USER MOD reduce.3.24.130724 H: found=0, std=0, add=313, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 314 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 Single : A 227 TYR OH : rot 180:sc= 0 USER MOD Single : A 228 THR OG1 : rot 180:sc= -0.814 USER MOD Single : A 234 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 236 LYS NZ :NH3+ -143:sc= 0.541 (180deg=0.149) USER MOD Single : A 241 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00714) USER MOD Single : A 242 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 244 ASN : amide:sc= -0.325 X(o=-0.32,f=0) USER MOD Single : A 248 THR OG1 : rot 180:sc= 0 USER MOD Single : A 256 SER OG : rot 180:sc= 0 USER MOD Single : A 258 SER OG : rot 180:sc= 0 USER MOD Single : A 259 SER OG : rot -35:sc= 0.355 USER MOD Single : A 261 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00235) USER MOD Single : A 264 CYS SG : rot 84:sc= -4.44! USER MOD ----------------------------------------------------------------- ATOM 114 N TYR A 227 -2.384 -15.117 -0.450 1.00 0.00 N ATOM 115 CA TYR A 227 -2.828 -14.223 0.632 1.00 0.00 C ATOM 116 C TYR A 227 -2.923 -12.766 0.122 1.00 0.00 C ATOM 117 O TYR A 227 -2.035 -12.288 -0.594 1.00 0.00 O ATOM 118 CB TYR A 227 -1.839 -14.302 1.825 1.00 0.00 C ATOM 119 CG TYR A 227 -1.807 -15.656 2.564 1.00 0.00 C ATOM 120 CD1 TYR A 227 -2.675 -15.915 3.633 1.00 0.00 C ATOM 121 CD2 TYR A 227 -0.915 -16.670 2.197 1.00 0.00 C ATOM 122 CE1 TYR A 227 -2.642 -17.120 4.310 1.00 0.00 C ATOM 123 CE2 TYR A 227 -0.883 -17.881 2.874 1.00 0.00 C ATOM 124 CZ TYR A 227 -1.750 -18.103 3.926 1.00 0.00 C ATOM 125 OH TYR A 227 -1.726 -19.309 4.601 1.00 0.00 O ATOM 0 HA TYR A 227 -3.816 -14.542 0.965 1.00 0.00 H new ATOM 0 HB2 TYR A 227 -0.836 -14.082 1.460 1.00 0.00 H new ATOM 0 HB3 TYR A 227 -2.096 -13.521 2.541 1.00 0.00 H new ATOM 0 HD1 TYR A 227 -3.384 -15.158 3.934 1.00 0.00 H new ATOM 0 HD2 TYR A 227 -0.239 -16.507 1.371 1.00 0.00 H new ATOM 0 HE1 TYR A 227 -3.313 -17.293 5.138 1.00 0.00 H new ATOM 0 HE2 TYR A 227 -0.182 -18.648 2.579 1.00 0.00 H new ATOM 0 HH TYR A 227 -1.043 -19.891 4.207 1.00 0.00 H new ATOM 135 N THR A 228 -4.031 -12.095 0.476 1.00 0.00 N ATOM 136 CA THR A 228 -4.219 -10.641 0.306 1.00 0.00 C ATOM 137 C THR A 228 -3.770 -9.924 1.609 1.00 0.00 C ATOM 138 O THR A 228 -3.646 -10.596 2.641 1.00 0.00 O ATOM 139 CB THR A 228 -5.730 -10.325 0.002 1.00 0.00 C ATOM 140 OG1 THR A 228 -6.548 -10.723 1.117 1.00 0.00 O ATOM 141 CG2 THR A 228 -6.223 -11.034 -1.279 1.00 0.00 C ATOM 0 H THR A 228 -4.838 -12.555 0.897 1.00 0.00 H new ATOM 0 HA THR A 228 -3.620 -10.285 -0.532 1.00 0.00 H new ATOM 0 HB THR A 228 -5.814 -9.250 -0.157 1.00 0.00 H new ATOM 0 HG1 THR A 228 -7.487 -10.522 0.922 1.00 0.00 H new ATOM 0 HG21 THR A 228 -7.271 -10.788 -1.451 1.00 0.00 H new ATOM 0 HG22 THR A 228 -5.628 -10.702 -2.130 1.00 0.00 H new ATOM 0 HG23 THR A 228 -6.118 -12.113 -1.161 1.00 0.00 H new ATOM 149 N PRO A 229 -3.527 -8.560 1.619 1.00 0.00 N ATOM 150 CA PRO A 229 -3.188 -7.826 2.868 1.00 0.00 C ATOM 151 C PRO A 229 -4.320 -7.931 3.912 1.00 0.00 C ATOM 152 O PRO A 229 -4.063 -7.853 5.116 1.00 0.00 O ATOM 153 CB PRO A 229 -2.969 -6.363 2.392 1.00 0.00 C ATOM 154 CG PRO A 229 -3.723 -6.275 1.101 1.00 0.00 C ATOM 155 CD PRO A 229 -3.550 -7.631 0.455 1.00 0.00 C ATOM 0 HA PRO A 229 -2.310 -8.233 3.370 1.00 0.00 H new ATOM 0 HB2 PRO A 229 -3.346 -5.647 3.122 1.00 0.00 H new ATOM 0 HB3 PRO A 229 -1.910 -6.146 2.250 1.00 0.00 H new ATOM 0 HG2 PRO A 229 -4.776 -6.051 1.273 1.00 0.00 H new ATOM 0 HG3 PRO A 229 -3.328 -5.482 0.466 1.00 0.00 H new ATOM 0 HD2 PRO A 229 -4.369 -7.860 -0.227 1.00 0.00 H new ATOM 0 HD3 PRO A 229 -2.628 -7.687 -0.124 1.00 0.00 H new ATOM 163 N GLU A 230 -5.566 -8.136 3.414 1.00 0.00 N ATOM 164 CA GLU A 230 -6.746 -8.377 4.249 1.00 0.00 C ATOM 165 C GLU A 230 -6.585 -9.667 5.071 1.00 0.00 C ATOM 166 O GLU A 230 -6.911 -9.665 6.240 1.00 0.00 O ATOM 167 CB GLU A 230 -8.034 -8.454 3.391 1.00 0.00 C ATOM 168 CG GLU A 230 -8.453 -7.118 2.752 1.00 0.00 C ATOM 169 CD GLU A 230 -9.754 -7.212 1.937 1.00 0.00 C ATOM 170 OE1 GLU A 230 -9.692 -7.591 0.752 1.00 0.00 O ATOM 171 OE2 GLU A 230 -10.841 -6.908 2.480 1.00 0.00 O ATOM 0 H GLU A 230 -5.770 -8.137 2.415 1.00 0.00 H new ATOM 0 HA GLU A 230 -6.838 -7.535 4.935 1.00 0.00 H new ATOM 0 HB2 GLU A 230 -7.886 -9.190 2.601 1.00 0.00 H new ATOM 0 HB3 GLU A 230 -8.851 -8.816 4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 230 -8.578 -6.372 3.537 1.00 0.00 H new ATOM 0 HG3 GLU A 230 -7.651 -6.767 2.103 1.00 0.00 H new ATOM 178 N GLU A 231 -6.068 -10.754 4.442 1.00 0.00 N ATOM 179 CA GLU A 231 -5.876 -12.067 5.116 1.00 0.00 C ATOM 180 C GLU A 231 -5.002 -11.932 6.380 1.00 0.00 C ATOM 181 O GLU A 231 -5.350 -12.443 7.457 1.00 0.00 O ATOM 182 CB GLU A 231 -5.227 -13.100 4.150 1.00 0.00 C ATOM 183 CG GLU A 231 -6.087 -13.502 2.938 1.00 0.00 C ATOM 184 CD GLU A 231 -7.384 -14.237 3.317 1.00 0.00 C ATOM 185 OE1 GLU A 231 -7.366 -15.485 3.434 1.00 0.00 O ATOM 186 OE2 GLU A 231 -8.431 -13.568 3.483 1.00 0.00 O ATOM 0 H GLU A 231 -5.775 -10.747 3.465 1.00 0.00 H new ATOM 0 HA GLU A 231 -6.864 -12.421 5.410 1.00 0.00 H new ATOM 0 HB2 GLU A 231 -4.285 -12.689 3.786 1.00 0.00 H new ATOM 0 HB3 GLU A 231 -4.985 -13.999 4.716 1.00 0.00 H new ATOM 0 HG2 GLU A 231 -6.340 -12.607 2.370 1.00 0.00 H new ATOM 0 HG3 GLU A 231 -5.497 -14.140 2.281 1.00 0.00 H new ATOM 193 N ILE A 232 -3.870 -11.226 6.233 1.00 0.00 N ATOM 194 CA ILE A 232 -2.903 -11.054 7.322 1.00 0.00 C ATOM 195 C ILE A 232 -3.473 -10.081 8.382 1.00 0.00 C ATOM 196 O ILE A 232 -3.442 -10.367 9.577 1.00 0.00 O ATOM 197 CB ILE A 232 -1.472 -10.586 6.819 1.00 0.00 C ATOM 198 CG1 ILE A 232 -0.798 -11.646 5.869 1.00 0.00 C ATOM 199 CG2 ILE A 232 -0.523 -10.307 8.013 1.00 0.00 C ATOM 200 CD1 ILE A 232 -1.371 -11.758 4.475 1.00 0.00 C ATOM 0 H ILE A 232 -3.603 -10.763 5.364 1.00 0.00 H new ATOM 0 HA ILE A 232 -2.750 -12.033 7.777 1.00 0.00 H new ATOM 0 HB ILE A 232 -1.634 -9.667 6.255 1.00 0.00 H new ATOM 0 HG12 ILE A 232 0.262 -11.405 5.785 1.00 0.00 H new ATOM 0 HG13 ILE A 232 -0.865 -12.624 6.346 1.00 0.00 H new ATOM 0 HG21 ILE A 232 0.450 -9.988 7.638 1.00 0.00 H new ATOM 0 HG22 ILE A 232 -0.946 -9.521 8.638 1.00 0.00 H new ATOM 0 HG23 ILE A 232 -0.404 -11.216 8.603 1.00 0.00 H new ATOM 0 HD11 ILE A 232 -0.825 -12.519 3.917 1.00 0.00 H new ATOM 0 HD12 ILE A 232 -2.423 -12.037 4.535 1.00 0.00 H new ATOM 0 HD13 ILE A 232 -1.279 -10.799 3.966 1.00 0.00 H new ATOM 212 N GLU A 233 -4.056 -8.962 7.932 1.00 0.00 N ATOM 213 CA GLU A 233 -4.623 -7.946 8.844 1.00 0.00 C ATOM 214 C GLU A 233 -5.882 -8.491 9.568 1.00 0.00 C ATOM 215 O GLU A 233 -6.223 -8.034 10.667 1.00 0.00 O ATOM 216 CB GLU A 233 -4.935 -6.634 8.073 1.00 0.00 C ATOM 217 CG GLU A 233 -5.189 -5.402 8.973 1.00 0.00 C ATOM 218 CD GLU A 233 -3.999 -5.079 9.903 1.00 0.00 C ATOM 219 OE1 GLU A 233 -2.985 -4.531 9.419 1.00 0.00 O ATOM 220 OE2 GLU A 233 -4.063 -5.394 11.115 1.00 0.00 O ATOM 0 H GLU A 233 -4.150 -8.733 6.943 1.00 0.00 H new ATOM 0 HA GLU A 233 -3.880 -7.717 9.608 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -4.102 -6.414 7.405 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -5.812 -6.796 7.446 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -5.397 -4.536 8.344 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -6.079 -5.578 9.578 1.00 0.00 H new ATOM 227 N LYS A 234 -6.534 -9.499 8.956 1.00 0.00 N ATOM 228 CA LYS A 234 -7.718 -10.163 9.524 1.00 0.00 C ATOM 229 C LYS A 234 -7.284 -11.125 10.631 1.00 0.00 C ATOM 230 O LYS A 234 -7.916 -11.190 11.682 1.00 0.00 O ATOM 231 CB LYS A 234 -8.504 -10.958 8.448 1.00 0.00 C ATOM 232 CG LYS A 234 -9.951 -11.351 8.843 1.00 0.00 C ATOM 233 CD LYS A 234 -10.934 -10.154 8.779 1.00 0.00 C ATOM 234 CE LYS A 234 -11.091 -9.604 7.345 1.00 0.00 C ATOM 235 NZ LYS A 234 -11.990 -8.430 7.280 1.00 0.00 N ATOM 0 H LYS A 234 -6.251 -9.875 8.051 1.00 0.00 H new ATOM 0 HA LYS A 234 -8.372 -9.388 9.924 1.00 0.00 H new ATOM 0 HB2 LYS A 234 -8.542 -10.363 7.536 1.00 0.00 H new ATOM 0 HB3 LYS A 234 -7.949 -11.866 8.213 1.00 0.00 H new ATOM 0 HG2 LYS A 234 -10.303 -12.141 8.179 1.00 0.00 H new ATOM 0 HG3 LYS A 234 -9.949 -11.761 9.853 1.00 0.00 H new ATOM 0 HD2 LYS A 234 -11.908 -10.466 9.155 1.00 0.00 H new ATOM 0 HD3 LYS A 234 -10.579 -9.359 9.434 1.00 0.00 H new ATOM 0 HE2 LYS A 234 -10.111 -9.328 6.957 1.00 0.00 H new ATOM 0 HE3 LYS A 234 -11.480 -10.391 6.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 234 -12.060 -8.101 6.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 234 -12.934 -8.697 7.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 234 -11.608 -7.667 7.874 1.00 0.00 H new ATOM 249 N LEU A 235 -6.192 -11.881 10.377 1.00 0.00 N ATOM 250 CA LEU A 235 -5.665 -12.834 11.365 1.00 0.00 C ATOM 251 C LEU A 235 -5.162 -12.078 12.603 1.00 0.00 C ATOM 252 O LEU A 235 -5.276 -12.572 13.715 1.00 0.00 O ATOM 253 CB LEU A 235 -4.577 -13.779 10.738 1.00 0.00 C ATOM 254 CG LEU A 235 -3.100 -13.272 10.572 1.00 0.00 C ATOM 255 CD1 LEU A 235 -2.294 -13.391 11.880 1.00 0.00 C ATOM 256 CD2 LEU A 235 -2.384 -14.020 9.430 1.00 0.00 C ATOM 0 H LEU A 235 -5.667 -11.847 9.503 1.00 0.00 H new ATOM 0 HA LEU A 235 -6.472 -13.492 11.688 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -4.543 -14.683 11.346 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -4.932 -14.072 9.750 1.00 0.00 H new ATOM 0 HG LEU A 235 -3.156 -12.214 10.317 1.00 0.00 H new ATOM 0 HD11 LEU A 235 -1.279 -13.029 11.716 1.00 0.00 H new ATOM 0 HD12 LEU A 235 -2.771 -12.794 12.657 1.00 0.00 H new ATOM 0 HD13 LEU A 235 -2.261 -14.435 12.193 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.363 -13.650 9.336 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -2.364 -15.087 9.650 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -2.918 -13.853 8.495 1.00 0.00 H new ATOM 268 N LYS A 236 -4.603 -10.880 12.369 1.00 0.00 N ATOM 269 CA LYS A 236 -4.112 -9.978 13.424 1.00 0.00 C ATOM 270 C LYS A 236 -5.282 -9.359 14.214 1.00 0.00 C ATOM 271 O LYS A 236 -5.193 -9.201 15.438 1.00 0.00 O ATOM 272 CB LYS A 236 -3.238 -8.881 12.775 1.00 0.00 C ATOM 273 CG LYS A 236 -1.904 -9.400 12.176 1.00 0.00 C ATOM 274 CD LYS A 236 -1.314 -8.443 11.112 1.00 0.00 C ATOM 275 CE LYS A 236 -1.039 -7.019 11.632 1.00 0.00 C ATOM 276 NZ LYS A 236 -0.674 -6.087 10.535 1.00 0.00 N ATOM 0 H LYS A 236 -4.477 -10.505 11.429 1.00 0.00 H new ATOM 0 HA LYS A 236 -3.512 -10.546 14.135 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -3.812 -8.394 11.986 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -3.015 -8.120 13.523 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -1.179 -9.536 12.978 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -2.069 -10.379 11.726 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -0.384 -8.866 10.734 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -2.003 -8.384 10.269 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -1.923 -6.644 12.147 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -0.233 -7.050 12.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 0.054 -5.424 10.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -0.303 -6.629 9.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -1.516 -5.555 10.237 1.00 0.00 H new ATOM 290 N GLU A 237 -6.371 -9.023 13.501 1.00 0.00 N ATOM 291 CA GLU A 237 -7.627 -8.534 14.108 1.00 0.00 C ATOM 292 C GLU A 237 -8.176 -9.593 15.091 1.00 0.00 C ATOM 293 O GLU A 237 -8.485 -9.303 16.246 1.00 0.00 O ATOM 294 CB GLU A 237 -8.663 -8.250 12.983 1.00 0.00 C ATOM 295 CG GLU A 237 -9.985 -7.586 13.425 1.00 0.00 C ATOM 296 CD GLU A 237 -9.826 -6.100 13.806 1.00 0.00 C ATOM 297 OE1 GLU A 237 -9.833 -5.239 12.895 1.00 0.00 O ATOM 298 OE2 GLU A 237 -9.685 -5.782 15.009 1.00 0.00 O ATOM 0 H GLU A 237 -6.408 -9.082 12.483 1.00 0.00 H new ATOM 0 HA GLU A 237 -7.437 -7.613 14.659 1.00 0.00 H new ATOM 0 HB2 GLU A 237 -8.191 -7.611 12.237 1.00 0.00 H new ATOM 0 HB3 GLU A 237 -8.901 -9.193 12.491 1.00 0.00 H new ATOM 0 HG2 GLU A 237 -10.713 -7.671 12.618 1.00 0.00 H new ATOM 0 HG3 GLU A 237 -10.389 -8.131 14.278 1.00 0.00 H new ATOM 305 N LEU A 238 -8.219 -10.840 14.597 1.00 0.00 N ATOM 306 CA LEU A 238 -8.712 -12.023 15.330 1.00 0.00 C ATOM 307 C LEU A 238 -7.705 -12.481 16.410 1.00 0.00 C ATOM 308 O LEU A 238 -8.102 -13.102 17.404 1.00 0.00 O ATOM 309 CB LEU A 238 -9.016 -13.177 14.318 1.00 0.00 C ATOM 310 CG LEU A 238 -10.408 -13.147 13.583 1.00 0.00 C ATOM 311 CD1 LEU A 238 -10.753 -11.762 12.988 1.00 0.00 C ATOM 312 CD2 LEU A 238 -10.457 -14.233 12.481 1.00 0.00 C ATOM 0 H LEU A 238 -7.904 -11.062 13.653 1.00 0.00 H new ATOM 0 HA LEU A 238 -9.632 -11.752 15.847 1.00 0.00 H new ATOM 0 HB2 LEU A 238 -8.234 -13.174 13.559 1.00 0.00 H new ATOM 0 HB3 LEU A 238 -8.938 -14.124 14.853 1.00 0.00 H new ATOM 0 HG LEU A 238 -11.164 -13.357 14.340 1.00 0.00 H new ATOM 0 HD11 LEU A 238 -11.724 -11.809 12.496 1.00 0.00 H new ATOM 0 HD12 LEU A 238 -10.787 -11.021 13.787 1.00 0.00 H new ATOM 0 HD13 LEU A 238 -9.991 -11.478 12.262 1.00 0.00 H new ATOM 0 HD21 LEU A 238 -11.425 -14.201 11.981 1.00 0.00 H new ATOM 0 HD22 LEU A 238 -9.667 -14.049 11.753 1.00 0.00 H new ATOM 0 HD23 LEU A 238 -10.314 -15.215 12.931 1.00 0.00 H new ATOM 324 N ARG A 239 -6.406 -12.180 16.194 1.00 0.00 N ATOM 325 CA ARG A 239 -5.308 -12.553 17.114 1.00 0.00 C ATOM 326 C ARG A 239 -5.480 -11.856 18.468 1.00 0.00 C ATOM 327 O ARG A 239 -5.425 -12.490 19.523 1.00 0.00 O ATOM 328 CB ARG A 239 -3.932 -12.174 16.498 1.00 0.00 C ATOM 329 CG ARG A 239 -2.704 -12.639 17.308 1.00 0.00 C ATOM 330 CD ARG A 239 -1.374 -12.079 16.772 1.00 0.00 C ATOM 331 NE ARG A 239 -0.222 -12.609 17.527 1.00 0.00 N ATOM 332 CZ ARG A 239 0.326 -12.053 18.622 1.00 0.00 C ATOM 333 NH1 ARG A 239 -0.126 -10.915 19.129 1.00 0.00 N ATOM 334 NH2 ARG A 239 1.344 -12.658 19.212 1.00 0.00 N ATOM 0 H ARG A 239 -6.087 -11.668 15.371 1.00 0.00 H new ATOM 0 HA ARG A 239 -5.343 -13.632 17.266 1.00 0.00 H new ATOM 0 HB2 ARG A 239 -3.870 -12.599 15.496 1.00 0.00 H new ATOM 0 HB3 ARG A 239 -3.886 -11.091 16.388 1.00 0.00 H new ATOM 0 HG2 ARG A 239 -2.826 -12.334 18.347 1.00 0.00 H new ATOM 0 HG3 ARG A 239 -2.662 -13.728 17.298 1.00 0.00 H new ATOM 0 HD2 ARG A 239 -1.269 -12.335 15.718 1.00 0.00 H new ATOM 0 HD3 ARG A 239 -1.383 -10.991 16.837 1.00 0.00 H new ATOM 0 HE ARG A 239 0.196 -13.475 17.188 1.00 0.00 H new ATOM 0 HH11 ARG A 239 -0.911 -10.436 18.687 1.00 0.00 H new ATOM 0 HH12 ARG A 239 0.311 -10.518 19.961 1.00 0.00 H new ATOM 0 HH21 ARG A 239 1.704 -13.535 18.836 1.00 0.00 H new ATOM 0 HH22 ARG A 239 1.769 -12.247 20.043 1.00 0.00 H new ATOM 348 N ILE A 240 -5.706 -10.539 18.398 1.00 0.00 N ATOM 349 CA ILE A 240 -5.899 -9.689 19.580 1.00 0.00 C ATOM 350 C ILE A 240 -7.294 -9.950 20.190 1.00 0.00 C ATOM 351 O ILE A 240 -7.443 -10.046 21.414 1.00 0.00 O ATOM 352 CB ILE A 240 -5.754 -8.166 19.198 1.00 0.00 C ATOM 353 CG1 ILE A 240 -4.450 -7.927 18.362 1.00 0.00 C ATOM 354 CG2 ILE A 240 -5.776 -7.266 20.463 1.00 0.00 C ATOM 355 CD1 ILE A 240 -4.274 -6.516 17.818 1.00 0.00 C ATOM 0 H ILE A 240 -5.761 -10.030 17.516 1.00 0.00 H new ATOM 0 HA ILE A 240 -5.133 -9.935 20.315 1.00 0.00 H new ATOM 0 HB ILE A 240 -6.609 -7.891 18.581 1.00 0.00 H new ATOM 0 HG12 ILE A 240 -3.589 -8.168 18.986 1.00 0.00 H new ATOM 0 HG13 ILE A 240 -4.442 -8.625 17.525 1.00 0.00 H new ATOM 0 HG21 ILE A 240 -5.674 -6.222 20.168 1.00 0.00 H new ATOM 0 HG22 ILE A 240 -6.720 -7.404 20.991 1.00 0.00 H new ATOM 0 HG23 ILE A 240 -4.950 -7.540 21.119 1.00 0.00 H new ATOM 0 HD11 ILE A 240 -3.342 -6.457 17.255 1.00 0.00 H new ATOM 0 HD12 ILE A 240 -5.110 -6.272 17.162 1.00 0.00 H new ATOM 0 HD13 ILE A 240 -4.244 -5.808 18.646 1.00 0.00 H new ATOM 367 N LYS A 241 -8.295 -10.089 19.302 1.00 0.00 N ATOM 368 CA LYS A 241 -9.717 -10.242 19.673 1.00 0.00 C ATOM 369 C LYS A 241 -9.963 -11.515 20.515 1.00 0.00 C ATOM 370 O LYS A 241 -10.650 -11.472 21.542 1.00 0.00 O ATOM 371 CB LYS A 241 -10.585 -10.286 18.387 1.00 0.00 C ATOM 372 CG LYS A 241 -12.106 -10.292 18.629 1.00 0.00 C ATOM 373 CD LYS A 241 -12.926 -10.409 17.322 1.00 0.00 C ATOM 374 CE LYS A 241 -14.440 -10.265 17.558 1.00 0.00 C ATOM 375 NZ LYS A 241 -14.974 -11.319 18.460 1.00 0.00 N ATOM 0 H LYS A 241 -8.139 -10.099 18.294 1.00 0.00 H new ATOM 0 HA LYS A 241 -9.997 -9.385 20.286 1.00 0.00 H new ATOM 0 HB2 LYS A 241 -10.334 -9.425 17.768 1.00 0.00 H new ATOM 0 HB3 LYS A 241 -10.319 -11.177 17.817 1.00 0.00 H new ATOM 0 HG2 LYS A 241 -12.360 -11.123 19.287 1.00 0.00 H new ATOM 0 HG3 LYS A 241 -12.389 -9.377 19.148 1.00 0.00 H new ATOM 0 HD2 LYS A 241 -12.597 -9.642 16.621 1.00 0.00 H new ATOM 0 HD3 LYS A 241 -12.725 -11.374 16.856 1.00 0.00 H new ATOM 0 HE2 LYS A 241 -14.647 -9.284 17.987 1.00 0.00 H new ATOM 0 HE3 LYS A 241 -14.960 -10.311 16.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 241 -16.002 -11.201 18.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 241 -14.771 -12.256 18.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 241 -14.522 -11.239 19.393 1.00 0.00 H new ATOM 389 N HIS A 242 -9.391 -12.639 20.058 1.00 0.00 N ATOM 390 CA HIS A 242 -9.583 -13.965 20.686 1.00 0.00 C ATOM 391 C HIS A 242 -8.473 -14.259 21.707 1.00 0.00 C ATOM 392 O HIS A 242 -8.752 -14.728 22.819 1.00 0.00 O ATOM 393 CB HIS A 242 -9.625 -15.066 19.593 1.00 0.00 C ATOM 394 CG HIS A 242 -10.870 -15.037 18.749 1.00 0.00 C ATOM 395 ND1 HIS A 242 -11.864 -15.982 18.863 1.00 0.00 N ATOM 396 CD2 HIS A 242 -11.274 -14.188 17.772 1.00 0.00 C ATOM 397 CE1 HIS A 242 -12.830 -15.705 18.017 1.00 0.00 C ATOM 398 NE2 HIS A 242 -12.501 -14.625 17.335 1.00 0.00 N ATOM 0 H HIS A 242 -8.780 -12.659 19.241 1.00 0.00 H new ATOM 0 HA HIS A 242 -10.533 -13.960 21.220 1.00 0.00 H new ATOM 0 HB2 HIS A 242 -8.756 -14.955 18.945 1.00 0.00 H new ATOM 0 HB3 HIS A 242 -9.544 -16.042 20.071 1.00 0.00 H new ATOM 0 HD2 HIS A 242 -10.732 -13.329 17.406 1.00 0.00 H new ATOM 0 HE1 HIS A 242 -13.744 -16.269 17.899 1.00 0.00 H new ATOM 0 HE2 HIS A 242 -13.063 -14.187 16.605 1.00 0.00 H new ATOM 407 N GLY A 243 -7.220 -13.965 21.322 1.00 0.00 N ATOM 408 CA GLY A 243 -6.065 -14.193 22.191 1.00 0.00 C ATOM 409 C GLY A 243 -5.531 -15.620 22.100 1.00 0.00 C ATOM 410 O GLY A 243 -6.019 -16.507 22.806 1.00 0.00 O ATOM 0 H GLY A 243 -6.986 -13.568 20.412 1.00 0.00 H new ATOM 0 HA2 GLY A 243 -5.272 -13.495 21.924 1.00 0.00 H new ATOM 0 HA3 GLY A 243 -6.344 -13.979 23.223 1.00 0.00 H new ATOM 414 N ASN A 244 -4.551 -15.827 21.190 1.00 0.00 N ATOM 415 CA ASN A 244 -3.795 -17.105 21.019 1.00 0.00 C ATOM 416 C ASN A 244 -4.657 -18.255 20.440 1.00 0.00 C ATOM 417 O ASN A 244 -4.198 -19.402 20.372 1.00 0.00 O ATOM 418 CB ASN A 244 -3.113 -17.560 22.351 1.00 0.00 C ATOM 419 CG ASN A 244 -2.125 -16.541 22.949 1.00 0.00 C ATOM 420 OD1 ASN A 244 -1.999 -16.426 24.171 1.00 0.00 O ATOM 421 ND2 ASN A 244 -1.390 -15.821 22.113 1.00 0.00 N ATOM 0 H ASN A 244 -4.253 -15.101 20.538 1.00 0.00 H new ATOM 0 HA ASN A 244 -3.020 -16.884 20.285 1.00 0.00 H new ATOM 0 HB2 ASN A 244 -3.889 -17.769 23.088 1.00 0.00 H new ATOM 0 HB3 ASN A 244 -2.584 -18.496 22.171 1.00 0.00 H new ATOM 0 HD21 ASN A 244 -0.706 -15.158 22.477 1.00 0.00 H new ATOM 0 HD22 ASN A 244 -1.509 -15.930 21.106 1.00 0.00 H new ATOM 428 N ASP A 245 -5.889 -17.937 19.995 1.00 0.00 N ATOM 429 CA ASP A 245 -6.827 -18.919 19.394 1.00 0.00 C ATOM 430 C ASP A 245 -6.526 -19.135 17.897 1.00 0.00 C ATOM 431 O ASP A 245 -7.406 -18.958 17.056 1.00 0.00 O ATOM 432 CB ASP A 245 -8.310 -18.447 19.592 1.00 0.00 C ATOM 433 CG ASP A 245 -8.950 -18.943 20.891 1.00 0.00 C ATOM 434 OD1 ASP A 245 -9.549 -20.044 20.874 1.00 0.00 O ATOM 435 OD2 ASP A 245 -8.856 -18.251 21.925 1.00 0.00 O ATOM 0 H ASP A 245 -6.267 -16.991 20.040 1.00 0.00 H new ATOM 0 HA ASP A 245 -6.690 -19.872 19.904 1.00 0.00 H new ATOM 0 HB2 ASP A 245 -8.339 -17.358 19.577 1.00 0.00 H new ATOM 0 HB3 ASP A 245 -8.907 -18.794 18.749 1.00 0.00 H new ATOM 440 N TRP A 246 -5.289 -19.568 17.586 1.00 0.00 N ATOM 441 CA TRP A 246 -4.802 -19.712 16.196 1.00 0.00 C ATOM 442 C TRP A 246 -5.616 -20.726 15.375 1.00 0.00 C ATOM 443 O TRP A 246 -5.718 -20.577 14.153 1.00 0.00 O ATOM 444 CB TRP A 246 -3.300 -20.073 16.184 1.00 0.00 C ATOM 445 CG TRP A 246 -2.415 -18.928 16.612 1.00 0.00 C ATOM 446 CD1 TRP A 246 -1.825 -18.731 17.833 1.00 0.00 C ATOM 447 CD2 TRP A 246 -2.051 -17.795 15.806 1.00 0.00 C ATOM 448 NE1 TRP A 246 -1.098 -17.564 17.819 1.00 0.00 N ATOM 449 CE2 TRP A 246 -1.226 -16.973 16.589 1.00 0.00 C ATOM 450 CE3 TRP A 246 -2.337 -17.404 14.490 1.00 0.00 C ATOM 451 CZ2 TRP A 246 -0.684 -15.785 16.106 1.00 0.00 C ATOM 452 CZ3 TRP A 246 -1.799 -16.225 14.013 1.00 0.00 C ATOM 453 CH2 TRP A 246 -0.979 -15.427 14.820 1.00 0.00 C ATOM 0 H TRP A 246 -4.598 -19.828 18.289 1.00 0.00 H new ATOM 0 HA TRP A 246 -4.940 -18.745 15.713 1.00 0.00 H new ATOM 0 HB2 TRP A 246 -3.131 -20.923 16.846 1.00 0.00 H new ATOM 0 HB3 TRP A 246 -3.016 -20.389 15.180 1.00 0.00 H new ATOM 0 HD1 TRP A 246 -1.917 -19.394 18.681 1.00 0.00 H new ATOM 0 HE1 TRP A 246 -0.552 -17.197 18.598 1.00 0.00 H new ATOM 0 HE3 TRP A 246 -2.967 -18.014 13.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 246 -0.052 -15.167 16.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 246 -2.014 -15.914 13.002 1.00 0.00 H new ATOM 0 HH2 TRP A 246 -0.572 -14.511 14.419 1.00 0.00 H new ATOM 464 N ALA A 247 -6.189 -21.742 16.045 1.00 0.00 N ATOM 465 CA ALA A 247 -7.058 -22.735 15.386 1.00 0.00 C ATOM 466 C ALA A 247 -8.352 -22.070 14.886 1.00 0.00 C ATOM 467 O ALA A 247 -8.786 -22.311 13.755 1.00 0.00 O ATOM 468 CB ALA A 247 -7.344 -23.910 16.327 1.00 0.00 C ATOM 0 H ALA A 247 -6.066 -21.898 17.045 1.00 0.00 H new ATOM 0 HA ALA A 247 -6.539 -23.136 14.515 1.00 0.00 H new ATOM 0 HB1 ALA A 247 -7.987 -24.632 15.823 1.00 0.00 H new ATOM 0 HB2 ALA A 247 -6.406 -24.391 16.604 1.00 0.00 H new ATOM 0 HB3 ALA A 247 -7.843 -23.544 17.224 1.00 0.00 H new ATOM 474 N THR A 248 -8.919 -21.190 15.731 1.00 0.00 N ATOM 475 CA THR A 248 -10.131 -20.419 15.405 1.00 0.00 C ATOM 476 C THR A 248 -9.833 -19.378 14.299 1.00 0.00 C ATOM 477 O THR A 248 -10.654 -19.153 13.403 1.00 0.00 O ATOM 478 CB THR A 248 -10.683 -19.690 16.679 1.00 0.00 C ATOM 479 OG1 THR A 248 -10.703 -20.598 17.793 1.00 0.00 O ATOM 480 CG2 THR A 248 -12.101 -19.128 16.460 1.00 0.00 C ATOM 0 H THR A 248 -8.548 -20.994 16.661 1.00 0.00 H new ATOM 0 HA THR A 248 -10.885 -21.117 15.042 1.00 0.00 H new ATOM 0 HB THR A 248 -10.017 -18.852 16.884 1.00 0.00 H new ATOM 0 HG1 THR A 248 -11.047 -20.136 18.586 1.00 0.00 H new ATOM 0 HG21 THR A 248 -12.440 -18.632 17.370 1.00 0.00 H new ATOM 0 HG22 THR A 248 -12.085 -18.410 15.640 1.00 0.00 H new ATOM 0 HG23 THR A 248 -12.782 -19.943 16.215 1.00 0.00 H new ATOM 488 N ILE A 249 -8.635 -18.757 14.383 1.00 0.00 N ATOM 489 CA ILE A 249 -8.179 -17.711 13.438 1.00 0.00 C ATOM 490 C ILE A 249 -8.046 -18.293 12.020 1.00 0.00 C ATOM 491 O ILE A 249 -8.693 -17.813 11.078 1.00 0.00 O ATOM 492 CB ILE A 249 -6.803 -17.089 13.910 1.00 0.00 C ATOM 493 CG1 ILE A 249 -6.955 -16.381 15.298 1.00 0.00 C ATOM 494 CG2 ILE A 249 -6.223 -16.118 12.863 1.00 0.00 C ATOM 495 CD1 ILE A 249 -5.644 -15.941 15.931 1.00 0.00 C ATOM 0 H ILE A 249 -7.953 -18.968 15.112 1.00 0.00 H new ATOM 0 HA ILE A 249 -8.925 -16.916 13.421 1.00 0.00 H new ATOM 0 HB ILE A 249 -6.097 -17.913 14.019 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -7.596 -15.508 15.177 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -7.465 -17.059 15.983 1.00 0.00 H new ATOM 0 HG21 ILE A 249 -5.278 -15.713 13.226 1.00 0.00 H new ATOM 0 HG22 ILE A 249 -6.054 -16.651 11.927 1.00 0.00 H new ATOM 0 HG23 ILE A 249 -6.926 -15.302 12.694 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -5.845 -15.461 16.889 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -5.006 -16.811 16.088 1.00 0.00 H new ATOM 0 HD13 ILE A 249 -5.140 -15.236 15.270 1.00 0.00 H new ATOM 507 N GLY A 250 -7.222 -19.353 11.901 1.00 0.00 N ATOM 508 CA GLY A 250 -6.979 -20.027 10.629 1.00 0.00 C ATOM 509 C GLY A 250 -8.254 -20.588 10.016 1.00 0.00 C ATOM 510 O GLY A 250 -8.491 -20.427 8.819 1.00 0.00 O ATOM 0 H GLY A 250 -6.712 -19.758 12.686 1.00 0.00 H new ATOM 0 HA2 GLY A 250 -6.522 -19.326 9.931 1.00 0.00 H new ATOM 0 HA3 GLY A 250 -6.265 -20.837 10.781 1.00 0.00 H new ATOM 514 N ALA A 251 -9.091 -21.224 10.862 1.00 0.00 N ATOM 515 CA ALA A 251 -10.381 -21.804 10.436 1.00 0.00 C ATOM 516 C ALA A 251 -11.357 -20.724 9.924 1.00 0.00 C ATOM 517 O ALA A 251 -12.133 -20.976 8.994 1.00 0.00 O ATOM 518 CB ALA A 251 -11.013 -22.598 11.579 1.00 0.00 C ATOM 0 H ALA A 251 -8.893 -21.349 11.855 1.00 0.00 H new ATOM 0 HA ALA A 251 -10.177 -22.480 9.605 1.00 0.00 H new ATOM 0 HB1 ALA A 251 -11.963 -23.019 11.248 1.00 0.00 H new ATOM 0 HB2 ALA A 251 -10.343 -23.405 11.876 1.00 0.00 H new ATOM 0 HB3 ALA A 251 -11.185 -21.938 12.429 1.00 0.00 H new ATOM 524 N ALA A 252 -11.298 -19.522 10.530 1.00 0.00 N ATOM 525 CA ALA A 252 -12.129 -18.372 10.114 1.00 0.00 C ATOM 526 C ALA A 252 -11.677 -17.835 8.743 1.00 0.00 C ATOM 527 O ALA A 252 -12.493 -17.368 7.949 1.00 0.00 O ATOM 528 CB ALA A 252 -12.074 -17.267 11.173 1.00 0.00 C ATOM 0 H ALA A 252 -10.679 -19.320 11.315 1.00 0.00 H new ATOM 0 HA ALA A 252 -13.161 -18.710 10.018 1.00 0.00 H new ATOM 0 HB1 ALA A 252 -12.690 -16.426 10.854 1.00 0.00 H new ATOM 0 HB2 ALA A 252 -12.449 -17.653 12.121 1.00 0.00 H new ATOM 0 HB3 ALA A 252 -11.044 -16.934 11.299 1.00 0.00 H new ATOM 534 N LEU A 253 -10.360 -17.909 8.489 1.00 0.00 N ATOM 535 CA LEU A 253 -9.754 -17.538 7.189 1.00 0.00 C ATOM 536 C LEU A 253 -9.969 -18.645 6.132 1.00 0.00 C ATOM 537 O LEU A 253 -9.834 -18.399 4.926 1.00 0.00 O ATOM 538 CB LEU A 253 -8.239 -17.297 7.382 1.00 0.00 C ATOM 539 CG LEU A 253 -7.864 -16.184 8.406 1.00 0.00 C ATOM 540 CD1 LEU A 253 -6.365 -16.216 8.731 1.00 0.00 C ATOM 541 CD2 LEU A 253 -8.293 -14.785 7.903 1.00 0.00 C ATOM 0 H LEU A 253 -9.679 -18.228 9.178 1.00 0.00 H new ATOM 0 HA LEU A 253 -10.238 -16.629 6.832 1.00 0.00 H new ATOM 0 HB2 LEU A 253 -7.778 -18.231 7.702 1.00 0.00 H new ATOM 0 HB3 LEU A 253 -7.803 -17.040 6.416 1.00 0.00 H new ATOM 0 HG LEU A 253 -8.412 -16.386 9.326 1.00 0.00 H new ATOM 0 HD11 LEU A 253 -6.131 -15.429 9.448 1.00 0.00 H new ATOM 0 HD12 LEU A 253 -6.106 -17.185 9.158 1.00 0.00 H new ATOM 0 HD13 LEU A 253 -5.791 -16.057 7.818 1.00 0.00 H new ATOM 0 HD21 LEU A 253 -8.016 -14.032 8.641 1.00 0.00 H new ATOM 0 HD22 LEU A 253 -7.793 -14.569 6.959 1.00 0.00 H new ATOM 0 HD23 LEU A 253 -9.373 -14.767 7.754 1.00 0.00 H new ATOM 553 N GLY A 254 -10.267 -19.869 6.604 1.00 0.00 N ATOM 554 CA GLY A 254 -10.354 -21.052 5.735 1.00 0.00 C ATOM 555 C GLY A 254 -8.999 -21.719 5.520 1.00 0.00 C ATOM 556 O GLY A 254 -8.910 -22.744 4.834 1.00 0.00 O ATOM 0 H GLY A 254 -10.452 -20.063 7.588 1.00 0.00 H new ATOM 0 HA2 GLY A 254 -11.044 -21.772 6.175 1.00 0.00 H new ATOM 0 HA3 GLY A 254 -10.769 -20.761 4.770 1.00 0.00 H new ATOM 560 N ARG A 255 -7.942 -21.124 6.104 1.00 0.00 N ATOM 561 CA ARG A 255 -6.564 -21.636 6.035 1.00 0.00 C ATOM 562 C ARG A 255 -6.294 -22.584 7.217 1.00 0.00 C ATOM 563 O ARG A 255 -7.201 -22.910 7.999 1.00 0.00 O ATOM 564 CB ARG A 255 -5.549 -20.450 6.054 1.00 0.00 C ATOM 565 CG ARG A 255 -5.676 -19.445 4.884 1.00 0.00 C ATOM 566 CD ARG A 255 -5.509 -20.113 3.506 1.00 0.00 C ATOM 567 NE ARG A 255 -5.369 -19.129 2.410 1.00 0.00 N ATOM 568 CZ ARG A 255 -6.381 -18.609 1.695 1.00 0.00 C ATOM 569 NH1 ARG A 255 -7.636 -18.962 1.932 1.00 0.00 N ATOM 570 NH2 ARG A 255 -6.123 -17.744 0.727 1.00 0.00 N ATOM 0 H ARG A 255 -8.024 -20.263 6.644 1.00 0.00 H new ATOM 0 HA ARG A 255 -6.439 -22.189 5.104 1.00 0.00 H new ATOM 0 HB2 ARG A 255 -5.669 -19.907 6.991 1.00 0.00 H new ATOM 0 HB3 ARG A 255 -4.539 -20.859 6.050 1.00 0.00 H new ATOM 0 HG2 ARG A 255 -6.651 -18.959 4.932 1.00 0.00 H new ATOM 0 HG3 ARG A 255 -4.924 -18.664 4.998 1.00 0.00 H new ATOM 0 HD2 ARG A 255 -4.631 -20.759 3.524 1.00 0.00 H new ATOM 0 HD3 ARG A 255 -6.371 -20.751 3.309 1.00 0.00 H new ATOM 0 HE ARG A 255 -4.425 -18.819 2.178 1.00 0.00 H new ATOM 0 HH11 ARG A 255 -7.846 -19.638 2.666 1.00 0.00 H new ATOM 0 HH12 ARG A 255 -8.392 -18.558 1.380 1.00 0.00 H new ATOM 0 HH21 ARG A 255 -5.160 -17.475 0.527 1.00 0.00 H new ATOM 0 HH22 ARG A 255 -6.887 -17.346 0.181 1.00 0.00 H new ATOM 584 N SER A 256 -5.043 -23.038 7.325 1.00 0.00 N ATOM 585 CA SER A 256 -4.570 -23.802 8.478 1.00 0.00 C ATOM 586 C SER A 256 -4.200 -22.833 9.619 1.00 0.00 C ATOM 587 O SER A 256 -3.841 -21.673 9.365 1.00 0.00 O ATOM 588 CB SER A 256 -3.342 -24.648 8.082 1.00 0.00 C ATOM 589 OG SER A 256 -3.603 -25.415 6.920 1.00 0.00 O ATOM 0 H SER A 256 -4.329 -22.885 6.613 1.00 0.00 H new ATOM 0 HA SER A 256 -5.361 -24.471 8.817 1.00 0.00 H new ATOM 0 HB2 SER A 256 -2.488 -23.994 7.905 1.00 0.00 H new ATOM 0 HB3 SER A 256 -3.072 -25.310 8.905 1.00 0.00 H new ATOM 0 HG SER A 256 -2.809 -25.940 6.690 1.00 0.00 H new ATOM 595 N ALA A 257 -4.311 -23.310 10.864 1.00 0.00 N ATOM 596 CA ALA A 257 -3.808 -22.587 12.041 1.00 0.00 C ATOM 597 C ALA A 257 -2.294 -22.439 11.935 1.00 0.00 C ATOM 598 O ALA A 257 -1.748 -21.352 12.083 1.00 0.00 O ATOM 599 CB ALA A 257 -4.170 -23.344 13.318 1.00 0.00 C ATOM 0 H ALA A 257 -4.750 -24.204 11.085 1.00 0.00 H new ATOM 0 HA ALA A 257 -4.267 -21.599 12.079 1.00 0.00 H new ATOM 0 HB1 ALA A 257 -3.792 -22.799 14.183 1.00 0.00 H new ATOM 0 HB2 ALA A 257 -5.254 -23.436 13.392 1.00 0.00 H new ATOM 0 HB3 ALA A 257 -3.723 -24.338 13.291 1.00 0.00 H new ATOM 605 N SER A 258 -1.665 -23.574 11.612 1.00 0.00 N ATOM 606 CA SER A 258 -0.218 -23.718 11.496 1.00 0.00 C ATOM 607 C SER A 258 0.375 -22.797 10.413 1.00 0.00 C ATOM 608 O SER A 258 1.449 -22.233 10.614 1.00 0.00 O ATOM 609 CB SER A 258 0.090 -25.194 11.185 1.00 0.00 C ATOM 610 OG SER A 258 -0.601 -25.634 10.023 1.00 0.00 O ATOM 0 H SER A 258 -2.167 -24.441 11.419 1.00 0.00 H new ATOM 0 HA SER A 258 0.245 -23.419 12.436 1.00 0.00 H new ATOM 0 HB2 SER A 258 1.163 -25.321 11.042 1.00 0.00 H new ATOM 0 HB3 SER A 258 -0.194 -25.814 12.036 1.00 0.00 H new ATOM 0 HG SER A 258 -0.384 -26.574 9.850 1.00 0.00 H new ATOM 616 N SER A 259 -0.346 -22.638 9.283 1.00 0.00 N ATOM 617 CA SER A 259 0.134 -21.861 8.128 1.00 0.00 C ATOM 618 C SER A 259 0.241 -20.364 8.478 1.00 0.00 C ATOM 619 O SER A 259 1.315 -19.773 8.350 1.00 0.00 O ATOM 620 CB SER A 259 -0.790 -22.066 6.906 1.00 0.00 C ATOM 621 OG SER A 259 -2.119 -21.649 7.167 1.00 0.00 O ATOM 0 H SER A 259 -1.272 -23.044 9.149 1.00 0.00 H new ATOM 0 HA SER A 259 1.129 -22.223 7.871 1.00 0.00 H new ATOM 0 HB2 SER A 259 -0.396 -21.508 6.056 1.00 0.00 H new ATOM 0 HB3 SER A 259 -0.790 -23.119 6.624 1.00 0.00 H new ATOM 0 HG SER A 259 -2.347 -21.848 8.099 1.00 0.00 H new ATOM 627 N VAL A 260 -0.877 -19.785 8.956 1.00 0.00 N ATOM 628 CA VAL A 260 -0.968 -18.341 9.270 1.00 0.00 C ATOM 629 C VAL A 260 -0.133 -17.974 10.516 1.00 0.00 C ATOM 630 O VAL A 260 0.454 -16.880 10.591 1.00 0.00 O ATOM 631 CB VAL A 260 -2.474 -17.894 9.446 1.00 0.00 C ATOM 632 CG1 VAL A 260 -3.280 -18.193 8.158 1.00 0.00 C ATOM 633 CG2 VAL A 260 -3.146 -18.549 10.682 1.00 0.00 C ATOM 0 H VAL A 260 -1.739 -20.299 9.136 1.00 0.00 H new ATOM 0 HA VAL A 260 -0.548 -17.796 8.424 1.00 0.00 H new ATOM 0 HB VAL A 260 -2.473 -16.818 9.622 1.00 0.00 H new ATOM 0 HG11 VAL A 260 -4.315 -17.879 8.295 1.00 0.00 H new ATOM 0 HG12 VAL A 260 -2.844 -17.648 7.321 1.00 0.00 H new ATOM 0 HG13 VAL A 260 -3.250 -19.262 7.950 1.00 0.00 H new ATOM 0 HG21 VAL A 260 -4.179 -18.209 10.757 1.00 0.00 H new ATOM 0 HG22 VAL A 260 -3.128 -19.633 10.574 1.00 0.00 H new ATOM 0 HG23 VAL A 260 -2.604 -18.265 11.584 1.00 0.00 H new ATOM 643 N LYS A 261 -0.063 -18.916 11.475 1.00 0.00 N ATOM 644 CA LYS A 261 0.714 -18.769 12.718 1.00 0.00 C ATOM 645 C LYS A 261 2.214 -18.718 12.407 1.00 0.00 C ATOM 646 O LYS A 261 2.923 -17.847 12.903 1.00 0.00 O ATOM 647 CB LYS A 261 0.392 -19.945 13.675 1.00 0.00 C ATOM 648 CG LYS A 261 1.131 -19.945 15.026 1.00 0.00 C ATOM 649 CD LYS A 261 0.594 -21.034 15.994 1.00 0.00 C ATOM 650 CE LYS A 261 0.791 -22.473 15.479 1.00 0.00 C ATOM 651 NZ LYS A 261 2.227 -22.847 15.397 1.00 0.00 N ATOM 0 H LYS A 261 -0.550 -19.810 11.407 1.00 0.00 H new ATOM 0 HA LYS A 261 0.438 -17.833 13.205 1.00 0.00 H new ATOM 0 HB2 LYS A 261 -0.680 -19.943 13.871 1.00 0.00 H new ATOM 0 HB3 LYS A 261 0.620 -20.878 13.160 1.00 0.00 H new ATOM 0 HG2 LYS A 261 2.195 -20.107 14.855 1.00 0.00 H new ATOM 0 HG3 LYS A 261 1.029 -18.965 15.493 1.00 0.00 H new ATOM 0 HD2 LYS A 261 1.095 -20.930 16.957 1.00 0.00 H new ATOM 0 HD3 LYS A 261 -0.468 -20.862 16.167 1.00 0.00 H new ATOM 0 HE2 LYS A 261 0.273 -23.168 16.140 1.00 0.00 H new ATOM 0 HE3 LYS A 261 0.335 -22.570 14.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 261 2.312 -23.828 15.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 261 2.714 -22.211 14.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 261 2.662 -22.764 16.338 1.00 0.00 H new ATOM 665 N ASP A 262 2.663 -19.643 11.544 1.00 0.00 N ATOM 666 CA ASP A 262 4.086 -19.787 11.172 1.00 0.00 C ATOM 667 C ASP A 262 4.523 -18.659 10.224 1.00 0.00 C ATOM 668 O ASP A 262 5.677 -18.222 10.258 1.00 0.00 O ATOM 669 CB ASP A 262 4.322 -21.166 10.501 1.00 0.00 C ATOM 670 CG ASP A 262 5.807 -21.541 10.388 1.00 0.00 C ATOM 671 OD1 ASP A 262 6.379 -21.972 11.407 1.00 0.00 O ATOM 672 OD2 ASP A 262 6.410 -21.407 9.301 1.00 0.00 O ATOM 0 H ASP A 262 2.051 -20.315 11.082 1.00 0.00 H new ATOM 0 HA ASP A 262 4.685 -19.722 12.080 1.00 0.00 H new ATOM 0 HB2 ASP A 262 3.803 -21.934 11.074 1.00 0.00 H new ATOM 0 HB3 ASP A 262 3.880 -21.158 9.505 1.00 0.00 H new ATOM 677 N ARG A 263 3.574 -18.199 9.384 1.00 0.00 N ATOM 678 CA ARG A 263 3.807 -17.125 8.396 1.00 0.00 C ATOM 679 C ARG A 263 4.056 -15.794 9.141 1.00 0.00 C ATOM 680 O ARG A 263 4.928 -15.014 8.756 1.00 0.00 O ATOM 681 CB ARG A 263 2.582 -17.031 7.413 1.00 0.00 C ATOM 682 CG ARG A 263 2.863 -16.440 5.995 1.00 0.00 C ATOM 683 CD ARG A 263 3.185 -14.937 5.998 1.00 0.00 C ATOM 684 NE ARG A 263 3.484 -14.419 4.650 1.00 0.00 N ATOM 685 CZ ARG A 263 4.472 -13.561 4.354 1.00 0.00 C ATOM 686 NH1 ARG A 263 5.322 -13.145 5.292 1.00 0.00 N ATOM 687 NH2 ARG A 263 4.612 -13.128 3.109 1.00 0.00 N ATOM 0 H ARG A 263 2.621 -18.563 9.371 1.00 0.00 H new ATOM 0 HA ARG A 263 4.690 -17.346 7.797 1.00 0.00 H new ATOM 0 HB2 ARG A 263 2.168 -18.032 7.288 1.00 0.00 H new ATOM 0 HB3 ARG A 263 1.811 -16.424 7.888 1.00 0.00 H new ATOM 0 HG2 ARG A 263 3.697 -16.979 5.546 1.00 0.00 H new ATOM 0 HG3 ARG A 263 1.993 -16.614 5.361 1.00 0.00 H new ATOM 0 HD2 ARG A 263 2.340 -14.389 6.415 1.00 0.00 H new ATOM 0 HD3 ARG A 263 4.038 -14.753 6.651 1.00 0.00 H new ATOM 0 HE ARG A 263 2.893 -14.738 3.882 1.00 0.00 H new ATOM 0 HH11 ARG A 263 5.227 -13.479 6.251 1.00 0.00 H new ATOM 0 HH12 ARG A 263 6.068 -12.492 5.051 1.00 0.00 H new ATOM 0 HH21 ARG A 263 3.971 -13.447 2.383 1.00 0.00 H new ATOM 0 HH22 ARG A 263 5.361 -12.476 2.877 1.00 0.00 H new ATOM 701 N CYS A 264 3.275 -15.560 10.216 1.00 0.00 N ATOM 702 CA CYS A 264 3.440 -14.379 11.088 1.00 0.00 C ATOM 703 C CYS A 264 4.635 -14.538 12.052 1.00 0.00 C ATOM 704 O CYS A 264 5.299 -13.547 12.391 1.00 0.00 O ATOM 705 CB CYS A 264 2.142 -14.135 11.872 1.00 0.00 C ATOM 706 SG CYS A 264 0.728 -13.817 10.808 1.00 0.00 S ATOM 0 H CYS A 264 2.517 -16.180 10.502 1.00 0.00 H new ATOM 0 HA CYS A 264 3.652 -13.516 10.456 1.00 0.00 H new ATOM 0 HB2 CYS A 264 1.932 -15.004 12.496 1.00 0.00 H new ATOM 0 HB3 CYS A 264 2.283 -13.287 12.543 1.00 0.00 H new ATOM 0 HG CYS A 264 0.217 -14.946 10.416 1.00 0.00 H new ATOM 712 N ARG A 265 4.885 -15.788 12.495 1.00 0.00 N ATOM 713 CA ARG A 265 5.987 -16.125 13.426 1.00 0.00 C ATOM 714 C ARG A 265 7.350 -15.811 12.778 1.00 0.00 C ATOM 715 O ARG A 265 8.252 -15.252 13.416 1.00 0.00 O ATOM 716 CB ARG A 265 5.919 -17.627 13.804 1.00 0.00 C ATOM 717 CG ARG A 265 6.979 -18.097 14.828 1.00 0.00 C ATOM 718 CD ARG A 265 7.165 -19.628 14.837 1.00 0.00 C ATOM 719 NE ARG A 265 7.517 -20.138 13.492 1.00 0.00 N ATOM 720 CZ ARG A 265 8.712 -20.005 12.883 1.00 0.00 C ATOM 721 NH1 ARG A 265 9.747 -19.448 13.506 1.00 0.00 N ATOM 722 NH2 ARG A 265 8.863 -20.445 11.640 1.00 0.00 N ATOM 0 H ARG A 265 4.328 -16.596 12.217 1.00 0.00 H new ATOM 0 HA ARG A 265 5.879 -15.523 14.328 1.00 0.00 H new ATOM 0 HB2 ARG A 265 4.929 -17.839 14.207 1.00 0.00 H new ATOM 0 HB3 ARG A 265 6.027 -18.219 12.895 1.00 0.00 H new ATOM 0 HG2 ARG A 265 7.933 -17.621 14.601 1.00 0.00 H new ATOM 0 HG3 ARG A 265 6.687 -17.765 15.824 1.00 0.00 H new ATOM 0 HD2 ARG A 265 7.948 -19.897 15.546 1.00 0.00 H new ATOM 0 HD3 ARG A 265 6.247 -20.105 15.180 1.00 0.00 H new ATOM 0 HE ARG A 265 6.789 -20.635 12.980 1.00 0.00 H new ATOM 0 HH11 ARG A 265 9.645 -19.112 14.464 1.00 0.00 H new ATOM 0 HH12 ARG A 265 10.643 -19.357 13.026 1.00 0.00 H new ATOM 0 HH21 ARG A 265 8.078 -20.879 11.154 1.00 0.00 H new ATOM 0 HH22 ARG A 265 9.764 -20.349 11.171 1.00 0.00 H new