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 466 LYS NZ :NH3+ 176:sc= 0.617 (180deg=-0.38) USER MOD Set 1.2: A 534 THR OG1 : rot -0:sc= 1.71 USER MOD Set 2.1: A 468 THR OG1 : rot -160:sc= 0.673 USER MOD Set 2.2: A 501 GLN : amide:sc= -0.606 K(o=0.067,f=-5.1!) USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 ASN : amide:sc= -0.0228 X(o=-0.023,f=-0.023) USER MOD Single : A 463 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 465 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0152) USER MOD Single : A 474 SER OG : rot 180:sc= 0 USER MOD Single : A 476 THR OG1 : rot 180:sc= 0 USER MOD Single : A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 489 TYR OH : rot 180:sc= 0.62 USER MOD Single : A 491 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 492 ASN : amide:sc= -0.0172 K(o=-0.017,f=-0.69) USER MOD Single : A 506 LYS NZ :NH3+ -172:sc= 0.872 (180deg=0.572) USER MOD Single : A 515 ASN :FLIP amide:sc= 0.314 F(o=-2.9!,f=0.31) USER MOD Single : A 522 LYS NZ :NH3+ -148:sc= -0.269 (180deg=-2.91!) USER MOD Single : A 523 SER OG : rot 180:sc= 0 USER MOD Single : A 524 GLN : amide:sc= -4.4 K(o=-4.4,f=-7.2!) USER MOD Single : A 529 SER OG : rot 81:sc= 1.25 USER MOD Single : A 533 SER OG : rot 68:sc= 1.29 USER MOD Single : A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 536 MET CE :methyl 164:sc= -0.081 (180deg=-0.455) 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 -11.640 -8.234 -2.127 1.00 0.24 N ATOM 139 CA LYS A 458 -11.716 -7.733 -3.453 1.00 21.12 C ATOM 140 C LYS A 458 -10.694 -6.621 -3.601 1.00 32.01 C ATOM 141 O LYS A 458 -10.223 -6.062 -2.596 1.00 65.44 O ATOM 142 CB LYS A 458 -13.121 -7.190 -3.735 1.00 64.14 C ATOM 143 CG LYS A 458 -13.354 -6.895 -5.201 1.00 15.30 C ATOM 144 CD LYS A 458 -14.677 -6.209 -5.475 1.00 23.43 C ATOM 145 CE LYS A 458 -14.700 -4.813 -4.884 1.00 44.23 C ATOM 146 NZ LYS A 458 -15.971 -4.107 -5.184 1.00 60.33 N ATOM 0 HA LYS A 458 -11.509 -8.533 -4.164 1.00 21.12 H new ATOM 0 HB2 LYS A 458 -13.860 -7.914 -3.393 1.00 64.14 H new ATOM 0 HB3 LYS A 458 -13.276 -6.279 -3.157 1.00 64.14 H new ATOM 0 HG2 LYS A 458 -12.544 -6.266 -5.570 1.00 15.30 H new ATOM 0 HG3 LYS A 458 -13.314 -7.828 -5.762 1.00 15.30 H new ATOM 0 HD2 LYS A 458 -14.846 -6.155 -6.550 1.00 23.43 H new ATOM 0 HD3 LYS A 458 -15.491 -6.799 -5.053 1.00 23.43 H new ATOM 0 HE2 LYS A 458 -14.564 -4.873 -3.804 1.00 44.23 H new ATOM 0 HE3 LYS A 458 -13.863 -4.237 -5.279 1.00 44.23 H new ATOM 0 HZ1 LYS A 458 -15.948 -3.156 -4.763 1.00 60.33 H new ATOM 0 HZ2 LYS A 458 -16.089 -4.027 -6.214 1.00 60.33 H new ATOM 0 HZ3 LYS A 458 -16.768 -4.643 -4.785 1.00 60.33 H new ATOM 160 N ARG A 459 -10.343 -6.309 -4.815 1.00 24.31 N ATOM 161 CA ARG A 459 -9.410 -5.260 -5.076 1.00 73.41 C ATOM 162 C ARG A 459 -10.150 -3.998 -5.500 1.00 11.32 C ATOM 163 O ARG A 459 -11.201 -4.067 -6.146 1.00 4.15 O ATOM 164 CB ARG A 459 -8.374 -5.716 -6.101 1.00 41.54 C ATOM 165 CG ARG A 459 -7.599 -6.925 -5.603 1.00 2.24 C ATOM 166 CD ARG A 459 -6.509 -7.384 -6.544 1.00 60.01 C ATOM 167 NE ARG A 459 -7.000 -7.812 -7.860 1.00 12.42 N ATOM 168 CZ ARG A 459 -6.376 -8.727 -8.625 1.00 14.45 C ATOM 169 NH1 ARG A 459 -5.306 -9.374 -8.157 1.00 13.23 N ATOM 170 NH2 ARG A 459 -6.835 -9.013 -9.837 1.00 11.34 N ATOM 0 H ARG A 459 -10.697 -6.777 -5.649 1.00 24.31 H new ATOM 0 HA ARG A 459 -8.863 -5.017 -4.165 1.00 73.41 H new ATOM 0 HB2 ARG A 459 -8.871 -5.962 -7.039 1.00 41.54 H new ATOM 0 HB3 ARG A 459 -7.683 -4.900 -6.311 1.00 41.54 H new ATOM 0 HG2 ARG A 459 -7.155 -6.687 -4.637 1.00 2.24 H new ATOM 0 HG3 ARG A 459 -8.295 -7.748 -5.439 1.00 2.24 H new ATOM 0 HD2 ARG A 459 -5.795 -6.572 -6.680 1.00 60.01 H new ATOM 0 HD3 ARG A 459 -5.968 -8.210 -6.083 1.00 60.01 H new ATOM 0 HE ARG A 459 -7.860 -7.393 -8.214 1.00 12.42 H new ATOM 0 HH11 ARG A 459 -4.960 -9.175 -7.218 1.00 13.23 H new ATOM 0 HH12 ARG A 459 -4.835 -10.067 -8.738 1.00 13.23 H new ATOM 0 HH21 ARG A 459 -7.665 -8.539 -10.193 1.00 11.34 H new ATOM 0 HH22 ARG A 459 -6.358 -9.707 -10.412 1.00 11.34 H new ATOM 184 N LEU A 460 -9.623 -2.861 -5.116 1.00 34.43 N ATOM 185 CA LEU A 460 -10.283 -1.580 -5.347 1.00 45.03 C ATOM 186 C LEU A 460 -9.356 -0.680 -6.102 1.00 54.41 C ATOM 187 O LEU A 460 -8.190 -0.554 -5.729 1.00 62.33 O ATOM 188 CB LEU A 460 -10.653 -0.863 -4.013 1.00 43.45 C ATOM 189 CG LEU A 460 -11.596 -1.567 -2.996 1.00 44.23 C ATOM 190 CD1 LEU A 460 -12.903 -1.971 -3.623 1.00 72.43 C ATOM 191 CD2 LEU A 460 -10.927 -2.739 -2.280 1.00 23.14 C ATOM 0 H LEU A 460 -8.727 -2.787 -4.635 1.00 34.43 H new ATOM 0 HA LEU A 460 -11.197 -1.781 -5.905 1.00 45.03 H new ATOM 0 HB2 LEU A 460 -9.721 -0.641 -3.493 1.00 43.45 H new ATOM 0 HB3 LEU A 460 -11.109 0.093 -4.272 1.00 43.45 H new ATOM 0 HG LEU A 460 -11.820 -0.825 -2.230 1.00 44.23 H new ATOM 0 HD11 LEU A 460 -13.529 -2.459 -2.876 1.00 72.43 H new ATOM 0 HD12 LEU A 460 -13.413 -1.086 -4.003 1.00 72.43 H new ATOM 0 HD13 LEU A 460 -12.714 -2.661 -4.445 1.00 72.43 H new ATOM 0 HD21 LEU A 460 -11.633 -3.191 -1.583 1.00 23.14 H new ATOM 0 HD22 LEU A 460 -10.614 -3.483 -3.013 1.00 23.14 H new ATOM 0 HD23 LEU A 460 -10.055 -2.381 -1.732 1.00 23.14 H new ATOM 203 N ASN A 461 -9.845 -0.062 -7.143 1.00 55.33 N ATOM 204 CA ASN A 461 -9.040 0.866 -7.910 1.00 20.40 C ATOM 205 C ASN A 461 -9.470 2.282 -7.584 1.00 70.11 C ATOM 206 O ASN A 461 -10.607 2.686 -7.833 1.00 33.43 O ATOM 207 CB ASN A 461 -9.073 0.557 -9.431 1.00 63.34 C ATOM 208 CG ASN A 461 -10.449 0.627 -10.071 1.00 23.53 C ATOM 209 OD1 ASN A 461 -11.192 -0.366 -10.089 1.00 63.41 O ATOM 210 ND2 ASN A 461 -10.782 1.760 -10.637 1.00 3.53 N ATOM 0 H ASN A 461 -10.799 -0.181 -7.485 1.00 55.33 H new ATOM 0 HA ASN A 461 -7.994 0.751 -7.625 1.00 20.40 H new ATOM 0 HB2 ASN A 461 -8.415 1.259 -9.943 1.00 63.34 H new ATOM 0 HB3 ASN A 461 -8.664 -0.440 -9.593 1.00 63.34 H new ATOM 0 HD21 ASN A 461 -11.679 1.848 -11.114 1.00 3.53 H new ATOM 0 HD22 ASN A 461 -10.144 2.555 -10.601 1.00 3.53 H new ATOM 217 N ILE A 462 -8.573 3.013 -6.995 1.00 62.44 N ATOM 218 CA ILE A 462 -8.862 4.317 -6.460 1.00 12.41 C ATOM 219 C ILE A 462 -7.948 5.370 -7.091 1.00 73.15 C ATOM 220 O ILE A 462 -6.798 5.101 -7.347 1.00 4.30 O ATOM 221 CB ILE A 462 -8.580 4.296 -4.932 1.00 72.51 C ATOM 222 CG1 ILE A 462 -9.310 3.125 -4.254 1.00 72.34 C ATOM 223 CG2 ILE A 462 -9.008 5.600 -4.302 1.00 40.54 C ATOM 224 CD1 ILE A 462 -9.000 2.981 -2.775 1.00 13.33 C ATOM 0 H ILE A 462 -7.604 2.720 -6.869 1.00 62.44 H new ATOM 0 HA ILE A 462 -9.903 4.563 -6.672 1.00 12.41 H new ATOM 0 HB ILE A 462 -7.507 4.164 -4.789 1.00 72.51 H new ATOM 0 HG12 ILE A 462 -10.385 3.258 -4.379 1.00 72.34 H new ATOM 0 HG13 ILE A 462 -9.043 2.199 -4.763 1.00 72.34 H new ATOM 0 HG21 ILE A 462 -8.805 5.571 -3.232 1.00 40.54 H new ATOM 0 HG22 ILE A 462 -8.453 6.422 -4.755 1.00 40.54 H new ATOM 0 HG23 ILE A 462 -10.075 5.750 -4.464 1.00 40.54 H new ATOM 0 HD11 ILE A 462 -9.552 2.134 -2.368 1.00 13.33 H new ATOM 0 HD12 ILE A 462 -7.931 2.815 -2.642 1.00 13.33 H new ATOM 0 HD13 ILE A 462 -9.294 3.891 -2.251 1.00 13.33 H new ATOM 236 N GLN A 463 -8.470 6.552 -7.344 1.00 40.31 N ATOM 237 CA GLN A 463 -7.657 7.659 -7.832 1.00 5.02 C ATOM 238 C GLN A 463 -7.601 8.786 -6.823 1.00 21.22 C ATOM 239 O GLN A 463 -8.632 9.238 -6.321 1.00 15.35 O ATOM 240 CB GLN A 463 -8.114 8.146 -9.195 1.00 61.21 C ATOM 241 CG GLN A 463 -7.746 7.204 -10.318 1.00 74.15 C ATOM 242 CD GLN A 463 -8.374 7.596 -11.626 1.00 74.20 C ATOM 243 OE1 GLN A 463 -7.799 8.354 -12.406 1.00 12.24 O ATOM 244 NE2 GLN A 463 -9.558 7.089 -11.875 1.00 14.21 N ATOM 0 H GLN A 463 -9.457 6.777 -7.221 1.00 40.31 H new ATOM 0 HA GLN A 463 -6.642 7.281 -7.960 1.00 5.02 H new ATOM 0 HB2 GLN A 463 -9.196 8.280 -9.182 1.00 61.21 H new ATOM 0 HB3 GLN A 463 -7.674 9.124 -9.391 1.00 61.21 H new ATOM 0 HG2 GLN A 463 -6.662 7.184 -10.431 1.00 74.15 H new ATOM 0 HG3 GLN A 463 -8.058 6.193 -10.057 1.00 74.15 H new ATOM 0 HE21 GLN A 463 -9.998 6.464 -11.199 1.00 14.21 H new ATOM 0 HE22 GLN A 463 -10.039 7.320 -12.744 1.00 14.21 H new ATOM 253 N LEU A 464 -6.402 9.204 -6.517 1.00 61.23 N ATOM 254 CA LEU A 464 -6.130 10.235 -5.557 1.00 41.24 C ATOM 255 C LEU A 464 -5.428 11.408 -6.179 1.00 2.41 C ATOM 256 O LEU A 464 -4.724 11.257 -7.157 1.00 42.32 O ATOM 257 CB LEU A 464 -5.329 9.677 -4.392 1.00 31.44 C ATOM 258 CG LEU A 464 -6.164 9.330 -3.158 1.00 71.45 C ATOM 259 CD1 LEU A 464 -7.254 8.301 -3.386 1.00 42.34 C ATOM 260 CD2 LEU A 464 -5.337 9.007 -1.948 1.00 13.11 C ATOM 0 H LEU A 464 -5.559 8.821 -6.946 1.00 61.23 H new ATOM 0 HA LEU A 464 -7.087 10.597 -5.180 1.00 41.24 H new ATOM 0 HB2 LEU A 464 -4.804 8.781 -4.724 1.00 31.44 H new ATOM 0 HB3 LEU A 464 -4.569 10.405 -4.108 1.00 31.44 H new ATOM 0 HG LEU A 464 -6.691 10.261 -2.948 1.00 71.45 H new ATOM 0 HD11 LEU A 464 -7.788 8.124 -2.453 1.00 42.34 H new ATOM 0 HD12 LEU A 464 -7.951 8.670 -4.139 1.00 42.34 H new ATOM 0 HD13 LEU A 464 -6.808 7.368 -3.731 1.00 42.34 H new ATOM 0 HD21 LEU A 464 -5.994 8.771 -1.111 1.00 13.11 H new ATOM 0 HD22 LEU A 464 -4.699 8.150 -2.162 1.00 13.11 H new ATOM 0 HD23 LEU A 464 -4.717 9.866 -1.691 1.00 13.11 H new ATOM 272 N LYS A 465 -5.626 12.563 -5.598 1.00 15.10 N ATOM 273 CA LYS A 465 -5.101 13.794 -6.086 1.00 34.43 C ATOM 274 C LYS A 465 -4.116 14.340 -5.052 1.00 32.41 C ATOM 275 O LYS A 465 -4.426 14.405 -3.863 1.00 52.51 O ATOM 276 CB LYS A 465 -6.310 14.750 -6.340 1.00 75.11 C ATOM 277 CG LYS A 465 -6.053 16.154 -6.940 1.00 12.42 C ATOM 278 CD LYS A 465 -5.321 17.114 -6.001 1.00 54.43 C ATOM 279 CE LYS A 465 -6.011 17.231 -4.640 1.00 64.55 C ATOM 280 NZ LYS A 465 -7.414 17.679 -4.729 1.00 41.34 N ATOM 0 H LYS A 465 -6.176 12.667 -4.745 1.00 15.10 H new ATOM 0 HA LYS A 465 -4.556 13.679 -7.023 1.00 34.43 H new ATOM 0 HB2 LYS A 465 -7.003 14.232 -7.003 1.00 75.11 H new ATOM 0 HB3 LYS A 465 -6.823 14.889 -5.388 1.00 75.11 H new ATOM 0 HG2 LYS A 465 -5.471 16.044 -7.855 1.00 12.42 H new ATOM 0 HG3 LYS A 465 -7.008 16.597 -7.221 1.00 12.42 H new ATOM 0 HD2 LYS A 465 -4.297 16.770 -5.859 1.00 54.43 H new ATOM 0 HD3 LYS A 465 -5.265 18.099 -6.464 1.00 54.43 H new ATOM 0 HE2 LYS A 465 -5.978 16.263 -4.140 1.00 64.55 H new ATOM 0 HE3 LYS A 465 -5.453 17.930 -4.017 1.00 64.55 H new ATOM 0 HZ1 LYS A 465 -7.801 17.802 -3.771 1.00 41.34 H new ATOM 0 HZ2 LYS A 465 -7.458 18.584 -5.239 1.00 41.34 H new ATOM 0 HZ3 LYS A 465 -7.974 16.967 -5.239 1.00 41.34 H new ATOM 294 N LYS A 466 -2.930 14.682 -5.505 1.00 61.35 N ATOM 295 CA LYS A 466 -1.892 15.285 -4.649 1.00 72.23 C ATOM 296 C LYS A 466 -2.350 16.628 -4.042 1.00 70.15 C ATOM 297 O LYS A 466 -2.165 17.692 -4.628 1.00 3.22 O ATOM 298 CB LYS A 466 -0.538 15.458 -5.384 1.00 45.15 C ATOM 299 CG LYS A 466 0.550 16.084 -4.497 1.00 13.13 C ATOM 300 CD LYS A 466 1.854 16.317 -5.222 1.00 44.14 C ATOM 301 CE LYS A 466 2.583 15.033 -5.527 1.00 3.33 C ATOM 302 NZ LYS A 466 2.937 14.266 -4.298 1.00 3.34 N ATOM 0 H LYS A 466 -2.643 14.556 -6.476 1.00 61.35 H new ATOM 0 HA LYS A 466 -1.735 14.579 -3.834 1.00 72.23 H new ATOM 0 HB2 LYS A 466 -0.196 14.485 -5.738 1.00 45.15 H new ATOM 0 HB3 LYS A 466 -0.686 16.083 -6.264 1.00 45.15 H new ATOM 0 HG2 LYS A 466 0.186 17.034 -4.104 1.00 13.13 H new ATOM 0 HG3 LYS A 466 0.730 15.433 -3.641 1.00 13.13 H new ATOM 0 HD2 LYS A 466 1.658 16.850 -6.153 1.00 44.14 H new ATOM 0 HD3 LYS A 466 2.493 16.959 -4.616 1.00 44.14 H new ATOM 0 HE2 LYS A 466 1.962 14.412 -6.172 1.00 3.33 H new ATOM 0 HE3 LYS A 466 3.492 15.260 -6.083 1.00 3.33 H new ATOM 0 HZ1 LYS A 466 3.375 13.362 -4.567 1.00 3.34 H new ATOM 0 HZ2 LYS A 466 3.607 14.818 -3.725 1.00 3.34 H new ATOM 0 HZ3 LYS A 466 2.076 14.082 -3.744 1.00 3.34 H new ATOM 316 N GLY A 467 -2.996 16.545 -2.898 1.00 31.11 N ATOM 317 CA GLY A 467 -3.451 17.724 -2.209 1.00 12.44 C ATOM 318 C GLY A 467 -2.428 18.249 -1.242 1.00 60.12 C ATOM 319 O GLY A 467 -1.269 18.422 -1.611 1.00 73.30 O ATOM 0 H GLY A 467 -3.216 15.667 -2.428 1.00 31.11 H new ATOM 0 HA2 GLY A 467 -3.690 18.499 -2.938 1.00 12.44 H new ATOM 0 HA3 GLY A 467 -4.372 17.496 -1.672 1.00 12.44 H new ATOM 323 N THR A 468 -2.857 18.469 -0.002 1.00 42.52 N ATOM 324 CA THR A 468 -2.029 19.015 1.072 1.00 41.11 C ATOM 325 C THR A 468 -0.676 18.273 1.178 1.00 64.22 C ATOM 326 O THR A 468 0.359 18.820 0.802 1.00 2.33 O ATOM 327 CB THR A 468 -2.808 18.935 2.383 1.00 21.33 C ATOM 328 OG1 THR A 468 -4.120 19.470 2.161 1.00 10.45 O ATOM 329 CG2 THR A 468 -2.127 19.727 3.479 1.00 10.31 C ATOM 0 H THR A 468 -3.813 18.268 0.292 1.00 42.52 H new ATOM 0 HA THR A 468 -1.797 20.057 0.851 1.00 41.11 H new ATOM 0 HB THR A 468 -2.858 17.894 2.701 1.00 21.33 H new ATOM 0 HG1 THR A 468 -4.520 19.723 3.019 1.00 10.45 H new ATOM 0 HG21 THR A 468 -2.707 19.649 4.398 1.00 10.31 H new ATOM 0 HG22 THR A 468 -1.126 19.330 3.647 1.00 10.31 H new ATOM 0 HG23 THR A 468 -2.057 20.773 3.182 1.00 10.31 H new ATOM 337 N GLU A 469 -0.681 17.039 1.677 1.00 72.14 N ATOM 338 CA GLU A 469 0.542 16.238 1.617 1.00 64.24 C ATOM 339 C GLU A 469 0.608 15.627 0.244 1.00 62.21 C ATOM 340 O GLU A 469 1.654 15.560 -0.381 1.00 1.25 O ATOM 341 CB GLU A 469 0.546 15.090 2.637 1.00 2.12 C ATOM 342 CG GLU A 469 0.441 15.498 4.087 1.00 33.30 C ATOM 343 CD GLU A 469 1.621 16.300 4.554 1.00 54.03 C ATOM 344 OE1 GLU A 469 2.729 15.734 4.663 1.00 41.04 O ATOM 345 OE2 GLU A 469 1.453 17.486 4.857 1.00 12.45 O ATOM 0 H GLU A 469 -1.484 16.584 2.112 1.00 72.14 H new ATOM 0 HA GLU A 469 1.388 16.888 1.839 1.00 64.24 H new ATOM 0 HB2 GLU A 469 -0.284 14.422 2.406 1.00 2.12 H new ATOM 0 HB3 GLU A 469 1.464 14.516 2.506 1.00 2.12 H new ATOM 0 HG2 GLU A 469 -0.468 16.082 4.230 1.00 33.30 H new ATOM 0 HG3 GLU A 469 0.347 14.605 4.705 1.00 33.30 H new ATOM 352 N GLY A 470 -0.564 15.229 -0.230 1.00 70.31 N ATOM 353 CA GLY A 470 -0.680 14.522 -1.478 1.00 25.53 C ATOM 354 C GLY A 470 -0.027 13.156 -1.422 1.00 31.00 C ATOM 355 O GLY A 470 1.183 13.036 -1.439 1.00 34.25 O ATOM 0 H GLY A 470 -1.452 15.391 0.244 1.00 70.31 H new ATOM 0 HA2 GLY A 470 -1.734 14.409 -1.734 1.00 25.53 H new ATOM 0 HA3 GLY A 470 -0.220 15.111 -2.272 1.00 25.53 H new ATOM 359 N LEU A 471 -0.871 12.151 -1.427 1.00 41.03 N ATOM 360 CA LEU A 471 -0.537 10.762 -1.151 1.00 5.50 C ATOM 361 C LEU A 471 -0.189 10.647 0.305 1.00 63.14 C ATOM 362 O LEU A 471 0.949 10.767 0.714 1.00 53.14 O ATOM 363 CB LEU A 471 0.536 10.163 -2.071 1.00 20.31 C ATOM 364 CG LEU A 471 0.272 10.315 -3.575 1.00 54.25 C ATOM 365 CD1 LEU A 471 1.301 9.558 -4.367 1.00 40.54 C ATOM 366 CD2 LEU A 471 -1.138 9.864 -3.944 1.00 71.30 C ATOM 0 H LEU A 471 -1.861 12.281 -1.634 1.00 41.03 H new ATOM 0 HA LEU A 471 -1.412 10.153 -1.377 1.00 5.50 H new ATOM 0 HB2 LEU A 471 1.493 10.631 -1.838 1.00 20.31 H new ATOM 0 HB3 LEU A 471 0.636 9.102 -1.842 1.00 20.31 H new ATOM 0 HG LEU A 471 0.352 11.373 -3.824 1.00 54.25 H new ATOM 0 HD11 LEU A 471 1.100 9.676 -5.432 1.00 40.54 H new ATOM 0 HD12 LEU A 471 2.294 9.947 -4.140 1.00 40.54 H new ATOM 0 HD13 LEU A 471 1.257 8.501 -4.104 1.00 40.54 H new ATOM 0 HD21 LEU A 471 -1.290 9.986 -5.016 1.00 71.30 H new ATOM 0 HD22 LEU A 471 -1.266 8.815 -3.676 1.00 71.30 H new ATOM 0 HD23 LEU A 471 -1.866 10.468 -3.404 1.00 71.30 H new ATOM 378 N GLY A 472 -1.216 10.474 1.093 1.00 45.30 N ATOM 379 CA GLY A 472 -1.061 10.503 2.510 1.00 1.31 C ATOM 380 C GLY A 472 -1.083 9.155 3.098 1.00 31.31 C ATOM 381 O GLY A 472 -1.895 8.877 3.962 1.00 4.44 O ATOM 0 H GLY A 472 -2.170 10.311 0.770 1.00 45.30 H new ATOM 0 HA2 GLY A 472 -0.120 10.992 2.761 1.00 1.31 H new ATOM 0 HA3 GLY A 472 -1.859 11.102 2.949 1.00 1.31 H new ATOM 385 N PHE A 473 -0.211 8.326 2.644 1.00 50.33 N ATOM 386 CA PHE A 473 -0.121 7.001 3.141 1.00 73.11 C ATOM 387 C PHE A 473 1.291 6.529 3.098 1.00 40.42 C ATOM 388 O PHE A 473 2.044 6.871 2.193 1.00 64.12 O ATOM 389 CB PHE A 473 -1.090 6.033 2.417 1.00 73.05 C ATOM 390 CG PHE A 473 -0.902 5.860 0.923 1.00 3.43 C ATOM 391 CD1 PHE A 473 -1.091 6.925 0.056 1.00 41.11 C ATOM 392 CD2 PHE A 473 -0.562 4.620 0.389 1.00 32.41 C ATOM 393 CE1 PHE A 473 -0.945 6.760 -1.299 1.00 35.34 C ATOM 394 CE2 PHE A 473 -0.419 4.461 -0.979 1.00 43.13 C ATOM 395 CZ PHE A 473 -0.609 5.531 -1.809 1.00 35.24 C ATOM 0 H PHE A 473 0.464 8.550 1.913 1.00 50.33 H new ATOM 0 HA PHE A 473 -0.440 7.010 4.183 1.00 73.11 H new ATOM 0 HB2 PHE A 473 -1.002 5.053 2.885 1.00 73.05 H new ATOM 0 HB3 PHE A 473 -2.108 6.379 2.592 1.00 73.05 H new ATOM 0 HD1 PHE A 473 -1.356 7.895 0.451 1.00 41.11 H new ATOM 0 HD2 PHE A 473 -0.409 3.777 1.046 1.00 32.41 H new ATOM 0 HE1 PHE A 473 -1.095 7.598 -1.964 1.00 35.34 H new ATOM 0 HE2 PHE A 473 -0.159 3.496 -1.389 1.00 43.13 H new ATOM 0 HZ PHE A 473 -0.494 5.408 -2.876 1.00 35.24 H new ATOM 405 N SER A 474 1.651 5.791 4.083 1.00 12.33 N ATOM 406 CA SER A 474 2.961 5.250 4.186 1.00 31.11 C ATOM 407 C SER A 474 2.835 3.753 4.082 1.00 72.12 C ATOM 408 O SER A 474 1.844 3.184 4.544 1.00 72.33 O ATOM 409 CB SER A 474 3.561 5.648 5.529 1.00 11.04 C ATOM 410 OG SER A 474 3.505 7.058 5.698 1.00 61.20 O ATOM 0 H SER A 474 1.034 5.540 4.856 1.00 12.33 H new ATOM 0 HA SER A 474 3.613 5.625 3.397 1.00 31.11 H new ATOM 0 HB2 SER A 474 3.019 5.157 6.337 1.00 11.04 H new ATOM 0 HB3 SER A 474 4.595 5.309 5.587 1.00 11.04 H new ATOM 0 HG SER A 474 3.892 7.299 6.565 1.00 61.20 H new ATOM 416 N ILE A 475 3.791 3.125 3.481 1.00 34.53 N ATOM 417 CA ILE A 475 3.744 1.703 3.244 1.00 33.45 C ATOM 418 C ILE A 475 4.779 0.945 4.033 1.00 1.42 C ATOM 419 O ILE A 475 5.815 1.485 4.412 1.00 25.14 O ATOM 420 CB ILE A 475 3.898 1.371 1.759 1.00 52.21 C ATOM 421 CG1 ILE A 475 5.025 2.217 1.148 1.00 5.41 C ATOM 422 CG2 ILE A 475 2.571 1.521 1.015 1.00 43.34 C ATOM 423 CD1 ILE A 475 5.362 1.862 -0.263 1.00 14.30 C ATOM 0 H ILE A 475 4.636 3.579 3.135 1.00 34.53 H new ATOM 0 HA ILE A 475 2.759 1.384 3.584 1.00 33.45 H new ATOM 0 HB ILE A 475 4.182 0.324 1.654 1.00 52.21 H new ATOM 0 HG12 ILE A 475 4.737 3.268 1.188 1.00 5.41 H new ATOM 0 HG13 ILE A 475 5.919 2.108 1.762 1.00 5.41 H new ATOM 0 HG21 ILE A 475 2.715 1.278 -0.038 1.00 43.34 H new ATOM 0 HG22 ILE A 475 1.833 0.844 1.446 1.00 43.34 H new ATOM 0 HG23 ILE A 475 2.217 2.548 1.105 1.00 43.34 H new ATOM 0 HD11 ILE A 475 6.166 2.506 -0.618 1.00 14.30 H new ATOM 0 HD12 ILE A 475 5.683 0.821 -0.310 1.00 14.30 H new ATOM 0 HD13 ILE A 475 4.483 1.999 -0.893 1.00 14.30 H new ATOM 435 N THR A 476 4.479 -0.294 4.290 1.00 34.11 N ATOM 436 CA THR A 476 5.360 -1.175 4.997 1.00 42.53 C ATOM 437 C THR A 476 5.257 -2.578 4.411 1.00 41.44 C ATOM 438 O THR A 476 4.219 -2.953 3.869 1.00 30.25 O ATOM 439 CB THR A 476 4.981 -1.199 6.503 1.00 43.33 C ATOM 440 OG1 THR A 476 5.831 -2.077 7.245 1.00 14.41 O ATOM 441 CG2 THR A 476 3.513 -1.582 6.709 1.00 12.00 C ATOM 0 H THR A 476 3.600 -0.728 4.009 1.00 34.11 H new ATOM 0 HA THR A 476 6.385 -0.820 4.896 1.00 42.53 H new ATOM 0 HB THR A 476 5.124 -0.186 6.880 1.00 43.33 H new ATOM 0 HG1 THR A 476 5.567 -2.068 8.189 1.00 14.41 H new ATOM 0 HG21 THR A 476 3.285 -1.588 7.775 1.00 12.00 H new ATOM 0 HG22 THR A 476 2.874 -0.857 6.205 1.00 12.00 H new ATOM 0 HG23 THR A 476 3.334 -2.574 6.294 1.00 12.00 H new ATOM 449 N SER A 477 6.327 -3.316 4.465 1.00 44.44 N ATOM 450 CA SER A 477 6.317 -4.677 4.045 1.00 72.22 C ATOM 451 C SER A 477 6.370 -5.549 5.278 1.00 71.10 C ATOM 452 O SER A 477 7.165 -5.298 6.195 1.00 42.13 O ATOM 453 CB SER A 477 7.467 -4.956 3.064 1.00 51.43 C ATOM 454 OG SER A 477 8.720 -4.496 3.566 1.00 64.42 O ATOM 0 H SER A 477 7.231 -2.986 4.803 1.00 44.44 H new ATOM 0 HA SER A 477 5.402 -4.905 3.498 1.00 72.22 H new ATOM 0 HB2 SER A 477 7.526 -6.027 2.869 1.00 51.43 H new ATOM 0 HB3 SER A 477 7.257 -4.469 2.111 1.00 51.43 H new ATOM 0 HG SER A 477 9.425 -4.693 2.915 1.00 64.42 H new ATOM 580 N PRO A 487 4.577 -8.634 1.250 1.00 71.34 N ATOM 581 CA PRO A 487 3.382 -7.849 0.919 1.00 12.13 C ATOM 582 C PRO A 487 3.462 -6.397 1.393 1.00 74.33 C ATOM 583 O PRO A 487 3.867 -6.109 2.535 1.00 52.52 O ATOM 584 CB PRO A 487 2.251 -8.588 1.631 1.00 55.20 C ATOM 585 CG PRO A 487 2.760 -9.973 1.825 1.00 24.51 C ATOM 586 CD PRO A 487 4.240 -9.848 2.011 1.00 23.11 C ATOM 0 HA PRO A 487 3.246 -7.774 -0.160 1.00 12.13 H new ATOM 0 HB2 PRO A 487 2.011 -8.118 2.585 1.00 55.20 H new ATOM 0 HB3 PRO A 487 1.339 -8.582 1.035 1.00 55.20 H new ATOM 0 HG2 PRO A 487 2.296 -10.441 2.693 1.00 24.51 H new ATOM 0 HG3 PRO A 487 2.527 -10.598 0.963 1.00 24.51 H new ATOM 0 HD2 PRO A 487 4.506 -9.750 3.063 1.00 23.11 H new ATOM 0 HD3 PRO A 487 4.768 -10.722 1.629 1.00 23.11 H new ATOM 594 N ILE A 488 3.065 -5.502 0.512 1.00 5.22 N ATOM 595 CA ILE A 488 3.099 -4.080 0.762 1.00 23.35 C ATOM 596 C ILE A 488 1.786 -3.663 1.436 1.00 14.13 C ATOM 597 O ILE A 488 0.719 -3.859 0.889 1.00 65.02 O ATOM 598 CB ILE A 488 3.238 -3.300 -0.580 1.00 24.42 C ATOM 599 CG1 ILE A 488 4.427 -3.827 -1.430 1.00 71.12 C ATOM 600 CG2 ILE A 488 3.380 -1.802 -0.329 1.00 51.01 C ATOM 601 CD1 ILE A 488 5.793 -3.731 -0.776 1.00 0.13 C ATOM 0 H ILE A 488 2.705 -5.748 -0.410 1.00 5.22 H new ATOM 0 HA ILE A 488 3.951 -3.851 1.403 1.00 23.35 H new ATOM 0 HB ILE A 488 2.324 -3.469 -1.149 1.00 24.42 H new ATOM 0 HG12 ILE A 488 4.237 -4.870 -1.681 1.00 71.12 H new ATOM 0 HG13 ILE A 488 4.453 -3.273 -2.368 1.00 71.12 H new ATOM 0 HG21 ILE A 488 3.475 -1.281 -1.282 1.00 51.01 H new ATOM 0 HG22 ILE A 488 2.499 -1.436 0.198 1.00 51.01 H new ATOM 0 HG23 ILE A 488 4.267 -1.617 0.276 1.00 51.01 H new ATOM 0 HD11 ILE A 488 6.550 -4.125 -1.454 1.00 0.13 H new ATOM 0 HD12 ILE A 488 6.016 -2.688 -0.551 1.00 0.13 H new ATOM 0 HD13 ILE A 488 5.796 -4.310 0.147 1.00 0.13 H new ATOM 613 N TYR A 489 1.873 -3.106 2.609 1.00 31.22 N ATOM 614 CA TYR A 489 0.695 -2.711 3.351 1.00 22.41 C ATOM 615 C TYR A 489 0.687 -1.257 3.643 1.00 3.01 C ATOM 616 O TYR A 489 1.745 -0.631 3.769 1.00 13.14 O ATOM 617 CB TYR A 489 0.571 -3.484 4.664 1.00 23.43 C ATOM 618 CG TYR A 489 0.325 -4.936 4.467 1.00 30.14 C ATOM 619 CD1 TYR A 489 -0.854 -5.354 3.912 1.00 71.14 C ATOM 620 CD2 TYR A 489 1.269 -5.889 4.807 1.00 74.01 C ATOM 621 CE1 TYR A 489 -1.108 -6.669 3.695 1.00 2.21 C ATOM 622 CE2 TYR A 489 1.023 -7.224 4.592 1.00 44.23 C ATOM 623 CZ TYR A 489 -0.174 -7.609 4.030 1.00 41.05 C ATOM 624 OH TYR A 489 -0.437 -8.939 3.804 1.00 23.54 O ATOM 0 H TYR A 489 2.755 -2.910 3.083 1.00 31.22 H new ATOM 0 HA TYR A 489 -0.158 -2.948 2.714 1.00 22.41 H new ATOM 0 HB2 TYR A 489 1.485 -3.352 5.243 1.00 23.43 H new ATOM 0 HB3 TYR A 489 -0.243 -3.061 5.252 1.00 23.43 H new ATOM 0 HD1 TYR A 489 -1.599 -4.621 3.641 1.00 71.14 H new ATOM 0 HD2 TYR A 489 2.207 -5.581 5.245 1.00 74.01 H new ATOM 0 HE1 TYR A 489 -2.048 -6.973 3.258 1.00 2.21 H new ATOM 0 HE2 TYR A 489 1.762 -7.964 4.861 1.00 44.23 H new ATOM 0 HH TYR A 489 0.328 -9.478 4.096 1.00 23.54 H new ATOM 634 N VAL A 490 -0.499 -0.712 3.740 1.00 54.13 N ATOM 635 CA VAL A 490 -0.669 0.656 4.126 1.00 34.31 C ATOM 636 C VAL A 490 -0.477 0.725 5.640 1.00 70.52 C ATOM 637 O VAL A 490 -1.199 0.069 6.395 1.00 42.00 O ATOM 638 CB VAL A 490 -2.087 1.170 3.757 1.00 31.53 C ATOM 639 CG1 VAL A 490 -2.221 2.651 4.061 1.00 12.05 C ATOM 640 CG2 VAL A 490 -2.419 0.879 2.295 1.00 4.24 C ATOM 0 H VAL A 490 -1.370 -1.208 3.553 1.00 54.13 H new ATOM 0 HA VAL A 490 0.054 1.282 3.603 1.00 34.31 H new ATOM 0 HB VAL A 490 -2.807 0.631 4.373 1.00 31.53 H new ATOM 0 HG11 VAL A 490 -3.223 2.988 3.794 1.00 12.05 H new ATOM 0 HG12 VAL A 490 -2.052 2.821 5.124 1.00 12.05 H new ATOM 0 HG13 VAL A 490 -1.484 3.209 3.483 1.00 12.05 H new ATOM 0 HG21 VAL A 490 -3.418 1.251 2.068 1.00 4.24 H new ATOM 0 HG22 VAL A 490 -1.692 1.374 1.651 1.00 4.24 H new ATOM 0 HG23 VAL A 490 -2.384 -0.196 2.121 1.00 4.24 H new ATOM 650 N LYS A 491 0.500 1.480 6.069 1.00 51.50 N ATOM 651 CA LYS A 491 0.832 1.594 7.474 1.00 11.34 C ATOM 652 C LYS A 491 0.026 2.688 8.136 1.00 21.13 C ATOM 653 O LYS A 491 -0.643 2.468 9.150 1.00 24.54 O ATOM 654 CB LYS A 491 2.318 1.943 7.652 1.00 32.11 C ATOM 655 CG LYS A 491 2.742 2.096 9.107 1.00 14.30 C ATOM 656 CD LYS A 491 4.191 2.518 9.228 1.00 52.23 C ATOM 657 CE LYS A 491 5.133 1.476 8.686 1.00 35.11 C ATOM 658 NZ LYS A 491 6.545 1.866 8.833 1.00 61.42 N ATOM 0 H LYS A 491 1.093 2.038 5.455 1.00 51.50 H new ATOM 0 HA LYS A 491 0.606 0.632 7.933 1.00 11.34 H new ATOM 0 HB2 LYS A 491 2.923 1.165 7.187 1.00 32.11 H new ATOM 0 HB3 LYS A 491 2.530 2.871 7.122 1.00 32.11 H new ATOM 0 HG2 LYS A 491 2.106 2.834 9.595 1.00 14.30 H new ATOM 0 HG3 LYS A 491 2.593 1.151 9.630 1.00 14.30 H new ATOM 0 HD2 LYS A 491 4.341 3.455 8.692 1.00 52.23 H new ATOM 0 HD3 LYS A 491 4.426 2.709 10.275 1.00 52.23 H new ATOM 0 HE2 LYS A 491 4.964 0.532 9.204 1.00 35.11 H new ATOM 0 HE3 LYS A 491 4.914 1.305 7.632 1.00 35.11 H new ATOM 0 HZ1 LYS A 491 7.154 1.117 8.446 1.00 61.42 H new ATOM 0 HZ2 LYS A 491 6.716 2.753 8.317 1.00 61.42 H new ATOM 0 HZ3 LYS A 491 6.764 2.004 9.840 1.00 61.42 H new ATOM 672 N ASN A 492 0.096 3.858 7.561 1.00 55.10 N ATOM 673 CA ASN A 492 -0.463 5.036 8.186 1.00 4.22 C ATOM 674 C ASN A 492 -1.090 5.927 7.157 1.00 0.33 C ATOM 675 O ASN A 492 -0.648 5.956 6.004 1.00 3.24 O ATOM 676 CB ASN A 492 0.674 5.797 8.847 1.00 14.43 C ATOM 677 CG ASN A 492 0.241 6.974 9.693 1.00 71.00 C ATOM 678 OD1 ASN A 492 -0.853 6.991 10.265 1.00 45.33 O ATOM 679 ND2 ASN A 492 1.099 7.950 9.796 1.00 43.35 N ATOM 0 H ASN A 492 0.536 4.026 6.656 1.00 55.10 H new ATOM 0 HA ASN A 492 -1.222 4.739 8.910 1.00 4.22 H new ATOM 0 HB2 ASN A 492 1.240 5.106 9.472 1.00 14.43 H new ATOM 0 HB3 ASN A 492 1.352 6.154 8.072 1.00 14.43 H new ATOM 0 HD21 ASN A 492 0.877 8.766 10.366 1.00 43.35 H new ATOM 0 HD22 ASN A 492 1.993 7.897 9.307 1.00 43.35 H new ATOM 686 N ILE A 493 -2.102 6.635 7.570 1.00 43.55 N ATOM 687 CA ILE A 493 -2.787 7.592 6.750 1.00 43.33 C ATOM 688 C ILE A 493 -2.602 8.986 7.342 1.00 74.13 C ATOM 689 O ILE A 493 -3.149 9.300 8.413 1.00 52.13 O ATOM 690 CB ILE A 493 -4.301 7.252 6.645 1.00 3.33 C ATOM 691 CG1 ILE A 493 -4.527 5.941 5.904 1.00 70.40 C ATOM 692 CG2 ILE A 493 -5.097 8.356 6.002 1.00 42.32 C ATOM 693 CD1 ILE A 493 -4.132 5.941 4.431 1.00 24.10 C ATOM 0 H ILE A 493 -2.484 6.560 8.513 1.00 43.55 H new ATOM 0 HA ILE A 493 -2.365 7.561 5.745 1.00 43.33 H new ATOM 0 HB ILE A 493 -4.659 7.142 7.669 1.00 3.33 H new ATOM 0 HG12 ILE A 493 -3.967 5.156 6.412 1.00 70.40 H new ATOM 0 HG13 ILE A 493 -5.582 5.679 5.979 1.00 70.40 H new ATOM 0 HG21 ILE A 493 -6.147 8.067 5.954 1.00 42.32 H new ATOM 0 HG22 ILE A 493 -4.998 9.267 6.592 1.00 42.32 H new ATOM 0 HG23 ILE A 493 -4.723 8.535 4.994 1.00 42.32 H new ATOM 0 HD11 ILE A 493 -4.334 4.960 4.000 1.00 24.10 H new ATOM 0 HD12 ILE A 493 -4.710 6.697 3.899 1.00 24.10 H new ATOM 0 HD13 ILE A 493 -3.069 6.166 4.339 1.00 24.10 H new ATOM 705 N LEU A 494 -1.774 9.778 6.686 1.00 41.05 N ATOM 706 CA LEU A 494 -1.535 11.180 7.066 1.00 4.41 C ATOM 707 C LEU A 494 -2.858 11.955 7.180 1.00 44.01 C ATOM 708 O LEU A 494 -3.669 11.947 6.245 1.00 22.42 O ATOM 709 CB LEU A 494 -0.591 11.901 6.064 1.00 42.03 C ATOM 710 CG LEU A 494 0.910 11.509 6.057 1.00 65.21 C ATOM 711 CD1 LEU A 494 1.543 11.767 7.411 1.00 33.44 C ATOM 712 CD2 LEU A 494 1.134 10.067 5.622 1.00 74.55 C ATOM 0 H LEU A 494 -1.241 9.477 5.870 1.00 41.05 H new ATOM 0 HA LEU A 494 -1.047 11.162 8.040 1.00 4.41 H new ATOM 0 HB2 LEU A 494 -0.983 11.736 5.060 1.00 42.03 H new ATOM 0 HB3 LEU A 494 -0.654 12.972 6.259 1.00 42.03 H new ATOM 0 HG LEU A 494 1.398 12.143 5.317 1.00 65.21 H new ATOM 0 HD11 LEU A 494 2.595 11.484 7.381 1.00 33.44 H new ATOM 0 HD12 LEU A 494 1.459 12.826 7.656 1.00 33.44 H new ATOM 0 HD13 LEU A 494 1.031 11.177 8.171 1.00 33.44 H new ATOM 0 HD21 LEU A 494 2.201 9.845 5.635 1.00 74.55 H new ATOM 0 HD22 LEU A 494 0.615 9.396 6.306 1.00 74.55 H new ATOM 0 HD23 LEU A 494 0.746 9.927 4.613 1.00 74.55 H new ATOM 724 N PRO A 495 -3.045 12.695 8.304 1.00 74.31 N ATOM 725 CA PRO A 495 -4.323 13.407 8.654 1.00 42.43 C ATOM 726 C PRO A 495 -4.630 14.607 7.766 1.00 61.44 C ATOM 727 O PRO A 495 -5.484 15.429 8.089 1.00 71.02 O ATOM 728 CB PRO A 495 -4.034 13.912 10.069 1.00 24.24 C ATOM 729 CG PRO A 495 -2.564 14.087 10.101 1.00 43.50 C ATOM 730 CD PRO A 495 -2.013 12.925 9.340 1.00 2.41 C ATOM 0 HA PRO A 495 -5.182 12.746 8.542 1.00 42.43 H new ATOM 0 HB2 PRO A 495 -4.551 14.850 10.270 1.00 24.24 H new ATOM 0 HB3 PRO A 495 -4.366 13.197 10.822 1.00 24.24 H new ATOM 0 HG2 PRO A 495 -2.270 15.032 9.644 1.00 43.50 H new ATOM 0 HG3 PRO A 495 -2.191 14.099 11.125 1.00 43.50 H new ATOM 0 HD2 PRO A 495 -1.042 13.153 8.900 1.00 2.41 H new ATOM 0 HD3 PRO A 495 -1.877 12.051 9.977 1.00 2.41 H new ATOM 738 N ARG A 496 -3.954 14.689 6.664 1.00 20.12 N ATOM 739 CA ARG A 496 -4.088 15.802 5.753 1.00 74.41 C ATOM 740 C ARG A 496 -3.490 15.470 4.388 1.00 52.31 C ATOM 741 O ARG A 496 -3.290 16.327 3.541 1.00 2.03 O ATOM 742 CB ARG A 496 -3.405 16.998 6.320 1.00 23.33 C ATOM 743 CG ARG A 496 -1.953 16.753 6.659 1.00 35.14 C ATOM 744 CD ARG A 496 -1.290 18.021 7.122 1.00 13.30 C ATOM 745 NE ARG A 496 0.157 17.856 7.345 1.00 2.21 N ATOM 746 CZ ARG A 496 0.826 18.342 8.402 1.00 4.44 C ATOM 747 NH1 ARG A 496 0.177 19.012 9.347 1.00 11.24 N ATOM 748 NH2 ARG A 496 2.139 18.162 8.506 1.00 41.31 N ATOM 0 H ARG A 496 -3.284 13.982 6.360 1.00 20.12 H new ATOM 0 HA ARG A 496 -5.150 16.010 5.621 1.00 74.41 H new ATOM 0 HB2 ARG A 496 -3.470 17.818 5.605 1.00 23.33 H new ATOM 0 HB3 ARG A 496 -3.932 17.316 7.219 1.00 23.33 H new ATOM 0 HG2 ARG A 496 -1.880 15.994 7.438 1.00 35.14 H new ATOM 0 HG3 ARG A 496 -1.432 16.363 5.785 1.00 35.14 H new ATOM 0 HD2 ARG A 496 -1.453 18.803 6.380 1.00 13.30 H new ATOM 0 HD3 ARG A 496 -1.760 18.356 8.047 1.00 13.30 H new ATOM 0 HE ARG A 496 0.688 17.336 6.647 1.00 2.21 H new ATOM 0 HH11 ARG A 496 -0.830 19.157 9.269 1.00 11.24 H new ATOM 0 HH12 ARG A 496 0.685 19.382 10.151 1.00 11.24 H new ATOM 0 HH21 ARG A 496 2.643 17.652 7.780 1.00 41.31 H new ATOM 0 HH22 ARG A 496 2.642 18.534 9.312 1.00 41.31 H new ATOM 762 N GLY A 497 -3.212 14.231 4.183 1.00 60.23 N ATOM 763 CA GLY A 497 -2.678 13.811 2.906 1.00 4.44 C ATOM 764 C GLY A 497 -3.773 13.557 1.905 1.00 24.21 C ATOM 765 O GLY A 497 -4.923 13.786 2.198 1.00 3.40 O ATOM 0 H GLY A 497 -3.339 13.485 4.867 1.00 60.23 H new ATOM 0 HA2 GLY A 497 -2.004 14.577 2.523 1.00 4.44 H new ATOM 0 HA3 GLY A 497 -2.087 12.904 3.038 1.00 4.44 H new ATOM 769 N ALA A 498 -3.432 13.064 0.719 1.00 21.45 N ATOM 770 CA ALA A 498 -4.470 12.825 -0.300 1.00 53.21 C ATOM 771 C ALA A 498 -5.473 11.796 0.180 1.00 11.34 C ATOM 772 O ALA A 498 -6.609 11.828 -0.199 1.00 65.41 O ATOM 773 CB ALA A 498 -3.889 12.365 -1.608 1.00 72.34 C ATOM 0 H ALA A 498 -2.481 12.826 0.437 1.00 21.45 H new ATOM 0 HA ALA A 498 -4.968 13.781 -0.460 1.00 53.21 H new ATOM 0 HB1 ALA A 498 -4.693 12.202 -2.326 1.00 72.34 H new ATOM 0 HB2 ALA A 498 -3.208 13.125 -1.991 1.00 72.34 H new ATOM 0 HB3 ALA A 498 -3.344 11.433 -1.456 1.00 72.34 H new ATOM 779 N ALA A 499 -5.019 10.899 1.048 1.00 40.33 N ATOM 780 CA ALA A 499 -5.855 9.830 1.563 1.00 53.03 C ATOM 781 C ALA A 499 -7.084 10.372 2.279 1.00 20.22 C ATOM 782 O ALA A 499 -8.159 9.853 2.120 1.00 20.23 O ATOM 783 CB ALA A 499 -5.052 8.943 2.472 1.00 12.40 C ATOM 0 H ALA A 499 -4.066 10.895 1.411 1.00 40.33 H new ATOM 0 HA ALA A 499 -6.210 9.241 0.718 1.00 53.03 H new ATOM 0 HB1 ALA A 499 -5.687 8.144 2.854 1.00 12.40 H new ATOM 0 HB2 ALA A 499 -4.219 8.511 1.917 1.00 12.40 H new ATOM 0 HB3 ALA A 499 -4.666 9.530 3.306 1.00 12.40 H new ATOM 789 N ILE A 500 -6.909 11.413 3.057 1.00 1.45 N ATOM 790 CA ILE A 500 -8.022 12.028 3.760 1.00 31.41 C ATOM 791 C ILE A 500 -8.828 12.950 2.840 1.00 34.30 C ATOM 792 O ILE A 500 -10.062 13.001 2.915 1.00 22.13 O ATOM 793 CB ILE A 500 -7.548 12.773 5.019 1.00 71.31 C ATOM 794 CG1 ILE A 500 -8.709 13.359 5.799 1.00 73.14 C ATOM 795 CG2 ILE A 500 -6.548 13.841 4.685 1.00 3.21 C ATOM 796 CD1 ILE A 500 -8.268 14.080 7.030 1.00 54.34 C ATOM 0 H ILE A 500 -6.006 11.857 3.223 1.00 1.45 H new ATOM 0 HA ILE A 500 -8.685 11.225 4.082 1.00 31.41 H new ATOM 0 HB ILE A 500 -7.058 12.034 5.653 1.00 71.31 H new ATOM 0 HG12 ILE A 500 -9.262 14.046 5.159 1.00 73.14 H new ATOM 0 HG13 ILE A 500 -9.396 12.559 6.077 1.00 73.14 H new ATOM 0 HG21 ILE A 500 -6.236 14.346 5.599 1.00 3.21 H new ATOM 0 HG22 ILE A 500 -5.680 13.389 4.205 1.00 3.21 H new ATOM 0 HG23 ILE A 500 -7.001 14.565 4.007 1.00 3.21 H new ATOM 0 HD11 ILE A 500 -9.139 14.479 7.550 1.00 54.34 H new ATOM 0 HD12 ILE A 500 -7.739 13.389 7.686 1.00 54.34 H new ATOM 0 HD13 ILE A 500 -7.604 14.899 6.754 1.00 54.34 H new ATOM 808 N GLN A 501 -8.117 13.645 1.951 1.00 35.12 N ATOM 809 CA GLN A 501 -8.729 14.586 1.026 1.00 30.35 C ATOM 810 C GLN A 501 -9.609 13.848 0.032 1.00 14.42 C ATOM 811 O GLN A 501 -10.705 14.295 -0.301 1.00 1.12 O ATOM 812 CB GLN A 501 -7.653 15.406 0.284 1.00 33.41 C ATOM 813 CG GLN A 501 -6.691 16.203 1.194 1.00 40.12 C ATOM 814 CD GLN A 501 -7.376 17.236 2.098 1.00 55.45 C ATOM 815 OE1 GLN A 501 -8.517 17.075 2.511 1.00 62.11 O ATOM 816 NE2 GLN A 501 -6.672 18.292 2.432 1.00 13.40 N ATOM 0 H GLN A 501 -7.104 13.568 1.856 1.00 35.12 H new ATOM 0 HA GLN A 501 -9.348 15.276 1.599 1.00 30.35 H new ATOM 0 HB2 GLN A 501 -7.065 14.728 -0.335 1.00 33.41 H new ATOM 0 HB3 GLN A 501 -8.151 16.103 -0.391 1.00 33.41 H new ATOM 0 HG2 GLN A 501 -6.139 15.502 1.820 1.00 40.12 H new ATOM 0 HG3 GLN A 501 -5.960 16.715 0.568 1.00 40.12 H new ATOM 0 HE21 GLN A 501 -5.723 18.406 2.076 1.00 13.40 H new ATOM 0 HE22 GLN A 501 -7.074 18.999 3.048 1.00 13.40 H new ATOM 825 N ASP A 502 -9.132 12.711 -0.411 1.00 11.24 N ATOM 826 CA ASP A 502 -9.870 11.879 -1.333 1.00 71.22 C ATOM 827 C ASP A 502 -10.699 10.854 -0.607 1.00 5.41 C ATOM 828 O ASP A 502 -11.657 10.315 -1.169 1.00 33.41 O ATOM 829 CB ASP A 502 -8.974 11.223 -2.382 1.00 42.01 C ATOM 830 CG ASP A 502 -8.466 12.196 -3.435 1.00 71.33 C ATOM 831 OD1 ASP A 502 -9.220 12.465 -4.406 1.00 64.40 O ATOM 832 OD2 ASP A 502 -7.324 12.700 -3.326 1.00 60.42 O ATOM 0 H ASP A 502 -8.222 12.335 -0.144 1.00 11.24 H new ATOM 0 HA ASP A 502 -10.548 12.542 -1.871 1.00 71.22 H new ATOM 0 HB2 ASP A 502 -8.122 10.761 -1.884 1.00 42.01 H new ATOM 0 HB3 ASP A 502 -9.528 10.423 -2.874 1.00 42.01 H new ATOM 837 N GLY A 503 -10.320 10.532 0.627 1.00 43.44 N ATOM 838 CA GLY A 503 -11.167 9.710 1.449 1.00 41.41 C ATOM 839 C GLY A 503 -11.038 8.212 1.272 1.00 4.11 C ATOM 840 O GLY A 503 -10.764 7.484 2.222 1.00 32.02 O ATOM 0 H GLY A 503 -9.446 10.827 1.063 1.00 43.44 H new ATOM 0 HA2 GLY A 503 -10.963 9.948 2.493 1.00 41.41 H new ATOM 0 HA3 GLY A 503 -12.203 9.988 1.255 1.00 41.41 H new ATOM 844 N ARG A 504 -11.249 7.778 0.053 1.00 42.15 N ATOM 845 CA ARG A 504 -11.345 6.367 -0.344 1.00 44.21 C ATOM 846 C ARG A 504 -10.247 5.435 0.231 1.00 52.42 C ATOM 847 O ARG A 504 -10.516 4.265 0.499 1.00 35.34 O ATOM 848 CB ARG A 504 -11.402 6.272 -1.871 1.00 72.51 C ATOM 849 CG ARG A 504 -12.603 6.993 -2.487 1.00 73.51 C ATOM 850 CD ARG A 504 -12.575 6.960 -4.013 1.00 12.43 C ATOM 851 NE ARG A 504 -12.604 5.593 -4.545 1.00 11.30 N ATOM 852 CZ ARG A 504 -12.415 5.259 -5.829 1.00 12.34 C ATOM 853 NH1 ARG A 504 -12.203 6.202 -6.757 1.00 72.11 N ATOM 854 NH2 ARG A 504 -12.453 3.985 -6.182 1.00 4.43 N ATOM 0 H ARG A 504 -11.366 8.415 -0.735 1.00 42.15 H new ATOM 0 HA ARG A 504 -12.267 5.994 0.102 1.00 44.21 H new ATOM 0 HB2 ARG A 504 -10.486 6.691 -2.287 1.00 72.51 H new ATOM 0 HB3 ARG A 504 -11.432 5.221 -2.160 1.00 72.51 H new ATOM 0 HG2 ARG A 504 -13.524 6.530 -2.132 1.00 73.51 H new ATOM 0 HG3 ARG A 504 -12.616 8.029 -2.148 1.00 73.51 H new ATOM 0 HD2 ARG A 504 -13.429 7.516 -4.401 1.00 12.43 H new ATOM 0 HD3 ARG A 504 -11.677 7.466 -4.368 1.00 12.43 H new ATOM 0 HE ARG A 504 -12.782 4.836 -3.885 1.00 11.30 H new ATOM 0 HH11 ARG A 504 -12.184 7.186 -6.489 1.00 72.11 H new ATOM 0 HH12 ARG A 504 -12.060 5.936 -7.731 1.00 72.11 H new ATOM 0 HH21 ARG A 504 -12.625 3.266 -5.479 1.00 4.43 H new ATOM 0 HH22 ARG A 504 -12.310 3.721 -7.157 1.00 4.43 H new ATOM 868 N LEU A 505 -9.065 5.951 0.459 1.00 3.13 N ATOM 869 CA LEU A 505 -7.942 5.137 0.928 1.00 71.22 C ATOM 870 C LEU A 505 -7.773 5.250 2.443 1.00 50.12 C ATOM 871 O LEU A 505 -7.785 6.355 2.985 1.00 53.32 O ATOM 872 CB LEU A 505 -6.665 5.609 0.232 1.00 61.34 C ATOM 873 CG LEU A 505 -5.368 4.873 0.560 1.00 44.54 C ATOM 874 CD1 LEU A 505 -5.454 3.404 0.178 1.00 31.31 C ATOM 875 CD2 LEU A 505 -4.222 5.530 -0.156 1.00 44.20 C ATOM 0 H LEU A 505 -8.842 6.938 0.330 1.00 3.13 H new ATOM 0 HA LEU A 505 -8.141 4.093 0.688 1.00 71.22 H new ATOM 0 HB2 LEU A 505 -6.825 5.544 -0.844 1.00 61.34 H new ATOM 0 HB3 LEU A 505 -6.523 6.663 0.470 1.00 61.34 H new ATOM 0 HG LEU A 505 -5.204 4.927 1.636 1.00 44.54 H new ATOM 0 HD11 LEU A 505 -4.515 2.908 0.424 1.00 31.31 H new ATOM 0 HD12 LEU A 505 -6.268 2.932 0.728 1.00 31.31 H new ATOM 0 HD13 LEU A 505 -5.640 3.317 -0.892 1.00 31.31 H new ATOM 0 HD21 LEU A 505 -3.297 5.004 0.079 1.00 44.20 H new ATOM 0 HD22 LEU A 505 -4.397 5.495 -1.231 1.00 44.20 H new ATOM 0 HD23 LEU A 505 -4.140 6.569 0.164 1.00 44.20 H new ATOM 887 N LYS A 506 -7.629 4.110 3.125 1.00 41.44 N ATOM 888 CA LYS A 506 -7.346 4.120 4.551 1.00 31.33 C ATOM 889 C LYS A 506 -6.412 2.985 4.927 1.00 14.05 C ATOM 890 O LYS A 506 -6.222 2.059 4.154 1.00 14.23 O ATOM 891 CB LYS A 506 -8.597 4.170 5.478 1.00 54.00 C ATOM 892 CG LYS A 506 -9.624 3.048 5.316 1.00 12.23 C ATOM 893 CD LYS A 506 -10.443 3.168 4.038 1.00 72.24 C ATOM 894 CE LYS A 506 -11.251 4.460 4.023 1.00 10.20 C ATOM 895 NZ LYS A 506 -12.152 4.535 2.863 1.00 63.11 N ATOM 0 H LYS A 506 -7.704 3.180 2.712 1.00 41.44 H new ATOM 0 HA LYS A 506 -6.844 5.070 4.732 1.00 31.33 H new ATOM 0 HB2 LYS A 506 -8.253 4.168 6.512 1.00 54.00 H new ATOM 0 HB3 LYS A 506 -9.104 5.121 5.312 1.00 54.00 H new ATOM 0 HG2 LYS A 506 -9.108 2.088 5.321 1.00 12.23 H new ATOM 0 HG3 LYS A 506 -10.297 3.053 6.173 1.00 12.23 H new ATOM 0 HD2 LYS A 506 -9.780 3.140 3.173 1.00 72.24 H new ATOM 0 HD3 LYS A 506 -11.115 2.314 3.952 1.00 72.24 H new ATOM 0 HE2 LYS A 506 -11.835 4.533 4.940 1.00 10.20 H new ATOM 0 HE3 LYS A 506 -10.571 5.312 4.009 1.00 10.20 H new ATOM 0 HZ1 LYS A 506 -12.580 5.482 2.817 1.00 63.11 H new ATOM 0 HZ2 LYS A 506 -11.612 4.356 1.992 1.00 63.11 H new ATOM 0 HZ3 LYS A 506 -12.901 3.820 2.959 1.00 63.11 H new ATOM 909 N ALA A 507 -5.839 3.059 6.107 1.00 62.04 N ATOM 910 CA ALA A 507 -4.844 2.098 6.527 1.00 71.35 C ATOM 911 C ALA A 507 -5.474 0.841 7.096 1.00 61.21 C ATOM 912 O ALA A 507 -5.921 0.812 8.251 1.00 43.44 O ATOM 913 CB ALA A 507 -3.867 2.726 7.515 1.00 3.53 C ATOM 0 H ALA A 507 -6.047 3.780 6.798 1.00 62.04 H new ATOM 0 HA ALA A 507 -4.284 1.798 5.641 1.00 71.35 H new ATOM 0 HB1 ALA A 507 -3.128 1.984 7.817 1.00 3.53 H new ATOM 0 HB2 ALA A 507 -3.363 3.569 7.042 1.00 3.53 H new ATOM 0 HB3 ALA A 507 -4.411 3.074 8.393 1.00 3.53 H new ATOM 919 N GLY A 508 -5.554 -0.168 6.274 1.00 44.42 N ATOM 920 CA GLY A 508 -6.070 -1.442 6.700 1.00 14.01 C ATOM 921 C GLY A 508 -6.192 -2.389 5.544 1.00 12.43 C ATOM 922 O GLY A 508 -7.050 -3.283 5.534 1.00 51.24 O ATOM 0 H GLY A 508 -5.266 -0.133 5.296 1.00 44.42 H new ATOM 0 HA2 GLY A 508 -5.412 -1.870 7.457 1.00 14.01 H new ATOM 0 HA3 GLY A 508 -7.046 -1.305 7.166 1.00 14.01 H new ATOM 926 N ASP A 509 -5.336 -2.212 4.566 1.00 53.23 N ATOM 927 CA ASP A 509 -5.377 -3.023 3.369 1.00 31.53 C ATOM 928 C ASP A 509 -3.991 -3.214 2.797 1.00 55.12 C ATOM 929 O ASP A 509 -2.998 -2.683 3.338 1.00 73.43 O ATOM 930 CB ASP A 509 -6.317 -2.418 2.308 1.00 63.41 C ATOM 931 CG ASP A 509 -5.909 -1.055 1.843 1.00 34.55 C ATOM 932 OD1 ASP A 509 -4.959 -0.944 1.094 1.00 21.45 O ATOM 933 OD2 ASP A 509 -6.582 -0.087 2.239 1.00 74.42 O ATOM 0 H ASP A 509 -4.597 -1.509 4.575 1.00 53.23 H new ATOM 0 HA ASP A 509 -5.773 -3.999 3.651 1.00 31.53 H new ATOM 0 HB2 ASP A 509 -6.358 -3.087 1.449 1.00 63.41 H new ATOM 0 HB3 ASP A 509 -7.325 -2.365 2.718 1.00 63.41 H new ATOM 938 N ARG A 510 -3.919 -3.978 1.729 1.00 43.12 N ATOM 939 CA ARG A 510 -2.678 -4.264 1.070 1.00 15.13 C ATOM 940 C ARG A 510 -2.613 -3.503 -0.228 1.00 64.52 C ATOM 941 O ARG A 510 -3.535 -3.576 -1.040 1.00 23.33 O ATOM 942 CB ARG A 510 -2.554 -5.760 0.772 1.00 72.41 C ATOM 943 CG ARG A 510 -1.211 -6.143 0.170 1.00 21.31 C ATOM 944 CD ARG A 510 -1.147 -7.599 -0.225 1.00 15.54 C ATOM 945 NE ARG A 510 -1.332 -8.508 0.914 1.00 42.50 N ATOM 946 CZ ARG A 510 -1.654 -9.800 0.816 1.00 30.12 C ATOM 947 NH1 ARG A 510 -1.774 -10.375 -0.377 1.00 30.45 N ATOM 948 NH2 ARG A 510 -1.816 -10.517 1.914 1.00 72.32 N ATOM 0 H ARG A 510 -4.731 -4.418 1.296 1.00 43.12 H new ATOM 0 HA ARG A 510 -1.862 -3.964 1.727 1.00 15.13 H new ATOM 0 HB2 ARG A 510 -2.704 -6.321 1.694 1.00 72.41 H new ATOM 0 HB3 ARG A 510 -3.349 -6.054 0.087 1.00 72.41 H new ATOM 0 HG2 ARG A 510 -1.020 -5.524 -0.706 1.00 21.31 H new ATOM 0 HG3 ARG A 510 -0.420 -5.930 0.889 1.00 21.31 H new ATOM 0 HD2 ARG A 510 -1.913 -7.801 -0.973 1.00 15.54 H new ATOM 0 HD3 ARG A 510 -0.183 -7.802 -0.693 1.00 15.54 H new ATOM 0 HE ARG A 510 -1.205 -8.123 1.850 1.00 42.50 H new ATOM 0 HH11 ARG A 510 -1.620 -9.829 -1.224 1.00 30.45 H new ATOM 0 HH12 ARG A 510 -2.020 -11.363 -0.445 1.00 30.45 H new ATOM 0 HH21 ARG A 510 -1.695 -10.083 2.829 1.00 72.32 H new ATOM 0 HH22 ARG A 510 -2.062 -11.505 1.847 1.00 72.32 H new ATOM 962 N LEU A 511 -1.540 -2.806 -0.434 1.00 32.55 N ATOM 963 CA LEU A 511 -1.349 -2.076 -1.627 1.00 22.50 C ATOM 964 C LEU A 511 -0.799 -3.038 -2.687 1.00 54.42 C ATOM 965 O LEU A 511 0.248 -3.659 -2.482 1.00 2.12 O ATOM 966 CB LEU A 511 -0.371 -0.947 -1.358 1.00 4.34 C ATOM 967 CG LEU A 511 -0.231 0.088 -2.448 1.00 31.14 C ATOM 968 CD1 LEU A 511 -1.556 0.782 -2.678 1.00 74.21 C ATOM 969 CD2 LEU A 511 0.841 1.081 -2.082 1.00 13.23 C ATOM 0 H LEU A 511 -0.771 -2.733 0.232 1.00 32.55 H new ATOM 0 HA LEU A 511 -2.284 -1.644 -1.984 1.00 22.50 H new ATOM 0 HB2 LEU A 511 -0.676 -0.441 -0.442 1.00 4.34 H new ATOM 0 HB3 LEU A 511 0.611 -1.382 -1.170 1.00 4.34 H new ATOM 0 HG LEU A 511 0.062 -0.405 -3.375 1.00 31.14 H new ATOM 0 HD11 LEU A 511 -1.445 1.527 -3.466 1.00 74.21 H new ATOM 0 HD12 LEU A 511 -2.304 0.048 -2.976 1.00 74.21 H new ATOM 0 HD13 LEU A 511 -1.875 1.272 -1.758 1.00 74.21 H new ATOM 0 HD21 LEU A 511 0.935 1.824 -2.874 1.00 13.23 H new ATOM 0 HD22 LEU A 511 0.574 1.577 -1.149 1.00 13.23 H new ATOM 0 HD23 LEU A 511 1.791 0.561 -1.957 1.00 13.23 H new ATOM 981 N ILE A 512 -1.509 -3.187 -3.785 1.00 40.03 N ATOM 982 CA ILE A 512 -1.107 -4.134 -4.832 1.00 40.02 C ATOM 983 C ILE A 512 -0.363 -3.430 -5.949 1.00 71.22 C ATOM 984 O ILE A 512 0.687 -3.907 -6.418 1.00 24.21 O ATOM 985 CB ILE A 512 -2.330 -4.900 -5.409 1.00 51.33 C ATOM 986 CG1 ILE A 512 -3.065 -5.691 -4.312 1.00 33.43 C ATOM 987 CG2 ILE A 512 -1.927 -5.825 -6.562 1.00 30.02 C ATOM 988 CD1 ILE A 512 -2.225 -6.755 -3.631 1.00 43.13 C ATOM 0 H ILE A 512 -2.366 -2.672 -3.986 1.00 40.03 H new ATOM 0 HA ILE A 512 -0.438 -4.858 -4.368 1.00 40.02 H new ATOM 0 HB ILE A 512 -3.016 -4.152 -5.806 1.00 51.33 H new ATOM 0 HG12 ILE A 512 -3.424 -4.992 -3.557 1.00 33.43 H new ATOM 0 HG13 ILE A 512 -3.943 -6.165 -4.751 1.00 33.43 H new ATOM 0 HG21 ILE A 512 -2.809 -6.343 -6.938 1.00 30.02 H new ATOM 0 HG22 ILE A 512 -1.483 -5.235 -7.364 1.00 30.02 H new ATOM 0 HG23 ILE A 512 -1.202 -6.556 -6.205 1.00 30.02 H new ATOM 0 HD11 ILE A 512 -2.823 -7.261 -2.873 1.00 43.13 H new ATOM 0 HD12 ILE A 512 -1.887 -7.481 -4.371 1.00 43.13 H new ATOM 0 HD13 ILE A 512 -1.360 -6.289 -3.159 1.00 43.13 H new ATOM 1000 N GLU A 513 -0.893 -2.318 -6.381 1.00 1.43 N ATOM 1001 CA GLU A 513 -0.264 -1.547 -7.411 1.00 41.51 C ATOM 1002 C GLU A 513 -0.665 -0.093 -7.292 1.00 14.43 C ATOM 1003 O GLU A 513 -1.786 0.229 -6.884 1.00 45.51 O ATOM 1004 CB GLU A 513 -0.596 -2.083 -8.824 1.00 63.24 C ATOM 1005 CG GLU A 513 -2.064 -2.084 -9.163 1.00 62.41 C ATOM 1006 CD GLU A 513 -2.349 -2.445 -10.591 1.00 33.43 C ATOM 1007 OE1 GLU A 513 -2.424 -3.647 -10.916 1.00 72.33 O ATOM 1008 OE2 GLU A 513 -2.537 -1.517 -11.416 1.00 34.43 O ATOM 0 H GLU A 513 -1.767 -1.926 -6.030 1.00 1.43 H new ATOM 0 HA GLU A 513 0.814 -1.636 -7.276 1.00 41.51 H new ATOM 0 HB2 GLU A 513 -0.066 -1.480 -9.561 1.00 63.24 H new ATOM 0 HB3 GLU A 513 -0.215 -3.101 -8.912 1.00 63.24 H new ATOM 0 HG2 GLU A 513 -2.579 -2.788 -8.509 1.00 62.41 H new ATOM 0 HG3 GLU A 513 -2.477 -1.096 -8.957 1.00 62.41 H new ATOM 1015 N VAL A 514 0.241 0.765 -7.624 1.00 10.23 N ATOM 1016 CA VAL A 514 0.024 2.158 -7.635 1.00 31.45 C ATOM 1017 C VAL A 514 0.514 2.682 -8.968 1.00 4.41 C ATOM 1018 O VAL A 514 1.599 2.321 -9.423 1.00 62.24 O ATOM 1019 CB VAL A 514 0.706 2.866 -6.415 1.00 71.02 C ATOM 1020 CG1 VAL A 514 2.122 2.435 -6.277 1.00 32.23 C ATOM 1021 CG2 VAL A 514 0.667 4.361 -6.559 1.00 63.55 C ATOM 0 H VAL A 514 1.185 0.497 -7.904 1.00 10.23 H new ATOM 0 HA VAL A 514 -1.038 2.379 -7.526 1.00 31.45 H new ATOM 0 HB VAL A 514 0.147 2.578 -5.525 1.00 71.02 H new ATOM 0 HG11 VAL A 514 2.574 2.940 -5.423 1.00 32.23 H new ATOM 0 HG12 VAL A 514 2.161 1.357 -6.123 1.00 32.23 H new ATOM 0 HG13 VAL A 514 2.671 2.692 -7.183 1.00 32.23 H new ATOM 0 HG21 VAL A 514 1.148 4.822 -5.697 1.00 63.55 H new ATOM 0 HG22 VAL A 514 1.194 4.653 -7.468 1.00 63.55 H new ATOM 0 HG23 VAL A 514 -0.369 4.694 -6.618 1.00 63.55 H new ATOM 1031 N ASN A 515 -0.340 3.442 -9.628 1.00 72.30 N ATOM 1032 CA ASN A 515 -0.076 4.002 -10.972 1.00 31.43 C ATOM 1033 C ASN A 515 -0.022 2.931 -12.054 1.00 74.33 C ATOM 1034 O ASN A 515 0.248 3.226 -13.210 1.00 62.54 O ATOM 1035 CB ASN A 515 1.197 4.874 -11.006 1.00 55.33 C ATOM 1036 CG ASN A 515 1.033 6.226 -10.356 1.00 54.12 C ATOM 1037 OD1 ASN A 515 -0.113 6.852 -10.546 1.00 44.50 O flip ATOM 1038 ND2 ASN A 515 1.954 6.738 -9.745 1.00 14.12 N flip ATOM 0 H ASN A 515 -1.253 3.700 -9.254 1.00 72.30 H new ATOM 0 HA ASN A 515 -0.927 4.647 -11.192 1.00 31.43 H new ATOM 0 HB2 ASN A 515 2.005 4.338 -10.508 1.00 55.33 H new ATOM 0 HB3 ASN A 515 1.500 5.015 -12.043 1.00 55.33 H new ATOM 0 HD21 ASN A 515 2.827 6.227 -9.616 1.00 14.12 H new ATOM 0 HD22 ASN A 515 1.852 7.678 -9.363 1.00 14.12 H new ATOM 1045 N GLY A 516 -0.307 1.705 -11.680 1.00 21.45 N ATOM 1046 CA GLY A 516 -0.269 0.615 -12.618 1.00 53.55 C ATOM 1047 C GLY A 516 0.954 -0.249 -12.434 1.00 2.25 C ATOM 1048 O GLY A 516 1.082 -1.307 -13.062 1.00 12.40 O ATOM 0 H GLY A 516 -0.568 1.441 -10.730 1.00 21.45 H new ATOM 0 HA2 GLY A 516 -1.165 0.005 -12.501 1.00 53.55 H new ATOM 0 HA3 GLY A 516 -0.284 1.010 -13.634 1.00 53.55 H new ATOM 1052 N VAL A 517 1.845 0.193 -11.571 1.00 31.15 N ATOM 1053 CA VAL A 517 3.072 -0.530 -11.289 1.00 35.42 C ATOM 1054 C VAL A 517 2.827 -1.549 -10.189 1.00 33.40 C ATOM 1055 O VAL A 517 2.359 -1.199 -9.105 1.00 32.34 O ATOM 1056 CB VAL A 517 4.204 0.440 -10.866 1.00 34.11 C ATOM 1057 CG1 VAL A 517 5.486 -0.314 -10.554 1.00 14.20 C ATOM 1058 CG2 VAL A 517 4.449 1.458 -11.957 1.00 1.10 C ATOM 0 H VAL A 517 1.742 1.061 -11.045 1.00 31.15 H new ATOM 0 HA VAL A 517 3.385 -1.043 -12.198 1.00 35.42 H new ATOM 0 HB VAL A 517 3.888 0.956 -9.959 1.00 34.11 H new ATOM 0 HG11 VAL A 517 6.262 0.393 -10.260 1.00 14.20 H new ATOM 0 HG12 VAL A 517 5.307 -1.015 -9.739 1.00 14.20 H new ATOM 0 HG13 VAL A 517 5.810 -0.862 -11.439 1.00 14.20 H new ATOM 0 HG21 VAL A 517 5.246 2.135 -11.650 1.00 1.10 H new ATOM 0 HG22 VAL A 517 4.741 0.946 -12.874 1.00 1.10 H new ATOM 0 HG23 VAL A 517 3.537 2.028 -12.134 1.00 1.10 H new ATOM 1068 N ASP A 518 3.161 -2.795 -10.470 1.00 31.11 N ATOM 1069 CA ASP A 518 2.921 -3.898 -9.546 1.00 20.34 C ATOM 1070 C ASP A 518 3.982 -3.931 -8.476 1.00 15.11 C ATOM 1071 O ASP A 518 5.174 -3.788 -8.759 1.00 30.33 O ATOM 1072 CB ASP A 518 2.825 -5.252 -10.285 1.00 73.15 C ATOM 1073 CG ASP A 518 4.077 -5.631 -11.057 1.00 43.42 C ATOM 1074 OD1 ASP A 518 4.331 -5.020 -12.124 1.00 22.42 O ATOM 1075 OD2 ASP A 518 4.798 -6.572 -10.639 1.00 64.11 O ATOM 0 H ASP A 518 3.606 -3.075 -11.344 1.00 31.11 H new ATOM 0 HA ASP A 518 1.957 -3.728 -9.066 1.00 20.34 H new ATOM 0 HB2 ASP A 518 2.609 -6.035 -9.558 1.00 73.15 H new ATOM 0 HB3 ASP A 518 1.983 -5.217 -10.976 1.00 73.15 H new ATOM 1080 N LEU A 519 3.553 -4.093 -7.253 1.00 5.41 N ATOM 1081 CA LEU A 519 4.456 -4.034 -6.105 1.00 3.25 C ATOM 1082 C LEU A 519 4.841 -5.413 -5.664 1.00 14.35 C ATOM 1083 O LEU A 519 5.879 -5.618 -5.042 1.00 22.33 O ATOM 1084 CB LEU A 519 3.739 -3.388 -4.964 1.00 44.54 C ATOM 1085 CG LEU A 519 2.935 -2.164 -5.303 1.00 25.40 C ATOM 1086 CD1 LEU A 519 2.293 -1.629 -4.074 1.00 1.32 C ATOM 1087 CD2 LEU A 519 3.765 -1.129 -6.003 1.00 22.14 C ATOM 0 H LEU A 519 2.578 -4.269 -7.012 1.00 5.41 H new ATOM 0 HA LEU A 519 5.346 -3.474 -6.394 1.00 3.25 H new ATOM 0 HB2 LEU A 519 3.072 -4.124 -4.515 1.00 44.54 H new ATOM 0 HB3 LEU A 519 4.473 -3.118 -4.205 1.00 44.54 H new ATOM 0 HG LEU A 519 2.150 -2.446 -6.004 1.00 25.40 H new ATOM 0 HD11 LEU A 519 1.711 -0.742 -4.324 1.00 1.32 H new ATOM 0 HD12 LEU A 519 1.635 -2.386 -3.648 1.00 1.32 H new ATOM 0 HD13 LEU A 519 3.061 -1.366 -3.347 1.00 1.32 H new ATOM 0 HD21 LEU A 519 3.147 -0.260 -6.231 1.00 22.14 H new ATOM 0 HD22 LEU A 519 4.591 -0.828 -5.358 1.00 22.14 H new ATOM 0 HD23 LEU A 519 4.161 -1.546 -6.929 1.00 22.14 H new ATOM 1099 N VAL A 520 4.003 -6.348 -6.015 1.00 23.20 N ATOM 1100 CA VAL A 520 4.090 -7.738 -5.630 1.00 55.31 C ATOM 1101 C VAL A 520 5.306 -8.483 -6.241 1.00 51.22 C ATOM 1102 O VAL A 520 5.427 -9.711 -6.129 1.00 50.23 O ATOM 1103 CB VAL A 520 2.769 -8.424 -6.003 1.00 51.12 C ATOM 1104 CG1 VAL A 520 1.618 -7.765 -5.235 1.00 33.02 C ATOM 1105 CG2 VAL A 520 2.515 -8.333 -7.506 1.00 63.42 C ATOM 0 H VAL A 520 3.196 -6.156 -6.609 1.00 23.20 H new ATOM 0 HA VAL A 520 4.254 -7.779 -4.553 1.00 55.31 H new ATOM 0 HB VAL A 520 2.833 -9.478 -5.733 1.00 51.12 H new ATOM 0 HG11 VAL A 520 0.679 -8.251 -5.499 1.00 33.02 H new ATOM 0 HG12 VAL A 520 1.790 -7.866 -4.164 1.00 33.02 H new ATOM 0 HG13 VAL A 520 1.565 -6.708 -5.496 1.00 33.02 H new ATOM 0 HG21 VAL A 520 1.573 -8.826 -7.746 1.00 63.42 H new ATOM 0 HG22 VAL A 520 2.462 -7.286 -7.803 1.00 63.42 H new ATOM 0 HG23 VAL A 520 3.328 -8.822 -8.043 1.00 63.42 H new ATOM 1115 N GLY A 521 6.187 -7.731 -6.858 1.00 2.03 N ATOM 1116 CA GLY A 521 7.392 -8.266 -7.412 1.00 13.12 C ATOM 1117 C GLY A 521 8.539 -7.287 -7.257 1.00 44.54 C ATOM 1118 O GLY A 521 9.555 -7.384 -7.955 1.00 14.41 O ATOM 0 H GLY A 521 6.080 -6.725 -6.986 1.00 2.03 H new ATOM 0 HA2 GLY A 521 7.640 -9.204 -6.916 1.00 13.12 H new ATOM 0 HA3 GLY A 521 7.242 -8.493 -8.468 1.00 13.12 H new ATOM 1122 N LYS A 522 8.380 -6.323 -6.347 1.00 43.33 N ATOM 1123 CA LYS A 522 9.409 -5.328 -6.114 1.00 32.11 C ATOM 1124 C LYS A 522 9.503 -4.921 -4.653 1.00 21.21 C ATOM 1125 O LYS A 522 8.688 -5.337 -3.827 1.00 51.10 O ATOM 1126 CB LYS A 522 9.249 -4.102 -7.013 1.00 64.34 C ATOM 1127 CG LYS A 522 7.926 -3.364 -6.923 1.00 5.55 C ATOM 1128 CD LYS A 522 7.959 -2.006 -7.652 1.00 63.23 C ATOM 1129 CE LYS A 522 8.202 -2.089 -9.182 1.00 72.31 C ATOM 1130 NZ LYS A 522 9.554 -2.598 -9.582 1.00 12.41 N ATOM 0 H LYS A 522 7.549 -6.217 -5.765 1.00 43.33 H new ATOM 0 HA LYS A 522 10.351 -5.808 -6.380 1.00 32.11 H new ATOM 0 HB2 LYS A 522 10.048 -3.399 -6.777 1.00 64.34 H new ATOM 0 HB3 LYS A 522 9.395 -4.416 -8.047 1.00 64.34 H new ATOM 0 HG2 LYS A 522 7.138 -3.984 -7.351 1.00 5.55 H new ATOM 0 HG3 LYS A 522 7.673 -3.204 -5.875 1.00 5.55 H new ATOM 0 HD2 LYS A 522 7.013 -1.494 -7.477 1.00 63.23 H new ATOM 0 HD3 LYS A 522 8.742 -1.391 -7.208 1.00 63.23 H new ATOM 0 HE2 LYS A 522 7.442 -2.736 -9.621 1.00 72.31 H new ATOM 0 HE3 LYS A 522 8.062 -1.097 -9.611 1.00 72.31 H new ATOM 0 HZ1 LYS A 522 9.845 -2.147 -10.473 1.00 12.41 H new ATOM 0 HZ2 LYS A 522 10.244 -2.371 -8.838 1.00 12.41 H new ATOM 0 HZ3 LYS A 522 9.512 -3.629 -9.713 1.00 12.41 H new ATOM 1144 N SER A 523 10.493 -4.100 -4.348 1.00 75.34 N ATOM 1145 CA SER A 523 10.785 -3.694 -2.991 1.00 75.01 C ATOM 1146 C SER A 523 10.099 -2.383 -2.606 1.00 75.02 C ATOM 1147 O SER A 523 9.719 -1.586 -3.468 1.00 52.12 O ATOM 1148 CB SER A 523 12.290 -3.536 -2.844 1.00 63.51 C ATOM 1149 OG SER A 523 12.957 -4.730 -3.204 1.00 13.45 O ATOM 0 H SER A 523 11.120 -3.695 -5.043 1.00 75.34 H new ATOM 0 HA SER A 523 10.401 -4.465 -2.323 1.00 75.01 H new ATOM 0 HB2 SER A 523 12.637 -2.716 -3.473 1.00 63.51 H new ATOM 0 HB3 SER A 523 12.534 -3.274 -1.815 1.00 63.51 H new ATOM 0 HG SER A 523 13.924 -4.607 -3.104 1.00 13.45 H new ATOM 1155 N GLN A 524 9.976 -2.176 -1.299 1.00 11.41 N ATOM 1156 CA GLN A 524 9.413 -0.963 -0.701 1.00 23.04 C ATOM 1157 C GLN A 524 10.013 0.311 -1.240 1.00 4.23 C ATOM 1158 O GLN A 524 9.292 1.210 -1.606 1.00 73.11 O ATOM 1159 CB GLN A 524 9.599 -1.013 0.802 1.00 2.44 C ATOM 1160 CG GLN A 524 8.535 -1.786 1.509 1.00 52.21 C ATOM 1161 CD GLN A 524 7.294 -0.963 1.651 1.00 13.32 C ATOM 1162 OE1 GLN A 524 7.366 0.248 1.768 1.00 63.31 O ATOM 1163 NE2 GLN A 524 6.167 -1.585 1.632 1.00 32.44 N ATOM 0 H GLN A 524 10.272 -2.863 -0.605 1.00 11.41 H new ATOM 0 HA GLN A 524 8.356 -0.944 -0.965 1.00 23.04 H new ATOM 0 HB2 GLN A 524 10.569 -1.457 1.025 1.00 2.44 H new ATOM 0 HB3 GLN A 524 9.617 0.005 1.192 1.00 2.44 H new ATOM 0 HG2 GLN A 524 8.312 -2.698 0.956 1.00 52.21 H new ATOM 0 HG3 GLN A 524 8.891 -2.090 2.493 1.00 52.21 H new ATOM 0 HE21 GLN A 524 6.146 -2.600 1.532 1.00 32.44 H new ATOM 0 HE22 GLN A 524 5.295 -1.063 1.716 1.00 32.44 H new ATOM 1172 N GLU A 525 11.324 0.369 -1.309 1.00 75.22 N ATOM 1173 CA GLU A 525 12.026 1.574 -1.753 1.00 33.13 C ATOM 1174 C GLU A 525 11.608 1.966 -3.163 1.00 23.02 C ATOM 1175 O GLU A 525 11.509 3.150 -3.495 1.00 5.32 O ATOM 1176 CB GLU A 525 13.542 1.406 -1.699 1.00 72.34 C ATOM 1177 CG GLU A 525 14.090 0.934 -0.362 1.00 42.34 C ATOM 1178 CD GLU A 525 13.823 -0.527 -0.102 1.00 70.15 C ATOM 1179 OE1 GLU A 525 14.431 -1.372 -0.778 1.00 2.12 O ATOM 1180 OE2 GLU A 525 12.986 -0.850 0.754 1.00 0.20 O ATOM 0 H GLU A 525 11.939 -0.407 -1.063 1.00 75.22 H new ATOM 0 HA GLU A 525 11.745 2.369 -1.062 1.00 33.13 H new ATOM 0 HB2 GLU A 525 13.841 0.694 -2.469 1.00 72.34 H new ATOM 0 HB3 GLU A 525 14.007 2.360 -1.949 1.00 72.34 H new ATOM 0 HG2 GLU A 525 15.165 1.113 -0.332 1.00 42.34 H new ATOM 0 HG3 GLU A 525 13.646 1.527 0.437 1.00 42.34 H new ATOM 1187 N GLU A 526 11.335 0.973 -3.970 1.00 52.43 N ATOM 1188 CA GLU A 526 10.888 1.187 -5.323 1.00 62.02 C ATOM 1189 C GLU A 526 9.505 1.801 -5.313 1.00 65.42 C ATOM 1190 O GLU A 526 9.202 2.697 -6.102 1.00 31.41 O ATOM 1191 CB GLU A 526 10.843 -0.129 -6.060 1.00 41.21 C ATOM 1192 CG GLU A 526 12.178 -0.799 -6.220 1.00 33.32 C ATOM 1193 CD GLU A 526 12.035 -2.115 -6.900 1.00 12.23 C ATOM 1194 OE1 GLU A 526 11.706 -2.135 -8.101 1.00 32.14 O ATOM 1195 OE2 GLU A 526 12.197 -3.154 -6.228 1.00 55.25 O ATOM 0 H GLU A 526 11.417 -0.009 -3.707 1.00 52.43 H new ATOM 0 HA GLU A 526 11.583 1.861 -5.824 1.00 62.02 H new ATOM 0 HB2 GLU A 526 10.172 -0.805 -5.530 1.00 41.21 H new ATOM 0 HB3 GLU A 526 10.413 0.037 -7.048 1.00 41.21 H new ATOM 0 HG2 GLU A 526 12.844 -0.158 -6.797 1.00 33.32 H new ATOM 0 HG3 GLU A 526 12.638 -0.939 -5.242 1.00 33.32 H new ATOM 1202 N VAL A 527 8.682 1.334 -4.396 1.00 11.55 N ATOM 1203 CA VAL A 527 7.323 1.797 -4.294 1.00 74.44 C ATOM 1204 C VAL A 527 7.297 3.188 -3.660 1.00 73.22 C ATOM 1205 O VAL A 527 6.504 4.037 -4.051 1.00 71.51 O ATOM 1206 CB VAL A 527 6.442 0.845 -3.445 1.00 11.13 C ATOM 1207 CG1 VAL A 527 4.969 1.213 -3.565 1.00 55.55 C ATOM 1208 CG2 VAL A 527 6.682 -0.622 -3.792 1.00 63.34 C ATOM 0 H VAL A 527 8.939 0.627 -3.707 1.00 11.55 H new ATOM 0 HA VAL A 527 6.916 1.826 -5.305 1.00 74.44 H new ATOM 0 HB VAL A 527 6.737 0.973 -2.404 1.00 11.13 H new ATOM 0 HG11 VAL A 527 4.373 0.530 -2.960 1.00 55.55 H new ATOM 0 HG12 VAL A 527 4.819 2.234 -3.214 1.00 55.55 H new ATOM 0 HG13 VAL A 527 4.659 1.139 -4.607 1.00 55.55 H new ATOM 0 HG21 VAL A 527 6.043 -1.252 -3.172 1.00 63.34 H new ATOM 0 HG22 VAL A 527 6.448 -0.790 -4.843 1.00 63.34 H new ATOM 0 HG23 VAL A 527 7.727 -0.873 -3.609 1.00 63.34 H new ATOM 1218 N VAL A 528 8.187 3.430 -2.690 1.00 12.40 N ATOM 1219 CA VAL A 528 8.206 4.725 -2.017 1.00 50.21 C ATOM 1220 C VAL A 528 8.618 5.817 -2.994 1.00 30.35 C ATOM 1221 O VAL A 528 8.016 6.865 -3.028 1.00 43.42 O ATOM 1222 CB VAL A 528 9.092 4.786 -0.715 1.00 2.11 C ATOM 1223 CG1 VAL A 528 8.788 3.661 0.261 1.00 34.43 C ATOM 1224 CG2 VAL A 528 10.582 4.918 -0.979 1.00 24.32 C ATOM 0 H VAL A 528 8.885 2.762 -2.363 1.00 12.40 H new ATOM 0 HA VAL A 528 7.185 4.888 -1.672 1.00 50.21 H new ATOM 0 HB VAL A 528 8.797 5.718 -0.233 1.00 2.11 H new ATOM 0 HG11 VAL A 528 9.429 3.756 1.137 1.00 34.43 H new ATOM 0 HG12 VAL A 528 7.744 3.718 0.568 1.00 34.43 H new ATOM 0 HG13 VAL A 528 8.973 2.701 -0.221 1.00 34.43 H new ATOM 0 HG21 VAL A 528 11.118 4.953 -0.030 1.00 24.32 H new ATOM 0 HG22 VAL A 528 10.926 4.062 -1.559 1.00 24.32 H new ATOM 0 HG23 VAL A 528 10.773 5.834 -1.537 1.00 24.32 H new ATOM 1234 N SER A 529 9.619 5.531 -3.808 1.00 73.32 N ATOM 1235 CA SER A 529 10.099 6.462 -4.832 1.00 24.43 C ATOM 1236 C SER A 529 8.963 6.795 -5.806 1.00 62.22 C ATOM 1237 O SER A 529 8.734 7.959 -6.157 1.00 21.53 O ATOM 1238 CB SER A 529 11.279 5.833 -5.573 1.00 74.12 C ATOM 1239 OG SER A 529 12.302 5.462 -4.657 1.00 42.22 O ATOM 0 H SER A 529 10.127 4.647 -3.783 1.00 73.32 H new ATOM 0 HA SER A 529 10.430 7.388 -4.362 1.00 24.43 H new ATOM 0 HB2 SER A 529 10.943 4.956 -6.126 1.00 74.12 H new ATOM 0 HB3 SER A 529 11.675 6.538 -6.303 1.00 74.12 H new ATOM 0 HG SER A 529 12.076 4.602 -4.245 1.00 42.22 H new ATOM 1245 N LEU A 530 8.246 5.758 -6.195 1.00 71.44 N ATOM 1246 CA LEU A 530 7.082 5.831 -7.039 1.00 73.33 C ATOM 1247 C LEU A 530 6.021 6.736 -6.382 1.00 34.21 C ATOM 1248 O LEU A 530 5.484 7.652 -7.014 1.00 3.21 O ATOM 1249 CB LEU A 530 6.610 4.373 -7.217 1.00 62.13 C ATOM 1250 CG LEU A 530 5.256 4.057 -7.828 1.00 74.20 C ATOM 1251 CD1 LEU A 530 5.080 4.644 -9.205 1.00 74.02 C ATOM 1252 CD2 LEU A 530 5.085 2.553 -7.889 1.00 31.42 C ATOM 0 H LEU A 530 8.474 4.804 -5.916 1.00 71.44 H new ATOM 0 HA LEU A 530 7.284 6.275 -8.014 1.00 73.33 H new ATOM 0 HB2 LEU A 530 7.360 3.867 -7.825 1.00 62.13 H new ATOM 0 HB3 LEU A 530 6.632 3.908 -6.231 1.00 62.13 H new ATOM 0 HG LEU A 530 4.495 4.512 -7.194 1.00 74.20 H new ATOM 0 HD11 LEU A 530 4.093 4.384 -9.588 1.00 74.02 H new ATOM 0 HD12 LEU A 530 5.174 5.729 -9.153 1.00 74.02 H new ATOM 0 HD13 LEU A 530 5.845 4.245 -9.871 1.00 74.02 H new ATOM 0 HD21 LEU A 530 4.115 2.314 -8.326 1.00 31.42 H new ATOM 0 HD22 LEU A 530 5.876 2.121 -8.503 1.00 31.42 H new ATOM 0 HD23 LEU A 530 5.140 2.139 -6.882 1.00 31.42 H new ATOM 1264 N LEU A 531 5.795 6.510 -5.098 1.00 24.05 N ATOM 1265 CA LEU A 531 4.846 7.271 -4.309 1.00 50.53 C ATOM 1266 C LEU A 531 5.271 8.755 -4.233 1.00 53.41 C ATOM 1267 O LEU A 531 4.470 9.658 -4.483 1.00 40.24 O ATOM 1268 CB LEU A 531 4.813 6.695 -2.888 1.00 64.31 C ATOM 1269 CG LEU A 531 3.753 7.259 -1.967 1.00 14.35 C ATOM 1270 CD1 LEU A 531 2.394 6.817 -2.421 1.00 11.50 C ATOM 1271 CD2 LEU A 531 3.995 6.859 -0.528 1.00 45.43 C ATOM 0 H LEU A 531 6.274 5.781 -4.569 1.00 24.05 H new ATOM 0 HA LEU A 531 3.863 7.206 -4.776 1.00 50.53 H new ATOM 0 HB2 LEU A 531 4.669 5.617 -2.958 1.00 64.31 H new ATOM 0 HB3 LEU A 531 5.788 6.857 -2.429 1.00 64.31 H new ATOM 0 HG LEU A 531 3.807 8.347 -2.013 1.00 14.35 H new ATOM 0 HD11 LEU A 531 1.636 7.227 -1.753 1.00 11.50 H new ATOM 0 HD12 LEU A 531 2.215 7.174 -3.435 1.00 11.50 H new ATOM 0 HD13 LEU A 531 2.341 5.728 -2.405 1.00 11.50 H new ATOM 0 HD21 LEU A 531 3.214 7.282 0.104 1.00 45.43 H new ATOM 0 HD22 LEU A 531 3.980 5.772 -0.445 1.00 45.43 H new ATOM 0 HD23 LEU A 531 4.966 7.234 -0.205 1.00 45.43 H new ATOM 1283 N ARG A 532 6.543 8.979 -3.913 1.00 53.34 N ATOM 1284 CA ARG A 532 7.100 10.327 -3.750 1.00 13.00 C ATOM 1285 C ARG A 532 6.989 11.123 -5.048 1.00 61.14 C ATOM 1286 O ARG A 532 6.706 12.322 -5.032 1.00 13.21 O ATOM 1287 CB ARG A 532 8.577 10.260 -3.328 1.00 61.01 C ATOM 1288 CG ARG A 532 8.869 9.497 -2.033 1.00 11.11 C ATOM 1289 CD ARG A 532 8.202 10.113 -0.825 1.00 1.00 C ATOM 1290 NE ARG A 532 8.627 11.509 -0.597 1.00 11.11 N ATOM 1291 CZ ARG A 532 8.122 12.325 0.349 1.00 1.23 C ATOM 1292 NH1 ARG A 532 7.180 11.882 1.188 1.00 32.25 N ATOM 1293 NH2 ARG A 532 8.565 13.574 0.450 1.00 61.11 N ATOM 0 H ARG A 532 7.221 8.233 -3.758 1.00 53.34 H new ATOM 0 HA ARG A 532 6.524 10.827 -2.971 1.00 13.00 H new ATOM 0 HB2 ARG A 532 9.145 9.797 -4.135 1.00 61.01 H new ATOM 0 HB3 ARG A 532 8.950 11.278 -3.219 1.00 61.01 H new ATOM 0 HG2 ARG A 532 8.533 8.466 -2.141 1.00 11.11 H new ATOM 0 HG3 ARG A 532 9.946 9.466 -1.871 1.00 11.11 H new ATOM 0 HD2 ARG A 532 7.120 10.082 -0.956 1.00 1.00 H new ATOM 0 HD3 ARG A 532 8.434 9.517 0.058 1.00 1.00 H new ATOM 0 HE ARG A 532 9.358 11.884 -1.201 1.00 11.11 H new ATOM 0 HH11 ARG A 532 6.841 10.923 1.113 1.00 32.25 H new ATOM 0 HH12 ARG A 532 6.801 12.503 1.903 1.00 32.25 H new ATOM 0 HH21 ARG A 532 9.285 13.913 -0.188 1.00 61.11 H new ATOM 0 HH22 ARG A 532 8.184 14.194 1.165 1.00 61.11 H new ATOM 1307 N SER A 533 7.203 10.445 -6.164 1.00 2.00 N ATOM 1308 CA SER A 533 7.139 11.073 -7.466 1.00 22.34 C ATOM 1309 C SER A 533 5.687 11.421 -7.816 1.00 4.31 C ATOM 1310 O SER A 533 5.404 12.505 -8.366 1.00 5.24 O ATOM 1311 CB SER A 533 7.737 10.140 -8.514 1.00 12.53 C ATOM 1312 OG SER A 533 9.058 9.756 -8.150 1.00 73.01 O ATOM 0 H SER A 533 7.424 9.450 -6.189 1.00 2.00 H new ATOM 0 HA SER A 533 7.716 11.998 -7.448 1.00 22.34 H new ATOM 0 HB2 SER A 533 7.111 9.254 -8.619 1.00 12.53 H new ATOM 0 HB3 SER A 533 7.752 10.636 -9.484 1.00 12.53 H new ATOM 0 HG SER A 533 9.025 9.187 -7.352 1.00 73.01 H new ATOM 1318 N THR A 534 4.779 10.501 -7.479 1.00 35.43 N ATOM 1319 CA THR A 534 3.354 10.655 -7.695 1.00 70.12 C ATOM 1320 C THR A 534 2.998 10.597 -9.195 1.00 64.33 C ATOM 1321 O THR A 534 2.677 9.532 -9.708 1.00 1.41 O ATOM 1322 CB THR A 534 2.810 11.948 -7.013 1.00 21.51 C ATOM 1323 OG1 THR A 534 3.137 11.909 -5.604 1.00 12.33 O ATOM 1324 CG2 THR A 534 1.292 12.077 -7.177 1.00 24.52 C ATOM 0 H THR A 534 5.028 9.614 -7.040 1.00 35.43 H new ATOM 0 HA THR A 534 2.856 9.810 -7.219 1.00 70.12 H new ATOM 0 HB THR A 534 3.274 12.810 -7.493 1.00 21.51 H new ATOM 0 HG1 THR A 534 3.617 11.079 -5.402 1.00 12.33 H new ATOM 0 HG21 THR A 534 0.950 12.990 -6.689 1.00 24.52 H new ATOM 0 HG22 THR A 534 1.043 12.117 -8.237 1.00 24.52 H new ATOM 0 HG23 THR A 534 0.802 11.216 -6.721 1.00 24.52 H new ATOM 1332 N LYS A 535 3.110 11.732 -9.877 1.00 1.23 N ATOM 1333 CA LYS A 535 2.847 11.867 -11.299 1.00 71.33 C ATOM 1334 C LYS A 535 2.961 13.354 -11.634 1.00 41.54 C ATOM 1335 O LYS A 535 3.034 14.178 -10.713 1.00 13.32 O ATOM 1336 CB LYS A 535 1.456 11.279 -11.699 1.00 1.41 C ATOM 1337 CG LYS A 535 1.206 11.264 -13.198 1.00 71.21 C ATOM 1338 CD LYS A 535 -0.053 10.510 -13.595 1.00 55.15 C ATOM 1339 CE LYS A 535 0.058 9.029 -13.317 1.00 23.01 C ATOM 1340 NZ LYS A 535 -1.124 8.303 -13.808 1.00 13.12 N ATOM 0 H LYS A 535 3.395 12.608 -9.439 1.00 1.23 H new ATOM 0 HA LYS A 535 3.572 11.292 -11.875 1.00 71.33 H new ATOM 0 HB2 LYS A 535 1.378 10.261 -11.317 1.00 1.41 H new ATOM 0 HB3 LYS A 535 0.672 11.862 -11.215 1.00 1.41 H new ATOM 0 HG2 LYS A 535 1.133 12.291 -13.557 1.00 71.21 H new ATOM 0 HG3 LYS A 535 2.063 10.812 -13.697 1.00 71.21 H new ATOM 0 HD2 LYS A 535 -0.905 10.917 -13.051 1.00 55.15 H new ATOM 0 HD3 LYS A 535 -0.248 10.665 -14.656 1.00 55.15 H new ATOM 0 HE2 LYS A 535 0.955 8.633 -13.794 1.00 23.01 H new ATOM 0 HE3 LYS A 535 0.169 8.865 -12.245 1.00 23.01 H new ATOM 0 HZ1 LYS A 535 -1.019 7.289 -13.603 1.00 13.12 H new ATOM 0 HZ2 LYS A 535 -1.976 8.666 -13.334 1.00 13.12 H new ATOM 0 HZ3 LYS A 535 -1.214 8.441 -14.835 1.00 13.12 H new ATOM 1354 N MET A 536 3.002 13.694 -12.915 1.00 35.45 N ATOM 1355 CA MET A 536 3.180 15.081 -13.358 1.00 12.42 C ATOM 1356 C MET A 536 2.085 16.022 -12.860 1.00 64.32 C ATOM 1357 O MET A 536 2.388 17.080 -12.302 1.00 23.31 O ATOM 1358 CB MET A 536 3.314 15.155 -14.876 1.00 40.35 C ATOM 1359 CG MET A 536 4.558 14.466 -15.412 1.00 1.24 C ATOM 1360 SD MET A 536 4.645 14.462 -17.217 1.00 63.02 S ATOM 1361 CE MET A 536 4.659 16.222 -17.572 1.00 43.34 C ATOM 0 H MET A 536 2.914 13.023 -13.678 1.00 35.45 H new ATOM 0 HA MET A 536 4.108 15.428 -12.904 1.00 12.42 H new ATOM 0 HB2 MET A 536 2.433 14.703 -15.332 1.00 40.35 H new ATOM 0 HB3 MET A 536 3.329 16.202 -15.180 1.00 40.35 H new ATOM 0 HG2 MET A 536 5.442 14.963 -15.013 1.00 1.24 H new ATOM 0 HG3 MET A 536 4.581 13.438 -15.051 1.00 1.24 H new ATOM 0 HE1 MET A 536 4.992 16.384 -18.597 1.00 43.34 H new ATOM 0 HE2 MET A 536 3.654 16.626 -17.448 1.00 43.34 H new ATOM 0 HE3 MET A 536 5.340 16.726 -16.886 1.00 43.34 H new ATOM 1371 N GLU A 537 0.825 15.671 -13.060 1.00 23.21 N ATOM 1372 CA GLU A 537 -0.241 16.509 -12.543 1.00 15.31 C ATOM 1373 C GLU A 537 -0.476 16.177 -11.082 1.00 12.43 C ATOM 1374 O GLU A 537 -0.238 17.011 -10.206 1.00 35.04 O ATOM 1375 CB GLU A 537 -1.529 16.384 -13.358 1.00 41.41 C ATOM 1376 CG GLU A 537 -2.643 17.297 -12.877 1.00 51.43 C ATOM 1377 CD GLU A 537 -3.900 17.129 -13.668 1.00 15.32 C ATOM 1378 OE1 GLU A 537 -3.966 17.628 -14.805 1.00 55.13 O ATOM 1379 OE2 GLU A 537 -4.847 16.501 -13.176 1.00 44.24 O ATOM 0 H GLU A 537 0.522 14.836 -13.562 1.00 23.21 H new ATOM 0 HA GLU A 537 0.070 17.550 -12.631 1.00 15.31 H new ATOM 0 HB2 GLU A 537 -1.312 16.609 -14.402 1.00 41.41 H new ATOM 0 HB3 GLU A 537 -1.875 15.351 -13.319 1.00 41.41 H new ATOM 0 HG2 GLU A 537 -2.848 17.092 -11.826 1.00 51.43 H new ATOM 0 HG3 GLU A 537 -2.312 18.334 -12.941 1.00 51.43 H new ATOM 1386 N GLY A 538 -0.919 14.963 -10.807 1.00 43.54 N ATOM 1387 CA GLY A 538 -1.070 14.580 -9.436 1.00 43.14 C ATOM 1388 C GLY A 538 -2.162 13.568 -9.153 1.00 25.35 C ATOM 1389 O GLY A 538 -2.570 13.444 -8.001 1.00 22.05 O ATOM 0 H GLY A 538 -1.170 14.254 -11.496 1.00 43.54 H new ATOM 0 HA2 GLY A 538 -0.122 14.172 -9.085 1.00 43.14 H new ATOM 0 HA3 GLY A 538 -1.269 15.476 -8.847 1.00 43.14 H new ATOM 1393 N THR A 539 -2.642 12.846 -10.151 1.00 50.11 N ATOM 1394 CA THR A 539 -3.639 11.826 -9.880 1.00 11.21 C ATOM 1395 C THR A 539 -2.944 10.474 -9.844 1.00 45.43 C ATOM 1396 O THR A 539 -2.156 10.135 -10.745 1.00 61.42 O ATOM 1397 CB THR A 539 -4.734 11.753 -10.939 1.00 63.53 C ATOM 1398 OG1 THR A 539 -5.065 13.076 -11.396 1.00 11.43 O ATOM 1399 CG2 THR A 539 -5.994 11.146 -10.323 1.00 30.23 C ATOM 0 H THR A 539 -2.368 12.942 -11.129 1.00 50.11 H new ATOM 0 HA THR A 539 -4.110 12.085 -8.932 1.00 11.21 H new ATOM 0 HB THR A 539 -4.375 11.145 -11.770 1.00 63.53 H new ATOM 0 HG1 THR A 539 -5.768 13.021 -12.077 1.00 11.43 H new ATOM 0 HG21 THR A 539 -6.779 11.093 -11.078 1.00 30.23 H new ATOM 0 HG22 THR A 539 -5.773 10.143 -9.957 1.00 30.23 H new ATOM 0 HG23 THR A 539 -6.330 11.769 -9.494 1.00 30.23 H new ATOM 1407 N VAL A 540 -3.200 9.725 -8.822 1.00 55.12 N ATOM 1408 CA VAL A 540 -2.600 8.441 -8.661 1.00 61.52 C ATOM 1409 C VAL A 540 -3.627 7.350 -8.500 1.00 35.13 C ATOM 1410 O VAL A 540 -4.600 7.511 -7.782 1.00 35.11 O ATOM 1411 CB VAL A 540 -1.589 8.453 -7.496 1.00 30.41 C ATOM 1412 CG1 VAL A 540 -1.144 7.073 -7.130 1.00 4.21 C ATOM 1413 CG2 VAL A 540 -0.392 9.274 -7.879 1.00 63.12 C ATOM 0 H VAL A 540 -3.836 9.989 -8.070 1.00 55.12 H new ATOM 0 HA VAL A 540 -2.054 8.216 -9.577 1.00 61.52 H new ATOM 0 HB VAL A 540 -2.087 8.887 -6.629 1.00 30.41 H new ATOM 0 HG11 VAL A 540 -0.433 7.127 -6.306 1.00 4.21 H new ATOM 0 HG12 VAL A 540 -2.007 6.481 -6.826 1.00 4.21 H new ATOM 0 HG13 VAL A 540 -0.667 6.604 -7.991 1.00 4.21 H new ATOM 0 HG21 VAL A 540 0.322 9.282 -7.056 1.00 63.12 H new ATOM 0 HG22 VAL A 540 0.078 8.842 -8.763 1.00 63.12 H new ATOM 0 HG23 VAL A 540 -0.706 10.295 -8.097 1.00 63.12 H new ATOM 1423 N SER A 541 -3.399 6.266 -9.198 1.00 24.51 N ATOM 1424 CA SER A 541 -4.246 5.118 -9.151 1.00 32.23 C ATOM 1425 C SER A 541 -3.719 4.110 -8.122 1.00 30.41 C ATOM 1426 O SER A 541 -2.632 3.577 -8.271 1.00 54.14 O ATOM 1427 CB SER A 541 -4.282 4.485 -10.533 1.00 74.32 C ATOM 1428 OG SER A 541 -4.730 5.423 -11.510 1.00 51.34 O ATOM 0 H SER A 541 -2.601 6.162 -9.825 1.00 24.51 H new ATOM 0 HA SER A 541 -5.252 5.414 -8.853 1.00 32.23 H new ATOM 0 HB2 SER A 541 -3.288 4.124 -10.798 1.00 74.32 H new ATOM 0 HB3 SER A 541 -4.944 3.619 -10.524 1.00 74.32 H new ATOM 0 HG SER A 541 -4.744 4.995 -12.392 1.00 51.34 H new ATOM 1434 N LEU A 542 -4.474 3.883 -7.094 1.00 13.15 N ATOM 1435 CA LEU A 542 -4.132 2.942 -6.052 1.00 22.50 C ATOM 1436 C LEU A 542 -5.026 1.740 -6.196 1.00 14.32 C ATOM 1437 O LEU A 542 -6.240 1.876 -6.174 1.00 72.32 O ATOM 1438 CB LEU A 542 -4.393 3.537 -4.637 1.00 34.11 C ATOM 1439 CG LEU A 542 -3.677 4.836 -4.257 1.00 24.42 C ATOM 1440 CD1 LEU A 542 -2.214 4.752 -4.568 1.00 42.25 C ATOM 1441 CD2 LEU A 542 -4.320 6.062 -4.881 1.00 35.31 C ATOM 0 H LEU A 542 -5.367 4.353 -6.944 1.00 13.15 H new ATOM 0 HA LEU A 542 -3.075 2.694 -6.149 1.00 22.50 H new ATOM 0 HB2 LEU A 542 -5.465 3.707 -4.539 1.00 34.11 H new ATOM 0 HB3 LEU A 542 -4.122 2.779 -3.902 1.00 34.11 H new ATOM 0 HG LEU A 542 -3.783 4.957 -3.179 1.00 24.42 H new ATOM 0 HD11 LEU A 542 -1.728 5.687 -4.289 1.00 42.25 H new ATOM 0 HD12 LEU A 542 -1.769 3.930 -4.007 1.00 42.25 H new ATOM 0 HD13 LEU A 542 -2.078 4.577 -5.635 1.00 42.25 H new ATOM 0 HD21 LEU A 542 -3.772 6.954 -4.578 1.00 35.31 H new ATOM 0 HD22 LEU A 542 -4.296 5.973 -5.967 1.00 35.31 H new ATOM 0 HD23 LEU A 542 -5.354 6.140 -4.546 1.00 35.31 H new ATOM 1453 N LEU A 543 -4.463 0.599 -6.377 1.00 11.24 N ATOM 1454 CA LEU A 543 -5.240 -0.605 -6.395 1.00 73.42 C ATOM 1455 C LEU A 543 -4.883 -1.342 -5.138 1.00 34.13 C ATOM 1456 O LEU A 543 -3.721 -1.740 -4.931 1.00 73.03 O ATOM 1457 CB LEU A 543 -4.943 -1.402 -7.690 1.00 50.32 C ATOM 1458 CG LEU A 543 -5.674 -2.744 -8.002 1.00 14.13 C ATOM 1459 CD1 LEU A 543 -5.295 -3.861 -7.059 1.00 25.41 C ATOM 1460 CD2 LEU A 543 -7.173 -2.564 -8.063 1.00 1.12 C ATOM 0 H LEU A 543 -3.461 0.465 -6.516 1.00 11.24 H new ATOM 0 HA LEU A 543 -6.314 -0.422 -6.411 1.00 73.42 H new ATOM 0 HB2 LEU A 543 -5.138 -0.732 -8.527 1.00 50.32 H new ATOM 0 HB3 LEU A 543 -3.874 -1.614 -7.694 1.00 50.32 H new ATOM 0 HG LEU A 543 -5.330 -3.047 -8.991 1.00 14.13 H new ATOM 0 HD11 LEU A 543 -5.838 -4.766 -7.330 1.00 25.41 H new ATOM 0 HD12 LEU A 543 -4.223 -4.047 -7.127 1.00 25.41 H new ATOM 0 HD13 LEU A 543 -5.550 -3.577 -6.038 1.00 25.41 H new ATOM 0 HD21 LEU A 543 -7.646 -3.521 -8.282 1.00 1.12 H new ATOM 0 HD22 LEU A 543 -7.534 -2.192 -7.104 1.00 1.12 H new ATOM 0 HD23 LEU A 543 -7.422 -1.848 -8.847 1.00 1.12 H new ATOM 1472 N VAL A 544 -5.854 -1.502 -4.304 1.00 4.22 N ATOM 1473 CA VAL A 544 -5.651 -2.085 -3.009 1.00 42.52 C ATOM 1474 C VAL A 544 -6.440 -3.357 -2.855 1.00 1.41 C ATOM 1475 O VAL A 544 -7.412 -3.580 -3.570 1.00 11.31 O ATOM 1476 CB VAL A 544 -6.026 -1.092 -1.877 1.00 4.33 C ATOM 1477 CG1 VAL A 544 -5.149 0.151 -1.937 1.00 71.12 C ATOM 1478 CG2 VAL A 544 -7.496 -0.695 -1.950 1.00 42.31 C ATOM 0 H VAL A 544 -6.819 -1.232 -4.497 1.00 4.22 H new ATOM 0 HA VAL A 544 -4.590 -2.320 -2.926 1.00 42.52 H new ATOM 0 HB VAL A 544 -5.856 -1.600 -0.928 1.00 4.33 H new ATOM 0 HG11 VAL A 544 -5.429 0.833 -1.134 1.00 71.12 H new ATOM 0 HG12 VAL A 544 -4.104 -0.135 -1.821 1.00 71.12 H new ATOM 0 HG13 VAL A 544 -5.285 0.646 -2.898 1.00 71.12 H new ATOM 0 HG21 VAL A 544 -7.725 0.001 -1.143 1.00 42.31 H new ATOM 0 HG22 VAL A 544 -7.697 -0.218 -2.909 1.00 42.31 H new ATOM 0 HG23 VAL A 544 -8.118 -1.584 -1.850 1.00 42.31 H new ATOM 1488 N PHE A 545 -6.012 -4.184 -1.951 1.00 62.10 N ATOM 1489 CA PHE A 545 -6.673 -5.421 -1.660 1.00 32.31 C ATOM 1490 C PHE A 545 -7.033 -5.481 -0.199 1.00 12.13 C ATOM 1491 O PHE A 545 -6.152 -5.476 0.678 1.00 23.25 O ATOM 1492 CB PHE A 545 -5.781 -6.619 -2.040 1.00 40.55 C ATOM 1493 CG PHE A 545 -6.364 -7.970 -1.679 1.00 44.30 C ATOM 1494 CD1 PHE A 545 -7.365 -8.540 -2.447 1.00 13.11 C ATOM 1495 CD2 PHE A 545 -5.911 -8.662 -0.563 1.00 12.40 C ATOM 1496 CE1 PHE A 545 -7.897 -9.765 -2.116 1.00 43.53 C ATOM 1497 CE2 PHE A 545 -6.445 -9.890 -0.229 1.00 41.43 C ATOM 1498 CZ PHE A 545 -7.439 -10.441 -1.008 1.00 32.21 C ATOM 0 H PHE A 545 -5.180 -4.016 -1.385 1.00 62.10 H new ATOM 0 HA PHE A 545 -7.586 -5.474 -2.253 1.00 32.31 H new ATOM 0 HB2 PHE A 545 -5.595 -6.592 -3.114 1.00 40.55 H new ATOM 0 HB3 PHE A 545 -4.816 -6.509 -1.546 1.00 40.55 H new ATOM 0 HD1 PHE A 545 -7.733 -8.016 -3.317 1.00 13.11 H new ATOM 0 HD2 PHE A 545 -5.132 -8.234 0.050 1.00 12.40 H new ATOM 0 HE1 PHE A 545 -8.676 -10.197 -2.727 1.00 43.53 H new ATOM 0 HE2 PHE A 545 -6.084 -10.418 0.641 1.00 41.43 H new ATOM 0 HZ PHE A 545 -7.858 -11.402 -0.750 1.00 32.21 H new ATOM 1508 N ARG A 546 -8.297 -5.528 0.073 1.00 42.00 N ATOM 1509 CA ARG A 546 -8.764 -5.680 1.418 1.00 3.32 C ATOM 1510 C ARG A 546 -9.339 -7.048 1.563 1.00 24.33 C ATOM 1511 O ARG A 546 -10.207 -7.437 0.788 1.00 43.44 O ATOM 1512 CB ARG A 546 -9.806 -4.619 1.787 1.00 71.02 C ATOM 1513 CG ARG A 546 -10.372 -4.769 3.147 1.00 45.21 C ATOM 1514 CD ARG A 546 -11.379 -3.691 3.433 1.00 44.01 C ATOM 1515 NE ARG A 546 -11.728 -3.724 4.819 1.00 15.04 N ATOM 1516 CZ ARG A 546 -12.871 -3.283 5.359 1.00 70.34 C ATOM 1517 NH1 ARG A 546 -13.833 -2.781 4.587 1.00 64.10 N ATOM 1518 NH2 ARG A 546 -13.052 -3.362 6.670 1.00 3.41 N ATOM 0 H ARG A 546 -9.036 -5.462 -0.627 1.00 42.00 H new ATOM 0 HA ARG A 546 -7.925 -5.545 2.100 1.00 3.32 H new ATOM 0 HB2 ARG A 546 -9.349 -3.633 1.703 1.00 71.02 H new ATOM 0 HB3 ARG A 546 -10.619 -4.657 1.062 1.00 71.02 H new ATOM 0 HG2 ARG A 546 -10.844 -5.747 3.243 1.00 45.21 H new ATOM 0 HG3 ARG A 546 -9.571 -4.728 3.885 1.00 45.21 H new ATOM 0 HD2 ARG A 546 -10.968 -2.716 3.173 1.00 44.01 H new ATOM 0 HD3 ARG A 546 -12.268 -3.836 2.819 1.00 44.01 H new ATOM 0 HE ARG A 546 -11.040 -4.122 5.458 1.00 15.04 H new ATOM 0 HH11 ARG A 546 -13.702 -2.730 3.577 1.00 64.10 H new ATOM 0 HH12 ARG A 546 -14.701 -2.447 5.006 1.00 64.10 H new ATOM 0 HH21 ARG A 546 -12.322 -3.757 7.263 1.00 3.41 H new ATOM 0 HH22 ARG A 546 -13.921 -3.027 7.086 1.00 3.41 H new