USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 662 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 477 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 524 GLN : amide:sc= 0 X(o=0,f=0.01) USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.22) USER MOD Single : A 463 GLN : amide:sc= -0.773 K(o=-0.77,f=0) USER MOD Single : A 465 LYS NZ :NH3+ 164:sc= 2.4 (180deg=2.2) USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 THR OG1 : rot 180:sc= 0 USER MOD Single : A 474 SER OG : rot 180:sc= 0 USER MOD Single : A 476 THR OG1 : rot 180:sc= -0.0257 USER MOD Single : A 489 TYR OH : rot 180:sc= 0.0371 USER MOD Single : A 491 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0585) USER MOD Single : A 492 ASN : amide:sc= -0.501 K(o=-0.5,f=-7.3!) USER MOD Single : A 501 GLN : amide:sc= 0.48 K(o=0.48,f=-0.96) USER MOD Single : A 506 LYS NZ :NH3+ 169:sc= 1.17 (180deg=1.08) USER MOD Single : A 515 ASN : amide:sc= -2.51 K(o=-2.5,f=-5.7!) USER MOD Single : A 522 LYS NZ :NH3+ -142:sc= -0.926 (180deg=-2.85!) USER MOD Single : A 523 SER OG : rot 180:sc= 0 USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 533 SER OG : rot 180:sc= 0 USER MOD Single : A 534 THR OG1 : rot -9:sc= 0.989 USER MOD Single : A 535 LYS NZ :NH3+ 169:sc= -0.0171 (180deg=-0.211) USER MOD Single : A 536 MET CE :methyl -141:sc= -0.226 (180deg=-1.16) USER MOD Single : A 539 THR OG1 : rot 180:sc= 0 USER MOD Single : A 541 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 138 N LYS A 458 -11.817 -8.160 -2.661 1.00 65.31 N ATOM 139 CA LYS A 458 -11.718 -7.461 -3.901 1.00 63.12 C ATOM 140 C LYS A 458 -10.541 -6.581 -3.969 1.00 2.32 C ATOM 141 O LYS A 458 -9.926 -6.240 -2.957 1.00 13.44 O ATOM 142 CB LYS A 458 -12.925 -6.601 -4.232 1.00 13.34 C ATOM 143 CG LYS A 458 -14.155 -7.314 -4.720 1.00 1.40 C ATOM 144 CD LYS A 458 -15.161 -6.298 -5.258 1.00 70.03 C ATOM 145 CE LYS A 458 -14.539 -5.430 -6.377 1.00 43.34 C ATOM 146 NZ LYS A 458 -15.521 -4.512 -6.995 1.00 53.30 N ATOM 0 HA LYS A 458 -11.641 -8.271 -4.627 1.00 63.12 H new ATOM 0 HB2 LYS A 458 -13.193 -6.035 -3.340 1.00 13.34 H new ATOM 0 HB3 LYS A 458 -12.628 -5.878 -4.992 1.00 13.34 H new ATOM 0 HG2 LYS A 458 -13.888 -8.025 -5.502 1.00 1.40 H new ATOM 0 HG3 LYS A 458 -14.602 -7.887 -3.907 1.00 1.40 H new ATOM 0 HD2 LYS A 458 -16.037 -6.820 -5.644 1.00 70.03 H new ATOM 0 HD3 LYS A 458 -15.504 -5.657 -4.446 1.00 70.03 H new ATOM 0 HE2 LYS A 458 -13.713 -4.850 -5.965 1.00 43.34 H new ATOM 0 HE3 LYS A 458 -14.120 -6.080 -7.146 1.00 43.34 H new ATOM 0 HZ1 LYS A 458 -15.054 -3.953 -7.738 1.00 53.30 H new ATOM 0 HZ2 LYS A 458 -16.297 -5.064 -7.413 1.00 53.30 H new ATOM 0 HZ3 LYS A 458 -15.903 -3.872 -6.269 1.00 53.30 H new ATOM 160 N ARG A 459 -10.245 -6.211 -5.171 1.00 23.05 N ATOM 161 CA ARG A 459 -9.283 -5.220 -5.456 1.00 43.34 C ATOM 162 C ARG A 459 -10.042 -4.009 -5.919 1.00 24.41 C ATOM 163 O ARG A 459 -10.943 -4.115 -6.755 1.00 75.51 O ATOM 164 CB ARG A 459 -8.306 -5.677 -6.519 1.00 62.24 C ATOM 165 CG ARG A 459 -7.516 -6.898 -6.129 1.00 0.13 C ATOM 166 CD ARG A 459 -6.504 -7.232 -7.183 1.00 52.14 C ATOM 167 NE ARG A 459 -5.739 -8.424 -6.841 1.00 60.12 N ATOM 168 CZ ARG A 459 -4.693 -8.886 -7.528 1.00 30.12 C ATOM 169 NH1 ARG A 459 -4.287 -8.267 -8.629 1.00 32.14 N ATOM 170 NH2 ARG A 459 -4.063 -9.974 -7.113 1.00 40.30 N ATOM 0 H ARG A 459 -10.684 -6.607 -6.002 1.00 23.05 H new ATOM 0 HA ARG A 459 -8.688 -5.002 -4.569 1.00 43.34 H new ATOM 0 HB2 ARG A 459 -8.854 -5.888 -7.437 1.00 62.24 H new ATOM 0 HB3 ARG A 459 -7.615 -4.863 -6.739 1.00 62.24 H new ATOM 0 HG2 ARG A 459 -7.014 -6.724 -5.177 1.00 0.13 H new ATOM 0 HG3 ARG A 459 -8.190 -7.742 -5.984 1.00 0.13 H new ATOM 0 HD2 ARG A 459 -7.010 -7.386 -8.136 1.00 52.14 H new ATOM 0 HD3 ARG A 459 -5.825 -6.390 -7.315 1.00 52.14 H new ATOM 0 HE ARG A 459 -6.025 -8.945 -6.012 1.00 60.12 H new ATOM 0 HH11 ARG A 459 -4.775 -7.433 -8.955 1.00 32.14 H new ATOM 0 HH12 ARG A 459 -3.486 -8.625 -9.150 1.00 32.14 H new ATOM 0 HH21 ARG A 459 -4.378 -10.456 -6.271 1.00 40.30 H new ATOM 0 HH22 ARG A 459 -3.263 -10.331 -7.635 1.00 40.30 H new ATOM 184 N LEU A 460 -9.718 -2.895 -5.374 1.00 63.54 N ATOM 185 CA LEU A 460 -10.435 -1.673 -5.646 1.00 44.42 C ATOM 186 C LEU A 460 -9.495 -0.659 -6.211 1.00 42.24 C ATOM 187 O LEU A 460 -8.390 -0.477 -5.693 1.00 4.20 O ATOM 188 CB LEU A 460 -11.108 -1.084 -4.371 1.00 30.20 C ATOM 189 CG LEU A 460 -12.159 -1.943 -3.618 1.00 13.35 C ATOM 190 CD1 LEU A 460 -13.250 -2.443 -4.543 1.00 34.41 C ATOM 191 CD2 LEU A 460 -11.530 -3.077 -2.810 1.00 1.53 C ATOM 0 H LEU A 460 -8.943 -2.789 -4.719 1.00 63.54 H new ATOM 0 HA LEU A 460 -11.223 -1.911 -6.360 1.00 44.42 H new ATOM 0 HB2 LEU A 460 -10.316 -0.836 -3.664 1.00 30.20 H new ATOM 0 HB3 LEU A 460 -11.588 -0.147 -4.654 1.00 30.20 H new ATOM 0 HG LEU A 460 -12.631 -1.279 -2.893 1.00 13.35 H new ATOM 0 HD11 LEU A 460 -13.964 -3.039 -3.975 1.00 34.41 H new ATOM 0 HD12 LEU A 460 -13.764 -1.593 -4.992 1.00 34.41 H new ATOM 0 HD13 LEU A 460 -12.808 -3.057 -5.328 1.00 34.41 H new ATOM 0 HD21 LEU A 460 -12.314 -3.643 -2.306 1.00 1.53 H new ATOM 0 HD22 LEU A 460 -10.979 -3.738 -3.479 1.00 1.53 H new ATOM 0 HD23 LEU A 460 -10.848 -2.661 -2.068 1.00 1.53 H new ATOM 203 N ASN A 461 -9.909 -0.020 -7.266 1.00 12.34 N ATOM 204 CA ASN A 461 -9.112 1.009 -7.891 1.00 54.24 C ATOM 205 C ASN A 461 -9.504 2.358 -7.325 1.00 45.14 C ATOM 206 O ASN A 461 -10.632 2.816 -7.482 1.00 61.52 O ATOM 207 CB ASN A 461 -9.243 0.978 -9.439 1.00 73.14 C ATOM 208 CG ASN A 461 -10.685 1.090 -9.958 1.00 3.23 C ATOM 209 OD1 ASN A 461 -11.206 2.190 -10.195 1.00 34.43 O ATOM 210 ND2 ASN A 461 -11.327 -0.037 -10.150 1.00 63.24 N ATOM 0 H ASN A 461 -10.806 -0.193 -7.721 1.00 12.34 H new ATOM 0 HA ASN A 461 -8.061 0.823 -7.668 1.00 54.24 H new ATOM 0 HB2 ASN A 461 -8.655 1.795 -9.857 1.00 73.14 H new ATOM 0 HB3 ASN A 461 -8.808 0.050 -9.809 1.00 73.14 H new ATOM 0 HD21 ASN A 461 -12.283 -0.025 -10.504 1.00 63.24 H new ATOM 0 HD22 ASN A 461 -10.870 -0.926 -9.945 1.00 63.24 H new ATOM 217 N ILE A 462 -8.583 2.973 -6.651 1.00 33.14 N ATOM 218 CA ILE A 462 -8.819 4.225 -5.986 1.00 12.31 C ATOM 219 C ILE A 462 -7.851 5.286 -6.511 1.00 62.55 C ATOM 220 O ILE A 462 -6.656 5.101 -6.460 1.00 11.14 O ATOM 221 CB ILE A 462 -8.596 4.055 -4.452 1.00 12.14 C ATOM 222 CG1 ILE A 462 -9.517 2.964 -3.877 1.00 15.20 C ATOM 223 CG2 ILE A 462 -8.836 5.363 -3.731 1.00 70.00 C ATOM 224 CD1 ILE A 462 -9.353 2.740 -2.383 1.00 12.03 C ATOM 0 H ILE A 462 -7.633 2.619 -6.543 1.00 33.14 H new ATOM 0 HA ILE A 462 -9.845 4.537 -6.180 1.00 12.31 H new ATOM 0 HB ILE A 462 -7.561 3.750 -4.298 1.00 12.14 H new ATOM 0 HG12 ILE A 462 -10.553 3.233 -4.082 1.00 15.20 H new ATOM 0 HG13 ILE A 462 -9.322 2.027 -4.398 1.00 15.20 H new ATOM 0 HG21 ILE A 462 -8.675 5.224 -2.662 1.00 70.00 H new ATOM 0 HG22 ILE A 462 -8.145 6.118 -4.107 1.00 70.00 H new ATOM 0 HG23 ILE A 462 -9.861 5.691 -3.904 1.00 70.00 H new ATOM 0 HD11 ILE A 462 -10.036 1.957 -2.055 1.00 12.03 H new ATOM 0 HD12 ILE A 462 -8.327 2.439 -2.171 1.00 12.03 H new ATOM 0 HD13 ILE A 462 -9.578 3.664 -1.850 1.00 12.03 H new ATOM 236 N GLN A 463 -8.364 6.377 -7.025 1.00 72.53 N ATOM 237 CA GLN A 463 -7.509 7.452 -7.500 1.00 61.13 C ATOM 238 C GLN A 463 -7.450 8.601 -6.519 1.00 74.35 C ATOM 239 O GLN A 463 -8.477 9.104 -6.072 1.00 2.40 O ATOM 240 CB GLN A 463 -7.918 7.930 -8.888 1.00 23.30 C ATOM 241 CG GLN A 463 -7.553 6.963 -9.999 1.00 32.11 C ATOM 242 CD GLN A 463 -8.110 7.369 -11.354 1.00 74.43 C ATOM 243 OE1 GLN A 463 -8.390 6.522 -12.202 1.00 31.32 O ATOM 244 NE2 GLN A 463 -8.279 8.650 -11.572 1.00 13.30 N ATOM 0 H GLN A 463 -9.364 6.549 -7.128 1.00 72.53 H new ATOM 0 HA GLN A 463 -6.503 7.041 -7.580 1.00 61.13 H new ATOM 0 HB2 GLN A 463 -8.995 8.096 -8.902 1.00 23.30 H new ATOM 0 HB3 GLN A 463 -7.444 8.892 -9.085 1.00 23.30 H new ATOM 0 HG2 GLN A 463 -6.468 6.891 -10.067 1.00 32.11 H new ATOM 0 HG3 GLN A 463 -7.923 5.970 -9.744 1.00 32.11 H new ATOM 0 HE21 GLN A 463 -8.037 9.327 -10.848 1.00 13.30 H new ATOM 0 HE22 GLN A 463 -8.653 8.970 -12.465 1.00 13.30 H new ATOM 253 N LEU A 464 -6.245 9.012 -6.195 1.00 21.31 N ATOM 254 CA LEU A 464 -5.988 10.101 -5.248 1.00 43.11 C ATOM 255 C LEU A 464 -5.337 11.255 -5.960 1.00 41.13 C ATOM 256 O LEU A 464 -4.435 11.054 -6.763 1.00 24.53 O ATOM 257 CB LEU A 464 -5.064 9.617 -4.111 1.00 31.22 C ATOM 258 CG LEU A 464 -5.696 8.909 -2.882 1.00 33.22 C ATOM 259 CD1 LEU A 464 -6.364 9.907 -1.958 1.00 35.13 C ATOM 260 CD2 LEU A 464 -6.709 7.875 -3.269 1.00 35.31 C ATOM 0 H LEU A 464 -5.396 8.600 -6.582 1.00 21.31 H new ATOM 0 HA LEU A 464 -6.939 10.422 -4.823 1.00 43.11 H new ATOM 0 HB2 LEU A 464 -4.335 8.933 -4.547 1.00 31.22 H new ATOM 0 HB3 LEU A 464 -4.511 10.482 -3.745 1.00 31.22 H new ATOM 0 HG LEU A 464 -4.870 8.415 -2.370 1.00 33.22 H new ATOM 0 HD11 LEU A 464 -6.797 9.382 -1.107 1.00 35.13 H new ATOM 0 HD12 LEU A 464 -5.625 10.625 -1.603 1.00 35.13 H new ATOM 0 HD13 LEU A 464 -7.151 10.433 -2.498 1.00 35.13 H new ATOM 0 HD21 LEU A 464 -7.118 7.412 -2.371 1.00 35.31 H new ATOM 0 HD22 LEU A 464 -7.514 8.347 -3.833 1.00 35.31 H new ATOM 0 HD23 LEU A 464 -6.233 7.112 -3.885 1.00 35.31 H new ATOM 272 N LYS A 465 -5.799 12.455 -5.683 1.00 55.31 N ATOM 273 CA LYS A 465 -5.265 13.617 -6.279 1.00 43.24 C ATOM 274 C LYS A 465 -4.310 14.233 -5.313 1.00 4.15 C ATOM 275 O LYS A 465 -4.559 14.251 -4.104 1.00 51.51 O ATOM 276 CB LYS A 465 -6.327 14.701 -6.691 1.00 52.03 C ATOM 277 CG LYS A 465 -7.343 14.402 -7.847 1.00 50.21 C ATOM 278 CD LYS A 465 -8.618 13.631 -7.430 1.00 14.04 C ATOM 279 CE LYS A 465 -8.376 12.185 -7.116 1.00 3.50 C ATOM 280 NZ LYS A 465 -9.593 11.501 -6.604 1.00 2.54 N ATOM 0 H LYS A 465 -6.562 12.632 -5.030 1.00 55.31 H new ATOM 0 HA LYS A 465 -4.790 13.297 -7.207 1.00 43.24 H new ATOM 0 HB2 LYS A 465 -6.909 14.939 -5.801 1.00 52.03 H new ATOM 0 HB3 LYS A 465 -5.780 15.603 -6.965 1.00 52.03 H new ATOM 0 HG2 LYS A 465 -7.643 15.348 -8.298 1.00 50.21 H new ATOM 0 HG3 LYS A 465 -6.830 13.830 -8.619 1.00 50.21 H new ATOM 0 HD2 LYS A 465 -9.054 14.115 -6.556 1.00 14.04 H new ATOM 0 HD3 LYS A 465 -9.352 13.701 -8.233 1.00 14.04 H new ATOM 0 HE2 LYS A 465 -8.028 11.675 -8.014 1.00 3.50 H new ATOM 0 HE3 LYS A 465 -7.580 12.106 -6.375 1.00 3.50 H new ATOM 0 HZ1 LYS A 465 -9.461 10.471 -6.658 1.00 2.54 H new ATOM 0 HZ2 LYS A 465 -9.756 11.778 -5.615 1.00 2.54 H new ATOM 0 HZ3 LYS A 465 -10.414 11.776 -7.180 1.00 2.54 H new ATOM 294 N LYS A 466 -3.212 14.652 -5.819 1.00 71.31 N ATOM 295 CA LYS A 466 -2.228 15.379 -5.042 1.00 54.32 C ATOM 296 C LYS A 466 -2.830 16.662 -4.476 1.00 15.51 C ATOM 297 O LYS A 466 -3.093 17.627 -5.216 1.00 33.21 O ATOM 298 CB LYS A 466 -0.960 15.714 -5.851 1.00 62.15 C ATOM 299 CG LYS A 466 -0.022 16.660 -5.087 1.00 1.53 C ATOM 300 CD LYS A 466 1.249 16.982 -5.832 1.00 5.31 C ATOM 301 CE LYS A 466 2.239 15.842 -5.827 1.00 1.44 C ATOM 302 NZ LYS A 466 3.497 16.219 -6.511 1.00 53.22 N ATOM 0 H LYS A 466 -2.949 14.508 -6.794 1.00 71.31 H new ATOM 0 HA LYS A 466 -1.932 14.721 -4.225 1.00 54.32 H new ATOM 0 HB2 LYS A 466 -0.429 14.793 -6.090 1.00 62.15 H new ATOM 0 HB3 LYS A 466 -1.245 16.173 -6.798 1.00 62.15 H new ATOM 0 HG2 LYS A 466 -0.552 17.588 -4.872 1.00 1.53 H new ATOM 0 HG3 LYS A 466 0.233 16.209 -4.128 1.00 1.53 H new ATOM 0 HD2 LYS A 466 1.005 17.240 -6.863 1.00 5.31 H new ATOM 0 HD3 LYS A 466 1.713 17.861 -5.385 1.00 5.31 H new ATOM 0 HE2 LYS A 466 2.455 15.549 -4.799 1.00 1.44 H new ATOM 0 HE3 LYS A 466 1.800 14.974 -6.320 1.00 1.44 H new ATOM 0 HZ1 LYS A 466 4.157 15.416 -6.491 1.00 53.22 H new ATOM 0 HZ2 LYS A 466 3.292 16.475 -7.498 1.00 53.22 H new ATOM 0 HZ3 LYS A 466 3.926 17.032 -6.025 1.00 53.22 H new ATOM 316 N GLY A 467 -3.087 16.643 -3.188 1.00 11.23 N ATOM 317 CA GLY A 467 -3.584 17.806 -2.504 1.00 40.21 C ATOM 318 C GLY A 467 -2.456 18.608 -1.926 1.00 11.54 C ATOM 319 O GLY A 467 -1.413 18.762 -2.573 1.00 43.31 O ATOM 0 H GLY A 467 -2.957 15.825 -2.592 1.00 11.23 H new ATOM 0 HA2 GLY A 467 -4.157 18.423 -3.196 1.00 40.21 H new ATOM 0 HA3 GLY A 467 -4.265 17.502 -1.709 1.00 40.21 H new ATOM 323 N THR A 468 -2.635 19.102 -0.722 1.00 11.24 N ATOM 324 CA THR A 468 -1.605 19.875 -0.074 1.00 20.04 C ATOM 325 C THR A 468 -0.385 19.000 0.220 1.00 14.54 C ATOM 326 O THR A 468 0.750 19.385 -0.064 1.00 1.10 O ATOM 327 CB THR A 468 -2.125 20.642 1.186 1.00 13.45 C ATOM 328 OG1 THR A 468 -1.074 21.417 1.769 1.00 5.14 O ATOM 329 CG2 THR A 468 -2.703 19.693 2.240 1.00 42.44 C ATOM 0 H THR A 468 -3.486 18.981 -0.173 1.00 11.24 H new ATOM 0 HA THR A 468 -1.290 20.655 -0.767 1.00 20.04 H new ATOM 0 HB THR A 468 -2.925 21.301 0.849 1.00 13.45 H new ATOM 0 HG1 THR A 468 -1.415 21.892 2.555 1.00 5.14 H new ATOM 0 HG21 THR A 468 -3.052 20.270 3.097 1.00 42.44 H new ATOM 0 HG22 THR A 468 -3.538 19.139 1.812 1.00 42.44 H new ATOM 0 HG23 THR A 468 -1.931 18.994 2.563 1.00 42.44 H new ATOM 337 N GLU A 469 -0.612 17.834 0.761 1.00 31.42 N ATOM 338 CA GLU A 469 0.421 16.891 0.944 1.00 5.41 C ATOM 339 C GLU A 469 0.024 15.660 0.206 1.00 64.11 C ATOM 340 O GLU A 469 -0.621 14.772 0.748 1.00 40.35 O ATOM 341 CB GLU A 469 0.693 16.632 2.422 1.00 75.41 C ATOM 342 CG GLU A 469 1.241 17.849 3.146 1.00 64.31 C ATOM 343 CD GLU A 469 1.446 17.613 4.607 1.00 11.10 C ATOM 344 OE1 GLU A 469 2.274 16.754 4.968 1.00 10.41 O ATOM 345 OE2 GLU A 469 0.816 18.303 5.416 1.00 61.32 O ATOM 0 H GLU A 469 -1.529 17.524 1.084 1.00 31.42 H new ATOM 0 HA GLU A 469 1.364 17.268 0.549 1.00 5.41 H new ATOM 0 HB2 GLU A 469 -0.231 16.314 2.905 1.00 75.41 H new ATOM 0 HB3 GLU A 469 1.402 15.810 2.517 1.00 75.41 H new ATOM 0 HG2 GLU A 469 2.189 18.138 2.693 1.00 64.31 H new ATOM 0 HG3 GLU A 469 0.555 18.685 3.011 1.00 64.31 H new ATOM 352 N GLY A 470 0.299 15.661 -1.075 1.00 74.33 N ATOM 353 CA GLY A 470 -0.112 14.567 -1.905 1.00 74.42 C ATOM 354 C GLY A 470 0.437 13.242 -1.467 1.00 52.43 C ATOM 355 O GLY A 470 1.590 13.128 -1.059 1.00 4.23 O ATOM 0 H GLY A 470 0.803 16.404 -1.559 1.00 74.33 H new ATOM 0 HA2 GLY A 470 -1.201 14.516 -1.911 1.00 74.42 H new ATOM 0 HA3 GLY A 470 0.204 14.761 -2.930 1.00 74.42 H new ATOM 359 N LEU A 471 -0.411 12.262 -1.579 1.00 34.42 N ATOM 360 CA LEU A 471 -0.194 10.914 -1.122 1.00 11.02 C ATOM 361 C LEU A 471 0.113 10.856 0.351 1.00 31.34 C ATOM 362 O LEU A 471 1.256 10.920 0.780 1.00 65.22 O ATOM 363 CB LEU A 471 0.799 10.123 -1.957 1.00 3.12 C ATOM 364 CG LEU A 471 0.488 10.015 -3.450 1.00 10.54 C ATOM 365 CD1 LEU A 471 1.339 8.944 -4.090 1.00 35.00 C ATOM 366 CD2 LEU A 471 -1.007 9.811 -3.725 1.00 42.32 C ATOM 0 H LEU A 471 -1.325 12.385 -2.016 1.00 34.42 H new ATOM 0 HA LEU A 471 -1.146 10.406 -1.272 1.00 11.02 H new ATOM 0 HB2 LEU A 471 1.782 10.579 -1.844 1.00 3.12 H new ATOM 0 HB3 LEU A 471 0.866 9.115 -1.547 1.00 3.12 H new ATOM 0 HG LEU A 471 0.745 10.968 -3.912 1.00 10.54 H new ATOM 0 HD11 LEU A 471 1.105 8.880 -5.153 1.00 35.00 H new ATOM 0 HD12 LEU A 471 2.393 9.193 -3.965 1.00 35.00 H new ATOM 0 HD13 LEU A 471 1.134 7.984 -3.615 1.00 35.00 H new ATOM 0 HD21 LEU A 471 -1.173 9.741 -4.800 1.00 42.32 H new ATOM 0 HD22 LEU A 471 -1.343 8.892 -3.245 1.00 42.32 H new ATOM 0 HD23 LEU A 471 -1.569 10.655 -3.326 1.00 42.32 H new ATOM 378 N GLY A 472 -0.930 10.748 1.120 1.00 12.23 N ATOM 379 CA GLY A 472 -0.792 10.731 2.537 1.00 31.13 C ATOM 380 C GLY A 472 -0.941 9.352 3.076 1.00 4.25 C ATOM 381 O GLY A 472 -1.790 9.105 3.907 1.00 50.23 O ATOM 0 H GLY A 472 -1.889 10.670 0.782 1.00 12.23 H new ATOM 0 HA2 GLY A 472 0.184 11.129 2.815 1.00 31.13 H new ATOM 0 HA3 GLY A 472 -1.542 11.383 2.986 1.00 31.13 H new ATOM 385 N PHE A 473 -0.131 8.453 2.599 1.00 12.20 N ATOM 386 CA PHE A 473 -0.166 7.097 3.057 1.00 3.43 C ATOM 387 C PHE A 473 1.229 6.550 3.071 1.00 0.43 C ATOM 388 O PHE A 473 2.055 6.930 2.253 1.00 63.15 O ATOM 389 CB PHE A 473 -1.114 6.206 2.198 1.00 2.21 C ATOM 390 CG PHE A 473 -0.698 5.973 0.755 1.00 2.41 C ATOM 391 CD1 PHE A 473 -0.682 7.011 -0.159 1.00 23.45 C ATOM 392 CD2 PHE A 473 -0.351 4.696 0.312 1.00 74.53 C ATOM 393 CE1 PHE A 473 -0.320 6.791 -1.469 1.00 41.53 C ATOM 394 CE2 PHE A 473 0.010 4.480 -1.010 1.00 24.31 C ATOM 395 CZ PHE A 473 0.023 5.532 -1.889 1.00 73.10 C ATOM 0 H PHE A 473 0.571 8.639 1.883 1.00 12.20 H new ATOM 0 HA PHE A 473 -0.574 7.085 4.068 1.00 3.43 H new ATOM 0 HB2 PHE A 473 -1.208 5.237 2.687 1.00 2.21 H new ATOM 0 HB3 PHE A 473 -2.104 6.661 2.199 1.00 2.21 H new ATOM 0 HD1 PHE A 473 -0.957 8.006 0.159 1.00 23.45 H new ATOM 0 HD2 PHE A 473 -0.364 3.868 1.005 1.00 74.53 H new ATOM 0 HE1 PHE A 473 -0.306 7.614 -2.169 1.00 41.53 H new ATOM 0 HE2 PHE A 473 0.279 3.489 -1.345 1.00 24.31 H new ATOM 0 HZ PHE A 473 0.305 5.368 -2.918 1.00 73.10 H new ATOM 405 N SER A 474 1.500 5.731 4.017 1.00 2.34 N ATOM 406 CA SER A 474 2.766 5.085 4.119 1.00 25.12 C ATOM 407 C SER A 474 2.533 3.594 4.075 1.00 52.34 C ATOM 408 O SER A 474 1.480 3.122 4.503 1.00 11.02 O ATOM 409 CB SER A 474 3.464 5.512 5.407 1.00 35.44 C ATOM 410 OG SER A 474 3.623 6.925 5.426 1.00 5.10 O ATOM 0 H SER A 474 0.843 5.483 4.757 1.00 2.34 H new ATOM 0 HA SER A 474 3.417 5.368 3.292 1.00 25.12 H new ATOM 0 HB2 SER A 474 2.881 5.191 6.270 1.00 35.44 H new ATOM 0 HB3 SER A 474 4.437 5.027 5.482 1.00 35.44 H new ATOM 0 HG SER A 474 4.070 7.193 6.256 1.00 5.10 H new ATOM 416 N ILE A 475 3.474 2.868 3.561 1.00 42.40 N ATOM 417 CA ILE A 475 3.334 1.441 3.378 1.00 73.51 C ATOM 418 C ILE A 475 4.217 0.632 4.323 1.00 1.54 C ATOM 419 O ILE A 475 5.248 1.115 4.816 1.00 30.44 O ATOM 420 CB ILE A 475 3.626 1.031 1.918 1.00 72.44 C ATOM 421 CG1 ILE A 475 4.944 1.659 1.439 1.00 50.04 C ATOM 422 CG2 ILE A 475 2.449 1.359 0.984 1.00 24.12 C ATOM 423 CD1 ILE A 475 5.338 1.263 0.044 1.00 41.21 C ATOM 0 H ILE A 475 4.371 3.242 3.251 1.00 42.40 H new ATOM 0 HA ILE A 475 2.296 1.211 3.617 1.00 73.51 H new ATOM 0 HB ILE A 475 3.744 -0.052 1.886 1.00 72.44 H new ATOM 0 HG12 ILE A 475 4.856 2.744 1.486 1.00 50.04 H new ATOM 0 HG13 ILE A 475 5.741 1.374 2.126 1.00 50.04 H new ATOM 0 HG21 ILE A 475 2.696 1.055 -0.033 1.00 24.12 H new ATOM 0 HG22 ILE A 475 1.560 0.824 1.317 1.00 24.12 H new ATOM 0 HG23 ILE A 475 2.256 2.432 1.005 1.00 24.12 H new ATOM 0 HD11 ILE A 475 6.278 1.747 -0.220 1.00 41.21 H new ATOM 0 HD12 ILE A 475 5.461 0.181 -0.006 1.00 41.21 H new ATOM 0 HD13 ILE A 475 4.561 1.573 -0.655 1.00 41.21 H new ATOM 435 N THR A 476 3.797 -0.576 4.570 1.00 51.33 N ATOM 436 CA THR A 476 4.504 -1.516 5.385 1.00 15.45 C ATOM 437 C THR A 476 4.624 -2.815 4.609 1.00 72.43 C ATOM 438 O THR A 476 3.892 -3.030 3.643 1.00 61.41 O ATOM 439 CB THR A 476 3.798 -1.762 6.765 1.00 32.01 C ATOM 440 OG1 THR A 476 4.523 -2.725 7.533 1.00 23.10 O ATOM 441 CG2 THR A 476 2.363 -2.243 6.582 1.00 3.34 C ATOM 0 H THR A 476 2.922 -0.944 4.195 1.00 51.33 H new ATOM 0 HA THR A 476 5.489 -1.111 5.615 1.00 15.45 H new ATOM 0 HB THR A 476 3.780 -0.809 7.294 1.00 32.01 H new ATOM 0 HG1 THR A 476 4.071 -2.866 8.391 1.00 23.10 H new ATOM 0 HG21 THR A 476 1.906 -2.403 7.558 1.00 3.34 H new ATOM 0 HG22 THR A 476 1.795 -1.492 6.034 1.00 3.34 H new ATOM 0 HG23 THR A 476 2.361 -3.179 6.023 1.00 3.34 H new ATOM 449 N SER A 477 5.547 -3.635 4.983 1.00 24.54 N ATOM 450 CA SER A 477 5.734 -4.894 4.347 1.00 1.42 C ATOM 451 C SER A 477 5.828 -5.973 5.404 1.00 55.31 C ATOM 452 O SER A 477 6.482 -5.780 6.435 1.00 33.21 O ATOM 453 CB SER A 477 6.976 -4.850 3.450 1.00 33.43 C ATOM 454 OG SER A 477 8.112 -4.393 4.169 1.00 32.44 O ATOM 0 H SER A 477 6.198 -3.448 5.745 1.00 24.54 H new ATOM 0 HA SER A 477 4.884 -5.124 3.705 1.00 1.42 H new ATOM 0 HB2 SER A 477 7.173 -5.844 3.047 1.00 33.43 H new ATOM 0 HB3 SER A 477 6.791 -4.193 2.600 1.00 33.43 H new ATOM 0 HG SER A 477 8.891 -4.376 3.574 1.00 32.44 H new ATOM 580 N PRO A 487 5.288 -8.578 0.393 1.00 3.05 N ATOM 581 CA PRO A 487 3.959 -8.038 0.175 1.00 60.21 C ATOM 582 C PRO A 487 3.833 -6.658 0.849 1.00 11.53 C ATOM 583 O PRO A 487 4.257 -6.471 2.013 1.00 11.13 O ATOM 584 CB PRO A 487 3.043 -9.064 0.849 1.00 30.40 C ATOM 585 CG PRO A 487 3.893 -9.688 1.900 1.00 33.05 C ATOM 586 CD PRO A 487 5.279 -9.719 1.334 1.00 34.02 C ATOM 0 HA PRO A 487 3.717 -7.888 -0.877 1.00 60.21 H new ATOM 0 HB2 PRO A 487 2.163 -8.587 1.281 1.00 30.40 H new ATOM 0 HB3 PRO A 487 2.685 -9.806 0.135 1.00 30.40 H new ATOM 0 HG2 PRO A 487 3.860 -9.111 2.824 1.00 33.05 H new ATOM 0 HG3 PRO A 487 3.545 -10.693 2.139 1.00 33.05 H new ATOM 0 HD2 PRO A 487 6.034 -9.605 2.112 1.00 34.02 H new ATOM 0 HD3 PRO A 487 5.485 -10.661 0.826 1.00 34.02 H new ATOM 594 N ILE A 488 3.256 -5.721 0.136 1.00 72.41 N ATOM 595 CA ILE A 488 3.144 -4.350 0.594 1.00 41.24 C ATOM 596 C ILE A 488 1.714 -4.070 1.100 1.00 54.24 C ATOM 597 O ILE A 488 0.734 -4.467 0.472 1.00 43.44 O ATOM 598 CB ILE A 488 3.484 -3.375 -0.566 1.00 13.42 C ATOM 599 CG1 ILE A 488 4.892 -3.652 -1.151 1.00 11.45 C ATOM 600 CG2 ILE A 488 3.371 -1.927 -0.123 1.00 42.45 C ATOM 601 CD1 ILE A 488 6.038 -3.485 -0.166 1.00 72.40 C ATOM 0 H ILE A 488 2.847 -5.885 -0.784 1.00 72.41 H new ATOM 0 HA ILE A 488 3.847 -4.198 1.413 1.00 41.24 H new ATOM 0 HB ILE A 488 2.751 -3.550 -1.354 1.00 13.42 H new ATOM 0 HG12 ILE A 488 4.913 -4.669 -1.542 1.00 11.45 H new ATOM 0 HG13 ILE A 488 5.057 -2.982 -1.995 1.00 11.45 H new ATOM 0 HG21 ILE A 488 3.615 -1.271 -0.958 1.00 42.45 H new ATOM 0 HG22 ILE A 488 2.353 -1.727 0.210 1.00 42.45 H new ATOM 0 HG23 ILE A 488 4.064 -1.743 0.698 1.00 42.45 H new ATOM 0 HD11 ILE A 488 6.982 -3.700 -0.666 1.00 72.40 H new ATOM 0 HD12 ILE A 488 6.050 -2.461 0.208 1.00 72.40 H new ATOM 0 HD13 ILE A 488 5.904 -4.174 0.668 1.00 72.40 H new ATOM 613 N TYR A 489 1.614 -3.396 2.227 1.00 53.54 N ATOM 614 CA TYR A 489 0.340 -3.080 2.858 1.00 12.45 C ATOM 615 C TYR A 489 0.344 -1.634 3.296 1.00 0.34 C ATOM 616 O TYR A 489 1.406 -1.025 3.391 1.00 53.52 O ATOM 617 CB TYR A 489 0.109 -3.997 4.077 1.00 1.31 C ATOM 618 CG TYR A 489 0.047 -5.459 3.718 1.00 13.04 C ATOM 619 CD1 TYR A 489 -1.136 -6.035 3.334 1.00 15.34 C ATOM 620 CD2 TYR A 489 1.183 -6.248 3.728 1.00 54.24 C ATOM 621 CE1 TYR A 489 -1.202 -7.361 2.969 1.00 44.41 C ATOM 622 CE2 TYR A 489 1.131 -7.572 3.358 1.00 4.25 C ATOM 623 CZ TYR A 489 -0.063 -8.124 2.977 1.00 34.40 C ATOM 624 OH TYR A 489 -0.118 -9.443 2.592 1.00 75.53 O ATOM 0 H TYR A 489 2.423 -3.046 2.741 1.00 53.54 H new ATOM 0 HA TYR A 489 -0.466 -3.241 2.142 1.00 12.45 H new ATOM 0 HB2 TYR A 489 0.911 -3.841 4.798 1.00 1.31 H new ATOM 0 HB3 TYR A 489 -0.821 -3.710 4.568 1.00 1.31 H new ATOM 0 HD1 TYR A 489 -2.035 -5.436 3.317 1.00 15.34 H new ATOM 0 HD2 TYR A 489 2.126 -5.818 4.031 1.00 54.24 H new ATOM 0 HE1 TYR A 489 -2.146 -7.798 2.678 1.00 44.41 H new ATOM 0 HE2 TYR A 489 2.028 -8.174 3.368 1.00 4.25 H new ATOM 0 HH TYR A 489 0.776 -9.840 2.654 1.00 75.53 H new ATOM 634 N VAL A 490 -0.814 -1.078 3.557 1.00 5.24 N ATOM 635 CA VAL A 490 -0.892 0.303 3.997 1.00 61.25 C ATOM 636 C VAL A 490 -0.623 0.366 5.501 1.00 51.52 C ATOM 637 O VAL A 490 -1.319 -0.279 6.301 1.00 0.02 O ATOM 638 CB VAL A 490 -2.265 0.954 3.685 1.00 24.35 C ATOM 639 CG1 VAL A 490 -2.237 2.444 4.001 1.00 25.42 C ATOM 640 CG2 VAL A 490 -2.667 0.723 2.238 1.00 14.32 C ATOM 0 H VAL A 490 -1.713 -1.553 3.475 1.00 5.24 H new ATOM 0 HA VAL A 490 -0.139 0.867 3.446 1.00 61.25 H new ATOM 0 HB VAL A 490 -3.012 0.479 4.321 1.00 24.35 H new ATOM 0 HG11 VAL A 490 -3.209 2.882 3.775 1.00 25.42 H new ATOM 0 HG12 VAL A 490 -2.011 2.588 5.058 1.00 25.42 H new ATOM 0 HG13 VAL A 490 -1.471 2.930 3.397 1.00 25.42 H new ATOM 0 HG21 VAL A 490 -3.633 1.191 2.050 1.00 14.32 H new ATOM 0 HG22 VAL A 490 -1.918 1.160 1.578 1.00 14.32 H new ATOM 0 HG23 VAL A 490 -2.739 -0.348 2.047 1.00 14.32 H new ATOM 650 N LYS A 491 0.369 1.136 5.871 1.00 22.42 N ATOM 651 CA LYS A 491 0.810 1.238 7.240 1.00 35.24 C ATOM 652 C LYS A 491 0.064 2.340 7.961 1.00 55.35 C ATOM 653 O LYS A 491 -0.553 2.107 8.987 1.00 65.44 O ATOM 654 CB LYS A 491 2.309 1.544 7.281 1.00 42.24 C ATOM 655 CG LYS A 491 2.926 1.513 8.623 1.00 52.41 C ATOM 656 CD LYS A 491 4.390 1.827 8.505 1.00 75.20 C ATOM 657 CE LYS A 491 5.118 1.391 9.724 1.00 62.23 C ATOM 658 NZ LYS A 491 4.624 2.052 10.956 1.00 42.10 N ATOM 0 H LYS A 491 0.900 1.717 5.222 1.00 22.42 H new ATOM 0 HA LYS A 491 0.610 0.288 7.735 1.00 35.24 H new ATOM 0 HB2 LYS A 491 2.827 0.826 6.645 1.00 42.24 H new ATOM 0 HB3 LYS A 491 2.473 2.530 6.847 1.00 42.24 H new ATOM 0 HG2 LYS A 491 2.439 2.237 9.276 1.00 52.41 H new ATOM 0 HG3 LYS A 491 2.788 0.531 9.076 1.00 52.41 H new ATOM 0 HD2 LYS A 491 4.805 1.328 7.629 1.00 75.20 H new ATOM 0 HD3 LYS A 491 4.527 2.898 8.357 1.00 75.20 H new ATOM 0 HE2 LYS A 491 5.021 0.311 9.833 1.00 62.23 H new ATOM 0 HE3 LYS A 491 6.180 1.605 9.603 1.00 62.23 H new ATOM 0 HZ1 LYS A 491 5.260 1.830 11.748 1.00 42.10 H new ATOM 0 HZ2 LYS A 491 4.598 3.081 10.811 1.00 42.10 H new ATOM 0 HZ3 LYS A 491 3.667 1.709 11.174 1.00 42.10 H new ATOM 672 N ASN A 492 0.110 3.534 7.416 1.00 1.13 N ATOM 673 CA ASN A 492 -0.498 4.678 8.091 1.00 23.14 C ATOM 674 C ASN A 492 -1.047 5.632 7.055 1.00 62.14 C ATOM 675 O ASN A 492 -0.538 5.701 5.930 1.00 40.44 O ATOM 676 CB ASN A 492 0.564 5.429 8.927 1.00 44.32 C ATOM 677 CG ASN A 492 -0.016 6.384 9.997 1.00 13.31 C ATOM 678 OD1 ASN A 492 -1.115 6.908 9.880 1.00 64.12 O ATOM 679 ND2 ASN A 492 0.739 6.621 11.027 1.00 23.14 N ATOM 0 H ASN A 492 0.553 3.746 6.522 1.00 1.13 H new ATOM 0 HA ASN A 492 -1.294 4.319 8.744 1.00 23.14 H new ATOM 0 HB2 ASN A 492 1.203 4.697 9.421 1.00 44.32 H new ATOM 0 HB3 ASN A 492 1.199 6.003 8.252 1.00 44.32 H new ATOM 0 HD21 ASN A 492 0.419 7.255 11.759 1.00 23.14 H new ATOM 0 HD22 ASN A 492 1.652 6.173 11.104 1.00 23.14 H new ATOM 686 N ILE A 493 -2.065 6.332 7.433 1.00 2.43 N ATOM 687 CA ILE A 493 -2.672 7.361 6.647 1.00 25.13 C ATOM 688 C ILE A 493 -2.391 8.687 7.316 1.00 3.32 C ATOM 689 O ILE A 493 -2.866 8.943 8.429 1.00 35.11 O ATOM 690 CB ILE A 493 -4.204 7.143 6.545 1.00 43.32 C ATOM 691 CG1 ILE A 493 -4.512 5.893 5.767 1.00 14.40 C ATOM 692 CG2 ILE A 493 -4.932 8.321 5.942 1.00 34.52 C ATOM 693 CD1 ILE A 493 -4.052 5.903 4.317 1.00 50.30 C ATOM 0 H ILE A 493 -2.518 6.198 8.337 1.00 2.43 H new ATOM 0 HA ILE A 493 -2.261 7.342 5.638 1.00 25.13 H new ATOM 0 HB ILE A 493 -4.566 7.035 7.568 1.00 43.32 H new ATOM 0 HG12 ILE A 493 -4.048 5.046 6.273 1.00 14.40 H new ATOM 0 HG13 ILE A 493 -5.589 5.727 5.789 1.00 14.40 H new ATOM 0 HG21 ILE A 493 -6.000 8.105 5.898 1.00 34.52 H new ATOM 0 HG22 ILE A 493 -4.765 9.205 6.557 1.00 34.52 H new ATOM 0 HG23 ILE A 493 -4.557 8.503 4.935 1.00 34.52 H new ATOM 0 HD11 ILE A 493 -4.321 4.959 3.844 1.00 50.30 H new ATOM 0 HD12 ILE A 493 -4.535 6.724 3.788 1.00 50.30 H new ATOM 0 HD13 ILE A 493 -2.970 6.033 4.279 1.00 50.30 H new ATOM 705 N LEU A 494 -1.573 9.484 6.678 1.00 54.30 N ATOM 706 CA LEU A 494 -1.263 10.809 7.164 1.00 40.44 C ATOM 707 C LEU A 494 -2.540 11.647 7.195 1.00 64.45 C ATOM 708 O LEU A 494 -3.189 11.844 6.155 1.00 21.20 O ATOM 709 CB LEU A 494 -0.161 11.503 6.320 1.00 25.20 C ATOM 710 CG LEU A 494 1.281 10.920 6.386 1.00 0.14 C ATOM 711 CD1 LEU A 494 1.805 10.898 7.810 1.00 54.24 C ATOM 712 CD2 LEU A 494 1.386 9.544 5.744 1.00 2.33 C ATOM 0 H LEU A 494 -1.102 9.236 5.808 1.00 54.30 H new ATOM 0 HA LEU A 494 -0.863 10.717 8.174 1.00 40.44 H new ATOM 0 HB2 LEU A 494 -0.480 11.490 5.278 1.00 25.20 H new ATOM 0 HB3 LEU A 494 -0.114 12.548 6.626 1.00 25.20 H new ATOM 0 HG LEU A 494 1.912 11.590 5.802 1.00 0.14 H new ATOM 0 HD11 LEU A 494 2.814 10.485 7.820 1.00 54.24 H new ATOM 0 HD12 LEU A 494 1.824 11.913 8.206 1.00 54.24 H new ATOM 0 HD13 LEU A 494 1.154 10.280 8.428 1.00 54.24 H new ATOM 0 HD21 LEU A 494 2.413 9.185 5.818 1.00 2.33 H new ATOM 0 HD22 LEU A 494 0.721 8.851 6.259 1.00 2.33 H new ATOM 0 HD23 LEU A 494 1.100 9.609 4.694 1.00 2.33 H new ATOM 724 N PRO A 495 -2.877 12.194 8.380 1.00 14.44 N ATOM 725 CA PRO A 495 -4.178 12.886 8.669 1.00 50.41 C ATOM 726 C PRO A 495 -4.366 14.218 7.956 1.00 34.33 C ATOM 727 O PRO A 495 -5.173 15.038 8.372 1.00 15.30 O ATOM 728 CB PRO A 495 -4.069 13.149 10.167 1.00 23.35 C ATOM 729 CG PRO A 495 -2.613 13.291 10.393 1.00 75.33 C ATOM 730 CD PRO A 495 -2.000 12.215 9.572 1.00 52.33 C ATOM 0 HA PRO A 495 -5.020 12.279 8.336 1.00 50.41 H new ATOM 0 HB2 PRO A 495 -4.609 14.051 10.456 1.00 23.35 H new ATOM 0 HB3 PRO A 495 -4.486 12.328 10.749 1.00 23.35 H new ATOM 0 HG2 PRO A 495 -2.258 14.275 10.086 1.00 75.33 H new ATOM 0 HG3 PRO A 495 -2.362 13.177 11.448 1.00 75.33 H new ATOM 0 HD2 PRO A 495 -0.966 12.440 9.313 1.00 52.33 H new ATOM 0 HD3 PRO A 495 -1.997 11.257 10.092 1.00 52.33 H new ATOM 738 N ARG A 496 -3.665 14.415 6.888 1.00 71.12 N ATOM 739 CA ARG A 496 -3.727 15.666 6.172 1.00 33.24 C ATOM 740 C ARG A 496 -3.238 15.548 4.730 1.00 75.11 C ATOM 741 O ARG A 496 -3.305 16.508 3.959 1.00 4.30 O ATOM 742 CB ARG A 496 -2.958 16.700 6.927 1.00 1.42 C ATOM 743 CG ARG A 496 -1.574 16.217 7.310 1.00 63.02 C ATOM 744 CD ARG A 496 -0.805 17.243 8.086 1.00 54.24 C ATOM 745 NE ARG A 496 0.482 16.708 8.517 1.00 71.13 N ATOM 746 CZ ARG A 496 1.424 17.398 9.135 1.00 31.44 C ATOM 747 NH1 ARG A 496 1.256 18.696 9.383 1.00 1.11 N ATOM 748 NH2 ARG A 496 2.544 16.791 9.500 1.00 45.44 N ATOM 0 H ARG A 496 -3.034 13.724 6.482 1.00 71.12 H new ATOM 0 HA ARG A 496 -4.773 15.966 6.103 1.00 33.24 H new ATOM 0 HB2 ARG A 496 -2.871 17.601 6.320 1.00 1.42 H new ATOM 0 HB3 ARG A 496 -3.508 16.974 7.828 1.00 1.42 H new ATOM 0 HG2 ARG A 496 -1.661 15.307 7.903 1.00 63.02 H new ATOM 0 HG3 ARG A 496 -1.020 15.958 6.408 1.00 63.02 H new ATOM 0 HD2 ARG A 496 -0.648 18.129 7.471 1.00 54.24 H new ATOM 0 HD3 ARG A 496 -1.383 17.557 8.955 1.00 54.24 H new ATOM 0 HE ARG A 496 0.669 15.724 8.326 1.00 71.13 H new ATOM 0 HH11 ARG A 496 0.396 19.163 9.095 1.00 1.11 H new ATOM 0 HH12 ARG A 496 1.987 19.223 9.861 1.00 1.11 H new ATOM 0 HH21 ARG A 496 2.674 15.799 9.303 1.00 45.44 H new ATOM 0 HH22 ARG A 496 3.276 17.316 9.978 1.00 45.44 H new ATOM 762 N GLY A 497 -2.780 14.371 4.361 1.00 32.33 N ATOM 763 CA GLY A 497 -2.306 14.175 3.003 1.00 13.51 C ATOM 764 C GLY A 497 -3.433 13.846 2.034 1.00 44.41 C ATOM 765 O GLY A 497 -4.589 13.954 2.397 1.00 12.31 O ATOM 0 H GLY A 497 -2.725 13.551 4.965 1.00 32.33 H new ATOM 0 HA2 GLY A 497 -1.794 15.076 2.667 1.00 13.51 H new ATOM 0 HA3 GLY A 497 -1.573 13.368 2.990 1.00 13.51 H new ATOM 769 N ALA A 498 -3.100 13.399 0.798 1.00 20.32 N ATOM 770 CA ALA A 498 -4.113 13.154 -0.223 1.00 52.51 C ATOM 771 C ALA A 498 -5.157 12.160 0.248 1.00 31.30 C ATOM 772 O ALA A 498 -6.331 12.297 -0.059 1.00 53.13 O ATOM 773 CB ALA A 498 -3.484 12.628 -1.489 1.00 22.40 C ATOM 0 H ALA A 498 -2.144 13.207 0.499 1.00 20.32 H new ATOM 0 HA ALA A 498 -4.597 14.111 -0.419 1.00 52.51 H new ATOM 0 HB1 ALA A 498 -4.259 12.453 -2.235 1.00 22.40 H new ATOM 0 HB2 ALA A 498 -2.771 13.358 -1.871 1.00 22.40 H new ATOM 0 HB3 ALA A 498 -2.967 11.692 -1.277 1.00 22.40 H new ATOM 779 N ALA A 499 -4.708 11.184 1.046 1.00 20.11 N ATOM 780 CA ALA A 499 -5.542 10.072 1.485 1.00 74.04 C ATOM 781 C ALA A 499 -6.779 10.539 2.222 1.00 33.43 C ATOM 782 O ALA A 499 -7.857 10.054 1.965 1.00 44.45 O ATOM 783 CB ALA A 499 -4.737 9.121 2.339 1.00 64.15 C ATOM 0 H ALA A 499 -3.753 11.148 1.403 1.00 20.11 H new ATOM 0 HA ALA A 499 -5.884 9.547 0.593 1.00 74.04 H new ATOM 0 HB1 ALA A 499 -5.371 8.295 2.661 1.00 64.15 H new ATOM 0 HB2 ALA A 499 -3.900 8.732 1.760 1.00 64.15 H new ATOM 0 HB3 ALA A 499 -4.358 9.649 3.214 1.00 64.15 H new ATOM 789 N ILE A 500 -6.610 11.484 3.119 1.00 32.30 N ATOM 790 CA ILE A 500 -7.720 12.038 3.876 1.00 21.42 C ATOM 791 C ILE A 500 -8.503 13.053 3.052 1.00 33.44 C ATOM 792 O ILE A 500 -9.721 13.189 3.213 1.00 52.23 O ATOM 793 CB ILE A 500 -7.231 12.674 5.181 1.00 33.42 C ATOM 794 CG1 ILE A 500 -8.378 13.248 6.005 1.00 33.53 C ATOM 795 CG2 ILE A 500 -6.190 13.724 4.916 1.00 63.40 C ATOM 796 CD1 ILE A 500 -7.911 13.905 7.269 1.00 54.04 C ATOM 0 H ILE A 500 -5.704 11.892 3.347 1.00 32.30 H new ATOM 0 HA ILE A 500 -8.390 11.214 4.123 1.00 21.42 H new ATOM 0 HB ILE A 500 -6.775 11.878 5.769 1.00 33.42 H new ATOM 0 HG12 ILE A 500 -8.924 13.974 5.403 1.00 33.53 H new ATOM 0 HG13 ILE A 500 -9.077 12.449 6.253 1.00 33.53 H new ATOM 0 HG21 ILE A 500 -5.862 14.158 5.861 1.00 63.40 H new ATOM 0 HG22 ILE A 500 -5.338 13.272 4.409 1.00 63.40 H new ATOM 0 HG23 ILE A 500 -6.614 14.506 4.286 1.00 63.40 H new ATOM 0 HD11 ILE A 500 -8.770 14.295 7.815 1.00 54.04 H new ATOM 0 HD12 ILE A 500 -7.389 13.175 7.887 1.00 54.04 H new ATOM 0 HD13 ILE A 500 -7.234 14.723 7.025 1.00 54.04 H new ATOM 808 N GLN A 501 -7.801 13.750 2.151 1.00 73.14 N ATOM 809 CA GLN A 501 -8.430 14.749 1.311 1.00 43.10 C ATOM 810 C GLN A 501 -9.473 14.095 0.432 1.00 22.52 C ATOM 811 O GLN A 501 -10.584 14.604 0.284 1.00 14.42 O ATOM 812 CB GLN A 501 -7.409 15.504 0.450 1.00 5.41 C ATOM 813 CG GLN A 501 -6.298 16.199 1.235 1.00 12.33 C ATOM 814 CD GLN A 501 -6.814 17.125 2.317 1.00 31.24 C ATOM 815 OE1 GLN A 501 -7.899 17.689 2.210 1.00 42.53 O ATOM 816 NE2 GLN A 501 -6.037 17.305 3.355 1.00 21.21 N ATOM 0 H GLN A 501 -6.800 13.634 1.993 1.00 73.14 H new ATOM 0 HA GLN A 501 -8.906 15.480 1.964 1.00 43.10 H new ATOM 0 HB2 GLN A 501 -6.956 14.802 -0.250 1.00 5.41 H new ATOM 0 HB3 GLN A 501 -7.937 16.250 -0.144 1.00 5.41 H new ATOM 0 HG2 GLN A 501 -5.657 15.443 1.689 1.00 12.33 H new ATOM 0 HG3 GLN A 501 -5.678 16.770 0.544 1.00 12.33 H new ATOM 0 HE21 GLN A 501 -5.141 16.820 3.412 1.00 21.21 H new ATOM 0 HE22 GLN A 501 -6.327 17.930 4.107 1.00 21.21 H new ATOM 825 N ASP A 502 -9.124 12.943 -0.130 1.00 44.52 N ATOM 826 CA ASP A 502 -10.080 12.203 -0.933 1.00 40.22 C ATOM 827 C ASP A 502 -10.923 11.413 0.015 1.00 21.42 C ATOM 828 O ASP A 502 -12.135 11.324 -0.141 1.00 64.20 O ATOM 829 CB ASP A 502 -9.403 11.257 -1.913 1.00 20.14 C ATOM 830 CG ASP A 502 -10.333 10.784 -2.998 1.00 54.01 C ATOM 831 OD1 ASP A 502 -10.410 11.461 -4.054 1.00 23.33 O ATOM 832 OD2 ASP A 502 -10.987 9.748 -2.831 1.00 25.15 O ATOM 0 H ASP A 502 -8.204 12.511 -0.045 1.00 44.52 H new ATOM 0 HA ASP A 502 -10.669 12.902 -1.526 1.00 40.22 H new ATOM 0 HB2 ASP A 502 -8.548 11.760 -2.366 1.00 20.14 H new ATOM 0 HB3 ASP A 502 -9.015 10.395 -1.371 1.00 20.14 H new ATOM 837 N GLY A 503 -10.260 10.832 1.027 1.00 12.14 N ATOM 838 CA GLY A 503 -10.957 10.150 2.068 1.00 15.11 C ATOM 839 C GLY A 503 -11.290 8.713 1.778 1.00 11.41 C ATOM 840 O GLY A 503 -11.758 7.983 2.646 1.00 75.23 O ATOM 0 H GLY A 503 -9.245 10.834 1.124 1.00 12.14 H new ATOM 0 HA2 GLY A 503 -10.354 10.191 2.975 1.00 15.11 H new ATOM 0 HA3 GLY A 503 -11.883 10.686 2.276 1.00 15.11 H new ATOM 844 N ARG A 504 -11.048 8.309 0.584 1.00 4.41 N ATOM 845 CA ARG A 504 -11.417 6.996 0.138 1.00 62.21 C ATOM 846 C ARG A 504 -10.339 5.955 0.480 1.00 41.41 C ATOM 847 O ARG A 504 -10.613 4.753 0.540 1.00 63.02 O ATOM 848 CB ARG A 504 -11.673 7.083 -1.348 1.00 34.53 C ATOM 849 CG ARG A 504 -12.137 5.831 -2.022 1.00 62.45 C ATOM 850 CD ARG A 504 -12.400 6.137 -3.467 1.00 12.44 C ATOM 851 NE ARG A 504 -12.766 4.953 -4.235 1.00 44.53 N ATOM 852 CZ ARG A 504 -12.725 4.877 -5.564 1.00 25.14 C ATOM 853 NH1 ARG A 504 -12.333 5.930 -6.281 1.00 40.34 N ATOM 854 NH2 ARG A 504 -13.077 3.757 -6.181 1.00 54.01 N ATOM 0 H ARG A 504 -10.585 8.878 -0.125 1.00 4.41 H new ATOM 0 HA ARG A 504 -12.317 6.659 0.652 1.00 62.21 H new ATOM 0 HB2 ARG A 504 -12.419 7.859 -1.520 1.00 34.53 H new ATOM 0 HB3 ARG A 504 -10.754 7.411 -1.833 1.00 34.53 H new ATOM 0 HG2 ARG A 504 -11.382 5.050 -1.932 1.00 62.45 H new ATOM 0 HG3 ARG A 504 -13.042 5.456 -1.543 1.00 62.45 H new ATOM 0 HD2 ARG A 504 -13.201 6.873 -3.538 1.00 12.44 H new ATOM 0 HD3 ARG A 504 -11.511 6.589 -3.906 1.00 12.44 H new ATOM 0 HE ARG A 504 -13.074 4.128 -3.720 1.00 44.53 H new ATOM 0 HH11 ARG A 504 -12.064 6.795 -5.812 1.00 40.34 H new ATOM 0 HH12 ARG A 504 -12.302 5.871 -7.299 1.00 40.34 H new ATOM 0 HH21 ARG A 504 -13.381 2.949 -5.637 1.00 54.01 H new ATOM 0 HH22 ARG A 504 -13.044 3.704 -7.199 1.00 54.01 H new ATOM 868 N LEU A 505 -9.146 6.414 0.740 1.00 60.52 N ATOM 869 CA LEU A 505 -8.035 5.532 1.051 1.00 1.12 C ATOM 870 C LEU A 505 -7.792 5.506 2.558 1.00 64.01 C ATOM 871 O LEU A 505 -7.724 6.563 3.194 1.00 25.34 O ATOM 872 CB LEU A 505 -6.775 6.021 0.321 1.00 25.34 C ATOM 873 CG LEU A 505 -5.498 5.191 0.507 1.00 72.01 C ATOM 874 CD1 LEU A 505 -5.678 3.782 -0.041 1.00 70.22 C ATOM 875 CD2 LEU A 505 -4.322 5.881 -0.162 1.00 73.32 C ATOM 0 H LEU A 505 -8.908 7.406 0.745 1.00 60.52 H new ATOM 0 HA LEU A 505 -8.273 4.521 0.720 1.00 1.12 H new ATOM 0 HB2 LEU A 505 -6.997 6.067 -0.745 1.00 25.34 H new ATOM 0 HB3 LEU A 505 -6.568 7.040 0.648 1.00 25.34 H new ATOM 0 HG LEU A 505 -5.294 5.110 1.575 1.00 72.01 H new ATOM 0 HD11 LEU A 505 -4.758 3.215 0.104 1.00 70.22 H new ATOM 0 HD12 LEU A 505 -6.495 3.288 0.485 1.00 70.22 H new ATOM 0 HD13 LEU A 505 -5.910 3.832 -1.105 1.00 70.22 H new ATOM 0 HD21 LEU A 505 -3.422 5.282 -0.023 1.00 73.32 H new ATOM 0 HD22 LEU A 505 -4.523 5.992 -1.228 1.00 73.32 H new ATOM 0 HD23 LEU A 505 -4.176 6.865 0.284 1.00 73.32 H new ATOM 887 N LYS A 506 -7.687 4.312 3.125 1.00 62.02 N ATOM 888 CA LYS A 506 -7.384 4.171 4.542 1.00 22.31 C ATOM 889 C LYS A 506 -6.314 3.103 4.782 1.00 51.13 C ATOM 890 O LYS A 506 -5.929 2.379 3.859 1.00 74.02 O ATOM 891 CB LYS A 506 -8.618 3.917 5.444 1.00 13.31 C ATOM 892 CG LYS A 506 -9.415 2.635 5.180 1.00 71.13 C ATOM 893 CD LYS A 506 -10.227 2.688 3.898 1.00 41.21 C ATOM 894 CE LYS A 506 -11.280 3.776 3.958 1.00 70.21 C ATOM 895 NZ LYS A 506 -12.111 3.793 2.748 1.00 4.34 N ATOM 0 H LYS A 506 -7.807 3.430 2.627 1.00 62.02 H new ATOM 0 HA LYS A 506 -6.995 5.145 4.840 1.00 22.31 H new ATOM 0 HB2 LYS A 506 -8.283 3.901 6.481 1.00 13.31 H new ATOM 0 HB3 LYS A 506 -9.295 4.765 5.340 1.00 13.31 H new ATOM 0 HG2 LYS A 506 -8.727 1.791 5.132 1.00 71.13 H new ATOM 0 HG3 LYS A 506 -10.086 2.452 6.020 1.00 71.13 H new ATOM 0 HD2 LYS A 506 -9.564 2.867 3.052 1.00 41.21 H new ATOM 0 HD3 LYS A 506 -10.706 1.724 3.728 1.00 41.21 H new ATOM 0 HE2 LYS A 506 -11.913 3.623 4.832 1.00 70.21 H new ATOM 0 HE3 LYS A 506 -10.796 4.745 4.081 1.00 70.21 H new ATOM 0 HZ1 LYS A 506 -12.930 4.416 2.898 1.00 4.34 H new ATOM 0 HZ2 LYS A 506 -11.550 4.145 1.946 1.00 4.34 H new ATOM 0 HZ3 LYS A 506 -12.443 2.829 2.541 1.00 4.34 H new ATOM 909 N ALA A 507 -5.843 3.011 6.013 1.00 73.33 N ATOM 910 CA ALA A 507 -4.781 2.089 6.357 1.00 42.14 C ATOM 911 C ALA A 507 -5.336 0.813 6.933 1.00 44.32 C ATOM 912 O ALA A 507 -6.161 0.838 7.853 1.00 33.43 O ATOM 913 CB ALA A 507 -3.816 2.728 7.340 1.00 34.21 C ATOM 0 H ALA A 507 -6.184 3.570 6.795 1.00 73.33 H new ATOM 0 HA ALA A 507 -4.242 1.846 5.441 1.00 42.14 H new ATOM 0 HB1 ALA A 507 -3.025 2.019 7.586 1.00 34.21 H new ATOM 0 HB2 ALA A 507 -3.378 3.620 6.892 1.00 34.21 H new ATOM 0 HB3 ALA A 507 -4.352 3.004 8.248 1.00 34.21 H new ATOM 919 N GLY A 508 -4.869 -0.295 6.412 1.00 2.13 N ATOM 920 CA GLY A 508 -5.322 -1.576 6.872 1.00 54.45 C ATOM 921 C GLY A 508 -5.408 -2.566 5.745 1.00 2.42 C ATOM 922 O GLY A 508 -5.341 -3.773 5.964 1.00 61.44 O ATOM 0 H GLY A 508 -4.173 -0.331 5.667 1.00 2.13 H new ATOM 0 HA2 GLY A 508 -4.641 -1.951 7.636 1.00 54.45 H new ATOM 0 HA3 GLY A 508 -6.300 -1.470 7.341 1.00 54.45 H new ATOM 926 N ASP A 509 -5.539 -2.058 4.541 1.00 70.24 N ATOM 927 CA ASP A 509 -5.674 -2.912 3.368 1.00 25.21 C ATOM 928 C ASP A 509 -4.325 -3.174 2.725 1.00 74.33 C ATOM 929 O ASP A 509 -3.300 -2.565 3.108 1.00 70.23 O ATOM 930 CB ASP A 509 -6.620 -2.293 2.328 1.00 64.21 C ATOM 931 CG ASP A 509 -8.001 -2.024 2.864 1.00 30.34 C ATOM 932 OD1 ASP A 509 -8.771 -2.977 3.078 1.00 21.43 O ATOM 933 OD2 ASP A 509 -8.351 -0.843 3.060 1.00 2.14 O ATOM 0 H ASP A 509 -5.556 -1.058 4.341 1.00 70.24 H new ATOM 0 HA ASP A 509 -6.097 -3.856 3.710 1.00 25.21 H new ATOM 0 HB2 ASP A 509 -6.190 -1.359 1.966 1.00 64.21 H new ATOM 0 HB3 ASP A 509 -6.695 -2.962 1.471 1.00 64.21 H new ATOM 938 N ARG A 510 -4.319 -4.063 1.753 1.00 74.34 N ATOM 939 CA ARG A 510 -3.117 -4.399 1.024 1.00 34.14 C ATOM 940 C ARG A 510 -3.012 -3.567 -0.217 1.00 53.42 C ATOM 941 O ARG A 510 -4.002 -3.349 -0.904 1.00 12.01 O ATOM 942 CB ARG A 510 -3.093 -5.890 0.647 1.00 12.51 C ATOM 943 CG ARG A 510 -1.888 -6.291 -0.209 1.00 1.40 C ATOM 944 CD ARG A 510 -1.894 -7.759 -0.540 1.00 72.40 C ATOM 945 NE ARG A 510 -0.775 -8.146 -1.411 1.00 24.34 N ATOM 946 CZ ARG A 510 -0.103 -9.305 -1.311 1.00 23.00 C ATOM 947 NH1 ARG A 510 -0.274 -10.097 -0.258 1.00 25.20 N ATOM 948 NH2 ARG A 510 0.773 -9.652 -2.246 1.00 3.24 N ATOM 0 H ARG A 510 -5.148 -4.572 1.447 1.00 74.34 H new ATOM 0 HA ARG A 510 -2.266 -4.192 1.673 1.00 34.14 H new ATOM 0 HB2 ARG A 510 -3.093 -6.486 1.560 1.00 12.51 H new ATOM 0 HB3 ARG A 510 -4.008 -6.134 0.107 1.00 12.51 H new ATOM 0 HG2 ARG A 510 -1.890 -5.711 -1.132 1.00 1.40 H new ATOM 0 HG3 ARG A 510 -0.968 -6.043 0.321 1.00 1.40 H new ATOM 0 HD2 ARG A 510 -1.847 -8.336 0.383 1.00 72.40 H new ATOM 0 HD3 ARG A 510 -2.835 -8.014 -1.028 1.00 72.40 H new ATOM 0 HE ARG A 510 -0.490 -7.491 -2.139 1.00 24.34 H new ATOM 0 HH11 ARG A 510 -0.920 -9.827 0.484 1.00 25.20 H new ATOM 0 HH12 ARG A 510 0.241 -10.975 -0.191 1.00 25.20 H new ATOM 0 HH21 ARG A 510 0.938 -9.038 -3.044 1.00 3.24 H new ATOM 0 HH22 ARG A 510 1.281 -10.533 -2.167 1.00 3.24 H new ATOM 962 N LEU A 511 -1.831 -3.107 -0.508 1.00 31.55 N ATOM 963 CA LEU A 511 -1.610 -2.355 -1.680 1.00 50.33 C ATOM 964 C LEU A 511 -1.247 -3.377 -2.775 1.00 21.32 C ATOM 965 O LEU A 511 -0.397 -4.243 -2.554 1.00 61.22 O ATOM 966 CB LEU A 511 -0.441 -1.382 -1.437 1.00 24.51 C ATOM 967 CG LEU A 511 -0.555 0.016 -2.078 1.00 53.45 C ATOM 968 CD1 LEU A 511 -0.787 -0.045 -3.576 1.00 2.42 C ATOM 969 CD2 LEU A 511 -1.644 0.813 -1.397 1.00 73.15 C ATOM 0 H LEU A 511 -1.002 -3.249 0.069 1.00 31.55 H new ATOM 0 HA LEU A 511 -2.481 -1.768 -1.970 1.00 50.33 H new ATOM 0 HB2 LEU A 511 -0.324 -1.254 -0.361 1.00 24.51 H new ATOM 0 HB3 LEU A 511 0.473 -1.850 -1.803 1.00 24.51 H new ATOM 0 HG LEU A 511 0.402 0.518 -1.933 1.00 53.45 H new ATOM 0 HD11 LEU A 511 -0.859 0.967 -3.974 1.00 2.42 H new ATOM 0 HD12 LEU A 511 0.045 -0.564 -4.052 1.00 2.42 H new ATOM 0 HD13 LEU A 511 -1.714 -0.582 -3.779 1.00 2.42 H new ATOM 0 HD21 LEU A 511 -1.716 1.798 -1.857 1.00 73.15 H new ATOM 0 HD22 LEU A 511 -2.596 0.293 -1.503 1.00 73.15 H new ATOM 0 HD23 LEU A 511 -1.407 0.923 -0.339 1.00 73.15 H new ATOM 981 N ILE A 512 -1.915 -3.336 -3.899 1.00 43.22 N ATOM 982 CA ILE A 512 -1.600 -4.252 -4.992 1.00 74.32 C ATOM 983 C ILE A 512 -0.679 -3.583 -5.973 1.00 11.00 C ATOM 984 O ILE A 512 0.368 -4.122 -6.332 1.00 33.04 O ATOM 985 CB ILE A 512 -2.869 -4.766 -5.726 1.00 43.42 C ATOM 986 CG1 ILE A 512 -3.781 -5.528 -4.755 1.00 54.04 C ATOM 987 CG2 ILE A 512 -2.483 -5.670 -6.906 1.00 64.30 C ATOM 988 CD1 ILE A 512 -3.148 -6.776 -4.164 1.00 31.55 C ATOM 0 H ILE A 512 -2.678 -2.687 -4.092 1.00 43.22 H new ATOM 0 HA ILE A 512 -1.109 -5.120 -4.551 1.00 74.32 H new ATOM 0 HB ILE A 512 -3.411 -3.903 -6.112 1.00 43.42 H new ATOM 0 HG12 ILE A 512 -4.069 -4.860 -3.943 1.00 54.04 H new ATOM 0 HG13 ILE A 512 -4.696 -5.809 -5.277 1.00 54.04 H new ATOM 0 HG21 ILE A 512 -3.386 -6.020 -7.407 1.00 64.30 H new ATOM 0 HG22 ILE A 512 -1.872 -5.107 -7.611 1.00 64.30 H new ATOM 0 HG23 ILE A 512 -1.917 -6.526 -6.539 1.00 64.30 H new ATOM 0 HD11 ILE A 512 -3.855 -7.258 -3.489 1.00 31.55 H new ATOM 0 HD12 ILE A 512 -2.885 -7.465 -4.966 1.00 31.55 H new ATOM 0 HD13 ILE A 512 -2.249 -6.502 -3.612 1.00 31.55 H new ATOM 1000 N GLU A 513 -1.055 -2.413 -6.390 1.00 3.51 N ATOM 1001 CA GLU A 513 -0.274 -1.652 -7.310 1.00 2.53 C ATOM 1002 C GLU A 513 -0.638 -0.192 -7.184 1.00 0.23 C ATOM 1003 O GLU A 513 -1.790 0.151 -6.879 1.00 55.04 O ATOM 1004 CB GLU A 513 -0.454 -2.172 -8.754 1.00 14.44 C ATOM 1005 CG GLU A 513 -1.877 -2.143 -9.270 1.00 51.15 C ATOM 1006 CD GLU A 513 -2.002 -2.720 -10.654 1.00 63.53 C ATOM 1007 OE1 GLU A 513 -2.054 -3.955 -10.787 1.00 15.52 O ATOM 1008 OE2 GLU A 513 -2.055 -1.943 -11.632 1.00 75.44 O ATOM 0 H GLU A 513 -1.920 -1.958 -6.098 1.00 3.51 H new ATOM 0 HA GLU A 513 0.783 -1.765 -7.069 1.00 2.53 H new ATOM 0 HB2 GLU A 513 0.170 -1.576 -9.420 1.00 14.44 H new ATOM 0 HB3 GLU A 513 -0.086 -3.197 -8.804 1.00 14.44 H new ATOM 0 HG2 GLU A 513 -2.518 -2.701 -8.588 1.00 51.15 H new ATOM 0 HG3 GLU A 513 -2.237 -1.114 -9.275 1.00 51.15 H new ATOM 1015 N VAL A 514 0.325 0.650 -7.365 1.00 24.10 N ATOM 1016 CA VAL A 514 0.148 2.049 -7.278 1.00 45.22 C ATOM 1017 C VAL A 514 0.653 2.709 -8.550 1.00 74.45 C ATOM 1018 O VAL A 514 1.737 2.397 -9.048 1.00 45.32 O ATOM 1019 CB VAL A 514 0.817 2.647 -5.989 1.00 54.44 C ATOM 1020 CG1 VAL A 514 2.253 2.255 -5.904 1.00 35.15 C ATOM 1021 CG2 VAL A 514 0.720 4.152 -5.959 1.00 52.53 C ATOM 0 H VAL A 514 1.281 0.369 -7.583 1.00 24.10 H new ATOM 0 HA VAL A 514 -0.917 2.260 -7.184 1.00 45.22 H new ATOM 0 HB VAL A 514 0.274 2.241 -5.135 1.00 54.44 H new ATOM 0 HG11 VAL A 514 2.694 2.681 -5.003 1.00 35.15 H new ATOM 0 HG12 VAL A 514 2.332 1.168 -5.867 1.00 35.15 H new ATOM 0 HG13 VAL A 514 2.784 2.628 -6.779 1.00 35.15 H new ATOM 0 HG21 VAL A 514 1.194 4.529 -5.053 1.00 52.53 H new ATOM 0 HG22 VAL A 514 1.225 4.567 -6.832 1.00 52.53 H new ATOM 0 HG23 VAL A 514 -0.329 4.449 -5.971 1.00 52.53 H new ATOM 1031 N ASN A 515 -0.188 3.555 -9.091 1.00 12.32 N ATOM 1032 CA ASN A 515 0.037 4.337 -10.288 1.00 55.32 C ATOM 1033 C ASN A 515 0.249 3.427 -11.527 1.00 32.14 C ATOM 1034 O ASN A 515 0.769 3.846 -12.558 1.00 71.44 O ATOM 1035 CB ASN A 515 1.206 5.299 -10.051 1.00 63.44 C ATOM 1036 CG ASN A 515 1.189 6.464 -10.984 1.00 55.31 C ATOM 1037 OD1 ASN A 515 1.801 6.460 -12.044 1.00 11.02 O ATOM 1038 ND2 ASN A 515 0.472 7.478 -10.590 1.00 30.03 N ATOM 0 H ASN A 515 -1.107 3.729 -8.684 1.00 12.32 H new ATOM 0 HA ASN A 515 -0.850 4.932 -10.506 1.00 55.32 H new ATOM 0 HB2 ASN A 515 1.171 5.661 -9.023 1.00 63.44 H new ATOM 0 HB3 ASN A 515 2.146 4.759 -10.167 1.00 63.44 H new ATOM 0 HD21 ASN A 515 0.404 8.312 -11.173 1.00 30.03 H new ATOM 0 HD22 ASN A 515 -0.022 7.438 -9.698 1.00 30.03 H new ATOM 1045 N GLY A 516 -0.201 2.188 -11.417 1.00 63.31 N ATOM 1046 CA GLY A 516 -0.103 1.264 -12.525 1.00 11.45 C ATOM 1047 C GLY A 516 1.118 0.376 -12.462 1.00 3.23 C ATOM 1048 O GLY A 516 1.350 -0.435 -13.364 1.00 53.21 O ATOM 0 H GLY A 516 -0.634 1.805 -10.577 1.00 63.31 H new ATOM 0 HA2 GLY A 516 -0.996 0.640 -12.547 1.00 11.45 H new ATOM 0 HA3 GLY A 516 -0.085 1.828 -13.458 1.00 11.45 H new ATOM 1052 N VAL A 517 1.903 0.511 -11.418 1.00 1.00 N ATOM 1053 CA VAL A 517 3.096 -0.295 -11.275 1.00 71.03 C ATOM 1054 C VAL A 517 2.905 -1.297 -10.140 1.00 23.43 C ATOM 1055 O VAL A 517 2.376 -0.943 -9.078 1.00 51.14 O ATOM 1056 CB VAL A 517 4.348 0.579 -11.027 1.00 74.24 C ATOM 1057 CG1 VAL A 517 5.595 -0.273 -10.944 1.00 3.12 C ATOM 1058 CG2 VAL A 517 4.496 1.614 -12.124 1.00 61.02 C ATOM 0 H VAL A 517 1.739 1.169 -10.656 1.00 1.00 H new ATOM 0 HA VAL A 517 3.259 -0.834 -12.208 1.00 71.03 H new ATOM 0 HB VAL A 517 4.218 1.091 -10.073 1.00 74.24 H new ATOM 0 HG11 VAL A 517 6.461 0.366 -10.769 1.00 3.12 H new ATOM 0 HG12 VAL A 517 5.496 -0.983 -10.123 1.00 3.12 H new ATOM 0 HG13 VAL A 517 5.728 -0.816 -11.880 1.00 3.12 H new ATOM 0 HG21 VAL A 517 5.382 2.221 -11.935 1.00 61.02 H new ATOM 0 HG22 VAL A 517 4.599 1.112 -13.086 1.00 61.02 H new ATOM 0 HG23 VAL A 517 3.614 2.255 -12.141 1.00 61.02 H new ATOM 1068 N ASP A 518 3.354 -2.525 -10.362 1.00 54.04 N ATOM 1069 CA ASP A 518 3.130 -3.618 -9.431 1.00 33.14 C ATOM 1070 C ASP A 518 4.177 -3.601 -8.357 1.00 23.42 C ATOM 1071 O ASP A 518 5.326 -3.194 -8.593 1.00 3.23 O ATOM 1072 CB ASP A 518 3.115 -4.963 -10.161 1.00 11.11 C ATOM 1073 CG ASP A 518 2.792 -6.123 -9.245 1.00 75.02 C ATOM 1074 OD1 ASP A 518 1.605 -6.310 -8.903 1.00 41.01 O ATOM 1075 OD2 ASP A 518 3.699 -6.872 -8.871 1.00 32.31 O ATOM 0 H ASP A 518 3.883 -2.789 -11.193 1.00 54.04 H new ATOM 0 HA ASP A 518 2.154 -3.484 -8.965 1.00 33.14 H new ATOM 0 HB2 ASP A 518 2.381 -4.926 -10.966 1.00 11.11 H new ATOM 0 HB3 ASP A 518 4.087 -5.131 -10.624 1.00 11.11 H new ATOM 1080 N LEU A 519 3.799 -4.027 -7.197 1.00 24.21 N ATOM 1081 CA LEU A 519 4.656 -3.934 -6.044 1.00 55.51 C ATOM 1082 C LEU A 519 5.507 -5.156 -5.877 1.00 5.15 C ATOM 1083 O LEU A 519 6.723 -5.055 -5.726 1.00 35.22 O ATOM 1084 CB LEU A 519 3.814 -3.770 -4.816 1.00 14.21 C ATOM 1085 CG LEU A 519 2.738 -2.721 -4.907 1.00 52.11 C ATOM 1086 CD1 LEU A 519 2.020 -2.626 -3.612 1.00 10.31 C ATOM 1087 CD2 LEU A 519 3.295 -1.380 -5.321 1.00 33.44 C ATOM 0 H LEU A 519 2.889 -4.450 -7.014 1.00 24.21 H new ATOM 0 HA LEU A 519 5.312 -3.076 -6.189 1.00 55.51 H new ATOM 0 HB2 LEU A 519 3.346 -4.727 -4.586 1.00 14.21 H new ATOM 0 HB3 LEU A 519 4.467 -3.525 -3.978 1.00 14.21 H new ATOM 0 HG LEU A 519 2.033 -3.021 -5.682 1.00 52.11 H new ATOM 0 HD11 LEU A 519 1.242 -1.866 -3.682 1.00 10.31 H new ATOM 0 HD12 LEU A 519 1.566 -3.589 -3.376 1.00 10.31 H new ATOM 0 HD13 LEU A 519 2.723 -2.354 -2.825 1.00 10.31 H new ATOM 0 HD21 LEU A 519 2.486 -0.651 -5.375 1.00 33.44 H new ATOM 0 HD22 LEU A 519 4.032 -1.051 -4.589 1.00 33.44 H new ATOM 0 HD23 LEU A 519 3.769 -1.469 -6.299 1.00 33.44 H new ATOM 1099 N VAL A 520 4.879 -6.310 -5.904 1.00 53.11 N ATOM 1100 CA VAL A 520 5.574 -7.548 -5.656 1.00 71.23 C ATOM 1101 C VAL A 520 6.467 -7.933 -6.842 1.00 43.02 C ATOM 1102 O VAL A 520 6.074 -8.658 -7.766 1.00 45.42 O ATOM 1103 CB VAL A 520 4.614 -8.691 -5.231 1.00 62.42 C ATOM 1104 CG1 VAL A 520 5.381 -9.971 -4.937 1.00 75.51 C ATOM 1105 CG2 VAL A 520 3.808 -8.264 -4.005 1.00 70.22 C ATOM 0 H VAL A 520 3.883 -6.415 -6.097 1.00 53.11 H new ATOM 0 HA VAL A 520 6.233 -7.385 -4.803 1.00 71.23 H new ATOM 0 HB VAL A 520 3.932 -8.891 -6.058 1.00 62.42 H new ATOM 0 HG11 VAL A 520 4.683 -10.754 -4.642 1.00 75.51 H new ATOM 0 HG12 VAL A 520 5.921 -10.285 -5.830 1.00 75.51 H new ATOM 0 HG13 VAL A 520 6.090 -9.793 -4.128 1.00 75.51 H new ATOM 0 HG21 VAL A 520 3.136 -9.071 -3.712 1.00 70.22 H new ATOM 0 HG22 VAL A 520 4.488 -8.041 -3.182 1.00 70.22 H new ATOM 0 HG23 VAL A 520 3.224 -7.375 -4.245 1.00 70.22 H new ATOM 1115 N GLY A 521 7.646 -7.397 -6.795 1.00 21.53 N ATOM 1116 CA GLY A 521 8.632 -7.533 -7.821 1.00 44.14 C ATOM 1117 C GLY A 521 9.709 -6.518 -7.576 1.00 32.12 C ATOM 1118 O GLY A 521 10.857 -6.675 -7.998 1.00 2.44 O ATOM 0 H GLY A 521 7.961 -6.829 -6.008 1.00 21.53 H new ATOM 0 HA2 GLY A 521 9.050 -8.540 -7.815 1.00 44.14 H new ATOM 0 HA3 GLY A 521 8.183 -7.381 -8.802 1.00 44.14 H new ATOM 1122 N LYS A 522 9.325 -5.462 -6.878 1.00 34.15 N ATOM 1123 CA LYS A 522 10.231 -4.429 -6.456 1.00 30.22 C ATOM 1124 C LYS A 522 10.256 -4.390 -4.931 1.00 74.31 C ATOM 1125 O LYS A 522 9.486 -5.092 -4.285 1.00 55.32 O ATOM 1126 CB LYS A 522 9.828 -3.049 -7.034 1.00 31.21 C ATOM 1127 CG LYS A 522 8.397 -2.583 -6.702 1.00 71.33 C ATOM 1128 CD LYS A 522 8.128 -1.111 -7.073 1.00 52.43 C ATOM 1129 CE LYS A 522 8.033 -0.833 -8.576 1.00 73.34 C ATOM 1130 NZ LYS A 522 9.293 -1.076 -9.342 1.00 32.21 N ATOM 0 H LYS A 522 8.360 -5.304 -6.589 1.00 34.15 H new ATOM 0 HA LYS A 522 11.228 -4.654 -6.836 1.00 30.22 H new ATOM 0 HB2 LYS A 522 10.530 -2.301 -6.665 1.00 31.21 H new ATOM 0 HB3 LYS A 522 9.938 -3.082 -8.118 1.00 31.21 H new ATOM 0 HG2 LYS A 522 7.685 -3.218 -7.229 1.00 71.33 H new ATOM 0 HG3 LYS A 522 8.217 -2.719 -5.636 1.00 71.33 H new ATOM 0 HD2 LYS A 522 7.198 -0.796 -6.600 1.00 52.43 H new ATOM 0 HD3 LYS A 522 8.923 -0.494 -6.654 1.00 52.43 H new ATOM 0 HE2 LYS A 522 7.244 -1.456 -8.997 1.00 73.34 H new ATOM 0 HE3 LYS A 522 7.732 0.204 -8.720 1.00 73.34 H new ATOM 0 HZ1 LYS A 522 9.399 -0.348 -10.077 1.00 32.21 H new ATOM 0 HZ2 LYS A 522 10.106 -1.035 -8.695 1.00 32.21 H new ATOM 0 HZ3 LYS A 522 9.252 -2.015 -9.788 1.00 32.21 H new ATOM 1144 N SER A 523 11.142 -3.609 -4.368 1.00 33.13 N ATOM 1145 CA SER A 523 11.213 -3.456 -2.935 1.00 33.24 C ATOM 1146 C SER A 523 10.347 -2.264 -2.482 1.00 42.22 C ATOM 1147 O SER A 523 9.956 -1.419 -3.309 1.00 72.42 O ATOM 1148 CB SER A 523 12.664 -3.260 -2.509 1.00 15.11 C ATOM 1149 OG SER A 523 13.470 -4.355 -2.946 1.00 13.30 O ATOM 0 H SER A 523 11.831 -3.063 -4.885 1.00 33.13 H new ATOM 0 HA SER A 523 10.827 -4.358 -2.459 1.00 33.24 H new ATOM 0 HB2 SER A 523 13.048 -2.329 -2.927 1.00 15.11 H new ATOM 0 HB3 SER A 523 12.721 -3.170 -1.424 1.00 15.11 H new ATOM 0 HG SER A 523 14.398 -4.211 -2.665 1.00 13.30 H new ATOM 1155 N GLN A 524 10.076 -2.195 -1.180 1.00 61.23 N ATOM 1156 CA GLN A 524 9.235 -1.152 -0.580 1.00 14.43 C ATOM 1157 C GLN A 524 9.721 0.245 -0.941 1.00 73.00 C ATOM 1158 O GLN A 524 8.931 1.113 -1.295 1.00 51.44 O ATOM 1159 CB GLN A 524 9.226 -1.293 0.935 1.00 1.24 C ATOM 1160 CG GLN A 524 8.337 -0.276 1.635 1.00 31.11 C ATOM 1161 CD GLN A 524 8.387 -0.392 3.132 1.00 41.43 C ATOM 1162 OE1 GLN A 524 9.207 0.243 3.789 1.00 32.43 O ATOM 1163 NE2 GLN A 524 7.520 -1.186 3.680 1.00 32.54 N ATOM 0 H GLN A 524 10.436 -2.867 -0.502 1.00 61.23 H new ATOM 0 HA GLN A 524 8.228 -1.282 -0.977 1.00 14.43 H new ATOM 0 HB2 GLN A 524 8.891 -2.297 1.196 1.00 1.24 H new ATOM 0 HB3 GLN A 524 10.245 -1.190 1.307 1.00 1.24 H new ATOM 0 HG2 GLN A 524 8.642 0.729 1.343 1.00 31.11 H new ATOM 0 HG3 GLN A 524 7.308 -0.407 1.299 1.00 31.11 H new ATOM 0 HE21 GLN A 524 6.856 -1.696 3.098 1.00 32.54 H new ATOM 0 HE22 GLN A 524 7.503 -1.301 4.693 1.00 32.54 H new ATOM 1172 N GLU A 525 11.010 0.446 -0.849 1.00 3.32 N ATOM 1173 CA GLU A 525 11.619 1.736 -1.161 1.00 52.52 C ATOM 1174 C GLU A 525 11.395 2.152 -2.619 1.00 15.01 C ATOM 1175 O GLU A 525 11.277 3.336 -2.928 1.00 75.53 O ATOM 1176 CB GLU A 525 13.077 1.727 -0.803 1.00 45.12 C ATOM 1177 CG GLU A 525 13.313 1.626 0.688 1.00 10.43 C ATOM 1178 CD GLU A 525 14.750 1.440 1.014 1.00 41.14 C ATOM 1179 OE1 GLU A 525 15.506 2.434 1.039 1.00 31.11 O ATOM 1180 OE2 GLU A 525 15.164 0.296 1.215 1.00 72.22 O ATOM 0 H GLU A 525 11.675 -0.270 -0.558 1.00 3.32 H new ATOM 0 HA GLU A 525 11.121 2.490 -0.552 1.00 52.52 H new ATOM 0 HB2 GLU A 525 13.564 0.888 -1.301 1.00 45.12 H new ATOM 0 HB3 GLU A 525 13.545 2.637 -1.180 1.00 45.12 H new ATOM 0 HG2 GLU A 525 12.945 2.529 1.175 1.00 10.43 H new ATOM 0 HG3 GLU A 525 12.739 0.791 1.090 1.00 10.43 H new ATOM 1187 N GLU A 526 11.318 1.186 -3.495 1.00 20.33 N ATOM 1188 CA GLU A 526 11.037 1.458 -4.889 1.00 2.40 C ATOM 1189 C GLU A 526 9.583 1.875 -5.036 1.00 12.32 C ATOM 1190 O GLU A 526 9.245 2.729 -5.864 1.00 4.20 O ATOM 1191 CB GLU A 526 11.319 0.229 -5.712 1.00 54.31 C ATOM 1192 CG GLU A 526 12.776 -0.187 -5.680 1.00 21.31 C ATOM 1193 CD GLU A 526 13.045 -1.463 -6.420 1.00 5.33 C ATOM 1194 OE1 GLU A 526 13.131 -1.450 -7.660 1.00 33.20 O ATOM 1195 OE2 GLU A 526 13.169 -2.502 -5.763 1.00 13.42 O ATOM 0 H GLU A 526 11.446 0.199 -3.272 1.00 20.33 H new ATOM 0 HA GLU A 526 11.675 2.267 -5.243 1.00 2.40 H new ATOM 0 HB2 GLU A 526 10.704 -0.594 -5.347 1.00 54.31 H new ATOM 0 HB3 GLU A 526 11.023 0.415 -6.744 1.00 54.31 H new ATOM 0 HG2 GLU A 526 13.383 0.609 -6.110 1.00 21.31 H new ATOM 0 HG3 GLU A 526 13.091 -0.303 -4.643 1.00 21.31 H new ATOM 1202 N VAL A 527 8.730 1.288 -4.200 1.00 75.42 N ATOM 1203 CA VAL A 527 7.321 1.625 -4.180 1.00 54.02 C ATOM 1204 C VAL A 527 7.144 3.024 -3.602 1.00 21.22 C ATOM 1205 O VAL A 527 6.320 3.798 -4.078 1.00 40.12 O ATOM 1206 CB VAL A 527 6.478 0.625 -3.332 1.00 72.15 C ATOM 1207 CG1 VAL A 527 4.999 0.976 -3.401 1.00 10.44 C ATOM 1208 CG2 VAL A 527 6.707 -0.811 -3.771 1.00 41.03 C ATOM 0 H VAL A 527 8.999 0.572 -3.525 1.00 75.42 H new ATOM 0 HA VAL A 527 6.964 1.575 -5.209 1.00 54.02 H new ATOM 0 HB VAL A 527 6.808 0.711 -2.297 1.00 72.15 H new ATOM 0 HG11 VAL A 527 4.428 0.266 -2.803 1.00 10.44 H new ATOM 0 HG12 VAL A 527 4.846 1.983 -3.013 1.00 10.44 H new ATOM 0 HG13 VAL A 527 4.662 0.931 -4.437 1.00 10.44 H new ATOM 0 HG21 VAL A 527 6.103 -1.480 -3.158 1.00 41.03 H new ATOM 0 HG22 VAL A 527 6.422 -0.922 -4.817 1.00 41.03 H new ATOM 0 HG23 VAL A 527 7.761 -1.064 -3.654 1.00 41.03 H new ATOM 1218 N VAL A 528 7.938 3.365 -2.588 1.00 53.44 N ATOM 1219 CA VAL A 528 7.807 4.688 -2.002 1.00 35.15 C ATOM 1220 C VAL A 528 8.291 5.746 -2.962 1.00 61.22 C ATOM 1221 O VAL A 528 7.724 6.793 -3.037 1.00 35.41 O ATOM 1222 CB VAL A 528 8.453 4.879 -0.600 1.00 13.23 C ATOM 1223 CG1 VAL A 528 7.915 3.873 0.416 1.00 73.42 C ATOM 1224 CG2 VAL A 528 9.967 4.864 -0.642 1.00 65.42 C ATOM 0 H VAL A 528 8.651 2.767 -2.171 1.00 53.44 H new ATOM 0 HA VAL A 528 6.738 4.800 -1.823 1.00 35.15 H new ATOM 0 HB VAL A 528 8.161 5.875 -0.268 1.00 13.23 H new ATOM 0 HG11 VAL A 528 8.392 4.041 1.382 1.00 73.42 H new ATOM 0 HG12 VAL A 528 6.837 3.999 0.517 1.00 73.42 H new ATOM 0 HG13 VAL A 528 8.132 2.861 0.075 1.00 73.42 H new ATOM 0 HG21 VAL A 528 10.360 5.002 0.365 1.00 65.42 H new ATOM 0 HG22 VAL A 528 10.311 3.908 -1.038 1.00 65.42 H new ATOM 0 HG23 VAL A 528 10.321 5.671 -1.283 1.00 65.42 H new ATOM 1234 N SER A 529 9.335 5.440 -3.708 1.00 43.25 N ATOM 1235 CA SER A 529 9.843 6.334 -4.748 1.00 23.03 C ATOM 1236 C SER A 529 8.729 6.594 -5.783 1.00 44.42 C ATOM 1237 O SER A 529 8.476 7.741 -6.190 1.00 53.34 O ATOM 1238 CB SER A 529 11.087 5.703 -5.408 1.00 43.13 C ATOM 1239 OG SER A 529 11.628 6.525 -6.434 1.00 12.44 O ATOM 0 H SER A 529 9.858 4.569 -3.616 1.00 43.25 H new ATOM 0 HA SER A 529 10.138 7.289 -4.313 1.00 23.03 H new ATOM 0 HB2 SER A 529 11.848 5.526 -4.648 1.00 43.13 H new ATOM 0 HB3 SER A 529 10.821 4.732 -5.826 1.00 43.13 H new ATOM 0 HG SER A 529 12.414 6.088 -6.823 1.00 12.44 H new ATOM 1245 N LEU A 530 8.049 5.519 -6.152 1.00 12.44 N ATOM 1246 CA LEU A 530 6.915 5.527 -7.043 1.00 42.14 C ATOM 1247 C LEU A 530 5.802 6.428 -6.458 1.00 22.43 C ATOM 1248 O LEU A 530 5.170 7.222 -7.175 1.00 30.44 O ATOM 1249 CB LEU A 530 6.485 4.056 -7.184 1.00 75.22 C ATOM 1250 CG LEU A 530 5.180 3.711 -7.869 1.00 40.43 C ATOM 1251 CD1 LEU A 530 5.121 4.225 -9.286 1.00 31.33 C ATOM 1252 CD2 LEU A 530 4.989 2.211 -7.851 1.00 32.34 C ATOM 0 H LEU A 530 8.287 4.584 -5.822 1.00 12.44 H new ATOM 0 HA LEU A 530 7.146 5.939 -8.026 1.00 42.14 H new ATOM 0 HB2 LEU A 530 7.279 3.536 -7.719 1.00 75.22 H new ATOM 0 HB3 LEU A 530 6.446 3.632 -6.181 1.00 75.22 H new ATOM 0 HG LEU A 530 4.375 4.200 -7.320 1.00 40.43 H new ATOM 0 HD11 LEU A 530 4.165 3.951 -9.733 1.00 31.33 H new ATOM 0 HD12 LEU A 530 5.223 5.310 -9.284 1.00 31.33 H new ATOM 0 HD13 LEU A 530 5.932 3.785 -9.867 1.00 31.33 H new ATOM 0 HD21 LEU A 530 4.050 1.958 -8.343 1.00 32.34 H new ATOM 0 HD22 LEU A 530 5.815 1.733 -8.377 1.00 32.34 H new ATOM 0 HD23 LEU A 530 4.964 1.860 -6.819 1.00 32.34 H new ATOM 1264 N LEU A 531 5.603 6.308 -5.156 1.00 63.53 N ATOM 1265 CA LEU A 531 4.685 7.133 -4.403 1.00 44.02 C ATOM 1266 C LEU A 531 5.117 8.597 -4.385 1.00 54.34 C ATOM 1267 O LEU A 531 4.320 9.488 -4.669 1.00 33.32 O ATOM 1268 CB LEU A 531 4.542 6.552 -2.963 1.00 33.23 C ATOM 1269 CG LEU A 531 3.860 7.414 -1.886 1.00 3.22 C ATOM 1270 CD1 LEU A 531 3.298 6.522 -0.803 1.00 2.54 C ATOM 1271 CD2 LEU A 531 4.870 8.356 -1.218 1.00 43.44 C ATOM 0 H LEU A 531 6.088 5.617 -4.584 1.00 63.53 H new ATOM 0 HA LEU A 531 3.711 7.114 -4.892 1.00 44.02 H new ATOM 0 HB2 LEU A 531 3.989 5.616 -3.037 1.00 33.23 H new ATOM 0 HB3 LEU A 531 5.541 6.304 -2.605 1.00 33.23 H new ATOM 0 HG LEU A 531 3.074 7.992 -2.373 1.00 3.22 H new ATOM 0 HD11 LEU A 531 2.815 7.134 -0.041 1.00 2.54 H new ATOM 0 HD12 LEU A 531 2.567 5.840 -1.237 1.00 2.54 H new ATOM 0 HD13 LEU A 531 4.106 5.948 -0.349 1.00 2.54 H new ATOM 0 HD21 LEU A 531 4.364 8.955 -0.461 1.00 43.44 H new ATOM 0 HD22 LEU A 531 5.660 7.769 -0.749 1.00 43.44 H new ATOM 0 HD23 LEU A 531 5.305 9.015 -1.969 1.00 43.44 H new ATOM 1283 N ARG A 532 6.385 8.835 -4.087 1.00 52.34 N ATOM 1284 CA ARG A 532 6.902 10.191 -3.925 1.00 0.40 C ATOM 1285 C ARG A 532 6.754 10.985 -5.216 1.00 60.40 C ATOM 1286 O ARG A 532 6.579 12.198 -5.188 1.00 2.20 O ATOM 1287 CB ARG A 532 8.379 10.209 -3.484 1.00 62.50 C ATOM 1288 CG ARG A 532 8.700 9.411 -2.223 1.00 0.23 C ATOM 1289 CD ARG A 532 10.167 9.534 -1.841 1.00 41.11 C ATOM 1290 NE ARG A 532 11.054 9.094 -2.927 1.00 35.50 N ATOM 1291 CZ ARG A 532 12.182 8.383 -2.767 1.00 13.24 C ATOM 1292 NH1 ARG A 532 12.555 7.968 -1.556 1.00 24.13 N ATOM 1293 NH2 ARG A 532 12.928 8.078 -3.820 1.00 53.10 N ATOM 0 H ARG A 532 7.082 8.103 -3.951 1.00 52.34 H new ATOM 0 HA ARG A 532 6.308 10.654 -3.137 1.00 0.40 H new ATOM 0 HB2 ARG A 532 8.988 9.824 -4.301 1.00 62.50 H new ATOM 0 HB3 ARG A 532 8.679 11.244 -3.323 1.00 62.50 H new ATOM 0 HG2 ARG A 532 8.078 9.764 -1.400 1.00 0.23 H new ATOM 0 HG3 ARG A 532 8.452 8.362 -2.383 1.00 0.23 H new ATOM 0 HD2 ARG A 532 10.390 10.570 -1.587 1.00 41.11 H new ATOM 0 HD3 ARG A 532 10.361 8.938 -0.949 1.00 41.11 H new ATOM 0 HE ARG A 532 10.792 9.349 -3.879 1.00 35.50 H new ATOM 0 HH11 ARG A 532 11.982 8.190 -0.742 1.00 24.13 H new ATOM 0 HH12 ARG A 532 13.413 7.428 -1.444 1.00 24.13 H new ATOM 0 HH21 ARG A 532 12.645 8.383 -4.751 1.00 53.10 H new ATOM 0 HH22 ARG A 532 13.785 7.538 -3.699 1.00 53.10 H new ATOM 1307 N SER A 533 6.829 10.293 -6.340 1.00 33.10 N ATOM 1308 CA SER A 533 6.667 10.928 -7.622 1.00 11.11 C ATOM 1309 C SER A 533 5.234 11.461 -7.767 1.00 53.41 C ATOM 1310 O SER A 533 5.033 12.582 -8.210 1.00 31.14 O ATOM 1311 CB SER A 533 6.997 9.932 -8.748 1.00 1.31 C ATOM 1312 OG SER A 533 6.838 10.519 -10.030 1.00 11.31 O ATOM 0 H SER A 533 7.002 9.289 -6.383 1.00 33.10 H new ATOM 0 HA SER A 533 7.356 11.770 -7.695 1.00 11.11 H new ATOM 0 HB2 SER A 533 8.022 9.580 -8.634 1.00 1.31 H new ATOM 0 HB3 SER A 533 6.349 9.060 -8.664 1.00 1.31 H new ATOM 0 HG SER A 533 7.057 9.860 -10.721 1.00 11.31 H new ATOM 1318 N THR A 534 4.250 10.639 -7.373 1.00 61.52 N ATOM 1319 CA THR A 534 2.815 10.998 -7.406 1.00 24.31 C ATOM 1320 C THR A 534 2.281 11.250 -8.869 1.00 35.12 C ATOM 1321 O THR A 534 1.092 11.483 -9.079 1.00 62.41 O ATOM 1322 CB THR A 534 2.531 12.217 -6.462 1.00 33.14 C ATOM 1323 OG1 THR A 534 3.096 11.933 -5.166 1.00 32.22 O ATOM 1324 CG2 THR A 534 1.030 12.434 -6.269 1.00 23.11 C ATOM 0 H THR A 534 4.424 9.698 -7.019 1.00 61.52 H new ATOM 0 HA THR A 534 2.258 10.139 -7.031 1.00 24.31 H new ATOM 0 HB THR A 534 2.968 13.107 -6.914 1.00 33.14 H new ATOM 0 HG1 THR A 534 3.396 11.001 -5.137 1.00 32.22 H new ATOM 0 HG21 THR A 534 0.867 13.286 -5.609 1.00 23.11 H new ATOM 0 HG22 THR A 534 0.563 12.628 -7.235 1.00 23.11 H new ATOM 0 HG23 THR A 534 0.588 11.542 -5.825 1.00 23.11 H new ATOM 1332 N LYS A 535 3.183 11.168 -9.847 1.00 62.23 N ATOM 1333 CA LYS A 535 2.877 11.346 -11.262 1.00 11.31 C ATOM 1334 C LYS A 535 2.530 12.819 -11.598 1.00 1.13 C ATOM 1335 O LYS A 535 1.965 13.536 -10.792 1.00 53.03 O ATOM 1336 CB LYS A 535 1.855 10.298 -11.746 1.00 53.10 C ATOM 1337 CG LYS A 535 1.543 10.334 -13.182 1.00 31.02 C ATOM 1338 CD LYS A 535 0.797 9.088 -13.561 1.00 45.23 C ATOM 1339 CE LYS A 535 0.376 9.108 -14.987 1.00 41.54 C ATOM 1340 NZ LYS A 535 1.514 9.272 -15.919 1.00 22.10 N ATOM 0 H LYS A 535 4.168 10.971 -9.671 1.00 62.23 H new ATOM 0 HA LYS A 535 3.776 11.149 -11.846 1.00 11.31 H new ATOM 0 HB2 LYS A 535 2.233 9.306 -11.499 1.00 53.10 H new ATOM 0 HB3 LYS A 535 0.929 10.434 -11.187 1.00 53.10 H new ATOM 0 HG2 LYS A 535 0.944 11.215 -13.413 1.00 31.02 H new ATOM 0 HG3 LYS A 535 2.462 10.412 -13.763 1.00 31.02 H new ATOM 0 HD2 LYS A 535 1.428 8.218 -13.381 1.00 45.23 H new ATOM 0 HD3 LYS A 535 -0.081 8.982 -12.924 1.00 45.23 H new ATOM 0 HE2 LYS A 535 -0.147 8.181 -15.220 1.00 41.54 H new ATOM 0 HE3 LYS A 535 -0.333 9.921 -15.140 1.00 41.54 H new ATOM 0 HZ1 LYS A 535 1.194 9.094 -16.892 1.00 22.10 H new ATOM 0 HZ2 LYS A 535 1.884 10.241 -15.848 1.00 22.10 H new ATOM 0 HZ3 LYS A 535 2.265 8.596 -15.672 1.00 22.10 H new ATOM 1354 N MET A 536 2.895 13.247 -12.785 1.00 34.34 N ATOM 1355 CA MET A 536 2.876 14.661 -13.154 1.00 23.42 C ATOM 1356 C MET A 536 1.496 15.354 -13.163 1.00 51.20 C ATOM 1357 O MET A 536 1.415 16.552 -12.847 1.00 14.33 O ATOM 1358 CB MET A 536 3.671 14.894 -14.438 1.00 24.02 C ATOM 1359 CG MET A 536 3.804 16.352 -14.849 1.00 4.14 C ATOM 1360 SD MET A 536 4.943 16.576 -16.230 1.00 34.32 S ATOM 1361 CE MET A 536 6.474 15.965 -15.499 1.00 23.31 C ATOM 0 H MET A 536 3.216 12.629 -13.531 1.00 34.34 H new ATOM 0 HA MET A 536 3.376 15.170 -12.330 1.00 23.42 H new ATOM 0 HB2 MET A 536 4.669 14.474 -14.312 1.00 24.02 H new ATOM 0 HB3 MET A 536 3.194 14.344 -15.249 1.00 24.02 H new ATOM 0 HG2 MET A 536 2.823 16.740 -15.124 1.00 4.14 H new ATOM 0 HG3 MET A 536 4.151 16.937 -13.997 1.00 4.14 H new ATOM 0 HE1 MET A 536 7.307 16.589 -15.824 1.00 23.31 H new ATOM 0 HE2 MET A 536 6.397 15.999 -14.412 1.00 23.31 H new ATOM 0 HE3 MET A 536 6.645 14.937 -15.819 1.00 23.31 H new ATOM 1371 N GLU A 537 0.416 14.651 -13.489 1.00 20.44 N ATOM 1372 CA GLU A 537 -0.894 15.332 -13.447 1.00 32.44 C ATOM 1373 C GLU A 537 -1.352 15.421 -12.004 1.00 4.34 C ATOM 1374 O GLU A 537 -2.097 16.324 -11.616 1.00 63.20 O ATOM 1375 CB GLU A 537 -1.985 14.680 -14.345 1.00 12.34 C ATOM 1376 CG GLU A 537 -2.537 13.335 -13.883 1.00 21.32 C ATOM 1377 CD GLU A 537 -1.493 12.293 -13.768 1.00 52.30 C ATOM 1378 OE1 GLU A 537 -1.147 11.687 -14.789 1.00 61.02 O ATOM 1379 OE2 GLU A 537 -0.997 12.079 -12.662 1.00 60.53 O ATOM 0 H GLU A 537 0.404 13.671 -13.770 1.00 20.44 H new ATOM 0 HA GLU A 537 -0.753 16.328 -13.867 1.00 32.44 H new ATOM 0 HB2 GLU A 537 -2.817 15.378 -14.431 1.00 12.34 H new ATOM 0 HB3 GLU A 537 -1.571 14.553 -15.345 1.00 12.34 H new ATOM 0 HG2 GLU A 537 -3.025 13.461 -12.917 1.00 21.32 H new ATOM 0 HG3 GLU A 537 -3.301 13.001 -14.585 1.00 21.32 H new ATOM 1386 N GLY A 538 -0.903 14.466 -11.225 1.00 14.32 N ATOM 1387 CA GLY A 538 -1.134 14.474 -9.829 1.00 54.02 C ATOM 1388 C GLY A 538 -2.259 13.586 -9.403 1.00 12.14 C ATOM 1389 O GLY A 538 -2.948 13.882 -8.429 1.00 34.34 O ATOM 0 H GLY A 538 -0.367 13.665 -11.558 1.00 14.32 H new ATOM 0 HA2 GLY A 538 -0.223 14.164 -9.317 1.00 54.02 H new ATOM 0 HA3 GLY A 538 -1.347 15.494 -9.510 1.00 54.02 H new ATOM 1393 N THR A 539 -2.481 12.509 -10.112 1.00 15.55 N ATOM 1394 CA THR A 539 -3.478 11.570 -9.686 1.00 2.51 C ATOM 1395 C THR A 539 -2.853 10.209 -9.662 1.00 23.41 C ATOM 1396 O THR A 539 -2.166 9.813 -10.606 1.00 3.32 O ATOM 1397 CB THR A 539 -4.684 11.538 -10.598 1.00 45.14 C ATOM 1398 OG1 THR A 539 -5.026 12.881 -10.965 1.00 42.22 O ATOM 1399 CG2 THR A 539 -5.867 10.952 -9.839 1.00 11.42 C ATOM 0 H THR A 539 -1.992 12.265 -10.973 1.00 15.55 H new ATOM 0 HA THR A 539 -3.829 11.877 -8.701 1.00 2.51 H new ATOM 0 HB THR A 539 -4.457 10.940 -11.480 1.00 45.14 H new ATOM 0 HG1 THR A 539 -5.806 12.869 -11.558 1.00 42.22 H new ATOM 0 HG21 THR A 539 -6.740 10.926 -10.491 1.00 11.42 H new ATOM 0 HG22 THR A 539 -5.626 9.940 -9.515 1.00 11.42 H new ATOM 0 HG23 THR A 539 -6.083 11.570 -8.968 1.00 11.42 H new ATOM 1407 N VAL A 540 -3.055 9.512 -8.604 1.00 21.23 N ATOM 1408 CA VAL A 540 -2.455 8.239 -8.442 1.00 24.43 C ATOM 1409 C VAL A 540 -3.488 7.170 -8.279 1.00 11.13 C ATOM 1410 O VAL A 540 -4.453 7.336 -7.543 1.00 11.14 O ATOM 1411 CB VAL A 540 -1.489 8.254 -7.249 1.00 61.14 C ATOM 1412 CG1 VAL A 540 -0.831 6.917 -7.049 1.00 31.03 C ATOM 1413 CG2 VAL A 540 -0.455 9.322 -7.455 1.00 11.33 C ATOM 0 H VAL A 540 -3.642 9.809 -7.824 1.00 21.23 H new ATOM 0 HA VAL A 540 -1.888 8.013 -9.345 1.00 24.43 H new ATOM 0 HB VAL A 540 -2.063 8.470 -6.348 1.00 61.14 H new ATOM 0 HG11 VAL A 540 -0.155 6.968 -6.196 1.00 31.03 H new ATOM 0 HG12 VAL A 540 -1.593 6.160 -6.863 1.00 31.03 H new ATOM 0 HG13 VAL A 540 -0.267 6.652 -7.943 1.00 31.03 H new ATOM 0 HG21 VAL A 540 0.231 9.333 -6.608 1.00 11.33 H new ATOM 0 HG22 VAL A 540 0.101 9.118 -8.370 1.00 11.33 H new ATOM 0 HG23 VAL A 540 -0.945 10.292 -7.537 1.00 11.33 H new ATOM 1423 N SER A 541 -3.291 6.099 -8.985 1.00 13.41 N ATOM 1424 CA SER A 541 -4.148 4.970 -8.923 1.00 51.23 C ATOM 1425 C SER A 541 -3.638 3.981 -7.871 1.00 14.51 C ATOM 1426 O SER A 541 -2.565 3.426 -7.998 1.00 42.32 O ATOM 1427 CB SER A 541 -4.163 4.308 -10.296 1.00 34.44 C ATOM 1428 OG SER A 541 -4.618 5.212 -11.292 1.00 71.12 O ATOM 0 H SER A 541 -2.511 5.990 -9.633 1.00 13.41 H new ATOM 0 HA SER A 541 -5.155 5.279 -8.643 1.00 51.23 H new ATOM 0 HB2 SER A 541 -3.161 3.959 -10.547 1.00 34.44 H new ATOM 0 HB3 SER A 541 -4.809 3.431 -10.274 1.00 34.44 H new ATOM 0 HG SER A 541 -4.617 4.765 -12.164 1.00 71.12 H new ATOM 1434 N LEU A 542 -4.394 3.806 -6.849 1.00 60.21 N ATOM 1435 CA LEU A 542 -4.105 2.863 -5.802 1.00 11.50 C ATOM 1436 C LEU A 542 -5.002 1.684 -5.991 1.00 1.23 C ATOM 1437 O LEU A 542 -6.216 1.835 -6.021 1.00 62.02 O ATOM 1438 CB LEU A 542 -4.424 3.464 -4.407 1.00 23.21 C ATOM 1439 CG LEU A 542 -3.544 4.603 -3.897 1.00 71.32 C ATOM 1440 CD1 LEU A 542 -2.118 4.180 -3.904 1.00 12.55 C ATOM 1441 CD2 LEU A 542 -3.730 5.893 -4.678 1.00 2.14 C ATOM 0 H LEU A 542 -5.260 4.325 -6.703 1.00 60.21 H new ATOM 0 HA LEU A 542 -3.049 2.597 -5.848 1.00 11.50 H new ATOM 0 HB2 LEU A 542 -5.454 3.821 -4.425 1.00 23.21 H new ATOM 0 HB3 LEU A 542 -4.379 2.656 -3.677 1.00 23.21 H new ATOM 0 HG LEU A 542 -3.856 4.820 -2.875 1.00 71.32 H new ATOM 0 HD11 LEU A 542 -1.495 4.996 -3.539 1.00 12.55 H new ATOM 0 HD12 LEU A 542 -1.993 3.311 -3.258 1.00 12.55 H new ATOM 0 HD13 LEU A 542 -1.820 3.922 -4.920 1.00 12.55 H new ATOM 0 HD21 LEU A 542 -3.078 6.664 -4.268 1.00 2.14 H new ATOM 0 HD22 LEU A 542 -3.478 5.724 -5.725 1.00 2.14 H new ATOM 0 HD23 LEU A 542 -4.768 6.218 -4.602 1.00 2.14 H new ATOM 1453 N LEU A 543 -4.450 0.541 -6.155 1.00 52.31 N ATOM 1454 CA LEU A 543 -5.257 -0.632 -6.201 1.00 20.51 C ATOM 1455 C LEU A 543 -5.078 -1.311 -4.893 1.00 34.53 C ATOM 1456 O LEU A 543 -3.960 -1.697 -4.541 1.00 31.00 O ATOM 1457 CB LEU A 543 -4.829 -1.567 -7.320 1.00 11.13 C ATOM 1458 CG LEU A 543 -5.696 -2.809 -7.537 1.00 22.13 C ATOM 1459 CD1 LEU A 543 -7.074 -2.425 -8.034 1.00 12.22 C ATOM 1460 CD2 LEU A 543 -5.028 -3.768 -8.490 1.00 20.41 C ATOM 0 H LEU A 543 -3.447 0.386 -6.260 1.00 52.31 H new ATOM 0 HA LEU A 543 -6.296 -0.365 -6.391 1.00 20.51 H new ATOM 0 HB2 LEU A 543 -4.807 -0.999 -8.250 1.00 11.13 H new ATOM 0 HB3 LEU A 543 -3.808 -1.893 -7.121 1.00 11.13 H new ATOM 0 HG LEU A 543 -5.813 -3.312 -6.577 1.00 22.13 H new ATOM 0 HD11 LEU A 543 -7.672 -3.325 -8.181 1.00 12.22 H new ATOM 0 HD12 LEU A 543 -7.560 -1.783 -7.300 1.00 12.22 H new ATOM 0 HD13 LEU A 543 -6.984 -1.891 -8.980 1.00 12.22 H new ATOM 0 HD21 LEU A 543 -5.662 -4.643 -8.629 1.00 20.41 H new ATOM 0 HD22 LEU A 543 -4.871 -3.277 -9.450 1.00 20.41 H new ATOM 0 HD23 LEU A 543 -4.067 -4.078 -8.080 1.00 20.41 H new ATOM 1472 N VAL A 544 -6.127 -1.439 -4.166 1.00 31.21 N ATOM 1473 CA VAL A 544 -6.042 -2.035 -2.862 1.00 54.23 C ATOM 1474 C VAL A 544 -6.813 -3.321 -2.812 1.00 51.40 C ATOM 1475 O VAL A 544 -7.798 -3.486 -3.518 1.00 22.44 O ATOM 1476 CB VAL A 544 -6.539 -1.076 -1.733 1.00 31.40 C ATOM 1477 CG1 VAL A 544 -5.679 0.177 -1.667 1.00 54.10 C ATOM 1478 CG2 VAL A 544 -8.006 -0.704 -1.922 1.00 2.20 C ATOM 0 H VAL A 544 -7.062 -1.141 -4.443 1.00 31.21 H new ATOM 0 HA VAL A 544 -4.986 -2.238 -2.682 1.00 54.23 H new ATOM 0 HB VAL A 544 -6.447 -1.610 -0.787 1.00 31.40 H new ATOM 0 HG11 VAL A 544 -6.045 0.828 -0.873 1.00 54.10 H new ATOM 0 HG12 VAL A 544 -4.646 -0.101 -1.460 1.00 54.10 H new ATOM 0 HG13 VAL A 544 -5.729 0.703 -2.620 1.00 54.10 H new ATOM 0 HG21 VAL A 544 -8.318 -0.036 -1.119 1.00 2.20 H new ATOM 0 HG22 VAL A 544 -8.134 -0.203 -2.881 1.00 2.20 H new ATOM 0 HG23 VAL A 544 -8.616 -1.607 -1.901 1.00 2.20 H new ATOM 1488 N PHE A 545 -6.348 -4.226 -2.014 1.00 4.32 N ATOM 1489 CA PHE A 545 -6.997 -5.485 -1.830 1.00 24.31 C ATOM 1490 C PHE A 545 -7.549 -5.567 -0.449 1.00 42.44 C ATOM 1491 O PHE A 545 -6.821 -5.420 0.547 1.00 31.32 O ATOM 1492 CB PHE A 545 -6.059 -6.666 -2.117 1.00 1.22 C ATOM 1493 CG PHE A 545 -6.668 -8.024 -1.831 1.00 1.14 C ATOM 1494 CD1 PHE A 545 -7.635 -8.561 -2.667 1.00 74.22 C ATOM 1495 CD2 PHE A 545 -6.263 -8.761 -0.726 1.00 43.04 C ATOM 1496 CE1 PHE A 545 -8.188 -9.800 -2.405 1.00 71.11 C ATOM 1497 CE2 PHE A 545 -6.812 -9.998 -0.460 1.00 13.04 C ATOM 1498 CZ PHE A 545 -7.776 -10.520 -1.301 1.00 41.25 C ATOM 0 H PHE A 545 -5.496 -4.111 -1.464 1.00 4.32 H new ATOM 0 HA PHE A 545 -7.814 -5.552 -2.549 1.00 24.31 H new ATOM 0 HB2 PHE A 545 -5.755 -6.629 -3.163 1.00 1.22 H new ATOM 0 HB3 PHE A 545 -5.155 -6.552 -1.519 1.00 1.22 H new ATOM 0 HD1 PHE A 545 -7.960 -8.004 -3.533 1.00 74.22 H new ATOM 0 HD2 PHE A 545 -5.508 -8.360 -0.066 1.00 43.04 H new ATOM 0 HE1 PHE A 545 -8.942 -10.205 -3.063 1.00 71.11 H new ATOM 0 HE2 PHE A 545 -6.489 -10.558 0.405 1.00 13.04 H new ATOM 0 HZ PHE A 545 -8.206 -11.489 -1.095 1.00 41.25 H new ATOM 1508 N ARG A 546 -8.814 -5.777 -0.391 1.00 34.41 N ATOM 1509 CA ARG A 546 -9.516 -5.890 0.825 1.00 30.25 C ATOM 1510 C ARG A 546 -10.201 -7.204 0.879 1.00 53.14 C ATOM 1511 O ARG A 546 -10.970 -7.551 -0.019 1.00 12.23 O ATOM 1512 CB ARG A 546 -10.500 -4.764 0.948 1.00 63.31 C ATOM 1513 CG ARG A 546 -11.347 -4.805 2.193 1.00 42.12 C ATOM 1514 CD ARG A 546 -12.163 -3.557 2.289 1.00 52.44 C ATOM 1515 NE ARG A 546 -11.301 -2.383 2.376 1.00 41.34 N ATOM 1516 CZ ARG A 546 -11.658 -1.131 2.118 1.00 43.12 C ATOM 1517 NH1 ARG A 546 -12.906 -0.835 1.774 1.00 20.12 N ATOM 1518 NH2 ARG A 546 -10.763 -0.176 2.222 1.00 2.22 N ATOM 0 H ARG A 546 -9.403 -5.877 -1.217 1.00 34.41 H new ATOM 0 HA ARG A 546 -8.820 -5.828 1.662 1.00 30.25 H new ATOM 0 HB2 ARG A 546 -9.956 -3.820 0.925 1.00 63.31 H new ATOM 0 HB3 ARG A 546 -11.156 -4.775 0.078 1.00 63.31 H new ATOM 0 HG2 ARG A 546 -12.000 -5.677 2.171 1.00 42.12 H new ATOM 0 HG3 ARG A 546 -10.712 -4.904 3.073 1.00 42.12 H new ATOM 0 HD2 ARG A 546 -12.813 -3.473 1.418 1.00 52.44 H new ATOM 0 HD3 ARG A 546 -12.809 -3.606 3.165 1.00 52.44 H new ATOM 0 HE ARG A 546 -10.334 -2.539 2.662 1.00 41.34 H new ATOM 0 HH11 ARG A 546 -13.605 -1.575 1.705 1.00 20.12 H new ATOM 0 HH12 ARG A 546 -13.166 0.132 1.579 1.00 20.12 H new ATOM 0 HH21 ARG A 546 -9.807 -0.401 2.498 1.00 2.22 H new ATOM 0 HH22 ARG A 546 -11.024 0.791 2.027 1.00 2.22 H new