529 8.214 -10.608 1.00 0.00 H new ATOM 0 HB2 CYS A 245 -6.886 9.657 -8.825 1.00 0.00 H new ATOM 0 HB3 CYS A 245 -8.200 8.586 -9.272 1.00 0.00 H new ATOM 0 HG CYS A 245 -6.223 7.940 -6.935 1.00 0.00 H new ATOM 396 N GLU A 246 -6.905 6.361 -11.568 1.00 0.00 N ATOM 397 CA GLU A 246 -7.601 5.327 -12.325 1.00 0.00 C ATOM 398 C GLU A 246 -8.601 4.587 -11.442 1.00 0.00 C ATOM 399 O GLU A 246 -9.170 3.571 -11.844 1.00 0.00 O ATOM 400 CB GLU A 246 -6.599 4.337 -12.921 1.00 0.00 C ATOM 401 CG GLU A 246 -5.914 4.845 -14.178 1.00 0.00 C ATOM 402 CD GLU A 246 -6.759 4.649 -15.422 1.00 0.00 C ATOM 403 OE1 GLU A 246 -7.995 4.533 -15.289 1.00 0.00 O ATOM 404 OE2 GLU A 246 -6.182 4.611 -16.530 1.00 0.00 O ATOM 0 H GLU A 246 -6.037 6.051 -11.130 1.00 0.00 H new ATOM 0 HA GLU A 246 -8.146 5.811 -13.135 1.00 0.00 H new ATOM 0 HB2 GLU A 246 -5.841 4.106 -12.173 1.00 0.00 H new ATOM 0 HB3 GLU A 246 -7.115 3.405 -13.150 1.00 0.00 H new ATOM 0 HG2 GLU A 246 -5.687 5.905 -14.061 1.00 0.00 H new ATOM 0 HG3 GLU A 246 -4.963 4.327 -14.304 1.00 0.00 H new ATOM 411 N HIS A 247 -8.811 5.103 -10.234 1.00 0.00 N ATOM 412 CA HIS A 247 -9.742 4.491 -9.293 1.00 0.00 C ATOM 413 C HIS A 247 -10.806 5.492 -8.853 1.00 0.00 C ATOM 414 O HIS A 247 -11.986 5.340 -9.170 1.00 0.00 O ATOM 415 CB HIS A 247 -8.990 3.959 -8.073 1.00 0.00 C ATOM 416 CG HIS A 247 -9.891 3.521 -6.959 1.00 0.00 C ATOM 417 ND1 HIS A 247 -10.482 2.276 -6.914 1.00 0.00 N ATOM 418 CD2 HIS A 247 -10.298 4.169 -5.843 1.00 0.00 C ATOM 419 CE1 HIS A 247 -11.216 2.178 -5.820 1.00 0.00 C ATOM 420 NE2 HIS A 247 -11.121 3.314 -5.152 1.00 0.00 N ATOM 0 H HIS A 247 -8.349 5.943 -9.885 1.00 0.00 H new ATOM 0 HA HIS A 247 -10.236 3.660 -9.797 1.00 0.00 H new ATOM 0 HB2 HIS A 247 -8.368 3.118 -8.378 1.00 0.00 H new ATOM 0 HB3 HIS A 247 -8.319 4.734 -7.703 1.00 0.00 H new ATOM 0 HD1 HIS A 247 -10.370 1.545 -7.616 1.00 0.00 H new ATOM 0 HD2 HIS A 247 -10.026 5.172 -5.550 1.00 0.00 H new ATOM 0 HE1 HIS A 247 -11.795 1.316 -5.522 1.00 0.00 H new ATOM 428 N CYS A 248 -10.381 6.516 -8.121 1.00 0.00 N ATOM 429 CA CYS A 248 -11.296 7.542 -7.636 1.00 0.00 C ATOM 430 C CYS A 248 -11.632 8.539 -8.742 1.00 0.00 C ATOM 431 O CYS A 248 -12.609 9.280 -8.648 1.00 0.00 O ATOM 432 CB CYS A 248 -10.685 8.277 -6.440 1.00 0.00 C ATOM 433 SG CYS A 248 -9.292 9.369 -6.872 1.00 0.00 S ATOM 0 H CYS A 248 -9.408 6.657 -7.850 1.00 0.00 H new ATOM 0 HA CYS A 248 -12.217 7.052 -7.321 1.00 0.00 H new ATOM 0 HB2 CYS A 248 -11.461 8.870 -5.956 1.00 0.00 H new ATOM 0 HB3 CYS A 248 -10.344 7.542 -5.711 1.00 0.00 H new ATOM 0 HG CYS A 248 -8.243 8.649 -7.140 1.00 0.00 H new ATOM 438 N GLY A 249 -10.813 8.549 -9.789 1.00 0.00 N ATOM 439 CA GLY A 249 -11.039 9.458 -10.898 1.00 0.00 C ATOM 440 C GLY A 249 -10.905 10.912 -10.493 1.00 0.00 C ATOM 441 O GLY A 249 -11.763 11.736 -10.813 1.00 0.00 O ATOM 0 H GLY A 249 -9.998 7.944 -9.889 1.00 0.00 H new ATOM 0 HA2 GLY A 249 -10.327 9.239 -11.694 1.00 0.00 H new ATOM 0 HA3 GLY A 249 -12.036 9.288 -11.306 1.00 0.00 H new ATOM 445 N THR A 250 -9.826 11.231 -9.785 1.00 0.00 N ATOM 446 CA THR A 250 -9.584 12.595 -9.332 1.00 0.00 C ATOM 447 C THR A 250 -8.121 12.982 -9.514 1.00 0.00 C ATOM 448 O THR A 250 -7.235 12.127 -9.498 1.00 0.00 O ATOM 449 CB THR A 250 -9.971 12.772 -7.852 1.00 0.00 C ATOM 450 OG1 THR A 250 -8.952 12.222 -7.010 1.00 0.00 O ATOM 451 CG2 THR A 250 -11.301 12.097 -7.555 1.00 0.00 C ATOM 0 H THR A 250 -9.105 10.562 -9.513 1.00 0.00 H new ATOM 0 HA THR A 250 -10.208 13.247 -9.943 1.00 0.00 H new ATOM 0 HB THR A 250 -10.071 13.839 -7.651 1.00 0.00 H new ATOM 0 HG1 THR A 250 -8.819 11.277 -7.233 1.00 0.00 H new ATOM 0 HG21 THR A 250 -11.553 12.236 -6.504 1.00 0.00 H new ATOM 0 HG22 THR A 250 -12.080 12.539 -8.176 1.00 0.00 H new ATOM 0 HG23 THR A 250 -11.225 11.032 -7.772 1.00 0.00 H new ATOM 459 N LEU A 251 -7.874 14.276 -9.685 1.00 0.00 N ATOM 460 CA LEU A 251 -6.517 14.778 -9.869 1.00 0.00 C ATOM 461 C LEU A 251 -5.676 14.544 -8.618 1.00 0.00 C ATOM 462 O LEU A 251 -6.210 14.353 -7.524 1.00 0.00 O ATOM 463 CB LEU A 251 -6.545 16.270 -10.207 1.00 0.00 C ATOM 464 CG LEU A 251 -6.643 16.620 -11.692 1.00 0.00 C ATOM 465 CD1 LEU A 251 -6.567 18.125 -11.892 1.00 0.00 C ATOM 466 CD2 LEU A 251 -5.546 15.919 -12.479 1.00 0.00 C ATOM 0 H LEU A 251 -8.596 14.997 -9.700 1.00 0.00 H new ATOM 0 HA LEU A 251 -6.063 14.233 -10.697 1.00 0.00 H new ATOM 0 HB2 LEU A 251 -7.391 16.723 -9.691 1.00 0.00 H new ATOM 0 HB3 LEU A 251 -5.643 16.730 -9.805 1.00 0.00 H new ATOM 0 HG LEU A 251 -7.607 16.273 -12.064 1.00 0.00 H new ATOM 0 HD11 LEU A 251 -6.638 18.355 -12.955 1.00 0.00 H new ATOM 0 HD12 LEU A 251 -7.389 18.605 -11.361 1.00 0.00 H new ATOM 0 HD13 LEU A 251 -5.619 18.496 -11.503 1.00 0.00 H new ATOM 0 HD21 LEU A 251 -5.632 16.180 -13.534 1.00 0.00 H new ATOM 0 HD22 LEU A 251 -4.572 16.234 -12.105 1.00 0.00 H new ATOM 0 HD23 LEU A 251 -5.648 14.840 -12.363 1.00 0.00 H new ATOM 478 N LEU A 252 -4.358 14.562 -8.785 1.00 0.00 N ATOM 479 CA LEU A 252 -3.442 14.355 -7.669 1.00 0.00 C ATOM 480 C LEU A 252 -3.136 15.672 -6.963 1.00 0.00 C ATOM 481 O LEU A 252 -3.553 16.739 -7.413 1.00 0.00 O ATOM 482 CB LEU A 252 -2.144 13.713 -8.162 1.00 0.00 C ATOM 483 CG LEU A 252 -2.227 12.233 -8.538 1.00 0.00 C ATOM 484 CD1 LEU A 252 -2.564 11.390 -7.318 1.00 0.00 C ATOM 485 CD2 LEU A 252 -3.257 12.020 -9.638 1.00 0.00 C ATOM 0 H LEU A 252 -3.900 14.718 -9.683 1.00 0.00 H new ATOM 0 HA LEU A 252 -3.923 13.686 -6.956 1.00 0.00 H new ATOM 0 HB2 LEU A 252 -1.795 14.269 -9.032 1.00 0.00 H new ATOM 0 HB3 LEU A 252 -1.388 13.828 -7.386 1.00 0.00 H new ATOM 0 HG LEU A 252 -1.253 11.918 -8.913 1.00 0.00 H new ATOM 0 HD11 LEU A 252 -2.619 10.340 -7.605 1.00 0.00 H new ATOM 0 HD12 LEU A 252 -1.790 11.519 -6.561 1.00 0.00 H new ATOM 0 HD13 LEU A 252 -3.525 11.706 -6.912 1.00 0.00 H new ATOM 0 HD21 LEU A 252 -3.303 10.961 -9.893 1.00 0.00 H new ATOM 0 HD22 LEU A 252 -4.235 12.352 -9.290 1.00 0.00 H new ATOM 0 HD23 LEU A 252 -2.972 12.594 -10.520 1.00 0.00 H new ATOM 497 N TRP A 253 -2.403 15.588 -5.859 1.00 0.00 N ATOM 498 CA TRP A 253 -2.039 16.774 -5.092 1.00 0.00 C ATOM 499 C TRP A 253 -1.070 16.421 -3.970 1.00 0.00 C ATOM 500 O TRP A 253 -1.313 15.496 -3.195 1.00 0.00 O ATOM 501 CB TRP A 253 -3.291 17.436 -4.512 1.00 0.00 C ATOM 502 CG TRP A 253 -4.276 16.456 -3.952 1.00 0.00 C ATOM 503 CD1 TRP A 253 -4.149 15.735 -2.799 1.00 0.00 C ATOM 504 CD2 TRP A 253 -5.537 16.087 -4.521 1.00 0.00 C ATOM 505 NE1 TRP A 253 -5.255 14.940 -2.617 1.00 0.00 N ATOM 506 CE2 TRP A 253 -6.122 15.139 -3.660 1.00 0.00 C ATOM 507 CE3 TRP A 253 -6.229 16.467 -5.674 1.00 0.00 C ATOM 508 CZ2 TRP A 253 -7.365 14.567 -3.917 1.00 0.00 C ATOM 509 CZ3 TRP A 253 -7.463 15.898 -5.928 1.00 0.00 C ATOM 510 CH2 TRP A 253 -8.021 14.957 -5.052 1.00 0.00 C ATOM 0 H TRP A 253 -2.049 14.712 -5.475 1.00 0.00 H new ATOM 0 HA TRP A 253 -1.545 17.474 -5.766 1.00 0.00 H new ATOM 0 HB2 TRP A 253 -2.995 18.131 -3.727 1.00 0.00 H new ATOM 0 HB3 TRP A 253 -3.777 18.023 -5.291 1.00 0.00 H new ATOM 0 HD1 TRP A 253 -3.304 15.783 -2.129 1.00 0.00 H new ATOM 0 HE1 TRP A 253 -5.406 14.305 -1.833 1.00 0.00 H new ATOM 0 HE3 TRP A 253 -5.807 17.192 -6.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 253 -7.796 13.841 -3.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 253 -8.006 16.183 -6.817 1.00 0.00 H new ATOM 0 HH2 TRP A 253 -8.988 14.532 -5.278 1.00 0.00 H new ATOM 521 N GLY A 254 0.030 17.163 -3.887 1.00 0.00 N ATOM 522 CA GLY A 254 1.019 16.912 -2.856 1.00 0.00 C ATOM 523 C GLY A 254 2.419 17.304 -3.286 1.00 0.00 C ATOM 524 O GLY A 254 2.656 18.445 -3.687 1.00 0.00 O ATOM 0 H GLY A 254 0.254 17.934 -4.516 1.00 0.00 H new ATOM 0 HA2 GLY A 254 0.750 17.466 -1.957 1.00 0.00 H new ATOM 0 HA3 GLY A 254 1.006 15.854 -2.594 1.00 0.00 H new ATOM 528 N LEU A 255 3.348 16.359 -3.203 1.00 0.00 N ATOM 529 CA LEU A 255 4.733 16.612 -3.585 1.00 0.00 C ATOM 530 C LEU A 255 5.283 15.465 -4.427 1.00 0.00 C ATOM 531 O LEU A 255 4.585 14.488 -4.696 1.00 0.00 O ATOM 532 CB LEU A 255 5.600 16.807 -2.340 1.00 0.00 C ATOM 533 CG LEU A 255 4.962 16.406 -1.009 1.00 0.00 C ATOM 534 CD1 LEU A 255 5.970 16.527 0.123 1.00 0.00 C ATOM 535 CD2 LEU A 255 3.735 17.260 -0.727 1.00 0.00 C ATOM 0 H LEU A 255 3.168 15.410 -2.875 1.00 0.00 H new ATOM 0 HA LEU A 255 4.758 17.523 -4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 255 6.518 16.233 -2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 255 5.886 17.857 -2.281 1.00 0.00 H new ATOM 0 HG LEU A 255 4.647 15.365 -1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 255 5.499 16.238 1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 255 6.819 15.872 -0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 255 6.316 17.558 0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 255 3.294 16.961 0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 255 4.026 18.309 -0.678 1.00 0.00 H new ATOM 0 HD23 LEU A 255 3.005 17.123 -1.525 1.00 0.00 H new ATOM 547 N ALA A 256 6.541 15.590 -4.838 1.00 0.00 N ATOM 548 CA ALA A 256 7.187 14.562 -5.645 1.00 0.00 C ATOM 549 C ALA A 256 6.789 13.167 -5.178 1.00 0.00 C ATOM 550 O ALA A 256 6.643 12.249 -5.985 1.00 0.00 O ATOM 551 CB ALA A 256 8.699 14.726 -5.598 1.00 0.00 C ATOM 0 H ALA A 256 7.133 16.393 -4.625 1.00 0.00 H new ATOM 0 HA ALA A 256 6.852 14.680 -6.676 1.00 0.00 H new ATOM 0 HB1 ALA A 256 9.168 13.952 -6.205 1.00 0.00 H new ATOM 0 HB2 ALA A 256 8.971 15.707 -5.988 1.00 0.00 H new ATOM 0 HB3 ALA A 256 9.043 14.637 -4.567 1.00 0.00 H new ATOM 557 N ARG A 257 6.616 13.013 -3.869 1.00 0.00 N ATOM 558 CA ARG A 257 6.237 11.728 -3.294 1.00 0.00 C ATOM 559 C ARG A 257 4.722 11.627 -3.140 1.00 0.00 C ATOM 560 O ARG A 257 4.214 11.414 -2.040 1.00 0.00 O ATOM 561 CB ARG A 257 6.912 11.535 -1.935 1.00 0.00 C ATOM 562 CG ARG A 257 8.416 11.330 -2.026 1.00 0.00 C ATOM 563 CD ARG A 257 9.026 11.070 -0.657 1.00 0.00 C ATOM 564 NE ARG A 257 10.238 10.259 -0.744 1.00 0.00 N ATOM 565 CZ ARG A 257 10.237 8.969 -1.059 1.00 0.00 C ATOM 566 NH1 ARG A 257 9.095 8.346 -1.317 1.00 0.00 N ATOM 567 NH2 ARG A 257 11.381 8.298 -1.117 1.00 0.00 N ATOM 0 H ARG A 257 6.732 13.762 -3.187 1.00 0.00 H new ATOM 0 HA ARG A 257 6.569 10.942 -3.972 1.00 0.00 H new ATOM 0 HB2 ARG A 257 6.709 12.406 -1.311 1.00 0.00 H new ATOM 0 HB3 ARG A 257 6.466 10.675 -1.436 1.00 0.00 H new ATOM 0 HG2 ARG A 257 8.631 10.490 -2.687 1.00 0.00 H new ATOM 0 HG3 ARG A 257 8.878 12.211 -2.470 1.00 0.00 H new ATOM 0 HD2 ARG A 257 9.259 12.021 -0.177 1.00 0.00 H new ATOM 0 HD3 ARG A 257 8.296 10.565 -0.025 1.00 0.00 H new ATOM 0 HE ARG A 257 11.134 10.708 -0.552 1.00 0.00 H new ATOM 0 HH11 ARG A 257 8.214 8.858 -1.274 1.00 0.00 H new ATOM 0 HH12 ARG A 257 9.098 7.355 -1.559 1.00 0.00 H new ATOM 0 HH21 ARG A 257 12.262 8.773 -0.920 1.00 0.00 H new ATOM 0 HH22 ARG A 257 11.379 7.307 -1.359 1.00 0.00 H new ATOM 581 N GLN A 258 4.008 11.781 -4.250 1.00 0.00 N ATOM 582 CA GLN A 258 2.552 11.708 -4.238 1.00 0.00 C ATOM 583 C GLN A 258 2.061 10.493 -5.017 1.00 0.00 C ATOM 584 O GLN A 258 2.766 9.970 -5.880 1.00 0.00 O ATOM 585 CB GLN A 258 1.951 12.985 -4.829 1.00 0.00 C ATOM 586 CG GLN A 258 0.473 13.161 -4.520 1.00 0.00 C ATOM 587 CD GLN A 258 0.185 13.168 -3.032 1.00 0.00 C ATOM 588 OE1 GLN A 258 1.097 13.268 -2.212 1.00 0.00 O ATOM 589 NE2 GLN A 258 -1.090 13.061 -2.676 1.00 0.00 N ATOM 0 H GLN A 258 4.414 11.957 -5.169 1.00 0.00 H new ATOM 0 HA GLN A 258 2.227 11.608 -3.202 1.00 0.00 H new ATOM 0 HB2 GLN A 258 2.499 13.846 -4.446 1.00 0.00 H new ATOM 0 HB3 GLN A 258 2.089 12.975 -5.910 1.00 0.00 H new ATOM 0 HG2 GLN A 258 0.123 14.095 -4.958 1.00 0.00 H new ATOM 0 HG3 GLN A 258 -0.091 12.356 -4.992 1.00 0.00 H new ATOM 0 HE21 GLN A 258 -1.814 12.980 -3.390 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -1.345 13.060 -1.688 1.00 0.00 H new ATOM 598 N GLY A 259 0.847 10.047 -4.707 1.00 0.00 N ATOM 599 CA GLY A 259 0.283 8.896 -5.387 1.00 0.00 C ATOM 600 C GLY A 259 1.302 7.795 -5.604 1.00 0.00 C ATOM 601 O GLY A 259 2.329 7.746 -4.926 1.00 0.00 O ATOM 0 H GLY A 259 0.244 10.463 -3.997 1.00 0.00 H new ATOM 0 HA2 GLY A 259 -0.551 8.506 -4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 259 -0.121 9.208 -6.350 1.00 0.00 H new ATOM 605 N LEU A 260 1.018 6.907 -6.550 1.00 0.00 N ATOM 606 CA LEU A 260 1.916 5.798 -6.854 1.00 0.00 C ATOM 607 C LEU A 260 1.739 5.333 -8.296 1.00 0.00 C ATOM 608 O LEU A 260 0.723 5.617 -8.931 1.00 0.00 O ATOM 609 CB LEU A 260 1.663 4.633 -5.896 1.00 0.00 C ATOM 610 CG LEU A 260 1.676 4.976 -4.405 1.00 0.00 C ATOM 611 CD1 LEU A 260 1.037 3.858 -3.596 1.00 0.00 C ATOM 612 CD2 LEU A 260 3.097 5.236 -3.930 1.00 0.00 C ATOM 0 H LEU A 260 0.173 6.933 -7.120 1.00 0.00 H new ATOM 0 HA LEU A 260 2.941 6.148 -6.728 1.00 0.00 H new ATOM 0 HB2 LEU A 260 0.696 4.192 -6.139 1.00 0.00 H new ATOM 0 HB3 LEU A 260 2.417 3.868 -6.079 1.00 0.00 H new ATOM 0 HG LEU A 260 1.093 5.885 -4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 260 1.055 4.119 -2.538 1.00 0.00 H new ATOM 0 HD12 LEU A 260 0.005 3.720 -3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 260 1.593 2.933 -3.751 1.00 0.00 H new ATOM 0 HD21 LEU A 260 3.087 5.478 -2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 260 3.704 4.345 -4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 260 3.520 6.071 -4.489 1.00 0.00 H new ATOM 624 N LYS A 261 2.733 4.614 -8.807 1.00 0.00 N ATOM 625 CA LYS A 261 2.687 4.106 -10.172 1.00 0.00 C ATOM 626 C LYS A 261 2.996 2.612 -10.207 1.00 0.00 C ATOM 627 O LYS A 261 3.882 2.134 -9.498 1.00 0.00 O ATOM 628 CB LYS A 261 3.682 4.863 -11.055 1.00 0.00 C ATOM 629 CG LYS A 261 4.002 4.153 -12.359 1.00 0.00 C ATOM 630 CD LYS A 261 4.565 5.114 -13.393 1.00 0.00 C ATOM 631 CE LYS A 261 6.079 5.220 -13.289 1.00 0.00 C ATOM 632 NZ LYS A 261 6.525 5.439 -11.885 1.00 0.00 N ATOM 0 H LYS A 261 3.581 4.370 -8.295 1.00 0.00 H new ATOM 0 HA LYS A 261 1.679 4.261 -10.556 1.00 0.00 H new ATOM 0 HB2 LYS A 261 3.278 5.850 -11.279 1.00 0.00 H new ATOM 0 HB3 LYS A 261 4.606 5.015 -10.498 1.00 0.00 H new ATOM 0 HG2 LYS A 261 4.721 3.355 -12.173 1.00 0.00 H new ATOM 0 HG3 LYS A 261 3.099 3.684 -12.750 1.00 0.00 H new ATOM 0 HD2 LYS A 261 4.291 4.777 -14.392 1.00 0.00 H new ATOM 0 HD3 LYS A 261 4.120 6.099 -13.256 1.00 0.00 H new ATOM 0 HE2 LYS A 261 6.534 4.309 -13.677 1.00 0.00 H new ATOM 0 HE3 LYS A 261 6.429 6.042 -13.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 261 7.548 5.624 -11.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 261 6.020 6.255 -11.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 261 6.318 4.591 -11.319 1.00 0.00 H new ATOM 646 N CYS A 262 2.261 1.880 -11.038 1.00 0.00 N ATOM 647 CA CYS A 262 2.456 0.441 -11.166 1.00 0.00 C ATOM 648 C CYS A 262 3.447 0.124 -12.283 1.00 0.00 C ATOM 649 O CYS A 262 3.179 0.384 -13.456 1.00 0.00 O ATOM 650 CB CYS A 262 1.121 -0.253 -11.442 1.00 0.00 C ATOM 651 SG CYS A 262 1.104 -2.025 -11.021 1.00 0.00 S ATOM 0 H CYS A 262 1.525 2.260 -11.633 1.00 0.00 H new ATOM 0 HA CYS A 262 2.863 0.069 -10.226 1.00 0.00 H new ATOM 0 HB2 CYS A 262 0.338 0.251 -10.876 1.00 0.00 H new ATOM 0 HB3 CYS A 262 0.876 -0.139 -12.498 1.00 0.00 H new ATOM 0 HG CYS A 262 2.316 -2.494 -11.068 1.00 0.00 H new ATOM 656 N ASP A 263 4.591 -0.438 -11.909 1.00 0.00 N ATOM 657 CA ASP A 263 5.621 -0.791 -12.879 1.00 0.00 C ATOM 658 C ASP A 263 5.264 -2.085 -13.604 1.00 0.00 C ATOM 659 O ASP A 263 6.064 -2.620 -14.370 1.00 0.00 O ATOM 660 CB ASP A 263 6.976 -0.940 -12.184 1.00 0.00 C ATOM 661 CG ASP A 263 8.136 -0.613 -13.103 1.00 0.00 C ATOM 662 OD1 ASP A 263 7.904 0.032 -14.146 1.00 0.00 O ATOM 663 OD2 ASP A 263 9.278 -1.005 -12.780 1.00 0.00 O ATOM 0 H ASP A 263 4.828 -0.659 -10.942 1.00 0.00 H new ATOM 0 HA ASP A 263 5.684 0.012 -13.614 1.00 0.00 H new ATOM 0 HB2 ASP A 263 7.009 -0.284 -11.314 1.00 0.00 H new ATOM 0 HB3 ASP A 263 7.083 -1.961 -11.818 1.00 0.00 H new ATOM 668 N ALA A 264 4.056 -2.582 -13.357 1.00 0.00 N ATOM 669 CA ALA A 264 3.592 -3.812 -13.987 1.00 0.00 C ATOM 670 C ALA A 264 2.632 -3.513 -15.133 1.00 0.00 C ATOM 671 O ALA A 264 2.930 -3.792 -16.295 1.00 0.00 O ATOM 672 CB ALA A 264 2.925 -4.713 -12.958 1.00 0.00 C ATOM 0 H ALA A 264 3.381 -2.151 -12.725 1.00 0.00 H new ATOM 0 HA ALA A 264 4.458 -4.329 -14.399 1.00 0.00 H new ATOM 0 HB1 ALA A 264 2.583 -5.628 -13.442 1.00 0.00 H new ATOM 0 HB2 ALA A 264 3.641 -4.963 -12.175 1.00 0.00 H new ATOM 0 HB3 ALA A 264 2.072 -4.195 -12.519 1.00 0.00 H new ATOM 678 N CYS A 265 1.478 -2.944 -14.800 1.00 0.00 N ATOM 679 CA CYS A 265 0.473 -2.608 -15.801 1.00 0.00 C ATOM 680 C CYS A 265 0.632 -1.164 -16.267 1.00 0.00 C ATOM 681 O CYS A 265 0.496 -0.865 -17.453 1.00 0.00 O ATOM 682 CB CYS A 265 -0.932 -2.822 -15.234 1.00 0.00 C ATOM 683 SG CYS A 265 -1.304 -1.809 -13.767 1.00 0.00 S ATOM 0 H CYS A 265 1.216 -2.706 -13.843 1.00 0.00 H new ATOM 0 HA CYS A 265 0.615 -3.265 -16.659 1.00 0.00 H new ATOM 0 HB2 CYS A 265 -1.663 -2.599 -16.011 1.00 0.00 H new ATOM 0 HB3 CYS A 265 -1.052 -3.874 -14.976 1.00 0.00 H new ATOM 0 HG CYS A 265 -0.375 -1.980 -12.874 1.00 0.00 H new ATOM 688 N GLY A 266 0.920 -0.272 -15.324 1.00 0.00 N ATOM 689 CA GLY A 266 1.092 1.130 -15.658 1.00 0.00 C ATOM 690 C GLY A 266 -0.096 1.975 -15.243 1.00 0.00 C ATOM 691 O GLY A 266 -0.441 2.946 -15.916 1.00 0.00 O ATOM 0 H GLY A 266 1.037 -0.495 -14.336 1.00 0.00 H new ATOM 0 HA2 GLY A 266 1.991 1.509 -15.171 1.00 0.00 H new ATOM 0 HA3 GLY A 266 1.246 1.228 -16.733 1.00 0.00 H new ATOM 695 N MET A 267 -0.724 1.604 -14.132 1.00 0.00 N ATOM 696 CA MET A 267 -1.882 2.335 -13.629 1.00 0.00 C ATOM 697 C MET A 267 -1.514 3.153 -12.394 1.00 0.00 C ATOM 698 O MET A 267 -1.096 2.602 -11.376 1.00 0.00 O ATOM 699 CB MET A 267 -3.017 1.367 -13.294 1.00 0.00 C ATOM 700 CG MET A 267 -4.323 2.061 -12.940 1.00 0.00 C ATOM 701 SD MET A 267 -5.415 1.022 -11.950 1.00 0.00 S ATOM 702 CE MET A 267 -4.336 0.602 -10.583 1.00 0.00 C ATOM 0 H MET A 267 -0.451 0.802 -13.563 1.00 0.00 H new ATOM 0 HA MET A 267 -2.216 3.018 -14.410 1.00 0.00 H new ATOM 0 HB2 MET A 267 -3.185 0.708 -14.146 1.00 0.00 H new ATOM 0 HB3 MET A 267 -2.712 0.737 -12.459 1.00 0.00 H new ATOM 0 HG2 MET A 267 -4.106 2.978 -12.393 1.00 0.00 H new ATOM 0 HG3 MET A 267 -4.836 2.351 -13.857 1.00 0.00 H new ATOM 0 HE1 MET A 267 -4.899 0.641 -9.650 1.00 0.00 H new ATOM 0 HE2 MET A 267 -3.941 -0.404 -10.727 1.00 0.00 H new ATOM 0 HE3 MET A 267 -3.511 1.313 -10.539 1.00 0.00 H new ATOM 712 N ASN A 268 -1.671 4.469 -12.493 1.00 0.00 N ATOM 713 CA ASN A 268 -1.354 5.361 -11.384 1.00 0.00 C ATOM 714 C ASN A 268 -2.554 5.523 -10.456 1.00 0.00 C ATOM 715 O ASN A 268 -3.694 5.625 -10.909 1.00 0.00 O ATOM 716 CB ASN A 268 -0.916 6.729 -11.912 1.00 0.00 C ATOM 717 CG ASN A 268 0.160 6.621 -12.975 1.00 0.00 C ATOM 718 OD1 ASN A 268 0.955 5.681 -12.976 1.00 0.00 O ATOM 719 ND2 ASN A 268 0.189 7.585 -13.887 1.00 0.00 N ATOM 0 H ASN A 268 -2.016 4.941 -13.329 1.00 0.00 H new ATOM 0 HA ASN A 268 -0.535 4.918 -10.817 1.00 0.00 H new ATOM 0 HB2 ASN A 268 -1.780 7.250 -12.325 1.00 0.00 H new ATOM 0 HB3 ASN A 268 -0.546 7.333 -11.084 1.00 0.00 H new ATOM 0 HD21 ASN A 268 0.890 7.566 -14.628 1.00 0.00 H new ATOM 0 HD22 ASN A 268 -0.490 8.345 -13.847 1.00 0.00 H new ATOM 726 N VAL A 269 -2.289 5.546 -9.153 1.00 0.00 N ATOM 727 CA VAL A 269 -3.346 5.696 -8.161 1.00 0.00 C ATOM 728 C VAL A 269 -2.829 6.399 -6.910 1.00 0.00 C ATOM 729 O VAL A 269 -1.621 6.501 -6.697 1.00 0.00 O ATOM 730 CB VAL A 269 -3.940 4.332 -7.761 1.00 0.00 C ATOM 731 CG1 VAL A 269 -4.253 3.503 -8.997 1.00 0.00 C ATOM 732 CG2 VAL A 269 -2.988 3.588 -6.837 1.00 0.00 C ATOM 0 H VAL A 269 -1.351 5.463 -8.761 1.00 0.00 H new ATOM 0 HA VAL A 269 -4.127 6.303 -8.620 1.00 0.00 H new ATOM 0 HB VAL A 269 -4.872 4.504 -7.223 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -4.672 2.543 -8.695 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -4.974 4.034 -9.618 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -3.338 3.337 -9.565 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -3.423 2.627 -6.564 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -2.039 3.425 -7.347 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -2.819 4.179 -5.937 1.00 0.00 H new ATOM 742 N HIS A 270 -3.753 6.883 -6.085 1.00 0.00 N ATOM 743 CA HIS A 270 -3.391 7.576 -4.854 1.00 0.00 C ATOM 744 C HIS A 270 -2.748 6.615 -3.859 1.00 0.00 C ATOM 745 O HIS A 270 -2.532 5.441 -4.163 1.00 0.00 O ATOM 746 CB HIS A 270 -4.625 8.226 -4.228 1.00 0.00 C ATOM 747 CG HIS A 270 -4.939 9.579 -4.790 1.00 0.00 C ATOM 748 ND1 HIS A 270 -6.035 9.826 -5.589 1.00 0.00 N ATOM 749 CD2 HIS A 270 -4.294 10.762 -4.662 1.00 0.00 C ATOM 750 CE1 HIS A 270 -6.050 11.102 -5.930 1.00 0.00 C ATOM 751 NE2 HIS A 270 -5.004 11.692 -5.380 1.00 0.00 N ATOM 0 H HIS A 270 -4.757 6.808 -6.247 1.00 0.00 H new ATOM 0 HA HIS A 270 -2.667 8.352 -5.102 1.00 0.00 H new ATOM 0 HB2 HIS A 270 -5.484 7.572 -4.375 1.00 0.00 H new ATOM 0 HB3 HIS A 270 -4.473 8.315 -3.152 1.00 0.00 H new ATOM 0 HD2 HIS A 270 -3.389 10.941 -4.100 1.00 0.00 H new ATOM 0 HE1 HIS A 270 -6.791 11.581 -6.552 1.00 0.00 H new ATOM 0 HE2 HIS A 270 -4.763 12.679 -5.474 1.00 0.00 H new ATOM 759 N HIS A 271 -2.442 7.121 -2.668 1.00 0.00 N ATOM 760 CA HIS A 271 -1.823 6.307 -1.628 1.00 0.00 C ATOM 761 C HIS A 271 -2.832 5.332 -1.028 1.00 0.00 C ATOM 762 O HIS A 271 -2.490 4.199 -0.691 1.00 0.00 O ATOM 763 CB HIS A 271 -1.244 7.200 -0.530 1.00 0.00 C ATOM 764 CG HIS A 271 -0.259 8.209 -1.035 1.00 0.00 C ATOM 765 ND1 HIS A 271 1.005 7.873 -1.471 1.00 0.00 N ATOM 766 CD2 HIS A 271 -0.360 9.551 -1.174 1.00 0.00 C ATOM 767 CE1 HIS A 271 1.641 8.966 -1.854 1.00 0.00 C ATOM 768 NE2 HIS A 271 0.834 9.998 -1.685 1.00 0.00 N ATOM 0 H HIS A 271 -2.613 8.090 -2.400 1.00 0.00 H new ATOM 0 HA HIS A 271 -1.016 5.733 -2.083 1.00 0.00 H new ATOM 0 HB2 HIS A 271 -2.060 7.721 -0.029 1.00 0.00 H new ATOM 0 HB3 HIS A 271 -0.758 6.573 0.218 1.00 0.00 H new ATOM 0 HD1 HIS A 271 1.389 6.928 -1.494 1.00 0.00 H new ATOM 0 HD2 HIS A 271 -1.219 10.158 -0.929 1.00 0.00 H new ATOM 0 HE1 HIS A 271 2.649 9.008 -2.240 1.00 0.00 H new ATOM 776 N ARG A 272 -4.076 5.782 -0.898 1.00 0.00 N ATOM 777 CA ARG A 272 -5.134 4.950 -0.337 1.00 0.00 C ATOM 778 C ARG A 272 -5.905 4.233 -1.441 1.00 0.00 C ATOM 779 O ARG A 272 -6.234 3.053 -1.319 1.00 0.00 O ATOM 780 CB ARG A 272 -6.092 5.800 0.500 1.00 0.00 C ATOM 781 CG ARG A 272 -5.664 5.950 1.951 1.00 0.00 C ATOM 782 CD ARG A 272 -4.160 6.141 2.071 1.00 0.00 C ATOM 783 NE ARG A 272 -3.451 4.866 2.137 1.00 0.00 N ATOM 784 CZ ARG A 272 -2.134 4.764 2.280 1.00 0.00 C ATOM 785 NH1 ARG A 272 -1.388 5.856 2.373 1.00 0.00 N ATOM 786 NH2 ARG A 272 -1.561 3.568 2.331 1.00 0.00 N ATOM 0 H ARG A 272 -4.376 6.717 -1.173 1.00 0.00 H new ATOM 0 HA ARG A 272 -4.670 4.200 0.304 1.00 0.00 H new ATOM 0 HB2 ARG A 272 -6.174 6.789 0.050 1.00 0.00 H new ATOM 0 HB3 ARG A 272 -7.085 5.352 0.467 1.00 0.00 H new ATOM 0 HG2 ARG A 272 -6.177 6.802 2.397 1.00 0.00 H new ATOM 0 HG3 ARG A 272 -5.966 5.067 2.514 1.00 0.00 H new ATOM 0 HD2 ARG A 272 -3.798 6.714 1.217 1.00 0.00 H new ATOM 0 HD3 ARG A 272 -3.939 6.726 2.964 1.00 0.00 H new ATOM 0 HE ARG A 272 -3.997 4.007 2.070 1.00 0.00 H new ATOM 0 HH11 ARG A 272 -1.825 6.777 2.335 1.00 0.00 H new ATOM 0 HH12 ARG A 272 -0.377 5.775 2.483 1.00 0.00 H new ATOM 0 HH21 ARG A 272 -2.132 2.726 2.260 1.00 0.00 H new ATOM 0 HH22 ARG A 272 -0.550 3.491 2.441 1.00 0.00 H new ATOM 800 N CYS A 273 -6.192 4.955 -2.520 1.00 0.00 N ATOM 801 CA CYS A 273 -6.925 4.390 -3.646 1.00 0.00 C ATOM 802 C CYS A 273 -6.328 3.050 -4.067 1.00 0.00 C ATOM 803 O CYS A 273 -7.001 2.229 -4.690 1.00 0.00 O ATOM 804 CB CYS A 273 -6.912 5.361 -4.828 1.00 0.00 C ATOM 805 SG CYS A 273 -7.963 6.831 -4.596 1.00 0.00 S ATOM 0 H CYS A 273 -5.928 5.933 -2.638 1.00 0.00 H new ATOM 0 HA CYS A 273 -7.955 4.225 -3.331 1.00 0.00 H new ATOM 0 HB2 CYS A 273 -5.887 5.685 -5.006 1.00 0.00 H new ATOM 0 HB3 CYS A 273 -7.239 4.831 -5.723 1.00 0.00 H new ATOM 0 HG CYS A 273 -8.240 7.353 -5.754 1.00 0.00 H new ATOM 810 N GLN A 274 -5.063 2.838 -3.721 1.00 0.00 N ATOM 811 CA GLN A 274 -4.375 1.598 -4.063 1.00 0.00 C ATOM 812 C GLN A 274 -5.024 0.406 -3.368 1.00 0.00 C ATOM 813 O GLN A 274 -5.185 -0.661 -3.961 1.00 0.00 O ATOM 814 CB GLN A 274 -2.898 1.687 -3.679 1.00 0.00 C ATOM 815 CG GLN A 274 -2.620 1.292 -2.237 1.00 0.00 C ATOM 816 CD GLN A 274 -1.141 1.310 -1.902 1.00 0.00 C ATOM 817 OE1 GLN A 274 -0.527 0.263 -1.695 1.00 0.00 O ATOM 818 NE2 GLN A 274 -0.562 2.504 -1.845 1.00 0.00 N ATOM 0 H GLN A 274 -4.493 3.508 -3.204 1.00 0.00 H new ATOM 0 HA GLN A 274 -4.454 1.453 -5.140 1.00 0.00 H new ATOM 0 HB2 GLN A 274 -2.319 1.043 -4.341 1.00 0.00 H new ATOM 0 HB3 GLN A 274 -2.550 2.707 -3.841 1.00 0.00 H new ATOM 0 HG2 GLN A 274 -3.148 1.973 -1.569 1.00 0.00 H new ATOM 0 HG3 GLN A 274 -3.018 0.294 -2.054 1.00 0.00 H new ATOM 0 HE21 GLN A 274 -1.110 3.346 -2.024 1.00 0.00 H new ATOM 0 HE22 GLN A 274 0.431 2.579 -1.622 1.00 0.00 H new ATOM 827 N THR A 275 -5.395 0.594 -2.105 1.00 0.00 N ATOM 828 CA THR A 275 -6.024 -0.466 -1.327 1.00 0.00 C ATOM 829 C THR A 275 -7.471 -0.679 -1.759 1.00 0.00 C ATOM 830 O THR A 275 -8.137 -1.605 -1.297 1.00 0.00 O ATOM 831 CB THR A 275 -5.991 -0.152 0.180 1.00 0.00 C ATOM 832 OG1 THR A 275 -6.346 -1.318 0.931 1.00 0.00 O ATOM 833 CG2 THR A 275 -6.945 0.985 0.518 1.00 0.00 C ATOM 0 H THR A 275 -5.271 1.471 -1.599 1.00 0.00 H new ATOM 0 HA THR A 275 -5.454 -1.376 -1.513 1.00 0.00 H new ATOM 0 HB THR A 275 -4.978 0.155 0.442 1.00 0.00 H new ATOM 0 HG1 THR A 275 -7.063 -1.799 0.468 1.00 0.00 H new ATOM 0 HG21 THR A 275 -6.904 1.188 1.588 1.00 0.00 H new ATOM 0 HG22 THR A 275 -6.655 1.880 -0.033 1.00 0.00 H new ATOM 0 HG23 THR A 275 -7.961 0.702 0.241 1.00 0.00 H new ATOM 841 N LYS A 276 -7.951 0.183 -2.648 1.00 0.00 N ATOM 842 CA LYS A 276 -9.319 0.089 -3.145 1.00 0.00 C ATOM 843 C LYS A 276 -9.368 -0.684 -4.459 1.00 0.00 C ATOM 844 O LYS A 276 -10.441 -1.071 -4.923 1.00 0.00 O ATOM 845 CB LYS A 276 -9.910 1.486 -3.340 1.00 0.00 C ATOM 846 CG LYS A 276 -9.784 2.377 -2.116 1.00 0.00 C ATOM 847 CD LYS A 276 -10.753 3.546 -2.175 1.00 0.00 C ATOM 848 CE LYS A 276 -11.156 4.007 -0.783 1.00 0.00 C ATOM 849 NZ LYS A 276 -12.367 4.873 -0.814 1.00 0.00 N ATOM 0 H LYS A 276 -7.413 0.956 -3.040 1.00 0.00 H new ATOM 0 HA LYS A 276 -9.912 -0.449 -2.405 1.00 0.00 H new ATOM 0 HB2 LYS A 276 -9.413 1.967 -4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 276 -10.963 1.392 -3.604 1.00 0.00 H new ATOM 0 HG2 LYS A 276 -9.974 1.791 -1.217 1.00 0.00 H new ATOM 0 HG3 LYS A 276 -8.763 2.753 -2.042 1.00 0.00 H new ATOM 0 HD2 LYS A 276 -10.293 4.374 -2.715 1.00 0.00 H new ATOM 0 HD3 LYS A 276 -11.642 3.255 -2.735 1.00 0.00 H new ATOM 0 HE2 LYS A 276 -11.347 3.138 -0.154 1.00 0.00 H new ATOM 0 HE3 LYS A 276 -10.330 4.554 -0.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 276 -12.609 5.166 0.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 276 -12.177 5.715 -1.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 276 -13.162 4.343 -1.224 1.00 0.00 H new ATOM 863 N VAL A 277 -8.200 -0.908 -5.053 1.00 0.00 N ATOM 864 CA VAL A 277 -8.111 -1.637 -6.313 1.00 0.00 C ATOM 865 C VAL A 277 -8.059 -3.142 -6.074 1.00 0.00 C ATOM 866 O VAL A 277 -7.932 -3.596 -4.937 1.00 0.00 O ATOM 867 CB VAL A 277 -6.869 -1.213 -7.119 1.00 0.00 C ATOM 868 CG1 VAL A 277 -7.111 -1.398 -8.609 1.00 0.00 C ATOM 869 CG2 VAL A 277 -6.497 0.228 -6.806 1.00 0.00 C ATOM 0 H VAL A 277 -7.303 -0.595 -4.682 1.00 0.00 H new ATOM 0 HA VAL A 277 -9.007 -1.394 -6.884 1.00 0.00 H new ATOM 0 HB VAL A 277 -6.034 -1.851 -6.829 1.00 0.00 H new ATOM 0 HG11 VAL A 277 -6.223 -1.093 -9.162 1.00 0.00 H new ATOM 0 HG12 VAL A 277 -7.325 -2.447 -8.815 1.00 0.00 H new ATOM 0 HG13 VAL A 277 -7.959 -0.787 -8.919 1.00 0.00 H new ATOM 0 HG21 VAL A 277 -5.617 0.511 -7.384 1.00 0.00 H new ATOM 0 HG22 VAL A 277 -7.328 0.883 -7.066 1.00 0.00 H new ATOM 0 HG23 VAL A 277 -6.278 0.325 -5.743 1.00 0.00 H new ATOM 879 N ALA A 278 -8.158 -3.910 -7.153 1.00 0.00 N ATOM 880 CA ALA A 278 -8.119 -5.365 -7.062 1.00 0.00 C ATOM 881 C ALA A 278 -6.700 -5.889 -7.249 1.00 0.00 C ATOM 882 O ALA A 278 -5.790 -5.136 -7.595 1.00 0.00 O ATOM 883 CB ALA A 278 -9.053 -5.983 -8.092 1.00 0.00 C ATOM 0 H ALA A 278 -8.266 -3.549 -8.101 1.00 0.00 H new ATOM 0 HA ALA A 278 -8.455 -5.651 -6.065 1.00 0.00 H new ATOM 0 HB1 ALA A 278 -9.014 -7.069 -8.013 1.00 0.00 H new ATOM 0 HB2 ALA A 278 -10.072 -5.642 -7.910 1.00 0.00 H new ATOM 0 HB3 ALA A 278 -8.743 -5.681 -9.092 1.00 0.00 H new ATOM 889 N ASN A 279 -6.518 -7.185 -7.017 1.00 0.00 N ATOM 890 CA ASN A 279 -5.208 -7.810 -7.160 1.00 0.00 C ATOM 891 C ASN A 279 -5.131 -8.626 -8.447 1.00 0.00 C ATOM 892 O ASN A 279 -4.742 -9.795 -8.432 1.00 0.00 O ATOM 893 CB ASN A 279 -4.915 -8.708 -5.956 1.00 0.00 C ATOM 894 CG ASN A 279 -3.466 -9.153 -5.905 1.00 0.00 C ATOM 895 OD1 ASN A 279 -2.893 -9.558 -6.917 1.00 0.00 O ATOM 896 ND2 ASN A 279 -2.865 -9.079 -4.723 1.00 0.00 N ATOM 0 H ASN A 279 -7.261 -7.822 -6.729 1.00 0.00 H new ATOM 0 HA ASN A 279 -4.459 -7.019 -7.207 1.00 0.00 H new ATOM 0 HB2 ASN A 279 -5.160 -8.173 -5.039 1.00 0.00 H new ATOM 0 HB3 ASN A 279 -5.560 -9.585 -5.995 1.00 0.00 H new ATOM 0 HD21 ASN A 279 -1.890 -9.364 -4.628 1.00 0.00 H new ATOM 0 HD22 ASN A 279 -3.378 -8.737 -3.910 1.00 0.00 H new ATOM 903 N LEU A 280 -5.503 -8.002 -9.559 1.00 0.00 N ATOM 904 CA LEU A 280 -5.476 -8.669 -10.856 1.00 0.00 C ATOM 905 C LEU A 280 -4.711 -7.836 -11.880 1.00 0.00 C ATOM 906 O LEU A 280 -5.258 -7.447 -12.913 1.00 0.00 O ATOM 907 CB LEU A 280 -6.901 -8.924 -11.350 1.00 0.00 C ATOM 908 CG LEU A 280 -7.727 -9.918 -10.534 1.00 0.00 C ATOM 909 CD1 LEU A 280 -6.965 -11.222 -10.351 1.00 0.00 C ATOM 910 CD2 LEU A 280 -8.098 -9.322 -9.184 1.00 0.00 C ATOM 0 H LEU A 280 -5.827 -7.035 -9.589 1.00 0.00 H new ATOM 0 HA LEU A 280 -4.964 -9.624 -10.736 1.00 0.00 H new ATOM 0 HB2 LEU A 280 -7.432 -7.972 -11.372 1.00 0.00 H new ATOM 0 HB3 LEU A 280 -6.849 -9.283 -12.378 1.00 0.00 H new ATOM 0 HG LEU A 280 -8.646 -10.131 -11.080 1.00 0.00 H new ATOM 0 HD11 LEU A 280 -7.569 -11.917 -9.768 1.00 0.00 H new ATOM 0 HD12 LEU A 280 -6.750 -11.658 -11.327 1.00 0.00 H new ATOM 0 HD13 LEU A 280 -6.029 -11.026 -9.827 1.00 0.00 H new ATOM 0 HD21 LEU A 280 -8.686 -10.044 -8.617 1.00 0.00 H new ATOM 0 HD22 LEU A 280 -7.190 -9.079 -8.632 1.00 0.00 H new ATOM 0 HD23 LEU A 280 -8.684 -8.415 -9.335 1.00 0.00 H new ATOM 922 N CYS A 281 -3.443 -7.569 -11.589 1.00 0.00 N ATOM 923 CA CYS A 281 -2.601 -6.784 -12.485 1.00 0.00 C ATOM 924 C CYS A 281 -1.991 -7.667 -13.569 1.00 0.00 C ATOM 925 O CYS A 281 -1.398 -8.705 -13.279 1.00 0.00 O ATOM 926 CB CYS A 281 -1.492 -6.086 -11.695 1.00 0.00 C ATOM 927 SG CYS A 281 -0.308 -5.167 -12.731 1.00 0.00 S ATOM 0 H CYS A 281 -2.975 -7.885 -10.739 1.00 0.00 H new ATOM 0 HA CYS A 281 -3.226 -6.030 -12.964 1.00 0.00 H new ATOM 0 HB2 CYS A 281 -1.946 -5.397 -10.983 1.00 0.00 H new ATOM 0 HB3 CYS A 281 -0.949 -6.832 -11.115 1.00 0.00 H new ATOM 0 HG CYS A 281 -0.741 -3.955 -12.914 1.00 0.00 H new ATOM 932 N GLY A 282 -2.141 -7.245 -14.822 1.00 0.00 N ATOM 933 CA GLY A 282 -1.599 -8.008 -15.931 1.00 0.00 C ATOM 934 C GLY A 282 -2.582 -9.030 -16.467 1.00 0.00 C ATOM 935 O GLY A 282 -2.426 -9.525 -17.583 1.00 0.00 O ATOM 0 H GLY A 282 -2.628 -6.389 -15.088 1.00 0.00 H new ATOM 0 HA2 GLY A 282 -1.315 -7.326 -16.733 1.00 0.00 H new ATOM 0 HA3 GLY A 282 -0.690 -8.517 -15.608 1.00 0.00 H new ATOM 939 N ILE A 283 -3.597 -9.347 -15.669 1.00 0.00 N ATOM 940 CA ILE A 283 -4.608 -10.317 -16.070 1.00 0.00 C ATOM 941 C ILE A 283 -5.738 -9.645 -16.843 1.00 0.00 C ATOM 942 O ILE A 283 -6.386 -10.269 -17.682 1.00 0.00 O ATOM 943 CB ILE A 283 -5.199 -11.051 -14.852 1.00 0.00 C ATOM 944 CG1 ILE A 283 -4.085 -11.707 -14.034 1.00 0.00 C ATOM 945 CG2 ILE A 283 -6.216 -12.089 -15.301 1.00 0.00 C ATOM 946 CD1 ILE A 283 -4.538 -12.930 -13.268 1.00 0.00 C ATOM 0 H ILE A 283 -3.740 -8.946 -14.742 1.00 0.00 H new ATOM 0 HA ILE A 283 -4.111 -11.042 -16.714 1.00 0.00 H new ATOM 0 HB ILE A 283 -5.707 -10.323 -14.220 1.00 0.00 H new ATOM 0 HG12 ILE A 283 -3.271 -11.988 -14.703 1.00 0.00 H new ATOM 0 HG13 ILE A 283 -3.683 -10.977 -13.332 1.00 0.00 H new ATOM 0 HG21 ILE A 283 -6.625 -12.599 -14.429 1.00 0.00 H new ATOM 0 HG22 ILE A 283 -7.023 -11.597 -15.844 1.00 0.00 H new ATOM 0 HG23 ILE A 283 -5.731 -12.816 -15.952 1.00 0.00 H new ATOM 0 HD11 ILE A 283 -3.697 -13.343 -12.711 1.00 0.00 H new ATOM 0 HD12 ILE A 283 -5.331 -12.652 -12.574 1.00 0.00 H new ATOM 0 HD13 ILE A 283 -4.913 -13.678 -13.966 1.00 0.00 H new ATOM 958 N ASN A 284 -5.969 -8.369 -16.553 1.00 0.00 N ATOM 959 CA ASN A 284 -7.020 -7.611 -17.221 1.00 0.00 C ATOM 960 C ASN A 284 -6.434 -6.439 -18.002 1.00 0.00 C ATOM 961 O ASN A 284 -7.108 -5.838 -18.838 1.00 0.00 O ATOM 962 CB ASN A 284 -8.037 -7.099 -16.199 1.00 0.00 C ATOM 963 CG ASN A 284 -7.435 -6.090 -15.240 1.00 0.00 C ATOM 964 OD1 ASN A 284 -6.565 -5.304 -15.614 1.00 0.00 O ATOM 965 ND2 ASN A 284 -7.898 -6.108 -13.995 1.00 0.00 N ATOM 0 H ASN A 284 -5.442 -7.838 -15.859 1.00 0.00 H new ATOM 0 HA ASN A 284 -7.523 -8.277 -17.922 1.00 0.00 H new ATOM 0 HB2 ASN A 284 -8.876 -6.642 -16.723 1.00 0.00 H new ATOM 0 HB3 ASN A 284 -8.435 -7.941 -15.633 1.00 0.00 H new ATOM 0 HD21 ASN A 284 -7.531 -5.452 -13.305 1.00 0.00 H new ATOM 0 HD22 ASN A 284 -8.620 -6.777 -13.729 1.00 0.00 H new