USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 439 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 421 LYS NZ :NH3+ 173:sc= -0.288 (180deg=-0.413) USER MOD Single : A 423 TYR OH : rot -55:sc= 0.00711 USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 427 GLN :FLIP amide:sc= -1.86 F(o=-2.6,f=-1.9) USER MOD Single : A 429 MET CE :methyl -178:sc= 0 (180deg=-0.00952) USER MOD Single : A 430 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 431 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 435 GLN :FLIP amide:sc= -3.2! C(o=-5.2!,f=-3.2!) USER MOD Single : A 437 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD Single : A 443 LYS NZ :NH3+ -115:sc= -1.05 (180deg=-4.3!) USER MOD Single : A 445 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 446 GLN : amide:sc= -0.471 X(o=-0.47,f=-0.092) USER MOD Single : A 447 HIS :FLIP no HE2:sc= -13.5! C(o=-15!,f=-13!) USER MOD Single : A 449 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 450 ASN : amide:sc= -8.29! C(o=-8.3!,f=-14!) USER MOD Single : A 456 SER OG : rot 180:sc= 0 USER MOD Single : A 461 LYS NZ :NH3+ -171:sc= -1.52! (180deg=-1.82!) USER MOD Single : A 462 THR OG1 : rot 180:sc= -1.95 USER MOD Single : A 466 CYS SG : rot 55:sc= -0.0311 USER MOD Single : A 469 TYR OH : rot 76:sc= -2.62! USER MOD Single : A 470 TYR OH : rot 180:sc= 0 USER MOD Single : A 471 TYR OH : rot 171:sc= -3.9! USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 421 -0.906 -4.792 8.944 1.00 10.00 N ATOM 112 CA LYS A 421 -1.471 -4.851 7.601 1.00 10.00 C ATOM 113 C LYS A 421 -0.362 -4.960 6.579 1.00 10.00 C ATOM 114 O LYS A 421 0.257 -3.967 6.195 1.00 10.00 O ATOM 115 CB LYS A 421 -2.339 -3.640 7.311 1.00 10.00 C ATOM 116 CG LYS A 421 -3.324 -3.867 6.177 1.00 10.00 C ATOM 117 CD LYS A 421 -2.631 -4.255 4.881 1.00 10.00 C ATOM 118 CE LYS A 421 -2.551 -5.766 4.728 1.00 10.00 C ATOM 119 NZ LYS A 421 -3.613 -6.290 3.825 1.00 10.00 N ATOM 0 HA LYS A 421 -2.105 -5.736 7.539 1.00 10.00 H new ATOM 0 HB2 LYS A 421 -2.889 -3.371 8.213 1.00 10.00 H new ATOM 0 HB3 LYS A 421 -1.699 -2.793 7.063 1.00 10.00 H new ATOM 0 HG2 LYS A 421 -4.026 -4.651 6.460 1.00 10.00 H new ATOM 0 HG3 LYS A 421 -3.907 -2.960 6.018 1.00 10.00 H new ATOM 0 HD2 LYS A 421 -3.172 -3.830 4.036 1.00 10.00 H new ATOM 0 HD3 LYS A 421 -1.627 -3.832 4.862 1.00 10.00 H new ATOM 0 HE2 LYS A 421 -1.572 -6.040 4.334 1.00 10.00 H new ATOM 0 HE3 LYS A 421 -2.643 -6.235 5.707 1.00 10.00 H new ATOM 0 HZ1 LYS A 421 -3.453 -7.303 3.653 1.00 10.00 H new ATOM 0 HZ2 LYS A 421 -4.544 -6.157 4.270 1.00 10.00 H new ATOM 0 HZ3 LYS A 421 -3.585 -5.776 2.921 1.00 10.00 H new ATOM 133 N VAL A 422 -0.109 -6.187 6.169 1.00 10.00 N ATOM 134 CA VAL A 422 0.938 -6.483 5.220 1.00 10.00 C ATOM 135 C VAL A 422 1.005 -7.987 5.006 1.00 10.00 C ATOM 136 O VAL A 422 1.137 -8.475 3.886 1.00 10.00 O ATOM 137 CB VAL A 422 2.279 -5.946 5.747 1.00 10.00 C ATOM 138 CG1 VAL A 422 2.915 -6.910 6.742 1.00 10.00 C ATOM 139 CG2 VAL A 422 3.227 -5.637 4.602 1.00 10.00 C ATOM 0 H VAL A 422 -0.626 -7.006 6.487 1.00 10.00 H new ATOM 0 HA VAL A 422 0.726 -6.000 4.266 1.00 10.00 H new ATOM 0 HB VAL A 422 2.076 -5.016 6.278 1.00 10.00 H new ATOM 0 HG11 VAL A 422 3.861 -6.498 7.094 1.00 10.00 H new ATOM 0 HG12 VAL A 422 2.244 -7.053 7.589 1.00 10.00 H new ATOM 0 HG13 VAL A 422 3.095 -7.869 6.256 1.00 10.00 H new ATOM 0 HG21 VAL A 422 4.168 -5.259 5.001 1.00 10.00 H new ATOM 0 HG22 VAL A 422 3.414 -6.545 4.030 1.00 10.00 H new ATOM 0 HG23 VAL A 422 2.780 -4.885 3.952 1.00 10.00 H new ATOM 149 N TYR A 423 0.872 -8.702 6.113 1.00 10.00 N ATOM 150 CA TYR A 423 0.863 -10.158 6.118 1.00 10.00 C ATOM 151 C TYR A 423 -0.144 -10.695 5.097 1.00 10.00 C ATOM 152 O TYR A 423 -0.025 -11.830 4.637 1.00 10.00 O ATOM 153 CB TYR A 423 0.531 -10.693 7.529 1.00 10.00 C ATOM 154 CG TYR A 423 -0.269 -9.743 8.408 1.00 10.00 C ATOM 155 CD1 TYR A 423 -1.104 -8.778 7.860 1.00 10.00 C ATOM 156 CD2 TYR A 423 -0.172 -9.806 9.792 1.00 10.00 C ATOM 157 CE1 TYR A 423 -1.807 -7.908 8.651 1.00 10.00 C ATOM 158 CE2 TYR A 423 -0.881 -8.936 10.597 1.00 10.00 C ATOM 159 CZ TYR A 423 -1.695 -7.985 10.021 1.00 10.00 C ATOM 160 OH TYR A 423 -2.405 -7.118 10.818 1.00 10.00 O ATOM 0 H TYR A 423 0.767 -8.287 7.039 1.00 10.00 H new ATOM 0 HA TYR A 423 1.858 -10.506 5.839 1.00 10.00 H new ATOM 0 HB2 TYR A 423 -0.026 -11.624 7.426 1.00 10.00 H new ATOM 0 HB3 TYR A 423 1.464 -10.935 8.038 1.00 10.00 H new ATOM 0 HD1 TYR A 423 -1.201 -8.712 6.786 1.00 10.00 H new ATOM 0 HD2 TYR A 423 0.468 -10.548 10.246 1.00 10.00 H new ATOM 0 HE1 TYR A 423 -2.447 -7.164 8.201 1.00 10.00 H new ATOM 0 HE2 TYR A 423 -0.798 -9.001 11.672 1.00 10.00 H new ATOM 0 HH TYR A 423 -2.200 -6.195 10.561 1.00 10.00 H new ATOM 170 N LYS A 424 -1.130 -9.868 4.733 1.00 10.00 N ATOM 171 CA LYS A 424 -2.138 -10.269 3.757 1.00 10.00 C ATOM 172 C LYS A 424 -1.976 -9.482 2.456 1.00 10.00 C ATOM 173 O LYS A 424 -2.846 -9.516 1.586 1.00 10.00 O ATOM 174 CB LYS A 424 -3.537 -10.045 4.323 1.00 10.00 C ATOM 175 CG LYS A 424 -4.018 -11.174 5.222 1.00 10.00 C ATOM 176 CD LYS A 424 -5.516 -11.396 5.084 1.00 10.00 C ATOM 177 CE LYS A 424 -5.851 -12.158 3.811 1.00 10.00 C ATOM 178 NZ LYS A 424 -7.272 -12.601 3.788 1.00 10.00 N ATOM 0 H LYS A 424 -1.248 -8.923 5.099 1.00 10.00 H new ATOM 0 HA LYS A 424 -2.002 -11.329 3.543 1.00 10.00 H new ATOM 0 HB2 LYS A 424 -3.546 -9.113 4.888 1.00 10.00 H new ATOM 0 HB3 LYS A 424 -4.239 -9.925 3.498 1.00 10.00 H new ATOM 0 HG2 LYS A 424 -3.488 -12.092 4.970 1.00 10.00 H new ATOM 0 HG3 LYS A 424 -3.777 -10.942 6.260 1.00 10.00 H new ATOM 0 HD2 LYS A 424 -5.884 -11.949 5.948 1.00 10.00 H new ATOM 0 HD3 LYS A 424 -6.029 -10.434 5.079 1.00 10.00 H new ATOM 0 HE2 LYS A 424 -5.654 -11.525 2.946 1.00 10.00 H new ATOM 0 HE3 LYS A 424 -5.198 -13.027 3.725 1.00 10.00 H new ATOM 0 HZ1 LYS A 424 -7.461 -13.116 2.905 1.00 10.00 H new ATOM 0 HZ2 LYS A 424 -7.454 -13.226 4.599 1.00 10.00 H new ATOM 0 HZ3 LYS A 424 -7.895 -11.771 3.844 1.00 10.00 H new ATOM 192 N ASP A 425 -0.860 -8.768 2.338 1.00 10.00 N ATOM 193 CA ASP A 425 -0.581 -7.963 1.156 1.00 10.00 C ATOM 194 C ASP A 425 0.572 -8.540 0.336 1.00 10.00 C ATOM 195 O ASP A 425 0.831 -8.088 -0.777 1.00 10.00 O ATOM 196 CB ASP A 425 -0.248 -6.527 1.561 1.00 10.00 C ATOM 197 CG ASP A 425 -1.484 -5.712 1.873 1.00 10.00 C ATOM 198 OD1 ASP A 425 -2.588 -6.128 1.463 1.00 10.00 O ATOM 199 OD2 ASP A 425 -1.348 -4.655 2.523 1.00 10.00 O ATOM 0 H ASP A 425 -0.132 -8.732 3.051 1.00 10.00 H new ATOM 0 HA ASP A 425 -1.478 -7.974 0.536 1.00 10.00 H new ATOM 0 HB2 ASP A 425 0.404 -6.541 2.434 1.00 10.00 H new ATOM 0 HB3 ASP A 425 0.307 -6.045 0.756 1.00 10.00 H new ATOM 204 N ARG A 426 1.267 -9.536 0.881 1.00 10.00 N ATOM 205 CA ARG A 426 2.388 -10.155 0.175 1.00 10.00 C ATOM 206 C ARG A 426 1.996 -10.532 -1.251 1.00 10.00 C ATOM 207 O ARG A 426 2.845 -10.619 -2.138 1.00 10.00 O ATOM 208 CB ARG A 426 2.878 -11.392 0.931 1.00 10.00 C ATOM 209 CG ARG A 426 4.296 -11.803 0.571 1.00 10.00 C ATOM 210 CD ARG A 426 4.866 -12.781 1.586 1.00 10.00 C ATOM 211 NE ARG A 426 5.758 -13.757 0.965 1.00 10.00 N ATOM 212 CZ ARG A 426 6.119 -14.902 1.541 1.00 10.00 C ATOM 213 NH1 ARG A 426 5.668 -15.218 2.748 1.00 10.00 N ATOM 214 NH2 ARG A 426 6.934 -15.734 0.906 1.00 10.00 N ATOM 0 H ARG A 426 1.076 -9.930 1.802 1.00 10.00 H new ATOM 0 HA ARG A 426 3.198 -9.427 0.126 1.00 10.00 H new ATOM 0 HB2 ARG A 426 2.826 -11.197 2.002 1.00 10.00 H new ATOM 0 HB3 ARG A 426 2.204 -12.224 0.725 1.00 10.00 H new ATOM 0 HG2 ARG A 426 4.304 -12.259 -0.419 1.00 10.00 H new ATOM 0 HG3 ARG A 426 4.931 -10.918 0.520 1.00 10.00 H new ATOM 0 HD2 ARG A 426 5.409 -12.231 2.354 1.00 10.00 H new ATOM 0 HD3 ARG A 426 4.049 -13.302 2.085 1.00 10.00 H new ATOM 0 HE ARG A 426 6.126 -13.549 0.036 1.00 10.00 H new ATOM 0 HH11 ARG A 426 5.041 -14.582 3.241 1.00 10.00 H new ATOM 0 HH12 ARG A 426 5.949 -16.097 3.183 1.00 10.00 H new ATOM 0 HH21 ARG A 426 7.283 -15.496 -0.022 1.00 10.00 H new ATOM 0 HH22 ARG A 426 7.211 -16.611 1.346 1.00 10.00 H new ATOM 228 N GLN A 427 0.702 -10.737 -1.465 1.00 10.00 N ATOM 229 CA GLN A 427 0.187 -11.083 -2.783 1.00 10.00 C ATOM 230 C GLN A 427 -0.468 -9.863 -3.415 1.00 10.00 C ATOM 231 O GLN A 427 -1.432 -9.974 -4.173 1.00 10.00 O ATOM 232 CB GLN A 427 -0.811 -12.246 -2.689 1.00 10.00 C ATOM 233 CG GLN A 427 -1.580 -12.302 -1.374 1.00 10.00 C ATOM 234 CD GLN A 427 -0.747 -12.852 -0.227 1.00 10.00 C ATOM 235 OE1 GLN A 427 -0.699 -12.111 0.879 1.00 10.00 O flip ATOM 236 NE2 GLN A 427 -0.156 -13.926 -0.333 1.00 10.00 N flip ATOM 0 H GLN A 427 -0.012 -10.669 -0.739 1.00 10.00 H new ATOM 0 HA GLN A 427 1.017 -11.405 -3.412 1.00 10.00 H new ATOM 0 HB2 GLN A 427 -1.523 -12.167 -3.511 1.00 10.00 H new ATOM 0 HB3 GLN A 427 -0.273 -13.184 -2.823 1.00 10.00 H new ATOM 0 HG2 GLN A 427 -1.926 -11.301 -1.118 1.00 10.00 H new ATOM 0 HG3 GLN A 427 -2.467 -12.923 -1.503 1.00 10.00 H new ATOM 0 HE21 GLN A 427 -0.221 -14.460 -1.199 1.00 10.00 H new ATOM 0 HE22 GLN A 427 0.399 -14.282 0.445 1.00 10.00 H new ATOM 245 N VAL A 428 0.080 -8.699 -3.090 1.00 10.00 N ATOM 246 CA VAL A 428 -0.416 -7.431 -3.606 1.00 10.00 C ATOM 247 C VAL A 428 0.657 -6.736 -4.426 1.00 10.00 C ATOM 248 O VAL A 428 0.355 -6.053 -5.405 1.00 10.00 O ATOM 249 CB VAL A 428 -0.870 -6.500 -2.468 1.00 10.00 C ATOM 250 CG1 VAL A 428 -1.258 -5.128 -3.003 1.00 10.00 C ATOM 251 CG2 VAL A 428 -2.024 -7.129 -1.706 1.00 10.00 C ATOM 0 H VAL A 428 0.879 -8.608 -2.463 1.00 10.00 H new ATOM 0 HA VAL A 428 -1.276 -7.650 -4.239 1.00 10.00 H new ATOM 0 HB VAL A 428 -0.034 -6.363 -1.783 1.00 10.00 H new ATOM 0 HG11 VAL A 428 -1.575 -4.491 -2.177 1.00 10.00 H new ATOM 0 HG12 VAL A 428 -0.400 -4.676 -3.501 1.00 10.00 H new ATOM 0 HG13 VAL A 428 -2.077 -5.233 -3.714 1.00 10.00 H new ATOM 0 HG21 VAL A 428 -2.337 -6.461 -0.903 1.00 10.00 H new ATOM 0 HG22 VAL A 428 -2.860 -7.297 -2.385 1.00 10.00 H new ATOM 0 HG23 VAL A 428 -1.704 -8.081 -1.282 1.00 10.00 H new ATOM 261 N MET A 429 1.916 -6.925 -4.038 1.00 10.00 N ATOM 262 CA MET A 429 3.030 -6.324 -4.766 1.00 10.00 C ATOM 263 C MET A 429 2.855 -6.536 -6.270 1.00 10.00 C ATOM 264 O MET A 429 3.350 -5.755 -7.082 1.00 10.00 O ATOM 265 CB MET A 429 4.357 -6.926 -4.302 1.00 10.00 C ATOM 266 CG MET A 429 5.514 -5.940 -4.331 1.00 10.00 C ATOM 267 SD MET A 429 7.112 -6.751 -4.536 1.00 10.00 S ATOM 268 CE MET A 429 7.219 -7.677 -3.007 1.00 10.00 C ATOM 0 H MET A 429 2.189 -7.485 -3.230 1.00 10.00 H new ATOM 0 HA MET A 429 3.041 -5.254 -4.560 1.00 10.00 H new ATOM 0 HB2 MET A 429 4.239 -7.306 -3.287 1.00 10.00 H new ATOM 0 HB3 MET A 429 4.601 -7.779 -4.935 1.00 10.00 H new ATOM 0 HG2 MET A 429 5.363 -5.232 -5.146 1.00 10.00 H new ATOM 0 HG3 MET A 429 5.519 -5.364 -3.406 1.00 10.00 H new ATOM 0 HE1 MET A 429 8.172 -8.205 -2.968 1.00 10.00 H new ATOM 0 HE2 MET A 429 7.148 -6.993 -2.162 1.00 10.00 H new ATOM 0 HE3 MET A 429 6.402 -8.397 -2.960 1.00 10.00 H new ATOM 278 N ASN A 430 2.134 -7.599 -6.625 1.00 10.00 N ATOM 279 CA ASN A 430 1.874 -7.925 -8.019 1.00 10.00 C ATOM 280 C ASN A 430 0.375 -8.102 -8.268 1.00 10.00 C ATOM 281 O ASN A 430 -0.027 -8.783 -9.210 1.00 10.00 O ATOM 282 CB ASN A 430 2.617 -9.206 -8.400 1.00 10.00 C ATOM 283 CG ASN A 430 4.056 -8.942 -8.799 1.00 10.00 C ATOM 284 OD1 ASN A 430 4.380 -8.867 -9.984 1.00 10.00 O ATOM 285 ND2 ASN A 430 4.929 -8.803 -7.807 1.00 10.00 N ATOM 0 H ASN A 430 1.719 -8.250 -5.959 1.00 10.00 H new ATOM 0 HA ASN A 430 2.230 -7.100 -8.636 1.00 10.00 H new ATOM 0 HB2 ASN A 430 2.597 -9.898 -7.558 1.00 10.00 H new ATOM 0 HB3 ASN A 430 2.097 -9.693 -9.225 1.00 10.00 H new ATOM 0 HD21 ASN A 430 5.912 -8.626 -8.014 1.00 10.00 H new ATOM 0 HD22 ASN A 430 4.616 -8.873 -6.839 1.00 10.00 H new ATOM 292 N MET A 431 -0.445 -7.483 -7.419 1.00 10.00 N ATOM 293 CA MET A 431 -1.899 -7.572 -7.550 1.00 10.00 C ATOM 294 C MET A 431 -2.607 -6.964 -6.345 1.00 10.00 C ATOM 295 O MET A 431 -2.995 -7.676 -5.419 1.00 10.00 O ATOM 296 CB MET A 431 -2.345 -9.025 -7.703 1.00 10.00 C ATOM 297 CG MET A 431 -2.682 -9.415 -9.133 1.00 10.00 C ATOM 298 SD MET A 431 -4.453 -9.368 -9.466 1.00 10.00 S ATOM 299 CE MET A 431 -4.459 -8.934 -11.205 1.00 10.00 C ATOM 0 H MET A 431 -0.127 -6.915 -6.634 1.00 10.00 H new ATOM 0 HA MET A 431 -2.171 -7.009 -8.443 1.00 10.00 H new ATOM 0 HB2 MET A 431 -1.555 -9.679 -7.334 1.00 10.00 H new ATOM 0 HB3 MET A 431 -3.219 -9.195 -7.074 1.00 10.00 H new ATOM 0 HG2 MET A 431 -2.169 -8.742 -9.820 1.00 10.00 H new ATOM 0 HG3 MET A 431 -2.306 -10.419 -9.330 1.00 10.00 H new ATOM 0 HE1 MET A 431 -5.487 -8.866 -11.560 1.00 10.00 H new ATOM 0 HE2 MET A 431 -3.964 -7.972 -11.342 1.00 10.00 H new ATOM 0 HE3 MET A 431 -3.929 -9.699 -11.773 1.00 10.00 H new ATOM 309 N TRP A 432 -2.813 -5.658 -6.381 1.00 10.00 N ATOM 310 CA TRP A 432 -3.517 -4.976 -5.304 1.00 10.00 C ATOM 311 C TRP A 432 -5.008 -5.061 -5.567 1.00 10.00 C ATOM 312 O TRP A 432 -5.555 -4.340 -6.402 1.00 10.00 O ATOM 313 CB TRP A 432 -3.075 -3.516 -5.176 1.00 10.00 C ATOM 314 CG TRP A 432 -1.638 -3.243 -5.535 1.00 10.00 C ATOM 315 CD1 TRP A 432 -1.032 -3.463 -6.735 1.00 10.00 C ATOM 316 CD2 TRP A 432 -0.629 -2.671 -4.684 1.00 10.00 C ATOM 317 NE1 TRP A 432 0.268 -3.036 -6.694 1.00 10.00 N ATOM 318 CE2 TRP A 432 0.543 -2.555 -5.449 1.00 10.00 C ATOM 319 CE3 TRP A 432 -0.602 -2.237 -3.358 1.00 10.00 C ATOM 320 CZ2 TRP A 432 1.721 -2.020 -4.939 1.00 10.00 C ATOM 321 CZ3 TRP A 432 0.570 -1.714 -2.846 1.00 10.00 C ATOM 322 CH2 TRP A 432 1.717 -1.605 -3.638 1.00 10.00 C ATOM 0 H TRP A 432 -2.505 -5.050 -7.140 1.00 10.00 H new ATOM 0 HA TRP A 432 -3.277 -5.465 -4.360 1.00 10.00 H new ATOM 0 HB2 TRP A 432 -3.714 -2.903 -5.812 1.00 10.00 H new ATOM 0 HB3 TRP A 432 -3.243 -3.192 -4.149 1.00 10.00 H new ATOM 0 HD1 TRP A 432 -1.509 -3.910 -7.595 1.00 10.00 H new ATOM 0 HE1 TRP A 432 0.927 -3.072 -7.472 1.00 10.00 H new ATOM 0 HE3 TRP A 432 -1.485 -2.309 -2.740 1.00 10.00 H new ATOM 0 HZ2 TRP A 432 2.607 -1.936 -5.550 1.00 10.00 H new ATOM 0 HZ3 TRP A 432 0.601 -1.384 -1.818 1.00 10.00 H new ATOM 0 HH2 TRP A 432 2.617 -1.185 -3.213 1.00 10.00 H new ATOM 333 N SER A 433 -5.648 -5.978 -4.863 1.00 10.00 N ATOM 334 CA SER A 433 -7.078 -6.216 -5.016 1.00 10.00 C ATOM 335 C SER A 433 -7.885 -4.945 -4.794 1.00 10.00 C ATOM 336 O SER A 433 -7.498 -4.079 -4.010 1.00 10.00 O ATOM 337 CB SER A 433 -7.540 -7.305 -4.045 1.00 10.00 C ATOM 338 OG SER A 433 -8.314 -8.287 -4.712 1.00 10.00 O ATOM 0 H SER A 433 -5.197 -6.577 -4.172 1.00 10.00 H new ATOM 0 HA SER A 433 -7.250 -6.548 -6.040 1.00 10.00 H new ATOM 0 HB2 SER A 433 -6.673 -7.774 -3.581 1.00 10.00 H new ATOM 0 HB3 SER A 433 -8.127 -6.857 -3.244 1.00 10.00 H new ATOM 0 HG SER A 433 -8.596 -8.972 -4.071 1.00 10.00 H new ATOM 344 N GLU A 434 -9.023 -4.848 -5.479 1.00 10.00 N ATOM 345 CA GLU A 434 -9.898 -3.690 -5.342 1.00 10.00 C ATOM 346 C GLU A 434 -10.198 -3.427 -3.871 1.00 10.00 C ATOM 347 O GLU A 434 -10.480 -2.297 -3.474 1.00 10.00 O ATOM 348 CB GLU A 434 -11.202 -3.912 -6.111 1.00 10.00 C ATOM 349 CG GLU A 434 -10.992 -4.297 -7.566 1.00 10.00 C ATOM 350 CD GLU A 434 -12.245 -4.123 -8.402 1.00 10.00 C ATOM 351 OE1 GLU A 434 -12.612 -2.964 -8.688 1.00 10.00 O ATOM 352 OE2 GLU A 434 -12.861 -5.146 -8.769 1.00 10.00 O ATOM 0 H GLU A 434 -9.358 -5.556 -6.132 1.00 10.00 H new ATOM 0 HA GLU A 434 -9.389 -2.821 -5.760 1.00 10.00 H new ATOM 0 HB2 GLU A 434 -11.777 -4.695 -5.616 1.00 10.00 H new ATOM 0 HB3 GLU A 434 -11.799 -3.001 -6.067 1.00 10.00 H new ATOM 0 HG2 GLU A 434 -10.191 -3.689 -7.987 1.00 10.00 H new ATOM 0 HG3 GLU A 434 -10.665 -5.335 -7.620 1.00 10.00 H new ATOM 359 N GLN A 435 -10.116 -4.482 -3.065 1.00 10.00 N ATOM 360 CA GLN A 435 -10.356 -4.379 -1.639 1.00 10.00 C ATOM 361 C GLN A 435 -9.041 -4.120 -0.911 1.00 10.00 C ATOM 362 O GLN A 435 -9.017 -3.466 0.131 1.00 10.00 O ATOM 363 CB GLN A 435 -11.013 -5.664 -1.129 1.00 10.00 C ATOM 364 CG GLN A 435 -11.239 -5.693 0.377 1.00 10.00 C ATOM 365 CD GLN A 435 -9.953 -5.871 1.161 1.00 10.00 C ATOM 366 OE1 GLN A 435 -9.045 -6.686 0.637 1.00 10.00 O flip ATOM 367 NE2 GLN A 435 -9.778 -5.282 2.228 1.00 10.00 N flip ATOM 0 H GLN A 435 -9.883 -5.422 -3.384 1.00 10.00 H new ATOM 0 HA GLN A 435 -11.030 -3.545 -1.444 1.00 10.00 H new ATOM 0 HB2 GLN A 435 -11.971 -5.793 -1.632 1.00 10.00 H new ATOM 0 HB3 GLN A 435 -10.390 -6.513 -1.408 1.00 10.00 H new ATOM 0 HG2 GLN A 435 -11.722 -4.766 0.685 1.00 10.00 H new ATOM 0 HG3 GLN A 435 -11.924 -6.505 0.621 1.00 10.00 H new ATOM 0 HE21 GLN A 435 -10.502 -4.665 2.595 1.00 10.00 H new ATOM 0 HE22 GLN A 435 -8.909 -5.411 2.745 1.00 10.00 H new ATOM 376 N GLU A 436 -7.944 -4.625 -1.477 1.00 10.00 N ATOM 377 CA GLU A 436 -6.633 -4.431 -0.895 1.00 10.00 C ATOM 378 C GLU A 436 -6.216 -2.980 -1.066 1.00 10.00 C ATOM 379 O GLU A 436 -5.770 -2.335 -0.117 1.00 10.00 O ATOM 380 CB GLU A 436 -5.642 -5.395 -1.551 1.00 10.00 C ATOM 381 CG GLU A 436 -4.916 -6.296 -0.562 1.00 10.00 C ATOM 382 CD GLU A 436 -5.856 -6.974 0.415 1.00 10.00 C ATOM 383 OE1 GLU A 436 -6.619 -7.864 -0.016 1.00 10.00 O ATOM 384 OE2 GLU A 436 -5.828 -6.616 1.611 1.00 10.00 O ATOM 0 H GLU A 436 -7.947 -5.171 -2.339 1.00 10.00 H new ATOM 0 HA GLU A 436 -6.651 -4.647 0.173 1.00 10.00 H new ATOM 0 HB2 GLU A 436 -6.176 -6.016 -2.270 1.00 10.00 H new ATOM 0 HB3 GLU A 436 -4.906 -4.819 -2.112 1.00 10.00 H new ATOM 0 HG2 GLU A 436 -4.360 -7.056 -1.111 1.00 10.00 H new ATOM 0 HG3 GLU A 436 -4.187 -5.706 -0.007 1.00 10.00 H new ATOM 391 N LYS A 437 -6.421 -2.452 -2.268 1.00 10.00 N ATOM 392 CA LYS A 437 -6.125 -1.050 -2.550 1.00 10.00 C ATOM 393 C LYS A 437 -6.872 -0.167 -1.563 1.00 10.00 C ATOM 394 O LYS A 437 -6.534 0.993 -1.367 1.00 10.00 O ATOM 395 CB LYS A 437 -6.544 -0.706 -3.982 1.00 10.00 C ATOM 396 CG LYS A 437 -5.763 0.449 -4.585 1.00 10.00 C ATOM 397 CD LYS A 437 -6.684 1.569 -5.046 1.00 10.00 C ATOM 398 CE LYS A 437 -7.670 1.085 -6.096 1.00 10.00 C ATOM 399 NZ LYS A 437 -8.985 1.776 -5.983 1.00 10.00 N ATOM 0 H LYS A 437 -6.791 -2.973 -3.063 1.00 10.00 H new ATOM 0 HA LYS A 437 -5.053 -0.879 -2.447 1.00 10.00 H new ATOM 0 HB2 LYS A 437 -6.416 -1.587 -4.610 1.00 10.00 H new ATOM 0 HB3 LYS A 437 -7.606 -0.460 -3.991 1.00 10.00 H new ATOM 0 HG2 LYS A 437 -5.059 0.836 -3.849 1.00 10.00 H new ATOM 0 HG3 LYS A 437 -5.175 0.090 -5.430 1.00 10.00 H new ATOM 0 HD2 LYS A 437 -7.229 1.968 -4.191 1.00 10.00 H new ATOM 0 HD3 LYS A 437 -6.089 2.386 -5.454 1.00 10.00 H new ATOM 0 HE2 LYS A 437 -7.255 1.255 -7.089 1.00 10.00 H new ATOM 0 HE3 LYS A 437 -7.814 0.010 -5.990 1.00 10.00 H new ATOM 0 HZ1 LYS A 437 -9.629 1.418 -6.717 1.00 10.00 H new ATOM 0 HZ2 LYS A 437 -9.393 1.594 -5.044 1.00 10.00 H new ATOM 0 HZ3 LYS A 437 -8.851 2.800 -6.109 1.00 10.00 H new ATOM 413 N GLU A 438 -7.889 -0.741 -0.934 1.00 10.00 N ATOM 414 CA GLU A 438 -8.689 -0.023 0.041 1.00 10.00 C ATOM 415 C GLU A 438 -7.855 0.383 1.247 1.00 10.00 C ATOM 416 O GLU A 438 -8.173 1.355 1.924 1.00 10.00 O ATOM 417 CB GLU A 438 -9.861 -0.888 0.496 1.00 10.00 C ATOM 418 CG GLU A 438 -11.095 -0.091 0.883 1.00 10.00 C ATOM 419 CD GLU A 438 -11.914 -0.773 1.962 1.00 10.00 C ATOM 420 OE1 GLU A 438 -11.312 -1.310 2.915 1.00 10.00 O ATOM 421 OE2 GLU A 438 -13.159 -0.769 1.853 1.00 10.00 O ATOM 0 H GLU A 438 -8.178 -1.707 -1.085 1.00 10.00 H new ATOM 0 HA GLU A 438 -9.066 0.882 -0.436 1.00 10.00 H new ATOM 0 HB2 GLU A 438 -10.123 -1.580 -0.305 1.00 10.00 H new ATOM 0 HB3 GLU A 438 -9.547 -1.491 1.348 1.00 10.00 H new ATOM 0 HG2 GLU A 438 -10.791 0.896 1.232 1.00 10.00 H new ATOM 0 HG3 GLU A 438 -11.717 0.060 0.001 1.00 10.00 H new ATOM 428 N THR A 439 -6.799 -0.370 1.524 1.00 10.00 N ATOM 429 CA THR A 439 -5.945 -0.069 2.666 1.00 10.00 C ATOM 430 C THR A 439 -4.829 0.903 2.290 1.00 10.00 C ATOM 431 O THR A 439 -4.627 1.916 2.959 1.00 10.00 O ATOM 432 CB THR A 439 -5.366 -1.363 3.244 1.00 10.00 C ATOM 433 OG1 THR A 439 -6.403 -2.204 3.715 1.00 10.00 O ATOM 434 CG2 THR A 439 -4.402 -1.141 4.392 1.00 10.00 C ATOM 0 H THR A 439 -6.515 -1.185 0.981 1.00 10.00 H new ATOM 0 HA THR A 439 -6.556 0.416 3.428 1.00 10.00 H new ATOM 0 HB THR A 439 -4.818 -1.822 2.421 1.00 10.00 H new ATOM 0 HG1 THR A 439 -6.016 -3.027 4.080 1.00 10.00 H new ATOM 0 HG21 THR A 439 -4.034 -2.103 4.749 1.00 10.00 H new ATOM 0 HG22 THR A 439 -3.563 -0.535 4.050 1.00 10.00 H new ATOM 0 HG23 THR A 439 -4.915 -0.625 5.204 1.00 10.00 H new ATOM 442 N PHE A 440 -4.108 0.593 1.223 1.00 10.00 N ATOM 443 CA PHE A 440 -3.016 1.440 0.766 1.00 10.00 C ATOM 444 C PHE A 440 -3.554 2.706 0.113 1.00 10.00 C ATOM 445 O PHE A 440 -2.954 3.775 0.229 1.00 10.00 O ATOM 446 CB PHE A 440 -2.128 0.683 -0.227 1.00 10.00 C ATOM 447 CG PHE A 440 -2.548 -0.723 -0.465 1.00 10.00 C ATOM 448 CD1 PHE A 440 -2.391 -1.700 0.500 1.00 10.00 C ATOM 449 CD2 PHE A 440 -3.117 -1.059 -1.665 1.00 10.00 C ATOM 450 CE1 PHE A 440 -2.799 -2.990 0.253 1.00 10.00 C ATOM 451 CE2 PHE A 440 -3.526 -2.338 -1.918 1.00 10.00 C ATOM 452 CZ PHE A 440 -3.368 -3.300 -0.962 1.00 10.00 C ATOM 0 H PHE A 440 -4.260 -0.241 0.656 1.00 10.00 H new ATOM 0 HA PHE A 440 -2.419 1.718 1.635 1.00 10.00 H new ATOM 0 HB2 PHE A 440 -2.127 1.217 -1.177 1.00 10.00 H new ATOM 0 HB3 PHE A 440 -1.102 0.687 0.142 1.00 10.00 H new ATOM 0 HD1 PHE A 440 -1.946 -1.449 1.452 1.00 10.00 H new ATOM 0 HD2 PHE A 440 -3.244 -0.301 -2.423 1.00 10.00 H new ATOM 0 HE1 PHE A 440 -2.674 -3.754 1.006 1.00 10.00 H new ATOM 0 HE2 PHE A 440 -3.972 -2.587 -2.870 1.00 10.00 H new ATOM 0 HZ PHE A 440 -3.692 -4.311 -1.160 1.00 10.00 H new ATOM 462 N ARG A 441 -4.687 2.586 -0.576 1.00 10.00 N ATOM 463 CA ARG A 441 -5.283 3.737 -1.238 1.00 10.00 C ATOM 464 C ARG A 441 -6.023 4.618 -0.234 1.00 10.00 C ATOM 465 O ARG A 441 -6.213 5.811 -0.470 1.00 10.00 O ATOM 466 CB ARG A 441 -6.240 3.306 -2.351 1.00 10.00 C ATOM 467 CG ARG A 441 -6.506 4.396 -3.376 1.00 10.00 C ATOM 468 CD ARG A 441 -7.810 5.125 -3.089 1.00 10.00 C ATOM 469 NE ARG A 441 -8.390 5.705 -4.298 1.00 10.00 N ATOM 470 CZ ARG A 441 -7.912 6.791 -4.902 1.00 10.00 C ATOM 471 NH1 ARG A 441 -6.847 7.417 -4.414 1.00 10.00 N ATOM 472 NH2 ARG A 441 -8.498 7.251 -5.998 1.00 10.00 N ATOM 0 H ARG A 441 -5.203 1.713 -0.688 1.00 10.00 H new ATOM 0 HA ARG A 441 -4.471 4.311 -1.684 1.00 10.00 H new ATOM 0 HB2 ARG A 441 -5.826 2.434 -2.858 1.00 10.00 H new ATOM 0 HB3 ARG A 441 -7.186 2.997 -1.907 1.00 10.00 H new ATOM 0 HG2 ARG A 441 -5.681 5.109 -3.373 1.00 10.00 H new ATOM 0 HG3 ARG A 441 -6.545 3.958 -4.373 1.00 10.00 H new ATOM 0 HD2 ARG A 441 -8.522 4.432 -2.642 1.00 10.00 H new ATOM 0 HD3 ARG A 441 -7.631 5.914 -2.358 1.00 10.00 H new ATOM 0 HE ARG A 441 -9.209 5.251 -4.703 1.00 10.00 H new ATOM 0 HH11 ARG A 441 -6.391 7.066 -3.572 1.00 10.00 H new ATOM 0 HH12 ARG A 441 -6.486 8.248 -4.881 1.00 10.00 H new ATOM 0 HH21 ARG A 441 -9.315 6.773 -6.378 1.00 10.00 H new ATOM 0 HH22 ARG A 441 -8.132 8.083 -6.461 1.00 10.00 H new ATOM 486 N GLU A 442 -6.441 4.028 0.889 1.00 10.00 N ATOM 487 CA GLU A 442 -7.157 4.783 1.912 1.00 10.00 C ATOM 488 C GLU A 442 -6.183 5.539 2.803 1.00 10.00 C ATOM 489 O GLU A 442 -6.459 6.663 3.222 1.00 10.00 O ATOM 490 CB GLU A 442 -8.032 3.858 2.759 1.00 10.00 C ATOM 491 CG GLU A 442 -8.716 4.557 3.924 1.00 10.00 C ATOM 492 CD GLU A 442 -10.132 4.067 4.149 1.00 10.00 C ATOM 493 OE1 GLU A 442 -10.941 4.129 3.199 1.00 10.00 O ATOM 494 OE2 GLU A 442 -10.433 3.620 5.276 1.00 10.00 O ATOM 0 H GLU A 442 -6.297 3.042 1.108 1.00 10.00 H new ATOM 0 HA GLU A 442 -7.801 5.503 1.407 1.00 10.00 H new ATOM 0 HB2 GLU A 442 -8.792 3.407 2.121 1.00 10.00 H new ATOM 0 HB3 GLU A 442 -7.417 3.045 3.145 1.00 10.00 H new ATOM 0 HG2 GLU A 442 -8.132 4.399 4.831 1.00 10.00 H new ATOM 0 HG3 GLU A 442 -8.732 5.631 3.739 1.00 10.00 H new ATOM 501 N LYS A 443 -5.040 4.927 3.084 1.00 10.00 N ATOM 502 CA LYS A 443 -4.036 5.562 3.917 1.00 10.00 C ATOM 503 C LYS A 443 -3.337 6.662 3.136 1.00 10.00 C ATOM 504 O LYS A 443 -3.113 7.753 3.649 1.00 10.00 O ATOM 505 CB LYS A 443 -3.017 4.536 4.416 1.00 10.00 C ATOM 506 CG LYS A 443 -3.394 3.905 5.748 1.00 10.00 C ATOM 507 CD LYS A 443 -4.016 2.530 5.559 1.00 10.00 C ATOM 508 CE LYS A 443 -4.072 1.760 6.868 1.00 10.00 C ATOM 509 NZ LYS A 443 -5.300 0.925 6.970 1.00 10.00 N ATOM 0 H LYS A 443 -4.789 3.997 2.748 1.00 10.00 H new ATOM 0 HA LYS A 443 -4.530 6.000 4.784 1.00 10.00 H new ATOM 0 HB2 LYS A 443 -2.909 3.750 3.668 1.00 10.00 H new ATOM 0 HB3 LYS A 443 -2.045 5.019 4.514 1.00 10.00 H new ATOM 0 HG2 LYS A 443 -2.507 3.821 6.376 1.00 10.00 H new ATOM 0 HG3 LYS A 443 -4.095 4.553 6.273 1.00 10.00 H new ATOM 0 HD2 LYS A 443 -5.023 2.637 5.155 1.00 10.00 H new ATOM 0 HD3 LYS A 443 -3.438 1.965 4.828 1.00 10.00 H new ATOM 0 HE2 LYS A 443 -3.192 1.123 6.952 1.00 10.00 H new ATOM 0 HE3 LYS A 443 -4.039 2.460 7.703 1.00 10.00 H new ATOM 0 HZ1 LYS A 443 -5.895 1.276 7.748 1.00 10.00 H new ATOM 0 HZ2 LYS A 443 -5.831 0.978 6.077 1.00 10.00 H new ATOM 0 HZ3 LYS A 443 -5.034 -0.063 7.157 1.00 10.00 H new ATOM 523 N PHE A 444 -3.018 6.381 1.876 1.00 10.00 N ATOM 524 CA PHE A 444 -2.372 7.365 1.027 1.00 10.00 C ATOM 525 C PHE A 444 -3.321 8.528 0.823 1.00 10.00 C ATOM 526 O PHE A 444 -2.902 9.676 0.676 1.00 10.00 O ATOM 527 CB PHE A 444 -1.951 6.729 -0.298 1.00 10.00 C ATOM 528 CG PHE A 444 -1.144 7.636 -1.183 1.00 10.00 C ATOM 529 CD1 PHE A 444 -1.698 8.792 -1.710 1.00 10.00 C ATOM 530 CD2 PHE A 444 0.173 7.330 -1.488 1.00 10.00 C ATOM 531 CE1 PHE A 444 -0.955 9.625 -2.524 1.00 10.00 C ATOM 532 CE2 PHE A 444 0.922 8.159 -2.301 1.00 10.00 C ATOM 533 CZ PHE A 444 0.357 9.309 -2.819 1.00 10.00 C ATOM 0 H PHE A 444 -3.197 5.483 1.426 1.00 10.00 H new ATOM 0 HA PHE A 444 -1.464 7.737 1.502 1.00 10.00 H new ATOM 0 HB2 PHE A 444 -1.370 5.831 -0.089 1.00 10.00 H new ATOM 0 HB3 PHE A 444 -2.844 6.413 -0.837 1.00 10.00 H new ATOM 0 HD1 PHE A 444 -2.723 9.045 -1.482 1.00 10.00 H new ATOM 0 HD2 PHE A 444 0.619 6.433 -1.085 1.00 10.00 H new ATOM 0 HE1 PHE A 444 -1.399 10.522 -2.929 1.00 10.00 H new ATOM 0 HE2 PHE A 444 1.947 7.909 -2.531 1.00 10.00 H new ATOM 0 HZ PHE A 444 0.940 9.960 -3.454 1.00 10.00 H new ATOM 543 N MET A 445 -4.613 8.225 0.883 1.00 10.00 N ATOM 544 CA MET A 445 -5.631 9.246 0.778 1.00 10.00 C ATOM 545 C MET A 445 -5.766 9.919 2.140 1.00 10.00 C ATOM 546 O MET A 445 -6.077 11.105 2.244 1.00 10.00 O ATOM 547 CB MET A 445 -6.968 8.643 0.340 1.00 10.00 C ATOM 548 CG MET A 445 -8.067 9.675 0.150 1.00 10.00 C ATOM 549 SD MET A 445 -7.931 10.554 -1.419 1.00 10.00 S ATOM 550 CE MET A 445 -9.658 10.850 -1.791 1.00 10.00 C ATOM 0 H MET A 445 -4.973 7.278 1.004 1.00 10.00 H new ATOM 0 HA MET A 445 -5.345 9.978 0.023 1.00 10.00 H new ATOM 0 HB2 MET A 445 -6.824 8.101 -0.595 1.00 10.00 H new ATOM 0 HB3 MET A 445 -7.290 7.914 1.084 1.00 10.00 H new ATOM 0 HG2 MET A 445 -9.037 9.181 0.202 1.00 10.00 H new ATOM 0 HG3 MET A 445 -8.031 10.394 0.969 1.00 10.00 H new ATOM 0 HE1 MET A 445 -9.740 11.387 -2.736 1.00 10.00 H new ATOM 0 HE2 MET A 445 -10.182 9.897 -1.869 1.00 10.00 H new ATOM 0 HE3 MET A 445 -10.105 11.446 -0.995 1.00 10.00 H new ATOM 560 N GLN A 446 -5.491 9.130 3.180 1.00 10.00 N ATOM 561 CA GLN A 446 -5.530 9.594 4.560 1.00 10.00 C ATOM 562 C GLN A 446 -4.370 10.539 4.820 1.00 10.00 C ATOM 563 O GLN A 446 -4.493 11.528 5.541 1.00 10.00 O ATOM 564 CB GLN A 446 -5.408 8.395 5.506 1.00 10.00 C ATOM 565 CG GLN A 446 -5.717 8.728 6.957 1.00 10.00 C ATOM 566 CD GLN A 446 -6.788 7.834 7.547 1.00 10.00 C ATOM 567 OE1 GLN A 446 -7.660 8.292 8.285 1.00 10.00 O ATOM 568 NE2 GLN A 446 -6.730 6.547 7.223 1.00 10.00 N ATOM 0 H GLN A 446 -5.234 8.148 3.084 1.00 10.00 H new ATOM 0 HA GLN A 446 -6.473 10.113 4.732 1.00 10.00 H new ATOM 0 HB2 GLN A 446 -6.084 7.609 5.171 1.00 10.00 H new ATOM 0 HB3 GLN A 446 -4.396 7.994 5.442 1.00 10.00 H new ATOM 0 HG2 GLN A 446 -4.806 8.636 7.549 1.00 10.00 H new ATOM 0 HG3 GLN A 446 -6.038 9.767 7.026 1.00 10.00 H new ATOM 0 HE21 GLN A 446 -5.990 6.209 6.608 1.00 10.00 H new ATOM 0 HE22 GLN A 446 -7.425 5.897 7.589 1.00 10.00 H new ATOM 577 N HIS A 447 -3.235 10.190 4.236 1.00 10.00 N ATOM 578 CA HIS A 447 -2.012 10.952 4.390 1.00 10.00 C ATOM 579 C HIS A 447 -1.672 11.694 3.095 1.00 10.00 C ATOM 580 O HIS A 447 -1.108 11.116 2.166 1.00 10.00 O ATOM 581 CB HIS A 447 -0.889 9.993 4.791 1.00 10.00 C ATOM 582 CG HIS A 447 -1.308 9.040 5.875 1.00 10.00 C ATOM 583 ND1 HIS A 447 -1.607 7.710 5.844 1.00 10.00 N flip ATOM 584 CD2 HIS A 447 -1.503 9.439 7.180 1.00 10.00 C flip ATOM 585 CE1 HIS A 447 -1.976 7.349 7.117 1.00 10.00 C flip ATOM 586 NE2 HIS A 447 -1.903 8.409 7.901 1.00 10.00 N flip ATOM 0 H HIS A 447 -3.138 9.367 3.641 1.00 10.00 H new ATOM 0 HA HIS A 447 -2.138 11.705 5.168 1.00 10.00 H new ATOM 0 HB2 HIS A 447 -0.570 9.426 3.916 1.00 10.00 H new ATOM 0 HB3 HIS A 447 -0.028 10.568 5.130 1.00 10.00 H new ATOM 0 HD1 HIS A 447 -1.565 7.098 5.029 1.00 10.00 H new ATOM 0 HD2 HIS A 447 -1.352 10.441 7.555 1.00 10.00 H new ATOM 0 HE1 HIS A 447 -2.277 6.359 7.426 1.00 10.00 H new ATOM 595 N PRO A 448 -2.035 12.991 3.016 1.00 10.00 N ATOM 596 CA PRO A 448 -1.794 13.823 1.834 1.00 10.00 C ATOM 597 C PRO A 448 -0.441 13.572 1.173 1.00 10.00 C ATOM 598 O PRO A 448 0.570 14.152 1.567 1.00 10.00 O ATOM 599 CB PRO A 448 -1.855 15.236 2.405 1.00 10.00 C ATOM 600 CG PRO A 448 -2.844 15.144 3.516 1.00 10.00 C ATOM 601 CD PRO A 448 -2.729 13.748 4.079 1.00 10.00 C ATOM 0 HA PRO A 448 -2.515 13.618 1.043 1.00 10.00 H new ATOM 0 HB2 PRO A 448 -0.880 15.561 2.767 1.00 10.00 H new ATOM 0 HB3 PRO A 448 -2.171 15.956 1.650 1.00 10.00 H new ATOM 0 HG2 PRO A 448 -2.636 15.890 4.283 1.00 10.00 H new ATOM 0 HG3 PRO A 448 -3.854 15.334 3.153 1.00 10.00 H new ATOM 0 HD2 PRO A 448 -2.163 13.738 5.011 1.00 10.00 H new ATOM 0 HD3 PRO A 448 -3.709 13.323 4.297 1.00 10.00 H new ATOM 609 N LYS A 449 -0.443 12.713 0.153 1.00 10.00 N ATOM 610 CA LYS A 449 0.772 12.383 -0.593 1.00 10.00 C ATOM 611 C LYS A 449 1.969 12.170 0.331 1.00 10.00 C ATOM 612 O LYS A 449 2.611 13.128 0.760 1.00 10.00 O ATOM 613 CB LYS A 449 1.087 13.488 -1.602 1.00 10.00 C ATOM 614 CG LYS A 449 2.078 13.068 -2.675 1.00 10.00 C ATOM 615 CD LYS A 449 3.502 13.441 -2.296 1.00 10.00 C ATOM 616 CE LYS A 449 3.916 14.765 -2.918 1.00 10.00 C ATOM 617 NZ LYS A 449 4.961 15.454 -2.113 1.00 10.00 N ATOM 0 H LYS A 449 -1.279 12.230 -0.177 1.00 10.00 H new ATOM 0 HA LYS A 449 0.587 11.447 -1.120 1.00 10.00 H new ATOM 0 HB2 LYS A 449 0.161 13.807 -2.080 1.00 10.00 H new ATOM 0 HB3 LYS A 449 1.485 14.352 -1.070 1.00 10.00 H new ATOM 0 HG2 LYS A 449 2.012 11.991 -2.831 1.00 10.00 H new ATOM 0 HG3 LYS A 449 1.816 13.544 -3.620 1.00 10.00 H new ATOM 0 HD2 LYS A 449 3.586 13.506 -1.211 1.00 10.00 H new ATOM 0 HD3 LYS A 449 4.184 12.656 -2.622 1.00 10.00 H new ATOM 0 HE2 LYS A 449 4.291 14.591 -3.927 1.00 10.00 H new ATOM 0 HE3 LYS A 449 3.043 15.412 -3.010 1.00 10.00 H new ATOM 0 HZ1 LYS A 449 5.216 16.352 -2.571 1.00 10.00 H new ATOM 0 HZ2 LYS A 449 4.595 15.643 -1.158 1.00 10.00 H new ATOM 0 HZ3 LYS A 449 5.804 14.848 -2.047 1.00 10.00 H new ATOM 631 N ASN A 450 2.271 10.911 0.622 1.00 10.00 N ATOM 632 CA ASN A 450 3.397 10.582 1.487 1.00 10.00 C ATOM 633 C ASN A 450 4.040 9.266 1.073 1.00 10.00 C ATOM 634 O ASN A 450 5.242 9.204 0.812 1.00 10.00 O ATOM 635 CB ASN A 450 2.951 10.509 2.951 1.00 10.00 C ATOM 636 CG ASN A 450 1.742 9.614 3.145 1.00 10.00 C ATOM 637 OD1 ASN A 450 0.838 9.587 2.310 1.00 10.00 O ATOM 638 ND2 ASN A 450 1.721 8.868 4.246 1.00 10.00 N ATOM 0 H ASN A 450 1.754 10.104 0.273 1.00 10.00 H new ATOM 0 HA ASN A 450 4.138 11.375 1.383 1.00 10.00 H new ATOM 0 HB2 ASN A 450 3.775 10.138 3.561 1.00 10.00 H new ATOM 0 HB3 ASN A 450 2.717 11.512 3.307 1.00 10.00 H new ATOM 0 HD21 ASN A 450 0.935 8.243 4.424 1.00 10.00 H new ATOM 0 HD22 ASN A 450 2.491 8.921 4.913 1.00 10.00 H new ATOM 645 N PHE A 451 3.234 8.210 1.028 1.00 10.00 N ATOM 646 CA PHE A 451 3.712 6.881 0.662 1.00 10.00 C ATOM 647 C PHE A 451 4.601 6.291 1.760 1.00 10.00 C ATOM 648 O PHE A 451 4.801 5.077 1.818 1.00 10.00 O ATOM 649 CB PHE A 451 4.476 6.918 -0.671 1.00 10.00 C ATOM 650 CG PHE A 451 3.733 6.312 -1.836 1.00 10.00 C ATOM 651 CD1 PHE A 451 2.744 5.357 -1.643 1.00 10.00 C ATOM 652 CD2 PHE A 451 4.031 6.701 -3.133 1.00 10.00 C ATOM 653 CE1 PHE A 451 2.070 4.809 -2.714 1.00 10.00 C ATOM 654 CE2 PHE A 451 3.360 6.154 -4.209 1.00 10.00 C ATOM 655 CZ PHE A 451 2.378 5.207 -3.999 1.00 10.00 C ATOM 0 H PHE A 451 2.238 8.250 1.243 1.00 10.00 H new ATOM 0 HA PHE A 451 2.838 6.241 0.545 1.00 10.00 H new ATOM 0 HB2 PHE A 451 4.716 7.954 -0.909 1.00 10.00 H new ATOM 0 HB3 PHE A 451 5.423 6.392 -0.547 1.00 10.00 H new ATOM 0 HD1 PHE A 451 2.499 5.039 -0.640 1.00 10.00 H new ATOM 0 HD2 PHE A 451 4.798 7.442 -3.304 1.00 10.00 H new ATOM 0 HE1 PHE A 451 1.301 4.069 -2.547 1.00 10.00 H new ATOM 0 HE2 PHE A 451 3.603 6.467 -5.214 1.00 10.00 H new ATOM 0 HZ PHE A 451 1.852 4.778 -4.839 1.00 10.00 H new ATOM 665 N GLY A 452 5.127 7.148 2.634 1.00 10.00 N ATOM 666 CA GLY A 452 5.972 6.682 3.712 1.00 10.00 C ATOM 667 C GLY A 452 5.195 5.884 4.734 1.00 10.00 C ATOM 668 O GLY A 452 5.605 4.789 5.115 1.00 10.00 O ATOM 0 H GLY A 452 4.980 8.157 2.611 1.00 10.00 H new ATOM 0 HA2 GLY A 452 6.774 6.066 3.304 1.00 10.00 H new ATOM 0 HA3 GLY A 452 6.442 7.536 4.200 1.00 10.00 H new ATOM 672 N LEU A 453 4.064 6.429 5.175 1.00 10.00 N ATOM 673 CA LEU A 453 3.230 5.744 6.151 1.00 10.00 C ATOM 674 C LEU A 453 2.715 4.438 5.579 1.00 10.00 C ATOM 675 O LEU A 453 2.873 3.377 6.182 1.00 10.00 O ATOM 676 CB LEU A 453 2.052 6.612 6.586 1.00 10.00 C ATOM 677 CG LEU A 453 1.073 5.912 7.529 1.00 10.00 C ATOM 678 CD1 LEU A 453 0.495 6.894 8.531 1.00 10.00 C ATOM 679 CD2 LEU A 453 -0.031 5.219 6.737 1.00 10.00 C ATOM 0 H LEU A 453 3.708 7.336 4.873 1.00 10.00 H new ATOM 0 HA LEU A 453 3.847 5.540 7.026 1.00 10.00 H new ATOM 0 HB2 LEU A 453 2.436 7.506 7.077 1.00 10.00 H new ATOM 0 HB3 LEU A 453 1.511 6.943 5.699 1.00 10.00 H new ATOM 0 HG LEU A 453 1.617 5.150 8.086 1.00 10.00 H new ATOM 0 HD11 LEU A 453 -0.199 6.374 9.192 1.00 10.00 H new ATOM 0 HD12 LEU A 453 1.302 7.328 9.121 1.00 10.00 H new ATOM 0 HD13 LEU A 453 -0.034 7.686 8.001 1.00 10.00 H new ATOM 0 HD21 LEU A 453 -0.718 4.726 7.425 1.00 10.00 H new ATOM 0 HD22 LEU A 453 -0.575 5.958 6.148 1.00 10.00 H new ATOM 0 HD23 LEU A 453 0.410 4.477 6.071 1.00 10.00 H new ATOM 691 N ILE A 454 2.108 4.514 4.401 1.00 10.00 N ATOM 692 CA ILE A 454 1.590 3.329 3.747 1.00 10.00 C ATOM 693 C ILE A 454 2.701 2.312 3.580 1.00 10.00 C ATOM 694 O ILE A 454 2.610 1.187 4.067 1.00 10.00 O ATOM 695 CB ILE A 454 0.959 3.685 2.391 1.00 10.00 C ATOM 696 CG1 ILE A 454 -0.401 4.304 2.639 1.00 10.00 C ATOM 697 CG2 ILE A 454 0.848 2.467 1.480 1.00 10.00 C ATOM 698 CD1 ILE A 454 -0.353 5.812 2.616 1.00 10.00 C ATOM 0 H ILE A 454 1.965 5.382 3.885 1.00 10.00 H new ATOM 0 HA ILE A 454 0.808 2.894 4.369 1.00 10.00 H new ATOM 0 HB ILE A 454 1.602 4.399 1.876 1.00 10.00 H new ATOM 0 HG12 ILE A 454 -1.102 3.953 1.882 1.00 10.00 H new ATOM 0 HG13 ILE A 454 -0.780 3.969 3.604 1.00 10.00 H new ATOM 0 HG21 ILE A 454 0.397 2.761 0.532 1.00 10.00 H new ATOM 0 HG22 ILE A 454 1.841 2.057 1.298 1.00 10.00 H new ATOM 0 HG23 ILE A 454 0.226 1.710 1.958 1.00 10.00 H new ATOM 0 HD11 ILE A 454 -1.351 6.211 2.798 1.00 10.00 H new ATOM 0 HD12 ILE A 454 0.327 6.166 3.391 1.00 10.00 H new ATOM 0 HD13 ILE A 454 0.000 6.150 1.642 1.00 10.00 H new ATOM 710 N ALA A 455 3.775 2.740 2.939 1.00 10.00 N ATOM 711 CA ALA A 455 4.940 1.890 2.750 1.00 10.00 C ATOM 712 C ALA A 455 5.509 1.449 4.099 1.00 10.00 C ATOM 713 O ALA A 455 6.406 0.608 4.160 1.00 10.00 O ATOM 714 CB ALA A 455 6.002 2.619 1.940 1.00 10.00 C ATOM 0 H ALA A 455 3.865 3.674 2.539 1.00 10.00 H new ATOM 0 HA ALA A 455 4.631 1.001 2.200 1.00 10.00 H new ATOM 0 HB1 ALA A 455 6.868 1.970 1.807 1.00 10.00 H new ATOM 0 HB2 ALA A 455 5.596 2.886 0.965 1.00 10.00 H new ATOM 0 HB3 ALA A 455 6.305 3.524 2.467 1.00 10.00 H new ATOM 720 N SER A 456 4.980 2.025 5.184 1.00 10.00 N ATOM 721 CA SER A 456 5.436 1.692 6.527 1.00 10.00 C ATOM 722 C SER A 456 4.556 0.617 7.159 1.00 10.00 C ATOM 723 O SER A 456 5.057 -0.280 7.837 1.00 10.00 O ATOM 724 CB SER A 456 5.453 2.941 7.412 1.00 10.00 C ATOM 725 OG SER A 456 6.778 3.381 7.650 1.00 10.00 O ATOM 0 H SER A 456 4.237 2.723 5.153 1.00 10.00 H new ATOM 0 HA SER A 456 6.450 1.300 6.446 1.00 10.00 H new ATOM 0 HB2 SER A 456 4.883 3.737 6.933 1.00 10.00 H new ATOM 0 HB3 SER A 456 4.963 2.724 8.361 1.00 10.00 H new ATOM 0 HG SER A 456 6.760 4.181 8.216 1.00 10.00 H new ATOM 731 N PHE A 457 3.244 0.701 6.936 1.00 10.00 N ATOM 732 CA PHE A 457 2.327 -0.284 7.497 1.00 10.00 C ATOM 733 C PHE A 457 2.306 -1.541 6.624 1.00 10.00 C ATOM 734 O PHE A 457 2.153 -2.654 7.127 1.00 10.00 O ATOM 735 CB PHE A 457 0.921 0.313 7.677 1.00 10.00 C ATOM 736 CG PHE A 457 0.047 0.248 6.458 1.00 10.00 C ATOM 737 CD1 PHE A 457 -0.501 -0.956 6.048 1.00 10.00 C ATOM 738 CD2 PHE A 457 -0.224 1.391 5.719 1.00 10.00 C ATOM 739 CE1 PHE A 457 -1.299 -1.022 4.928 1.00 10.00 C ATOM 740 CE2 PHE A 457 -1.026 1.328 4.598 1.00 10.00 C ATOM 741 CZ PHE A 457 -1.563 0.123 4.203 1.00 10.00 C ATOM 0 H PHE A 457 2.800 1.431 6.379 1.00 10.00 H new ATOM 0 HA PHE A 457 2.680 -0.571 8.488 1.00 10.00 H new ATOM 0 HB2 PHE A 457 0.422 -0.210 8.493 1.00 10.00 H new ATOM 0 HB3 PHE A 457 1.021 1.355 7.980 1.00 10.00 H new ATOM 0 HD1 PHE A 457 -0.300 -1.854 6.614 1.00 10.00 H new ATOM 0 HD2 PHE A 457 0.196 2.338 6.024 1.00 10.00 H new ATOM 0 HE1 PHE A 457 -1.718 -1.968 4.617 1.00 10.00 H new ATOM 0 HE2 PHE A 457 -1.233 2.223 4.031 1.00 10.00 H new ATOM 0 HZ PHE A 457 -2.191 0.074 3.326 1.00 10.00 H new ATOM 751 N LEU A 458 2.503 -1.355 5.320 1.00 10.00 N ATOM 752 CA LEU A 458 2.549 -2.475 4.383 1.00 10.00 C ATOM 753 C LEU A 458 3.963 -2.599 3.813 1.00 10.00 C ATOM 754 O LEU A 458 4.159 -2.705 2.603 1.00 10.00 O ATOM 755 CB LEU A 458 1.514 -2.308 3.260 1.00 10.00 C ATOM 756 CG LEU A 458 1.405 -0.906 2.655 1.00 10.00 C ATOM 757 CD1 LEU A 458 2.728 -0.492 2.036 1.00 10.00 C ATOM 758 CD2 LEU A 458 0.291 -0.856 1.614 1.00 10.00 C ATOM 0 H LEU A 458 2.633 -0.440 4.889 1.00 10.00 H new ATOM 0 HA LEU A 458 2.296 -3.391 4.916 1.00 10.00 H new ATOM 0 HB2 LEU A 458 1.756 -3.009 2.462 1.00 10.00 H new ATOM 0 HB3 LEU A 458 0.536 -2.592 3.648 1.00 10.00 H new ATOM 0 HG LEU A 458 1.161 -0.205 3.453 1.00 10.00 H new ATOM 0 HD11 LEU A 458 2.634 0.507 1.610 1.00 10.00 H new ATOM 0 HD12 LEU A 458 3.503 -0.488 2.803 1.00 10.00 H new ATOM 0 HD13 LEU A 458 2.999 -1.197 1.250 1.00 10.00 H new ATOM 0 HD21 LEU A 458 0.229 0.148 1.195 1.00 10.00 H new ATOM 0 HD22 LEU A 458 0.505 -1.569 0.817 1.00 10.00 H new ATOM 0 HD23 LEU A 458 -0.658 -1.112 2.084 1.00 10.00 H new ATOM 770 N GLU A 459 4.937 -2.560 4.724 1.00 10.00 N ATOM 771 CA GLU A 459 6.370 -2.638 4.405 1.00 10.00 C ATOM 772 C GLU A 459 6.664 -3.429 3.134 1.00 10.00 C ATOM 773 O GLU A 459 7.488 -3.014 2.319 1.00 10.00 O ATOM 774 CB GLU A 459 7.129 -3.257 5.579 1.00 10.00 C ATOM 775 CG GLU A 459 8.582 -2.818 5.662 1.00 10.00 C ATOM 776 CD GLU A 459 9.420 -3.354 4.518 1.00 10.00 C ATOM 777 OE1 GLU A 459 9.664 -4.579 4.484 1.00 10.00 O ATOM 778 OE2 GLU A 459 9.834 -2.549 3.657 1.00 10.00 O ATOM 0 H GLU A 459 4.752 -2.472 5.723 1.00 10.00 H new ATOM 0 HA GLU A 459 6.705 -1.616 4.227 1.00 10.00 H new ATOM 0 HB2 GLU A 459 6.624 -2.992 6.508 1.00 10.00 H new ATOM 0 HB3 GLU A 459 7.090 -4.343 5.494 1.00 10.00 H new ATOM 0 HG2 GLU A 459 8.629 -1.729 5.663 1.00 10.00 H new ATOM 0 HG3 GLU A 459 9.006 -3.156 6.607 1.00 10.00 H new ATOM 785 N ARG A 460 5.999 -4.568 2.966 1.00 10.00 N ATOM 786 CA ARG A 460 6.205 -5.408 1.787 1.00 10.00 C ATOM 787 C ARG A 460 6.231 -4.564 0.514 1.00 10.00 C ATOM 788 O ARG A 460 6.858 -4.932 -0.479 1.00 10.00 O ATOM 789 CB ARG A 460 5.105 -6.469 1.692 1.00 10.00 C ATOM 790 CG ARG A 460 5.584 -7.873 2.019 1.00 10.00 C ATOM 791 CD ARG A 460 6.212 -7.942 3.401 1.00 10.00 C ATOM 792 NE ARG A 460 6.415 -9.319 3.842 1.00 10.00 N ATOM 793 CZ ARG A 460 7.393 -10.105 3.394 1.00 10.00 C ATOM 794 NH1 ARG A 460 8.257 -9.653 2.494 1.00 10.00 N ATOM 795 NH2 ARG A 460 7.506 -11.345 3.847 1.00 10.00 N ATOM 0 H ARG A 460 5.314 -4.931 3.629 1.00 10.00 H new ATOM 0 HA ARG A 460 7.170 -5.905 1.889 1.00 10.00 H new ATOM 0 HB2 ARG A 460 4.296 -6.203 2.372 1.00 10.00 H new ATOM 0 HB3 ARG A 460 4.690 -6.461 0.684 1.00 10.00 H new ATOM 0 HG2 ARG A 460 4.745 -8.566 1.965 1.00 10.00 H new ATOM 0 HG3 ARG A 460 6.310 -8.193 1.272 1.00 10.00 H new ATOM 0 HD2 ARG A 460 7.169 -7.420 3.391 1.00 10.00 H new ATOM 0 HD3 ARG A 460 5.573 -7.423 4.116 1.00 10.00 H new ATOM 0 HE ARG A 460 5.770 -9.702 4.534 1.00 10.00 H new ATOM 0 HH11 ARG A 460 8.174 -8.699 2.142 1.00 10.00 H new ATOM 0 HH12 ARG A 460 9.004 -10.259 2.155 1.00 10.00 H new ATOM 0 HH21 ARG A 460 6.844 -11.698 4.539 1.00 10.00 H new ATOM 0 HH22 ARG A 460 8.255 -11.947 3.504 1.00 10.00 H new ATOM 809 N LYS A 461 5.544 -3.428 0.560 1.00 10.00 N ATOM 810 CA LYS A 461 5.479 -2.517 -0.574 1.00 10.00 C ATOM 811 C LYS A 461 6.324 -1.275 -0.311 1.00 10.00 C ATOM 812 O LYS A 461 6.004 -0.472 0.566 1.00 10.00 O ATOM 813 CB LYS A 461 4.029 -2.103 -0.856 1.00 10.00 C ATOM 814 CG LYS A 461 2.979 -3.064 -0.314 1.00 10.00 C ATOM 815 CD LYS A 461 2.564 -4.077 -1.369 1.00 10.00 C ATOM 816 CE LYS A 461 3.299 -5.396 -1.200 1.00 10.00 C ATOM 817 NZ LYS A 461 2.587 -6.312 -0.267 1.00 10.00 N ATOM 0 H LYS A 461 5.021 -3.115 1.378 1.00 10.00 H new ATOM 0 HA LYS A 461 5.873 -3.038 -1.446 1.00 10.00 H new ATOM 0 HB2 LYS A 461 3.856 -1.116 -0.426 1.00 10.00 H new ATOM 0 HB3 LYS A 461 3.895 -2.009 -1.934 1.00 10.00 H new ATOM 0 HG2 LYS A 461 3.374 -3.585 0.558 1.00 10.00 H new ATOM 0 HG3 LYS A 461 2.106 -2.503 0.019 1.00 10.00 H new ATOM 0 HD2 LYS A 461 1.489 -4.248 -1.306 1.00 10.00 H new ATOM 0 HD3 LYS A 461 2.765 -3.673 -2.361 1.00 10.00 H new ATOM 0 HE2 LYS A 461 3.407 -5.879 -2.171 1.00 10.00 H new ATOM 0 HE3 LYS A 461 4.305 -5.206 -0.825 1.00 10.00 H new ATOM 0 HZ1 LYS A 461 3.190 -7.133 -0.059 1.00 10.00 H new ATOM 0 HZ2 LYS A 461 2.371 -5.808 0.617 1.00 10.00 H new ATOM 0 HZ3 LYS A 461 1.701 -6.635 -0.706 1.00 10.00 H new ATOM 831 N THR A 462 7.400 -1.119 -1.073 1.00 10.00 N ATOM 832 CA THR A 462 8.282 0.032 -0.916 1.00 10.00 C ATOM 833 C THR A 462 7.606 1.300 -1.426 1.00 10.00 C ATOM 834 O THR A 462 6.659 1.235 -2.208 1.00 10.00 O ATOM 835 CB THR A 462 9.603 -0.196 -1.660 1.00 10.00 C ATOM 836 OG1 THR A 462 9.537 -1.364 -2.459 1.00 10.00 O ATOM 837 CG2 THR A 462 10.791 -0.339 -0.734 1.00 10.00 C ATOM 0 H THR A 462 7.683 -1.772 -1.804 1.00 10.00 H new ATOM 0 HA THR A 462 8.495 0.154 0.146 1.00 10.00 H new ATOM 0 HB THR A 462 9.745 0.693 -2.275 1.00 10.00 H new ATOM 0 HG1 THR A 462 10.389 -1.489 -2.926 1.00 10.00 H new ATOM 0 HG21 THR A 462 11.694 -0.498 -1.323 1.00 10.00 H new ATOM 0 HG22 THR A 462 10.900 0.568 -0.140 1.00 10.00 H new ATOM 0 HG23 THR A 462 10.635 -1.190 -0.071 1.00 10.00 H new ATOM 845 N VAL A 463 8.097 2.454 -0.981 1.00 10.00 N ATOM 846 CA VAL A 463 7.534 3.736 -1.398 1.00 10.00 C ATOM 847 C VAL A 463 7.408 3.811 -2.916 1.00 10.00 C ATOM 848 O VAL A 463 6.303 3.814 -3.457 1.00 10.00 O ATOM 849 CB VAL A 463 8.391 4.917 -0.897 1.00 10.00 C ATOM 850 CG1 VAL A 463 7.760 6.248 -1.285 1.00 10.00 C ATOM 851 CG2 VAL A 463 8.586 4.832 0.610 1.00 10.00 C ATOM 0 H VAL A 463 8.882 2.528 -0.333 1.00 10.00 H new ATOM 0 HA VAL A 463 6.542 3.809 -0.953 1.00 10.00 H new ATOM 0 HB VAL A 463 9.369 4.856 -1.374 1.00 10.00 H new ATOM 0 HG11 VAL A 463 8.382 7.066 -0.921 1.00 10.00 H new ATOM 0 HG12 VAL A 463 7.679 6.309 -2.370 1.00 10.00 H new ATOM 0 HG13 VAL A 463 6.767 6.323 -0.842 1.00 10.00 H new ATOM 0 HG21 VAL A 463 9.193 5.673 0.946 1.00 10.00 H new ATOM 0 HG22 VAL A 463 7.615 4.864 1.105 1.00 10.00 H new ATOM 0 HG23 VAL A 463 9.090 3.898 0.860 1.00 10.00 H new ATOM 861 N ALA A 464 8.545 3.858 -3.599 1.00 10.00 N ATOM 862 CA ALA A 464 8.554 3.918 -5.054 1.00 10.00 C ATOM 863 C ALA A 464 7.909 2.671 -5.651 1.00 10.00 C ATOM 864 O ALA A 464 7.502 2.666 -6.813 1.00 10.00 O ATOM 865 CB ALA A 464 9.976 4.079 -5.569 1.00 10.00 C ATOM 0 H ALA A 464 9.470 3.856 -3.170 1.00 10.00 H new ATOM 0 HA ALA A 464 7.971 4.785 -5.364 1.00 10.00 H new ATOM 0 HB1 ALA A 464 9.966 4.122 -6.658 1.00 10.00 H new ATOM 0 HB2 ALA A 464 10.404 5.000 -5.173 1.00 10.00 H new ATOM 0 HB3 ALA A 464 10.579 3.230 -5.245 1.00 10.00 H new ATOM 871 N GLU A 465 7.818 1.614 -4.848 1.00 10.00 N ATOM 872 CA GLU A 465 7.224 0.361 -5.294 1.00 10.00 C ATOM 873 C GLU A 465 5.702 0.403 -5.184 1.00 10.00 C ATOM 874 O GLU A 465 5.003 -0.326 -5.888 1.00 10.00 O ATOM 875 CB GLU A 465 7.771 -0.808 -4.473 1.00 10.00 C ATOM 876 CG GLU A 465 7.245 -2.163 -4.916 1.00 10.00 C ATOM 877 CD GLU A 465 7.946 -2.685 -6.155 1.00 10.00 C ATOM 878 OE1 GLU A 465 9.010 -3.322 -6.012 1.00 10.00 O ATOM 879 OE2 GLU A 465 7.431 -2.455 -7.270 1.00 10.00 O ATOM 0 H GLU A 465 8.149 1.602 -3.883 1.00 10.00 H new ATOM 0 HA GLU A 465 7.489 0.220 -6.342 1.00 10.00 H new ATOM 0 HB2 GLU A 465 8.859 -0.810 -4.540 1.00 10.00 H new ATOM 0 HB3 GLU A 465 7.517 -0.654 -3.424 1.00 10.00 H new ATOM 0 HG2 GLU A 465 7.369 -2.880 -4.104 1.00 10.00 H new ATOM 0 HG3 GLU A 465 6.176 -2.087 -5.113 1.00 10.00 H new ATOM 886 N CYS A 466 5.187 1.260 -4.304 1.00 10.00 N ATOM 887 CA CYS A 466 3.747 1.381 -4.124 1.00 10.00 C ATOM 888 C CYS A 466 3.117 2.044 -5.341 1.00 10.00 C ATOM 889 O CYS A 466 1.973 1.758 -5.691 1.00 10.00 O ATOM 890 CB CYS A 466 3.426 2.178 -2.858 1.00 10.00 C ATOM 891 SG CYS A 466 3.897 1.349 -1.322 1.00 10.00 S ATOM 0 H CYS A 466 5.743 1.875 -3.710 1.00 10.00 H new ATOM 0 HA CYS A 466 3.329 0.380 -4.014 1.00 10.00 H new ATOM 0 HB2 CYS A 466 3.935 3.141 -2.909 1.00 10.00 H new ATOM 0 HB3 CYS A 466 2.356 2.384 -2.833 1.00 10.00 H new ATOM 0 HG CYS A 466 5.156 1.028 -1.371 1.00 10.00 H new ATOM 897 N VAL A 467 3.879 2.917 -5.997 1.00 10.00 N ATOM 898 CA VAL A 467 3.397 3.603 -7.191 1.00 10.00 C ATOM 899 C VAL A 467 2.848 2.595 -8.198 1.00 10.00 C ATOM 900 O VAL A 467 2.004 2.923 -9.028 1.00 10.00 O ATOM 901 CB VAL A 467 4.518 4.424 -7.863 1.00 10.00 C ATOM 902 CG1 VAL A 467 4.005 5.117 -9.119 1.00 10.00 C ATOM 903 CG2 VAL A 467 5.096 5.436 -6.887 1.00 10.00 C ATOM 0 H VAL A 467 4.830 3.165 -5.722 1.00 10.00 H new ATOM 0 HA VAL A 467 2.605 4.283 -6.877 1.00 10.00 H new ATOM 0 HB VAL A 467 5.313 3.739 -8.158 1.00 10.00 H new ATOM 0 HG11 VAL A 467 4.813 5.689 -9.575 1.00 10.00 H new ATOM 0 HG12 VAL A 467 3.646 4.369 -9.826 1.00 10.00 H new ATOM 0 HG13 VAL A 467 3.188 5.789 -8.856 1.00 10.00 H new ATOM 0 HG21 VAL A 467 5.885 6.006 -7.378 1.00 10.00 H new ATOM 0 HG22 VAL A 467 4.309 6.115 -6.558 1.00 10.00 H new ATOM 0 HG23 VAL A 467 5.509 4.914 -6.024 1.00 10.00 H new ATOM 913 N LEU A 468 3.341 1.364 -8.114 1.00 10.00 N ATOM 914 CA LEU A 468 2.909 0.302 -9.009 1.00 10.00 C ATOM 915 C LEU A 468 1.414 0.018 -8.869 1.00 10.00 C ATOM 916 O LEU A 468 0.822 -0.648 -9.717 1.00 10.00 O ATOM 917 CB LEU A 468 3.710 -0.973 -8.732 1.00 10.00 C ATOM 918 CG LEU A 468 3.481 -2.114 -9.728 1.00 10.00 C ATOM 919 CD1 LEU A 468 4.801 -2.577 -10.327 1.00 10.00 C ATOM 920 CD2 LEU A 468 2.765 -3.277 -9.055 1.00 10.00 C ATOM 0 H LEU A 468 4.043 1.078 -7.431 1.00 10.00 H new ATOM 0 HA LEU A 468 3.091 0.634 -10.031 1.00 10.00 H new ATOM 0 HB2 LEU A 468 4.771 -0.723 -8.727 1.00 10.00 H new ATOM 0 HB3 LEU A 468 3.462 -1.329 -7.732 1.00 10.00 H new ATOM 0 HG LEU A 468 2.850 -1.741 -10.535 1.00 10.00 H new ATOM 0 HD11 LEU A 468 4.616 -3.388 -11.032 1.00 10.00 H new ATOM 0 HD12 LEU A 468 5.276 -1.745 -10.847 1.00 10.00 H new ATOM 0 HD13 LEU A 468 5.457 -2.930 -9.532 1.00 10.00 H new ATOM 0 HD21 LEU A 468 2.611 -4.078 -9.779 1.00 10.00 H new ATOM 0 HD22 LEU A 468 3.370 -3.647 -8.227 1.00 10.00 H new ATOM 0 HD23 LEU A 468 1.800 -2.940 -8.676 1.00 10.00 H new ATOM 932 N TYR A 469 0.812 0.511 -7.789 1.00 10.00 N ATOM 933 CA TYR A 469 -0.604 0.289 -7.539 1.00 10.00 C ATOM 934 C TYR A 469 -1.464 1.500 -7.915 1.00 10.00 C ATOM 935 O TYR A 469 -2.687 1.398 -7.962 1.00 10.00 O ATOM 936 CB TYR A 469 -0.827 -0.080 -6.066 1.00 10.00 C ATOM 937 CG TYR A 469 -1.361 1.029 -5.184 1.00 10.00 C ATOM 938 CD1 TYR A 469 -0.838 2.309 -5.257 1.00 10.00 C ATOM 939 CD2 TYR A 469 -2.379 0.785 -4.267 1.00 10.00 C ATOM 940 CE1 TYR A 469 -1.310 3.321 -4.449 1.00 10.00 C ATOM 941 CE2 TYR A 469 -2.857 1.791 -3.455 1.00 10.00 C ATOM 942 CZ TYR A 469 -2.319 3.058 -3.550 1.00 10.00 C ATOM 943 OH TYR A 469 -2.787 4.066 -2.741 1.00 10.00 O ATOM 0 H TYR A 469 1.285 1.066 -7.076 1.00 10.00 H new ATOM 0 HA TYR A 469 -0.918 -0.537 -8.177 1.00 10.00 H new ATOM 0 HB2 TYR A 469 -1.521 -0.920 -6.022 1.00 10.00 H new ATOM 0 HB3 TYR A 469 0.119 -0.426 -5.650 1.00 10.00 H new ATOM 0 HD1 TYR A 469 -0.045 2.518 -5.960 1.00 10.00 H new ATOM 0 HD2 TYR A 469 -2.800 -0.206 -4.191 1.00 10.00 H new ATOM 0 HE1 TYR A 469 -0.891 4.314 -4.521 1.00 10.00 H new ATOM 0 HE2 TYR A 469 -3.648 1.589 -2.748 1.00 10.00 H new ATOM 0 HH TYR A 469 -3.362 4.664 -3.263 1.00 10.00 H new ATOM 953 N TYR A 470 -0.835 2.650 -8.144 1.00 10.00 N ATOM 954 CA TYR A 470 -1.581 3.861 -8.470 1.00 10.00 C ATOM 955 C TYR A 470 -1.749 4.056 -9.975 1.00 10.00 C ATOM 956 O TYR A 470 -2.717 4.678 -10.415 1.00 10.00 O ATOM 957 CB TYR A 470 -0.900 5.084 -7.828 1.00 10.00 C ATOM 958 CG TYR A 470 -0.322 6.081 -8.813 1.00 10.00 C ATOM 959 CD1 TYR A 470 0.687 5.711 -9.692 1.00 10.00 C ATOM 960 CD2 TYR A 470 -0.785 7.390 -8.860 1.00 10.00 C ATOM 961 CE1 TYR A 470 1.218 6.614 -10.590 1.00 10.00 C ATOM 962 CE2 TYR A 470 -0.259 8.301 -9.755 1.00 10.00 C ATOM 963 CZ TYR A 470 0.743 7.909 -10.618 1.00 10.00 C ATOM 964 OH TYR A 470 1.270 8.812 -11.511 1.00 10.00 O ATOM 0 H TYR A 470 0.178 2.768 -8.110 1.00 10.00 H new ATOM 0 HA TYR A 470 -2.585 3.752 -8.059 1.00 10.00 H new ATOM 0 HB2 TYR A 470 -1.626 5.597 -7.198 1.00 10.00 H new ATOM 0 HB3 TYR A 470 -0.100 4.735 -7.174 1.00 10.00 H new ATOM 0 HD1 TYR A 470 1.063 4.699 -9.673 1.00 10.00 H new ATOM 0 HD2 TYR A 470 -1.569 7.700 -8.185 1.00 10.00 H new ATOM 0 HE1 TYR A 470 2.002 6.309 -11.268 1.00 10.00 H new ATOM 0 HE2 TYR A 470 -0.630 9.315 -9.779 1.00 10.00 H new ATOM 0 HH TYR A 470 0.825 9.678 -11.402 1.00 10.00 H new ATOM 974 N TYR A 471 -0.813 3.543 -10.767 1.00 10.00 N ATOM 975 CA TYR A 471 -0.901 3.705 -12.215 1.00 10.00 C ATOM 976 C TYR A 471 -1.727 2.599 -12.866 1.00 10.00 C ATOM 977 O TYR A 471 -2.133 2.720 -14.021 1.00 10.00 O ATOM 978 CB TYR A 471 0.495 3.791 -12.853 1.00 10.00 C ATOM 979 CG TYR A 471 1.413 2.598 -12.619 1.00 10.00 C ATOM 980 CD1 TYR A 471 0.922 1.306 -12.447 1.00 10.00 C ATOM 981 CD2 TYR A 471 2.792 2.775 -12.598 1.00 10.00 C ATOM 982 CE1 TYR A 471 1.772 0.234 -12.264 1.00 10.00 C ATOM 983 CE2 TYR A 471 3.649 1.707 -12.411 1.00 10.00 C ATOM 984 CZ TYR A 471 3.135 0.439 -12.248 1.00 10.00 C ATOM 985 OH TYR A 471 3.985 -0.629 -12.068 1.00 10.00 O ATOM 0 H TYR A 471 0.000 3.021 -10.440 1.00 10.00 H new ATOM 0 HA TYR A 471 -1.417 4.648 -12.397 1.00 10.00 H new ATOM 0 HB2 TYR A 471 0.373 3.925 -13.928 1.00 10.00 H new ATOM 0 HB3 TYR A 471 0.991 4.685 -12.475 1.00 10.00 H new ATOM 0 HD1 TYR A 471 -0.145 1.140 -12.457 1.00 10.00 H new ATOM 0 HD2 TYR A 471 3.201 3.766 -12.730 1.00 10.00 H new ATOM 0 HE1 TYR A 471 1.371 -0.760 -12.134 1.00 10.00 H new ATOM 0 HE2 TYR A 471 4.717 1.866 -12.393 1.00 10.00 H new ATOM 0 HH TYR A 471 4.909 -0.342 -12.225 1.00 10.00 H new