USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=15 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 Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 ASN : amide:sc= -0.0362 X(o=-0.036,f=-0.05) USER MOD Single : A 463 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 465 LYS NZ :NH3+ 168:sc= 2.14 (180deg=1.6) 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 USER MOD Single : A 477 SER OG : rot 28:sc= 0.216 USER MOD Single : A 489 TYR OH : rot 180:sc= -0.065 USER MOD Single : A 491 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 492 ASN : amide:sc= -0.0714 X(o=-0.071,f=-0.092) USER MOD Single : A 501 GLN : amide:sc= -1.39! K(o=-1.4!,f=-0.064) USER MOD Single : A 506 LYS NZ :NH3+ -120:sc= 0.328 (180deg=0.0766) USER MOD Single : A 515 ASN : amide:sc= -3.78! K(o=-3.8!,f=-0.38) USER MOD Single : A 522 LYS NZ :NH3+ -138:sc= -0.289 (180deg=-2.67!) USER MOD Single : A 523 SER OG : rot 180:sc= 0 USER MOD Single : A 524 GLN : amide:sc= -3.12 K(o=-3.1,f=-6.2!) USER MOD Single : A 529 SER OG : rot 68:sc= 1.25 USER MOD Single : A 533 SER OG : rot 180:sc= 0 USER MOD Single : A 534 THR OG1 : rot -12:sc= 0.8 USER MOD Single : A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 536 MET CE :methyl 161:sc= -0.0764 (180deg=-0.537) USER MOD Single : A 539 THR OG1 : rot 124:sc= 1.21 USER MOD Single : A 541 SER OG : rot 180:sc= -0.232 USER MOD ----------------------------------------------------------------- ATOM 138 N LYS A 458 -11.018 -8.854 -3.592 1.00 31.11 N ATOM 139 CA LYS A 458 -11.306 -7.804 -4.513 1.00 74.02 C ATOM 140 C LYS A 458 -10.149 -6.863 -4.600 1.00 42.24 C ATOM 141 O LYS A 458 -9.563 -6.468 -3.578 1.00 44.45 O ATOM 142 CB LYS A 458 -12.600 -7.019 -4.148 1.00 51.52 C ATOM 143 CG LYS A 458 -12.584 -6.319 -2.790 1.00 60.54 C ATOM 144 CD LYS A 458 -13.877 -5.538 -2.534 1.00 14.44 C ATOM 145 CE LYS A 458 -14.065 -4.396 -3.539 1.00 72.25 C ATOM 146 NZ LYS A 458 -15.312 -3.631 -3.297 1.00 15.45 N ATOM 0 HA LYS A 458 -11.477 -8.273 -5.482 1.00 74.02 H new ATOM 0 HB2 LYS A 458 -12.781 -6.271 -4.920 1.00 51.52 H new ATOM 0 HB3 LYS A 458 -13.442 -7.711 -4.171 1.00 51.52 H new ATOM 0 HG2 LYS A 458 -12.445 -7.059 -2.002 1.00 60.54 H new ATOM 0 HG3 LYS A 458 -11.734 -5.639 -2.742 1.00 60.54 H new ATOM 0 HD2 LYS A 458 -14.728 -6.216 -2.592 1.00 14.44 H new ATOM 0 HD3 LYS A 458 -13.862 -5.132 -1.522 1.00 14.44 H new ATOM 0 HE2 LYS A 458 -13.211 -3.721 -3.482 1.00 72.25 H new ATOM 0 HE3 LYS A 458 -14.082 -4.804 -4.550 1.00 72.25 H new ATOM 0 HZ1 LYS A 458 -15.395 -2.870 -4.001 1.00 15.45 H new ATOM 0 HZ2 LYS A 458 -16.131 -4.267 -3.377 1.00 15.45 H new ATOM 0 HZ3 LYS A 458 -15.286 -3.218 -2.343 1.00 15.45 H new ATOM 160 N ARG A 459 -9.796 -6.539 -5.793 1.00 33.41 N ATOM 161 CA ARG A 459 -8.832 -5.539 -6.025 1.00 12.21 C ATOM 162 C ARG A 459 -9.582 -4.321 -6.406 1.00 53.34 C ATOM 163 O ARG A 459 -10.561 -4.390 -7.154 1.00 61.23 O ATOM 164 CB ARG A 459 -7.826 -5.921 -7.091 1.00 75.43 C ATOM 165 CG ARG A 459 -7.094 -7.196 -6.779 1.00 21.31 C ATOM 166 CD ARG A 459 -5.938 -7.416 -7.713 1.00 21.25 C ATOM 167 NE ARG A 459 -6.316 -7.385 -9.131 1.00 4.54 N ATOM 168 CZ ARG A 459 -5.479 -7.670 -10.131 1.00 70.12 C ATOM 169 NH1 ARG A 459 -4.256 -8.133 -9.871 1.00 32.21 N ATOM 170 NH2 ARG A 459 -5.872 -7.523 -11.390 1.00 13.02 N ATOM 0 H ARG A 459 -10.175 -6.967 -6.638 1.00 33.41 H new ATOM 0 HA ARG A 459 -8.237 -5.381 -5.126 1.00 12.21 H new ATOM 0 HB2 ARG A 459 -8.340 -6.028 -8.046 1.00 75.43 H new ATOM 0 HB3 ARG A 459 -7.104 -5.113 -7.207 1.00 75.43 H new ATOM 0 HG2 ARG A 459 -6.731 -7.165 -5.752 1.00 21.31 H new ATOM 0 HG3 ARG A 459 -7.783 -8.038 -6.848 1.00 21.31 H new ATOM 0 HD2 ARG A 459 -5.183 -6.652 -7.530 1.00 21.25 H new ATOM 0 HD3 ARG A 459 -5.478 -8.379 -7.489 1.00 21.25 H new ATOM 0 HE ARG A 459 -7.275 -7.131 -9.366 1.00 4.54 H new ATOM 0 HH11 ARG A 459 -3.957 -8.270 -8.905 1.00 32.21 H new ATOM 0 HH12 ARG A 459 -3.619 -8.350 -10.638 1.00 32.21 H new ATOM 0 HH21 ARG A 459 -6.815 -7.192 -11.595 1.00 13.02 H new ATOM 0 HH22 ARG A 459 -5.231 -7.741 -12.153 1.00 13.02 H new ATOM 184 N LEU A 460 -9.184 -3.239 -5.886 1.00 71.41 N ATOM 185 CA LEU A 460 -9.923 -2.052 -6.049 1.00 75.00 C ATOM 186 C LEU A 460 -9.040 -0.976 -6.519 1.00 73.13 C ATOM 187 O LEU A 460 -7.990 -0.745 -5.945 1.00 51.13 O ATOM 188 CB LEU A 460 -10.475 -1.694 -4.711 1.00 14.41 C ATOM 189 CG LEU A 460 -11.619 -0.704 -4.655 1.00 43.34 C ATOM 190 CD1 LEU A 460 -12.798 -1.245 -5.443 1.00 31.23 C ATOM 191 CD2 LEU A 460 -12.019 -0.490 -3.211 1.00 1.41 C ATOM 0 H LEU A 460 -8.333 -3.143 -5.331 1.00 71.41 H new ATOM 0 HA LEU A 460 -10.720 -2.188 -6.780 1.00 75.00 H new ATOM 0 HB2 LEU A 460 -10.806 -2.614 -4.229 1.00 14.41 H new ATOM 0 HB3 LEU A 460 -9.659 -1.295 -4.109 1.00 14.41 H new ATOM 0 HG LEU A 460 -11.307 0.246 -5.090 1.00 43.34 H new ATOM 0 HD11 LEU A 460 -13.621 -0.532 -5.402 1.00 31.23 H new ATOM 0 HD12 LEU A 460 -12.502 -1.399 -6.481 1.00 31.23 H new ATOM 0 HD13 LEU A 460 -13.119 -2.194 -5.013 1.00 31.23 H new ATOM 0 HD21 LEU A 460 -12.843 0.222 -3.163 1.00 1.41 H new ATOM 0 HD22 LEU A 460 -12.334 -1.439 -2.776 1.00 1.41 H new ATOM 0 HD23 LEU A 460 -11.169 -0.099 -2.652 1.00 1.41 H new ATOM 203 N ASN A 461 -9.444 -0.336 -7.550 1.00 21.24 N ATOM 204 CA ASN A 461 -8.679 0.761 -8.079 1.00 0.40 C ATOM 205 C ASN A 461 -9.275 2.063 -7.575 1.00 1.03 C ATOM 206 O ASN A 461 -10.432 2.385 -7.835 1.00 42.02 O ATOM 207 CB ASN A 461 -8.561 0.731 -9.634 1.00 14.51 C ATOM 208 CG ASN A 461 -9.871 0.900 -10.392 1.00 2.21 C ATOM 209 OD1 ASN A 461 -10.276 2.017 -10.718 1.00 71.34 O ATOM 210 ND2 ASN A 461 -10.527 -0.198 -10.698 1.00 10.22 N ATOM 0 H ASN A 461 -10.304 -0.544 -8.058 1.00 21.24 H new ATOM 0 HA ASN A 461 -7.654 0.670 -7.720 1.00 0.40 H new ATOM 0 HB2 ASN A 461 -7.877 1.520 -9.945 1.00 14.51 H new ATOM 0 HB3 ASN A 461 -8.110 -0.216 -9.929 1.00 14.51 H new ATOM 0 HD21 ASN A 461 -11.401 -0.141 -11.222 1.00 10.22 H new ATOM 0 HD22 ASN A 461 -10.162 -1.107 -10.412 1.00 10.22 H new ATOM 217 N ILE A 462 -8.512 2.757 -6.809 1.00 44.31 N ATOM 218 CA ILE A 462 -8.911 4.007 -6.204 1.00 43.14 C ATOM 219 C ILE A 462 -8.016 5.114 -6.752 1.00 74.41 C ATOM 220 O ILE A 462 -6.863 4.875 -6.995 1.00 24.14 O ATOM 221 CB ILE A 462 -8.711 3.924 -4.658 1.00 25.31 C ATOM 222 CG1 ILE A 462 -9.512 2.760 -4.049 1.00 34.31 C ATOM 223 CG2 ILE A 462 -9.095 5.222 -3.997 1.00 23.14 C ATOM 224 CD1 ILE A 462 -9.303 2.592 -2.550 1.00 32.13 C ATOM 0 H ILE A 462 -7.561 2.475 -6.570 1.00 44.31 H new ATOM 0 HA ILE A 462 -9.958 4.210 -6.428 1.00 43.14 H new ATOM 0 HB ILE A 462 -7.652 3.739 -4.476 1.00 25.31 H new ATOM 0 HG12 ILE A 462 -10.573 2.919 -4.243 1.00 34.31 H new ATOM 0 HG13 ILE A 462 -9.231 1.835 -4.552 1.00 34.31 H new ATOM 0 HG21 ILE A 462 -8.947 5.140 -2.920 1.00 23.14 H new ATOM 0 HG22 ILE A 462 -8.473 6.027 -4.388 1.00 23.14 H new ATOM 0 HG23 ILE A 462 -10.143 5.439 -4.204 1.00 23.14 H new ATOM 0 HD11 ILE A 462 -9.899 1.753 -2.191 1.00 32.13 H new ATOM 0 HD12 ILE A 462 -8.249 2.401 -2.349 1.00 32.13 H new ATOM 0 HD13 ILE A 462 -9.611 3.502 -2.035 1.00 32.13 H new ATOM 236 N GLN A 463 -8.546 6.290 -6.987 1.00 71.31 N ATOM 237 CA GLN A 463 -7.715 7.403 -7.433 1.00 70.31 C ATOM 238 C GLN A 463 -7.806 8.595 -6.499 1.00 73.32 C ATOM 239 O GLN A 463 -8.896 9.051 -6.156 1.00 32.34 O ATOM 240 CB GLN A 463 -8.008 7.809 -8.878 1.00 65.12 C ATOM 241 CG GLN A 463 -7.555 6.792 -9.912 1.00 62.15 C ATOM 242 CD GLN A 463 -7.903 7.199 -11.331 1.00 60.30 C ATOM 243 OE1 GLN A 463 -7.975 8.386 -11.656 1.00 13.10 O ATOM 244 NE2 GLN A 463 -8.125 6.233 -12.180 1.00 3.43 N ATOM 0 H GLN A 463 -9.537 6.509 -6.881 1.00 71.31 H new ATOM 0 HA GLN A 463 -6.687 7.042 -7.404 1.00 70.31 H new ATOM 0 HB2 GLN A 463 -9.080 7.971 -8.988 1.00 65.12 H new ATOM 0 HB3 GLN A 463 -7.519 8.762 -9.083 1.00 65.12 H new ATOM 0 HG2 GLN A 463 -6.476 6.656 -9.832 1.00 62.15 H new ATOM 0 HG3 GLN A 463 -8.015 5.828 -9.692 1.00 62.15 H new ATOM 0 HE21 GLN A 463 -8.057 5.262 -11.877 1.00 3.43 H new ATOM 0 HE22 GLN A 463 -8.367 6.449 -13.147 1.00 3.43 H new ATOM 253 N LEU A 464 -6.658 9.083 -6.085 1.00 3.45 N ATOM 254 CA LEU A 464 -6.538 10.232 -5.204 1.00 12.34 C ATOM 255 C LEU A 464 -5.856 11.375 -5.880 1.00 4.20 C ATOM 256 O LEU A 464 -4.980 11.176 -6.699 1.00 44.43 O ATOM 257 CB LEU A 464 -5.822 9.904 -3.894 1.00 42.44 C ATOM 258 CG LEU A 464 -6.694 9.218 -2.821 1.00 33.13 C ATOM 259 CD1 LEU A 464 -7.047 7.807 -3.142 1.00 64.41 C ATOM 260 CD2 LEU A 464 -6.123 9.344 -1.440 1.00 2.45 C ATOM 0 H LEU A 464 -5.759 8.685 -6.356 1.00 3.45 H new ATOM 0 HA LEU A 464 -7.560 10.523 -4.959 1.00 12.34 H new ATOM 0 HB2 LEU A 464 -4.972 9.259 -4.115 1.00 42.44 H new ATOM 0 HB3 LEU A 464 -5.421 10.828 -3.477 1.00 42.44 H new ATOM 0 HG LEU A 464 -7.632 9.773 -2.834 1.00 33.13 H new ATOM 0 HD11 LEU A 464 -7.660 7.394 -2.341 1.00 64.41 H new ATOM 0 HD12 LEU A 464 -7.604 7.775 -4.078 1.00 64.41 H new ATOM 0 HD13 LEU A 464 -6.136 7.218 -3.242 1.00 64.41 H new ATOM 0 HD21 LEU A 464 -6.779 8.843 -0.728 1.00 2.45 H new ATOM 0 HD22 LEU A 464 -5.136 8.883 -1.411 1.00 2.45 H new ATOM 0 HD23 LEU A 464 -6.039 10.398 -1.176 1.00 2.45 H new ATOM 272 N LYS A 465 -6.252 12.567 -5.533 1.00 2.00 N ATOM 273 CA LYS A 465 -5.718 13.728 -6.120 1.00 71.10 C ATOM 274 C LYS A 465 -4.702 14.299 -5.183 1.00 74.20 C ATOM 275 O LYS A 465 -4.979 14.489 -3.994 1.00 53.44 O ATOM 276 CB LYS A 465 -6.775 14.830 -6.443 1.00 55.40 C ATOM 277 CG LYS A 465 -7.859 14.590 -7.541 1.00 51.04 C ATOM 278 CD LYS A 465 -9.101 13.779 -7.103 1.00 25.12 C ATOM 279 CE LYS A 465 -8.834 12.309 -6.950 1.00 14.51 C ATOM 280 NZ LYS A 465 -10.018 11.544 -6.476 1.00 63.30 N ATOM 0 H LYS A 465 -6.964 12.745 -4.825 1.00 2.00 H new ATOM 0 HA LYS A 465 -5.287 13.429 -7.075 1.00 71.10 H new ATOM 0 HB2 LYS A 465 -7.301 15.053 -5.515 1.00 55.40 H new ATOM 0 HB3 LYS A 465 -6.227 15.730 -6.723 1.00 55.40 H new ATOM 0 HG2 LYS A 465 -8.194 15.559 -7.910 1.00 51.04 H new ATOM 0 HG3 LYS A 465 -7.390 14.075 -8.379 1.00 51.04 H new ATOM 0 HD2 LYS A 465 -9.467 14.174 -6.155 1.00 25.12 H new ATOM 0 HD3 LYS A 465 -9.895 13.922 -7.836 1.00 25.12 H new ATOM 0 HE2 LYS A 465 -8.508 11.904 -7.908 1.00 14.51 H new ATOM 0 HE3 LYS A 465 -8.013 12.167 -6.248 1.00 14.51 H new ATOM 0 HZ1 LYS A 465 -9.839 10.525 -6.583 1.00 63.30 H new ATOM 0 HZ2 LYS A 465 -10.193 11.761 -5.474 1.00 63.30 H new ATOM 0 HZ3 LYS A 465 -10.851 11.810 -7.039 1.00 63.30 H new ATOM 294 N LYS A 466 -3.537 14.494 -5.690 1.00 23.34 N ATOM 295 CA LYS A 466 -2.456 15.124 -4.956 1.00 11.43 C ATOM 296 C LYS A 466 -2.882 16.507 -4.465 1.00 24.21 C ATOM 297 O LYS A 466 -3.166 17.402 -5.272 1.00 63.12 O ATOM 298 CB LYS A 466 -1.208 15.274 -5.844 1.00 14.50 C ATOM 299 CG LYS A 466 -0.037 15.975 -5.149 1.00 33.40 C ATOM 300 CD LYS A 466 1.146 16.218 -6.083 1.00 54.01 C ATOM 301 CE LYS A 466 0.768 17.111 -7.265 1.00 53.20 C ATOM 302 NZ LYS A 466 1.930 17.417 -8.121 1.00 34.23 N ATOM 0 H LYS A 466 -3.287 14.222 -6.641 1.00 23.34 H new ATOM 0 HA LYS A 466 -2.218 14.488 -4.103 1.00 11.43 H new ATOM 0 HB2 LYS A 466 -0.885 14.286 -6.171 1.00 14.50 H new ATOM 0 HB3 LYS A 466 -1.476 15.835 -6.739 1.00 14.50 H new ATOM 0 HG2 LYS A 466 -0.378 16.929 -4.746 1.00 33.40 H new ATOM 0 HG3 LYS A 466 0.292 15.371 -4.303 1.00 33.40 H new ATOM 0 HD2 LYS A 466 1.960 16.681 -5.525 1.00 54.01 H new ATOM 0 HD3 LYS A 466 1.517 15.263 -6.454 1.00 54.01 H new ATOM 0 HE2 LYS A 466 -0.001 16.618 -7.860 1.00 53.20 H new ATOM 0 HE3 LYS A 466 0.337 18.041 -6.894 1.00 53.20 H new ATOM 0 HZ1 LYS A 466 1.630 18.024 -8.910 1.00 34.23 H new ATOM 0 HZ2 LYS A 466 2.654 17.910 -7.560 1.00 34.23 H new ATOM 0 HZ3 LYS A 466 2.327 16.532 -8.497 1.00 34.23 H new ATOM 316 N GLY A 467 -2.960 16.663 -3.162 1.00 13.31 N ATOM 317 CA GLY A 467 -3.253 17.949 -2.592 1.00 4.53 C ATOM 318 C GLY A 467 -1.978 18.738 -2.404 1.00 44.01 C ATOM 319 O GLY A 467 -1.080 18.673 -3.250 1.00 52.52 O ATOM 0 H GLY A 467 -2.824 15.914 -2.483 1.00 13.31 H new ATOM 0 HA2 GLY A 467 -3.936 18.496 -3.242 1.00 4.53 H new ATOM 0 HA3 GLY A 467 -3.757 17.824 -1.634 1.00 4.53 H new ATOM 323 N THR A 468 -1.865 19.452 -1.322 1.00 21.43 N ATOM 324 CA THR A 468 -0.664 20.204 -1.084 1.00 21.24 C ATOM 325 C THR A 468 0.458 19.306 -0.485 1.00 63.11 C ATOM 326 O THR A 468 1.639 19.522 -0.750 1.00 5.33 O ATOM 327 CB THR A 468 -0.923 21.525 -0.276 1.00 4.53 C ATOM 328 OG1 THR A 468 0.289 22.262 -0.072 1.00 42.01 O ATOM 329 CG2 THR A 468 -1.596 21.264 1.051 1.00 64.24 C ATOM 0 H THR A 468 -2.579 19.531 -0.598 1.00 21.43 H new ATOM 0 HA THR A 468 -0.295 20.545 -2.051 1.00 21.24 H new ATOM 0 HB THR A 468 -1.601 22.125 -0.883 1.00 4.53 H new ATOM 0 HG1 THR A 468 0.094 23.079 0.432 1.00 42.01 H new ATOM 0 HG21 THR A 468 -1.753 22.209 1.571 1.00 64.24 H new ATOM 0 HG22 THR A 468 -2.557 20.778 0.882 1.00 64.24 H new ATOM 0 HG23 THR A 468 -0.964 20.616 1.658 1.00 64.24 H new ATOM 337 N GLU A 469 0.084 18.283 0.303 1.00 41.02 N ATOM 338 CA GLU A 469 1.075 17.312 0.774 1.00 72.44 C ATOM 339 C GLU A 469 1.116 16.168 -0.226 1.00 70.45 C ATOM 340 O GLU A 469 2.183 15.683 -0.615 1.00 42.15 O ATOM 341 CB GLU A 469 0.746 16.707 2.170 1.00 32.13 C ATOM 342 CG GLU A 469 0.659 17.657 3.367 1.00 32.24 C ATOM 343 CD GLU A 469 -0.446 18.672 3.276 1.00 4.12 C ATOM 344 OE1 GLU A 469 -1.631 18.282 3.076 1.00 65.33 O ATOM 345 OE2 GLU A 469 -0.155 19.873 3.443 1.00 52.05 O ATOM 0 H GLU A 469 -0.871 18.113 0.618 1.00 41.02 H new ATOM 0 HA GLU A 469 2.024 17.840 0.865 1.00 72.44 H new ATOM 0 HB2 GLU A 469 -0.207 16.184 2.090 1.00 32.13 H new ATOM 0 HB3 GLU A 469 1.504 15.957 2.395 1.00 32.13 H new ATOM 0 HG2 GLU A 469 0.521 17.068 4.274 1.00 32.24 H new ATOM 0 HG3 GLU A 469 1.609 18.181 3.469 1.00 32.24 H new ATOM 352 N GLY A 470 -0.069 15.763 -0.653 1.00 22.01 N ATOM 353 CA GLY A 470 -0.217 14.647 -1.556 1.00 14.35 C ATOM 354 C GLY A 470 -0.237 13.343 -0.813 1.00 50.32 C ATOM 355 O GLY A 470 -0.671 13.331 0.308 1.00 34.53 O ATOM 0 H GLY A 470 -0.949 16.201 -0.381 1.00 22.01 H new ATOM 0 HA2 GLY A 470 -1.140 14.757 -2.126 1.00 14.35 H new ATOM 0 HA3 GLY A 470 0.603 14.646 -2.274 1.00 14.35 H new ATOM 359 N LEU A 471 0.267 12.261 -1.412 1.00 12.23 N ATOM 360 CA LEU A 471 0.088 10.892 -0.854 1.00 4.44 C ATOM 361 C LEU A 471 0.357 10.812 0.633 1.00 33.44 C ATOM 362 O LEU A 471 1.495 10.889 1.088 1.00 45.25 O ATOM 363 CB LEU A 471 0.889 9.807 -1.585 1.00 31.24 C ATOM 364 CG LEU A 471 0.649 9.625 -3.089 1.00 70.00 C ATOM 365 CD1 LEU A 471 -0.829 9.690 -3.454 1.00 21.50 C ATOM 366 CD2 LEU A 471 1.493 10.563 -3.909 1.00 20.31 C ATOM 0 H LEU A 471 0.802 12.292 -2.280 1.00 12.23 H new ATOM 0 HA LEU A 471 -0.969 10.687 -1.023 1.00 4.44 H new ATOM 0 HB2 LEU A 471 1.948 10.019 -1.439 1.00 31.24 H new ATOM 0 HB3 LEU A 471 0.684 8.854 -1.096 1.00 31.24 H new ATOM 0 HG LEU A 471 0.974 8.616 -3.341 1.00 70.00 H new ATOM 0 HD11 LEU A 471 -0.944 9.556 -4.530 1.00 21.50 H new ATOM 0 HD12 LEU A 471 -1.368 8.901 -2.930 1.00 21.50 H new ATOM 0 HD13 LEU A 471 -1.233 10.660 -3.164 1.00 21.50 H new ATOM 0 HD21 LEU A 471 1.292 10.401 -4.968 1.00 20.31 H new ATOM 0 HD22 LEU A 471 1.251 11.593 -3.647 1.00 20.31 H new ATOM 0 HD23 LEU A 471 2.547 10.375 -3.707 1.00 20.31 H new ATOM 378 N GLY A 472 -0.714 10.649 1.378 1.00 61.04 N ATOM 379 CA GLY A 472 -0.634 10.632 2.802 1.00 74.05 C ATOM 380 C GLY A 472 -0.795 9.254 3.346 1.00 2.24 C ATOM 381 O GLY A 472 -1.537 9.036 4.286 1.00 72.32 O ATOM 0 H GLY A 472 -1.656 10.526 1.006 1.00 61.04 H new ATOM 0 HA2 GLY A 472 0.327 11.038 3.117 1.00 74.05 H new ATOM 0 HA3 GLY A 472 -1.406 11.280 3.218 1.00 74.05 H new ATOM 385 N PHE A 473 -0.120 8.325 2.752 1.00 70.35 N ATOM 386 CA PHE A 473 -0.142 6.979 3.211 1.00 41.25 C ATOM 387 C PHE A 473 1.252 6.449 3.231 1.00 64.55 C ATOM 388 O PHE A 473 2.069 6.803 2.385 1.00 64.33 O ATOM 389 CB PHE A 473 -1.090 6.072 2.380 1.00 34.41 C ATOM 390 CG PHE A 473 -0.718 5.830 0.930 1.00 71.32 C ATOM 391 CD1 PHE A 473 -0.907 6.813 -0.025 1.00 51.20 C ATOM 392 CD2 PHE A 473 -0.204 4.599 0.522 1.00 51.53 C ATOM 393 CE1 PHE A 473 -0.585 6.578 -1.347 1.00 70.41 C ATOM 394 CE2 PHE A 473 0.112 4.370 -0.809 1.00 11.31 C ATOM 395 CZ PHE A 473 -0.079 5.366 -1.732 1.00 71.43 C ATOM 0 H PHE A 473 0.464 8.481 1.931 1.00 70.35 H new ATOM 0 HA PHE A 473 -0.549 6.971 4.222 1.00 41.25 H new ATOM 0 HB2 PHE A 473 -1.156 5.105 2.878 1.00 34.41 H new ATOM 0 HB3 PHE A 473 -2.087 6.512 2.405 1.00 34.41 H new ATOM 0 HD1 PHE A 473 -1.310 7.772 0.266 1.00 51.20 H new ATOM 0 HD2 PHE A 473 -0.051 3.816 1.250 1.00 51.53 H new ATOM 0 HE1 PHE A 473 -0.733 7.355 -2.082 1.00 70.41 H new ATOM 0 HE2 PHE A 473 0.506 3.413 -1.117 1.00 11.31 H new ATOM 0 HZ PHE A 473 0.171 5.193 -2.768 1.00 71.43 H new ATOM 405 N SER A 474 1.532 5.662 4.202 1.00 23.34 N ATOM 406 CA SER A 474 2.809 5.048 4.335 1.00 73.24 C ATOM 407 C SER A 474 2.613 3.563 4.194 1.00 61.10 C ATOM 408 O SER A 474 1.512 3.076 4.411 1.00 43.34 O ATOM 409 CB SER A 474 3.389 5.403 5.698 1.00 13.42 C ATOM 410 OG SER A 474 3.454 6.813 5.832 1.00 3.34 O ATOM 0 H SER A 474 0.873 5.419 4.942 1.00 23.34 H new ATOM 0 HA SER A 474 3.506 5.396 3.572 1.00 73.24 H new ATOM 0 HB2 SER A 474 2.770 4.980 6.490 1.00 13.42 H new ATOM 0 HB3 SER A 474 4.384 4.971 5.805 1.00 13.42 H new ATOM 0 HG SER A 474 3.826 7.041 6.710 1.00 3.34 H new ATOM 416 N ILE A 475 3.632 2.854 3.840 1.00 2.53 N ATOM 417 CA ILE A 475 3.520 1.436 3.608 1.00 31.12 C ATOM 418 C ILE A 475 4.518 0.639 4.420 1.00 23.22 C ATOM 419 O ILE A 475 5.506 1.170 4.917 1.00 70.21 O ATOM 420 CB ILE A 475 3.667 1.076 2.114 1.00 22.33 C ATOM 421 CG1 ILE A 475 4.900 1.772 1.522 1.00 51.34 C ATOM 422 CG2 ILE A 475 2.385 1.388 1.331 1.00 13.34 C ATOM 423 CD1 ILE A 475 5.185 1.412 0.094 1.00 20.21 C ATOM 0 H ILE A 475 4.569 3.232 3.701 1.00 2.53 H new ATOM 0 HA ILE A 475 2.516 1.166 3.934 1.00 31.12 H new ATOM 0 HB ILE A 475 3.821 0.000 2.027 1.00 22.33 H new ATOM 0 HG12 ILE A 475 4.762 2.851 1.592 1.00 51.34 H new ATOM 0 HG13 ILE A 475 5.770 1.522 2.128 1.00 51.34 H new ATOM 0 HG21 ILE A 475 2.525 1.122 0.283 1.00 13.34 H new ATOM 0 HG22 ILE A 475 1.557 0.812 1.744 1.00 13.34 H new ATOM 0 HG23 ILE A 475 2.161 2.452 1.408 1.00 13.34 H new ATOM 0 HD11 ILE A 475 6.072 1.947 -0.246 1.00 20.21 H new ATOM 0 HD12 ILE A 475 5.357 0.338 0.017 1.00 20.21 H new ATOM 0 HD13 ILE A 475 4.334 1.689 -0.528 1.00 20.21 H new ATOM 435 N THR A 476 4.220 -0.619 4.577 1.00 24.12 N ATOM 436 CA THR A 476 5.057 -1.546 5.273 1.00 33.34 C ATOM 437 C THR A 476 4.806 -2.936 4.702 1.00 43.40 C ATOM 438 O THR A 476 3.772 -3.169 4.055 1.00 45.13 O ATOM 439 CB THR A 476 4.748 -1.532 6.809 1.00 13.22 C ATOM 440 OG1 THR A 476 5.608 -2.430 7.516 1.00 62.41 O ATOM 441 CG2 THR A 476 3.291 -1.890 7.100 1.00 5.13 C ATOM 0 H THR A 476 3.364 -1.037 4.213 1.00 24.12 H new ATOM 0 HA THR A 476 6.102 -1.265 5.142 1.00 33.34 H new ATOM 0 HB THR A 476 4.929 -0.514 7.154 1.00 13.22 H new ATOM 0 HG1 THR A 476 5.396 -2.401 8.472 1.00 62.41 H new ATOM 0 HG21 THR A 476 3.119 -1.869 8.176 1.00 5.13 H new ATOM 0 HG22 THR A 476 2.635 -1.168 6.613 1.00 5.13 H new ATOM 0 HG23 THR A 476 3.078 -2.889 6.718 1.00 5.13 H new ATOM 449 N SER A 477 5.737 -3.819 4.875 1.00 43.15 N ATOM 450 CA SER A 477 5.552 -5.174 4.484 1.00 10.42 C ATOM 451 C SER A 477 5.375 -5.969 5.762 1.00 51.50 C ATOM 452 O SER A 477 6.204 -5.859 6.676 1.00 5.22 O ATOM 453 CB SER A 477 6.794 -5.627 3.710 1.00 11.31 C ATOM 454 OG SER A 477 7.976 -5.372 4.469 1.00 3.40 O ATOM 0 H SER A 477 6.646 -3.618 5.292 1.00 43.15 H new ATOM 0 HA SER A 477 4.685 -5.313 3.839 1.00 10.42 H new ATOM 0 HB2 SER A 477 6.722 -6.691 3.485 1.00 11.31 H new ATOM 0 HB3 SER A 477 6.847 -5.102 2.756 1.00 11.31 H new ATOM 0 HG SER A 477 7.763 -5.401 5.425 1.00 3.40 H new ATOM 580 N PRO A 487 3.301 -9.027 0.887 1.00 55.54 N ATOM 581 CA PRO A 487 2.424 -8.001 0.321 1.00 44.41 C ATOM 582 C PRO A 487 2.664 -6.625 0.955 1.00 22.50 C ATOM 583 O PRO A 487 3.049 -6.517 2.135 1.00 12.21 O ATOM 584 CB PRO A 487 1.014 -8.499 0.659 1.00 23.13 C ATOM 585 CG PRO A 487 1.179 -9.949 0.945 1.00 5.50 C ATOM 586 CD PRO A 487 2.540 -10.093 1.543 1.00 1.53 C ATOM 0 HA PRO A 487 2.596 -7.866 -0.747 1.00 44.41 H new ATOM 0 HB2 PRO A 487 0.604 -7.971 1.520 1.00 23.13 H new ATOM 0 HB3 PRO A 487 0.328 -8.336 -0.172 1.00 23.13 H new ATOM 0 HG2 PRO A 487 0.410 -10.302 1.633 1.00 5.50 H new ATOM 0 HG3 PRO A 487 1.088 -10.540 0.034 1.00 5.50 H new ATOM 0 HD2 PRO A 487 2.521 -9.968 2.626 1.00 1.53 H new ATOM 0 HD3 PRO A 487 2.967 -11.076 1.343 1.00 1.53 H new ATOM 594 N ILE A 488 2.438 -5.590 0.182 1.00 3.32 N ATOM 595 CA ILE A 488 2.635 -4.234 0.631 1.00 4.31 C ATOM 596 C ILE A 488 1.353 -3.775 1.345 1.00 24.53 C ATOM 597 O ILE A 488 0.267 -3.914 0.806 1.00 15.23 O ATOM 598 CB ILE A 488 2.902 -3.294 -0.588 1.00 42.54 C ATOM 599 CG1 ILE A 488 4.052 -3.820 -1.490 1.00 61.34 C ATOM 600 CG2 ILE A 488 3.202 -1.875 -0.127 1.00 32.51 C ATOM 601 CD1 ILE A 488 5.418 -3.928 -0.828 1.00 1.44 C ATOM 0 H ILE A 488 2.111 -5.666 -0.781 1.00 3.32 H new ATOM 0 HA ILE A 488 3.492 -4.191 1.303 1.00 4.31 H new ATOM 0 HB ILE A 488 1.990 -3.285 -1.186 1.00 42.54 H new ATOM 0 HG12 ILE A 488 3.772 -4.804 -1.865 1.00 61.34 H new ATOM 0 HG13 ILE A 488 4.140 -3.162 -2.355 1.00 61.34 H new ATOM 0 HG21 ILE A 488 3.384 -1.241 -0.995 1.00 32.51 H new ATOM 0 HG22 ILE A 488 2.351 -1.487 0.434 1.00 32.51 H new ATOM 0 HG23 ILE A 488 4.086 -1.879 0.511 1.00 32.51 H new ATOM 0 HD11 ILE A 488 6.143 -4.305 -1.549 1.00 1.44 H new ATOM 0 HD12 ILE A 488 5.732 -2.944 -0.479 1.00 1.44 H new ATOM 0 HD13 ILE A 488 5.359 -4.612 0.019 1.00 1.44 H new ATOM 613 N TYR A 489 1.475 -3.257 2.538 1.00 50.15 N ATOM 614 CA TYR A 489 0.319 -2.807 3.296 1.00 24.04 C ATOM 615 C TYR A 489 0.471 -1.385 3.704 1.00 15.12 C ATOM 616 O TYR A 489 1.589 -0.887 3.801 1.00 73.42 O ATOM 617 CB TYR A 489 0.105 -3.651 4.552 1.00 72.25 C ATOM 618 CG TYR A 489 -0.292 -5.065 4.281 1.00 54.30 C ATOM 619 CD1 TYR A 489 -1.526 -5.338 3.740 1.00 53.14 C ATOM 620 CD2 TYR A 489 0.559 -6.123 4.558 1.00 3.53 C ATOM 621 CE1 TYR A 489 -1.918 -6.617 3.476 1.00 41.43 C ATOM 622 CE2 TYR A 489 0.174 -7.419 4.298 1.00 71.15 C ATOM 623 CZ TYR A 489 -1.071 -7.657 3.755 1.00 43.13 C ATOM 624 OH TYR A 489 -1.470 -8.938 3.493 1.00 21.24 O ATOM 0 H TYR A 489 2.367 -3.132 3.016 1.00 50.15 H new ATOM 0 HA TYR A 489 -0.545 -2.915 2.640 1.00 24.04 H new ATOM 0 HB2 TYR A 489 1.024 -3.650 5.138 1.00 72.25 H new ATOM 0 HB3 TYR A 489 -0.664 -3.181 5.165 1.00 72.25 H new ATOM 0 HD1 TYR A 489 -2.199 -4.523 3.520 1.00 53.14 H new ATOM 0 HD2 TYR A 489 1.533 -5.929 4.982 1.00 3.53 H new ATOM 0 HE1 TYR A 489 -2.891 -6.809 3.049 1.00 41.43 H new ATOM 0 HE2 TYR A 489 0.840 -8.241 4.517 1.00 71.15 H new ATOM 0 HH TYR A 489 -0.757 -9.561 3.745 1.00 21.24 H new ATOM 634 N VAL A 490 -0.641 -0.723 3.939 1.00 22.25 N ATOM 635 CA VAL A 490 -0.607 0.623 4.439 1.00 43.10 C ATOM 636 C VAL A 490 -0.211 0.585 5.910 1.00 41.13 C ATOM 637 O VAL A 490 -0.824 -0.125 6.707 1.00 72.12 O ATOM 638 CB VAL A 490 -1.974 1.346 4.321 1.00 62.25 C ATOM 639 CG1 VAL A 490 -1.859 2.780 4.808 1.00 55.41 C ATOM 640 CG2 VAL A 490 -2.496 1.327 2.904 1.00 4.05 C ATOM 0 H VAL A 490 -1.577 -1.100 3.790 1.00 22.25 H new ATOM 0 HA VAL A 490 0.113 1.176 3.835 1.00 43.10 H new ATOM 0 HB VAL A 490 -2.683 0.806 4.949 1.00 62.25 H new ATOM 0 HG11 VAL A 490 -2.827 3.273 4.719 1.00 55.41 H new ATOM 0 HG12 VAL A 490 -1.544 2.786 5.851 1.00 55.41 H new ATOM 0 HG13 VAL A 490 -1.124 3.312 4.204 1.00 55.41 H new ATOM 0 HG21 VAL A 490 -3.455 1.843 2.863 1.00 4.05 H new ATOM 0 HG22 VAL A 490 -1.785 1.829 2.248 1.00 4.05 H new ATOM 0 HG23 VAL A 490 -2.625 0.295 2.578 1.00 4.05 H new ATOM 650 N LYS A 491 0.802 1.318 6.247 1.00 4.02 N ATOM 651 CA LYS A 491 1.264 1.400 7.606 1.00 50.43 C ATOM 652 C LYS A 491 0.415 2.410 8.353 1.00 12.21 C ATOM 653 O LYS A 491 -0.177 2.108 9.395 1.00 11.23 O ATOM 654 CB LYS A 491 2.732 1.858 7.640 1.00 21.35 C ATOM 655 CG LYS A 491 3.321 1.949 9.032 1.00 61.45 C ATOM 656 CD LYS A 491 4.748 2.467 8.998 1.00 44.45 C ATOM 657 CE LYS A 491 5.700 1.531 8.277 1.00 63.02 C ATOM 658 NZ LYS A 491 7.088 2.024 8.315 1.00 12.21 N ATOM 0 H LYS A 491 1.338 1.882 5.587 1.00 4.02 H new ATOM 0 HA LYS A 491 1.185 0.418 8.072 1.00 50.43 H new ATOM 0 HB2 LYS A 491 3.331 1.165 7.049 1.00 21.35 H new ATOM 0 HB3 LYS A 491 2.808 2.834 7.161 1.00 21.35 H new ATOM 0 HG2 LYS A 491 2.708 2.609 9.646 1.00 61.45 H new ATOM 0 HG3 LYS A 491 3.300 0.966 9.502 1.00 61.45 H new ATOM 0 HD2 LYS A 491 4.764 3.441 8.508 1.00 44.45 H new ATOM 0 HD3 LYS A 491 5.099 2.618 10.019 1.00 44.45 H new ATOM 0 HE2 LYS A 491 5.653 0.543 8.734 1.00 63.02 H new ATOM 0 HE3 LYS A 491 5.383 1.418 7.240 1.00 63.02 H new ATOM 0 HZ1 LYS A 491 7.707 1.357 7.812 1.00 12.21 H new ATOM 0 HZ2 LYS A 491 7.138 2.956 7.856 1.00 12.21 H new ATOM 0 HZ3 LYS A 491 7.400 2.107 9.304 1.00 12.21 H new ATOM 672 N ASN A 492 0.330 3.594 7.789 1.00 30.43 N ATOM 673 CA ASN A 492 -0.343 4.699 8.429 1.00 25.21 C ATOM 674 C ASN A 492 -0.933 5.600 7.377 1.00 71.11 C ATOM 675 O ASN A 492 -0.424 5.665 6.243 1.00 72.44 O ATOM 676 CB ASN A 492 0.675 5.505 9.240 1.00 14.40 C ATOM 677 CG ASN A 492 0.063 6.627 10.071 1.00 20.44 C ATOM 678 OD1 ASN A 492 -0.067 7.757 9.613 1.00 73.42 O ATOM 679 ND2 ASN A 492 -0.306 6.322 11.289 1.00 40.04 N ATOM 0 H ASN A 492 0.725 3.817 6.875 1.00 30.43 H new ATOM 0 HA ASN A 492 -1.129 4.317 9.080 1.00 25.21 H new ATOM 0 HB2 ASN A 492 1.212 4.828 9.904 1.00 14.40 H new ATOM 0 HB3 ASN A 492 1.410 5.932 8.558 1.00 14.40 H new ATOM 0 HD21 ASN A 492 -0.717 7.035 11.891 1.00 40.04 H new ATOM 0 HD22 ASN A 492 -0.182 5.371 11.636 1.00 40.04 H new ATOM 686 N ILE A 493 -1.986 6.260 7.735 1.00 23.52 N ATOM 687 CA ILE A 493 -2.629 7.238 6.916 1.00 71.25 C ATOM 688 C ILE A 493 -2.470 8.580 7.611 1.00 32.53 C ATOM 689 O ILE A 493 -3.080 8.829 8.670 1.00 43.11 O ATOM 690 CB ILE A 493 -4.130 6.893 6.730 1.00 50.43 C ATOM 691 CG1 ILE A 493 -4.298 5.608 5.937 1.00 3.23 C ATOM 692 CG2 ILE A 493 -4.900 8.011 6.060 1.00 20.32 C ATOM 693 CD1 ILE A 493 -3.889 5.707 4.476 1.00 51.35 C ATOM 0 H ILE A 493 -2.439 6.129 8.639 1.00 23.52 H new ATOM 0 HA ILE A 493 -2.179 7.264 5.924 1.00 71.25 H new ATOM 0 HB ILE A 493 -4.542 6.757 7.730 1.00 50.43 H new ATOM 0 HG12 ILE A 493 -3.710 4.823 6.413 1.00 3.23 H new ATOM 0 HG13 ILE A 493 -5.342 5.299 5.988 1.00 3.23 H new ATOM 0 HG21 ILE A 493 -5.945 7.720 5.953 1.00 20.32 H new ATOM 0 HG22 ILE A 493 -4.835 8.913 6.668 1.00 20.32 H new ATOM 0 HG23 ILE A 493 -4.475 8.206 5.075 1.00 20.32 H new ATOM 0 HD11 ILE A 493 -4.043 4.744 3.989 1.00 51.35 H new ATOM 0 HD12 ILE A 493 -4.494 6.466 3.979 1.00 51.35 H new ATOM 0 HD13 ILE A 493 -2.836 5.983 4.411 1.00 51.35 H new ATOM 705 N LEU A 494 -1.608 9.390 7.045 1.00 21.41 N ATOM 706 CA LEU A 494 -1.266 10.727 7.537 1.00 43.24 C ATOM 707 C LEU A 494 -2.506 11.606 7.818 1.00 11.33 C ATOM 708 O LEU A 494 -3.586 11.384 7.257 1.00 55.24 O ATOM 709 CB LEU A 494 -0.284 11.441 6.561 1.00 22.25 C ATOM 710 CG LEU A 494 1.192 10.958 6.550 1.00 52.34 C ATOM 711 CD1 LEU A 494 1.333 9.507 6.117 1.00 42.44 C ATOM 712 CD2 LEU A 494 2.041 11.865 5.674 1.00 14.44 C ATOM 0 H LEU A 494 -1.100 9.138 6.197 1.00 21.41 H new ATOM 0 HA LEU A 494 -0.768 10.586 8.496 1.00 43.24 H new ATOM 0 HB2 LEU A 494 -0.679 11.338 5.551 1.00 22.25 H new ATOM 0 HB3 LEU A 494 -0.288 12.505 6.798 1.00 22.25 H new ATOM 0 HG LEU A 494 1.552 11.014 7.577 1.00 52.34 H new ATOM 0 HD11 LEU A 494 2.386 9.225 6.128 1.00 42.44 H new ATOM 0 HD12 LEU A 494 0.778 8.867 6.803 1.00 42.44 H new ATOM 0 HD13 LEU A 494 0.936 9.388 5.109 1.00 42.44 H new ATOM 0 HD21 LEU A 494 3.072 11.513 5.677 1.00 14.44 H new ATOM 0 HD22 LEU A 494 1.656 11.851 4.654 1.00 14.44 H new ATOM 0 HD23 LEU A 494 2.004 12.883 6.061 1.00 14.44 H new ATOM 724 N PRO A 495 -2.353 12.644 8.682 1.00 41.33 N ATOM 725 CA PRO A 495 -3.473 13.535 9.127 1.00 21.33 C ATOM 726 C PRO A 495 -3.926 14.466 8.027 1.00 14.23 C ATOM 727 O PRO A 495 -4.880 15.213 8.185 1.00 20.01 O ATOM 728 CB PRO A 495 -2.772 14.393 10.172 1.00 3.13 C ATOM 729 CG PRO A 495 -1.406 14.497 9.608 1.00 35.54 C ATOM 730 CD PRO A 495 -1.074 13.088 9.300 1.00 41.30 C ATOM 0 HA PRO A 495 -4.347 12.971 9.453 1.00 21.33 H new ATOM 0 HB2 PRO A 495 -3.244 15.369 10.284 1.00 3.13 H new ATOM 0 HB3 PRO A 495 -2.774 13.923 11.156 1.00 3.13 H new ATOM 0 HG2 PRO A 495 -1.383 15.123 8.716 1.00 35.54 H new ATOM 0 HG3 PRO A 495 -0.705 14.932 10.321 1.00 35.54 H new ATOM 0 HD2 PRO A 495 -0.229 13.000 8.617 1.00 41.30 H new ATOM 0 HD3 PRO A 495 -0.823 12.515 10.193 1.00 41.30 H new ATOM 738 N ARG A 496 -3.206 14.439 6.950 1.00 24.31 N ATOM 739 CA ARG A 496 -3.403 15.308 5.846 1.00 25.34 C ATOM 740 C ARG A 496 -2.953 14.612 4.580 1.00 62.23 C ATOM 741 O ARG A 496 -2.827 13.381 4.533 1.00 12.02 O ATOM 742 CB ARG A 496 -2.621 16.618 6.061 1.00 35.41 C ATOM 743 CG ARG A 496 -3.203 17.564 7.096 1.00 70.13 C ATOM 744 CD ARG A 496 -2.335 18.790 7.272 1.00 41.31 C ATOM 745 NE ARG A 496 -2.899 19.718 8.251 1.00 34.31 N ATOM 746 CZ ARG A 496 -2.187 20.414 9.149 1.00 64.14 C ATOM 747 NH1 ARG A 496 -0.867 20.244 9.244 1.00 43.32 N ATOM 748 NH2 ARG A 496 -2.799 21.254 9.960 1.00 41.02 N ATOM 0 H ARG A 496 -2.436 13.783 6.816 1.00 24.31 H new ATOM 0 HA ARG A 496 -4.460 15.557 5.755 1.00 25.34 H new ATOM 0 HB2 ARG A 496 -1.602 16.368 6.355 1.00 35.41 H new ATOM 0 HB3 ARG A 496 -2.558 17.144 5.108 1.00 35.41 H new ATOM 0 HG2 ARG A 496 -4.205 17.866 6.792 1.00 70.13 H new ATOM 0 HG3 ARG A 496 -3.302 17.046 8.050 1.00 70.13 H new ATOM 0 HD2 ARG A 496 -1.338 18.487 7.591 1.00 41.31 H new ATOM 0 HD3 ARG A 496 -2.223 19.297 6.313 1.00 41.31 H new ATOM 0 HE ARG A 496 -3.911 19.846 8.251 1.00 34.31 H new ATOM 0 HH11 ARG A 496 -0.393 19.581 8.631 1.00 43.32 H new ATOM 0 HH12 ARG A 496 -0.332 20.777 9.930 1.00 43.32 H new ATOM 0 HH21 ARG A 496 -3.810 21.373 9.903 1.00 41.02 H new ATOM 0 HH22 ARG A 496 -2.261 21.785 10.645 1.00 41.02 H new ATOM 762 N GLY A 497 -2.718 15.385 3.585 1.00 1.14 N ATOM 763 CA GLY A 497 -2.342 14.875 2.298 1.00 21.15 C ATOM 764 C GLY A 497 -3.516 14.403 1.462 1.00 62.24 C ATOM 765 O GLY A 497 -4.667 14.650 1.795 1.00 31.41 O ATOM 0 H GLY A 497 -2.779 16.402 3.631 1.00 1.14 H new ATOM 0 HA2 GLY A 497 -1.807 15.652 1.751 1.00 21.15 H new ATOM 0 HA3 GLY A 497 -1.648 14.046 2.434 1.00 21.15 H new ATOM 769 N ALA A 498 -3.209 13.693 0.393 1.00 21.43 N ATOM 770 CA ALA A 498 -4.156 13.246 -0.574 1.00 63.53 C ATOM 771 C ALA A 498 -5.100 12.254 0.039 1.00 35.33 C ATOM 772 O ALA A 498 -6.295 12.238 -0.267 1.00 23.21 O ATOM 773 CB ALA A 498 -3.439 12.586 -1.744 1.00 4.43 C ATOM 0 H ALA A 498 -2.253 13.408 0.179 1.00 21.43 H new ATOM 0 HA ALA A 498 -4.717 14.111 -0.927 1.00 63.53 H new ATOM 0 HB1 ALA A 498 -4.172 12.248 -2.476 1.00 4.43 H new ATOM 0 HB2 ALA A 498 -2.765 13.305 -2.210 1.00 4.43 H new ATOM 0 HB3 ALA A 498 -2.866 11.732 -1.384 1.00 4.43 H new ATOM 779 N ALA A 499 -4.552 11.435 0.951 1.00 53.41 N ATOM 780 CA ALA A 499 -5.293 10.351 1.559 1.00 34.15 C ATOM 781 C ALA A 499 -6.506 10.833 2.295 1.00 42.33 C ATOM 782 O ALA A 499 -7.538 10.216 2.230 1.00 2.43 O ATOM 783 CB ALA A 499 -4.415 9.485 2.438 1.00 50.31 C ATOM 0 H ALA A 499 -3.589 11.516 1.277 1.00 53.41 H new ATOM 0 HA ALA A 499 -5.648 9.724 0.741 1.00 34.15 H new ATOM 0 HB1 ALA A 499 -5.013 8.684 2.873 1.00 50.31 H new ATOM 0 HB2 ALA A 499 -3.613 9.054 1.839 1.00 50.31 H new ATOM 0 HB3 ALA A 499 -3.986 10.092 3.235 1.00 50.31 H new ATOM 789 N ILE A 500 -6.382 11.941 2.979 1.00 14.42 N ATOM 790 CA ILE A 500 -7.494 12.487 3.725 1.00 53.14 C ATOM 791 C ILE A 500 -8.456 13.250 2.813 1.00 75.42 C ATOM 792 O ILE A 500 -9.658 13.293 3.069 1.00 10.34 O ATOM 793 CB ILE A 500 -7.001 13.372 4.868 1.00 45.44 C ATOM 794 CG1 ILE A 500 -8.095 13.696 5.866 1.00 54.30 C ATOM 795 CG2 ILE A 500 -6.394 14.662 4.337 1.00 62.34 C ATOM 796 CD1 ILE A 500 -7.576 14.474 7.043 1.00 51.12 C ATOM 0 H ILE A 500 -5.522 12.486 3.037 1.00 14.42 H new ATOM 0 HA ILE A 500 -8.045 11.652 4.158 1.00 53.14 H new ATOM 0 HB ILE A 500 -6.234 12.799 5.390 1.00 45.44 H new ATOM 0 HG12 ILE A 500 -8.879 14.269 5.371 1.00 54.30 H new ATOM 0 HG13 ILE A 500 -8.551 12.770 6.217 1.00 54.30 H new ATOM 0 HG21 ILE A 500 -6.051 15.273 5.172 1.00 62.34 H new ATOM 0 HG22 ILE A 500 -5.550 14.427 3.689 1.00 62.34 H new ATOM 0 HG23 ILE A 500 -7.145 15.211 3.770 1.00 62.34 H new ATOM 0 HD11 ILE A 500 -8.395 14.683 7.731 1.00 51.12 H new ATOM 0 HD12 ILE A 500 -6.811 13.891 7.556 1.00 51.12 H new ATOM 0 HD13 ILE A 500 -7.144 15.413 6.697 1.00 51.12 H new ATOM 808 N GLN A 501 -7.904 13.833 1.734 1.00 40.23 N ATOM 809 CA GLN A 501 -8.682 14.611 0.775 1.00 1.13 C ATOM 810 C GLN A 501 -9.734 13.753 0.141 1.00 3.53 C ATOM 811 O GLN A 501 -10.894 14.159 0.012 1.00 3.44 O ATOM 812 CB GLN A 501 -7.788 15.194 -0.326 1.00 5.53 C ATOM 813 CG GLN A 501 -6.739 16.187 0.142 1.00 15.53 C ATOM 814 CD GLN A 501 -7.339 17.401 0.800 1.00 74.50 C ATOM 815 OE1 GLN A 501 -7.655 18.387 0.134 1.00 42.15 O ATOM 816 NE2 GLN A 501 -7.484 17.359 2.098 1.00 71.01 N ATOM 0 H GLN A 501 -6.911 13.774 1.510 1.00 40.23 H new ATOM 0 HA GLN A 501 -9.149 15.430 1.322 1.00 1.13 H new ATOM 0 HB2 GLN A 501 -7.284 14.372 -0.834 1.00 5.53 H new ATOM 0 HB3 GLN A 501 -8.423 15.684 -1.064 1.00 5.53 H new ATOM 0 HG2 GLN A 501 -6.066 15.694 0.844 1.00 15.53 H new ATOM 0 HG3 GLN A 501 -6.137 16.501 -0.710 1.00 15.53 H new ATOM 0 HE21 GLN A 501 -7.210 16.523 2.615 1.00 71.01 H new ATOM 0 HE22 GLN A 501 -7.871 18.162 2.594 1.00 71.01 H new ATOM 825 N ASP A 502 -9.336 12.572 -0.260 1.00 44.02 N ATOM 826 CA ASP A 502 -10.274 11.671 -0.883 1.00 52.15 C ATOM 827 C ASP A 502 -10.873 10.771 0.187 1.00 12.04 C ATOM 828 O ASP A 502 -12.053 10.429 0.142 1.00 15.12 O ATOM 829 CB ASP A 502 -9.591 10.836 -1.957 1.00 41.41 C ATOM 830 CG ASP A 502 -10.564 10.249 -2.943 1.00 1.53 C ATOM 831 OD1 ASP A 502 -11.086 9.155 -2.709 1.00 4.12 O ATOM 832 OD2 ASP A 502 -10.811 10.890 -3.994 1.00 13.33 O ATOM 0 H ASP A 502 -8.385 12.215 -0.169 1.00 44.02 H new ATOM 0 HA ASP A 502 -11.064 12.248 -1.364 1.00 52.15 H new ATOM 0 HB2 ASP A 502 -8.870 11.456 -2.490 1.00 41.41 H new ATOM 0 HB3 ASP A 502 -9.030 10.031 -1.483 1.00 41.41 H new ATOM 837 N GLY A 503 -10.031 10.408 1.181 1.00 72.21 N ATOM 838 CA GLY A 503 -10.457 9.597 2.311 1.00 71.51 C ATOM 839 C GLY A 503 -11.074 8.258 1.959 1.00 65.45 C ATOM 840 O GLY A 503 -11.872 7.713 2.725 1.00 24.54 O ATOM 0 H GLY A 503 -9.047 10.674 1.210 1.00 72.21 H new ATOM 0 HA2 GLY A 503 -9.595 9.422 2.955 1.00 71.51 H new ATOM 0 HA3 GLY A 503 -11.180 10.168 2.894 1.00 71.51 H new ATOM 844 N ARG A 504 -10.727 7.736 0.825 1.00 15.14 N ATOM 845 CA ARG A 504 -11.247 6.462 0.373 1.00 23.11 C ATOM 846 C ARG A 504 -10.210 5.365 0.645 1.00 25.45 C ATOM 847 O ARG A 504 -10.465 4.174 0.479 1.00 42.41 O ATOM 848 CB ARG A 504 -11.577 6.596 -1.108 1.00 34.24 C ATOM 849 CG ARG A 504 -12.174 5.392 -1.788 1.00 51.05 C ATOM 850 CD ARG A 504 -12.521 5.752 -3.217 1.00 73.23 C ATOM 851 NE ARG A 504 -12.917 4.594 -4.026 1.00 15.34 N ATOM 852 CZ ARG A 504 -12.856 4.549 -5.365 1.00 12.23 C ATOM 853 NH1 ARG A 504 -12.468 5.614 -6.056 1.00 12.21 N ATOM 854 NH2 ARG A 504 -13.193 3.449 -6.007 1.00 71.21 N ATOM 0 H ARG A 504 -10.073 8.175 0.176 1.00 15.14 H new ATOM 0 HA ARG A 504 -12.154 6.182 0.908 1.00 23.11 H new ATOM 0 HB2 ARG A 504 -12.269 7.430 -1.227 1.00 34.24 H new ATOM 0 HB3 ARG A 504 -10.662 6.864 -1.636 1.00 34.24 H new ATOM 0 HG2 ARG A 504 -11.468 4.562 -1.770 1.00 51.05 H new ATOM 0 HG3 ARG A 504 -13.067 5.063 -1.256 1.00 51.05 H new ATOM 0 HD2 ARG A 504 -13.333 6.480 -3.214 1.00 73.23 H new ATOM 0 HD3 ARG A 504 -11.661 6.235 -3.682 1.00 73.23 H new ATOM 0 HE ARG A 504 -13.262 3.768 -3.537 1.00 15.34 H new ATOM 0 HH11 ARG A 504 -12.214 6.473 -5.569 1.00 12.21 H new ATOM 0 HH12 ARG A 504 -12.424 5.573 -7.074 1.00 12.21 H new ATOM 0 HH21 ARG A 504 -13.501 2.628 -5.486 1.00 71.21 H new ATOM 0 HH22 ARG A 504 -13.146 3.418 -7.025 1.00 71.21 H new ATOM 868 N LEU A 505 -9.057 5.795 1.080 1.00 0.23 N ATOM 869 CA LEU A 505 -7.964 4.919 1.419 1.00 40.50 C ATOM 870 C LEU A 505 -7.800 4.947 2.925 1.00 31.33 C ATOM 871 O LEU A 505 -7.920 6.023 3.541 1.00 44.43 O ATOM 872 CB LEU A 505 -6.677 5.455 0.774 1.00 34.32 C ATOM 873 CG LEU A 505 -5.424 4.583 0.905 1.00 72.23 C ATOM 874 CD1 LEU A 505 -5.617 3.238 0.219 1.00 53.45 C ATOM 875 CD2 LEU A 505 -4.227 5.306 0.328 1.00 55.52 C ATOM 0 H LEU A 505 -8.845 6.784 1.212 1.00 0.23 H new ATOM 0 HA LEU A 505 -8.159 3.906 1.067 1.00 40.50 H new ATOM 0 HB2 LEU A 505 -6.870 5.615 -0.287 1.00 34.32 H new ATOM 0 HB3 LEU A 505 -6.459 6.430 1.210 1.00 34.32 H new ATOM 0 HG LEU A 505 -5.247 4.394 1.964 1.00 72.23 H new ATOM 0 HD11 LEU A 505 -4.712 2.641 0.328 1.00 53.45 H new ATOM 0 HD12 LEU A 505 -6.456 2.713 0.677 1.00 53.45 H new ATOM 0 HD13 LEU A 505 -5.822 3.396 -0.840 1.00 53.45 H new ATOM 0 HD21 LEU A 505 -3.341 4.678 0.426 1.00 55.52 H new ATOM 0 HD22 LEU A 505 -4.405 5.521 -0.726 1.00 55.52 H new ATOM 0 HD23 LEU A 505 -4.071 6.240 0.868 1.00 55.52 H new ATOM 887 N LYS A 506 -7.555 3.813 3.536 1.00 5.44 N ATOM 888 CA LYS A 506 -7.302 3.809 4.958 1.00 50.45 C ATOM 889 C LYS A 506 -6.160 2.859 5.257 1.00 75.11 C ATOM 890 O LYS A 506 -5.656 2.196 4.354 1.00 54.20 O ATOM 891 CB LYS A 506 -8.572 3.515 5.825 1.00 42.42 C ATOM 892 CG LYS A 506 -9.027 2.040 5.986 1.00 72.42 C ATOM 893 CD LYS A 506 -9.297 1.312 4.681 1.00 3.55 C ATOM 894 CE LYS A 506 -10.367 1.973 3.834 1.00 63.02 C ATOM 895 NZ LYS A 506 -10.591 1.220 2.587 1.00 24.31 N ATOM 0 H LYS A 506 -7.525 2.899 3.084 1.00 5.44 H new ATOM 0 HA LYS A 506 -7.013 4.819 5.248 1.00 50.45 H new ATOM 0 HB2 LYS A 506 -8.395 3.919 6.822 1.00 42.42 H new ATOM 0 HB3 LYS A 506 -9.404 4.075 5.397 1.00 42.42 H new ATOM 0 HG2 LYS A 506 -8.260 1.496 6.538 1.00 72.42 H new ATOM 0 HG3 LYS A 506 -9.932 2.018 6.593 1.00 72.42 H new ATOM 0 HD2 LYS A 506 -8.372 1.256 4.107 1.00 3.55 H new ATOM 0 HD3 LYS A 506 -9.599 0.288 4.900 1.00 3.55 H new ATOM 0 HE2 LYS A 506 -11.297 2.034 4.399 1.00 63.02 H new ATOM 0 HE3 LYS A 506 -10.070 2.995 3.598 1.00 63.02 H new ATOM 0 HZ1 LYS A 506 -10.391 1.833 1.771 1.00 24.31 H new ATOM 0 HZ2 LYS A 506 -9.960 0.394 2.562 1.00 24.31 H new ATOM 0 HZ3 LYS A 506 -11.580 0.902 2.547 1.00 24.31 H new ATOM 909 N ALA A 507 -5.756 2.764 6.501 1.00 30.54 N ATOM 910 CA ALA A 507 -4.599 1.957 6.856 1.00 72.21 C ATOM 911 C ALA A 507 -4.960 0.469 7.017 1.00 33.42 C ATOM 912 O ALA A 507 -4.299 -0.281 7.743 1.00 53.31 O ATOM 913 CB ALA A 507 -3.922 2.533 8.093 1.00 71.41 C ATOM 0 H ALA A 507 -6.206 3.232 7.288 1.00 30.54 H new ATOM 0 HA ALA A 507 -3.884 1.998 6.034 1.00 72.21 H new ATOM 0 HB1 ALA A 507 -3.057 1.923 8.352 1.00 71.41 H new ATOM 0 HB2 ALA A 507 -3.598 3.553 7.889 1.00 71.41 H new ATOM 0 HB3 ALA A 507 -4.626 2.536 8.925 1.00 71.41 H new ATOM 919 N GLY A 508 -5.969 0.046 6.289 1.00 11.54 N ATOM 920 CA GLY A 508 -6.393 -1.331 6.304 1.00 72.14 C ATOM 921 C GLY A 508 -6.440 -1.900 4.902 1.00 4.11 C ATOM 922 O GLY A 508 -7.019 -2.971 4.661 1.00 12.24 O ATOM 0 H GLY A 508 -6.516 0.647 5.672 1.00 11.54 H new ATOM 0 HA2 GLY A 508 -5.709 -1.919 6.916 1.00 72.14 H new ATOM 0 HA3 GLY A 508 -7.378 -1.407 6.764 1.00 72.14 H new ATOM 926 N ASP A 509 -5.839 -1.182 3.970 1.00 24.32 N ATOM 927 CA ASP A 509 -5.824 -1.606 2.573 1.00 32.12 C ATOM 928 C ASP A 509 -4.468 -2.209 2.206 1.00 74.45 C ATOM 929 O ASP A 509 -3.427 -1.823 2.767 1.00 30.22 O ATOM 930 CB ASP A 509 -6.145 -0.437 1.606 1.00 43.54 C ATOM 931 CG ASP A 509 -7.551 0.157 1.743 1.00 52.04 C ATOM 932 OD1 ASP A 509 -8.544 -0.532 1.414 1.00 34.54 O ATOM 933 OD2 ASP A 509 -7.687 1.321 2.184 1.00 31.02 O ATOM 0 H ASP A 509 -5.354 -0.303 4.150 1.00 24.32 H new ATOM 0 HA ASP A 509 -6.602 -2.361 2.465 1.00 32.12 H new ATOM 0 HB2 ASP A 509 -5.416 0.357 1.767 1.00 43.54 H new ATOM 0 HB3 ASP A 509 -6.014 -0.787 0.582 1.00 43.54 H new ATOM 938 N ARG A 510 -4.481 -3.171 1.292 1.00 34.41 N ATOM 939 CA ARG A 510 -3.252 -3.783 0.801 1.00 13.10 C ATOM 940 C ARG A 510 -2.891 -3.204 -0.548 1.00 3.20 C ATOM 941 O ARG A 510 -3.703 -3.205 -1.450 1.00 71.10 O ATOM 942 CB ARG A 510 -3.387 -5.299 0.627 1.00 62.22 C ATOM 943 CG ARG A 510 -2.122 -5.918 0.030 1.00 54.33 C ATOM 944 CD ARG A 510 -2.322 -7.319 -0.498 1.00 24.53 C ATOM 945 NE ARG A 510 -2.727 -8.279 0.530 1.00 14.04 N ATOM 946 CZ ARG A 510 -2.553 -9.606 0.448 1.00 3.12 C ATOM 947 NH1 ARG A 510 -2.047 -10.154 -0.661 1.00 13.15 N ATOM 948 NH2 ARG A 510 -2.903 -10.381 1.462 1.00 72.44 N ATOM 0 H ARG A 510 -5.333 -3.546 0.874 1.00 34.41 H new ATOM 0 HA ARG A 510 -2.483 -3.575 1.545 1.00 13.10 H new ATOM 0 HB2 ARG A 510 -3.595 -5.758 1.593 1.00 62.22 H new ATOM 0 HB3 ARG A 510 -4.238 -5.516 -0.019 1.00 62.22 H new ATOM 0 HG2 ARG A 510 -1.764 -5.282 -0.780 1.00 54.33 H new ATOM 0 HG3 ARG A 510 -1.342 -5.934 0.791 1.00 54.33 H new ATOM 0 HD2 ARG A 510 -3.078 -7.298 -1.283 1.00 24.53 H new ATOM 0 HD3 ARG A 510 -1.395 -7.661 -0.958 1.00 24.53 H new ATOM 0 HE ARG A 510 -3.174 -7.912 1.370 1.00 14.04 H new ATOM 0 HH11 ARG A 510 -1.791 -9.562 -1.451 1.00 13.15 H new ATOM 0 HH12 ARG A 510 -1.917 -11.164 -0.717 1.00 13.15 H new ATOM 0 HH21 ARG A 510 -3.304 -9.969 2.304 1.00 72.44 H new ATOM 0 HH22 ARG A 510 -2.771 -11.391 1.401 1.00 72.44 H new ATOM 962 N LEU A 511 -1.678 -2.781 -0.688 1.00 61.24 N ATOM 963 CA LEU A 511 -1.188 -2.217 -1.923 1.00 21.43 C ATOM 964 C LEU A 511 -0.739 -3.289 -2.917 1.00 50.44 C ATOM 965 O LEU A 511 0.180 -4.070 -2.642 1.00 32.13 O ATOM 966 CB LEU A 511 -0.048 -1.220 -1.661 1.00 21.13 C ATOM 967 CG LEU A 511 -0.421 0.221 -1.308 1.00 32.23 C ATOM 968 CD1 LEU A 511 -1.145 0.875 -2.474 1.00 31.31 C ATOM 969 CD2 LEU A 511 -1.258 0.286 -0.057 1.00 11.14 C ATOM 0 H LEU A 511 -0.982 -2.814 0.057 1.00 61.24 H new ATOM 0 HA LEU A 511 -2.025 -1.684 -2.375 1.00 21.43 H new ATOM 0 HB2 LEU A 511 0.562 -1.616 -0.849 1.00 21.13 H new ATOM 0 HB3 LEU A 511 0.583 -1.194 -2.549 1.00 21.13 H new ATOM 0 HG LEU A 511 0.501 0.769 -1.112 1.00 32.23 H new ATOM 0 HD11 LEU A 511 -1.406 1.900 -2.211 1.00 31.31 H new ATOM 0 HD12 LEU A 511 -0.496 0.878 -3.350 1.00 31.31 H new ATOM 0 HD13 LEU A 511 -2.053 0.316 -2.698 1.00 31.31 H new ATOM 0 HD21 LEU A 511 -1.504 1.325 0.163 1.00 11.14 H new ATOM 0 HD22 LEU A 511 -2.177 -0.281 -0.204 1.00 11.14 H new ATOM 0 HD23 LEU A 511 -0.699 -0.139 0.777 1.00 11.14 H new ATOM 981 N ILE A 512 -1.416 -3.343 -4.051 1.00 51.01 N ATOM 982 CA ILE A 512 -1.031 -4.234 -5.163 1.00 54.41 C ATOM 983 C ILE A 512 -0.390 -3.421 -6.262 1.00 53.52 C ATOM 984 O ILE A 512 0.603 -3.833 -6.884 1.00 40.35 O ATOM 985 CB ILE A 512 -2.246 -5.006 -5.739 1.00 0.05 C ATOM 986 CG1 ILE A 512 -2.860 -5.917 -4.680 1.00 65.33 C ATOM 987 CG2 ILE A 512 -1.863 -5.809 -6.980 1.00 1.53 C ATOM 988 CD1 ILE A 512 -1.916 -6.979 -4.138 1.00 55.33 C ATOM 0 H ILE A 512 -2.245 -2.779 -4.239 1.00 51.01 H new ATOM 0 HA ILE A 512 -0.326 -4.966 -4.770 1.00 54.41 H new ATOM 0 HB ILE A 512 -2.992 -4.269 -6.037 1.00 0.05 H new ATOM 0 HG12 ILE A 512 -3.211 -5.303 -3.850 1.00 65.33 H new ATOM 0 HG13 ILE A 512 -3.735 -6.409 -5.105 1.00 65.33 H new ATOM 0 HG21 ILE A 512 -2.739 -6.337 -7.356 1.00 1.53 H new ATOM 0 HG22 ILE A 512 -1.488 -5.134 -7.749 1.00 1.53 H new ATOM 0 HG23 ILE A 512 -1.088 -6.530 -6.722 1.00 1.53 H new ATOM 0 HD11 ILE A 512 -2.435 -7.580 -3.392 1.00 55.33 H new ATOM 0 HD12 ILE A 512 -1.584 -7.621 -4.954 1.00 55.33 H new ATOM 0 HD13 ILE A 512 -1.052 -6.498 -3.680 1.00 55.33 H new ATOM 1000 N GLU A 513 -0.944 -2.272 -6.485 1.00 61.42 N ATOM 1001 CA GLU A 513 -0.462 -1.368 -7.467 1.00 2.25 C ATOM 1002 C GLU A 513 -0.730 0.021 -7.014 1.00 11.10 C ATOM 1003 O GLU A 513 -1.699 0.287 -6.329 1.00 10.04 O ATOM 1004 CB GLU A 513 -1.120 -1.643 -8.839 1.00 61.35 C ATOM 1005 CG GLU A 513 -0.841 -0.633 -9.937 1.00 40.30 C ATOM 1006 CD GLU A 513 -1.570 -0.966 -11.209 1.00 44.32 C ATOM 1007 OE1 GLU A 513 -1.067 -1.784 -11.997 1.00 30.11 O ATOM 1008 OE2 GLU A 513 -2.661 -0.420 -11.436 1.00 33.22 O ATOM 0 H GLU A 513 -1.761 -1.934 -5.976 1.00 61.42 H new ATOM 0 HA GLU A 513 0.612 -1.505 -7.592 1.00 2.25 H new ATOM 0 HB2 GLU A 513 -0.791 -2.623 -9.185 1.00 61.35 H new ATOM 0 HB3 GLU A 513 -2.199 -1.701 -8.695 1.00 61.35 H new ATOM 0 HG2 GLU A 513 -1.137 0.360 -9.599 1.00 40.30 H new ATOM 0 HG3 GLU A 513 0.231 -0.597 -10.132 1.00 40.30 H new ATOM 1015 N VAL A 514 0.139 0.866 -7.346 1.00 72.34 N ATOM 1016 CA VAL A 514 0.006 2.243 -7.100 1.00 35.11 C ATOM 1017 C VAL A 514 0.499 2.989 -8.306 1.00 1.02 C ATOM 1018 O VAL A 514 1.574 2.700 -8.851 1.00 14.42 O ATOM 1019 CB VAL A 514 0.668 2.710 -5.766 1.00 41.14 C ATOM 1020 CG1 VAL A 514 2.046 2.174 -5.649 1.00 23.24 C ATOM 1021 CG2 VAL A 514 0.680 4.231 -5.640 1.00 35.24 C ATOM 0 H VAL A 514 1.007 0.617 -7.819 1.00 72.34 H new ATOM 0 HA VAL A 514 -1.049 2.472 -6.946 1.00 35.11 H new ATOM 0 HB VAL A 514 0.064 2.314 -4.949 1.00 41.14 H new ATOM 0 HG11 VAL A 514 2.489 2.511 -4.712 1.00 23.24 H new ATOM 0 HG12 VAL A 514 2.015 1.085 -5.664 1.00 23.24 H new ATOM 0 HG13 VAL A 514 2.648 2.532 -6.485 1.00 23.24 H new ATOM 0 HG21 VAL A 514 1.149 4.514 -4.698 1.00 35.24 H new ATOM 0 HG22 VAL A 514 1.243 4.660 -6.469 1.00 35.24 H new ATOM 0 HG23 VAL A 514 -0.343 4.606 -5.663 1.00 35.24 H new ATOM 1031 N ASN A 515 -0.334 3.877 -8.740 1.00 3.34 N ATOM 1032 CA ASN A 515 -0.209 4.701 -9.908 1.00 10.32 C ATOM 1033 C ASN A 515 -0.317 3.876 -11.198 1.00 60.01 C ATOM 1034 O ASN A 515 -1.207 4.102 -12.020 1.00 63.15 O ATOM 1035 CB ASN A 515 1.035 5.570 -9.868 1.00 23.21 C ATOM 1036 CG ASN A 515 0.881 6.726 -10.791 1.00 71.44 C ATOM 1037 OD1 ASN A 515 1.266 6.692 -11.957 1.00 32.23 O ATOM 1038 ND2 ASN A 515 0.276 7.757 -10.276 1.00 53.54 N ATOM 0 H ASN A 515 -1.204 4.065 -8.241 1.00 3.34 H new ATOM 0 HA ASN A 515 -1.054 5.389 -9.908 1.00 10.32 H new ATOM 0 HB2 ASN A 515 1.207 5.926 -8.852 1.00 23.21 H new ATOM 0 HB3 ASN A 515 1.908 4.982 -10.152 1.00 23.21 H new ATOM 0 HD21 ASN A 515 0.103 8.584 -10.847 1.00 53.54 H new ATOM 0 HD22 ASN A 515 -0.025 7.737 -9.302 1.00 53.54 H new ATOM 1045 N GLY A 516 0.554 2.928 -11.351 1.00 41.55 N ATOM 1046 CA GLY A 516 0.525 2.042 -12.485 1.00 11.42 C ATOM 1047 C GLY A 516 1.674 1.083 -12.418 1.00 42.02 C ATOM 1048 O GLY A 516 2.147 0.582 -13.431 1.00 54.12 O ATOM 0 H GLY A 516 1.311 2.742 -10.693 1.00 41.55 H new ATOM 0 HA2 GLY A 516 -0.416 1.493 -12.504 1.00 11.42 H new ATOM 0 HA3 GLY A 516 0.576 2.619 -13.408 1.00 11.42 H new ATOM 1052 N VAL A 517 2.116 0.818 -11.212 1.00 22.14 N ATOM 1053 CA VAL A 517 3.287 0.009 -11.000 1.00 63.31 C ATOM 1054 C VAL A 517 2.935 -1.190 -10.145 1.00 54.24 C ATOM 1055 O VAL A 517 2.216 -1.055 -9.151 1.00 1.34 O ATOM 1056 CB VAL A 517 4.423 0.837 -10.332 1.00 24.50 C ATOM 1057 CG1 VAL A 517 5.666 0.004 -10.145 1.00 54.20 C ATOM 1058 CG2 VAL A 517 4.749 2.066 -11.164 1.00 52.50 C ATOM 0 H VAL A 517 1.676 1.156 -10.356 1.00 22.14 H new ATOM 0 HA VAL A 517 3.649 -0.337 -11.968 1.00 63.31 H new ATOM 0 HB VAL A 517 4.068 1.154 -9.351 1.00 24.50 H new ATOM 0 HG11 VAL A 517 6.442 0.609 -9.676 1.00 54.20 H new ATOM 0 HG12 VAL A 517 5.439 -0.851 -9.509 1.00 54.20 H new ATOM 0 HG13 VAL A 517 6.017 -0.349 -11.115 1.00 54.20 H new ATOM 0 HG21 VAL A 517 5.545 2.632 -10.681 1.00 52.50 H new ATOM 0 HG22 VAL A 517 5.075 1.757 -12.157 1.00 52.50 H new ATOM 0 HG23 VAL A 517 3.861 2.692 -11.252 1.00 52.50 H new ATOM 1068 N ASP A 518 3.443 -2.344 -10.523 1.00 23.33 N ATOM 1069 CA ASP A 518 3.175 -3.590 -9.819 1.00 12.14 C ATOM 1070 C ASP A 518 4.105 -3.695 -8.641 1.00 50.41 C ATOM 1071 O ASP A 518 5.333 -3.585 -8.789 1.00 13.33 O ATOM 1072 CB ASP A 518 3.365 -4.775 -10.756 1.00 52.20 C ATOM 1073 CG ASP A 518 3.119 -6.110 -10.092 1.00 62.34 C ATOM 1074 OD1 ASP A 518 4.055 -6.675 -9.528 1.00 11.43 O ATOM 1075 OD2 ASP A 518 1.982 -6.620 -10.160 1.00 45.13 O ATOM 0 H ASP A 518 4.057 -2.450 -11.331 1.00 23.33 H new ATOM 0 HA ASP A 518 2.143 -3.599 -9.467 1.00 12.14 H new ATOM 0 HB2 ASP A 518 2.689 -4.670 -11.605 1.00 52.20 H new ATOM 0 HB3 ASP A 518 4.380 -4.756 -11.152 1.00 52.20 H new ATOM 1080 N LEU A 519 3.542 -3.888 -7.486 1.00 60.50 N ATOM 1081 CA LEU A 519 4.309 -3.856 -6.259 1.00 2.23 C ATOM 1082 C LEU A 519 4.750 -5.216 -5.839 1.00 53.12 C ATOM 1083 O LEU A 519 5.841 -5.386 -5.288 1.00 73.43 O ATOM 1084 CB LEU A 519 3.452 -3.302 -5.163 1.00 3.21 C ATOM 1085 CG LEU A 519 2.725 -2.030 -5.483 1.00 74.30 C ATOM 1086 CD1 LEU A 519 1.950 -1.584 -4.282 1.00 0.23 C ATOM 1087 CD2 LEU A 519 3.682 -0.970 -5.967 1.00 40.01 C ATOM 0 H LEU A 519 2.547 -4.071 -7.359 1.00 60.50 H new ATOM 0 HA LEU A 519 5.189 -3.239 -6.440 1.00 2.23 H new ATOM 0 HB2 LEU A 519 2.718 -4.058 -4.884 1.00 3.21 H new ATOM 0 HB3 LEU A 519 4.080 -3.130 -4.289 1.00 3.21 H new ATOM 0 HG LEU A 519 2.021 -2.209 -6.296 1.00 74.30 H new ATOM 0 HD11 LEU A 519 1.421 -0.659 -4.513 1.00 0.23 H new ATOM 0 HD12 LEU A 519 1.230 -2.355 -4.007 1.00 0.23 H new ATOM 0 HD13 LEU A 519 2.634 -1.413 -3.451 1.00 0.23 H new ATOM 0 HD21 LEU A 519 3.130 -0.057 -6.192 1.00 40.01 H new ATOM 0 HD22 LEU A 519 4.421 -0.765 -5.192 1.00 40.01 H new ATOM 0 HD23 LEU A 519 4.188 -1.320 -6.867 1.00 40.01 H new ATOM 1099 N VAL A 520 3.916 -6.183 -6.089 1.00 34.14 N ATOM 1100 CA VAL A 520 4.151 -7.515 -5.623 1.00 52.12 C ATOM 1101 C VAL A 520 5.219 -8.194 -6.473 1.00 20.22 C ATOM 1102 O VAL A 520 4.937 -8.832 -7.500 1.00 11.44 O ATOM 1103 CB VAL A 520 2.833 -8.330 -5.554 1.00 74.43 C ATOM 1104 CG1 VAL A 520 3.055 -9.711 -4.957 1.00 10.12 C ATOM 1105 CG2 VAL A 520 1.784 -7.557 -4.754 1.00 60.03 C ATOM 0 H VAL A 520 3.054 -6.069 -6.622 1.00 34.14 H new ATOM 0 HA VAL A 520 4.532 -7.467 -4.603 1.00 52.12 H new ATOM 0 HB VAL A 520 2.471 -8.474 -6.572 1.00 74.43 H new ATOM 0 HG11 VAL A 520 2.108 -10.250 -4.926 1.00 10.12 H new ATOM 0 HG12 VAL A 520 3.767 -10.263 -5.571 1.00 10.12 H new ATOM 0 HG13 VAL A 520 3.449 -9.611 -3.946 1.00 10.12 H new ATOM 0 HG21 VAL A 520 0.861 -8.135 -4.710 1.00 60.03 H new ATOM 0 HG22 VAL A 520 2.152 -7.384 -3.743 1.00 60.03 H new ATOM 0 HG23 VAL A 520 1.590 -6.600 -5.238 1.00 60.03 H new ATOM 1115 N GLY A 521 6.448 -7.989 -6.056 1.00 32.45 N ATOM 1116 CA GLY A 521 7.591 -8.474 -6.756 1.00 11.05 C ATOM 1117 C GLY A 521 8.767 -7.546 -6.540 1.00 2.14 C ATOM 1118 O GLY A 521 9.930 -7.971 -6.597 1.00 22.32 O ATOM 0 H GLY A 521 6.673 -7.471 -5.206 1.00 32.45 H new ATOM 0 HA2 GLY A 521 7.841 -9.477 -6.409 1.00 11.05 H new ATOM 0 HA3 GLY A 521 7.369 -8.551 -7.820 1.00 11.05 H new ATOM 1122 N LYS A 522 8.468 -6.279 -6.271 1.00 5.01 N ATOM 1123 CA LYS A 522 9.500 -5.285 -6.033 1.00 71.44 C ATOM 1124 C LYS A 522 9.627 -4.946 -4.556 1.00 65.42 C ATOM 1125 O LYS A 522 8.876 -5.454 -3.727 1.00 0.11 O ATOM 1126 CB LYS A 522 9.296 -4.016 -6.859 1.00 13.33 C ATOM 1127 CG LYS A 522 7.971 -3.290 -6.667 1.00 55.54 C ATOM 1128 CD LYS A 522 7.984 -1.868 -7.267 1.00 52.21 C ATOM 1129 CE LYS A 522 8.172 -1.799 -8.802 1.00 22.43 C ATOM 1130 NZ LYS A 522 9.475 -2.313 -9.302 1.00 22.40 N ATOM 0 H LYS A 522 7.515 -5.919 -6.213 1.00 5.01 H new ATOM 0 HA LYS A 522 10.435 -5.739 -6.361 1.00 71.44 H new ATOM 0 HB2 LYS A 522 10.103 -3.322 -6.624 1.00 13.33 H new ATOM 0 HB3 LYS A 522 9.394 -4.275 -7.913 1.00 13.33 H new ATOM 0 HG2 LYS A 522 7.172 -3.869 -7.131 1.00 55.54 H new ATOM 0 HG3 LYS A 522 7.744 -3.230 -5.603 1.00 55.54 H new ATOM 0 HD2 LYS A 522 7.047 -1.374 -7.010 1.00 52.21 H new ATOM 0 HD3 LYS A 522 8.784 -1.299 -6.794 1.00 52.21 H new ATOM 0 HE2 LYS A 522 7.370 -2.364 -9.276 1.00 22.43 H new ATOM 0 HE3 LYS A 522 8.062 -0.762 -9.120 1.00 22.43 H new ATOM 0 HZ1 LYS A 522 9.837 -1.679 -10.043 1.00 22.40 H new ATOM 0 HZ2 LYS A 522 10.157 -2.353 -8.517 1.00 22.40 H new ATOM 0 HZ3 LYS A 522 9.344 -3.267 -9.696 1.00 22.40 H new ATOM 1144 N SER A 523 10.580 -4.099 -4.234 1.00 43.21 N ATOM 1145 CA SER A 523 10.857 -3.735 -2.866 1.00 12.32 C ATOM 1146 C SER A 523 10.051 -2.508 -2.412 1.00 4.55 C ATOM 1147 O SER A 523 9.578 -1.714 -3.229 1.00 31.11 O ATOM 1148 CB SER A 523 12.334 -3.431 -2.726 1.00 51.12 C ATOM 1149 OG SER A 523 13.131 -4.519 -3.182 1.00 21.45 O ATOM 0 H SER A 523 11.185 -3.643 -4.917 1.00 43.21 H new ATOM 0 HA SER A 523 10.566 -4.575 -2.235 1.00 12.32 H new ATOM 0 HB2 SER A 523 12.579 -2.534 -3.295 1.00 51.12 H new ATOM 0 HB3 SER A 523 12.567 -3.219 -1.682 1.00 51.12 H new ATOM 0 HG SER A 523 14.080 -4.294 -3.081 1.00 21.45 H new ATOM 1155 N GLN A 524 9.943 -2.366 -1.100 1.00 4.03 N ATOM 1156 CA GLN A 524 9.269 -1.249 -0.436 1.00 20.22 C ATOM 1157 C GLN A 524 9.757 0.116 -0.885 1.00 0.04 C ATOM 1158 O GLN A 524 8.949 0.984 -1.207 1.00 52.34 O ATOM 1159 CB GLN A 524 9.424 -1.399 1.067 1.00 3.41 C ATOM 1160 CG GLN A 524 8.409 -2.311 1.693 1.00 41.55 C ATOM 1161 CD GLN A 524 7.103 -1.597 1.899 1.00 13.40 C ATOM 1162 OE1 GLN A 524 7.075 -0.398 2.116 1.00 11.11 O ATOM 1163 NE2 GLN A 524 6.027 -2.303 1.837 1.00 74.31 N ATOM 0 H GLN A 524 10.332 -3.043 -0.444 1.00 4.03 H new ATOM 0 HA GLN A 524 8.218 -1.294 -0.722 1.00 20.22 H new ATOM 0 HB2 GLN A 524 10.422 -1.779 1.284 1.00 3.41 H new ATOM 0 HB3 GLN A 524 9.350 -0.415 1.530 1.00 3.41 H new ATOM 0 HG2 GLN A 524 8.255 -3.182 1.057 1.00 41.55 H new ATOM 0 HG3 GLN A 524 8.783 -2.677 2.649 1.00 41.55 H new ATOM 0 HE21 GLN A 524 6.084 -3.305 1.654 1.00 74.31 H new ATOM 0 HE22 GLN A 524 5.118 -1.860 1.971 1.00 74.31 H new ATOM 1172 N GLU A 525 11.073 0.310 -0.939 1.00 11.31 N ATOM 1173 CA GLU A 525 11.622 1.607 -1.325 1.00 52.01 C ATOM 1174 C GLU A 525 11.238 1.983 -2.745 1.00 61.20 C ATOM 1175 O GLU A 525 11.042 3.152 -3.050 1.00 1.30 O ATOM 1176 CB GLU A 525 13.121 1.660 -1.145 1.00 21.04 C ATOM 1177 CG GLU A 525 13.563 1.477 0.287 1.00 32.11 C ATOM 1178 CD GLU A 525 15.055 1.562 0.426 1.00 21.22 C ATOM 1179 OE1 GLU A 525 15.734 0.529 0.268 1.00 51.30 O ATOM 1180 OE2 GLU A 525 15.574 2.673 0.696 1.00 62.24 O ATOM 0 H GLU A 525 11.770 -0.403 -0.724 1.00 11.31 H new ATOM 0 HA GLU A 525 11.180 2.343 -0.654 1.00 52.01 H new ATOM 0 HB2 GLU A 525 13.580 0.886 -1.760 1.00 21.04 H new ATOM 0 HB3 GLU A 525 13.489 2.619 -1.511 1.00 21.04 H new ATOM 0 HG2 GLU A 525 13.096 2.239 0.911 1.00 32.11 H new ATOM 0 HG3 GLU A 525 13.219 0.510 0.653 1.00 32.11 H new ATOM 1187 N GLU A 526 11.104 0.991 -3.595 1.00 31.33 N ATOM 1188 CA GLU A 526 10.688 1.211 -4.967 1.00 32.43 C ATOM 1189 C GLU A 526 9.277 1.778 -5.009 1.00 62.52 C ATOM 1190 O GLU A 526 8.968 2.664 -5.817 1.00 71.35 O ATOM 1191 CB GLU A 526 10.732 -0.087 -5.735 1.00 52.41 C ATOM 1192 CG GLU A 526 12.117 -0.671 -5.919 1.00 54.01 C ATOM 1193 CD GLU A 526 12.073 -1.979 -6.664 1.00 64.44 C ATOM 1194 OE1 GLU A 526 11.720 -1.985 -7.859 1.00 5.02 O ATOM 1195 OE2 GLU A 526 12.346 -3.033 -6.049 1.00 4.33 O ATOM 0 H GLU A 526 11.278 0.014 -3.360 1.00 31.33 H new ATOM 0 HA GLU A 526 11.372 1.926 -5.425 1.00 32.43 H new ATOM 0 HB2 GLU A 526 10.110 -0.819 -5.219 1.00 52.41 H new ATOM 0 HB3 GLU A 526 10.287 0.073 -6.717 1.00 52.41 H new ATOM 0 HG2 GLU A 526 12.742 0.037 -6.463 1.00 54.01 H new ATOM 0 HG3 GLU A 526 12.581 -0.822 -4.944 1.00 54.01 H new ATOM 1202 N VAL A 527 8.434 1.280 -4.128 1.00 51.02 N ATOM 1203 CA VAL A 527 7.056 1.713 -4.063 1.00 55.53 C ATOM 1204 C VAL A 527 6.986 3.109 -3.449 1.00 45.24 C ATOM 1205 O VAL A 527 6.247 3.972 -3.930 1.00 22.13 O ATOM 1206 CB VAL A 527 6.195 0.753 -3.205 1.00 33.42 C ATOM 1207 CG1 VAL A 527 4.718 1.096 -3.296 1.00 74.04 C ATOM 1208 CG2 VAL A 527 6.460 -0.716 -3.530 1.00 12.33 C ATOM 0 H VAL A 527 8.684 0.568 -3.441 1.00 51.02 H new ATOM 0 HA VAL A 527 6.664 1.718 -5.080 1.00 55.53 H new ATOM 0 HB VAL A 527 6.500 0.898 -2.169 1.00 33.42 H new ATOM 0 HG11 VAL A 527 4.145 0.402 -2.682 1.00 74.04 H new ATOM 0 HG12 VAL A 527 4.558 2.114 -2.939 1.00 74.04 H new ATOM 0 HG13 VAL A 527 4.390 1.019 -4.333 1.00 74.04 H new ATOM 0 HG21 VAL A 527 5.832 -1.347 -2.901 1.00 12.33 H new ATOM 0 HG22 VAL A 527 6.229 -0.904 -4.579 1.00 12.33 H new ATOM 0 HG23 VAL A 527 7.509 -0.947 -3.342 1.00 12.33 H new ATOM 1218 N VAL A 528 7.780 3.346 -2.406 1.00 4.32 N ATOM 1219 CA VAL A 528 7.721 4.647 -1.737 1.00 23.40 C ATOM 1220 C VAL A 528 8.200 5.747 -2.671 1.00 31.42 C ATOM 1221 O VAL A 528 7.615 6.812 -2.739 1.00 75.24 O ATOM 1222 CB VAL A 528 8.488 4.723 -0.371 1.00 12.45 C ATOM 1223 CG1 VAL A 528 8.088 3.621 0.584 1.00 74.20 C ATOM 1224 CG2 VAL A 528 9.999 4.835 -0.510 1.00 24.32 C ATOM 0 H VAL A 528 8.449 2.682 -2.016 1.00 4.32 H new ATOM 0 HA VAL A 528 6.670 4.792 -1.488 1.00 23.40 H new ATOM 0 HB VAL A 528 8.167 5.666 0.072 1.00 12.45 H new ATOM 0 HG11 VAL A 528 8.650 3.723 1.513 1.00 74.20 H new ATOM 0 HG12 VAL A 528 7.021 3.692 0.796 1.00 74.20 H new ATOM 0 HG13 VAL A 528 8.304 2.652 0.133 1.00 74.20 H new ATOM 0 HG21 VAL A 528 10.453 4.882 0.480 1.00 24.32 H new ATOM 0 HG22 VAL A 528 10.381 3.964 -1.043 1.00 24.32 H new ATOM 0 HG23 VAL A 528 10.247 5.739 -1.067 1.00 24.32 H new ATOM 1234 N SER A 529 9.237 5.452 -3.414 1.00 61.31 N ATOM 1235 CA SER A 529 9.815 6.385 -4.353 1.00 21.33 C ATOM 1236 C SER A 529 8.827 6.757 -5.463 1.00 73.34 C ATOM 1237 O SER A 529 8.748 7.919 -5.864 1.00 41.33 O ATOM 1238 CB SER A 529 11.096 5.808 -4.939 1.00 72.21 C ATOM 1239 OG SER A 529 12.006 5.459 -3.904 1.00 43.31 O ATOM 0 H SER A 529 9.710 4.549 -3.385 1.00 61.31 H new ATOM 0 HA SER A 529 10.054 7.302 -3.814 1.00 21.33 H new ATOM 0 HB2 SER A 529 10.864 4.928 -5.539 1.00 72.21 H new ATOM 0 HB3 SER A 529 11.557 6.536 -5.606 1.00 72.21 H new ATOM 0 HG SER A 529 11.647 4.703 -3.394 1.00 43.31 H new ATOM 1245 N LEU A 530 8.041 5.787 -5.927 1.00 32.25 N ATOM 1246 CA LEU A 530 7.093 6.057 -6.995 1.00 2.21 C ATOM 1247 C LEU A 530 5.973 6.963 -6.442 1.00 54.44 C ATOM 1248 O LEU A 530 5.428 7.822 -7.153 1.00 61.04 O ATOM 1249 CB LEU A 530 6.565 4.717 -7.629 1.00 63.14 C ATOM 1250 CG LEU A 530 5.521 3.886 -6.879 1.00 33.32 C ATOM 1251 CD1 LEU A 530 4.135 4.504 -7.013 1.00 12.13 C ATOM 1252 CD2 LEU A 530 5.528 2.459 -7.375 1.00 14.34 C ATOM 0 H LEU A 530 8.043 4.826 -5.585 1.00 32.25 H new ATOM 0 HA LEU A 530 7.578 6.590 -7.813 1.00 2.21 H new ATOM 0 HB2 LEU A 530 6.147 4.961 -8.606 1.00 63.14 H new ATOM 0 HB3 LEU A 530 7.429 4.076 -7.803 1.00 63.14 H new ATOM 0 HG LEU A 530 5.782 3.881 -5.821 1.00 33.32 H new ATOM 0 HD11 LEU A 530 3.411 3.895 -6.471 1.00 12.13 H new ATOM 0 HD12 LEU A 530 4.144 5.512 -6.598 1.00 12.13 H new ATOM 0 HD13 LEU A 530 3.857 4.548 -8.066 1.00 12.13 H new ATOM 0 HD21 LEU A 530 4.780 1.881 -6.832 1.00 14.34 H new ATOM 0 HD22 LEU A 530 5.296 2.443 -8.440 1.00 14.34 H new ATOM 0 HD23 LEU A 530 6.513 2.022 -7.212 1.00 14.34 H new ATOM 1264 N LEU A 531 5.661 6.767 -5.157 1.00 54.03 N ATOM 1265 CA LEU A 531 4.715 7.589 -4.431 1.00 42.01 C ATOM 1266 C LEU A 531 5.238 8.989 -4.308 1.00 21.24 C ATOM 1267 O LEU A 531 4.537 9.954 -4.614 1.00 64.10 O ATOM 1268 CB LEU A 531 4.445 6.956 -3.038 1.00 63.32 C ATOM 1269 CG LEU A 531 3.716 7.801 -1.979 1.00 0.45 C ATOM 1270 CD1 LEU A 531 3.023 6.891 -0.983 1.00 23.35 C ATOM 1271 CD2 LEU A 531 4.711 8.647 -1.184 1.00 30.33 C ATOM 0 H LEU A 531 6.069 6.021 -4.594 1.00 54.03 H new ATOM 0 HA LEU A 531 3.772 7.636 -4.975 1.00 42.01 H new ATOM 0 HB2 LEU A 531 3.865 6.046 -3.194 1.00 63.32 H new ATOM 0 HB3 LEU A 531 5.405 6.654 -2.619 1.00 63.32 H new ATOM 0 HG LEU A 531 3.002 8.438 -2.501 1.00 0.45 H new ATOM 0 HD11 LEU A 531 2.508 7.495 -0.235 1.00 23.35 H new ATOM 0 HD12 LEU A 531 2.299 6.265 -1.505 1.00 23.35 H new ATOM 0 HD13 LEU A 531 3.763 6.259 -0.492 1.00 23.35 H new ATOM 0 HD21 LEU A 531 4.175 9.237 -0.441 1.00 30.33 H new ATOM 0 HD22 LEU A 531 5.425 7.994 -0.683 1.00 30.33 H new ATOM 0 HD23 LEU A 531 5.244 9.315 -1.861 1.00 30.33 H new ATOM 1283 N ARG A 532 6.491 9.092 -3.897 1.00 32.42 N ATOM 1284 CA ARG A 532 7.134 10.372 -3.681 1.00 2.22 C ATOM 1285 C ARG A 532 7.179 11.169 -4.990 1.00 33.40 C ATOM 1286 O ARG A 532 7.131 12.400 -4.993 1.00 24.12 O ATOM 1287 CB ARG A 532 8.569 10.192 -3.141 1.00 31.20 C ATOM 1288 CG ARG A 532 8.694 9.459 -1.797 1.00 65.05 C ATOM 1289 CD ARG A 532 8.005 10.204 -0.676 1.00 11.23 C ATOM 1290 NE ARG A 532 8.498 11.580 -0.563 1.00 45.30 N ATOM 1291 CZ ARG A 532 7.863 12.578 0.060 1.00 42.32 C ATOM 1292 NH1 ARG A 532 6.753 12.339 0.756 1.00 13.45 N ATOM 1293 NH2 ARG A 532 8.355 13.813 0.004 1.00 21.50 N ATOM 0 H ARG A 532 7.089 8.289 -3.704 1.00 32.42 H new ATOM 0 HA ARG A 532 6.550 10.917 -2.940 1.00 2.22 H new ATOM 0 HB2 ARG A 532 9.151 9.648 -3.885 1.00 31.20 H new ATOM 0 HB3 ARG A 532 9.024 11.177 -3.039 1.00 31.20 H new ATOM 0 HG2 ARG A 532 8.263 8.462 -1.887 1.00 65.05 H new ATOM 0 HG3 ARG A 532 9.748 9.330 -1.552 1.00 65.05 H new ATOM 0 HD2 ARG A 532 6.929 10.215 -0.852 1.00 11.23 H new ATOM 0 HD3 ARG A 532 8.168 9.679 0.265 1.00 11.23 H new ATOM 0 HE ARG A 532 9.397 11.793 -0.994 1.00 45.30 H new ATOM 0 HH11 ARG A 532 6.383 11.390 0.816 1.00 13.45 H new ATOM 0 HH12 ARG A 532 6.273 13.105 1.229 1.00 13.45 H new ATOM 0 HH21 ARG A 532 9.215 13.997 -0.513 1.00 21.50 H new ATOM 0 HH22 ARG A 532 7.872 14.576 0.478 1.00 21.50 H new ATOM 1307 N SER A 533 7.276 10.450 -6.085 1.00 42.21 N ATOM 1308 CA SER A 533 7.309 11.037 -7.390 1.00 54.30 C ATOM 1309 C SER A 533 5.895 11.487 -7.813 1.00 52.01 C ATOM 1310 O SER A 533 5.720 12.605 -8.322 1.00 24.13 O ATOM 1311 CB SER A 533 7.887 10.014 -8.383 1.00 61.33 C ATOM 1312 OG SER A 533 8.005 10.541 -9.692 1.00 41.43 O ATOM 0 H SER A 533 7.334 9.432 -6.087 1.00 42.21 H new ATOM 0 HA SER A 533 7.946 11.922 -7.381 1.00 54.30 H new ATOM 0 HB2 SER A 533 8.867 9.688 -8.036 1.00 61.33 H new ATOM 0 HB3 SER A 533 7.247 9.132 -8.406 1.00 61.33 H new ATOM 0 HG SER A 533 8.377 9.858 -10.287 1.00 41.43 H new ATOM 1318 N THR A 534 4.887 10.625 -7.559 1.00 71.31 N ATOM 1319 CA THR A 534 3.484 10.894 -7.914 1.00 24.45 C ATOM 1320 C THR A 534 3.357 10.977 -9.480 1.00 45.30 C ATOM 1321 O THR A 534 4.351 10.816 -10.202 1.00 2.03 O ATOM 1322 CB THR A 534 2.991 12.239 -7.221 1.00 55.32 C ATOM 1323 OG1 THR A 534 3.369 12.220 -5.828 1.00 75.11 O ATOM 1324 CG2 THR A 534 1.444 12.423 -7.298 1.00 5.42 C ATOM 0 H THR A 534 5.027 9.724 -7.102 1.00 71.31 H new ATOM 0 HA THR A 534 2.848 10.085 -7.554 1.00 24.45 H new ATOM 0 HB THR A 534 3.460 13.065 -7.756 1.00 55.32 H new ATOM 0 HG1 THR A 534 3.663 11.318 -5.581 1.00 75.11 H new ATOM 0 HG21 THR A 534 1.164 13.356 -6.810 1.00 5.42 H new ATOM 0 HG22 THR A 534 1.133 12.452 -8.342 1.00 5.42 H new ATOM 0 HG23 THR A 534 0.953 11.589 -6.796 1.00 5.42 H new ATOM 1332 N LYS A 535 2.166 11.160 -9.984 1.00 32.51 N ATOM 1333 CA LYS A 535 1.963 11.352 -11.398 1.00 31.15 C ATOM 1334 C LYS A 535 1.733 12.834 -11.665 1.00 51.33 C ATOM 1335 O LYS A 535 1.042 13.493 -10.885 1.00 3.13 O ATOM 1336 CB LYS A 535 0.795 10.481 -11.896 1.00 42.25 C ATOM 1337 CG LYS A 535 0.419 10.731 -13.332 1.00 50.45 C ATOM 1338 CD LYS A 535 -0.556 9.694 -13.904 1.00 14.34 C ATOM 1339 CE LYS A 535 -1.898 9.683 -13.201 1.00 44.15 C ATOM 1340 NZ LYS A 535 -2.821 8.695 -13.787 1.00 12.54 N ATOM 0 H LYS A 535 1.310 11.180 -9.429 1.00 32.51 H new ATOM 0 HA LYS A 535 2.847 11.037 -11.953 1.00 31.15 H new ATOM 0 HB2 LYS A 535 1.061 9.431 -11.778 1.00 42.25 H new ATOM 0 HB3 LYS A 535 -0.076 10.662 -11.266 1.00 42.25 H new ATOM 0 HG2 LYS A 535 -0.029 11.721 -13.414 1.00 50.45 H new ATOM 0 HG3 LYS A 535 1.324 10.739 -13.939 1.00 50.45 H new ATOM 0 HD2 LYS A 535 -0.710 9.896 -14.964 1.00 14.34 H new ATOM 0 HD3 LYS A 535 -0.107 8.704 -13.831 1.00 14.34 H new ATOM 0 HE2 LYS A 535 -1.752 9.460 -12.144 1.00 44.15 H new ATOM 0 HE3 LYS A 535 -2.345 10.675 -13.258 1.00 44.15 H new ATOM 0 HZ1 LYS A 535 -3.727 8.721 -13.277 1.00 12.54 H new ATOM 0 HZ2 LYS A 535 -2.982 8.922 -14.789 1.00 12.54 H new ATOM 0 HZ3 LYS A 535 -2.407 7.744 -13.709 1.00 12.54 H new ATOM 1354 N MET A 536 2.310 13.359 -12.748 1.00 21.12 N ATOM 1355 CA MET A 536 2.225 14.801 -13.066 1.00 34.04 C ATOM 1356 C MET A 536 0.806 15.265 -13.383 1.00 53.21 C ATOM 1357 O MET A 536 0.502 16.468 -13.302 1.00 12.11 O ATOM 1358 CB MET A 536 3.216 15.217 -14.165 1.00 43.43 C ATOM 1359 CG MET A 536 4.677 15.090 -13.750 1.00 40.11 C ATOM 1360 SD MET A 536 5.851 15.603 -15.029 1.00 41.04 S ATOM 1361 CE MET A 536 5.393 17.323 -15.254 1.00 15.44 C ATOM 0 H MET A 536 2.843 12.813 -13.425 1.00 21.12 H new ATOM 0 HA MET A 536 2.519 15.318 -12.152 1.00 34.04 H new ATOM 0 HB2 MET A 536 3.044 14.603 -15.049 1.00 43.43 H new ATOM 0 HB3 MET A 536 3.017 16.250 -14.450 1.00 43.43 H new ATOM 0 HG2 MET A 536 4.844 15.690 -12.856 1.00 40.11 H new ATOM 0 HG3 MET A 536 4.879 14.053 -13.480 1.00 40.11 H new ATOM 0 HE1 MET A 536 6.211 17.857 -15.739 1.00 15.44 H new ATOM 0 HE2 MET A 536 4.501 17.383 -15.877 1.00 15.44 H new ATOM 0 HE3 MET A 536 5.189 17.775 -14.283 1.00 15.44 H new ATOM 1371 N GLU A 537 -0.058 14.321 -13.752 1.00 62.31 N ATOM 1372 CA GLU A 537 -1.481 14.596 -13.934 1.00 43.21 C ATOM 1373 C GLU A 537 -2.040 15.133 -12.621 1.00 71.14 C ATOM 1374 O GLU A 537 -2.858 16.051 -12.599 1.00 23.23 O ATOM 1375 CB GLU A 537 -2.230 13.309 -14.283 1.00 42.51 C ATOM 1376 CG GLU A 537 -3.725 13.502 -14.507 1.00 43.23 C ATOM 1377 CD GLU A 537 -4.471 12.205 -14.664 1.00 11.44 C ATOM 1378 OE1 GLU A 537 -4.529 11.670 -15.783 1.00 55.11 O ATOM 1379 OE2 GLU A 537 -5.025 11.709 -13.661 1.00 64.41 O ATOM 0 H GLU A 537 0.206 13.352 -13.932 1.00 62.31 H new ATOM 0 HA GLU A 537 -1.607 15.318 -14.741 1.00 43.21 H new ATOM 0 HB2 GLU A 537 -1.791 12.878 -15.183 1.00 42.51 H new ATOM 0 HB3 GLU A 537 -2.084 12.587 -13.480 1.00 42.51 H new ATOM 0 HG2 GLU A 537 -4.144 14.055 -13.666 1.00 43.23 H new ATOM 0 HG3 GLU A 537 -3.877 14.112 -15.398 1.00 43.23 H new ATOM 1386 N GLY A 538 -1.566 14.549 -11.535 1.00 61.50 N ATOM 1387 CA GLY A 538 -1.983 14.941 -10.223 1.00 14.41 C ATOM 1388 C GLY A 538 -2.711 13.841 -9.499 1.00 75.55 C ATOM 1389 O GLY A 538 -2.733 13.804 -8.273 1.00 13.32 O ATOM 0 H GLY A 538 -0.883 13.792 -11.550 1.00 61.50 H new ATOM 0 HA2 GLY A 538 -1.111 15.239 -9.642 1.00 14.41 H new ATOM 0 HA3 GLY A 538 -2.631 15.814 -10.297 1.00 14.41 H new ATOM 1393 N THR A 539 -3.289 12.935 -10.239 1.00 24.14 N ATOM 1394 CA THR A 539 -4.057 11.877 -9.639 1.00 70.33 C ATOM 1395 C THR A 539 -3.186 10.618 -9.486 1.00 15.23 C ATOM 1396 O THR A 539 -2.355 10.321 -10.345 1.00 12.22 O ATOM 1397 CB THR A 539 -5.243 11.526 -10.536 1.00 41.40 C ATOM 1398 OG1 THR A 539 -5.665 12.697 -11.255 1.00 40.24 O ATOM 1399 CG2 THR A 539 -6.406 11.056 -9.688 1.00 33.23 C ATOM 0 H THR A 539 -3.243 12.907 -11.258 1.00 24.14 H new ATOM 0 HA THR A 539 -4.406 12.214 -8.663 1.00 70.33 H new ATOM 0 HB THR A 539 -4.938 10.741 -11.228 1.00 41.40 H new ATOM 0 HG1 THR A 539 -5.652 12.512 -12.217 1.00 40.24 H new ATOM 0 HG21 THR A 539 -7.249 10.807 -10.333 1.00 33.23 H new ATOM 0 HG22 THR A 539 -6.110 10.173 -9.121 1.00 33.23 H new ATOM 0 HG23 THR A 539 -6.698 11.849 -8.999 1.00 33.23 H new ATOM 1407 N VAL A 540 -3.341 9.928 -8.390 1.00 2.40 N ATOM 1408 CA VAL A 540 -2.676 8.672 -8.157 1.00 32.21 C ATOM 1409 C VAL A 540 -3.673 7.540 -7.961 1.00 11.14 C ATOM 1410 O VAL A 540 -4.641 7.682 -7.235 1.00 64.20 O ATOM 1411 CB VAL A 540 -1.709 8.771 -6.958 1.00 41.35 C ATOM 1412 CG1 VAL A 540 -1.195 7.411 -6.522 1.00 51.31 C ATOM 1413 CG2 VAL A 540 -0.549 9.662 -7.319 1.00 52.22 C ATOM 0 H VAL A 540 -3.941 10.225 -7.621 1.00 2.40 H new ATOM 0 HA VAL A 540 -2.089 8.442 -9.046 1.00 32.21 H new ATOM 0 HB VAL A 540 -2.263 9.195 -6.120 1.00 41.35 H new ATOM 0 HG11 VAL A 540 -0.519 7.532 -5.676 1.00 51.31 H new ATOM 0 HG12 VAL A 540 -2.035 6.782 -6.228 1.00 51.31 H new ATOM 0 HG13 VAL A 540 -0.662 6.941 -7.349 1.00 51.31 H new ATOM 0 HG21 VAL A 540 0.134 9.732 -6.472 1.00 52.22 H new ATOM 0 HG22 VAL A 540 -0.022 9.244 -8.176 1.00 52.22 H new ATOM 0 HG23 VAL A 540 -0.918 10.656 -7.570 1.00 52.22 H new ATOM 1423 N SER A 541 -3.423 6.444 -8.635 1.00 30.41 N ATOM 1424 CA SER A 541 -4.226 5.261 -8.519 1.00 3.43 C ATOM 1425 C SER A 541 -3.656 4.342 -7.433 1.00 34.00 C ATOM 1426 O SER A 541 -2.458 4.206 -7.294 1.00 52.13 O ATOM 1427 CB SER A 541 -4.237 4.525 -9.850 1.00 62.55 C ATOM 1428 OG SER A 541 -4.752 5.344 -10.894 1.00 13.42 O ATOM 0 H SER A 541 -2.644 6.352 -9.287 1.00 30.41 H new ATOM 0 HA SER A 541 -5.242 5.546 -8.247 1.00 3.43 H new ATOM 0 HB2 SER A 541 -3.225 4.208 -10.100 1.00 62.55 H new ATOM 0 HB3 SER A 541 -4.841 3.622 -9.763 1.00 62.55 H new ATOM 0 HG SER A 541 -4.744 4.843 -11.736 1.00 13.42 H new ATOM 1434 N LEU A 542 -4.512 3.786 -6.660 1.00 51.51 N ATOM 1435 CA LEU A 542 -4.175 2.845 -5.629 1.00 65.14 C ATOM 1436 C LEU A 542 -4.972 1.604 -5.897 1.00 3.23 C ATOM 1437 O LEU A 542 -6.192 1.667 -5.960 1.00 21.30 O ATOM 1438 CB LEU A 542 -4.590 3.375 -4.227 1.00 62.53 C ATOM 1439 CG LEU A 542 -3.907 4.642 -3.697 1.00 23.41 C ATOM 1440 CD1 LEU A 542 -2.425 4.481 -3.725 1.00 43.03 C ATOM 1441 CD2 LEU A 542 -4.331 5.891 -4.443 1.00 43.53 C ATOM 0 H LEU A 542 -5.513 3.974 -6.721 1.00 51.51 H new ATOM 0 HA LEU A 542 -3.099 2.670 -5.634 1.00 65.14 H new ATOM 0 HB2 LEU A 542 -5.664 3.560 -4.246 1.00 62.53 H new ATOM 0 HB3 LEU A 542 -4.416 2.577 -3.505 1.00 62.53 H new ATOM 0 HG LEU A 542 -4.231 4.774 -2.665 1.00 23.41 H new ATOM 0 HD11 LEU A 542 -1.953 5.388 -3.346 1.00 43.03 H new ATOM 0 HD12 LEU A 542 -2.139 3.635 -3.100 1.00 43.03 H new ATOM 0 HD13 LEU A 542 -2.098 4.303 -4.749 1.00 43.03 H new ATOM 0 HD21 LEU A 542 -3.816 6.756 -4.025 1.00 43.53 H new ATOM 0 HD22 LEU A 542 -4.074 5.790 -5.497 1.00 43.53 H new ATOM 0 HD23 LEU A 542 -5.408 6.026 -4.343 1.00 43.53 H new ATOM 1453 N LEU A 543 -4.322 0.517 -6.097 1.00 52.15 N ATOM 1454 CA LEU A 543 -5.003 -0.725 -6.293 1.00 43.41 C ATOM 1455 C LEU A 543 -4.858 -1.507 -5.030 1.00 41.44 C ATOM 1456 O LEU A 543 -3.728 -1.859 -4.636 1.00 11.02 O ATOM 1457 CB LEU A 543 -4.378 -1.502 -7.440 1.00 24.25 C ATOM 1458 CG LEU A 543 -5.027 -2.841 -7.790 1.00 2.05 C ATOM 1459 CD1 LEU A 543 -6.434 -2.646 -8.317 1.00 50.24 C ATOM 1460 CD2 LEU A 543 -4.176 -3.602 -8.775 1.00 64.30 C ATOM 0 H LEU A 543 -3.304 0.455 -6.131 1.00 52.15 H new ATOM 0 HA LEU A 543 -6.051 -0.548 -6.536 1.00 43.41 H new ATOM 0 HB2 LEU A 543 -4.396 -0.871 -8.329 1.00 24.25 H new ATOM 0 HB3 LEU A 543 -3.331 -1.683 -7.199 1.00 24.25 H new ATOM 0 HG LEU A 543 -5.098 -3.432 -6.877 1.00 2.05 H new ATOM 0 HD11 LEU A 543 -6.870 -3.616 -8.557 1.00 50.24 H new ATOM 0 HD12 LEU A 543 -7.042 -2.153 -7.558 1.00 50.24 H new ATOM 0 HD13 LEU A 543 -6.404 -2.029 -9.215 1.00 50.24 H new ATOM 0 HD21 LEU A 543 -4.655 -4.552 -9.012 1.00 64.30 H new ATOM 0 HD22 LEU A 543 -4.063 -3.016 -9.687 1.00 64.30 H new ATOM 0 HD23 LEU A 543 -3.194 -3.789 -8.340 1.00 64.30 H new ATOM 1472 N VAL A 544 -5.952 -1.786 -4.389 1.00 24.15 N ATOM 1473 CA VAL A 544 -5.889 -2.457 -3.143 1.00 74.01 C ATOM 1474 C VAL A 544 -6.578 -3.791 -3.195 1.00 60.02 C ATOM 1475 O VAL A 544 -7.608 -3.931 -3.817 1.00 31.32 O ATOM 1476 CB VAL A 544 -6.422 -1.582 -1.973 1.00 65.11 C ATOM 1477 CG1 VAL A 544 -5.596 -0.303 -1.855 1.00 62.13 C ATOM 1478 CG2 VAL A 544 -7.898 -1.249 -2.135 1.00 42.22 C ATOM 0 H VAL A 544 -6.892 -1.557 -4.713 1.00 24.15 H new ATOM 0 HA VAL A 544 -4.834 -2.642 -2.941 1.00 74.01 H new ATOM 0 HB VAL A 544 -6.321 -2.162 -1.055 1.00 65.11 H new ATOM 0 HG11 VAL A 544 -5.978 0.302 -1.033 1.00 62.13 H new ATOM 0 HG12 VAL A 544 -4.554 -0.559 -1.664 1.00 62.13 H new ATOM 0 HG13 VAL A 544 -5.666 0.262 -2.784 1.00 62.13 H new ATOM 0 HG21 VAL A 544 -8.227 -0.637 -1.295 1.00 42.22 H new ATOM 0 HG22 VAL A 544 -8.047 -0.700 -3.065 1.00 42.22 H new ATOM 0 HG23 VAL A 544 -8.478 -2.171 -2.161 1.00 42.22 H new ATOM 1488 N PHE A 545 -5.994 -4.760 -2.563 1.00 33.34 N ATOM 1489 CA PHE A 545 -6.544 -6.098 -2.526 1.00 51.30 C ATOM 1490 C PHE A 545 -7.003 -6.398 -1.145 1.00 62.53 C ATOM 1491 O PHE A 545 -6.215 -6.407 -0.206 1.00 53.14 O ATOM 1492 CB PHE A 545 -5.491 -7.129 -2.974 1.00 43.44 C ATOM 1493 CG PHE A 545 -5.881 -8.597 -2.838 1.00 43.14 C ATOM 1494 CD1 PHE A 545 -6.545 -9.260 -3.859 1.00 70.32 C ATOM 1495 CD2 PHE A 545 -5.559 -9.310 -1.690 1.00 12.42 C ATOM 1496 CE1 PHE A 545 -6.877 -10.596 -3.737 1.00 12.43 C ATOM 1497 CE2 PHE A 545 -5.893 -10.644 -1.562 1.00 23.11 C ATOM 1498 CZ PHE A 545 -6.552 -11.287 -2.587 1.00 34.45 C ATOM 0 H PHE A 545 -5.117 -4.655 -2.052 1.00 33.34 H new ATOM 0 HA PHE A 545 -7.389 -6.158 -3.212 1.00 51.30 H new ATOM 0 HB2 PHE A 545 -5.246 -6.936 -4.018 1.00 43.44 H new ATOM 0 HB3 PHE A 545 -4.582 -6.962 -2.397 1.00 43.44 H new ATOM 0 HD1 PHE A 545 -6.806 -8.726 -4.761 1.00 70.32 H new ATOM 0 HD2 PHE A 545 -5.039 -8.813 -0.884 1.00 12.42 H new ATOM 0 HE1 PHE A 545 -7.391 -11.100 -4.542 1.00 12.43 H new ATOM 0 HE2 PHE A 545 -5.638 -11.182 -0.661 1.00 23.11 H new ATOM 0 HZ PHE A 545 -6.814 -12.330 -2.491 1.00 34.45 H new ATOM 1508 N ARG A 546 -8.267 -6.608 -1.006 1.00 73.22 N ATOM 1509 CA ARG A 546 -8.815 -6.957 0.265 1.00 55.34 C ATOM 1510 C ARG A 546 -9.636 -8.195 0.098 1.00 11.13 C ATOM 1511 O ARG A 546 -10.563 -8.236 -0.721 1.00 42.54 O ATOM 1512 CB ARG A 546 -9.673 -5.839 0.845 1.00 42.23 C ATOM 1513 CG ARG A 546 -8.972 -4.483 0.916 1.00 10.14 C ATOM 1514 CD ARG A 546 -9.826 -3.428 1.601 1.00 4.53 C ATOM 1515 NE ARG A 546 -11.159 -3.285 0.992 1.00 60.44 N ATOM 1516 CZ ARG A 546 -11.662 -2.145 0.492 1.00 34.51 C ATOM 1517 NH1 ARG A 546 -10.911 -1.043 0.408 1.00 24.30 N ATOM 1518 NH2 ARG A 546 -12.917 -2.115 0.067 1.00 61.44 N ATOM 0 H ARG A 546 -8.948 -6.544 -1.763 1.00 73.22 H new ATOM 0 HA ARG A 546 -7.996 -7.126 0.964 1.00 55.34 H new ATOM 0 HB2 ARG A 546 -10.575 -5.738 0.241 1.00 42.23 H new ATOM 0 HB3 ARG A 546 -9.991 -6.124 1.848 1.00 42.23 H new ATOM 0 HG2 ARG A 546 -8.030 -4.591 1.454 1.00 10.14 H new ATOM 0 HG3 ARG A 546 -8.726 -4.150 -0.092 1.00 10.14 H new ATOM 0 HD2 ARG A 546 -9.939 -3.687 2.654 1.00 4.53 H new ATOM 0 HD3 ARG A 546 -9.310 -2.469 1.562 1.00 4.53 H new ATOM 0 HE ARG A 546 -11.746 -4.118 0.946 1.00 60.44 H new ATOM 0 HH11 ARG A 546 -9.942 -1.061 0.726 1.00 24.30 H new ATOM 0 HH12 ARG A 546 -11.307 -0.184 0.026 1.00 24.30 H new ATOM 0 HH21 ARG A 546 -13.494 -2.954 0.121 1.00 61.44 H new ATOM 0 HH22 ARG A 546 -13.306 -1.252 -0.314 1.00 61.44 H new