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 245 CYS SG : rot 141:sc= 0.538 USER MOD Set 1.2: A 247 HIS : no HD1:sc= -2.62 X(o=-4.7,f=-4.2) USER MOD Set 1.3: A 248 CYS SG : rot -75:sc= 0.0807 USER MOD Set 1.4: A 250 THR OG1 : rot -105:sc= 1.31 USER MOD Set 1.5: A 270 HIS : no HD1:sc= -2.48! C(o=-4.7!,f=-5.7!) USER MOD Set 1.6: A 273 CYS SG : rot -165:sc= -1.52 USER MOD Set 2.1: A 232 HIS : no HE2:sc= -0.531 K(o=-5.7,f=-6.2) USER MOD Set 2.2: A 262 CYS SG : rot -26:sc= -2.08 USER MOD Set 2.3: A 265 CYS SG : rot -53:sc= 0.00016 USER MOD Set 2.4: A 267 MET CE :methyl 174:sc= -0.844 (180deg=-0.863) USER MOD Set 2.5: A 281 CYS SG : rot 118:sc= -2.23! USER MOD Single : A 230 MET CE :methyl -164:sc= -0.144 (180deg=-0.735) USER MOD Single : A 235 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0556) USER MOD Single : A 237 TYR OH : rot 180:sc= 0 USER MOD Single : A 238 ASN : amide:sc= -1.43 K(o=-1.4,f=-0.73) USER MOD Single : A 239 TYR OH : rot -86:sc= 1.05 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 258 GLN : amide:sc= -0.138 K(o=-0.14,f=1) USER MOD Single : A 261 LYS NZ :NH3+ -169:sc= 0.713 (180deg=0.536) USER MOD Single : A 268 ASN : amide:sc= -0.38 X(o=-0.38,f=-0.38) USER MOD Single : A 271 HIS : no HD1:sc= -0.0359 K(o=-0.036,f=-0.89) USER MOD Single : A 274 GLN : amide:sc= -1.9 K(o=-1.9,f=-0.68) USER MOD Single : A 275 THR OG1 : rot -59:sc= 0.67 USER MOD Single : A 276 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 279 ASN : amide:sc= -1.47 X(o=-1.5,f=-2!) USER MOD Single : A 284 ASN : amide:sc=-0.00198 X(o=-0.002,f=-0.042) USER MOD ----------------------------------------------------------------- ATOM 107 N ASP A 229 -2.176 -14.382 -7.521 1.00 0.00 N ATOM 108 CA ASP A 229 -2.649 -13.002 -7.523 1.00 0.00 C ATOM 109 C ASP A 229 -1.480 -12.027 -7.626 1.00 0.00 C ATOM 110 O ASP A 229 -0.653 -11.937 -6.718 1.00 0.00 O ATOM 111 CB ASP A 229 -3.458 -12.716 -6.257 1.00 0.00 C ATOM 112 CG ASP A 229 -2.901 -13.428 -5.041 1.00 0.00 C ATOM 113 OD1 ASP A 229 -1.673 -13.648 -4.992 1.00 0.00 O ATOM 114 OD2 ASP A 229 -3.694 -13.764 -4.136 1.00 0.00 O ATOM 0 HA ASP A 229 -3.291 -12.865 -8.393 1.00 0.00 H new ATOM 0 HB2 ASP A 229 -3.470 -11.642 -6.072 1.00 0.00 H new ATOM 0 HB3 ASP A 229 -4.492 -13.024 -6.413 1.00 0.00 H new ATOM 119 N MET A 230 -1.417 -11.301 -8.737 1.00 0.00 N ATOM 120 CA MET A 230 -0.349 -10.334 -8.958 1.00 0.00 C ATOM 121 C MET A 230 -0.850 -8.910 -8.735 1.00 0.00 C ATOM 122 O MET A 230 -1.444 -8.290 -9.617 1.00 0.00 O ATOM 123 CB MET A 230 0.211 -10.473 -10.375 1.00 0.00 C ATOM 124 CG MET A 230 1.252 -11.572 -10.512 1.00 0.00 C ATOM 125 SD MET A 230 2.124 -11.510 -12.089 1.00 0.00 S ATOM 126 CE MET A 230 0.754 -11.319 -13.227 1.00 0.00 C ATOM 0 H MET A 230 -2.093 -11.364 -9.498 1.00 0.00 H new ATOM 0 HA MET A 230 0.445 -10.538 -8.240 1.00 0.00 H new ATOM 0 HB2 MET A 230 -0.610 -10.674 -11.063 1.00 0.00 H new ATOM 0 HB3 MET A 230 0.655 -9.524 -10.676 1.00 0.00 H new ATOM 0 HG2 MET A 230 1.973 -11.487 -9.699 1.00 0.00 H new ATOM 0 HG3 MET A 230 0.766 -12.542 -10.408 1.00 0.00 H new ATOM 0 HE1 MET A 230 1.087 -11.548 -14.239 1.00 0.00 H new ATOM 0 HE2 MET A 230 -0.049 -12.000 -12.947 1.00 0.00 H new ATOM 0 HE3 MET A 230 0.389 -10.293 -13.188 1.00 0.00 H new ATOM 136 N PRO A 231 -0.606 -8.379 -7.527 1.00 0.00 N ATOM 137 CA PRO A 231 -1.024 -7.022 -7.161 1.00 0.00 C ATOM 138 C PRO A 231 -0.232 -5.951 -7.901 1.00 0.00 C ATOM 139 O PRO A 231 0.882 -6.198 -8.365 1.00 0.00 O ATOM 140 CB PRO A 231 -0.738 -6.957 -5.659 1.00 0.00 C ATOM 141 CG PRO A 231 0.342 -7.958 -5.435 1.00 0.00 C ATOM 142 CD PRO A 231 0.097 -9.060 -6.428 1.00 0.00 C ATOM 0 HA PRO A 231 -2.066 -6.833 -7.420 1.00 0.00 H new ATOM 0 HB2 PRO A 231 -0.420 -5.958 -5.359 1.00 0.00 H new ATOM 0 HB3 PRO A 231 -1.627 -7.197 -5.076 1.00 0.00 H new ATOM 0 HG2 PRO A 231 1.325 -7.511 -5.583 1.00 0.00 H new ATOM 0 HG3 PRO A 231 0.315 -8.339 -4.414 1.00 0.00 H new ATOM 0 HD2 PRO A 231 1.030 -9.511 -6.766 1.00 0.00 H new ATOM 0 HD3 PRO A 231 -0.507 -9.860 -6.000 1.00 0.00 H new ATOM 150 N HIS A 232 -0.812 -4.760 -8.009 1.00 0.00 N ATOM 151 CA HIS A 232 -0.158 -3.650 -8.693 1.00 0.00 C ATOM 152 C HIS A 232 1.074 -3.186 -7.922 1.00 0.00 C ATOM 153 O HIS A 232 0.980 -2.801 -6.756 1.00 0.00 O ATOM 154 CB HIS A 232 -1.133 -2.485 -8.866 1.00 0.00 C ATOM 155 CG HIS A 232 -2.372 -2.849 -9.625 1.00 0.00 C ATOM 156 ND1 HIS A 232 -2.374 -3.121 -10.977 1.00 0.00 N ATOM 157 CD2 HIS A 232 -3.654 -2.987 -9.213 1.00 0.00 C ATOM 158 CE1 HIS A 232 -3.604 -3.409 -11.364 1.00 0.00 C ATOM 159 NE2 HIS A 232 -4.400 -3.335 -10.312 1.00 0.00 N ATOM 0 H HIS A 232 -1.733 -4.539 -7.632 1.00 0.00 H new ATOM 0 HA HIS A 232 0.160 -3.998 -9.676 1.00 0.00 H new ATOM 0 HB2 HIS A 232 -1.416 -2.110 -7.883 1.00 0.00 H new ATOM 0 HB3 HIS A 232 -0.626 -1.671 -9.384 1.00 0.00 H new ATOM 0 HD1 HIS A 232 -1.554 -3.103 -11.583 1.00 0.00 H new ATOM 0 HD2 HIS A 232 -4.022 -2.849 -8.207 1.00 0.00 H new ATOM 0 HE1 HIS A 232 -3.907 -3.662 -12.369 1.00 0.00 H new ATOM 167 N ARG A 233 2.228 -3.228 -8.580 1.00 0.00 N ATOM 168 CA ARG A 233 3.479 -2.814 -7.955 1.00 0.00 C ATOM 169 C ARG A 233 3.570 -1.293 -7.875 1.00 0.00 C ATOM 170 O ARG A 233 4.551 -0.695 -8.317 1.00 0.00 O ATOM 171 CB ARG A 233 4.671 -3.367 -8.738 1.00 0.00 C ATOM 172 CG ARG A 233 5.035 -4.795 -8.365 1.00 0.00 C ATOM 173 CD ARG A 233 4.277 -5.802 -9.215 1.00 0.00 C ATOM 174 NE ARG A 233 4.772 -7.163 -9.024 1.00 0.00 N ATOM 175 CZ ARG A 233 4.382 -8.198 -9.760 1.00 0.00 C ATOM 176 NH1 ARG A 233 3.495 -8.028 -10.731 1.00 0.00 N ATOM 177 NH2 ARG A 233 4.878 -9.405 -9.525 1.00 0.00 N ATOM 0 H ARG A 233 2.323 -3.544 -9.545 1.00 0.00 H new ATOM 0 HA ARG A 233 3.501 -3.215 -6.942 1.00 0.00 H new ATOM 0 HB2 ARG A 233 4.446 -3.325 -9.804 1.00 0.00 H new ATOM 0 HB3 ARG A 233 5.535 -2.725 -8.569 1.00 0.00 H new ATOM 0 HG2 ARG A 233 6.107 -4.944 -8.492 1.00 0.00 H new ATOM 0 HG3 ARG A 233 4.812 -4.965 -7.312 1.00 0.00 H new ATOM 0 HD2 ARG A 233 3.217 -5.763 -8.964 1.00 0.00 H new ATOM 0 HD3 ARG A 233 4.366 -5.528 -10.266 1.00 0.00 H new ATOM 0 HE ARG A 233 5.455 -7.328 -8.285 1.00 0.00 H new ATOM 0 HH11 ARG A 233 3.111 -7.101 -10.914 1.00 0.00 H new ATOM 0 HH12 ARG A 233 3.197 -8.824 -11.295 1.00 0.00 H new ATOM 0 HH21 ARG A 233 5.560 -9.540 -8.778 1.00 0.00 H new ATOM 0 HH22 ARG A 233 4.578 -10.199 -10.091 1.00 0.00 H new ATOM 191 N PHE A 234 2.539 -0.673 -7.310 1.00 0.00 N ATOM 192 CA PHE A 234 2.502 0.779 -7.174 1.00 0.00 C ATOM 193 C PHE A 234 3.777 1.296 -6.514 1.00 0.00 C ATOM 194 O PHE A 234 4.219 0.770 -5.492 1.00 0.00 O ATOM 195 CB PHE A 234 1.282 1.204 -6.354 1.00 0.00 C ATOM 196 CG PHE A 234 -0.027 0.903 -7.027 1.00 0.00 C ATOM 197 CD1 PHE A 234 -0.211 1.188 -8.371 1.00 0.00 C ATOM 198 CD2 PHE A 234 -1.072 0.335 -6.317 1.00 0.00 C ATOM 199 CE1 PHE A 234 -1.415 0.913 -8.992 1.00 0.00 C ATOM 200 CE2 PHE A 234 -2.278 0.058 -6.933 1.00 0.00 C ATOM 201 CZ PHE A 234 -2.449 0.346 -8.273 1.00 0.00 C ATOM 0 H PHE A 234 1.719 -1.153 -6.939 1.00 0.00 H new ATOM 0 HA PHE A 234 2.429 1.211 -8.172 1.00 0.00 H new ATOM 0 HB2 PHE A 234 1.309 0.699 -5.388 1.00 0.00 H new ATOM 0 HB3 PHE A 234 1.342 2.274 -6.156 1.00 0.00 H new ATOM 0 HD1 PHE A 234 0.595 1.629 -8.939 1.00 0.00 H new ATOM 0 HD2 PHE A 234 -0.943 0.106 -5.270 1.00 0.00 H new ATOM 0 HE1 PHE A 234 -1.547 1.141 -10.039 1.00 0.00 H new ATOM 0 HE2 PHE A 234 -3.085 -0.383 -6.367 1.00 0.00 H new ATOM 0 HZ PHE A 234 -3.389 0.128 -8.758 1.00 0.00 H new ATOM 211 N LYS A 235 4.365 2.330 -7.106 1.00 0.00 N ATOM 212 CA LYS A 235 5.589 2.921 -6.578 1.00 0.00 C ATOM 213 C LYS A 235 5.539 4.443 -6.665 1.00 0.00 C ATOM 214 O LYS A 235 5.160 5.005 -7.692 1.00 0.00 O ATOM 215 CB LYS A 235 6.805 2.395 -7.344 1.00 0.00 C ATOM 216 CG LYS A 235 7.231 0.999 -6.924 1.00 0.00 C ATOM 217 CD LYS A 235 7.431 0.906 -5.421 1.00 0.00 C ATOM 218 CE LYS A 235 8.217 2.094 -4.888 1.00 0.00 C ATOM 219 NZ LYS A 235 9.573 2.182 -5.500 1.00 0.00 N ATOM 0 H LYS A 235 4.013 2.777 -7.953 1.00 0.00 H new ATOM 0 HA LYS A 235 5.678 2.637 -5.529 1.00 0.00 H new ATOM 0 HB2 LYS A 235 6.579 2.391 -8.410 1.00 0.00 H new ATOM 0 HB3 LYS A 235 7.640 3.080 -7.198 1.00 0.00 H new ATOM 0 HG2 LYS A 235 6.476 0.278 -7.237 1.00 0.00 H new ATOM 0 HG3 LYS A 235 8.157 0.732 -7.433 1.00 0.00 H new ATOM 0 HD2 LYS A 235 6.461 0.859 -4.926 1.00 0.00 H new ATOM 0 HD3 LYS A 235 7.957 -0.018 -5.179 1.00 0.00 H new ATOM 0 HE2 LYS A 235 7.667 3.013 -5.090 1.00 0.00 H new ATOM 0 HE3 LYS A 235 8.312 2.010 -3.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 235 10.270 2.423 -4.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 235 9.822 1.267 -5.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 235 9.575 2.918 -6.235 1.00 0.00 H new ATOM 233 N VAL A 236 5.927 5.106 -5.579 1.00 0.00 N ATOM 234 CA VAL A 236 5.929 6.563 -5.534 1.00 0.00 C ATOM 235 C VAL A 236 6.752 7.147 -6.677 1.00 0.00 C ATOM 236 O VAL A 236 7.923 6.808 -6.850 1.00 0.00 O ATOM 237 CB VAL A 236 6.489 7.082 -4.196 1.00 0.00 C ATOM 238 CG1 VAL A 236 6.820 8.563 -4.293 1.00 0.00 C ATOM 239 CG2 VAL A 236 5.501 6.821 -3.069 1.00 0.00 C ATOM 0 H VAL A 236 6.244 4.657 -4.720 1.00 0.00 H new ATOM 0 HA VAL A 236 4.892 6.884 -5.635 1.00 0.00 H new ATOM 0 HB VAL A 236 7.410 6.543 -3.974 1.00 0.00 H new ATOM 0 HG11 VAL A 236 7.214 8.911 -3.338 1.00 0.00 H new ATOM 0 HG12 VAL A 236 7.566 8.719 -5.072 1.00 0.00 H new ATOM 0 HG13 VAL A 236 5.917 9.122 -4.538 1.00 0.00 H new ATOM 0 HG21 VAL A 236 5.912 7.194 -2.131 1.00 0.00 H new ATOM 0 HG22 VAL A 236 4.562 7.332 -3.282 1.00 0.00 H new ATOM 0 HG23 VAL A 236 5.319 5.749 -2.985 1.00 0.00 H new ATOM 249 N TYR A 237 6.132 8.029 -7.454 1.00 0.00 N ATOM 250 CA TYR A 237 6.806 8.660 -8.582 1.00 0.00 C ATOM 251 C TYR A 237 6.390 10.121 -8.717 1.00 0.00 C ATOM 252 O TYR A 237 5.225 10.467 -8.526 1.00 0.00 O ATOM 253 CB TYR A 237 6.493 7.907 -9.876 1.00 0.00 C ATOM 254 CG TYR A 237 7.325 8.357 -11.055 1.00 0.00 C ATOM 255 CD1 TYR A 237 7.165 9.624 -11.601 1.00 0.00 C ATOM 256 CD2 TYR A 237 8.274 7.514 -11.622 1.00 0.00 C ATOM 257 CE1 TYR A 237 7.923 10.039 -12.679 1.00 0.00 C ATOM 258 CE2 TYR A 237 9.038 7.921 -12.699 1.00 0.00 C ATOM 259 CZ TYR A 237 8.858 9.184 -13.224 1.00 0.00 C ATOM 260 OH TYR A 237 9.617 9.594 -14.297 1.00 0.00 O ATOM 0 H TYR A 237 5.164 8.323 -7.323 1.00 0.00 H new ATOM 0 HA TYR A 237 7.880 8.623 -8.398 1.00 0.00 H new ATOM 0 HB2 TYR A 237 6.654 6.841 -9.714 1.00 0.00 H new ATOM 0 HB3 TYR A 237 5.438 8.037 -10.116 1.00 0.00 H new ATOM 0 HD1 TYR A 237 6.435 10.297 -11.175 1.00 0.00 H new ATOM 0 HD2 TYR A 237 8.416 6.524 -11.214 1.00 0.00 H new ATOM 0 HE1 TYR A 237 7.784 11.027 -13.092 1.00 0.00 H new ATOM 0 HE2 TYR A 237 9.772 7.254 -13.127 1.00 0.00 H new ATOM 0 HH TYR A 237 10.228 8.874 -14.559 1.00 0.00 H new ATOM 270 N ASN A 238 7.353 10.975 -9.048 1.00 0.00 N ATOM 271 CA ASN A 238 7.088 12.401 -9.209 1.00 0.00 C ATOM 272 C ASN A 238 6.979 12.770 -10.685 1.00 0.00 C ATOM 273 O ASN A 238 7.966 12.735 -11.420 1.00 0.00 O ATOM 274 CB ASN A 238 8.195 13.224 -8.547 1.00 0.00 C ATOM 275 CG ASN A 238 9.540 13.031 -9.219 1.00 0.00 C ATOM 276 OD1 ASN A 238 9.988 13.879 -9.991 1.00 0.00 O ATOM 277 ND2 ASN A 238 10.192 11.911 -8.928 1.00 0.00 N ATOM 0 H ASN A 238 8.323 10.705 -9.210 1.00 0.00 H new ATOM 0 HA ASN A 238 6.138 12.626 -8.725 1.00 0.00 H new ATOM 0 HB2 ASN A 238 7.926 14.280 -8.576 1.00 0.00 H new ATOM 0 HB3 ASN A 238 8.273 12.944 -7.497 1.00 0.00 H new ATOM 0 HD21 ASN A 238 11.102 11.726 -9.350 1.00 0.00 H new ATOM 0 HD22 ASN A 238 9.783 11.236 -8.282 1.00 0.00 H new ATOM 284 N TYR A 239 5.772 13.124 -11.113 1.00 0.00 N ATOM 285 CA TYR A 239 5.532 13.499 -12.501 1.00 0.00 C ATOM 286 C TYR A 239 4.993 14.923 -12.596 1.00 0.00 C ATOM 287 O TYR A 239 4.454 15.461 -11.629 1.00 0.00 O ATOM 288 CB TYR A 239 4.548 12.524 -13.152 1.00 0.00 C ATOM 289 CG TYR A 239 3.536 11.952 -12.186 1.00 0.00 C ATOM 290 CD1 TYR A 239 2.715 12.785 -11.434 1.00 0.00 C ATOM 291 CD2 TYR A 239 3.399 10.579 -12.024 1.00 0.00 C ATOM 292 CE1 TYR A 239 1.789 12.266 -10.550 1.00 0.00 C ATOM 293 CE2 TYR A 239 2.475 10.052 -11.144 1.00 0.00 C ATOM 294 CZ TYR A 239 1.672 10.899 -10.409 1.00 0.00 C ATOM 295 OH TYR A 239 0.751 10.378 -9.530 1.00 0.00 O ATOM 0 H TYR A 239 4.944 13.159 -10.518 1.00 0.00 H new ATOM 0 HA TYR A 239 6.483 13.454 -13.032 1.00 0.00 H new ATOM 0 HB2 TYR A 239 4.021 13.036 -13.957 1.00 0.00 H new ATOM 0 HB3 TYR A 239 5.107 11.706 -13.607 1.00 0.00 H new ATOM 0 HD1 TYR A 239 2.803 13.856 -11.543 1.00 0.00 H new ATOM 0 HD2 TYR A 239 4.026 9.912 -12.597 1.00 0.00 H new ATOM 0 HE1 TYR A 239 1.160 12.927 -9.972 1.00 0.00 H new ATOM 0 HE2 TYR A 239 2.381 8.982 -11.032 1.00 0.00 H new ATOM 0 HH TYR A 239 1.146 10.328 -8.634 1.00 0.00 H new ATOM 305 N LYS A 240 5.142 15.528 -13.770 1.00 0.00 N ATOM 306 CA LYS A 240 4.669 16.888 -13.996 1.00 0.00 C ATOM 307 C LYS A 240 3.272 16.884 -14.607 1.00 0.00 C ATOM 308 O LYS A 240 2.336 17.453 -14.044 1.00 0.00 O ATOM 309 CB LYS A 240 5.636 17.641 -14.912 1.00 0.00 C ATOM 310 CG LYS A 240 7.098 17.336 -14.635 1.00 0.00 C ATOM 311 CD LYS A 240 7.640 18.189 -13.500 1.00 0.00 C ATOM 312 CE LYS A 240 7.779 19.646 -13.915 1.00 0.00 C ATOM 313 NZ LYS A 240 8.446 20.461 -12.862 1.00 0.00 N ATOM 0 H LYS A 240 5.587 15.097 -14.580 1.00 0.00 H new ATOM 0 HA LYS A 240 4.623 17.394 -13.032 1.00 0.00 H new ATOM 0 HB2 LYS A 240 5.411 17.390 -15.949 1.00 0.00 H new ATOM 0 HB3 LYS A 240 5.469 18.712 -14.800 1.00 0.00 H new ATOM 0 HG2 LYS A 240 7.209 16.281 -14.384 1.00 0.00 H new ATOM 0 HG3 LYS A 240 7.685 17.513 -15.536 1.00 0.00 H new ATOM 0 HD2 LYS A 240 6.975 18.117 -12.639 1.00 0.00 H new ATOM 0 HD3 LYS A 240 8.611 17.805 -13.186 1.00 0.00 H new ATOM 0 HE2 LYS A 240 8.353 19.707 -14.840 1.00 0.00 H new ATOM 0 HE3 LYS A 240 6.793 20.060 -14.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 8.522 21.447 -13.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 7.885 20.424 -11.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 9.397 20.082 -12.680 1.00 0.00 H new ATOM 327 N SER A 241 3.137 16.239 -15.761 1.00 0.00 N ATOM 328 CA SER A 241 1.854 16.163 -16.450 1.00 0.00 C ATOM 329 C SER A 241 0.729 15.848 -15.469 1.00 0.00 C ATOM 330 O SER A 241 0.929 15.197 -14.444 1.00 0.00 O ATOM 331 CB SER A 241 1.903 15.098 -17.548 1.00 0.00 C ATOM 332 OG SER A 241 2.481 13.897 -17.068 1.00 0.00 O ATOM 0 H SER A 241 3.901 15.761 -16.239 1.00 0.00 H new ATOM 0 HA SER A 241 1.655 17.134 -16.904 1.00 0.00 H new ATOM 0 HB2 SER A 241 0.895 14.900 -17.912 1.00 0.00 H new ATOM 0 HB3 SER A 241 2.480 15.470 -18.394 1.00 0.00 H new ATOM 0 HG SER A 241 2.499 13.232 -17.788 1.00 0.00 H new ATOM 338 N PRO A 242 -0.485 16.320 -15.791 1.00 0.00 N ATOM 339 CA PRO A 242 -1.667 16.101 -14.952 1.00 0.00 C ATOM 340 C PRO A 242 -2.123 14.646 -14.962 1.00 0.00 C ATOM 341 O PRO A 242 -2.523 14.116 -15.999 1.00 0.00 O ATOM 342 CB PRO A 242 -2.728 16.998 -15.595 1.00 0.00 C ATOM 343 CG PRO A 242 -2.299 17.135 -17.015 1.00 0.00 C ATOM 344 CD PRO A 242 -0.796 17.103 -16.998 1.00 0.00 C ATOM 0 HA PRO A 242 -1.472 16.331 -13.904 1.00 0.00 H new ATOM 0 HB2 PRO A 242 -3.720 16.552 -15.523 1.00 0.00 H new ATOM 0 HB3 PRO A 242 -2.778 17.968 -15.101 1.00 0.00 H new ATOM 0 HG2 PRO A 242 -2.700 16.324 -17.624 1.00 0.00 H new ATOM 0 HG3 PRO A 242 -2.665 18.067 -17.445 1.00 0.00 H new ATOM 0 HD2 PRO A 242 -0.394 16.634 -17.896 1.00 0.00 H new ATOM 0 HD3 PRO A 242 -0.373 18.106 -16.946 1.00 0.00 H new ATOM 352 N THR A 243 -2.060 14.003 -13.799 1.00 0.00 N ATOM 353 CA THR A 243 -2.466 12.609 -13.674 1.00 0.00 C ATOM 354 C THR A 243 -3.667 12.468 -12.746 1.00 0.00 C ATOM 355 O THR A 243 -3.687 13.027 -11.650 1.00 0.00 O ATOM 356 CB THR A 243 -1.315 11.735 -13.142 1.00 0.00 C ATOM 357 OG1 THR A 243 -0.112 12.014 -13.867 1.00 0.00 O ATOM 358 CG2 THR A 243 -1.656 10.258 -13.264 1.00 0.00 C ATOM 0 H THR A 243 -1.732 14.426 -12.931 1.00 0.00 H new ATOM 0 HA THR A 243 -2.740 12.268 -14.672 1.00 0.00 H new ATOM 0 HB THR A 243 -1.166 11.971 -12.088 1.00 0.00 H new ATOM 0 HG1 THR A 243 0.615 11.455 -13.521 1.00 0.00 H new ATOM 0 HG21 THR A 243 -0.828 9.661 -12.882 1.00 0.00 H new ATOM 0 HG22 THR A 243 -2.555 10.043 -12.686 1.00 0.00 H new ATOM 0 HG23 THR A 243 -1.829 10.010 -14.311 1.00 0.00 H new ATOM 366 N PHE A 244 -4.668 11.716 -13.193 1.00 0.00 N ATOM 367 CA PHE A 244 -5.874 11.501 -12.402 1.00 0.00 C ATOM 368 C PHE A 244 -5.949 10.060 -11.905 1.00 0.00 C ATOM 369 O PHE A 244 -5.398 9.149 -12.523 1.00 0.00 O ATOM 370 CB PHE A 244 -7.118 11.832 -13.230 1.00 0.00 C ATOM 371 CG PHE A 244 -7.108 13.223 -13.796 1.00 0.00 C ATOM 372 CD1 PHE A 244 -6.261 13.554 -14.841 1.00 0.00 C ATOM 373 CD2 PHE A 244 -7.947 14.199 -13.283 1.00 0.00 C ATOM 374 CE1 PHE A 244 -6.250 14.834 -15.364 1.00 0.00 C ATOM 375 CE2 PHE A 244 -7.941 15.480 -13.803 1.00 0.00 C ATOM 376 CZ PHE A 244 -7.090 15.798 -14.844 1.00 0.00 C ATOM 0 H PHE A 244 -4.668 11.246 -14.098 1.00 0.00 H new ATOM 0 HA PHE A 244 -5.834 12.163 -11.537 1.00 0.00 H new ATOM 0 HB2 PHE A 244 -7.202 11.116 -14.048 1.00 0.00 H new ATOM 0 HB3 PHE A 244 -8.003 11.708 -12.606 1.00 0.00 H new ATOM 0 HD1 PHE A 244 -5.602 12.804 -15.252 1.00 0.00 H new ATOM 0 HD2 PHE A 244 -8.613 13.956 -12.468 1.00 0.00 H new ATOM 0 HE1 PHE A 244 -5.585 15.079 -16.179 1.00 0.00 H new ATOM 0 HE2 PHE A 244 -8.601 16.232 -13.396 1.00 0.00 H new ATOM 0 HZ PHE A 244 -7.082 16.799 -15.250 1.00 0.00 H new ATOM 386 N CYS A 245 -6.634 9.862 -10.783 1.00 0.00 N ATOM 387 CA CYS A 245 -6.781 8.534 -10.201 1.00 0.00 C ATOM 388 C CYS A 245 -7.710 7.669 -11.047 1.00 0.00 C ATOM 389 O CYS A 245 -8.754 8.129 -11.507 1.00 0.00 O ATOM 390 CB CYS A 245 -7.321 8.638 -8.773 1.00 0.00 C ATOM 391 SG CYS A 245 -6.819 7.264 -7.687 1.00 0.00 S ATOM 0 H CYS A 245 -7.096 10.605 -10.259 1.00 0.00 H new ATOM 0 HA CYS A 245 -5.798 8.063 -10.177 1.00 0.00 H new ATOM 0 HB2 CYS A 245 -6.981 9.576 -8.335 1.00 0.00 H new ATOM 0 HB3 CYS A 245 -8.410 8.679 -8.810 1.00 0.00 H new ATOM 0 HG CYS A 245 -6.554 7.723 -6.500 1.00 0.00 H new ATOM 396 N GLU A 246 -7.322 6.413 -11.247 1.00 0.00 N ATOM 397 CA GLU A 246 -8.120 5.484 -12.038 1.00 0.00 C ATOM 398 C GLU A 246 -9.140 4.761 -11.163 1.00 0.00 C ATOM 399 O GLU A 246 -9.794 3.816 -11.604 1.00 0.00 O ATOM 400 CB GLU A 246 -7.216 4.465 -12.735 1.00 0.00 C ATOM 401 CG GLU A 246 -6.326 5.073 -13.806 1.00 0.00 C ATOM 402 CD GLU A 246 -7.103 5.496 -15.038 1.00 0.00 C ATOM 403 OE1 GLU A 246 -7.599 4.606 -15.760 1.00 0.00 O ATOM 404 OE2 GLU A 246 -7.214 6.716 -15.280 1.00 0.00 O ATOM 0 H GLU A 246 -6.460 6.016 -10.872 1.00 0.00 H new ATOM 0 HA GLU A 246 -8.657 6.058 -12.793 1.00 0.00 H new ATOM 0 HB2 GLU A 246 -6.590 3.977 -11.988 1.00 0.00 H new ATOM 0 HB3 GLU A 246 -7.836 3.691 -13.186 1.00 0.00 H new ATOM 0 HG2 GLU A 246 -5.807 5.938 -13.394 1.00 0.00 H new ATOM 0 HG3 GLU A 246 -5.563 4.350 -14.093 1.00 0.00 H new ATOM 411 N HIS A 247 -9.269 5.212 -9.919 1.00 0.00 N ATOM 412 CA HIS A 247 -10.209 4.609 -8.981 1.00 0.00 C ATOM 413 C HIS A 247 -11.221 5.639 -8.488 1.00 0.00 C ATOM 414 O HIS A 247 -12.407 5.563 -8.809 1.00 0.00 O ATOM 415 CB HIS A 247 -9.459 4.004 -7.793 1.00 0.00 C ATOM 416 CG HIS A 247 -10.339 3.707 -6.618 1.00 0.00 C ATOM 417 ND1 HIS A 247 -11.160 2.601 -6.554 1.00 0.00 N ATOM 418 CD2 HIS A 247 -10.522 4.378 -5.457 1.00 0.00 C ATOM 419 CE1 HIS A 247 -11.811 2.605 -5.404 1.00 0.00 C ATOM 420 NE2 HIS A 247 -11.441 3.673 -4.720 1.00 0.00 N ATOM 0 H HIS A 247 -8.735 5.993 -9.538 1.00 0.00 H new ATOM 0 HA HIS A 247 -10.748 3.818 -9.502 1.00 0.00 H new ATOM 0 HB2 HIS A 247 -8.971 3.083 -8.113 1.00 0.00 H new ATOM 0 HB3 HIS A 247 -8.672 4.691 -7.483 1.00 0.00 H new ATOM 0 HD2 HIS A 247 -10.036 5.297 -5.165 1.00 0.00 H new ATOM 0 HE1 HIS A 247 -12.524 1.862 -5.079 1.00 0.00 H new ATOM 0 HE2 HIS A 247 -11.783 3.932 -3.794 1.00 0.00 H new ATOM 428 N CYS A 248 -10.744 6.601 -7.705 1.00 0.00 N ATOM 429 CA CYS A 248 -11.607 7.646 -7.166 1.00 0.00 C ATOM 430 C CYS A 248 -11.915 8.698 -8.227 1.00 0.00 C ATOM 431 O CYS A 248 -12.823 9.512 -8.064 1.00 0.00 O ATOM 432 CB CYS A 248 -10.946 8.306 -5.954 1.00 0.00 C ATOM 433 SG CYS A 248 -9.517 9.358 -6.367 1.00 0.00 S ATOM 0 H CYS A 248 -9.765 6.679 -7.430 1.00 0.00 H new ATOM 0 HA CYS A 248 -12.544 7.185 -6.855 1.00 0.00 H new ATOM 0 HB2 CYS A 248 -11.689 8.909 -5.432 1.00 0.00 H new ATOM 0 HB3 CYS A 248 -10.623 7.529 -5.262 1.00 0.00 H new ATOM 0 HG CYS A 248 -8.494 8.608 -6.653 1.00 0.00 H new ATOM 438 N GLY A 249 -11.152 8.674 -9.316 1.00 0.00 N ATOM 439 CA GLY A 249 -11.359 9.630 -10.388 1.00 0.00 C ATOM 440 C GLY A 249 -11.259 11.066 -9.912 1.00 0.00 C ATOM 441 O GLY A 249 -12.161 11.870 -10.147 1.00 0.00 O ATOM 0 H GLY A 249 -10.394 8.010 -9.475 1.00 0.00 H new ATOM 0 HA2 GLY A 249 -10.621 9.458 -11.171 1.00 0.00 H new ATOM 0 HA3 GLY A 249 -12.340 9.465 -10.833 1.00 0.00 H new ATOM 445 N THR A 250 -10.159 11.389 -9.238 1.00 0.00 N ATOM 446 CA THR A 250 -9.946 12.736 -8.725 1.00 0.00 C ATOM 447 C THR A 250 -8.506 13.186 -8.945 1.00 0.00 C ATOM 448 O THR A 250 -7.604 12.362 -9.102 1.00 0.00 O ATOM 449 CB THR A 250 -10.276 12.825 -7.224 1.00 0.00 C ATOM 450 OG1 THR A 250 -9.209 12.260 -6.453 1.00 0.00 O ATOM 451 CG2 THR A 250 -11.575 12.096 -6.912 1.00 0.00 C ATOM 0 H THR A 250 -9.402 10.736 -9.035 1.00 0.00 H new ATOM 0 HA THR A 250 -10.618 13.394 -9.276 1.00 0.00 H new ATOM 0 HB THR A 250 -10.395 13.876 -6.962 1.00 0.00 H new ATOM 0 HG1 THR A 250 -9.482 11.383 -6.110 1.00 0.00 H new ATOM 0 HG21 THR A 250 -11.788 12.172 -5.846 1.00 0.00 H new ATOM 0 HG22 THR A 250 -12.390 12.547 -7.478 1.00 0.00 H new ATOM 0 HG23 THR A 250 -11.478 11.046 -7.189 1.00 0.00 H new ATOM 459 N LEU A 251 -8.296 14.498 -8.954 1.00 0.00 N ATOM 460 CA LEU A 251 -6.964 15.058 -9.153 1.00 0.00 C ATOM 461 C LEU A 251 -6.032 14.667 -8.011 1.00 0.00 C ATOM 462 O LEU A 251 -6.478 14.184 -6.969 1.00 0.00 O ATOM 463 CB LEU A 251 -7.041 16.582 -9.264 1.00 0.00 C ATOM 464 CG LEU A 251 -7.382 17.138 -10.647 1.00 0.00 C ATOM 465 CD1 LEU A 251 -8.021 18.512 -10.527 1.00 0.00 C ATOM 466 CD2 LEU A 251 -6.136 17.201 -11.518 1.00 0.00 C ATOM 0 H LEU A 251 -9.031 15.194 -8.826 1.00 0.00 H new ATOM 0 HA LEU A 251 -6.562 14.652 -10.081 1.00 0.00 H new ATOM 0 HB2 LEU A 251 -7.788 16.941 -8.556 1.00 0.00 H new ATOM 0 HB3 LEU A 251 -6.082 16.998 -8.954 1.00 0.00 H new ATOM 0 HG LEU A 251 -8.099 16.467 -11.121 1.00 0.00 H new ATOM 0 HD11 LEU A 251 -8.257 18.892 -11.521 1.00 0.00 H new ATOM 0 HD12 LEU A 251 -8.937 18.437 -9.940 1.00 0.00 H new ATOM 0 HD13 LEU A 251 -7.328 19.194 -10.033 1.00 0.00 H new ATOM 0 HD21 LEU A 251 -6.397 17.599 -12.499 1.00 0.00 H new ATOM 0 HD22 LEU A 251 -5.396 17.849 -11.048 1.00 0.00 H new ATOM 0 HD23 LEU A 251 -5.721 16.200 -11.632 1.00 0.00 H new ATOM 478 N LEU A 252 -4.736 14.880 -8.212 1.00 0.00 N ATOM 479 CA LEU A 252 -3.740 14.552 -7.197 1.00 0.00 C ATOM 480 C LEU A 252 -3.074 15.814 -6.660 1.00 0.00 C ATOM 481 O LEU A 252 -3.421 16.927 -7.054 1.00 0.00 O ATOM 482 CB LEU A 252 -2.683 13.611 -7.778 1.00 0.00 C ATOM 483 CG LEU A 252 -3.198 12.523 -8.720 1.00 0.00 C ATOM 484 CD1 LEU A 252 -2.095 12.067 -9.663 1.00 0.00 C ATOM 485 CD2 LEU A 252 -3.745 11.345 -7.927 1.00 0.00 C ATOM 0 H LEU A 252 -4.350 15.278 -9.068 1.00 0.00 H new ATOM 0 HA LEU A 252 -4.248 14.053 -6.372 1.00 0.00 H new ATOM 0 HB2 LEU A 252 -1.948 14.210 -8.315 1.00 0.00 H new ATOM 0 HB3 LEU A 252 -2.160 13.130 -6.951 1.00 0.00 H new ATOM 0 HG LEU A 252 -4.009 12.941 -9.317 1.00 0.00 H new ATOM 0 HD11 LEU A 252 -2.480 11.292 -10.326 1.00 0.00 H new ATOM 0 HD12 LEU A 252 -1.750 12.914 -10.256 1.00 0.00 H new ATOM 0 HD13 LEU A 252 -1.263 11.668 -9.083 1.00 0.00 H new ATOM 0 HD21 LEU A 252 -4.107 10.580 -8.614 1.00 0.00 H new ATOM 0 HD22 LEU A 252 -2.954 10.927 -7.304 1.00 0.00 H new ATOM 0 HD23 LEU A 252 -4.566 11.682 -7.294 1.00 0.00 H new ATOM 497 N TRP A 253 -2.114 15.633 -5.760 1.00 0.00 N ATOM 498 CA TRP A 253 -1.397 16.758 -5.170 1.00 0.00 C ATOM 499 C TRP A 253 0.018 16.353 -4.772 1.00 0.00 C ATOM 500 O TRP A 253 0.447 15.228 -5.028 1.00 0.00 O ATOM 501 CB TRP A 253 -2.152 17.286 -3.949 1.00 0.00 C ATOM 502 CG TRP A 253 -3.218 18.281 -4.295 1.00 0.00 C ATOM 503 CD1 TRP A 253 -3.132 19.641 -4.203 1.00 0.00 C ATOM 504 CD2 TRP A 253 -4.532 17.993 -4.787 1.00 0.00 C ATOM 505 NE1 TRP A 253 -4.313 20.215 -4.607 1.00 0.00 N ATOM 506 CE2 TRP A 253 -5.187 19.226 -4.971 1.00 0.00 C ATOM 507 CE3 TRP A 253 -5.217 16.814 -5.091 1.00 0.00 C ATOM 508 CZ2 TRP A 253 -6.494 19.310 -5.445 1.00 0.00 C ATOM 509 CZ3 TRP A 253 -6.514 16.899 -5.561 1.00 0.00 C ATOM 510 CH2 TRP A 253 -7.141 18.140 -5.735 1.00 0.00 C ATOM 0 H TRP A 253 -1.814 14.718 -5.423 1.00 0.00 H new ATOM 0 HA TRP A 253 -1.332 17.548 -5.918 1.00 0.00 H new ATOM 0 HB2 TRP A 253 -2.605 16.447 -3.420 1.00 0.00 H new ATOM 0 HB3 TRP A 253 -1.442 17.749 -3.264 1.00 0.00 H new ATOM 0 HD1 TRP A 253 -2.263 20.185 -3.863 1.00 0.00 H new ATOM 0 HE1 TRP A 253 -4.507 21.216 -4.632 1.00 0.00 H new ATOM 0 HE3 TRP A 253 -4.741 15.853 -4.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 253 -6.980 20.265 -5.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 253 -7.053 15.994 -5.798 1.00 0.00 H new ATOM 0 HH2 TRP A 253 -8.155 18.174 -6.105 1.00 0.00 H new ATOM 521 N GLY A 254 0.739 17.277 -4.145 1.00 0.00 N ATOM 522 CA GLY A 254 2.099 16.996 -3.722 1.00 0.00 C ATOM 523 C GLY A 254 3.131 17.524 -4.699 1.00 0.00 C ATOM 524 O GLY A 254 2.786 17.989 -5.786 1.00 0.00 O ATOM 0 H GLY A 254 0.406 18.215 -3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 254 2.270 17.441 -2.742 1.00 0.00 H new ATOM 0 HA3 GLY A 254 2.226 15.919 -3.610 1.00 0.00 H new ATOM 528 N LEU A 255 4.399 17.455 -4.311 1.00 0.00 N ATOM 529 CA LEU A 255 5.486 17.932 -5.160 1.00 0.00 C ATOM 530 C LEU A 255 6.342 16.770 -5.653 1.00 0.00 C ATOM 531 O LEU A 255 6.595 16.636 -6.850 1.00 0.00 O ATOM 532 CB LEU A 255 6.355 18.932 -4.396 1.00 0.00 C ATOM 533 CG LEU A 255 7.416 19.664 -5.219 1.00 0.00 C ATOM 534 CD1 LEU A 255 7.920 20.888 -4.471 1.00 0.00 C ATOM 535 CD2 LEU A 255 8.569 18.729 -5.554 1.00 0.00 C ATOM 0 H LEU A 255 4.701 17.074 -3.414 1.00 0.00 H new ATOM 0 HA LEU A 255 5.047 18.428 -6.025 1.00 0.00 H new ATOM 0 HB2 LEU A 255 5.702 19.675 -3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 255 6.854 18.403 -3.584 1.00 0.00 H new ATOM 0 HG LEU A 255 6.961 19.996 -6.152 1.00 0.00 H new ATOM 0 HD11 LEU A 255 8.674 21.396 -5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 255 7.088 21.567 -4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 255 8.359 20.579 -3.522 1.00 0.00 H new ATOM 0 HD21 LEU A 255 9.315 19.266 -6.140 1.00 0.00 H new ATOM 0 HD22 LEU A 255 9.024 18.367 -4.632 1.00 0.00 H new ATOM 0 HD23 LEU A 255 8.195 17.883 -6.131 1.00 0.00 H new ATOM 547 N ALA A 256 6.783 15.930 -4.722 1.00 0.00 N ATOM 548 CA ALA A 256 7.606 14.776 -5.062 1.00 0.00 C ATOM 549 C ALA A 256 6.801 13.484 -4.983 1.00 0.00 C ATOM 550 O ALA A 256 6.595 12.806 -5.990 1.00 0.00 O ATOM 551 CB ALA A 256 8.817 14.703 -4.144 1.00 0.00 C ATOM 0 H ALA A 256 6.584 16.027 -3.726 1.00 0.00 H new ATOM 0 HA ALA A 256 7.949 14.896 -6.090 1.00 0.00 H new ATOM 0 HB1 ALA A 256 9.423 13.837 -4.409 1.00 0.00 H new ATOM 0 HB2 ALA A 256 9.412 15.609 -4.254 1.00 0.00 H new ATOM 0 HB3 ALA A 256 8.485 14.611 -3.110 1.00 0.00 H new ATOM 557 N ARG A 257 6.348 13.148 -3.779 1.00 0.00 N ATOM 558 CA ARG A 257 5.567 11.935 -3.568 1.00 0.00 C ATOM 559 C ARG A 257 4.138 12.114 -4.073 1.00 0.00 C ATOM 560 O ARG A 257 3.197 12.196 -3.283 1.00 0.00 O ATOM 561 CB ARG A 257 5.553 11.563 -2.084 1.00 0.00 C ATOM 562 CG ARG A 257 5.055 10.153 -1.814 1.00 0.00 C ATOM 563 CD ARG A 257 4.604 9.988 -0.372 1.00 0.00 C ATOM 564 NE ARG A 257 5.673 10.294 0.575 1.00 0.00 N ATOM 565 CZ ARG A 257 6.612 9.424 0.929 1.00 0.00 C ATOM 566 NH1 ARG A 257 6.614 8.201 0.418 1.00 0.00 N ATOM 567 NH2 ARG A 257 7.552 9.777 1.797 1.00 0.00 N ATOM 0 H ARG A 257 6.508 13.699 -2.935 1.00 0.00 H new ATOM 0 HA ARG A 257 6.035 11.129 -4.133 1.00 0.00 H new ATOM 0 HB2 ARG A 257 6.561 11.666 -1.683 1.00 0.00 H new ATOM 0 HB3 ARG A 257 4.922 12.271 -1.547 1.00 0.00 H new ATOM 0 HG2 ARG A 257 4.226 9.924 -2.484 1.00 0.00 H new ATOM 0 HG3 ARG A 257 5.848 9.438 -2.032 1.00 0.00 H new ATOM 0 HD2 ARG A 257 3.753 10.642 -0.181 1.00 0.00 H new ATOM 0 HD3 ARG A 257 4.262 8.965 -0.214 1.00 0.00 H new ATOM 0 HE ARG A 257 5.700 11.227 0.987 1.00 0.00 H new ATOM 0 HH11 ARG A 257 5.893 7.926 -0.249 1.00 0.00 H new ATOM 0 HH12 ARG A 257 7.336 7.535 0.692 1.00 0.00 H new ATOM 0 HH21 ARG A 257 7.554 10.717 2.193 1.00 0.00 H new ATOM 0 HH22 ARG A 257 8.273 9.108 2.068 1.00 0.00 H new ATOM 581 N GLN A 258 3.984 12.175 -5.391 1.00 0.00 N ATOM 582 CA GLN A 258 2.671 12.346 -6.000 1.00 0.00 C ATOM 583 C GLN A 258 2.052 10.996 -6.348 1.00 0.00 C ATOM 584 O GLN A 258 2.375 10.400 -7.374 1.00 0.00 O ATOM 585 CB GLN A 258 2.776 13.211 -7.257 1.00 0.00 C ATOM 586 CG GLN A 258 3.160 14.654 -6.973 1.00 0.00 C ATOM 587 CD GLN A 258 3.348 15.468 -8.238 1.00 0.00 C ATOM 588 OE1 GLN A 258 4.367 16.136 -8.415 1.00 0.00 O ATOM 589 NE2 GLN A 258 2.362 15.418 -9.126 1.00 0.00 N ATOM 0 H GLN A 258 4.753 12.109 -6.058 1.00 0.00 H new ATOM 0 HA GLN A 258 2.026 12.846 -5.277 1.00 0.00 H new ATOM 0 HB2 GLN A 258 3.514 12.773 -7.929 1.00 0.00 H new ATOM 0 HB3 GLN A 258 1.820 13.195 -7.780 1.00 0.00 H new ATOM 0 HG2 GLN A 258 2.388 15.117 -6.359 1.00 0.00 H new ATOM 0 HG3 GLN A 258 4.083 14.673 -6.393 1.00 0.00 H new ATOM 0 HE21 GLN A 258 1.535 14.851 -8.938 1.00 0.00 H new ATOM 0 HE22 GLN A 258 2.432 15.946 -9.996 1.00 0.00 H new ATOM 598 N GLY A 259 1.160 10.519 -5.484 1.00 0.00 N ATOM 599 CA GLY A 259 0.511 9.243 -5.717 1.00 0.00 C ATOM 600 C GLY A 259 1.500 8.138 -6.032 1.00 0.00 C ATOM 601 O GLY A 259 2.702 8.289 -5.811 1.00 0.00 O ATOM 0 H GLY A 259 0.876 10.994 -4.627 1.00 0.00 H new ATOM 0 HA2 GLY A 259 -0.068 8.967 -4.836 1.00 0.00 H new ATOM 0 HA3 GLY A 259 -0.193 9.343 -6.543 1.00 0.00 H new ATOM 605 N LEU A 260 0.994 7.023 -6.548 1.00 0.00 N ATOM 606 CA LEU A 260 1.842 5.886 -6.892 1.00 0.00 C ATOM 607 C LEU A 260 1.615 5.456 -8.338 1.00 0.00 C ATOM 608 O LEU A 260 0.613 5.818 -8.955 1.00 0.00 O ATOM 609 CB LEU A 260 1.565 4.714 -5.949 1.00 0.00 C ATOM 610 CG LEU A 260 1.466 5.058 -4.462 1.00 0.00 C ATOM 611 CD1 LEU A 260 0.719 3.966 -3.711 1.00 0.00 C ATOM 612 CD2 LEU A 260 2.852 5.264 -3.869 1.00 0.00 C ATOM 0 H LEU A 260 0.002 6.882 -6.737 1.00 0.00 H new ATOM 0 HA LEU A 260 2.882 6.193 -6.783 1.00 0.00 H new ATOM 0 HB2 LEU A 260 0.632 4.240 -6.255 1.00 0.00 H new ATOM 0 HB3 LEU A 260 2.355 3.975 -6.079 1.00 0.00 H new ATOM 0 HG LEU A 260 0.907 5.988 -4.360 1.00 0.00 H new ATOM 0 HD11 LEU A 260 0.658 4.227 -2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 260 -0.287 3.867 -4.119 1.00 0.00 H new ATOM 0 HD13 LEU A 260 1.250 3.020 -3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 260 2.762 5.508 -2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 260 3.436 4.351 -3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 260 3.352 6.081 -4.389 1.00 0.00 H new ATOM 624 N LYS A 261 2.551 4.679 -8.872 1.00 0.00 N ATOM 625 CA LYS A 261 2.452 4.195 -10.244 1.00 0.00 C ATOM 626 C LYS A 261 2.901 2.740 -10.341 1.00 0.00 C ATOM 627 O LYS A 261 4.021 2.399 -9.960 1.00 0.00 O ATOM 628 CB LYS A 261 3.300 5.064 -11.175 1.00 0.00 C ATOM 629 CG LYS A 261 3.560 4.429 -12.530 1.00 0.00 C ATOM 630 CD LYS A 261 4.807 3.561 -12.509 1.00 0.00 C ATOM 631 CE LYS A 261 5.387 3.384 -13.904 1.00 0.00 C ATOM 632 NZ LYS A 261 4.366 2.897 -14.871 1.00 0.00 N ATOM 0 H LYS A 261 3.387 4.371 -8.376 1.00 0.00 H new ATOM 0 HA LYS A 261 1.408 4.256 -10.550 1.00 0.00 H new ATOM 0 HB2 LYS A 261 2.799 6.021 -11.322 1.00 0.00 H new ATOM 0 HB3 LYS A 261 4.254 5.275 -10.693 1.00 0.00 H new ATOM 0 HG2 LYS A 261 2.700 3.825 -12.821 1.00 0.00 H new ATOM 0 HG3 LYS A 261 3.671 5.209 -13.283 1.00 0.00 H new ATOM 0 HD2 LYS A 261 5.555 4.013 -11.858 1.00 0.00 H new ATOM 0 HD3 LYS A 261 4.565 2.585 -12.088 1.00 0.00 H new ATOM 0 HE2 LYS A 261 5.793 4.334 -14.252 1.00 0.00 H new ATOM 0 HE3 LYS A 261 6.217 2.678 -13.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 261 4.833 2.612 -15.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 261 3.865 2.081 -14.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 261 3.685 3.657 -15.069 1.00 0.00 H new ATOM 646 N CYS A 262 2.021 1.887 -10.854 1.00 0.00 N ATOM 647 CA CYS A 262 2.326 0.469 -11.003 1.00 0.00 C ATOM 648 C CYS A 262 3.499 0.263 -11.957 1.00 0.00 C ATOM 649 O CYS A 262 3.531 0.829 -13.050 1.00 0.00 O ATOM 650 CB CYS A 262 1.099 -0.287 -11.514 1.00 0.00 C ATOM 651 SG CYS A 262 1.166 -2.087 -11.239 1.00 0.00 S ATOM 0 H CYS A 262 1.090 2.153 -11.174 1.00 0.00 H new ATOM 0 HA CYS A 262 2.603 0.077 -10.024 1.00 0.00 H new ATOM 0 HB2 CYS A 262 0.210 0.112 -11.025 1.00 0.00 H new ATOM 0 HB3 CYS A 262 0.987 -0.097 -12.582 1.00 0.00 H new ATOM 0 HG CYS A 262 2.407 -2.470 -11.175 1.00 0.00 H new ATOM 656 N ASP A 263 4.460 -0.552 -11.536 1.00 0.00 N ATOM 657 CA ASP A 263 5.635 -0.835 -12.353 1.00 0.00 C ATOM 658 C ASP A 263 5.444 -2.122 -13.150 1.00 0.00 C ATOM 659 O ASP A 263 6.405 -2.690 -13.669 1.00 0.00 O ATOM 660 CB ASP A 263 6.880 -0.946 -11.472 1.00 0.00 C ATOM 661 CG ASP A 263 8.150 -0.582 -12.217 1.00 0.00 C ATOM 662 OD1 ASP A 263 8.057 -0.233 -13.412 1.00 0.00 O ATOM 663 OD2 ASP A 263 9.236 -0.647 -11.604 1.00 0.00 O ATOM 0 H ASP A 263 4.449 -1.028 -10.634 1.00 0.00 H new ATOM 0 HA ASP A 263 5.768 -0.011 -13.054 1.00 0.00 H new ATOM 0 HB2 ASP A 263 6.769 -0.292 -10.607 1.00 0.00 H new ATOM 0 HB3 ASP A 263 6.964 -1.964 -11.093 1.00 0.00 H new ATOM 668 N ALA A 264 4.199 -2.576 -13.243 1.00 0.00 N ATOM 669 CA ALA A 264 3.882 -3.794 -13.978 1.00 0.00 C ATOM 670 C ALA A 264 2.991 -3.495 -15.179 1.00 0.00 C ATOM 671 O ALA A 264 3.407 -3.652 -16.327 1.00 0.00 O ATOM 672 CB ALA A 264 3.212 -4.805 -13.059 1.00 0.00 C ATOM 0 H ALA A 264 3.393 -2.118 -12.818 1.00 0.00 H new ATOM 0 HA ALA A 264 4.815 -4.219 -14.349 1.00 0.00 H new ATOM 0 HB1 ALA A 264 2.981 -5.710 -13.621 1.00 0.00 H new ATOM 0 HB2 ALA A 264 3.884 -5.050 -12.237 1.00 0.00 H new ATOM 0 HB3 ALA A 264 2.291 -4.380 -12.660 1.00 0.00 H new ATOM 678 N CYS A 265 1.764 -3.065 -14.906 1.00 0.00 N ATOM 679 CA CYS A 265 0.813 -2.745 -15.964 1.00 0.00 C ATOM 680 C CYS A 265 0.952 -1.289 -16.398 1.00 0.00 C ATOM 681 O CYS A 265 1.002 -0.988 -17.590 1.00 0.00 O ATOM 682 CB CYS A 265 -0.617 -3.014 -15.491 1.00 0.00 C ATOM 683 SG CYS A 265 -1.146 -1.973 -14.093 1.00 0.00 S ATOM 0 H CYS A 265 1.405 -2.930 -13.961 1.00 0.00 H new ATOM 0 HA CYS A 265 1.031 -3.383 -16.820 1.00 0.00 H new ATOM 0 HB2 CYS A 265 -1.300 -2.857 -16.326 1.00 0.00 H new ATOM 0 HB3 CYS A 265 -0.702 -4.062 -15.202 1.00 0.00 H new ATOM 0 HG CYS A 265 -0.280 -2.069 -13.128 1.00 0.00 H new ATOM 688 N GLY A 266 1.013 -0.389 -15.421 1.00 0.00 N ATOM 689 CA GLY A 266 1.145 1.024 -15.722 1.00 0.00 C ATOM 690 C GLY A 266 -0.099 1.812 -15.362 1.00 0.00 C ATOM 691 O GLY A 266 -0.772 2.356 -16.237 1.00 0.00 O ATOM 0 H GLY A 266 0.973 -0.614 -14.427 1.00 0.00 H new ATOM 0 HA2 GLY A 266 1.998 1.430 -15.179 1.00 0.00 H new ATOM 0 HA3 GLY A 266 1.355 1.148 -16.784 1.00 0.00 H new ATOM 695 N MET A 267 -0.406 1.873 -14.070 1.00 0.00 N ATOM 696 CA MET A 267 -1.578 2.601 -13.597 1.00 0.00 C ATOM 697 C MET A 267 -1.192 3.616 -12.527 1.00 0.00 C ATOM 698 O MET A 267 -0.201 3.440 -11.819 1.00 0.00 O ATOM 699 CB MET A 267 -2.619 1.627 -13.042 1.00 0.00 C ATOM 700 CG MET A 267 -3.943 2.287 -12.691 1.00 0.00 C ATOM 701 SD MET A 267 -5.281 1.096 -12.487 1.00 0.00 S ATOM 702 CE MET A 267 -4.441 -0.205 -11.586 1.00 0.00 C ATOM 0 H MET A 267 0.140 1.427 -13.333 1.00 0.00 H new ATOM 0 HA MET A 267 -2.008 3.138 -14.443 1.00 0.00 H new ATOM 0 HB2 MET A 267 -2.797 0.842 -13.776 1.00 0.00 H new ATOM 0 HB3 MET A 267 -2.215 1.145 -12.152 1.00 0.00 H new ATOM 0 HG2 MET A 267 -3.827 2.858 -11.770 1.00 0.00 H new ATOM 0 HG3 MET A 267 -4.210 2.996 -13.474 1.00 0.00 H new ATOM 0 HE1 MET A 267 -5.162 -0.967 -11.291 1.00 0.00 H new ATOM 0 HE2 MET A 267 -3.678 -0.654 -12.222 1.00 0.00 H new ATOM 0 HE3 MET A 267 -3.971 0.214 -10.696 1.00 0.00 H new ATOM 712 N ASN A 268 -1.981 4.680 -12.414 1.00 0.00 N ATOM 713 CA ASN A 268 -1.721 5.724 -11.429 1.00 0.00 C ATOM 714 C ASN A 268 -2.865 5.821 -10.424 1.00 0.00 C ATOM 715 O ASN A 268 -3.991 6.166 -10.780 1.00 0.00 O ATOM 716 CB ASN A 268 -1.523 7.072 -12.125 1.00 0.00 C ATOM 717 CG ASN A 268 -0.404 7.035 -13.148 1.00 0.00 C ATOM 718 OD1 ASN A 268 0.755 7.294 -12.826 1.00 0.00 O ATOM 719 ND2 ASN A 268 -0.749 6.714 -14.390 1.00 0.00 N ATOM 0 H ASN A 268 -2.806 4.842 -12.992 1.00 0.00 H new ATOM 0 HA ASN A 268 -0.810 5.463 -10.891 1.00 0.00 H new ATOM 0 HB2 ASN A 268 -2.451 7.364 -12.616 1.00 0.00 H new ATOM 0 HB3 ASN A 268 -1.304 7.835 -11.378 1.00 0.00 H new ATOM 0 HD21 ASN A 268 -0.040 6.675 -15.122 1.00 0.00 H new ATOM 0 HD22 ASN A 268 -1.723 6.507 -14.611 1.00 0.00 H new ATOM 726 N VAL A 269 -2.567 5.514 -9.165 1.00 0.00 N ATOM 727 CA VAL A 269 -3.569 5.568 -8.108 1.00 0.00 C ATOM 728 C VAL A 269 -3.009 6.231 -6.854 1.00 0.00 C ATOM 729 O VAL A 269 -1.794 6.304 -6.667 1.00 0.00 O ATOM 730 CB VAL A 269 -4.080 4.161 -7.746 1.00 0.00 C ATOM 731 CG1 VAL A 269 -4.638 3.463 -8.977 1.00 0.00 C ATOM 732 CG2 VAL A 269 -2.968 3.337 -7.114 1.00 0.00 C ATOM 0 H VAL A 269 -1.640 5.225 -8.853 1.00 0.00 H new ATOM 0 HA VAL A 269 -4.400 6.161 -8.490 1.00 0.00 H new ATOM 0 HB VAL A 269 -4.885 4.261 -7.018 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -4.994 2.470 -8.702 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -5.465 4.046 -9.382 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -3.855 3.372 -9.730 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -3.347 2.346 -6.864 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -2.140 3.243 -7.817 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -2.619 3.831 -6.207 1.00 0.00 H new ATOM 742 N HIS A 270 -3.903 6.713 -5.997 1.00 0.00 N ATOM 743 CA HIS A 270 -3.499 7.370 -4.759 1.00 0.00 C ATOM 744 C HIS A 270 -2.815 6.382 -3.818 1.00 0.00 C ATOM 745 O HIS A 270 -2.599 5.222 -4.170 1.00 0.00 O ATOM 746 CB HIS A 270 -4.711 7.994 -4.068 1.00 0.00 C ATOM 747 CG HIS A 270 -5.041 9.368 -4.564 1.00 0.00 C ATOM 748 ND1 HIS A 270 -6.225 9.674 -5.202 1.00 0.00 N ATOM 749 CD2 HIS A 270 -4.335 10.522 -4.512 1.00 0.00 C ATOM 750 CE1 HIS A 270 -6.232 10.956 -5.522 1.00 0.00 C ATOM 751 NE2 HIS A 270 -5.097 11.493 -5.114 1.00 0.00 N ATOM 0 H HIS A 270 -4.912 6.661 -6.137 1.00 0.00 H new ATOM 0 HA HIS A 270 -2.789 8.158 -5.010 1.00 0.00 H new ATOM 0 HB2 HIS A 270 -5.576 7.346 -4.214 1.00 0.00 H new ATOM 0 HB3 HIS A 270 -4.524 8.039 -2.995 1.00 0.00 H new ATOM 0 HD2 HIS A 270 -3.355 10.654 -4.078 1.00 0.00 H new ATOM 0 HE1 HIS A 270 -7.030 11.476 -6.031 1.00 0.00 H new ATOM 0 HE2 HIS A 270 -4.829 12.471 -5.228 1.00 0.00 H new ATOM 759 N HIS A 271 -2.478 6.849 -2.620 1.00 0.00 N ATOM 760 CA HIS A 271 -1.818 6.007 -1.629 1.00 0.00 C ATOM 761 C HIS A 271 -2.814 5.047 -0.983 1.00 0.00 C ATOM 762 O HIS A 271 -2.494 3.886 -0.727 1.00 0.00 O ATOM 763 CB HIS A 271 -1.155 6.870 -0.555 1.00 0.00 C ATOM 764 CG HIS A 271 -0.216 7.897 -1.108 1.00 0.00 C ATOM 765 ND1 HIS A 271 0.650 7.642 -2.150 1.00 0.00 N ATOM 766 CD2 HIS A 271 -0.012 9.189 -0.759 1.00 0.00 C ATOM 767 CE1 HIS A 271 1.348 8.731 -2.417 1.00 0.00 C ATOM 768 NE2 HIS A 271 0.965 9.685 -1.587 1.00 0.00 N ATOM 0 H HIS A 271 -2.651 7.806 -2.312 1.00 0.00 H new ATOM 0 HA HIS A 271 -1.052 5.422 -2.138 1.00 0.00 H new ATOM 0 HB2 HIS A 271 -1.929 7.372 0.025 1.00 0.00 H new ATOM 0 HB3 HIS A 271 -0.610 6.224 0.133 1.00 0.00 H new ATOM 0 HD2 HIS A 271 -0.522 9.729 0.025 1.00 0.00 H new ATOM 0 HE1 HIS A 271 2.103 8.826 -3.183 1.00 0.00 H new ATOM 0 HE2 HIS A 271 1.335 10.635 -1.565 1.00 0.00 H new ATOM 776 N ARG A 272 -4.020 5.540 -0.723 1.00 0.00 N ATOM 777 CA ARG A 272 -5.061 4.727 -0.106 1.00 0.00 C ATOM 778 C ARG A 272 -5.892 4.011 -1.167 1.00 0.00 C ATOM 779 O ARG A 272 -6.151 2.812 -1.062 1.00 0.00 O ATOM 780 CB ARG A 272 -5.968 5.597 0.766 1.00 0.00 C ATOM 781 CG ARG A 272 -7.005 4.805 1.546 1.00 0.00 C ATOM 782 CD ARG A 272 -8.216 5.659 1.889 1.00 0.00 C ATOM 783 NE ARG A 272 -7.852 6.831 2.682 1.00 0.00 N ATOM 784 CZ ARG A 272 -7.571 6.781 3.979 1.00 0.00 C ATOM 785 NH1 ARG A 272 -7.610 5.624 4.626 1.00 0.00 N ATOM 786 NH2 ARG A 272 -7.248 7.890 4.632 1.00 0.00 N ATOM 0 H ARG A 272 -4.301 6.499 -0.930 1.00 0.00 H new ATOM 0 HA ARG A 272 -4.578 3.977 0.520 1.00 0.00 H new ATOM 0 HB2 ARG A 272 -5.352 6.161 1.466 1.00 0.00 H new ATOM 0 HB3 ARG A 272 -6.478 6.323 0.133 1.00 0.00 H new ATOM 0 HG2 ARG A 272 -7.321 3.942 0.960 1.00 0.00 H new ATOM 0 HG3 ARG A 272 -6.557 4.421 2.463 1.00 0.00 H new ATOM 0 HD2 ARG A 272 -8.705 5.981 0.969 1.00 0.00 H new ATOM 0 HD3 ARG A 272 -8.939 5.058 2.441 1.00 0.00 H new ATOM 0 HE ARG A 272 -7.812 7.736 2.214 1.00 0.00 H new ATOM 0 HH11 ARG A 272 -7.856 4.769 4.127 1.00 0.00 H new ATOM 0 HH12 ARG A 272 -7.394 5.589 5.622 1.00 0.00 H new ATOM 0 HH21 ARG A 272 -7.215 8.782 4.138 1.00 0.00 H new ATOM 0 HH22 ARG A 272 -7.032 7.851 5.628 1.00 0.00 H new ATOM 800 N CYS A 273 -6.307 4.754 -2.187 1.00 0.00 N ATOM 801 CA CYS A 273 -7.110 4.192 -3.266 1.00 0.00 C ATOM 802 C CYS A 273 -6.542 2.852 -3.725 1.00 0.00 C ATOM 803 O CYS A 273 -7.264 2.014 -4.264 1.00 0.00 O ATOM 804 CB CYS A 273 -7.168 5.165 -4.446 1.00 0.00 C ATOM 805 SG CYS A 273 -8.096 6.694 -4.103 1.00 0.00 S ATOM 0 H CYS A 273 -6.100 5.748 -2.289 1.00 0.00 H new ATOM 0 HA CYS A 273 -8.119 4.029 -2.888 1.00 0.00 H new ATOM 0 HB2 CYS A 273 -6.151 5.427 -4.737 1.00 0.00 H new ATOM 0 HB3 CYS A 273 -7.623 4.660 -5.298 1.00 0.00 H new ATOM 0 HG CYS A 273 -8.354 7.305 -5.221 1.00 0.00 H new ATOM 810 N GLN A 274 -5.245 2.660 -3.508 1.00 0.00 N ATOM 811 CA GLN A 274 -4.580 1.423 -3.900 1.00 0.00 C ATOM 812 C GLN A 274 -5.246 0.217 -3.245 1.00 0.00 C ATOM 813 O GLN A 274 -5.491 -0.800 -3.895 1.00 0.00 O ATOM 814 CB GLN A 274 -3.099 1.472 -3.520 1.00 0.00 C ATOM 815 CG GLN A 274 -2.830 1.093 -2.073 1.00 0.00 C ATOM 816 CD GLN A 274 -1.393 1.347 -1.661 1.00 0.00 C ATOM 817 OE1 GLN A 274 -1.093 1.503 -0.477 1.00 0.00 O ATOM 818 NE2 GLN A 274 -0.495 1.391 -2.639 1.00 0.00 N ATOM 0 H GLN A 274 -4.634 3.345 -3.063 1.00 0.00 H new ATOM 0 HA GLN A 274 -4.666 1.320 -4.982 1.00 0.00 H new ATOM 0 HB2 GLN A 274 -2.542 0.799 -4.173 1.00 0.00 H new ATOM 0 HB3 GLN A 274 -2.719 2.478 -3.700 1.00 0.00 H new ATOM 0 HG2 GLN A 274 -3.496 1.660 -1.423 1.00 0.00 H new ATOM 0 HG3 GLN A 274 -3.065 0.039 -1.928 1.00 0.00 H new ATOM 0 HE21 GLN A 274 -0.788 1.256 -3.607 1.00 0.00 H new ATOM 0 HE22 GLN A 274 0.487 1.559 -2.422 1.00 0.00 H new ATOM 827 N THR A 275 -5.536 0.336 -1.953 1.00 0.00 N ATOM 828 CA THR A 275 -6.171 -0.745 -1.210 1.00 0.00 C ATOM 829 C THR A 275 -7.573 -1.026 -1.739 1.00 0.00 C ATOM 830 O THR A 275 -8.223 -1.987 -1.326 1.00 0.00 O ATOM 831 CB THR A 275 -6.258 -0.417 0.293 1.00 0.00 C ATOM 832 OG1 THR A 275 -7.230 0.611 0.515 1.00 0.00 O ATOM 833 CG2 THR A 275 -4.907 0.031 0.828 1.00 0.00 C ATOM 0 H THR A 275 -5.341 1.170 -1.400 1.00 0.00 H new ATOM 0 HA THR A 275 -5.550 -1.630 -1.346 1.00 0.00 H new ATOM 0 HB THR A 275 -6.559 -1.321 0.823 1.00 0.00 H new ATOM 0 HG1 THR A 275 -6.977 1.414 0.013 1.00 0.00 H new ATOM 0 HG21 THR A 275 -4.993 0.257 1.891 1.00 0.00 H new ATOM 0 HG22 THR A 275 -4.177 -0.765 0.684 1.00 0.00 H new ATOM 0 HG23 THR A 275 -4.581 0.923 0.293 1.00 0.00 H new ATOM 841 N LYS A 276 -8.035 -0.182 -2.655 1.00 0.00 N ATOM 842 CA LYS A 276 -9.360 -0.340 -3.243 1.00 0.00 C ATOM 843 C LYS A 276 -9.284 -1.116 -4.555 1.00 0.00 C ATOM 844 O LYS A 276 -10.216 -1.832 -4.919 1.00 0.00 O ATOM 845 CB LYS A 276 -10.000 1.029 -3.484 1.00 0.00 C ATOM 846 CG LYS A 276 -9.669 2.052 -2.412 1.00 0.00 C ATOM 847 CD LYS A 276 -10.442 1.787 -1.131 1.00 0.00 C ATOM 848 CE LYS A 276 -10.481 3.019 -0.239 1.00 0.00 C ATOM 849 NZ LYS A 276 -11.569 2.935 0.774 1.00 0.00 N ATOM 0 H LYS A 276 -7.511 0.619 -3.007 1.00 0.00 H new ATOM 0 HA LYS A 276 -9.976 -0.904 -2.543 1.00 0.00 H new ATOM 0 HB2 LYS A 276 -9.671 1.409 -4.451 1.00 0.00 H new ATOM 0 HB3 LYS A 276 -11.082 0.910 -3.539 1.00 0.00 H new ATOM 0 HG2 LYS A 276 -8.599 2.029 -2.204 1.00 0.00 H new ATOM 0 HG3 LYS A 276 -9.901 3.052 -2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 276 -11.459 1.481 -1.375 1.00 0.00 H new ATOM 0 HD3 LYS A 276 -9.981 0.960 -0.591 1.00 0.00 H new ATOM 0 HE2 LYS A 276 -9.522 3.132 0.266 1.00 0.00 H new ATOM 0 HE3 LYS A 276 -10.624 3.908 -0.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 276 -11.563 3.793 1.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 276 -12.487 2.853 0.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 276 -11.419 2.101 1.377 1.00 0.00 H new ATOM 863 N VAL A 277 -8.166 -0.969 -5.260 1.00 0.00 N ATOM 864 CA VAL A 277 -7.968 -1.658 -6.530 1.00 0.00 C ATOM 865 C VAL A 277 -7.718 -3.146 -6.314 1.00 0.00 C ATOM 866 O VAL A 277 -6.837 -3.534 -5.548 1.00 0.00 O ATOM 867 CB VAL A 277 -6.785 -1.058 -7.314 1.00 0.00 C ATOM 868 CG1 VAL A 277 -6.929 -1.348 -8.800 1.00 0.00 C ATOM 869 CG2 VAL A 277 -6.683 0.438 -7.062 1.00 0.00 C ATOM 0 H VAL A 277 -7.385 -0.380 -4.973 1.00 0.00 H new ATOM 0 HA VAL A 277 -8.882 -1.527 -7.109 1.00 0.00 H new ATOM 0 HB VAL A 277 -5.865 -1.525 -6.964 1.00 0.00 H new ATOM 0 HG11 VAL A 277 -6.085 -0.917 -9.338 1.00 0.00 H new ATOM 0 HG12 VAL A 277 -6.949 -2.426 -8.960 1.00 0.00 H new ATOM 0 HG13 VAL A 277 -7.856 -0.909 -9.168 1.00 0.00 H new ATOM 0 HG21 VAL A 277 -5.842 0.845 -7.624 1.00 0.00 H new ATOM 0 HG22 VAL A 277 -7.604 0.925 -7.384 1.00 0.00 H new ATOM 0 HG23 VAL A 277 -6.530 0.618 -5.998 1.00 0.00 H new ATOM 879 N ALA A 278 -8.501 -3.976 -6.996 1.00 0.00 N ATOM 880 CA ALA A 278 -8.363 -5.423 -6.881 1.00 0.00 C ATOM 881 C ALA A 278 -6.905 -5.848 -7.013 1.00 0.00 C ATOM 882 O ALA A 278 -6.035 -5.031 -7.311 1.00 0.00 O ATOM 883 CB ALA A 278 -9.215 -6.119 -7.933 1.00 0.00 C ATOM 0 H ALA A 278 -9.237 -3.671 -7.633 1.00 0.00 H new ATOM 0 HA ALA A 278 -8.712 -5.719 -5.892 1.00 0.00 H new ATOM 0 HB1 ALA A 278 -9.103 -7.199 -7.836 1.00 0.00 H new ATOM 0 HB2 ALA A 278 -10.261 -5.849 -7.791 1.00 0.00 H new ATOM 0 HB3 ALA A 278 -8.892 -5.808 -8.927 1.00 0.00 H new ATOM 889 N ASN A 279 -6.645 -7.132 -6.787 1.00 0.00 N ATOM 890 CA ASN A 279 -5.290 -7.665 -6.879 1.00 0.00 C ATOM 891 C ASN A 279 -5.072 -8.367 -8.216 1.00 0.00 C ATOM 892 O ASN A 279 -4.537 -9.476 -8.267 1.00 0.00 O ATOM 893 CB ASN A 279 -5.024 -8.638 -5.729 1.00 0.00 C ATOM 894 CG ASN A 279 -6.013 -9.788 -5.704 1.00 0.00 C ATOM 895 OD1 ASN A 279 -6.294 -10.401 -6.733 1.00 0.00 O ATOM 896 ND2 ASN A 279 -6.545 -10.084 -4.524 1.00 0.00 N ATOM 0 H ASN A 279 -7.354 -7.822 -6.539 1.00 0.00 H new ATOM 0 HA ASN A 279 -4.592 -6.831 -6.809 1.00 0.00 H new ATOM 0 HB2 ASN A 279 -4.012 -9.034 -5.818 1.00 0.00 H new ATOM 0 HB3 ASN A 279 -5.073 -8.100 -4.782 1.00 0.00 H new ATOM 0 HD21 ASN A 279 -7.217 -10.848 -4.444 1.00 0.00 H new ATOM 0 HD22 ASN A 279 -6.282 -9.548 -3.697 1.00 0.00 H new ATOM 903 N LEU A 280 -5.488 -7.715 -9.295 1.00 0.00 N ATOM 904 CA LEU A 280 -5.338 -8.276 -10.634 1.00 0.00 C ATOM 905 C LEU A 280 -4.586 -7.313 -11.547 1.00 0.00 C ATOM 906 O LEU A 280 -5.185 -6.433 -12.166 1.00 0.00 O ATOM 907 CB LEU A 280 -6.709 -8.597 -11.230 1.00 0.00 C ATOM 908 CG LEU A 280 -7.582 -9.561 -10.426 1.00 0.00 C ATOM 909 CD1 LEU A 280 -8.997 -9.593 -10.984 1.00 0.00 C ATOM 910 CD2 LEU A 280 -6.976 -10.957 -10.426 1.00 0.00 C ATOM 0 H LEU A 280 -5.932 -6.797 -9.270 1.00 0.00 H new ATOM 0 HA LEU A 280 -4.760 -9.196 -10.553 1.00 0.00 H new ATOM 0 HB2 LEU A 280 -7.256 -7.663 -11.356 1.00 0.00 H new ATOM 0 HB3 LEU A 280 -6.561 -9.016 -12.225 1.00 0.00 H new ATOM 0 HG LEU A 280 -7.627 -9.206 -9.396 1.00 0.00 H new ATOM 0 HD11 LEU A 280 -9.603 -10.285 -10.399 1.00 0.00 H new ATOM 0 HD12 LEU A 280 -9.432 -8.595 -10.931 1.00 0.00 H new ATOM 0 HD13 LEU A 280 -8.971 -9.923 -12.023 1.00 0.00 H new ATOM 0 HD21 LEU A 280 -7.611 -11.629 -9.849 1.00 0.00 H new ATOM 0 HD22 LEU A 280 -6.900 -11.320 -11.451 1.00 0.00 H new ATOM 0 HD23 LEU A 280 -5.983 -10.923 -9.978 1.00 0.00 H new ATOM 922 N CYS A 281 -3.271 -7.486 -11.627 1.00 0.00 N ATOM 923 CA CYS A 281 -2.437 -6.634 -12.466 1.00 0.00 C ATOM 924 C CYS A 281 -2.233 -7.259 -13.843 1.00 0.00 C ATOM 925 O CYS A 281 -1.618 -8.316 -13.971 1.00 0.00 O ATOM 926 CB CYS A 281 -1.082 -6.394 -11.796 1.00 0.00 C ATOM 927 SG CYS A 281 0.001 -5.244 -12.704 1.00 0.00 S ATOM 0 H CYS A 281 -2.760 -8.209 -11.121 1.00 0.00 H new ATOM 0 HA CYS A 281 -2.947 -5.679 -12.592 1.00 0.00 H new ATOM 0 HB2 CYS A 281 -1.249 -6.004 -10.792 1.00 0.00 H new ATOM 0 HB3 CYS A 281 -0.569 -7.349 -11.685 1.00 0.00 H new ATOM 0 HG CYS A 281 0.241 -4.201 -11.967 1.00 0.00 H new ATOM 932 N GLY A 282 -2.754 -6.595 -14.871 1.00 0.00 N ATOM 933 CA GLY A 282 -2.618 -7.100 -16.225 1.00 0.00 C ATOM 934 C GLY A 282 -3.673 -8.132 -16.567 1.00 0.00 C ATOM 935 O GLY A 282 -4.059 -8.274 -17.728 1.00 0.00 O ATOM 0 H GLY A 282 -3.267 -5.717 -14.790 1.00 0.00 H new ATOM 0 HA2 GLY A 282 -2.685 -6.269 -16.928 1.00 0.00 H new ATOM 0 HA3 GLY A 282 -1.629 -7.542 -16.347 1.00 0.00 H new ATOM 939 N ILE A 283 -4.140 -8.857 -15.556 1.00 0.00 N ATOM 940 CA ILE A 283 -5.157 -9.882 -15.756 1.00 0.00 C ATOM 941 C ILE A 283 -6.534 -9.259 -15.959 1.00 0.00 C ATOM 942 O ILE A 283 -7.392 -9.829 -16.630 1.00 0.00 O ATOM 943 CB ILE A 283 -5.217 -10.856 -14.565 1.00 0.00 C ATOM 944 CG1 ILE A 283 -3.870 -11.559 -14.385 1.00 0.00 C ATOM 945 CG2 ILE A 283 -6.329 -11.874 -14.768 1.00 0.00 C ATOM 946 CD1 ILE A 283 -3.984 -12.934 -13.763 1.00 0.00 C ATOM 0 H ILE A 283 -3.830 -8.753 -14.590 1.00 0.00 H new ATOM 0 HA ILE A 283 -4.875 -10.434 -16.652 1.00 0.00 H new ATOM 0 HB ILE A 283 -5.433 -10.287 -13.660 1.00 0.00 H new ATOM 0 HG12 ILE A 283 -3.383 -11.648 -15.356 1.00 0.00 H new ATOM 0 HG13 ILE A 283 -3.226 -10.939 -13.761 1.00 0.00 H new ATOM 0 HG21 ILE A 283 -6.358 -12.555 -13.918 1.00 0.00 H new ATOM 0 HG22 ILE A 283 -7.285 -11.357 -14.852 1.00 0.00 H new ATOM 0 HG23 ILE A 283 -6.142 -12.440 -15.680 1.00 0.00 H new ATOM 0 HD11 ILE A 283 -2.991 -13.373 -13.666 1.00 0.00 H new ATOM 0 HD12 ILE A 283 -4.442 -12.851 -12.777 1.00 0.00 H new ATOM 0 HD13 ILE A 283 -4.601 -13.570 -14.397 1.00 0.00 H new ATOM 958 N ASN A 284 -6.736 -8.083 -15.374 1.00 0.00 N ATOM 959 CA ASN A 284 -8.009 -7.380 -15.491 1.00 0.00 C ATOM 960 C ASN A 284 -7.794 -5.871 -15.555 1.00 0.00 C ATOM 961 O ASN A 284 -7.080 -5.300 -14.731 1.00 0.00 O ATOM 962 CB ASN A 284 -8.917 -7.727 -14.309 1.00 0.00 C ATOM 963 CG ASN A 284 -9.983 -6.675 -14.070 1.00 0.00 C ATOM 964 OD1 ASN A 284 -10.777 -6.366 -14.959 1.00 0.00 O ATOM 965 ND2 ASN A 284 -10.004 -6.118 -12.865 1.00 0.00 N ATOM 0 H ASN A 284 -6.035 -7.597 -14.815 1.00 0.00 H new ATOM 0 HA ASN A 284 -8.488 -7.700 -16.416 1.00 0.00 H new ATOM 0 HB2 ASN A 284 -9.395 -8.689 -14.492 1.00 0.00 H new ATOM 0 HB3 ASN A 284 -8.311 -7.838 -13.409 1.00 0.00 H new ATOM 0 HD21 ASN A 284 -10.698 -5.403 -12.646 1.00 0.00 H new ATOM 0 HD22 ASN A 284 -9.326 -6.405 -12.159 1.00 0.00 H new