USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 488 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 26 HIS : no HE2:sc= -13.1! C(o=-17!,f=-20!) USER MOD Set 1.2: A 30 HIS : no HD1:sc= -4.21 K(o=-17,f=-16) USER MOD Set 2.1: A 12 MET CE :methyl 154:sc= -1.21 (180deg=-1.85) USER MOD Set 2.2: A 20 GLN : amide:sc= -0.343 K(o=-1.6,f=-7.5!) USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= -0.0186 (180deg=-0.39) USER MOD Single : A 13 SER OG : rot 180:sc= 0.326 USER MOD Single : A 14 SER OG : rot 180:sc= -0.192 USER MOD Single : A 15 TYR OH : rot 176:sc= -1.9 USER MOD Single : A 21 THR OG1 : rot 104:sc= 1.29 USER MOD Single : A 22 SER OG : rot 86:sc= 0.734 USER MOD Single : A 27 LYS NZ :NH3+ -154:sc= -0.104 (180deg=-0.759) USER MOD Single : A 28 LYS NZ :NH3+ 164:sc= 0.905 (180deg=-0.219) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.308 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0191) USER MOD Single : A 44 CYS SG : rot 114:sc= -6.6! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -160:sc= -0.0463 (180deg=-0.363) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -169:sc= -0.199 (180deg=-0.812) USER MOD Single : A 52 SER OG : rot 170:sc= -0.114 USER MOD Single : A 54 LYS NZ :NH3+ -167:sc=-0.00187 (180deg=-0.177) USER MOD Single : A 56 LYS NZ :NH3+ -147:sc= -0.433 (180deg=-3.93!) USER MOD Single : A 58 LYS NZ :NH3+ -110:sc= 1.02 (180deg=-0.894!) USER MOD Single : A 62 MET CE :methyl -172:sc= -0.494 (180deg=-0.681) USER MOD Single : A 64 LYS NZ :NH3+ -139:sc= -0.147 (180deg=-1.05) USER MOD Single : A 67 LYS NZ :NH3+ -151:sc= -0.531 (180deg=-1.28) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 154 N LYS A 11 -9.287 -5.597 4.003 1.00 0.00 N ATOM 155 CA LYS A 11 -8.825 -4.291 3.423 1.00 0.00 C ATOM 156 C LYS A 11 -7.472 -3.833 4.013 1.00 0.00 C ATOM 157 O LYS A 11 -7.329 -3.649 5.200 1.00 0.00 O ATOM 158 CB LYS A 11 -9.925 -3.195 3.678 1.00 0.00 C ATOM 159 CG LYS A 11 -10.856 -3.585 4.857 1.00 0.00 C ATOM 160 CD LYS A 11 -10.050 -3.664 6.160 1.00 0.00 C ATOM 161 CE LYS A 11 -11.016 -3.707 7.347 1.00 0.00 C ATOM 162 NZ LYS A 11 -12.069 -4.739 7.130 1.00 0.00 N ATOM 0 HA LYS A 11 -8.674 -4.433 2.353 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.445 -2.240 3.893 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.519 -3.057 2.774 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.655 -2.850 4.958 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.330 -4.545 4.654 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.418 -4.552 6.158 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.388 -2.802 6.245 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.466 -3.927 8.262 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.479 -2.730 7.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.520 -4.971 8.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.785 -4.371 6.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.638 -5.596 6.728 1.00 0.00 H new ATOM 176 N MET A 12 -6.509 -3.669 3.141 1.00 0.00 N ATOM 177 CA MET A 12 -5.158 -3.230 3.590 1.00 0.00 C ATOM 178 C MET A 12 -5.106 -1.715 3.803 1.00 0.00 C ATOM 179 O MET A 12 -5.980 -0.991 3.368 1.00 0.00 O ATOM 180 CB MET A 12 -4.143 -3.620 2.471 1.00 0.00 C ATOM 181 CG MET A 12 -3.489 -4.973 2.801 1.00 0.00 C ATOM 182 SD MET A 12 -2.681 -5.857 1.444 1.00 0.00 S ATOM 183 CE MET A 12 -1.780 -4.445 0.764 1.00 0.00 C ATOM 0 H MET A 12 -6.603 -3.821 2.137 1.00 0.00 H new ATOM 0 HA MET A 12 -4.918 -3.710 4.539 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.654 -3.679 1.510 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.377 -2.850 2.379 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.749 -4.808 3.584 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.256 -5.625 3.219 1.00 0.00 H new ATOM 0 HE1 MET A 12 -0.891 -4.798 0.241 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.421 -3.906 0.066 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.484 -3.778 1.574 1.00 0.00 H new ATOM 193 N SER A 13 -4.064 -1.275 4.472 1.00 0.00 N ATOM 194 CA SER A 13 -3.911 0.178 4.736 1.00 0.00 C ATOM 195 C SER A 13 -3.322 0.866 3.508 1.00 0.00 C ATOM 196 O SER A 13 -2.912 0.212 2.577 1.00 0.00 O ATOM 197 CB SER A 13 -2.947 0.356 5.923 1.00 0.00 C ATOM 198 OG SER A 13 -1.740 -0.258 5.489 1.00 0.00 O ATOM 0 H SER A 13 -3.319 -1.865 4.843 1.00 0.00 H new ATOM 0 HA SER A 13 -4.882 0.618 4.962 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.795 1.409 6.158 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.334 -0.119 6.824 1.00 0.00 H new ATOM 0 HG SER A 13 -1.064 -0.186 6.195 1.00 0.00 H new ATOM 204 N SER A 14 -3.273 2.167 3.531 1.00 0.00 N ATOM 205 CA SER A 14 -2.719 2.888 2.372 1.00 0.00 C ATOM 206 C SER A 14 -1.244 2.588 2.203 1.00 0.00 C ATOM 207 O SER A 14 -0.746 2.513 1.097 1.00 0.00 O ATOM 208 CB SER A 14 -2.911 4.382 2.624 1.00 0.00 C ATOM 209 OG SER A 14 -2.056 4.660 3.718 1.00 0.00 O ATOM 0 H SER A 14 -3.593 2.753 4.302 1.00 0.00 H new ATOM 0 HA SER A 14 -3.230 2.573 1.462 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.642 4.972 1.748 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.949 4.616 2.860 1.00 0.00 H new ATOM 0 HG SER A 14 -2.117 5.611 3.948 1.00 0.00 H new ATOM 215 N TYR A 15 -0.568 2.424 3.296 1.00 0.00 N ATOM 216 CA TYR A 15 0.874 2.125 3.211 1.00 0.00 C ATOM 217 C TYR A 15 1.052 0.704 2.735 1.00 0.00 C ATOM 218 O TYR A 15 1.784 0.445 1.809 1.00 0.00 O ATOM 219 CB TYR A 15 1.504 2.277 4.623 1.00 0.00 C ATOM 220 CG TYR A 15 2.880 1.580 4.662 1.00 0.00 C ATOM 221 CD1 TYR A 15 3.777 1.723 3.615 1.00 0.00 C ATOM 222 CD2 TYR A 15 3.219 0.766 5.718 1.00 0.00 C ATOM 223 CE1 TYR A 15 4.977 1.063 3.629 1.00 0.00 C ATOM 224 CE2 TYR A 15 4.425 0.104 5.726 1.00 0.00 C ATOM 225 CZ TYR A 15 5.309 0.249 4.679 1.00 0.00 C ATOM 226 OH TYR A 15 6.489 -0.438 4.667 1.00 0.00 O ATOM 0 H TYR A 15 -0.951 2.484 4.240 1.00 0.00 H new ATOM 0 HA TYR A 15 1.359 2.810 2.515 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.614 3.333 4.870 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.845 1.841 5.374 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.527 2.361 2.780 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.535 0.646 6.545 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.666 1.185 2.806 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.681 -0.534 6.559 1.00 0.00 H new ATOM 0 HH TYR A 15 6.598 -0.916 5.515 1.00 0.00 H new ATOM 236 N ALA A 16 0.386 -0.190 3.395 1.00 0.00 N ATOM 237 CA ALA A 16 0.495 -1.598 3.002 1.00 0.00 C ATOM 238 C ALA A 16 0.171 -1.758 1.524 1.00 0.00 C ATOM 239 O ALA A 16 0.667 -2.656 0.874 1.00 0.00 O ATOM 240 CB ALA A 16 -0.500 -2.415 3.832 1.00 0.00 C ATOM 0 H ALA A 16 -0.227 -0.000 4.188 1.00 0.00 H new ATOM 0 HA ALA A 16 1.512 -1.948 3.177 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.431 -3.466 3.551 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.266 -2.306 4.891 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.512 -2.055 3.645 1.00 0.00 H new ATOM 246 N PHE A 17 -0.650 -0.873 1.007 1.00 0.00 N ATOM 247 CA PHE A 17 -0.997 -0.980 -0.428 1.00 0.00 C ATOM 248 C PHE A 17 0.224 -0.649 -1.261 1.00 0.00 C ATOM 249 O PHE A 17 0.448 -1.223 -2.311 1.00 0.00 O ATOM 250 CB PHE A 17 -2.152 0.038 -0.734 1.00 0.00 C ATOM 251 CG PHE A 17 -3.420 -0.702 -1.193 1.00 0.00 C ATOM 252 CD1 PHE A 17 -3.610 -0.998 -2.531 1.00 0.00 C ATOM 253 CD2 PHE A 17 -4.413 -1.036 -0.287 1.00 0.00 C ATOM 254 CE1 PHE A 17 -4.768 -1.610 -2.954 1.00 0.00 C ATOM 255 CE2 PHE A 17 -5.571 -1.649 -0.716 1.00 0.00 C ATOM 256 CZ PHE A 17 -5.747 -1.933 -2.046 1.00 0.00 C ATOM 0 H PHE A 17 -1.082 -0.100 1.513 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.325 -1.991 -0.670 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.371 0.627 0.157 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.833 0.737 -1.507 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.844 -0.747 -3.249 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.279 -0.815 0.762 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.907 -1.837 -4.001 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.341 -1.906 -0.003 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.656 -2.411 -2.380 1.00 0.00 H new ATOM 266 N PHE A 18 1.001 0.259 -0.761 1.00 0.00 N ATOM 267 CA PHE A 18 2.223 0.660 -1.489 1.00 0.00 C ATOM 268 C PHE A 18 3.306 -0.392 -1.301 1.00 0.00 C ATOM 269 O PHE A 18 4.285 -0.399 -2.023 1.00 0.00 O ATOM 270 CB PHE A 18 2.691 2.039 -0.941 1.00 0.00 C ATOM 271 CG PHE A 18 4.182 2.268 -1.227 1.00 0.00 C ATOM 272 CD1 PHE A 18 5.145 1.771 -0.365 1.00 0.00 C ATOM 273 CD2 PHE A 18 4.584 2.988 -2.338 1.00 0.00 C ATOM 274 CE1 PHE A 18 6.482 1.993 -0.611 1.00 0.00 C ATOM 275 CE2 PHE A 18 5.924 3.206 -2.581 1.00 0.00 C ATOM 276 CZ PHE A 18 6.871 2.708 -1.715 1.00 0.00 C ATOM 0 H PHE A 18 0.842 0.742 0.123 1.00 0.00 H new ATOM 0 HA PHE A 18 2.018 0.744 -2.556 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.103 2.835 -1.399 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.512 2.087 0.133 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.846 1.206 0.505 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.844 3.382 -3.019 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.226 1.603 0.067 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.230 3.768 -3.451 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.920 2.880 -1.905 1.00 0.00 H new ATOM 286 N VAL A 19 3.115 -1.268 -0.322 1.00 0.00 N ATOM 287 CA VAL A 19 4.124 -2.319 -0.088 1.00 0.00 C ATOM 288 C VAL A 19 3.908 -3.445 -1.030 1.00 0.00 C ATOM 289 O VAL A 19 4.832 -3.912 -1.613 1.00 0.00 O ATOM 290 CB VAL A 19 4.034 -2.848 1.362 1.00 0.00 C ATOM 291 CG1 VAL A 19 4.980 -4.052 1.525 1.00 0.00 C ATOM 292 CG2 VAL A 19 4.492 -1.749 2.306 1.00 0.00 C ATOM 0 H VAL A 19 2.310 -1.283 0.304 1.00 0.00 H new ATOM 0 HA VAL A 19 5.112 -1.886 -0.249 1.00 0.00 H new ATOM 0 HB VAL A 19 3.009 -3.146 1.584 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.919 -4.427 2.547 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.689 -4.840 0.831 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.003 -3.742 1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.435 -2.106 3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.521 -1.475 2.074 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.849 -0.877 2.188 1.00 0.00 H new ATOM 302 N GLN A 20 2.687 -3.882 -1.168 1.00 0.00 N ATOM 303 CA GLN A 20 2.469 -4.992 -2.102 1.00 0.00 C ATOM 304 C GLN A 20 2.862 -4.529 -3.470 1.00 0.00 C ATOM 305 O GLN A 20 3.185 -5.314 -4.342 1.00 0.00 O ATOM 306 CB GLN A 20 0.985 -5.423 -2.102 1.00 0.00 C ATOM 307 CG GLN A 20 0.086 -4.224 -2.417 1.00 0.00 C ATOM 308 CD GLN A 20 -1.316 -4.727 -2.787 1.00 0.00 C ATOM 309 OE1 GLN A 20 -1.988 -5.366 -2.001 1.00 0.00 O ATOM 310 NE2 GLN A 20 -1.786 -4.466 -3.978 1.00 0.00 N ATOM 0 H GLN A 20 1.862 -3.525 -0.686 1.00 0.00 H new ATOM 0 HA GLN A 20 3.068 -5.851 -1.799 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.827 -6.209 -2.840 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.720 -5.840 -1.131 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.031 -3.559 -1.555 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.506 -3.645 -3.239 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.226 -3.930 -4.641 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.713 -4.798 -4.245 1.00 0.00 H new ATOM 319 N THR A 21 2.824 -3.232 -3.631 1.00 0.00 N ATOM 320 CA THR A 21 3.190 -2.647 -4.925 1.00 0.00 C ATOM 321 C THR A 21 4.687 -2.638 -5.051 1.00 0.00 C ATOM 322 O THR A 21 5.224 -2.802 -6.130 1.00 0.00 O ATOM 323 CB THR A 21 2.653 -1.213 -4.980 1.00 0.00 C ATOM 324 OG1 THR A 21 1.251 -1.337 -4.876 1.00 0.00 O ATOM 325 CG2 THR A 21 2.877 -0.596 -6.357 1.00 0.00 C ATOM 0 H THR A 21 2.552 -2.562 -2.911 1.00 0.00 H new ATOM 0 HA THR A 21 2.765 -3.229 -5.743 1.00 0.00 H new ATOM 0 HB THR A 21 3.135 -0.611 -4.209 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.967 -1.089 -3.971 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.486 0.422 -6.368 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.944 -0.577 -6.578 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.361 -1.191 -7.111 1.00 0.00 H new ATOM 333 N SER A 22 5.348 -2.456 -3.929 1.00 0.00 N ATOM 334 CA SER A 22 6.832 -2.436 -3.947 1.00 0.00 C ATOM 335 C SER A 22 7.357 -3.857 -3.856 1.00 0.00 C ATOM 336 O SER A 22 8.474 -4.130 -4.214 1.00 0.00 O ATOM 337 CB SER A 22 7.329 -1.653 -2.724 1.00 0.00 C ATOM 338 OG SER A 22 6.984 -0.306 -3.012 1.00 0.00 O ATOM 0 H SER A 22 4.920 -2.322 -3.013 1.00 0.00 H new ATOM 0 HA SER A 22 7.182 -1.970 -4.868 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.851 -2.000 -1.808 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.404 -1.769 -2.587 1.00 0.00 H new ATOM 0 HG SER A 22 6.064 -0.135 -2.721 1.00 0.00 H new ATOM 344 N ARG A 23 6.499 -4.737 -3.397 1.00 0.00 N ATOM 345 CA ARG A 23 6.873 -6.167 -3.253 1.00 0.00 C ATOM 346 C ARG A 23 7.053 -6.826 -4.598 1.00 0.00 C ATOM 347 O ARG A 23 8.107 -7.342 -4.902 1.00 0.00 O ATOM 348 CB ARG A 23 5.741 -6.874 -2.491 1.00 0.00 C ATOM 349 CG ARG A 23 6.183 -8.293 -2.073 1.00 0.00 C ATOM 350 CD ARG A 23 5.394 -8.721 -0.824 1.00 0.00 C ATOM 351 NE ARG A 23 5.487 -10.200 -0.677 1.00 0.00 N ATOM 352 CZ ARG A 23 4.806 -10.970 -1.483 1.00 0.00 C ATOM 353 NH1 ARG A 23 4.059 -10.420 -2.403 1.00 0.00 N ATOM 354 NH2 ARG A 23 4.895 -12.262 -1.341 1.00 0.00 N ATOM 0 H ARG A 23 5.544 -4.515 -3.114 1.00 0.00 H new ATOM 0 HA ARG A 23 7.819 -6.239 -2.717 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.470 -6.295 -1.608 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.852 -6.933 -3.119 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.008 -8.996 -2.887 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.253 -8.307 -1.865 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.795 -8.228 0.062 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.351 -8.416 -0.914 1.00 0.00 H new ATOM 0 HE ARG A 23 6.078 -10.608 0.047 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.014 -9.404 -2.484 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.521 -11.006 -3.041 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.489 -12.655 -0.611 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.371 -12.880 -1.960 1.00 0.00 H new ATOM 368 N GLU A 24 6.020 -6.810 -5.372 1.00 0.00 N ATOM 369 CA GLU A 24 6.108 -7.434 -6.712 1.00 0.00 C ATOM 370 C GLU A 24 7.258 -6.817 -7.490 1.00 0.00 C ATOM 371 O GLU A 24 7.842 -7.444 -8.351 1.00 0.00 O ATOM 372 CB GLU A 24 4.795 -7.168 -7.457 1.00 0.00 C ATOM 373 CG GLU A 24 3.695 -8.048 -6.863 1.00 0.00 C ATOM 374 CD GLU A 24 2.377 -7.774 -7.589 1.00 0.00 C ATOM 375 OE1 GLU A 24 2.363 -7.999 -8.788 1.00 0.00 O ATOM 376 OE2 GLU A 24 1.458 -7.357 -6.904 1.00 0.00 O ATOM 0 H GLU A 24 5.118 -6.394 -5.139 1.00 0.00 H new ATOM 0 HA GLU A 24 6.278 -8.506 -6.612 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.521 -6.116 -7.373 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.915 -7.382 -8.519 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.964 -9.100 -6.959 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.586 -7.843 -5.798 1.00 0.00 H new ATOM 383 N GLU A 25 7.554 -5.584 -7.160 1.00 0.00 N ATOM 384 CA GLU A 25 8.651 -4.868 -7.839 1.00 0.00 C ATOM 385 C GLU A 25 9.997 -5.222 -7.211 1.00 0.00 C ATOM 386 O GLU A 25 11.031 -5.122 -7.844 1.00 0.00 O ATOM 387 CB GLU A 25 8.397 -3.359 -7.668 1.00 0.00 C ATOM 388 CG GLU A 25 7.225 -2.937 -8.560 1.00 0.00 C ATOM 389 CD GLU A 25 7.693 -2.854 -10.014 1.00 0.00 C ATOM 390 OE1 GLU A 25 8.205 -1.801 -10.359 1.00 0.00 O ATOM 391 OE2 GLU A 25 7.514 -3.848 -10.699 1.00 0.00 O ATOM 0 H GLU A 25 7.071 -5.047 -6.440 1.00 0.00 H new ATOM 0 HA GLU A 25 8.680 -5.150 -8.892 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.175 -3.132 -6.625 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.292 -2.796 -7.933 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.409 -3.654 -8.470 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.837 -1.971 -8.236 1.00 0.00 H new ATOM 398 N HIS A 26 9.950 -5.634 -5.970 1.00 0.00 N ATOM 399 CA HIS A 26 11.206 -6.010 -5.247 1.00 0.00 C ATOM 400 C HIS A 26 11.612 -7.449 -5.581 1.00 0.00 C ATOM 401 O HIS A 26 12.772 -7.782 -5.595 1.00 0.00 O ATOM 402 CB HIS A 26 10.916 -5.870 -3.718 1.00 0.00 C ATOM 403 CG HIS A 26 11.685 -6.897 -2.877 1.00 0.00 C ATOM 404 ND1 HIS A 26 12.583 -6.622 -2.059 1.00 0.00 N ATOM 405 CD2 HIS A 26 11.518 -8.263 -2.798 1.00 0.00 C ATOM 406 CE1 HIS A 26 13.001 -7.658 -1.466 1.00 0.00 C ATOM 407 NE2 HIS A 26 12.380 -8.764 -1.872 1.00 0.00 N ATOM 0 H HIS A 26 9.094 -5.727 -5.423 1.00 0.00 H new ATOM 0 HA HIS A 26 12.029 -5.362 -5.548 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.183 -4.865 -3.392 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.847 -5.989 -3.542 1.00 0.00 H new ATOM 0 HD1 HIS A 26 12.937 -5.680 -1.889 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.815 -8.843 -3.378 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.776 -7.647 -0.714 1.00 0.00 H new ATOM 415 N LYS A 27 10.651 -8.268 -5.843 1.00 0.00 N ATOM 416 CA LYS A 27 10.984 -9.664 -6.170 1.00 0.00 C ATOM 417 C LYS A 27 11.812 -9.734 -7.457 1.00 0.00 C ATOM 418 O LYS A 27 12.320 -10.779 -7.812 1.00 0.00 O ATOM 419 CB LYS A 27 9.672 -10.438 -6.380 1.00 0.00 C ATOM 420 CG LYS A 27 9.020 -10.696 -5.021 1.00 0.00 C ATOM 421 CD LYS A 27 7.675 -11.389 -5.233 1.00 0.00 C ATOM 422 CE LYS A 27 7.144 -11.869 -3.883 1.00 0.00 C ATOM 423 NZ LYS A 27 8.050 -12.901 -3.305 1.00 0.00 N ATOM 0 H LYS A 27 9.658 -8.035 -5.845 1.00 0.00 H new ATOM 0 HA LYS A 27 11.566 -10.095 -5.355 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.997 -9.868 -7.019 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.870 -11.382 -6.888 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.670 -11.317 -4.405 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.878 -9.756 -4.488 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.966 -10.701 -5.694 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.789 -12.232 -5.914 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.059 -11.026 -3.198 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.143 -12.282 -4.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.510 -13.518 -2.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.460 -13.472 -4.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.813 -12.435 -2.774 1.00 0.00 H new ATOM 437 N LYS A 28 11.933 -8.599 -8.119 1.00 0.00 N ATOM 438 CA LYS A 28 12.718 -8.548 -9.395 1.00 0.00 C ATOM 439 C LYS A 28 14.205 -8.270 -9.159 1.00 0.00 C ATOM 440 O LYS A 28 14.989 -8.332 -10.086 1.00 0.00 O ATOM 441 CB LYS A 28 12.142 -7.406 -10.252 1.00 0.00 C ATOM 442 CG LYS A 28 10.659 -7.683 -10.520 1.00 0.00 C ATOM 443 CD LYS A 28 10.112 -6.630 -11.489 1.00 0.00 C ATOM 444 CE LYS A 28 8.763 -7.105 -12.034 1.00 0.00 C ATOM 445 NZ LYS A 28 7.966 -7.760 -10.957 1.00 0.00 N ATOM 0 H LYS A 28 11.522 -7.712 -7.829 1.00 0.00 H new ATOM 0 HA LYS A 28 12.638 -9.518 -9.885 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.260 -6.453 -9.737 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.687 -7.330 -11.193 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.534 -8.681 -10.941 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.099 -7.659 -9.585 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.996 -5.674 -10.979 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.814 -6.472 -12.308 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.210 -6.258 -12.440 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.922 -7.805 -12.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.972 -7.831 -11.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.343 -8.712 -10.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.026 -7.193 -10.087 1.00 0.00 H new ATOM 459 N LYS A 29 14.577 -7.964 -7.933 1.00 0.00 N ATOM 460 CA LYS A 29 16.024 -7.687 -7.662 1.00 0.00 C ATOM 461 C LYS A 29 16.379 -7.837 -6.173 1.00 0.00 C ATOM 462 O LYS A 29 17.072 -7.014 -5.613 1.00 0.00 O ATOM 463 CB LYS A 29 16.351 -6.243 -8.136 1.00 0.00 C ATOM 464 CG LYS A 29 15.428 -5.233 -7.425 1.00 0.00 C ATOM 465 CD LYS A 29 15.296 -3.960 -8.264 1.00 0.00 C ATOM 466 CE LYS A 29 14.302 -3.023 -7.570 1.00 0.00 C ATOM 467 NZ LYS A 29 14.112 -1.775 -8.358 1.00 0.00 N ATOM 0 H LYS A 29 13.955 -7.896 -7.127 1.00 0.00 H new ATOM 0 HA LYS A 29 16.618 -8.419 -8.208 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.394 -6.009 -7.922 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.223 -6.168 -9.216 1.00 0.00 H new ATOM 0 HG2 LYS A 29 14.445 -5.676 -7.266 1.00 0.00 H new ATOM 0 HG3 LYS A 29 15.831 -4.990 -6.442 1.00 0.00 H new ATOM 0 HD2 LYS A 29 16.266 -3.473 -8.369 1.00 0.00 H new ATOM 0 HD3 LYS A 29 14.950 -4.202 -9.269 1.00 0.00 H new ATOM 0 HE2 LYS A 29 13.345 -3.529 -7.446 1.00 0.00 H new ATOM 0 HE3 LYS A 29 14.664 -2.776 -6.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 13.435 -1.155 -7.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.023 -1.284 -8.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 13.745 -2.013 -9.302 1.00 0.00 H new ATOM 481 N HIS A 30 15.886 -8.903 -5.572 1.00 0.00 N ATOM 482 CA HIS A 30 16.171 -9.158 -4.119 1.00 0.00 C ATOM 483 C HIS A 30 16.085 -10.677 -3.827 1.00 0.00 C ATOM 484 O HIS A 30 15.193 -11.131 -3.133 1.00 0.00 O ATOM 485 CB HIS A 30 15.109 -8.450 -3.244 1.00 0.00 C ATOM 486 CG HIS A 30 15.349 -6.939 -3.195 1.00 0.00 C ATOM 487 ND1 HIS A 30 15.864 -6.331 -2.233 1.00 0.00 N ATOM 488 CD2 HIS A 30 15.000 -5.965 -4.098 1.00 0.00 C ATOM 489 CE1 HIS A 30 15.873 -5.081 -2.428 1.00 0.00 C ATOM 490 NE2 HIS A 30 15.345 -4.748 -3.600 1.00 0.00 N ATOM 0 H HIS A 30 15.300 -9.604 -6.026 1.00 0.00 H new ATOM 0 HA HIS A 30 17.168 -8.780 -3.891 1.00 0.00 H new ATOM 0 HB2 HIS A 30 14.114 -8.650 -3.642 1.00 0.00 H new ATOM 0 HB3 HIS A 30 15.136 -8.858 -2.234 1.00 0.00 H new ATOM 0 HD2 HIS A 30 14.526 -6.138 -5.053 1.00 0.00 H new ATOM 0 HE1 HIS A 30 16.266 -4.365 -1.721 1.00 0.00 H new ATOM 0 HE2 HIS A 30 15.229 -3.824 -4.016 1.00 0.00 H new ATOM 498 N PRO A 31 17.011 -11.444 -4.381 1.00 0.00 N ATOM 499 CA PRO A 31 17.019 -12.892 -4.167 1.00 0.00 C ATOM 500 C PRO A 31 17.530 -13.251 -2.765 1.00 0.00 C ATOM 501 O PRO A 31 17.223 -14.304 -2.240 1.00 0.00 O ATOM 502 CB PRO A 31 17.998 -13.442 -5.254 1.00 0.00 C ATOM 503 CG PRO A 31 18.738 -12.205 -5.869 1.00 0.00 C ATOM 504 CD PRO A 31 18.071 -10.934 -5.272 1.00 0.00 C ATOM 0 HA PRO A 31 16.017 -13.316 -4.242 1.00 0.00 H new ATOM 0 HB2 PRO A 31 18.711 -14.139 -4.814 1.00 0.00 H new ATOM 0 HB3 PRO A 31 17.453 -13.988 -6.024 1.00 0.00 H new ATOM 0 HG2 PRO A 31 19.801 -12.232 -5.628 1.00 0.00 H new ATOM 0 HG3 PRO A 31 18.657 -12.209 -6.956 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.793 -10.330 -4.722 1.00 0.00 H new ATOM 0 HD3 PRO A 31 17.657 -10.300 -6.056 1.00 0.00 H new ATOM 512 N ASP A 32 18.290 -12.358 -2.196 1.00 0.00 N ATOM 513 CA ASP A 32 18.844 -12.606 -0.831 1.00 0.00 C ATOM 514 C ASP A 32 17.845 -12.266 0.268 1.00 0.00 C ATOM 515 O ASP A 32 17.749 -12.959 1.261 1.00 0.00 O ATOM 516 CB ASP A 32 20.086 -11.717 -0.659 1.00 0.00 C ATOM 517 CG ASP A 32 20.936 -11.787 -1.929 1.00 0.00 C ATOM 518 OD1 ASP A 32 21.605 -12.795 -2.079 1.00 0.00 O ATOM 519 OD2 ASP A 32 20.867 -10.827 -2.681 1.00 0.00 O ATOM 0 H ASP A 32 18.553 -11.466 -2.615 1.00 0.00 H new ATOM 0 HA ASP A 32 19.083 -13.666 -0.743 1.00 0.00 H new ATOM 0 HB2 ASP A 32 19.786 -10.687 -0.464 1.00 0.00 H new ATOM 0 HB3 ASP A 32 20.668 -12.048 0.201 1.00 0.00 H new ATOM 524 N ALA A 33 17.125 -11.213 0.072 1.00 0.00 N ATOM 525 CA ALA A 33 16.131 -10.807 1.093 1.00 0.00 C ATOM 526 C ALA A 33 15.085 -11.896 1.326 1.00 0.00 C ATOM 527 O ALA A 33 14.689 -12.141 2.448 1.00 0.00 O ATOM 528 CB ALA A 33 15.420 -9.538 0.596 1.00 0.00 C ATOM 0 H ALA A 33 17.178 -10.612 -0.750 1.00 0.00 H new ATOM 0 HA ALA A 33 16.652 -10.631 2.034 1.00 0.00 H new ATOM 0 HB1 ALA A 33 14.683 -9.221 1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 33 16.152 -8.744 0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.920 -9.748 -0.350 1.00 0.00 H new ATOM 534 N SER A 34 14.651 -12.522 0.264 1.00 0.00 N ATOM 535 CA SER A 34 13.633 -13.593 0.404 1.00 0.00 C ATOM 536 C SER A 34 12.357 -13.048 1.047 1.00 0.00 C ATOM 537 O SER A 34 11.406 -13.773 1.249 1.00 0.00 O ATOM 538 CB SER A 34 14.217 -14.713 1.290 1.00 0.00 C ATOM 539 OG SER A 34 15.616 -14.633 1.067 1.00 0.00 O ATOM 0 H SER A 34 14.959 -12.336 -0.690 1.00 0.00 H new ATOM 0 HA SER A 34 13.381 -13.979 -0.584 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.971 -14.560 2.341 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.823 -15.690 1.010 1.00 0.00 H new ATOM 0 HG SER A 34 16.072 -15.318 1.600 1.00 0.00 H new ATOM 545 N VAL A 35 12.373 -11.771 1.343 1.00 0.00 N ATOM 546 CA VAL A 35 11.192 -11.119 1.973 1.00 0.00 C ATOM 547 C VAL A 35 10.639 -11.919 3.157 1.00 0.00 C ATOM 548 O VAL A 35 9.711 -12.693 3.012 1.00 0.00 O ATOM 549 CB VAL A 35 10.101 -10.981 0.901 1.00 0.00 C ATOM 550 CG1 VAL A 35 8.879 -10.242 1.495 1.00 0.00 C ATOM 551 CG2 VAL A 35 10.666 -10.175 -0.274 1.00 0.00 C ATOM 0 H VAL A 35 13.164 -11.150 1.172 1.00 0.00 H new ATOM 0 HA VAL A 35 11.502 -10.149 2.361 1.00 0.00 H new ATOM 0 HB VAL A 35 9.789 -11.968 0.560 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.106 -10.145 0.732 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.487 -10.808 2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.182 -9.251 1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.901 -10.069 -1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.969 -9.188 0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.530 -10.694 -0.690 1.00 0.00 H new ATOM 561 N ASN A 36 11.220 -11.703 4.316 1.00 0.00 N ATOM 562 CA ASN A 36 10.752 -12.432 5.530 1.00 0.00 C ATOM 563 C ASN A 36 9.542 -11.727 6.139 1.00 0.00 C ATOM 564 O ASN A 36 9.082 -12.088 7.205 1.00 0.00 O ATOM 565 CB ASN A 36 11.888 -12.423 6.569 1.00 0.00 C ATOM 566 CG ASN A 36 13.151 -13.024 5.950 1.00 0.00 C ATOM 567 OD1 ASN A 36 13.291 -14.227 5.844 1.00 0.00 O ATOM 568 ND2 ASN A 36 14.094 -12.225 5.533 1.00 0.00 N ATOM 0 H ASN A 36 11.994 -11.056 4.468 1.00 0.00 H new ATOM 0 HA ASN A 36 10.476 -13.450 5.254 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.083 -11.403 6.901 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.594 -12.995 7.449 1.00 0.00 H new ATOM 0 HD21 ASN A 36 14.944 -12.610 5.120 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.982 -11.215 5.619 1.00 0.00 H new ATOM 575 N PHE A 37 9.052 -10.732 5.441 1.00 0.00 N ATOM 576 CA PHE A 37 7.872 -9.978 5.950 1.00 0.00 C ATOM 577 C PHE A 37 8.148 -9.478 7.375 1.00 0.00 C ATOM 578 O PHE A 37 7.257 -9.308 8.189 1.00 0.00 O ATOM 579 CB PHE A 37 6.620 -10.916 5.891 1.00 0.00 C ATOM 580 CG PHE A 37 5.861 -10.633 4.586 1.00 0.00 C ATOM 581 CD1 PHE A 37 5.094 -9.486 4.463 1.00 0.00 C ATOM 582 CD2 PHE A 37 5.987 -11.477 3.499 1.00 0.00 C ATOM 583 CE1 PHE A 37 4.470 -9.189 3.272 1.00 0.00 C ATOM 584 CE2 PHE A 37 5.361 -11.175 2.306 1.00 0.00 C ATOM 585 CZ PHE A 37 4.603 -10.030 2.195 1.00 0.00 C ATOM 0 H PHE A 37 9.419 -10.413 4.544 1.00 0.00 H new ATOM 0 HA PHE A 37 7.678 -9.101 5.332 1.00 0.00 H new ATOM 0 HB2 PHE A 37 6.927 -11.961 5.932 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.974 -10.740 6.751 1.00 0.00 H new ATOM 0 HD1 PHE A 37 4.985 -8.821 5.307 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.578 -12.377 3.583 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.874 -8.292 3.185 1.00 0.00 H new ATOM 0 HE2 PHE A 37 5.466 -11.837 1.459 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.114 -9.794 1.261 1.00 0.00 H new ATOM 595 N SER A 38 9.406 -9.238 7.617 1.00 0.00 N ATOM 596 CA SER A 38 9.857 -8.744 8.943 1.00 0.00 C ATOM 597 C SER A 38 11.095 -7.902 8.732 1.00 0.00 C ATOM 598 O SER A 38 11.663 -7.364 9.665 1.00 0.00 O ATOM 599 CB SER A 38 10.211 -9.949 9.831 1.00 0.00 C ATOM 600 OG SER A 38 8.951 -10.452 10.252 1.00 0.00 O ATOM 0 H SER A 38 10.154 -9.367 6.936 1.00 0.00 H new ATOM 0 HA SER A 38 9.074 -8.156 9.421 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.775 -10.700 9.278 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.825 -9.651 10.681 1.00 0.00 H new ATOM 0 HG SER A 38 9.087 -11.233 10.829 1.00 0.00 H new ATOM 606 N GLU A 39 11.478 -7.812 7.467 1.00 0.00 N ATOM 607 CA GLU A 39 12.677 -7.022 7.067 1.00 0.00 C ATOM 608 C GLU A 39 12.383 -6.260 5.781 1.00 0.00 C ATOM 609 O GLU A 39 13.026 -5.273 5.476 1.00 0.00 O ATOM 610 CB GLU A 39 13.837 -8.010 6.797 1.00 0.00 C ATOM 611 CG GLU A 39 14.423 -8.494 8.133 1.00 0.00 C ATOM 612 CD GLU A 39 15.352 -7.418 8.705 1.00 0.00 C ATOM 613 OE1 GLU A 39 16.518 -7.467 8.353 1.00 0.00 O ATOM 614 OE2 GLU A 39 14.841 -6.608 9.462 1.00 0.00 O ATOM 0 H GLU A 39 10.994 -8.265 6.692 1.00 0.00 H new ATOM 0 HA GLU A 39 12.938 -6.318 7.857 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.477 -8.860 6.217 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.611 -7.524 6.203 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.620 -8.708 8.838 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.973 -9.423 7.985 1.00 0.00 H new ATOM 621 N PHE A 40 11.402 -6.738 5.048 1.00 0.00 N ATOM 622 CA PHE A 40 11.031 -6.072 3.774 1.00 0.00 C ATOM 623 C PHE A 40 10.165 -4.837 4.023 1.00 0.00 C ATOM 624 O PHE A 40 10.486 -3.768 3.566 1.00 0.00 O ATOM 625 CB PHE A 40 10.256 -7.069 2.908 1.00 0.00 C ATOM 626 CG PHE A 40 9.874 -6.386 1.601 1.00 0.00 C ATOM 627 CD1 PHE A 40 10.854 -5.899 0.750 1.00 0.00 C ATOM 628 CD2 PHE A 40 8.547 -6.212 1.263 1.00 0.00 C ATOM 629 CE1 PHE A 40 10.509 -5.250 -0.406 1.00 0.00 C ATOM 630 CE2 PHE A 40 8.204 -5.564 0.103 1.00 0.00 C ATOM 631 CZ PHE A 40 9.184 -5.079 -0.733 1.00 0.00 C ATOM 0 H PHE A 40 10.848 -7.561 5.284 1.00 0.00 H new ATOM 0 HA PHE A 40 11.942 -5.749 3.270 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.865 -7.951 2.710 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.363 -7.410 3.431 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.896 -6.032 1.000 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.773 -6.588 1.916 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.279 -4.872 -1.062 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.163 -5.434 -0.154 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.913 -4.565 -1.644 1.00 0.00 H new ATOM 641 N SER A 41 9.044 -5.021 4.675 1.00 0.00 N ATOM 642 CA SER A 41 8.168 -3.851 4.953 1.00 0.00 C ATOM 643 C SER A 41 8.974 -2.771 5.642 1.00 0.00 C ATOM 644 O SER A 41 8.700 -1.614 5.502 1.00 0.00 O ATOM 645 CB SER A 41 7.024 -4.295 5.886 1.00 0.00 C ATOM 646 OG SER A 41 6.375 -5.341 5.174 1.00 0.00 O ATOM 0 H SER A 41 8.704 -5.918 5.021 1.00 0.00 H new ATOM 0 HA SER A 41 7.762 -3.465 4.018 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.406 -4.644 6.845 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.340 -3.473 6.096 1.00 0.00 H new ATOM 0 HG SER A 41 5.627 -5.684 5.706 1.00 0.00 H new ATOM 652 N LYS A 42 9.951 -3.167 6.399 1.00 0.00 N ATOM 653 CA LYS A 42 10.762 -2.154 7.077 1.00 0.00 C ATOM 654 C LYS A 42 11.419 -1.286 6.012 1.00 0.00 C ATOM 655 O LYS A 42 11.652 -0.107 6.199 1.00 0.00 O ATOM 656 CB LYS A 42 11.844 -2.877 7.909 1.00 0.00 C ATOM 657 CG LYS A 42 12.312 -1.957 9.041 1.00 0.00 C ATOM 658 CD LYS A 42 13.464 -2.635 9.801 1.00 0.00 C ATOM 659 CE LYS A 42 12.981 -3.973 10.392 1.00 0.00 C ATOM 660 NZ LYS A 42 13.790 -4.331 11.589 1.00 0.00 N ATOM 0 H LYS A 42 10.214 -4.137 6.571 1.00 0.00 H new ATOM 0 HA LYS A 42 10.153 -1.533 7.734 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.444 -3.804 8.320 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.687 -3.148 7.273 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.641 -1.000 8.635 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.486 -1.748 9.720 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.305 -2.806 9.129 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.821 -1.982 10.598 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.928 -3.899 10.665 1.00 0.00 H new ATOM 0 HE3 LYS A 42 13.061 -4.760 9.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.454 -5.235 11.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.790 -4.421 11.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.692 -3.587 12.309 1.00 0.00 H new ATOM 674 N LYS A 43 11.691 -1.916 4.900 1.00 0.00 N ATOM 675 CA LYS A 43 12.322 -1.221 3.775 1.00 0.00 C ATOM 676 C LYS A 43 11.295 -0.348 3.032 1.00 0.00 C ATOM 677 O LYS A 43 11.508 0.834 2.842 1.00 0.00 O ATOM 678 CB LYS A 43 12.879 -2.313 2.801 1.00 0.00 C ATOM 679 CG LYS A 43 14.296 -1.926 2.320 1.00 0.00 C ATOM 680 CD LYS A 43 15.348 -2.371 3.360 1.00 0.00 C ATOM 681 CE LYS A 43 16.734 -2.327 2.722 1.00 0.00 C ATOM 682 NZ LYS A 43 17.137 -0.920 2.443 1.00 0.00 N ATOM 0 H LYS A 43 11.493 -2.903 4.735 1.00 0.00 H new ATOM 0 HA LYS A 43 13.119 -0.572 4.137 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.909 -3.279 3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 43 12.213 -2.421 1.945 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.503 -2.395 1.358 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.356 -0.848 2.169 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.315 -1.717 4.231 1.00 0.00 H new ATOM 0 HD3 LYS A 43 15.127 -3.380 3.710 1.00 0.00 H new ATOM 0 HE2 LYS A 43 17.461 -2.795 3.386 1.00 0.00 H new ATOM 0 HE3 LYS A 43 16.733 -2.901 1.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 18.114 -0.903 2.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 16.502 -0.512 1.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 17.077 -0.362 3.318 1.00 0.00 H new ATOM 696 N CYS A 44 10.193 -0.954 2.625 1.00 0.00 N ATOM 697 CA CYS A 44 9.178 -0.172 1.910 1.00 0.00 C ATOM 698 C CYS A 44 8.727 0.994 2.755 1.00 0.00 C ATOM 699 O CYS A 44 8.425 2.055 2.252 1.00 0.00 O ATOM 700 CB CYS A 44 8.001 -1.081 1.622 1.00 0.00 C ATOM 701 SG CYS A 44 8.344 -2.621 0.736 1.00 0.00 S ATOM 0 H CYS A 44 9.975 -1.941 2.765 1.00 0.00 H new ATOM 0 HA CYS A 44 9.594 0.218 0.981 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.530 -1.335 2.572 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.270 -0.515 1.045 1.00 0.00 H new ATOM 0 HG CYS A 44 8.106 -3.633 1.516 1.00 0.00 H new ATOM 707 N SER A 45 8.682 0.769 4.028 1.00 0.00 N ATOM 708 CA SER A 45 8.256 1.857 4.946 1.00 0.00 C ATOM 709 C SER A 45 9.191 3.039 4.789 1.00 0.00 C ATOM 710 O SER A 45 8.766 4.178 4.738 1.00 0.00 O ATOM 711 CB SER A 45 8.348 1.346 6.399 1.00 0.00 C ATOM 712 OG SER A 45 8.281 2.527 7.187 1.00 0.00 O ATOM 0 H SER A 45 8.920 -0.116 4.476 1.00 0.00 H new ATOM 0 HA SER A 45 7.235 2.157 4.712 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.531 0.663 6.634 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.277 0.803 6.573 1.00 0.00 H new ATOM 0 HG SER A 45 8.332 2.290 8.137 1.00 0.00 H new ATOM 718 N GLU A 46 10.459 2.743 4.720 1.00 0.00 N ATOM 719 CA GLU A 46 11.451 3.825 4.566 1.00 0.00 C ATOM 720 C GLU A 46 11.318 4.442 3.173 1.00 0.00 C ATOM 721 O GLU A 46 11.887 5.481 2.897 1.00 0.00 O ATOM 722 CB GLU A 46 12.877 3.198 4.740 1.00 0.00 C ATOM 723 CG GLU A 46 13.772 4.141 5.564 1.00 0.00 C ATOM 724 CD GLU A 46 14.045 5.416 4.765 1.00 0.00 C ATOM 725 OE1 GLU A 46 14.841 5.319 3.845 1.00 0.00 O ATOM 726 OE2 GLU A 46 13.445 6.416 5.122 1.00 0.00 O ATOM 0 H GLU A 46 10.844 1.799 4.764 1.00 0.00 H new ATOM 0 HA GLU A 46 11.290 4.605 5.310 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.799 2.231 5.237 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.326 3.019 3.763 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.286 4.388 6.508 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.711 3.645 5.810 1.00 0.00 H new ATOM 733 N ARG A 47 10.550 3.761 2.326 1.00 0.00 N ATOM 734 CA ARG A 47 10.319 4.230 0.924 1.00 0.00 C ATOM 735 C ARG A 47 8.923 4.859 0.766 1.00 0.00 C ATOM 736 O ARG A 47 8.626 5.452 -0.253 1.00 0.00 O ATOM 737 CB ARG A 47 10.420 2.996 -0.006 1.00 0.00 C ATOM 738 CG ARG A 47 10.767 3.450 -1.428 1.00 0.00 C ATOM 739 CD ARG A 47 10.995 2.217 -2.304 1.00 0.00 C ATOM 740 NE ARG A 47 12.035 1.364 -1.668 1.00 0.00 N ATOM 741 CZ ARG A 47 12.298 0.189 -2.171 1.00 0.00 C ATOM 742 NH1 ARG A 47 11.641 -0.209 -3.225 1.00 0.00 N ATOM 743 NH2 ARG A 47 13.212 -0.547 -1.600 1.00 0.00 N ATOM 0 H ARG A 47 10.074 2.891 2.563 1.00 0.00 H new ATOM 0 HA ARG A 47 11.061 4.988 0.672 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.183 2.311 0.364 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.476 2.451 -0.008 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.960 4.058 -1.837 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.661 4.074 -1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.066 1.658 -2.418 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.312 2.517 -3.303 1.00 0.00 H new ATOM 0 HE ARG A 47 12.539 1.695 -0.845 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.934 0.395 -3.644 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.834 -1.125 -3.631 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.705 -0.201 -0.777 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.433 -1.469 -1.977 1.00 0.00 H new ATOM 757 N TRP A 48 8.097 4.701 1.789 1.00 0.00 N ATOM 758 CA TRP A 48 6.698 5.267 1.764 1.00 0.00 C ATOM 759 C TRP A 48 6.611 6.541 2.607 1.00 0.00 C ATOM 760 O TRP A 48 6.262 7.594 2.111 1.00 0.00 O ATOM 761 CB TRP A 48 5.783 4.167 2.353 1.00 0.00 C ATOM 762 CG TRP A 48 4.505 4.739 2.984 1.00 0.00 C ATOM 763 CD1 TRP A 48 4.373 4.964 4.272 1.00 0.00 C ATOM 764 CD2 TRP A 48 3.356 4.881 2.361 1.00 0.00 C ATOM 765 NE1 TRP A 48 3.067 5.230 4.422 1.00 0.00 N ATOM 766 CE2 TRP A 48 2.348 5.195 3.251 1.00 0.00 C ATOM 767 CE3 TRP A 48 3.065 4.742 1.025 1.00 0.00 C ATOM 768 CZ2 TRP A 48 1.053 5.353 2.816 1.00 0.00 C ATOM 769 CZ3 TRP A 48 1.757 4.909 0.582 1.00 0.00 C ATOM 770 CH2 TRP A 48 0.753 5.212 1.488 1.00 0.00 C ATOM 0 H TRP A 48 8.336 4.200 2.645 1.00 0.00 H new ATOM 0 HA TRP A 48 6.400 5.538 0.751 1.00 0.00 H new ATOM 0 HB2 TRP A 48 5.512 3.464 1.565 1.00 0.00 H new ATOM 0 HB3 TRP A 48 6.335 3.604 3.106 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.139 4.940 5.033 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.644 5.440 5.326 1.00 0.00 H new ATOM 0 HE3 TRP A 48 3.849 4.504 0.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 0.272 5.589 3.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.524 4.803 -0.467 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.264 5.337 1.147 1.00 0.00 H new ATOM 781 N LYS A 49 6.911 6.402 3.863 1.00 0.00 N ATOM 782 CA LYS A 49 6.861 7.591 4.791 1.00 0.00 C ATOM 783 C LYS A 49 7.601 8.793 4.201 1.00 0.00 C ATOM 784 O LYS A 49 7.430 9.911 4.640 1.00 0.00 O ATOM 785 CB LYS A 49 7.590 7.226 6.110 1.00 0.00 C ATOM 786 CG LYS A 49 6.867 6.080 6.830 1.00 0.00 C ATOM 787 CD LYS A 49 7.438 5.939 8.252 1.00 0.00 C ATOM 788 CE LYS A 49 6.538 5.010 9.072 1.00 0.00 C ATOM 789 NZ LYS A 49 5.235 5.671 9.367 1.00 0.00 N ATOM 0 H LYS A 49 7.190 5.523 4.300 1.00 0.00 H new ATOM 0 HA LYS A 49 5.813 7.843 4.950 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.618 6.936 5.895 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.635 8.100 6.760 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.796 6.279 6.873 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.996 5.149 6.279 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.451 5.539 8.211 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.501 6.917 8.729 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.366 4.084 8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.035 4.742 10.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.783 5.201 10.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.397 6.673 9.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.614 5.601 8.536 1.00 0.00 H new ATOM 803 N THR A 50 8.404 8.525 3.212 1.00 0.00 N ATOM 804 CA THR A 50 9.191 9.600 2.552 1.00 0.00 C ATOM 805 C THR A 50 8.423 10.321 1.441 1.00 0.00 C ATOM 806 O THR A 50 8.575 11.512 1.256 1.00 0.00 O ATOM 807 CB THR A 50 10.414 8.910 1.939 1.00 0.00 C ATOM 808 OG1 THR A 50 10.817 9.696 0.831 1.00 0.00 O ATOM 809 CG2 THR A 50 9.996 7.562 1.338 1.00 0.00 C ATOM 0 H THR A 50 8.550 7.592 2.827 1.00 0.00 H new ATOM 0 HA THR A 50 9.443 10.361 3.291 1.00 0.00 H new ATOM 0 HB THR A 50 11.186 8.786 2.699 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.602 9.288 0.409 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.867 7.072 0.902 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.577 6.929 2.120 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.246 7.726 0.564 1.00 0.00 H new ATOM 817 N MET A 51 7.632 9.592 0.724 1.00 0.00 N ATOM 818 CA MET A 51 6.861 10.221 -0.374 1.00 0.00 C ATOM 819 C MET A 51 6.009 11.381 0.119 1.00 0.00 C ATOM 820 O MET A 51 5.892 11.609 1.309 1.00 0.00 O ATOM 821 CB MET A 51 5.942 9.161 -0.992 1.00 0.00 C ATOM 822 CG MET A 51 6.786 7.983 -1.484 1.00 0.00 C ATOM 823 SD MET A 51 5.987 6.791 -2.591 1.00 0.00 S ATOM 824 CE MET A 51 4.458 6.578 -1.644 1.00 0.00 C ATOM 0 H MET A 51 7.484 8.590 0.847 1.00 0.00 H new ATOM 0 HA MET A 51 7.568 10.612 -1.106 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.215 8.819 -0.255 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.378 9.590 -1.820 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.660 8.385 -1.996 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.150 7.441 -0.611 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.896 5.734 -2.045 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.701 6.389 -0.598 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.855 7.483 -1.718 1.00 0.00 H new ATOM 834 N SER A 52 5.420 12.088 -0.828 1.00 0.00 N ATOM 835 CA SER A 52 4.556 13.252 -0.477 1.00 0.00 C ATOM 836 C SER A 52 3.125 12.787 -0.365 1.00 0.00 C ATOM 837 O SER A 52 2.779 11.748 -0.893 1.00 0.00 O ATOM 838 CB SER A 52 4.651 14.284 -1.616 1.00 0.00 C ATOM 839 OG SER A 52 3.627 15.226 -1.322 1.00 0.00 O ATOM 0 H SER A 52 5.506 11.902 -1.827 1.00 0.00 H new ATOM 0 HA SER A 52 4.878 13.691 0.467 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.632 14.758 -1.643 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.496 13.818 -2.589 1.00 0.00 H new ATOM 0 HG SER A 52 3.721 16.005 -1.909 1.00 0.00 H new ATOM 845 N ALA A 53 2.309 13.535 0.316 1.00 0.00 N ATOM 846 CA ALA A 53 0.913 13.104 0.436 1.00 0.00 C ATOM 847 C ALA A 53 0.298 12.954 -0.941 1.00 0.00 C ATOM 848 O ALA A 53 -0.750 12.361 -1.098 1.00 0.00 O ATOM 849 CB ALA A 53 0.136 14.138 1.229 1.00 0.00 C ATOM 0 H ALA A 53 2.550 14.409 0.783 1.00 0.00 H new ATOM 0 HA ALA A 53 0.875 12.143 0.949 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.903 13.821 1.320 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.573 14.239 2.222 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.178 15.098 0.715 1.00 0.00 H new ATOM 855 N LYS A 54 0.968 13.501 -1.922 1.00 0.00 N ATOM 856 CA LYS A 54 0.444 13.402 -3.298 1.00 0.00 C ATOM 857 C LYS A 54 0.422 11.950 -3.725 1.00 0.00 C ATOM 858 O LYS A 54 -0.618 11.404 -4.076 1.00 0.00 O ATOM 859 CB LYS A 54 1.387 14.163 -4.239 1.00 0.00 C ATOM 860 CG LYS A 54 1.364 15.647 -3.894 1.00 0.00 C ATOM 861 CD LYS A 54 2.264 16.398 -4.876 1.00 0.00 C ATOM 862 CE LYS A 54 2.527 17.803 -4.344 1.00 0.00 C ATOM 863 NZ LYS A 54 1.247 18.548 -4.179 1.00 0.00 N ATOM 0 H LYS A 54 1.848 14.007 -1.822 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.562 13.819 -3.337 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.401 13.774 -4.147 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.081 14.015 -5.275 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.345 16.031 -3.947 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.710 15.802 -2.872 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.205 15.864 -5.006 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.789 16.450 -5.856 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.046 17.744 -3.387 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.182 18.341 -5.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.449 19.557 -4.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.666 18.433 -5.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.731 18.174 -3.357 1.00 0.00 H new ATOM 877 N GLU A 55 1.573 11.336 -3.677 1.00 0.00 N ATOM 878 CA GLU A 55 1.640 9.926 -4.072 1.00 0.00 C ATOM 879 C GLU A 55 0.914 9.073 -3.052 1.00 0.00 C ATOM 880 O GLU A 55 0.122 8.222 -3.400 1.00 0.00 O ATOM 881 CB GLU A 55 3.113 9.504 -4.125 1.00 0.00 C ATOM 882 CG GLU A 55 3.900 10.514 -4.971 1.00 0.00 C ATOM 883 CD GLU A 55 5.254 9.909 -5.352 1.00 0.00 C ATOM 884 OE1 GLU A 55 6.138 9.994 -4.518 1.00 0.00 O ATOM 885 OE2 GLU A 55 5.325 9.395 -6.458 1.00 0.00 O ATOM 0 H GLU A 55 2.455 11.756 -3.383 1.00 0.00 H new ATOM 0 HA GLU A 55 1.172 9.793 -5.047 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.526 9.456 -3.117 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.202 8.506 -4.554 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.338 10.770 -5.869 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.046 11.438 -4.412 1.00 0.00 H new ATOM 892 N LYS A 56 1.161 9.330 -1.800 1.00 0.00 N ATOM 893 CA LYS A 56 0.480 8.526 -0.782 1.00 0.00 C ATOM 894 C LYS A 56 -1.003 8.842 -0.828 1.00 0.00 C ATOM 895 O LYS A 56 -1.791 8.285 -0.095 1.00 0.00 O ATOM 896 CB LYS A 56 1.030 8.893 0.606 1.00 0.00 C ATOM 897 CG LYS A 56 2.575 8.805 0.587 1.00 0.00 C ATOM 898 CD LYS A 56 3.170 9.470 1.859 1.00 0.00 C ATOM 899 CE LYS A 56 3.254 8.449 2.997 1.00 0.00 C ATOM 900 NZ LYS A 56 1.890 8.035 3.440 1.00 0.00 N ATOM 0 H LYS A 56 1.794 10.050 -1.453 1.00 0.00 H new ATOM 0 HA LYS A 56 0.645 7.465 -0.971 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.716 9.900 0.879 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.626 8.217 1.360 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.886 7.762 0.535 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.963 9.298 -0.304 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.162 9.866 1.641 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.549 10.313 2.162 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.815 7.575 2.666 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.799 8.879 3.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.902 7.836 4.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.214 8.801 3.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.602 7.179 2.924 1.00 0.00 H new ATOM 914 N GLY A 57 -1.347 9.749 -1.716 1.00 0.00 N ATOM 915 CA GLY A 57 -2.773 10.153 -1.866 1.00 0.00 C ATOM 916 C GLY A 57 -3.560 9.133 -2.694 1.00 0.00 C ATOM 917 O GLY A 57 -4.552 8.605 -2.235 1.00 0.00 O ATOM 0 H GLY A 57 -0.696 10.224 -2.341 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.229 10.254 -0.881 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.827 11.131 -2.344 1.00 0.00 H new ATOM 921 N LYS A 58 -3.129 8.871 -3.906 1.00 0.00 N ATOM 922 CA LYS A 58 -3.897 7.879 -4.705 1.00 0.00 C ATOM 923 C LYS A 58 -3.793 6.510 -4.055 1.00 0.00 C ATOM 924 O LYS A 58 -4.520 5.602 -4.406 1.00 0.00 O ATOM 925 CB LYS A 58 -3.374 7.826 -6.167 1.00 0.00 C ATOM 926 CG LYS A 58 -1.835 7.653 -6.203 1.00 0.00 C ATOM 927 CD LYS A 58 -1.462 6.172 -6.312 1.00 0.00 C ATOM 928 CE LYS A 58 0.053 6.063 -6.427 1.00 0.00 C ATOM 929 NZ LYS A 58 0.451 4.673 -6.793 1.00 0.00 N ATOM 0 H LYS A 58 -2.313 9.284 -4.357 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.943 8.184 -4.732 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.848 7.000 -6.696 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.652 8.741 -6.690 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.422 8.201 -7.050 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.394 8.079 -5.302 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.816 5.627 -5.437 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.941 5.724 -7.182 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.418 6.762 -7.180 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.516 6.343 -5.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.918 4.221 -5.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.395 4.127 -7.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.108 4.701 -7.599 1.00 0.00 H new ATOM 943 N PHE A 59 -2.880 6.391 -3.103 1.00 0.00 N ATOM 944 CA PHE A 59 -2.706 5.084 -2.400 1.00 0.00 C ATOM 945 C PHE A 59 -3.710 5.053 -1.275 1.00 0.00 C ATOM 946 O PHE A 59 -4.162 4.008 -0.848 1.00 0.00 O ATOM 947 CB PHE A 59 -1.275 5.000 -1.796 1.00 0.00 C ATOM 948 CG PHE A 59 -0.293 4.374 -2.806 1.00 0.00 C ATOM 949 CD1 PHE A 59 -0.522 3.113 -3.334 1.00 0.00 C ATOM 950 CD2 PHE A 59 0.847 5.058 -3.193 1.00 0.00 C ATOM 951 CE1 PHE A 59 0.367 2.558 -4.229 1.00 0.00 C ATOM 952 CE2 PHE A 59 1.732 4.501 -4.086 1.00 0.00 C ATOM 953 CZ PHE A 59 1.493 3.253 -4.604 1.00 0.00 C ATOM 0 H PHE A 59 -2.260 7.139 -2.793 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.849 4.252 -3.090 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.933 5.997 -1.519 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.295 4.404 -0.883 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.403 2.561 -3.042 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.043 6.040 -2.789 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.179 1.576 -4.637 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.616 5.047 -4.380 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.189 2.817 -5.306 1.00 0.00 H new ATOM 963 N GLU A 60 -4.037 6.233 -0.815 1.00 0.00 N ATOM 964 CA GLU A 60 -5.007 6.357 0.279 1.00 0.00 C ATOM 965 C GLU A 60 -6.382 6.118 -0.298 1.00 0.00 C ATOM 966 O GLU A 60 -7.308 5.747 0.395 1.00 0.00 O ATOM 967 CB GLU A 60 -4.908 7.816 0.856 1.00 0.00 C ATOM 968 CG GLU A 60 -4.303 7.798 2.273 1.00 0.00 C ATOM 969 CD GLU A 60 -5.190 6.966 3.210 1.00 0.00 C ATOM 970 OE1 GLU A 60 -6.334 6.765 2.840 1.00 0.00 O ATOM 971 OE2 GLU A 60 -4.670 6.582 4.245 1.00 0.00 O ATOM 0 H GLU A 60 -3.662 7.116 -1.163 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.812 5.639 1.076 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.293 8.432 0.200 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.898 8.270 0.883 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.297 7.379 2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.213 8.816 2.652 1.00 0.00 H new ATOM 978 N ASP A 61 -6.476 6.337 -1.581 1.00 0.00 N ATOM 979 CA ASP A 61 -7.765 6.139 -2.267 1.00 0.00 C ATOM 980 C ASP A 61 -7.988 4.662 -2.529 1.00 0.00 C ATOM 981 O ASP A 61 -9.102 4.179 -2.480 1.00 0.00 O ATOM 982 CB ASP A 61 -7.709 6.891 -3.606 1.00 0.00 C ATOM 983 CG ASP A 61 -9.127 7.076 -4.147 1.00 0.00 C ATOM 984 OD1 ASP A 61 -9.560 6.179 -4.850 1.00 0.00 O ATOM 985 OD2 ASP A 61 -9.699 8.105 -3.826 1.00 0.00 O ATOM 0 H ASP A 61 -5.708 6.645 -2.178 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.581 6.513 -1.649 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.231 7.861 -3.471 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.105 6.335 -4.323 1.00 0.00 H new ATOM 990 N MET A 62 -6.921 3.963 -2.817 1.00 0.00 N ATOM 991 CA MET A 62 -7.062 2.526 -3.080 1.00 0.00 C ATOM 992 C MET A 62 -7.405 1.811 -1.791 1.00 0.00 C ATOM 993 O MET A 62 -8.283 0.983 -1.764 1.00 0.00 O ATOM 994 CB MET A 62 -5.729 1.980 -3.649 1.00 0.00 C ATOM 995 CG MET A 62 -5.615 2.338 -5.151 1.00 0.00 C ATOM 996 SD MET A 62 -4.384 1.442 -6.127 1.00 0.00 S ATOM 997 CE MET A 62 -2.953 1.859 -5.110 1.00 0.00 C ATOM 0 H MET A 62 -5.972 4.333 -2.878 1.00 0.00 H new ATOM 0 HA MET A 62 -7.859 2.358 -3.804 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.888 2.403 -3.100 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.683 0.899 -3.519 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.591 2.179 -5.611 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.396 3.403 -5.228 1.00 0.00 H new ATOM 0 HE1 MET A 62 -2.043 1.524 -5.607 1.00 0.00 H new ATOM 0 HE2 MET A 62 -2.911 2.939 -4.966 1.00 0.00 H new ATOM 0 HE3 MET A 62 -3.039 1.367 -4.141 1.00 0.00 H new ATOM 1007 N ALA A 63 -6.703 2.131 -0.741 1.00 0.00 N ATOM 1008 CA ALA A 63 -7.007 1.464 0.538 1.00 0.00 C ATOM 1009 C ALA A 63 -8.452 1.788 0.931 1.00 0.00 C ATOM 1010 O ALA A 63 -9.104 1.019 1.613 1.00 0.00 O ATOM 1011 CB ALA A 63 -6.031 1.991 1.621 1.00 0.00 C ATOM 0 H ALA A 63 -5.946 2.814 -0.719 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.892 0.384 0.444 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.246 1.505 2.572 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.005 1.771 1.325 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.154 3.069 1.728 1.00 0.00 H new ATOM 1017 N LYS A 64 -8.922 2.933 0.482 1.00 0.00 N ATOM 1018 CA LYS A 64 -10.312 3.329 0.810 1.00 0.00 C ATOM 1019 C LYS A 64 -11.282 2.549 -0.070 1.00 0.00 C ATOM 1020 O LYS A 64 -12.360 2.179 0.355 1.00 0.00 O ATOM 1021 CB LYS A 64 -10.480 4.850 0.531 1.00 0.00 C ATOM 1022 CG LYS A 64 -10.093 5.651 1.782 1.00 0.00 C ATOM 1023 CD LYS A 64 -10.105 7.145 1.439 1.00 0.00 C ATOM 1024 CE LYS A 64 -9.893 7.958 2.719 1.00 0.00 C ATOM 1025 NZ LYS A 64 -10.917 7.602 3.741 1.00 0.00 N ATOM 0 H LYS A 64 -8.401 3.597 -0.091 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.520 3.116 1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.854 5.147 -0.311 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.511 5.067 0.253 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.792 5.445 2.593 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.104 5.352 2.130 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.321 7.371 0.717 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.053 7.416 0.975 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.895 7.770 3.115 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.951 9.023 2.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.243 8.465 4.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.724 7.138 3.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.500 6.954 4.439 1.00 0.00 H new ATOM 1039 N ALA A 65 -10.875 2.304 -1.284 1.00 0.00 N ATOM 1040 CA ALA A 65 -11.745 1.560 -2.189 1.00 0.00 C ATOM 1041 C ALA A 65 -11.874 0.147 -1.712 1.00 0.00 C ATOM 1042 O ALA A 65 -12.945 -0.421 -1.705 1.00 0.00 O ATOM 1043 CB ALA A 65 -11.120 1.565 -3.593 1.00 0.00 C ATOM 0 H ALA A 65 -9.977 2.592 -1.673 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.731 2.024 -2.216 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.762 1.012 -4.279 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.017 2.593 -3.942 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.138 1.094 -3.556 1.00 0.00 H new ATOM 1049 N ASP A 66 -10.777 -0.397 -1.305 1.00 0.00 N ATOM 1050 CA ASP A 66 -10.795 -1.778 -0.817 1.00 0.00 C ATOM 1051 C ASP A 66 -11.705 -1.868 0.393 1.00 0.00 C ATOM 1052 O ASP A 66 -12.348 -2.875 0.621 1.00 0.00 O ATOM 1053 CB ASP A 66 -9.358 -2.177 -0.416 1.00 0.00 C ATOM 1054 CG ASP A 66 -9.239 -3.702 -0.417 1.00 0.00 C ATOM 1055 OD1 ASP A 66 -10.073 -4.308 0.233 1.00 0.00 O ATOM 1056 OD2 ASP A 66 -8.319 -4.174 -1.066 1.00 0.00 O ATOM 0 H ASP A 66 -9.866 0.061 -1.291 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.163 -2.448 -1.594 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.640 -1.744 -1.113 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.121 -1.783 0.572 1.00 0.00 H new ATOM 1061 N LYS A 67 -11.732 -0.805 1.159 1.00 0.00 N ATOM 1062 CA LYS A 67 -12.589 -0.795 2.359 1.00 0.00 C ATOM 1063 C LYS A 67 -14.020 -1.135 1.972 1.00 0.00 C ATOM 1064 O LYS A 67 -14.691 -1.884 2.652 1.00 0.00 O ATOM 1065 CB LYS A 67 -12.550 0.628 2.979 1.00 0.00 C ATOM 1066 CG LYS A 67 -12.869 0.538 4.480 1.00 0.00 C ATOM 1067 CD LYS A 67 -13.257 1.929 5.002 1.00 0.00 C ATOM 1068 CE LYS A 67 -12.122 2.915 4.709 1.00 0.00 C ATOM 1069 NZ LYS A 67 -10.803 2.312 5.055 1.00 0.00 N ATOM 0 H LYS A 67 -11.196 0.047 0.997 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.230 -1.532 3.077 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.567 1.075 2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.272 1.274 2.480 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.684 -0.166 4.649 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.004 0.161 5.025 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.178 2.265 4.525 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.450 1.887 6.074 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.136 3.192 3.655 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.271 3.831 5.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.138 3.064 5.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.921 1.651 5.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.428 1.800 4.231 1.00 0.00 H new ATOM 1083 N ALA A 68 -14.465 -0.571 0.872 1.00 0.00 N ATOM 1084 CA ALA A 68 -15.844 -0.850 0.426 1.00 0.00 C ATOM 1085 C ALA A 68 -15.959 -2.247 -0.170 1.00 0.00 C ATOM 1086 O ALA A 68 -16.999 -2.869 -0.099 1.00 0.00 O ATOM 1087 CB ALA A 68 -16.227 0.182 -0.647 1.00 0.00 C ATOM 0 H ALA A 68 -13.930 0.062 0.278 1.00 0.00 H new ATOM 0 HA ALA A 68 -16.510 -0.788 1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -17.244 -0.009 -0.989 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -16.168 1.185 -0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.540 0.103 -1.490 1.00 0.00 H new ATOM 1093 N ARG A 69 -14.894 -2.718 -0.742 1.00 0.00 N ATOM 1094 CA ARG A 69 -14.936 -4.078 -1.344 1.00 0.00 C ATOM 1095 C ARG A 69 -15.014 -5.136 -0.257 1.00 0.00 C ATOM 1096 O ARG A 69 -15.546 -6.204 -0.466 1.00 0.00 O ATOM 1097 CB ARG A 69 -13.645 -4.314 -2.146 1.00 0.00 C ATOM 1098 CG ARG A 69 -13.617 -3.388 -3.373 1.00 0.00 C ATOM 1099 CD ARG A 69 -14.762 -3.757 -4.346 1.00 0.00 C ATOM 1100 NE ARG A 69 -15.909 -2.843 -4.096 1.00 0.00 N ATOM 1101 CZ ARG A 69 -16.858 -2.741 -4.988 1.00 0.00 C ATOM 1102 NH1 ARG A 69 -16.775 -3.450 -6.082 1.00 0.00 N ATOM 1103 NH2 ARG A 69 -17.856 -1.933 -4.758 1.00 0.00 N ATOM 0 H ARG A 69 -14.003 -2.229 -0.820 1.00 0.00 H new ATOM 0 HA ARG A 69 -15.813 -4.147 -1.987 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.775 -4.125 -1.517 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.589 -5.355 -2.463 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.719 -2.350 -3.057 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -12.656 -3.474 -3.881 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -14.425 -3.667 -5.379 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -15.065 -4.794 -4.198 1.00 0.00 H new ATOM 0 HE ARG A 69 -15.954 -2.300 -3.234 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -15.979 -4.070 -6.229 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -17.507 -3.383 -6.790 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -17.886 -1.394 -3.893 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -18.606 -1.841 -5.443 1.00 0.00 H new ATOM 1117 N TYR A 70 -14.477 -4.815 0.888 1.00 0.00 N ATOM 1118 CA TYR A 70 -14.508 -5.789 2.001 1.00 0.00 C ATOM 1119 C TYR A 70 -15.899 -5.886 2.623 1.00 0.00 C ATOM 1120 O TYR A 70 -16.385 -6.968 2.887 1.00 0.00 O ATOM 1121 CB TYR A 70 -13.521 -5.326 3.080 1.00 0.00 C ATOM 1122 CG TYR A 70 -13.541 -6.329 4.239 1.00 0.00 C ATOM 1123 CD1 TYR A 70 -14.481 -6.217 5.242 1.00 0.00 C ATOM 1124 CD2 TYR A 70 -12.624 -7.363 4.294 1.00 0.00 C ATOM 1125 CE1 TYR A 70 -14.507 -7.121 6.285 1.00 0.00 C ATOM 1126 CE2 TYR A 70 -12.650 -8.267 5.338 1.00 0.00 C ATOM 1127 CZ TYR A 70 -13.592 -8.152 6.341 1.00 0.00 C ATOM 1128 OH TYR A 70 -13.617 -9.054 7.384 1.00 0.00 O ATOM 0 H TYR A 70 -14.022 -3.926 1.095 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.238 -6.770 1.609 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.516 -5.252 2.664 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -13.793 -4.333 3.437 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -15.203 -5.415 5.211 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.883 -7.464 3.515 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -15.249 -7.020 7.063 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -11.928 -9.070 5.370 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.903 -9.714 7.263 1.00 0.00 H new