USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 490 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 16 TYR OH : rot -92:sc= 0.102 USER MOD Set 1.2: A 45 CYS SG : rot -22:sc= -1.79 USER MOD Set 2.1: A 27 HIS : no HD1:sc= -2.84 X(o=-11,f=-11) USER MOD Set 2.2: A 31 HIS : no HE2:sc= -7.74! C(o=-11!,f=-11!) USER MOD Set 2.3: A 34 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 14 SER OG : rot 180:sc= -0.491 USER MOD Set 3.2: A 15 SER OG : rot -160:sc= -0.154 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.342 K(o=-0.34,f=-1.6) USER MOD Single : A 22 THR OG1 : rot 82:sc= 0.738 USER MOD Single : A 23 SER OG : rot 96:sc= 1.26 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -1.68 X(o=-1.7,f=-1.5) USER MOD Single : A 42 SER OG : rot 170:sc= -1.36 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.57 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 8:sc= -0.815 USER MOD Single : A 52 MET CE :methyl -167:sc= -0.0555 (180deg=-0.21) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.056) USER MOD Single : A 57 LYS NZ :NH3+ 136:sc= 0.357 (180deg=-0.153) USER MOD Single : A 58 SER OG : rot -104:sc= 0.97 USER MOD Single : A 59 LYS NZ :NH3+ -106:sc= 0 (180deg=-0.177) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.0612) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 163 N LYS A 12 -13.753 10.994 -2.716 1.00 0.00 N ATOM 164 CA LYS A 12 -13.032 9.877 -3.399 1.00 0.00 C ATOM 165 C LYS A 12 -13.985 8.705 -3.641 1.00 0.00 C ATOM 166 O LYS A 12 -15.190 8.845 -3.549 1.00 0.00 O ATOM 167 CB LYS A 12 -11.918 9.472 -2.432 1.00 0.00 C ATOM 168 CG LYS A 12 -10.971 10.656 -2.215 1.00 0.00 C ATOM 169 CD LYS A 12 -9.999 10.330 -1.079 1.00 0.00 C ATOM 170 CE LYS A 12 -9.687 11.604 -0.292 1.00 0.00 C ATOM 171 NZ LYS A 12 -10.774 11.706 0.722 1.00 0.00 N ATOM 0 HA LYS A 12 -12.638 10.173 -4.371 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.346 9.156 -1.480 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.367 8.621 -2.832 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.419 10.867 -3.131 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.542 11.553 -1.973 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.433 9.579 -0.419 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.080 9.905 -1.483 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.708 11.545 0.183 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.672 12.477 -0.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.629 12.557 1.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.694 11.768 0.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.759 10.864 1.333 1.00 0.00 H new ATOM 185 N MET A 13 -13.452 7.550 -3.951 1.00 0.00 N ATOM 186 CA MET A 13 -14.319 6.361 -4.201 1.00 0.00 C ATOM 187 C MET A 13 -13.693 5.110 -3.579 1.00 0.00 C ATOM 188 O MET A 13 -12.635 4.668 -3.986 1.00 0.00 O ATOM 189 CB MET A 13 -14.381 6.230 -5.723 1.00 0.00 C ATOM 190 CG MET A 13 -15.244 7.354 -6.298 1.00 0.00 C ATOM 191 SD MET A 13 -15.614 7.004 -8.035 1.00 0.00 S ATOM 192 CE MET A 13 -16.625 8.472 -8.352 1.00 0.00 C ATOM 0 H MET A 13 -12.450 7.380 -4.042 1.00 0.00 H new ATOM 0 HA MET A 13 -15.310 6.472 -3.761 1.00 0.00 H new ATOM 0 HB2 MET A 13 -13.377 6.277 -6.144 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.797 5.261 -5.998 1.00 0.00 H new ATOM 0 HG2 MET A 13 -16.169 7.444 -5.729 1.00 0.00 H new ATOM 0 HG3 MET A 13 -14.723 8.307 -6.211 1.00 0.00 H new ATOM 0 HE1 MET A 13 -16.967 8.461 -9.387 1.00 0.00 H new ATOM 0 HE2 MET A 13 -17.487 8.471 -7.685 1.00 0.00 H new ATOM 0 HE3 MET A 13 -16.030 9.368 -8.176 1.00 0.00 H new ATOM 202 N SER A 14 -14.342 4.538 -2.597 1.00 0.00 N ATOM 203 CA SER A 14 -13.793 3.314 -1.940 1.00 0.00 C ATOM 204 C SER A 14 -14.194 2.065 -2.731 1.00 0.00 C ATOM 205 O SER A 14 -14.905 2.146 -3.714 1.00 0.00 O ATOM 206 CB SER A 14 -14.424 3.294 -0.549 1.00 0.00 C ATOM 207 OG SER A 14 -14.258 2.003 0.023 1.00 0.00 O ATOM 0 H SER A 14 -15.231 4.867 -2.221 1.00 0.00 H new ATOM 0 HA SER A 14 -12.704 3.323 -1.892 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.958 4.048 0.085 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.483 3.542 -0.614 1.00 0.00 H new ATOM 0 HG SER A 14 -14.660 1.987 0.917 1.00 0.00 H new ATOM 213 N SER A 15 -13.742 0.914 -2.305 1.00 0.00 N ATOM 214 CA SER A 15 -14.093 -0.349 -3.026 1.00 0.00 C ATOM 215 C SER A 15 -15.578 -0.668 -2.840 1.00 0.00 C ATOM 216 O SER A 15 -16.200 -1.283 -3.686 1.00 0.00 O ATOM 217 CB SER A 15 -13.228 -1.434 -2.384 1.00 0.00 C ATOM 218 OG SER A 15 -13.465 -1.456 -0.983 1.00 0.00 O ATOM 0 H SER A 15 -13.144 0.793 -1.488 1.00 0.00 H new ATOM 0 HA SER A 15 -13.915 -0.272 -4.099 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.461 -2.406 -2.819 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.174 -1.240 -2.583 1.00 0.00 H new ATOM 0 HG SER A 15 -12.717 -1.900 -0.532 1.00 0.00 H new ATOM 224 N TYR A 16 -16.150 -0.254 -1.737 1.00 0.00 N ATOM 225 CA TYR A 16 -17.598 -0.530 -1.488 1.00 0.00 C ATOM 226 C TYR A 16 -18.461 0.232 -2.497 1.00 0.00 C ATOM 227 O TYR A 16 -19.546 -0.196 -2.845 1.00 0.00 O ATOM 228 CB TYR A 16 -17.866 -0.029 -0.067 1.00 0.00 C ATOM 229 CG TYR A 16 -19.159 -0.621 0.441 1.00 0.00 C ATOM 230 CD1 TYR A 16 -19.170 -1.906 0.998 1.00 0.00 C ATOM 231 CD2 TYR A 16 -20.347 0.115 0.358 1.00 0.00 C ATOM 232 CE1 TYR A 16 -20.368 -2.455 1.468 1.00 0.00 C ATOM 233 CE2 TYR A 16 -21.546 -0.434 0.830 1.00 0.00 C ATOM 234 CZ TYR A 16 -21.556 -1.719 1.385 1.00 0.00 C ATOM 235 OH TYR A 16 -22.737 -2.260 1.850 1.00 0.00 O ATOM 0 H TYR A 16 -15.676 0.264 -0.997 1.00 0.00 H new ATOM 0 HA TYR A 16 -17.839 -1.588 -1.596 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -17.043 -0.309 0.590 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -17.924 1.059 -0.059 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -18.253 -2.473 1.065 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -20.339 1.106 -0.070 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -20.376 -3.447 1.895 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -22.462 0.134 0.766 1.00 0.00 H new ATOM 0 HH TYR A 16 -23.201 -2.714 1.115 1.00 0.00 H new ATOM 245 N ALA A 17 -17.985 1.357 -2.967 1.00 0.00 N ATOM 246 CA ALA A 17 -18.771 2.155 -3.957 1.00 0.00 C ATOM 247 C ALA A 17 -18.609 1.562 -5.359 1.00 0.00 C ATOM 248 O ALA A 17 -19.497 1.655 -6.187 1.00 0.00 O ATOM 249 CB ALA A 17 -18.176 3.563 -3.897 1.00 0.00 C ATOM 0 H ALA A 17 -17.084 1.758 -2.707 1.00 0.00 H new ATOM 0 HA ALA A 17 -19.838 2.156 -3.733 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.702 4.211 -4.598 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.282 3.960 -2.887 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.120 3.523 -4.162 1.00 0.00 H new ATOM 255 N PHE A 18 -17.482 0.953 -5.627 1.00 0.00 N ATOM 256 CA PHE A 18 -17.254 0.348 -6.975 1.00 0.00 C ATOM 257 C PHE A 18 -17.961 -1.007 -7.070 1.00 0.00 C ATOM 258 O PHE A 18 -18.366 -1.430 -8.136 1.00 0.00 O ATOM 259 CB PHE A 18 -15.738 0.171 -7.081 1.00 0.00 C ATOM 260 CG PHE A 18 -15.114 1.455 -7.571 1.00 0.00 C ATOM 261 CD1 PHE A 18 -15.405 1.929 -8.855 1.00 0.00 C ATOM 262 CD2 PHE A 18 -14.245 2.172 -6.741 1.00 0.00 C ATOM 263 CE1 PHE A 18 -14.827 3.120 -9.310 1.00 0.00 C ATOM 264 CE2 PHE A 18 -13.666 3.364 -7.195 1.00 0.00 C ATOM 265 CZ PHE A 18 -13.957 3.838 -8.479 1.00 0.00 C ATOM 0 H PHE A 18 -16.709 0.848 -4.970 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.647 0.970 -7.779 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.324 -0.099 -6.110 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.503 -0.644 -7.766 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.076 1.376 -9.495 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -14.021 1.806 -5.750 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.052 3.485 -10.301 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -12.995 3.917 -6.554 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.511 4.757 -8.829 1.00 0.00 H new ATOM 275 N PHE A 19 -18.112 -1.686 -5.961 1.00 0.00 N ATOM 276 CA PHE A 19 -18.794 -3.017 -5.978 1.00 0.00 C ATOM 277 C PHE A 19 -20.250 -2.856 -6.428 1.00 0.00 C ATOM 278 O PHE A 19 -20.704 -3.526 -7.335 1.00 0.00 O ATOM 279 CB PHE A 19 -18.730 -3.522 -4.535 1.00 0.00 C ATOM 280 CG PHE A 19 -19.015 -5.004 -4.508 1.00 0.00 C ATOM 281 CD1 PHE A 19 -18.167 -5.893 -5.179 1.00 0.00 C ATOM 282 CD2 PHE A 19 -20.126 -5.489 -3.810 1.00 0.00 C ATOM 283 CE1 PHE A 19 -18.432 -7.268 -5.152 1.00 0.00 C ATOM 284 CE2 PHE A 19 -20.392 -6.863 -3.782 1.00 0.00 C ATOM 285 CZ PHE A 19 -19.545 -7.752 -4.453 1.00 0.00 C ATOM 0 H PHE A 19 -17.792 -1.376 -5.043 1.00 0.00 H new ATOM 0 HA PHE A 19 -18.320 -3.713 -6.670 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -17.746 -3.322 -4.112 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.455 -2.990 -3.920 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -17.309 -5.519 -5.717 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -20.779 -4.803 -3.292 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -17.779 -7.955 -5.670 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -21.250 -7.237 -3.243 1.00 0.00 H new ATOM 0 HZ PHE A 19 -19.750 -8.812 -4.432 1.00 0.00 H new ATOM 295 N VAL A 20 -20.979 -1.969 -5.799 1.00 0.00 N ATOM 296 CA VAL A 20 -22.408 -1.755 -6.189 1.00 0.00 C ATOM 297 C VAL A 20 -22.483 -1.243 -7.632 1.00 0.00 C ATOM 298 O VAL A 20 -23.443 -1.490 -8.336 1.00 0.00 O ATOM 299 CB VAL A 20 -22.943 -0.704 -5.207 1.00 0.00 C ATOM 300 CG1 VAL A 20 -24.403 -0.377 -5.533 1.00 0.00 C ATOM 301 CG2 VAL A 20 -22.854 -1.251 -3.781 1.00 0.00 C ATOM 0 H VAL A 20 -20.648 -1.383 -5.032 1.00 0.00 H new ATOM 0 HA VAL A 20 -22.993 -2.674 -6.146 1.00 0.00 H new ATOM 0 HB VAL A 20 -22.345 0.203 -5.294 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -24.774 0.370 -4.831 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -24.470 0.014 -6.548 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -25.005 -1.282 -5.452 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -23.233 -0.506 -3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -23.450 -2.160 -3.702 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -21.815 -1.477 -3.542 1.00 0.00 H new ATOM 311 N GLN A 21 -21.473 -0.536 -8.072 1.00 0.00 N ATOM 312 CA GLN A 21 -21.478 -0.007 -9.471 1.00 0.00 C ATOM 313 C GLN A 21 -21.322 -1.158 -10.468 1.00 0.00 C ATOM 314 O GLN A 21 -21.878 -1.131 -11.550 1.00 0.00 O ATOM 315 CB GLN A 21 -20.275 0.937 -9.551 1.00 0.00 C ATOM 316 CG GLN A 21 -20.494 1.950 -10.677 1.00 0.00 C ATOM 317 CD GLN A 21 -20.304 1.260 -12.028 1.00 0.00 C ATOM 318 OE1 GLN A 21 -19.321 0.579 -12.243 1.00 0.00 O ATOM 319 NE2 GLN A 21 -21.211 1.406 -12.956 1.00 0.00 N ATOM 0 H GLN A 21 -20.645 -0.302 -7.524 1.00 0.00 H new ATOM 0 HA GLN A 21 -22.410 0.504 -9.713 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -20.143 1.456 -8.602 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -19.364 0.367 -9.732 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -21.497 2.373 -10.610 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -19.792 2.778 -10.578 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -22.037 1.977 -12.777 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -21.094 0.949 -13.860 1.00 0.00 H new ATOM 328 N THR A 22 -20.572 -2.167 -10.107 1.00 0.00 N ATOM 329 CA THR A 22 -20.376 -3.329 -11.026 1.00 0.00 C ATOM 330 C THR A 22 -21.529 -4.324 -10.869 1.00 0.00 C ATOM 331 O THR A 22 -21.889 -5.019 -11.801 1.00 0.00 O ATOM 332 CB THR A 22 -19.055 -3.963 -10.585 1.00 0.00 C ATOM 333 OG1 THR A 22 -18.051 -2.961 -10.516 1.00 0.00 O ATOM 334 CG2 THR A 22 -18.640 -5.036 -11.594 1.00 0.00 C ATOM 0 H THR A 22 -20.085 -2.237 -9.213 1.00 0.00 H new ATOM 0 HA THR A 22 -20.354 -3.030 -12.074 1.00 0.00 H new ATOM 0 HB THR A 22 -19.180 -4.420 -9.603 1.00 0.00 H new ATOM 0 HG1 THR A 22 -18.128 -2.479 -9.666 1.00 0.00 H new ATOM 0 HG21 THR A 22 -17.699 -5.487 -11.279 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.411 -5.804 -11.646 1.00 0.00 H new ATOM 0 HG23 THR A 22 -18.514 -4.582 -12.577 1.00 0.00 H new ATOM 342 N SER A 23 -22.107 -4.392 -9.697 1.00 0.00 N ATOM 343 CA SER A 23 -23.240 -5.339 -9.471 1.00 0.00 C ATOM 344 C SER A 23 -24.538 -4.751 -10.031 1.00 0.00 C ATOM 345 O SER A 23 -25.425 -5.470 -10.449 1.00 0.00 O ATOM 346 CB SER A 23 -23.333 -5.494 -7.953 1.00 0.00 C ATOM 347 OG SER A 23 -22.035 -5.731 -7.425 1.00 0.00 O ATOM 0 H SER A 23 -21.843 -3.832 -8.886 1.00 0.00 H new ATOM 0 HA SER A 23 -23.083 -6.296 -9.968 1.00 0.00 H new ATOM 0 HB2 SER A 23 -23.760 -4.594 -7.509 1.00 0.00 H new ATOM 0 HB3 SER A 23 -23.997 -6.320 -7.700 1.00 0.00 H new ATOM 0 HG SER A 23 -21.649 -4.886 -7.113 1.00 0.00 H new ATOM 353 N ARG A 24 -24.649 -3.446 -10.043 1.00 0.00 N ATOM 354 CA ARG A 24 -25.887 -2.799 -10.579 1.00 0.00 C ATOM 355 C ARG A 24 -25.953 -2.974 -12.098 1.00 0.00 C ATOM 356 O ARG A 24 -27.017 -3.139 -12.665 1.00 0.00 O ATOM 357 CB ARG A 24 -25.760 -1.319 -10.214 1.00 0.00 C ATOM 358 CG ARG A 24 -27.087 -0.610 -10.488 1.00 0.00 C ATOM 359 CD ARG A 24 -27.123 -0.135 -11.942 1.00 0.00 C ATOM 360 NE ARG A 24 -28.053 1.027 -11.944 1.00 0.00 N ATOM 361 CZ ARG A 24 -27.710 2.137 -12.539 1.00 0.00 C ATOM 362 NH1 ARG A 24 -27.050 3.051 -11.884 1.00 0.00 N ATOM 363 NH2 ARG A 24 -28.028 2.332 -13.790 1.00 0.00 N ATOM 0 H ARG A 24 -23.936 -2.800 -9.705 1.00 0.00 H new ATOM 0 HA ARG A 24 -26.794 -3.239 -10.165 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -25.490 -1.215 -9.163 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -24.962 -0.857 -10.796 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -27.919 -1.287 -10.295 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -27.204 0.239 -9.814 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -26.130 0.153 -12.288 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -27.475 -0.924 -12.606 1.00 0.00 H new ATOM 0 HE ARG A 24 -28.959 0.956 -11.480 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -26.802 2.899 -10.907 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -26.782 3.918 -12.349 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -28.544 1.617 -14.302 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -27.760 3.199 -14.255 1.00 0.00 H new ATOM 377 N GLU A 25 -24.823 -2.940 -12.756 1.00 0.00 N ATOM 378 CA GLU A 25 -24.809 -3.105 -14.242 1.00 0.00 C ATOM 379 C GLU A 25 -25.235 -4.526 -14.615 1.00 0.00 C ATOM 380 O GLU A 25 -25.867 -4.748 -15.632 1.00 0.00 O ATOM 381 CB GLU A 25 -23.361 -2.850 -14.665 1.00 0.00 C ATOM 382 CG GLU A 25 -23.116 -1.344 -14.769 1.00 0.00 C ATOM 383 CD GLU A 25 -21.722 -1.092 -15.347 1.00 0.00 C ATOM 384 OE1 GLU A 25 -21.567 -1.225 -16.549 1.00 0.00 O ATOM 385 OE2 GLU A 25 -20.833 -0.770 -14.576 1.00 0.00 O ATOM 0 H GLU A 25 -23.907 -2.805 -12.328 1.00 0.00 H new ATOM 0 HA GLU A 25 -25.499 -2.422 -14.738 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -22.677 -3.291 -13.940 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -23.162 -3.328 -15.624 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -23.873 -0.885 -15.405 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -23.202 -0.882 -13.786 1.00 0.00 H new ATOM 392 N GLU A 26 -24.896 -5.490 -13.796 1.00 0.00 N ATOM 393 CA GLU A 26 -25.281 -6.902 -14.092 1.00 0.00 C ATOM 394 C GLU A 26 -26.584 -7.267 -13.370 1.00 0.00 C ATOM 395 O GLU A 26 -26.865 -8.426 -13.132 1.00 0.00 O ATOM 396 CB GLU A 26 -24.121 -7.747 -13.563 1.00 0.00 C ATOM 397 CG GLU A 26 -24.348 -9.215 -13.927 1.00 0.00 C ATOM 398 CD GLU A 26 -23.004 -9.941 -13.989 1.00 0.00 C ATOM 399 OE1 GLU A 26 -22.367 -10.055 -12.955 1.00 0.00 O ATOM 400 OE2 GLU A 26 -22.633 -10.369 -15.070 1.00 0.00 O ATOM 0 H GLU A 26 -24.368 -5.359 -12.933 1.00 0.00 H new ATOM 0 HA GLU A 26 -25.456 -7.065 -15.156 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -23.180 -7.398 -13.988 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -24.042 -7.638 -12.481 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -24.995 -9.688 -13.188 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -24.857 -9.287 -14.888 1.00 0.00 H new ATOM 407 N HIS A 27 -27.380 -6.285 -13.020 1.00 0.00 N ATOM 408 CA HIS A 27 -28.666 -6.568 -12.315 1.00 0.00 C ATOM 409 C HIS A 27 -29.843 -6.394 -13.279 1.00 0.00 C ATOM 410 O HIS A 27 -30.707 -7.243 -13.375 1.00 0.00 O ATOM 411 CB HIS A 27 -28.733 -5.532 -11.192 1.00 0.00 C ATOM 412 CG HIS A 27 -29.877 -5.860 -10.272 1.00 0.00 C ATOM 413 ND1 HIS A 27 -29.726 -6.688 -9.170 1.00 0.00 N ATOM 414 CD2 HIS A 27 -31.196 -5.480 -10.277 1.00 0.00 C ATOM 415 CE1 HIS A 27 -30.922 -6.778 -8.564 1.00 0.00 C ATOM 416 NE2 HIS A 27 -31.855 -6.061 -9.197 1.00 0.00 N ATOM 0 H HIS A 27 -27.192 -5.298 -13.194 1.00 0.00 H new ATOM 0 HA HIS A 27 -28.716 -7.588 -11.933 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -27.796 -5.523 -10.635 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -28.864 -4.534 -11.611 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -31.653 -4.829 -11.008 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -31.107 -7.360 -7.673 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -32.838 -5.961 -8.944 1.00 0.00 H new ATOM 424 N LYS A 28 -29.877 -5.296 -13.992 1.00 0.00 N ATOM 425 CA LYS A 28 -30.997 -5.053 -14.956 1.00 0.00 C ATOM 426 C LYS A 28 -31.051 -6.169 -16.005 1.00 0.00 C ATOM 427 O LYS A 28 -32.097 -6.465 -16.552 1.00 0.00 O ATOM 428 CB LYS A 28 -30.676 -3.713 -15.619 1.00 0.00 C ATOM 429 CG LYS A 28 -31.932 -3.162 -16.296 1.00 0.00 C ATOM 430 CD LYS A 28 -31.966 -3.617 -17.757 1.00 0.00 C ATOM 431 CE LYS A 28 -32.848 -2.664 -18.567 1.00 0.00 C ATOM 432 NZ LYS A 28 -34.235 -3.179 -18.390 1.00 0.00 N ATOM 0 H LYS A 28 -29.177 -4.555 -13.949 1.00 0.00 H new ATOM 0 HA LYS A 28 -31.966 -5.038 -14.458 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -30.312 -3.005 -14.874 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -29.881 -3.840 -16.353 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -32.823 -3.512 -15.774 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -31.939 -2.073 -16.243 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -30.956 -3.633 -18.168 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -32.353 -4.634 -17.824 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -32.758 -1.640 -18.206 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -32.560 -2.657 -19.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -34.899 -2.576 -18.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -34.292 -4.153 -18.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -34.484 -3.167 -17.380 1.00 0.00 H new ATOM 446 N LYS A 29 -29.932 -6.787 -16.287 1.00 0.00 N ATOM 447 CA LYS A 29 -29.912 -7.887 -17.303 1.00 0.00 C ATOM 448 C LYS A 29 -30.843 -9.025 -16.875 1.00 0.00 C ATOM 449 O LYS A 29 -31.362 -9.755 -17.698 1.00 0.00 O ATOM 450 CB LYS A 29 -28.461 -8.373 -17.343 1.00 0.00 C ATOM 451 CG LYS A 29 -27.595 -7.340 -18.067 1.00 0.00 C ATOM 452 CD LYS A 29 -26.184 -7.903 -18.260 1.00 0.00 C ATOM 453 CE LYS A 29 -25.228 -6.767 -18.630 1.00 0.00 C ATOM 454 NZ LYS A 29 -23.971 -7.446 -19.052 1.00 0.00 N ATOM 0 H LYS A 29 -29.030 -6.578 -15.858 1.00 0.00 H new ATOM 0 HA LYS A 29 -30.254 -7.545 -18.280 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -28.090 -8.528 -16.330 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -28.402 -9.334 -17.854 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -28.035 -7.094 -19.033 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -27.554 -6.416 -17.490 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -25.848 -8.392 -17.346 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -26.187 -8.660 -19.044 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -25.635 -6.154 -19.434 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -25.054 -6.105 -17.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -23.264 -6.732 -19.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -23.603 -8.017 -18.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -24.166 -8.064 -19.865 1.00 0.00 H new ATOM 468 N LYS A 30 -31.055 -9.181 -15.593 1.00 0.00 N ATOM 469 CA LYS A 30 -31.952 -10.274 -15.101 1.00 0.00 C ATOM 470 C LYS A 30 -32.952 -9.740 -14.067 1.00 0.00 C ATOM 471 O LYS A 30 -33.525 -10.498 -13.309 1.00 0.00 O ATOM 472 CB LYS A 30 -31.022 -11.319 -14.466 1.00 0.00 C ATOM 473 CG LYS A 30 -30.100 -10.660 -13.434 1.00 0.00 C ATOM 474 CD LYS A 30 -29.846 -11.630 -12.278 1.00 0.00 C ATOM 475 CE LYS A 30 -28.878 -12.724 -12.732 1.00 0.00 C ATOM 476 NZ LYS A 30 -28.609 -13.531 -11.511 1.00 0.00 N ATOM 0 H LYS A 30 -30.645 -8.598 -14.863 1.00 0.00 H new ATOM 0 HA LYS A 30 -32.543 -10.699 -15.912 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -31.614 -12.099 -13.988 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -30.425 -11.802 -15.240 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -29.156 -10.380 -13.901 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -30.554 -9.743 -13.059 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -29.431 -11.094 -11.424 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -30.785 -12.075 -11.949 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -29.316 -13.336 -13.521 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -27.959 -12.296 -13.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -27.951 -14.303 -11.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -28.186 -12.924 -10.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -29.501 -13.931 -11.156 1.00 0.00 H new ATOM 490 N HIS A 31 -33.177 -8.447 -14.040 1.00 0.00 N ATOM 491 CA HIS A 31 -34.150 -7.870 -13.063 1.00 0.00 C ATOM 492 C HIS A 31 -34.904 -6.690 -13.704 1.00 0.00 C ATOM 493 O HIS A 31 -34.800 -5.570 -13.242 1.00 0.00 O ATOM 494 CB HIS A 31 -33.302 -7.393 -11.881 1.00 0.00 C ATOM 495 CG HIS A 31 -32.634 -8.575 -11.234 1.00 0.00 C ATOM 496 ND1 HIS A 31 -33.339 -9.708 -10.861 1.00 0.00 N ATOM 497 CD2 HIS A 31 -31.326 -8.819 -10.897 1.00 0.00 C ATOM 498 CE1 HIS A 31 -32.459 -10.574 -10.328 1.00 0.00 C ATOM 499 NE2 HIS A 31 -31.219 -10.082 -10.323 1.00 0.00 N ATOM 0 H HIS A 31 -32.727 -7.768 -14.654 1.00 0.00 H new ATOM 0 HA HIS A 31 -34.901 -8.596 -12.751 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -32.552 -6.680 -12.222 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -33.929 -6.874 -11.156 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -34.342 -9.858 -10.971 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -30.505 -8.135 -11.054 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -32.724 -11.550 -9.950 1.00 0.00 H new ATOM 507 N PRO A 32 -35.644 -6.973 -14.757 1.00 0.00 N ATOM 508 CA PRO A 32 -36.408 -5.902 -15.445 1.00 0.00 C ATOM 509 C PRO A 32 -37.605 -5.466 -14.594 1.00 0.00 C ATOM 510 O PRO A 32 -37.911 -4.293 -14.497 1.00 0.00 O ATOM 511 CB PRO A 32 -36.875 -6.565 -16.738 1.00 0.00 C ATOM 512 CG PRO A 32 -36.901 -8.028 -16.437 1.00 0.00 C ATOM 513 CD PRO A 32 -35.842 -8.285 -15.397 1.00 0.00 C ATOM 0 HA PRO A 32 -35.817 -5.003 -15.622 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -37.861 -6.205 -17.032 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -36.197 -6.344 -17.562 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -37.882 -8.328 -16.070 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -36.706 -8.610 -17.338 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -36.165 -9.036 -14.676 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -34.920 -8.652 -15.848 1.00 0.00 H new ATOM 521 N ASP A 33 -38.280 -6.404 -13.980 1.00 0.00 N ATOM 522 CA ASP A 33 -39.460 -6.052 -13.132 1.00 0.00 C ATOM 523 C ASP A 33 -39.063 -6.032 -11.652 1.00 0.00 C ATOM 524 O ASP A 33 -39.812 -6.462 -10.794 1.00 0.00 O ATOM 525 CB ASP A 33 -40.498 -7.148 -13.406 1.00 0.00 C ATOM 526 CG ASP A 33 -39.927 -8.521 -13.034 1.00 0.00 C ATOM 527 OD1 ASP A 33 -39.128 -9.035 -13.799 1.00 0.00 O ATOM 528 OD2 ASP A 33 -40.300 -9.033 -11.992 1.00 0.00 O ATOM 0 H ASP A 33 -38.065 -7.400 -14.029 1.00 0.00 H new ATOM 0 HA ASP A 33 -39.853 -5.062 -13.364 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -41.403 -6.954 -12.830 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -40.781 -7.136 -14.459 1.00 0.00 H new ATOM 533 N SER A 34 -37.889 -5.537 -11.352 1.00 0.00 N ATOM 534 CA SER A 34 -37.433 -5.483 -9.930 1.00 0.00 C ATOM 535 C SER A 34 -37.298 -4.028 -9.474 1.00 0.00 C ATOM 536 O SER A 34 -36.845 -3.176 -10.215 1.00 0.00 O ATOM 537 CB SER A 34 -36.071 -6.175 -9.927 1.00 0.00 C ATOM 538 OG SER A 34 -35.650 -6.374 -8.584 1.00 0.00 O ATOM 0 H SER A 34 -37.225 -5.167 -12.032 1.00 0.00 H new ATOM 0 HA SER A 34 -38.136 -5.964 -9.250 1.00 0.00 H new ATOM 0 HB2 SER A 34 -36.135 -7.131 -10.446 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.341 -5.569 -10.463 1.00 0.00 H new ATOM 0 HG SER A 34 -34.777 -6.819 -8.577 1.00 0.00 H new ATOM 544 N SER A 35 -37.691 -3.740 -8.259 1.00 0.00 N ATOM 545 CA SER A 35 -37.593 -2.346 -7.744 1.00 0.00 C ATOM 546 C SER A 35 -36.334 -2.185 -6.887 1.00 0.00 C ATOM 547 O SER A 35 -36.364 -2.366 -5.685 1.00 0.00 O ATOM 548 CB SER A 35 -38.847 -2.148 -6.894 1.00 0.00 C ATOM 549 OG SER A 35 -38.944 -0.783 -6.509 1.00 0.00 O ATOM 0 H SER A 35 -38.077 -4.416 -7.600 1.00 0.00 H new ATOM 0 HA SER A 35 -37.526 -1.614 -8.548 1.00 0.00 H new ATOM 0 HB2 SER A 35 -39.732 -2.442 -7.458 1.00 0.00 H new ATOM 0 HB3 SER A 35 -38.805 -2.785 -6.010 1.00 0.00 H new ATOM 0 HG SER A 35 -39.749 -0.653 -5.965 1.00 0.00 H new ATOM 555 N VAL A 36 -35.228 -1.846 -7.502 1.00 0.00 N ATOM 556 CA VAL A 36 -33.961 -1.670 -6.731 1.00 0.00 C ATOM 557 C VAL A 36 -33.922 -0.281 -6.085 1.00 0.00 C ATOM 558 O VAL A 36 -33.462 0.675 -6.680 1.00 0.00 O ATOM 559 CB VAL A 36 -32.839 -1.819 -7.766 1.00 0.00 C ATOM 560 CG1 VAL A 36 -31.478 -1.618 -7.094 1.00 0.00 C ATOM 561 CG2 VAL A 36 -32.892 -3.220 -8.373 1.00 0.00 C ATOM 0 H VAL A 36 -35.149 -1.684 -8.506 1.00 0.00 H new ATOM 0 HA VAL A 36 -33.865 -2.396 -5.923 1.00 0.00 H new ATOM 0 HB VAL A 36 -32.973 -1.069 -8.546 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -30.687 -1.725 -7.836 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -31.432 -0.621 -6.656 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -31.345 -2.364 -6.311 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -32.095 -3.328 -9.109 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -32.762 -3.963 -7.586 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -33.857 -3.370 -8.858 1.00 0.00 H new ATOM 571 N ASN A 37 -34.382 -0.173 -4.865 1.00 0.00 N ATOM 572 CA ASN A 37 -34.352 1.148 -4.163 1.00 0.00 C ATOM 573 C ASN A 37 -33.071 1.249 -3.330 1.00 0.00 C ATOM 574 O ASN A 37 -33.101 1.603 -2.170 1.00 0.00 O ATOM 575 CB ASN A 37 -35.597 1.173 -3.266 1.00 0.00 C ATOM 576 CG ASN A 37 -35.576 -0.010 -2.292 1.00 0.00 C ATOM 577 OD1 ASN A 37 -34.767 -0.055 -1.388 1.00 0.00 O ATOM 578 ND2 ASN A 37 -36.444 -0.974 -2.439 1.00 0.00 N ATOM 0 H ASN A 37 -34.777 -0.942 -4.324 1.00 0.00 H new ATOM 0 HA ASN A 37 -34.357 1.989 -4.856 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -35.634 2.110 -2.710 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -36.497 1.131 -3.880 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -36.442 -1.765 -1.794 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -37.124 -0.937 -3.198 1.00 0.00 H new ATOM 585 N PHE A 38 -31.951 0.926 -3.934 1.00 0.00 N ATOM 586 CA PHE A 38 -30.628 0.966 -3.233 1.00 0.00 C ATOM 587 C PHE A 38 -30.616 0.035 -2.020 1.00 0.00 C ATOM 588 O PHE A 38 -30.046 -1.027 -2.075 1.00 0.00 O ATOM 589 CB PHE A 38 -30.388 2.416 -2.802 1.00 0.00 C ATOM 590 CG PHE A 38 -30.115 3.258 -4.024 1.00 0.00 C ATOM 591 CD1 PHE A 38 -28.820 3.318 -4.551 1.00 0.00 C ATOM 592 CD2 PHE A 38 -31.152 3.974 -4.633 1.00 0.00 C ATOM 593 CE1 PHE A 38 -28.561 4.094 -5.686 1.00 0.00 C ATOM 594 CE2 PHE A 38 -30.893 4.749 -5.770 1.00 0.00 C ATOM 595 CZ PHE A 38 -29.596 4.809 -6.295 1.00 0.00 C ATOM 0 H PHE A 38 -31.899 0.629 -4.908 1.00 0.00 H new ATOM 0 HA PHE A 38 -29.837 0.624 -3.900 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -31.259 2.798 -2.269 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -29.545 2.469 -2.114 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -28.020 2.765 -4.081 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -32.151 3.929 -4.226 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -27.561 4.141 -6.092 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -31.693 5.300 -6.242 1.00 0.00 H new ATOM 0 HZ PHE A 38 -29.396 5.408 -7.171 1.00 0.00 H new ATOM 605 N ALA A 39 -31.221 0.431 -0.926 1.00 0.00 N ATOM 606 CA ALA A 39 -31.225 -0.426 0.312 1.00 0.00 C ATOM 607 C ALA A 39 -31.544 -1.894 0.009 1.00 0.00 C ATOM 608 O ALA A 39 -30.878 -2.785 0.503 1.00 0.00 O ATOM 609 CB ALA A 39 -32.301 0.180 1.214 1.00 0.00 C ATOM 0 H ALA A 39 -31.717 1.317 -0.833 1.00 0.00 H new ATOM 0 HA ALA A 39 -30.240 -0.434 0.778 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -32.364 -0.392 2.140 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -32.044 1.214 1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -33.263 0.150 0.703 1.00 0.00 H new ATOM 615 N GLU A 40 -32.537 -2.158 -0.799 1.00 0.00 N ATOM 616 CA GLU A 40 -32.869 -3.581 -1.130 1.00 0.00 C ATOM 617 C GLU A 40 -31.649 -4.271 -1.758 1.00 0.00 C ATOM 618 O GLU A 40 -31.540 -5.483 -1.746 1.00 0.00 O ATOM 619 CB GLU A 40 -34.024 -3.509 -2.130 1.00 0.00 C ATOM 620 CG GLU A 40 -34.736 -4.862 -2.187 1.00 0.00 C ATOM 621 CD GLU A 40 -36.106 -4.692 -2.843 1.00 0.00 C ATOM 622 OE1 GLU A 40 -36.957 -4.060 -2.239 1.00 0.00 O ATOM 623 OE2 GLU A 40 -36.282 -5.197 -3.941 1.00 0.00 O ATOM 0 H GLU A 40 -33.131 -1.457 -1.243 1.00 0.00 H new ATOM 0 HA GLU A 40 -33.143 -4.156 -0.246 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -34.726 -2.729 -1.835 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -33.648 -3.242 -3.118 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -34.137 -5.576 -2.752 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -34.851 -5.267 -1.182 1.00 0.00 H new ATOM 630 N PHE A 41 -30.731 -3.504 -2.296 1.00 0.00 N ATOM 631 CA PHE A 41 -29.515 -4.103 -2.914 1.00 0.00 C ATOM 632 C PHE A 41 -28.286 -3.798 -2.053 1.00 0.00 C ATOM 633 O PHE A 41 -27.373 -4.595 -1.948 1.00 0.00 O ATOM 634 CB PHE A 41 -29.404 -3.434 -4.284 1.00 0.00 C ATOM 635 CG PHE A 41 -28.439 -4.205 -5.151 1.00 0.00 C ATOM 636 CD1 PHE A 41 -28.785 -5.477 -5.623 1.00 0.00 C ATOM 637 CD2 PHE A 41 -27.199 -3.648 -5.485 1.00 0.00 C ATOM 638 CE1 PHE A 41 -27.891 -6.192 -6.430 1.00 0.00 C ATOM 639 CE2 PHE A 41 -26.306 -4.362 -6.292 1.00 0.00 C ATOM 640 CZ PHE A 41 -26.651 -5.634 -6.765 1.00 0.00 C ATOM 0 H PHE A 41 -30.776 -2.486 -2.332 1.00 0.00 H new ATOM 0 HA PHE A 41 -29.577 -5.188 -2.998 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -30.384 -3.394 -4.760 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -29.063 -2.405 -4.170 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -29.741 -5.907 -5.365 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -26.931 -2.667 -5.120 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -28.158 -7.173 -6.794 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -25.350 -3.931 -6.550 1.00 0.00 H new ATOM 0 HZ PHE A 41 -25.961 -6.184 -7.388 1.00 0.00 H new ATOM 650 N SER A 42 -28.271 -2.652 -1.430 1.00 0.00 N ATOM 651 CA SER A 42 -27.124 -2.270 -0.557 1.00 0.00 C ATOM 652 C SER A 42 -26.988 -3.276 0.597 1.00 0.00 C ATOM 653 O SER A 42 -25.937 -3.418 1.191 1.00 0.00 O ATOM 654 CB SER A 42 -27.468 -0.867 -0.048 1.00 0.00 C ATOM 655 OG SER A 42 -28.170 -0.947 1.189 1.00 0.00 O ATOM 0 H SER A 42 -29.014 -1.955 -1.489 1.00 0.00 H new ATOM 0 HA SER A 42 -26.169 -2.276 -1.082 1.00 0.00 H new ATOM 0 HB2 SER A 42 -26.555 -0.286 0.081 1.00 0.00 H new ATOM 0 HB3 SER A 42 -28.077 -0.344 -0.786 1.00 0.00 H new ATOM 0 HG SER A 42 -28.242 -0.052 1.583 1.00 0.00 H new ATOM 661 N LYS A 43 -28.055 -3.973 0.914 1.00 0.00 N ATOM 662 CA LYS A 43 -28.011 -4.970 2.021 1.00 0.00 C ATOM 663 C LYS A 43 -27.478 -6.315 1.508 1.00 0.00 C ATOM 664 O LYS A 43 -26.953 -7.109 2.266 1.00 0.00 O ATOM 665 CB LYS A 43 -29.469 -5.114 2.474 1.00 0.00 C ATOM 666 CG LYS A 43 -29.697 -4.290 3.743 1.00 0.00 C ATOM 667 CD LYS A 43 -31.169 -4.380 4.152 1.00 0.00 C ATOM 668 CE LYS A 43 -31.438 -5.741 4.797 1.00 0.00 C ATOM 669 NZ LYS A 43 -32.726 -5.575 5.526 1.00 0.00 N ATOM 0 H LYS A 43 -28.958 -3.890 0.447 1.00 0.00 H new ATOM 0 HA LYS A 43 -27.354 -4.657 2.832 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -30.141 -4.777 1.684 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -29.700 -6.162 2.663 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -29.062 -4.659 4.548 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -29.420 -3.250 3.569 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -31.413 -3.580 4.851 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -31.809 -4.247 3.279 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -31.509 -6.527 4.045 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -30.633 -6.022 5.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -32.977 -6.469 5.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -32.627 -4.825 6.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -33.475 -5.315 4.853 1.00 0.00 H new ATOM 683 N LYS A 44 -27.618 -6.576 0.232 1.00 0.00 N ATOM 684 CA LYS A 44 -27.130 -7.871 -0.332 1.00 0.00 C ATOM 685 C LYS A 44 -25.640 -7.786 -0.680 1.00 0.00 C ATOM 686 O LYS A 44 -24.886 -8.709 -0.431 1.00 0.00 O ATOM 687 CB LYS A 44 -27.960 -8.090 -1.597 1.00 0.00 C ATOM 688 CG LYS A 44 -27.872 -9.559 -2.013 1.00 0.00 C ATOM 689 CD LYS A 44 -28.551 -10.434 -0.958 1.00 0.00 C ATOM 690 CE LYS A 44 -29.011 -11.744 -1.599 1.00 0.00 C ATOM 691 NZ LYS A 44 -30.128 -12.223 -0.736 1.00 0.00 N ATOM 0 H LYS A 44 -28.050 -5.946 -0.444 1.00 0.00 H new ATOM 0 HA LYS A 44 -27.238 -8.689 0.380 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -28.999 -7.813 -1.416 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -27.595 -7.450 -2.400 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -28.351 -9.702 -2.982 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -26.829 -9.853 -2.127 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -27.859 -10.640 -0.141 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -29.404 -9.908 -0.528 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -29.344 -11.586 -2.625 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -28.200 -12.472 -1.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -30.497 -13.120 -1.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -29.779 -12.371 0.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -30.888 -11.513 -0.726 1.00 0.00 H new ATOM 705 N CYS A 45 -25.211 -6.691 -1.258 1.00 0.00 N ATOM 706 CA CYS A 45 -23.766 -6.550 -1.628 1.00 0.00 C ATOM 707 C CYS A 45 -22.878 -6.685 -0.384 1.00 0.00 C ATOM 708 O CYS A 45 -21.738 -7.100 -0.468 1.00 0.00 O ATOM 709 CB CYS A 45 -23.633 -5.150 -2.251 1.00 0.00 C ATOM 710 SG CYS A 45 -24.126 -3.880 -1.055 1.00 0.00 S ATOM 0 H CYS A 45 -25.797 -5.889 -1.490 1.00 0.00 H new ATOM 0 HA CYS A 45 -23.447 -7.326 -2.324 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -22.604 -4.981 -2.567 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -24.256 -5.081 -3.143 1.00 0.00 H new ATOM 0 HG CYS A 45 -24.889 -4.412 -0.147 1.00 0.00 H new ATOM 716 N SER A 46 -23.397 -6.335 0.767 1.00 0.00 N ATOM 717 CA SER A 46 -22.591 -6.442 2.022 1.00 0.00 C ATOM 718 C SER A 46 -22.409 -7.912 2.406 1.00 0.00 C ATOM 719 O SER A 46 -21.405 -8.292 2.980 1.00 0.00 O ATOM 720 CB SER A 46 -23.405 -5.707 3.088 1.00 0.00 C ATOM 721 OG SER A 46 -24.703 -6.282 3.167 1.00 0.00 O ATOM 0 H SER A 46 -24.345 -5.980 0.891 1.00 0.00 H new ATOM 0 HA SER A 46 -21.595 -6.015 1.908 1.00 0.00 H new ATOM 0 HB2 SER A 46 -22.905 -5.775 4.054 1.00 0.00 H new ATOM 0 HB3 SER A 46 -23.478 -4.648 2.840 1.00 0.00 H new ATOM 0 HG SER A 46 -25.227 -5.814 3.850 1.00 0.00 H new ATOM 727 N GLU A 47 -23.372 -8.740 2.090 1.00 0.00 N ATOM 728 CA GLU A 47 -23.261 -10.191 2.431 1.00 0.00 C ATOM 729 C GLU A 47 -22.199 -10.855 1.550 1.00 0.00 C ATOM 730 O GLU A 47 -21.494 -11.749 1.981 1.00 0.00 O ATOM 731 CB GLU A 47 -24.644 -10.781 2.142 1.00 0.00 C ATOM 732 CG GLU A 47 -25.676 -10.139 3.072 1.00 0.00 C ATOM 733 CD GLU A 47 -26.852 -11.098 3.268 1.00 0.00 C ATOM 734 OE1 GLU A 47 -26.641 -12.155 3.838 1.00 0.00 O ATOM 735 OE2 GLU A 47 -27.945 -10.759 2.843 1.00 0.00 O ATOM 0 H GLU A 47 -24.232 -8.474 1.610 1.00 0.00 H new ATOM 0 HA GLU A 47 -22.964 -10.350 3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -24.916 -10.604 1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -24.628 -11.861 2.289 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -25.219 -9.905 4.034 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.027 -9.198 2.649 1.00 0.00 H new ATOM 742 N ARG A 48 -22.083 -10.421 0.322 1.00 0.00 N ATOM 743 CA ARG A 48 -21.066 -11.017 -0.597 1.00 0.00 C ATOM 744 C ARG A 48 -19.728 -10.290 -0.442 1.00 0.00 C ATOM 745 O ARG A 48 -18.673 -10.895 -0.495 1.00 0.00 O ATOM 746 CB ARG A 48 -21.632 -10.804 -2.004 1.00 0.00 C ATOM 747 CG ARG A 48 -22.247 -12.110 -2.516 1.00 0.00 C ATOM 748 CD ARG A 48 -21.131 -13.093 -2.877 1.00 0.00 C ATOM 749 NE ARG A 48 -21.713 -14.445 -2.645 1.00 0.00 N ATOM 750 CZ ARG A 48 -21.159 -15.495 -3.187 1.00 0.00 C ATOM 751 NH1 ARG A 48 -21.340 -15.747 -4.455 1.00 0.00 N ATOM 752 NH2 ARG A 48 -20.424 -16.292 -2.462 1.00 0.00 N ATOM 0 H ARG A 48 -22.650 -9.678 -0.086 1.00 0.00 H new ATOM 0 HA ARG A 48 -20.883 -12.071 -0.386 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -22.386 -10.017 -1.988 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -20.842 -10.474 -2.678 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -22.895 -12.543 -1.754 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -22.869 -11.914 -3.389 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -20.819 -12.971 -3.914 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -20.249 -12.932 -2.258 1.00 0.00 H new ATOM 0 HE ARG A 48 -22.544 -14.550 -2.063 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -21.914 -15.123 -5.022 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -20.907 -16.568 -4.879 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -20.282 -16.095 -1.471 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -19.991 -17.113 -2.886 1.00 0.00 H new ATOM 766 N TRP A 49 -19.768 -8.996 -0.250 1.00 0.00 N ATOM 767 CA TRP A 49 -18.501 -8.215 -0.090 1.00 0.00 C ATOM 768 C TRP A 49 -17.746 -8.679 1.162 1.00 0.00 C ATOM 769 O TRP A 49 -16.561 -8.947 1.117 1.00 0.00 O ATOM 770 CB TRP A 49 -18.948 -6.755 0.059 1.00 0.00 C ATOM 771 CG TRP A 49 -17.751 -5.866 0.183 1.00 0.00 C ATOM 772 CD1 TRP A 49 -17.477 -5.077 1.247 1.00 0.00 C ATOM 773 CD2 TRP A 49 -16.665 -5.663 -0.768 1.00 0.00 C ATOM 774 NE1 TRP A 49 -16.293 -4.402 1.010 1.00 0.00 N ATOM 775 CE2 TRP A 49 -15.754 -4.730 -0.219 1.00 0.00 C ATOM 776 CE3 TRP A 49 -16.384 -6.192 -2.041 1.00 0.00 C ATOM 777 CZ2 TRP A 49 -14.606 -4.335 -0.907 1.00 0.00 C ATOM 778 CZ3 TRP A 49 -15.231 -5.796 -2.736 1.00 0.00 C ATOM 779 CH2 TRP A 49 -14.343 -4.871 -2.171 1.00 0.00 C ATOM 0 H TRP A 49 -20.624 -8.444 -0.197 1.00 0.00 H new ATOM 0 HA TRP A 49 -17.825 -8.348 -0.935 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -19.544 -6.458 -0.804 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -19.584 -6.648 0.938 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -18.083 -4.988 2.136 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -15.870 -3.743 1.663 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -17.060 -6.907 -2.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.926 -3.621 -0.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -15.027 -6.207 -3.714 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -13.457 -4.573 -2.711 1.00 0.00 H new ATOM 790 N LYS A 50 -18.427 -8.767 2.276 1.00 0.00 N ATOM 791 CA LYS A 50 -17.755 -9.206 3.539 1.00 0.00 C ATOM 792 C LYS A 50 -17.285 -10.661 3.421 1.00 0.00 C ATOM 793 O LYS A 50 -16.348 -11.071 4.080 1.00 0.00 O ATOM 794 CB LYS A 50 -18.821 -9.075 4.628 1.00 0.00 C ATOM 795 CG LYS A 50 -18.820 -7.645 5.173 1.00 0.00 C ATOM 796 CD LYS A 50 -20.157 -7.357 5.858 1.00 0.00 C ATOM 797 CE LYS A 50 -20.178 -8.022 7.235 1.00 0.00 C ATOM 798 NZ LYS A 50 -21.370 -7.449 7.920 1.00 0.00 N ATOM 0 H LYS A 50 -19.420 -8.554 2.367 1.00 0.00 H new ATOM 0 HA LYS A 50 -16.872 -8.606 3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -19.803 -9.320 4.222 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.623 -9.783 5.433 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.002 -7.515 5.881 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -18.655 -6.936 4.362 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -20.301 -6.281 5.960 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -20.979 -7.733 5.248 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -20.255 -9.106 7.149 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -19.264 -7.810 7.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -21.452 -7.857 8.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -21.265 -6.417 7.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -22.226 -7.672 7.373 1.00 0.00 H new ATOM 812 N THR A 51 -17.929 -11.440 2.589 1.00 0.00 N ATOM 813 CA THR A 51 -17.524 -12.870 2.428 1.00 0.00 C ATOM 814 C THR A 51 -16.474 -13.015 1.319 1.00 0.00 C ATOM 815 O THR A 51 -15.731 -13.978 1.285 1.00 0.00 O ATOM 816 CB THR A 51 -18.809 -13.605 2.047 1.00 0.00 C ATOM 817 OG1 THR A 51 -19.383 -12.987 0.905 1.00 0.00 O ATOM 818 CG2 THR A 51 -19.798 -13.547 3.213 1.00 0.00 C ATOM 0 H THR A 51 -18.719 -11.147 2.014 1.00 0.00 H new ATOM 0 HA THR A 51 -17.075 -13.271 3.337 1.00 0.00 H new ATOM 0 HB THR A 51 -18.580 -14.646 1.821 1.00 0.00 H new ATOM 0 HG1 THR A 51 -18.764 -12.315 0.551 1.00 0.00 H new ATOM 0 HG21 THR A 51 -20.714 -14.071 2.940 1.00 0.00 H new ATOM 0 HG22 THR A 51 -19.356 -14.021 4.089 1.00 0.00 H new ATOM 0 HG23 THR A 51 -20.030 -12.507 3.442 1.00 0.00 H new ATOM 826 N MET A 52 -16.407 -12.070 0.412 1.00 0.00 N ATOM 827 CA MET A 52 -15.403 -12.157 -0.699 1.00 0.00 C ATOM 828 C MET A 52 -13.984 -12.253 -0.130 1.00 0.00 C ATOM 829 O MET A 52 -13.665 -11.642 0.874 1.00 0.00 O ATOM 830 CB MET A 52 -15.569 -10.863 -1.498 1.00 0.00 C ATOM 831 CG MET A 52 -16.719 -11.023 -2.498 1.00 0.00 C ATOM 832 SD MET A 52 -16.065 -11.550 -4.103 1.00 0.00 S ATOM 833 CE MET A 52 -15.466 -9.932 -4.647 1.00 0.00 C ATOM 0 H MET A 52 -17.003 -11.242 0.392 1.00 0.00 H new ATOM 0 HA MET A 52 -15.559 -13.040 -1.318 1.00 0.00 H new ATOM 0 HB2 MET A 52 -15.772 -10.031 -0.824 1.00 0.00 H new ATOM 0 HB3 MET A 52 -14.645 -10.628 -2.025 1.00 0.00 H new ATOM 0 HG2 MET A 52 -17.436 -11.756 -2.128 1.00 0.00 H new ATOM 0 HG3 MET A 52 -17.255 -10.080 -2.605 1.00 0.00 H new ATOM 0 HE1 MET A 52 -15.228 -9.971 -5.710 1.00 0.00 H new ATOM 0 HE2 MET A 52 -16.238 -9.182 -4.475 1.00 0.00 H new ATOM 0 HE3 MET A 52 -14.571 -9.668 -4.084 1.00 0.00 H new ATOM 843 N SER A 53 -13.131 -13.015 -0.766 1.00 0.00 N ATOM 844 CA SER A 53 -11.730 -13.158 -0.273 1.00 0.00 C ATOM 845 C SER A 53 -10.868 -12.002 -0.787 1.00 0.00 C ATOM 846 O SER A 53 -11.227 -11.320 -1.728 1.00 0.00 O ATOM 847 CB SER A 53 -11.241 -14.487 -0.846 1.00 0.00 C ATOM 848 OG SER A 53 -11.977 -15.551 -0.259 1.00 0.00 O ATOM 0 H SER A 53 -13.347 -13.546 -1.609 1.00 0.00 H new ATOM 0 HA SER A 53 -11.672 -13.138 0.815 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.366 -14.497 -1.929 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.177 -14.612 -0.647 1.00 0.00 H new ATOM 0 HG SER A 53 -11.667 -16.405 -0.626 1.00 0.00 H new ATOM 854 N ALA A 54 -9.732 -11.778 -0.173 1.00 0.00 N ATOM 855 CA ALA A 54 -8.835 -10.664 -0.619 1.00 0.00 C ATOM 856 C ALA A 54 -8.457 -10.840 -2.093 1.00 0.00 C ATOM 857 O ALA A 54 -8.227 -9.877 -2.802 1.00 0.00 O ATOM 858 CB ALA A 54 -7.592 -10.768 0.266 1.00 0.00 C ATOM 0 H ALA A 54 -9.386 -12.319 0.619 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.319 -9.691 -0.529 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.887 -9.982 -0.003 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.879 -10.656 1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.123 -11.741 0.121 1.00 0.00 H new ATOM 864 N LYS A 55 -8.398 -12.062 -2.558 1.00 0.00 N ATOM 865 CA LYS A 55 -8.040 -12.309 -3.987 1.00 0.00 C ATOM 866 C LYS A 55 -9.233 -11.983 -4.889 1.00 0.00 C ATOM 867 O LYS A 55 -9.070 -11.600 -6.033 1.00 0.00 O ATOM 868 CB LYS A 55 -7.700 -13.799 -4.065 1.00 0.00 C ATOM 869 CG LYS A 55 -6.256 -14.017 -3.610 1.00 0.00 C ATOM 870 CD LYS A 55 -5.298 -13.582 -4.721 1.00 0.00 C ATOM 871 CE LYS A 55 -3.874 -13.510 -4.168 1.00 0.00 C ATOM 872 NZ LYS A 55 -3.413 -14.925 -4.110 1.00 0.00 N ATOM 0 H LYS A 55 -8.583 -12.901 -2.008 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.208 -11.687 -4.317 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.381 -14.372 -3.436 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.829 -14.160 -5.085 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.060 -13.446 -2.702 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.095 -15.067 -3.367 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.342 -14.288 -5.551 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.597 -12.610 -5.113 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.230 -12.911 -4.812 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.856 -13.048 -3.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.019 -15.123 -3.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.217 -15.560 -4.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.681 -15.081 -4.832 1.00 0.00 H new ATOM 886 N GLU A 56 -10.429 -12.130 -4.380 1.00 0.00 N ATOM 887 CA GLU A 56 -11.641 -11.829 -5.198 1.00 0.00 C ATOM 888 C GLU A 56 -11.990 -10.341 -5.096 1.00 0.00 C ATOM 889 O GLU A 56 -12.458 -9.738 -6.045 1.00 0.00 O ATOM 890 CB GLU A 56 -12.754 -12.684 -4.590 1.00 0.00 C ATOM 891 CG GLU A 56 -12.474 -14.161 -4.870 1.00 0.00 C ATOM 892 CD GLU A 56 -13.691 -14.997 -4.468 1.00 0.00 C ATOM 893 OE1 GLU A 56 -13.886 -15.190 -3.280 1.00 0.00 O ATOM 894 OE2 GLU A 56 -14.407 -15.430 -5.356 1.00 0.00 O ATOM 0 H GLU A 56 -10.619 -12.447 -3.429 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.491 -12.049 -6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.814 -12.512 -3.515 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.718 -12.399 -5.012 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.253 -14.306 -5.928 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.596 -14.487 -4.313 1.00 0.00 H new ATOM 901 N LYS A 57 -11.763 -9.746 -3.951 1.00 0.00 N ATOM 902 CA LYS A 57 -12.077 -8.296 -3.778 1.00 0.00 C ATOM 903 C LYS A 57 -10.823 -7.444 -4.013 1.00 0.00 C ATOM 904 O LYS A 57 -10.695 -6.358 -3.481 1.00 0.00 O ATOM 905 CB LYS A 57 -12.567 -8.159 -2.331 1.00 0.00 C ATOM 906 CG LYS A 57 -11.469 -8.606 -1.348 1.00 0.00 C ATOM 907 CD LYS A 57 -11.054 -7.433 -0.444 1.00 0.00 C ATOM 908 CE LYS A 57 -9.636 -6.977 -0.801 1.00 0.00 C ATOM 909 NZ LYS A 57 -9.040 -6.531 0.489 1.00 0.00 N ATOM 0 H LYS A 57 -11.373 -10.204 -3.127 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.826 -7.951 -4.491 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.844 -7.124 -2.131 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.463 -8.763 -2.185 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.832 -9.434 -0.738 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.604 -8.972 -1.900 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.753 -6.605 -0.564 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.095 -7.736 0.602 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.059 -7.790 -1.243 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.653 -6.166 -1.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.070 -6.897 0.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.022 -5.492 0.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.612 -6.893 1.279 1.00 0.00 H new ATOM 923 N SER A 58 -9.901 -7.932 -4.805 1.00 0.00 N ATOM 924 CA SER A 58 -8.653 -7.157 -5.078 1.00 0.00 C ATOM 925 C SER A 58 -8.883 -6.175 -6.230 1.00 0.00 C ATOM 926 O SER A 58 -8.288 -5.115 -6.280 1.00 0.00 O ATOM 927 CB SER A 58 -7.613 -8.205 -5.467 1.00 0.00 C ATOM 928 OG SER A 58 -8.115 -8.989 -6.541 1.00 0.00 O ATOM 0 H SER A 58 -9.959 -8.835 -5.275 1.00 0.00 H new ATOM 0 HA SER A 58 -8.335 -6.569 -4.217 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.682 -7.719 -5.760 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.384 -8.842 -4.612 1.00 0.00 H new ATOM 0 HG SER A 58 -8.403 -9.862 -6.202 1.00 0.00 H new ATOM 934 N LYS A 59 -9.741 -6.523 -7.155 1.00 0.00 N ATOM 935 CA LYS A 59 -10.016 -5.613 -8.311 1.00 0.00 C ATOM 936 C LYS A 59 -10.766 -4.368 -7.833 1.00 0.00 C ATOM 937 O LYS A 59 -10.634 -3.299 -8.399 1.00 0.00 O ATOM 938 CB LYS A 59 -10.886 -6.428 -9.269 1.00 0.00 C ATOM 939 CG LYS A 59 -10.968 -5.712 -10.618 1.00 0.00 C ATOM 940 CD LYS A 59 -12.161 -6.250 -11.412 1.00 0.00 C ATOM 941 CE LYS A 59 -12.356 -5.407 -12.674 1.00 0.00 C ATOM 942 NZ LYS A 59 -13.095 -4.197 -12.217 1.00 0.00 N ATOM 0 H LYS A 59 -10.264 -7.399 -7.161 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.099 -5.270 -8.791 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.466 -7.425 -9.400 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.885 -6.555 -8.851 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.074 -4.638 -10.465 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.046 -5.865 -11.179 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.992 -7.293 -11.681 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.062 -6.221 -10.799 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.399 -5.140 -13.122 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.921 -5.953 -13.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.085 -4.257 -12.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.062 -4.141 -11.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.655 -3.347 -12.624 1.00 0.00 H new ATOM 956 N PHE A 60 -11.552 -4.500 -6.794 1.00 0.00 N ATOM 957 CA PHE A 60 -12.316 -3.329 -6.271 1.00 0.00 C ATOM 958 C PHE A 60 -11.439 -2.510 -5.320 1.00 0.00 C ATOM 959 O PHE A 60 -11.538 -1.298 -5.261 1.00 0.00 O ATOM 960 CB PHE A 60 -13.502 -3.933 -5.521 1.00 0.00 C ATOM 961 CG PHE A 60 -14.435 -4.597 -6.505 1.00 0.00 C ATOM 962 CD1 PHE A 60 -15.211 -3.815 -7.369 1.00 0.00 C ATOM 963 CD2 PHE A 60 -14.524 -5.993 -6.554 1.00 0.00 C ATOM 964 CE1 PHE A 60 -16.075 -4.430 -8.283 1.00 0.00 C ATOM 965 CE2 PHE A 60 -15.389 -6.608 -7.467 1.00 0.00 C ATOM 966 CZ PHE A 60 -16.165 -5.826 -8.331 1.00 0.00 C ATOM 0 H PHE A 60 -11.697 -5.372 -6.285 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.638 -2.656 -7.066 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -13.151 -4.660 -4.789 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -14.031 -3.156 -4.970 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -15.143 -2.738 -7.330 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -13.925 -6.596 -5.887 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -16.672 -3.827 -8.951 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.458 -7.685 -7.505 1.00 0.00 H new ATOM 0 HZ PHE A 60 -16.833 -6.300 -9.035 1.00 0.00 H new ATOM 976 N GLU A 61 -10.584 -3.164 -4.578 1.00 0.00 N ATOM 977 CA GLU A 61 -9.693 -2.431 -3.626 1.00 0.00 C ATOM 978 C GLU A 61 -8.615 -1.664 -4.397 1.00 0.00 C ATOM 979 O GLU A 61 -8.141 -0.632 -3.957 1.00 0.00 O ATOM 980 CB GLU A 61 -9.057 -3.515 -2.754 1.00 0.00 C ATOM 981 CG GLU A 61 -8.479 -2.878 -1.488 1.00 0.00 C ATOM 982 CD GLU A 61 -7.612 -3.902 -0.751 1.00 0.00 C ATOM 983 OE1 GLU A 61 -6.809 -4.547 -1.404 1.00 0.00 O ATOM 984 OE2 GLU A 61 -7.768 -4.023 0.452 1.00 0.00 O ATOM 0 H GLU A 61 -10.463 -4.177 -4.589 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.241 -1.701 -3.030 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.801 -4.266 -2.489 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.270 -4.027 -3.308 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.884 -2.002 -1.748 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.286 -2.535 -0.840 1.00 0.00 H new ATOM 991 N ASP A 62 -8.229 -2.160 -5.545 1.00 0.00 N ATOM 992 CA ASP A 62 -7.182 -1.465 -6.354 1.00 0.00 C ATOM 993 C ASP A 62 -7.800 -0.301 -7.132 1.00 0.00 C ATOM 994 O ASP A 62 -7.142 0.680 -7.423 1.00 0.00 O ATOM 995 CB ASP A 62 -6.649 -2.530 -7.315 1.00 0.00 C ATOM 996 CG ASP A 62 -5.330 -2.054 -7.924 1.00 0.00 C ATOM 997 OD1 ASP A 62 -5.348 -1.049 -8.617 1.00 0.00 O ATOM 998 OD2 ASP A 62 -4.324 -2.702 -7.688 1.00 0.00 O ATOM 0 H ASP A 62 -8.595 -3.018 -5.958 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.391 -1.046 -5.732 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.499 -3.471 -6.785 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.377 -2.721 -8.103 1.00 0.00 H new ATOM 1003 N MET A 63 -9.061 -0.404 -7.469 1.00 0.00 N ATOM 1004 CA MET A 63 -9.732 0.696 -8.230 1.00 0.00 C ATOM 1005 C MET A 63 -9.998 1.887 -7.307 1.00 0.00 C ATOM 1006 O MET A 63 -10.017 3.024 -7.739 1.00 0.00 O ATOM 1007 CB MET A 63 -11.049 0.097 -8.726 1.00 0.00 C ATOM 1008 CG MET A 63 -10.773 -0.841 -9.902 1.00 0.00 C ATOM 1009 SD MET A 63 -10.489 0.137 -11.400 1.00 0.00 S ATOM 1010 CE MET A 63 -12.221 0.279 -11.909 1.00 0.00 C ATOM 0 H MET A 63 -9.656 -1.203 -7.250 1.00 0.00 H new ATOM 0 HA MET A 63 -9.118 1.060 -9.054 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.539 -0.448 -7.920 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.729 0.891 -9.033 1.00 0.00 H new ATOM 0 HG2 MET A 63 -9.903 -1.462 -9.690 1.00 0.00 H new ATOM 0 HG3 MET A 63 -11.617 -1.515 -10.049 1.00 0.00 H new ATOM 0 HE1 MET A 63 -12.283 0.857 -12.831 1.00 0.00 H new ATOM 0 HE2 MET A 63 -12.634 -0.716 -12.075 1.00 0.00 H new ATOM 0 HE3 MET A 63 -12.790 0.782 -11.127 1.00 0.00 H new ATOM 1020 N ALA A 64 -10.202 1.633 -6.039 1.00 0.00 N ATOM 1021 CA ALA A 64 -10.468 2.744 -5.078 1.00 0.00 C ATOM 1022 C ALA A 64 -9.148 3.361 -4.607 1.00 0.00 C ATOM 1023 O ALA A 64 -9.084 4.530 -4.277 1.00 0.00 O ATOM 1024 CB ALA A 64 -11.202 2.089 -3.908 1.00 0.00 C ATOM 0 H ALA A 64 -10.196 0.700 -5.627 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.053 3.548 -5.526 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.434 2.843 -3.156 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.127 1.637 -4.266 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.569 1.319 -3.467 1.00 0.00 H new ATOM 1030 N LYS A 65 -8.097 2.582 -4.575 1.00 0.00 N ATOM 1031 CA LYS A 65 -6.774 3.116 -4.127 1.00 0.00 C ATOM 1032 C LYS A 65 -6.199 4.061 -5.186 1.00 0.00 C ATOM 1033 O LYS A 65 -5.458 4.974 -4.876 1.00 0.00 O ATOM 1034 CB LYS A 65 -5.878 1.886 -3.962 1.00 0.00 C ATOM 1035 CG LYS A 65 -4.606 2.276 -3.204 1.00 0.00 C ATOM 1036 CD LYS A 65 -3.486 2.576 -4.203 1.00 0.00 C ATOM 1037 CE LYS A 65 -2.855 1.264 -4.676 1.00 0.00 C ATOM 1038 NZ LYS A 65 -1.527 1.651 -5.225 1.00 0.00 N ATOM 0 H LYS A 65 -8.097 1.597 -4.840 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.854 3.686 -3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.411 1.105 -3.420 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.620 1.477 -4.939 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.795 3.150 -2.581 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.306 1.468 -2.537 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.883 3.128 -5.055 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.730 3.208 -3.738 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.751 0.557 -3.853 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.470 0.781 -5.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.033 0.803 -5.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.658 2.319 -6.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.961 2.102 -4.478 1.00 0.00 H new ATOM 1052 N SER A 66 -6.538 3.846 -6.432 1.00 0.00 N ATOM 1053 CA SER A 66 -6.015 4.729 -7.519 1.00 0.00 C ATOM 1054 C SER A 66 -6.707 6.094 -7.469 1.00 0.00 C ATOM 1055 O SER A 66 -6.135 7.102 -7.839 1.00 0.00 O ATOM 1056 CB SER A 66 -6.353 4.006 -8.823 1.00 0.00 C ATOM 1057 OG SER A 66 -5.766 4.704 -9.913 1.00 0.00 O ATOM 0 H SER A 66 -7.155 3.096 -6.744 1.00 0.00 H new ATOM 0 HA SER A 66 -4.944 4.909 -7.422 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.983 2.981 -8.791 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.434 3.950 -8.952 1.00 0.00 H new ATOM 0 HG SER A 66 -5.980 4.242 -10.750 1.00 0.00 H new ATOM 1063 N ASP A 67 -7.934 6.129 -7.012 1.00 0.00 N ATOM 1064 CA ASP A 67 -8.673 7.425 -6.934 1.00 0.00 C ATOM 1065 C ASP A 67 -8.329 8.151 -5.630 1.00 0.00 C ATOM 1066 O ASP A 67 -8.320 9.366 -5.572 1.00 0.00 O ATOM 1067 CB ASP A 67 -10.152 7.038 -6.959 1.00 0.00 C ATOM 1068 CG ASP A 67 -10.990 8.248 -7.376 1.00 0.00 C ATOM 1069 OD1 ASP A 67 -10.946 9.245 -6.673 1.00 0.00 O ATOM 1070 OD2 ASP A 67 -11.661 8.159 -8.391 1.00 0.00 O ATOM 0 H ASP A 67 -8.456 5.314 -6.689 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.414 8.099 -7.750 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.312 6.215 -7.655 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.464 6.688 -5.975 1.00 0.00 H new ATOM 1075 N LYS A 68 -8.046 7.412 -4.587 1.00 0.00 N ATOM 1076 CA LYS A 68 -7.701 8.053 -3.280 1.00 0.00 C ATOM 1077 C LYS A 68 -6.415 8.874 -3.416 1.00 0.00 C ATOM 1078 O LYS A 68 -6.220 9.854 -2.723 1.00 0.00 O ATOM 1079 CB LYS A 68 -7.494 6.893 -2.304 1.00 0.00 C ATOM 1080 CG LYS A 68 -7.925 7.321 -0.900 1.00 0.00 C ATOM 1081 CD LYS A 68 -6.744 7.970 -0.177 1.00 0.00 C ATOM 1082 CE LYS A 68 -5.827 6.881 0.385 1.00 0.00 C ATOM 1083 NZ LYS A 68 -6.442 6.494 1.685 1.00 0.00 N ATOM 0 H LYS A 68 -8.039 6.392 -4.583 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.481 8.735 -2.940 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.073 6.027 -2.625 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.446 6.592 -2.298 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.757 8.023 -0.962 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.278 6.457 -0.338 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.189 8.608 -0.865 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.104 8.609 0.630 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.765 6.029 -0.292 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.812 7.252 0.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.261 5.486 1.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.027 7.065 2.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.468 6.660 1.647 1.00 0.00 H new ATOM 1097 N ALA A 69 -5.540 8.476 -4.305 1.00 0.00 N ATOM 1098 CA ALA A 69 -4.261 9.227 -4.494 1.00 0.00 C ATOM 1099 C ALA A 69 -4.508 10.495 -5.317 1.00 0.00 C ATOM 1100 O ALA A 69 -3.807 11.479 -5.178 1.00 0.00 O ATOM 1101 CB ALA A 69 -3.342 8.268 -5.250 1.00 0.00 C ATOM 0 H ALA A 69 -5.656 7.662 -4.909 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.826 9.543 -3.546 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.380 8.749 -5.427 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.193 7.365 -4.658 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.797 8.005 -6.205 1.00 0.00 H new ATOM 1107 N ARG A 70 -5.499 10.476 -6.172 1.00 0.00 N ATOM 1108 CA ARG A 70 -5.796 11.680 -7.010 1.00 0.00 C ATOM 1109 C ARG A 70 -6.171 12.865 -6.116 1.00 0.00 C ATOM 1110 O ARG A 70 -5.949 14.009 -6.465 1.00 0.00 O ATOM 1111 CB ARG A 70 -6.983 11.279 -7.889 1.00 0.00 C ATOM 1112 CG ARG A 70 -7.236 12.369 -8.932 1.00 0.00 C ATOM 1113 CD ARG A 70 -6.226 12.231 -10.073 1.00 0.00 C ATOM 1114 NE ARG A 70 -6.843 11.256 -11.015 1.00 0.00 N ATOM 1115 CZ ARG A 70 -6.099 10.367 -11.613 1.00 0.00 C ATOM 1116 NH1 ARG A 70 -5.190 10.747 -12.469 1.00 0.00 N ATOM 1117 NH2 ARG A 70 -6.263 9.098 -11.357 1.00 0.00 N ATOM 0 H ARG A 70 -6.116 9.679 -6.327 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.936 11.986 -7.606 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.779 10.329 -8.383 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.872 11.135 -7.275 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.251 12.287 -9.320 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.149 13.354 -8.473 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.045 13.190 -10.559 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.264 11.873 -9.708 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.847 11.284 -11.192 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.062 11.739 -12.670 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.608 10.052 -12.937 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.974 8.800 -10.689 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.681 8.404 -11.825 1.00 0.00 H new ATOM 1131 N TYR A 71 -6.737 12.595 -4.967 1.00 0.00 N ATOM 1132 CA TYR A 71 -7.132 13.700 -4.043 1.00 0.00 C ATOM 1133 C TYR A 71 -5.967 14.060 -3.116 1.00 0.00 C ATOM 1134 O TYR A 71 -5.845 15.185 -2.668 1.00 0.00 O ATOM 1135 CB TYR A 71 -8.306 13.144 -3.238 1.00 0.00 C ATOM 1136 CG TYR A 71 -9.000 14.272 -2.515 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -8.515 14.713 -1.278 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -10.127 14.878 -3.082 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -9.159 15.759 -0.607 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -10.771 15.924 -2.411 1.00 0.00 C ATOM 1141 CZ TYR A 71 -10.286 16.366 -1.173 1.00 0.00 C ATOM 1142 OH TYR A 71 -10.920 17.397 -0.512 1.00 0.00 O ATOM 0 H TYR A 71 -6.943 11.655 -4.629 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.401 14.609 -4.580 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.007 12.637 -3.901 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.951 12.403 -2.522 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.644 14.246 -0.842 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.500 14.539 -4.037 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -8.786 16.098 0.348 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.642 16.390 -2.848 1.00 0.00 H new ATOM 0 HH TYR A 71 -11.683 17.706 -1.043 1.00 0.00 H new