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= -0.183 K(o=-0.18,f=0.8) USER MOD Single : A 463 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 465 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 466 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0123) 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 180:sc= -0.0545 USER MOD Single : A 489 TYR OH : rot 30:sc= 0 USER MOD Single : A 491 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 492 ASN : amide:sc= -2.4! K(o=-2.4!,f=-0.11) USER MOD Single : A 501 GLN : amide:sc= -1.49! K(o=-1.5!,f=-0.14) USER MOD Single : A 506 LYS NZ :NH3+ 145:sc= 1.19 (180deg=0.385) USER MOD Single : A 515 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.0083) USER MOD Single : A 522 LYS NZ :NH3+ -134:sc= -0.468 (180deg=-2.35!) USER MOD Single : A 523 SER OG : rot 180:sc= 0 USER MOD Single : A 524 GLN : amide:sc= -5.12! C(o=-5.1!,f=-7.3!) USER MOD Single : A 529 SER OG : rot -86:sc= 1.26 USER MOD Single : A 533 SER OG : rot 180:sc= 0 USER MOD Single : A 534 THR OG1 : rot 180:sc= 0 USER MOD Single : A 535 LYS NZ :NH3+ 169:sc= -0.0125 (180deg=-0.182) USER MOD Single : A 536 MET CE :methyl 180:sc= 0 (180deg=0) 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 -11.707 -7.937 -1.710 1.00 53.30 N ATOM 139 CA LYS A 458 -11.829 -7.291 -2.992 1.00 71.41 C ATOM 140 C LYS A 458 -10.743 -6.276 -3.194 1.00 54.40 C ATOM 141 O LYS A 458 -10.139 -5.801 -2.237 1.00 31.11 O ATOM 142 CB LYS A 458 -13.196 -6.617 -3.141 1.00 64.30 C ATOM 143 CG LYS A 458 -13.469 -5.526 -2.104 1.00 33.44 C ATOM 144 CD LYS A 458 -14.800 -4.830 -2.347 1.00 73.10 C ATOM 145 CE LYS A 458 -14.837 -4.141 -3.710 1.00 70.40 C ATOM 146 NZ LYS A 458 -16.118 -3.440 -3.936 1.00 34.22 N ATOM 0 HA LYS A 458 -11.732 -8.065 -3.754 1.00 71.41 H new ATOM 0 HB2 LYS A 458 -13.268 -6.182 -4.138 1.00 64.30 H new ATOM 0 HB3 LYS A 458 -13.974 -7.377 -3.067 1.00 64.30 H new ATOM 0 HG2 LYS A 458 -13.466 -5.965 -1.106 1.00 33.44 H new ATOM 0 HG3 LYS A 458 -12.665 -4.791 -2.131 1.00 33.44 H new ATOM 0 HD2 LYS A 458 -15.608 -5.559 -2.286 1.00 73.10 H new ATOM 0 HD3 LYS A 458 -14.974 -4.094 -1.562 1.00 73.10 H new ATOM 0 HE2 LYS A 458 -14.015 -3.428 -3.779 1.00 70.40 H new ATOM 0 HE3 LYS A 458 -14.684 -4.881 -4.496 1.00 70.40 H new ATOM 0 HZ1 LYS A 458 -16.105 -2.985 -4.871 1.00 34.22 H new ATOM 0 HZ2 LYS A 458 -16.900 -4.124 -3.895 1.00 34.22 H new ATOM 0 HZ3 LYS A 458 -16.252 -2.716 -3.201 1.00 34.22 H new ATOM 160 N ARG A 459 -10.499 -5.947 -4.423 1.00 41.05 N ATOM 161 CA ARG A 459 -9.538 -4.938 -4.758 1.00 1.43 C ATOM 162 C ARG A 459 -10.265 -3.662 -5.129 1.00 24.24 C ATOM 163 O ARG A 459 -11.349 -3.702 -5.721 1.00 5.51 O ATOM 164 CB ARG A 459 -8.654 -5.383 -5.905 1.00 41.42 C ATOM 165 CG ARG A 459 -7.907 -6.675 -5.653 1.00 21.14 C ATOM 166 CD ARG A 459 -7.019 -7.016 -6.824 1.00 32.42 C ATOM 167 NE ARG A 459 -7.775 -7.077 -8.081 1.00 15.33 N ATOM 168 CZ ARG A 459 -7.277 -7.418 -9.268 1.00 11.14 C ATOM 169 NH1 ARG A 459 -6.003 -7.827 -9.385 1.00 55.34 N ATOM 170 NH2 ARG A 459 -8.058 -7.364 -10.339 1.00 22.00 N ATOM 0 H ARG A 459 -10.961 -6.371 -5.227 1.00 41.05 H new ATOM 0 HA ARG A 459 -8.899 -4.763 -3.892 1.00 1.43 H new ATOM 0 HB2 ARG A 459 -9.269 -5.501 -6.797 1.00 41.42 H new ATOM 0 HB3 ARG A 459 -7.931 -4.595 -6.118 1.00 41.42 H new ATOM 0 HG2 ARG A 459 -7.305 -6.582 -4.749 1.00 21.14 H new ATOM 0 HG3 ARG A 459 -8.617 -7.484 -5.481 1.00 21.14 H new ATOM 0 HD2 ARG A 459 -6.229 -6.270 -6.911 1.00 32.42 H new ATOM 0 HD3 ARG A 459 -6.533 -7.975 -6.645 1.00 32.42 H new ATOM 0 HE ARG A 459 -8.766 -6.838 -8.042 1.00 15.33 H new ATOM 0 HH11 ARG A 459 -5.406 -7.879 -8.559 1.00 55.34 H new ATOM 0 HH12 ARG A 459 -5.632 -8.086 -10.299 1.00 55.34 H new ATOM 0 HH21 ARG A 459 -9.029 -7.064 -10.248 1.00 22.00 H new ATOM 0 HH22 ARG A 459 -7.688 -7.623 -11.254 1.00 22.00 H new ATOM 184 N LEU A 460 -9.680 -2.549 -4.785 1.00 0.23 N ATOM 185 CA LEU A 460 -10.263 -1.249 -5.031 1.00 34.40 C ATOM 186 C LEU A 460 -9.319 -0.406 -5.811 1.00 30.25 C ATOM 187 O LEU A 460 -8.159 -0.238 -5.416 1.00 45.25 O ATOM 188 CB LEU A 460 -10.582 -0.480 -3.731 1.00 75.41 C ATOM 189 CG LEU A 460 -11.632 -1.044 -2.767 1.00 71.24 C ATOM 190 CD1 LEU A 460 -12.948 -1.231 -3.464 1.00 52.05 C ATOM 191 CD2 LEU A 460 -11.172 -2.317 -2.072 1.00 13.32 C ATOM 0 H LEU A 460 -8.773 -2.513 -4.320 1.00 0.23 H new ATOM 0 HA LEU A 460 -11.190 -1.434 -5.574 1.00 34.40 H new ATOM 0 HB2 LEU A 460 -9.650 -0.374 -3.176 1.00 75.41 H new ATOM 0 HB3 LEU A 460 -10.901 0.523 -4.013 1.00 75.41 H new ATOM 0 HG LEU A 460 -11.769 -0.307 -1.976 1.00 71.24 H new ATOM 0 HD11 LEU A 460 -13.678 -1.632 -2.761 1.00 52.05 H new ATOM 0 HD12 LEU A 460 -13.299 -0.271 -3.843 1.00 52.05 H new ATOM 0 HD13 LEU A 460 -12.824 -1.926 -4.295 1.00 52.05 H new ATOM 0 HD21 LEU A 460 -11.956 -2.670 -1.402 1.00 13.32 H new ATOM 0 HD22 LEU A 460 -10.960 -3.083 -2.818 1.00 13.32 H new ATOM 0 HD23 LEU A 460 -10.269 -2.112 -1.497 1.00 13.32 H new ATOM 203 N ASN A 461 -9.785 0.112 -6.897 1.00 54.33 N ATOM 204 CA ASN A 461 -9.016 1.047 -7.666 1.00 31.11 C ATOM 205 C ASN A 461 -9.347 2.449 -7.195 1.00 24.21 C ATOM 206 O ASN A 461 -10.475 2.914 -7.283 1.00 44.21 O ATOM 207 CB ASN A 461 -9.156 0.854 -9.210 1.00 31.04 C ATOM 208 CG ASN A 461 -10.587 0.821 -9.765 1.00 34.40 C ATOM 209 OD1 ASN A 461 -11.513 1.417 -9.231 1.00 54.34 O ATOM 210 ND2 ASN A 461 -10.758 0.119 -10.860 1.00 34.13 N ATOM 0 H ASN A 461 -10.707 -0.096 -7.281 1.00 54.33 H new ATOM 0 HA ASN A 461 -7.957 0.859 -7.489 1.00 31.11 H new ATOM 0 HB2 ASN A 461 -8.615 1.660 -9.706 1.00 31.04 H new ATOM 0 HB3 ASN A 461 -8.661 -0.078 -9.484 1.00 31.04 H new ATOM 0 HD21 ASN A 461 -11.682 0.060 -11.289 1.00 34.13 H new ATOM 0 HD22 ASN A 461 -9.967 -0.367 -11.283 1.00 34.13 H new ATOM 217 N ILE A 462 -8.378 3.091 -6.656 1.00 61.33 N ATOM 218 CA ILE A 462 -8.561 4.352 -6.022 1.00 41.44 C ATOM 219 C ILE A 462 -7.645 5.397 -6.610 1.00 30.43 C ATOM 220 O ILE A 462 -6.448 5.237 -6.606 1.00 73.02 O ATOM 221 CB ILE A 462 -8.230 4.200 -4.513 1.00 43.03 C ATOM 222 CG1 ILE A 462 -9.195 3.217 -3.834 1.00 53.22 C ATOM 223 CG2 ILE A 462 -8.218 5.542 -3.807 1.00 13.25 C ATOM 224 CD1 ILE A 462 -8.875 2.938 -2.385 1.00 63.31 C ATOM 0 H ILE A 462 -7.416 2.753 -6.640 1.00 61.33 H new ATOM 0 HA ILE A 462 -9.593 4.669 -6.171 1.00 41.44 H new ATOM 0 HB ILE A 462 -7.224 3.787 -4.435 1.00 43.03 H new ATOM 0 HG12 ILE A 462 -10.208 3.615 -3.901 1.00 53.22 H new ATOM 0 HG13 ILE A 462 -9.185 2.276 -4.385 1.00 53.22 H new ATOM 0 HG21 ILE A 462 -7.983 5.396 -2.753 1.00 13.25 H new ATOM 0 HG22 ILE A 462 -7.465 6.185 -4.261 1.00 13.25 H new ATOM 0 HG23 ILE A 462 -9.198 6.010 -3.899 1.00 13.25 H new ATOM 0 HD11 ILE A 462 -9.603 2.235 -1.980 1.00 63.31 H new ATOM 0 HD12 ILE A 462 -7.876 2.509 -2.309 1.00 63.31 H new ATOM 0 HD13 ILE A 462 -8.915 3.868 -1.818 1.00 63.31 H new ATOM 236 N GLN A 463 -8.200 6.446 -7.116 1.00 10.31 N ATOM 237 CA GLN A 463 -7.399 7.553 -7.539 1.00 25.53 C ATOM 238 C GLN A 463 -7.490 8.672 -6.555 1.00 62.42 C ATOM 239 O GLN A 463 -8.586 9.063 -6.130 1.00 4.32 O ATOM 240 CB GLN A 463 -7.689 7.994 -8.962 1.00 42.11 C ATOM 241 CG GLN A 463 -7.143 7.029 -9.993 1.00 3.13 C ATOM 242 CD GLN A 463 -7.458 7.416 -11.408 1.00 63.31 C ATOM 243 OE1 GLN A 463 -7.590 8.598 -11.738 1.00 65.21 O ATOM 244 NE2 GLN A 463 -7.570 6.435 -12.260 1.00 33.41 N ATOM 0 H GLN A 463 -9.204 6.564 -7.248 1.00 10.31 H new ATOM 0 HA GLN A 463 -6.363 7.214 -7.561 1.00 25.53 H new ATOM 0 HB2 GLN A 463 -8.766 8.092 -9.096 1.00 42.11 H new ATOM 0 HB3 GLN A 463 -7.256 8.981 -9.128 1.00 42.11 H new ATOM 0 HG2 GLN A 463 -6.061 6.961 -9.877 1.00 3.13 H new ATOM 0 HG3 GLN A 463 -7.548 6.036 -9.799 1.00 3.13 H new ATOM 0 HE21 GLN A 463 -7.454 5.471 -11.946 1.00 33.41 H new ATOM 0 HE22 GLN A 463 -7.774 6.631 -13.240 1.00 33.41 H new ATOM 253 N LEU A 464 -6.354 9.156 -6.177 1.00 2.44 N ATOM 254 CA LEU A 464 -6.239 10.195 -5.181 1.00 54.54 C ATOM 255 C LEU A 464 -5.502 11.377 -5.763 1.00 71.44 C ATOM 256 O LEU A 464 -4.514 11.197 -6.487 1.00 52.14 O ATOM 257 CB LEU A 464 -5.497 9.648 -3.958 1.00 40.42 C ATOM 258 CG LEU A 464 -6.199 8.571 -3.163 1.00 35.11 C ATOM 259 CD1 LEU A 464 -5.313 8.048 -2.054 1.00 72.23 C ATOM 260 CD2 LEU A 464 -7.561 9.031 -2.607 1.00 12.41 C ATOM 0 H LEU A 464 -5.458 8.843 -6.551 1.00 2.44 H new ATOM 0 HA LEU A 464 -7.232 10.522 -4.873 1.00 54.54 H new ATOM 0 HB2 LEU A 464 -4.537 9.254 -4.291 1.00 40.42 H new ATOM 0 HB3 LEU A 464 -5.285 10.481 -3.288 1.00 40.42 H new ATOM 0 HG LEU A 464 -6.403 7.757 -3.858 1.00 35.11 H new ATOM 0 HD11 LEU A 464 -5.844 7.275 -1.499 1.00 72.23 H new ATOM 0 HD12 LEU A 464 -4.403 7.628 -2.483 1.00 72.23 H new ATOM 0 HD13 LEU A 464 -5.053 8.865 -1.380 1.00 72.23 H new ATOM 0 HD21 LEU A 464 -8.019 8.217 -2.045 1.00 12.41 H new ATOM 0 HD22 LEU A 464 -7.415 9.888 -1.950 1.00 12.41 H new ATOM 0 HD23 LEU A 464 -8.214 9.314 -3.432 1.00 12.41 H new ATOM 272 N LYS A 465 -5.972 12.572 -5.474 1.00 43.40 N ATOM 273 CA LYS A 465 -5.376 13.744 -5.976 1.00 31.53 C ATOM 274 C LYS A 465 -4.555 14.472 -4.934 1.00 11.12 C ATOM 275 O LYS A 465 -5.006 14.756 -3.812 1.00 32.42 O ATOM 276 CB LYS A 465 -6.397 14.659 -6.591 1.00 14.52 C ATOM 277 CG LYS A 465 -7.562 14.981 -5.681 1.00 4.53 C ATOM 278 CD LYS A 465 -8.463 16.016 -6.288 1.00 34.41 C ATOM 279 CE LYS A 465 -7.699 17.292 -6.492 1.00 72.33 C ATOM 280 NZ LYS A 465 -8.538 18.372 -7.038 1.00 65.54 N ATOM 0 H LYS A 465 -6.784 12.735 -4.879 1.00 43.40 H new ATOM 0 HA LYS A 465 -4.686 13.427 -6.759 1.00 31.53 H new ATOM 0 HB2 LYS A 465 -5.908 15.589 -6.881 1.00 14.52 H new ATOM 0 HB3 LYS A 465 -6.778 14.201 -7.504 1.00 14.52 H new ATOM 0 HG2 LYS A 465 -8.131 14.073 -5.482 1.00 4.53 H new ATOM 0 HG3 LYS A 465 -7.188 15.340 -4.722 1.00 4.53 H new ATOM 0 HD2 LYS A 465 -8.854 15.658 -7.240 1.00 34.41 H new ATOM 0 HD3 LYS A 465 -9.320 16.193 -5.638 1.00 34.41 H new ATOM 0 HE2 LYS A 465 -7.274 17.613 -5.541 1.00 72.33 H new ATOM 0 HE3 LYS A 465 -6.865 17.108 -7.169 1.00 72.33 H new ATOM 0 HZ1 LYS A 465 -7.963 19.230 -7.160 1.00 65.54 H new ATOM 0 HZ2 LYS A 465 -8.924 18.080 -7.959 1.00 65.54 H new ATOM 0 HZ3 LYS A 465 -9.320 18.570 -6.382 1.00 65.54 H new ATOM 294 N LYS A 466 -3.360 14.737 -5.332 1.00 75.13 N ATOM 295 CA LYS A 466 -2.343 15.444 -4.571 1.00 53.25 C ATOM 296 C LYS A 466 -2.819 16.805 -4.035 1.00 53.21 C ATOM 297 O LYS A 466 -3.142 17.712 -4.802 1.00 31.33 O ATOM 298 CB LYS A 466 -1.099 15.641 -5.462 1.00 21.32 C ATOM 299 CG LYS A 466 0.051 16.419 -4.815 1.00 71.22 C ATOM 300 CD LYS A 466 1.253 16.557 -5.762 1.00 1.01 C ATOM 301 CE LYS A 466 0.926 17.352 -7.038 1.00 64.32 C ATOM 302 NZ LYS A 466 0.587 18.764 -6.759 1.00 52.32 N ATOM 0 H LYS A 466 -3.028 14.455 -6.254 1.00 75.13 H new ATOM 0 HA LYS A 466 -2.108 14.834 -3.699 1.00 53.25 H new ATOM 0 HB2 LYS A 466 -0.729 14.661 -5.763 1.00 21.32 H new ATOM 0 HB3 LYS A 466 -1.402 16.161 -6.371 1.00 21.32 H new ATOM 0 HG2 LYS A 466 -0.299 17.410 -4.525 1.00 71.22 H new ATOM 0 HG3 LYS A 466 0.364 15.912 -3.902 1.00 71.22 H new ATOM 0 HD2 LYS A 466 2.070 17.049 -5.234 1.00 1.01 H new ATOM 0 HD3 LYS A 466 1.605 15.564 -6.040 1.00 1.01 H new ATOM 0 HE2 LYS A 466 1.781 17.314 -7.714 1.00 64.32 H new ATOM 0 HE3 LYS A 466 0.091 16.877 -7.553 1.00 64.32 H new ATOM 0 HZ1 LYS A 466 0.409 19.262 -7.655 1.00 52.32 H new ATOM 0 HZ2 LYS A 466 -0.265 18.805 -6.164 1.00 52.32 H new ATOM 0 HZ3 LYS A 466 1.379 19.219 -6.262 1.00 52.32 H new ATOM 316 N GLY A 467 -2.886 16.905 -2.726 1.00 40.31 N ATOM 317 CA GLY A 467 -3.149 18.167 -2.071 1.00 53.45 C ATOM 318 C GLY A 467 -1.841 18.788 -1.596 1.00 23.42 C ATOM 319 O GLY A 467 -0.837 18.719 -2.304 1.00 73.54 O ATOM 0 H GLY A 467 -2.761 16.119 -2.089 1.00 40.31 H new ATOM 0 HA2 GLY A 467 -3.655 18.845 -2.759 1.00 53.45 H new ATOM 0 HA3 GLY A 467 -3.818 18.014 -1.224 1.00 53.45 H new ATOM 323 N THR A 468 -1.837 19.366 -0.409 1.00 15.25 N ATOM 324 CA THR A 468 -0.629 19.966 0.153 1.00 24.11 C ATOM 325 C THR A 468 0.384 18.862 0.501 1.00 75.55 C ATOM 326 O THR A 468 1.556 18.916 0.119 1.00 52.33 O ATOM 327 CB THR A 468 -0.974 20.776 1.419 1.00 3.34 C ATOM 328 OG1 THR A 468 -2.024 21.709 1.108 1.00 41.33 O ATOM 329 CG2 THR A 468 0.245 21.541 1.926 1.00 65.53 C ATOM 0 H THR A 468 -2.659 19.436 0.191 1.00 15.25 H new ATOM 0 HA THR A 468 -0.192 20.638 -0.586 1.00 24.11 H new ATOM 0 HB THR A 468 -1.298 20.086 2.198 1.00 3.34 H new ATOM 0 HG1 THR A 468 -2.250 22.226 1.909 1.00 41.33 H new ATOM 0 HG21 THR A 468 -0.025 22.104 2.819 1.00 65.53 H new ATOM 0 HG22 THR A 468 1.042 20.837 2.167 1.00 65.53 H new ATOM 0 HG23 THR A 468 0.590 22.229 1.154 1.00 65.53 H new ATOM 337 N GLU A 469 -0.092 17.858 1.201 1.00 21.23 N ATOM 338 CA GLU A 469 0.693 16.718 1.567 1.00 72.44 C ATOM 339 C GLU A 469 0.018 15.536 0.953 1.00 40.23 C ATOM 340 O GLU A 469 -0.331 14.566 1.639 1.00 5.43 O ATOM 341 CB GLU A 469 0.755 16.597 3.085 1.00 12.23 C ATOM 342 CG GLU A 469 1.465 17.756 3.751 1.00 3.34 C ATOM 343 CD GLU A 469 1.490 17.634 5.244 1.00 74.25 C ATOM 344 OE1 GLU A 469 2.312 16.860 5.776 1.00 42.34 O ATOM 345 OE2 GLU A 469 0.701 18.329 5.913 1.00 32.41 O ATOM 0 H GLU A 469 -1.055 17.817 1.535 1.00 21.23 H new ATOM 0 HA GLU A 469 1.721 16.798 1.214 1.00 72.44 H new ATOM 0 HB2 GLU A 469 -0.259 16.527 3.478 1.00 12.23 H new ATOM 0 HB3 GLU A 469 1.263 15.669 3.348 1.00 12.23 H new ATOM 0 HG2 GLU A 469 2.487 17.814 3.378 1.00 3.34 H new ATOM 0 HG3 GLU A 469 0.971 18.687 3.474 1.00 3.34 H new ATOM 352 N GLY A 470 -0.140 15.643 -0.369 1.00 63.33 N ATOM 353 CA GLY A 470 -0.901 14.728 -1.170 1.00 10.45 C ATOM 354 C GLY A 470 -0.726 13.300 -0.830 1.00 62.21 C ATOM 355 O GLY A 470 -1.649 12.676 -0.384 1.00 11.41 O ATOM 0 H GLY A 470 0.278 16.398 -0.912 1.00 63.33 H new ATOM 0 HA2 GLY A 470 -1.957 14.980 -1.077 1.00 10.45 H new ATOM 0 HA3 GLY A 470 -0.629 14.872 -2.216 1.00 10.45 H new ATOM 359 N LEU A 471 0.415 12.758 -0.978 1.00 14.21 N ATOM 360 CA LEU A 471 0.494 11.372 -0.688 1.00 10.24 C ATOM 361 C LEU A 471 0.729 11.134 0.780 1.00 44.44 C ATOM 362 O LEU A 471 1.854 10.985 1.256 1.00 35.44 O ATOM 363 CB LEU A 471 1.415 10.620 -1.622 1.00 73.13 C ATOM 364 CG LEU A 471 1.089 10.833 -3.109 1.00 43.15 C ATOM 365 CD1 LEU A 471 1.966 10.000 -3.967 1.00 72.04 C ATOM 366 CD2 LEU A 471 -0.379 10.547 -3.410 1.00 53.24 C ATOM 0 H LEU A 471 1.274 13.217 -1.282 1.00 14.21 H new ATOM 0 HA LEU A 471 -0.480 10.930 -0.898 1.00 10.24 H new ATOM 0 HB2 LEU A 471 2.442 10.932 -1.435 1.00 73.13 H new ATOM 0 HB3 LEU A 471 1.359 9.555 -1.395 1.00 73.13 H new ATOM 0 HG LEU A 471 1.277 11.883 -3.335 1.00 43.15 H new ATOM 0 HD11 LEU A 471 1.716 10.168 -5.015 1.00 72.04 H new ATOM 0 HD12 LEU A 471 3.008 10.271 -3.794 1.00 72.04 H new ATOM 0 HD13 LEU A 471 1.820 8.948 -3.724 1.00 72.04 H new ATOM 0 HD21 LEU A 471 -0.571 10.708 -4.471 1.00 53.24 H new ATOM 0 HD22 LEU A 471 -0.608 9.513 -3.153 1.00 53.24 H new ATOM 0 HD23 LEU A 471 -1.008 11.215 -2.822 1.00 53.24 H new ATOM 378 N GLY A 472 -0.382 11.185 1.498 1.00 65.11 N ATOM 379 CA GLY A 472 -0.416 11.038 2.914 1.00 32.14 C ATOM 380 C GLY A 472 -0.724 9.642 3.318 1.00 65.20 C ATOM 381 O GLY A 472 -1.495 9.407 4.215 1.00 63.14 O ATOM 0 H GLY A 472 -1.302 11.335 1.084 1.00 65.11 H new ATOM 0 HA2 GLY A 472 0.546 11.334 3.333 1.00 32.14 H new ATOM 0 HA3 GLY A 472 -1.166 11.711 3.331 1.00 32.14 H new ATOM 385 N PHE A 473 -0.165 8.742 2.629 1.00 14.50 N ATOM 386 CA PHE A 473 -0.236 7.371 2.947 1.00 41.43 C ATOM 387 C PHE A 473 1.114 6.781 2.758 1.00 62.53 C ATOM 388 O PHE A 473 1.855 7.187 1.871 1.00 74.14 O ATOM 389 CB PHE A 473 -1.323 6.644 2.143 1.00 51.34 C ATOM 390 CG PHE A 473 -1.235 6.787 0.654 1.00 61.24 C ATOM 391 CD1 PHE A 473 -1.751 7.912 0.032 1.00 53.03 C ATOM 392 CD2 PHE A 473 -0.664 5.797 -0.128 1.00 13.44 C ATOM 393 CE1 PHE A 473 -1.695 8.054 -1.328 1.00 52.04 C ATOM 394 CE2 PHE A 473 -0.610 5.936 -1.495 1.00 4.31 C ATOM 395 CZ PHE A 473 -1.126 7.069 -2.095 1.00 62.33 C ATOM 0 H PHE A 473 0.380 8.940 1.790 1.00 14.50 H new ATOM 0 HA PHE A 473 -0.534 7.250 3.988 1.00 41.43 H new ATOM 0 HB2 PHE A 473 -1.284 5.583 2.391 1.00 51.34 H new ATOM 0 HB3 PHE A 473 -2.296 7.011 2.468 1.00 51.34 H new ATOM 0 HD1 PHE A 473 -2.204 8.689 0.629 1.00 53.03 H new ATOM 0 HD2 PHE A 473 -0.259 4.911 0.338 1.00 13.44 H new ATOM 0 HE1 PHE A 473 -2.098 8.940 -1.797 1.00 52.04 H new ATOM 0 HE2 PHE A 473 -0.164 5.160 -2.100 1.00 4.31 H new ATOM 0 HZ PHE A 473 -1.081 7.179 -3.168 1.00 62.33 H new ATOM 405 N SER A 474 1.466 5.894 3.609 1.00 42.31 N ATOM 406 CA SER A 474 2.749 5.296 3.556 1.00 4.54 C ATOM 407 C SER A 474 2.628 3.799 3.668 1.00 65.01 C ATOM 408 O SER A 474 1.670 3.284 4.257 1.00 1.31 O ATOM 409 CB SER A 474 3.639 5.898 4.637 1.00 10.42 C ATOM 410 OG SER A 474 3.736 7.310 4.445 1.00 11.32 O ATOM 0 H SER A 474 0.871 5.559 4.367 1.00 42.31 H new ATOM 0 HA SER A 474 3.220 5.503 2.595 1.00 4.54 H new ATOM 0 HB2 SER A 474 3.228 5.682 5.623 1.00 10.42 H new ATOM 0 HB3 SER A 474 4.630 5.447 4.599 1.00 10.42 H new ATOM 0 HG SER A 474 4.307 7.696 5.141 1.00 11.32 H new ATOM 416 N ILE A 475 3.574 3.118 3.107 1.00 35.34 N ATOM 417 CA ILE A 475 3.559 1.684 3.001 1.00 13.41 C ATOM 418 C ILE A 475 4.584 1.026 3.896 1.00 3.22 C ATOM 419 O ILE A 475 5.537 1.661 4.347 1.00 11.21 O ATOM 420 CB ILE A 475 3.828 1.255 1.550 1.00 72.40 C ATOM 421 CG1 ILE A 475 5.012 2.062 0.978 1.00 24.42 C ATOM 422 CG2 ILE A 475 2.569 1.371 0.688 1.00 3.40 C ATOM 423 CD1 ILE A 475 5.447 1.647 -0.396 1.00 12.20 C ATOM 0 H ILE A 475 4.403 3.549 2.697 1.00 35.34 H new ATOM 0 HA ILE A 475 2.569 1.360 3.320 1.00 13.41 H new ATOM 0 HB ILE A 475 4.105 0.201 1.538 1.00 72.40 H new ATOM 0 HG12 ILE A 475 4.738 3.117 0.955 1.00 24.42 H new ATOM 0 HG13 ILE A 475 5.860 1.968 1.657 1.00 24.42 H new ATOM 0 HG21 ILE A 475 2.796 1.060 -0.332 1.00 3.40 H new ATOM 0 HG22 ILE A 475 1.788 0.731 1.097 1.00 3.40 H new ATOM 0 HG23 ILE A 475 2.225 2.405 0.683 1.00 3.40 H new ATOM 0 HD11 ILE A 475 6.283 2.268 -0.716 1.00 12.20 H new ATOM 0 HD12 ILE A 475 5.757 0.602 -0.379 1.00 12.20 H new ATOM 0 HD13 ILE A 475 4.617 1.768 -1.092 1.00 12.20 H new ATOM 435 N THR A 476 4.372 -0.234 4.147 1.00 42.15 N ATOM 436 CA THR A 476 5.272 -1.027 4.923 1.00 73.03 C ATOM 437 C THR A 476 5.235 -2.460 4.384 1.00 54.21 C ATOM 438 O THR A 476 4.290 -2.836 3.666 1.00 41.24 O ATOM 439 CB THR A 476 4.848 -1.028 6.425 1.00 54.44 C ATOM 440 OG1 THR A 476 5.829 -1.709 7.222 1.00 34.34 O ATOM 441 CG2 THR A 476 3.491 -1.716 6.604 1.00 2.31 C ATOM 0 H THR A 476 3.555 -0.744 3.811 1.00 42.15 H new ATOM 0 HA THR A 476 6.278 -0.613 4.850 1.00 73.03 H new ATOM 0 HB THR A 476 4.770 0.009 6.751 1.00 54.44 H new ATOM 0 HG1 THR A 476 5.551 -1.700 8.162 1.00 34.34 H new ATOM 0 HG21 THR A 476 3.214 -1.706 7.658 1.00 2.31 H new ATOM 0 HG22 THR A 476 2.735 -1.186 6.025 1.00 2.31 H new ATOM 0 HG23 THR A 476 3.557 -2.747 6.256 1.00 2.31 H new ATOM 449 N SER A 477 6.255 -3.215 4.661 1.00 4.03 N ATOM 450 CA SER A 477 6.280 -4.607 4.341 1.00 0.32 C ATOM 451 C SER A 477 6.882 -5.344 5.510 1.00 73.13 C ATOM 452 O SER A 477 7.926 -4.934 6.045 1.00 64.11 O ATOM 453 CB SER A 477 7.087 -4.865 3.056 1.00 64.35 C ATOM 454 OG SER A 477 8.404 -4.364 3.173 1.00 75.11 O ATOM 0 H SER A 477 7.101 -2.877 5.120 1.00 4.03 H new ATOM 0 HA SER A 477 5.266 -4.963 4.157 1.00 0.32 H new ATOM 0 HB2 SER A 477 7.119 -5.935 2.851 1.00 64.35 H new ATOM 0 HB3 SER A 477 6.589 -4.393 2.209 1.00 64.35 H new ATOM 0 HG SER A 477 8.896 -4.542 2.345 1.00 75.11 H new ATOM 580 N PRO A 487 4.422 -8.845 0.933 1.00 54.44 N ATOM 581 CA PRO A 487 3.400 -7.955 0.452 1.00 35.13 C ATOM 582 C PRO A 487 3.580 -6.531 0.963 1.00 64.41 C ATOM 583 O PRO A 487 4.161 -6.298 2.034 1.00 11.44 O ATOM 584 CB PRO A 487 2.098 -8.558 0.995 1.00 11.03 C ATOM 585 CG PRO A 487 2.500 -9.589 2.013 1.00 30.23 C ATOM 586 CD PRO A 487 3.993 -9.524 2.160 1.00 11.41 C ATOM 0 HA PRO A 487 3.421 -7.873 -0.635 1.00 35.13 H new ATOM 0 HB2 PRO A 487 1.473 -7.788 1.448 1.00 11.03 H new ATOM 0 HB3 PRO A 487 1.515 -9.011 0.193 1.00 11.03 H new ATOM 0 HG2 PRO A 487 2.012 -9.394 2.968 1.00 30.23 H new ATOM 0 HG3 PRO A 487 2.190 -10.584 1.694 1.00 30.23 H new ATOM 0 HD2 PRO A 487 4.286 -8.969 3.051 1.00 11.41 H new ATOM 0 HD3 PRO A 487 4.433 -10.518 2.245 1.00 11.41 H new ATOM 594 N ILE A 488 3.087 -5.597 0.199 1.00 33.42 N ATOM 595 CA ILE A 488 3.174 -4.206 0.530 1.00 43.15 C ATOM 596 C ILE A 488 1.847 -3.790 1.172 1.00 63.54 C ATOM 597 O ILE A 488 0.790 -3.995 0.591 1.00 11.12 O ATOM 598 CB ILE A 488 3.410 -3.364 -0.756 1.00 23.23 C ATOM 599 CG1 ILE A 488 4.631 -3.886 -1.567 1.00 3.45 C ATOM 600 CG2 ILE A 488 3.576 -1.890 -0.426 1.00 5.40 C ATOM 601 CD1 ILE A 488 5.955 -3.885 -0.826 1.00 5.24 C ATOM 0 H ILE A 488 2.608 -5.785 -0.682 1.00 33.42 H new ATOM 0 HA ILE A 488 4.005 -4.037 1.215 1.00 43.15 H new ATOM 0 HB ILE A 488 2.524 -3.475 -1.380 1.00 23.23 H new ATOM 0 HG12 ILE A 488 4.419 -4.903 -1.895 1.00 3.45 H new ATOM 0 HG13 ILE A 488 4.736 -3.277 -2.465 1.00 3.45 H new ATOM 0 HG21 ILE A 488 3.739 -1.328 -1.345 1.00 5.40 H new ATOM 0 HG22 ILE A 488 2.676 -1.524 0.068 1.00 5.40 H new ATOM 0 HG23 ILE A 488 4.432 -1.760 0.236 1.00 5.40 H new ATOM 0 HD11 ILE A 488 6.739 -4.267 -1.480 1.00 5.24 H new ATOM 0 HD12 ILE A 488 6.201 -2.868 -0.521 1.00 5.24 H new ATOM 0 HD13 ILE A 488 5.878 -4.520 0.057 1.00 5.24 H new ATOM 613 N TYR A 489 1.899 -3.233 2.347 1.00 14.14 N ATOM 614 CA TYR A 489 0.692 -2.844 3.055 1.00 65.11 C ATOM 615 C TYR A 489 0.664 -1.373 3.298 1.00 11.43 C ATOM 616 O TYR A 489 1.716 -0.743 3.425 1.00 42.13 O ATOM 617 CB TYR A 489 0.563 -3.577 4.401 1.00 34.32 C ATOM 618 CG TYR A 489 0.344 -5.059 4.282 1.00 35.10 C ATOM 619 CD1 TYR A 489 -0.825 -5.536 3.743 1.00 74.01 C ATOM 620 CD2 TYR A 489 1.299 -5.977 4.701 1.00 43.42 C ATOM 621 CE1 TYR A 489 -1.061 -6.874 3.612 1.00 11.11 C ATOM 622 CE2 TYR A 489 1.071 -7.337 4.578 1.00 51.25 C ATOM 623 CZ TYR A 489 -0.117 -7.777 4.027 1.00 42.42 C ATOM 624 OH TYR A 489 -0.361 -9.129 3.895 1.00 24.34 O ATOM 0 H TYR A 489 2.766 -3.033 2.846 1.00 14.14 H new ATOM 0 HA TYR A 489 -0.148 -3.123 2.420 1.00 65.11 H new ATOM 0 HB2 TYR A 489 1.467 -3.401 4.985 1.00 34.32 H new ATOM 0 HB3 TYR A 489 -0.267 -3.143 4.959 1.00 34.32 H new ATOM 0 HD1 TYR A 489 -1.577 -4.834 3.414 1.00 74.01 H new ATOM 0 HD2 TYR A 489 2.228 -5.626 5.127 1.00 43.42 H new ATOM 0 HE1 TYR A 489 -1.989 -7.220 3.182 1.00 11.11 H new ATOM 0 HE2 TYR A 489 1.814 -8.047 4.909 1.00 51.25 H new ATOM 0 HH TYR A 489 -0.943 -9.282 3.122 1.00 24.34 H new ATOM 634 N VAL A 490 -0.524 -0.814 3.351 1.00 62.14 N ATOM 635 CA VAL A 490 -0.666 0.572 3.691 1.00 62.33 C ATOM 636 C VAL A 490 -0.584 0.656 5.199 1.00 44.43 C ATOM 637 O VAL A 490 -1.401 0.053 5.911 1.00 21.11 O ATOM 638 CB VAL A 490 -2.016 1.160 3.210 1.00 35.43 C ATOM 639 CG1 VAL A 490 -2.089 2.654 3.498 1.00 12.13 C ATOM 640 CG2 VAL A 490 -2.241 0.881 1.731 1.00 12.31 C ATOM 0 H VAL A 490 -1.400 -1.301 3.163 1.00 62.14 H new ATOM 0 HA VAL A 490 0.117 1.151 3.201 1.00 62.33 H new ATOM 0 HB VAL A 490 -2.813 0.667 3.767 1.00 35.43 H new ATOM 0 HG11 VAL A 490 -3.046 3.045 3.152 1.00 12.13 H new ATOM 0 HG12 VAL A 490 -1.995 2.823 4.571 1.00 12.13 H new ATOM 0 HG13 VAL A 490 -1.279 3.165 2.978 1.00 12.13 H new ATOM 0 HG21 VAL A 490 -3.196 1.305 1.422 1.00 12.31 H new ATOM 0 HG22 VAL A 490 -1.438 1.333 1.149 1.00 12.31 H new ATOM 0 HG23 VAL A 490 -2.250 -0.196 1.561 1.00 12.31 H new ATOM 650 N LYS A 491 0.386 1.368 5.675 1.00 61.42 N ATOM 651 CA LYS A 491 0.659 1.444 7.082 1.00 12.14 C ATOM 652 C LYS A 491 -0.067 2.585 7.720 1.00 5.03 C ATOM 653 O LYS A 491 -0.791 2.408 8.692 1.00 12.04 O ATOM 654 CB LYS A 491 2.162 1.634 7.313 1.00 12.22 C ATOM 655 CG LYS A 491 2.582 1.710 8.735 1.00 41.22 C ATOM 656 CD LYS A 491 2.249 0.425 9.430 1.00 12.22 C ATOM 657 CE LYS A 491 2.916 0.376 10.733 1.00 22.32 C ATOM 658 NZ LYS A 491 2.693 -0.905 11.428 1.00 11.21 N ATOM 0 H LYS A 491 1.019 1.920 5.096 1.00 61.42 H new ATOM 0 HA LYS A 491 0.318 0.512 7.532 1.00 12.14 H new ATOM 0 HB2 LYS A 491 2.693 0.809 6.838 1.00 12.22 H new ATOM 0 HB3 LYS A 491 2.477 2.548 6.809 1.00 12.22 H new ATOM 0 HG2 LYS A 491 3.653 1.902 8.798 1.00 41.22 H new ATOM 0 HG3 LYS A 491 2.080 2.542 9.228 1.00 41.22 H new ATOM 0 HD2 LYS A 491 1.170 0.341 9.561 1.00 12.22 H new ATOM 0 HD3 LYS A 491 2.563 -0.421 8.819 1.00 12.22 H new ATOM 0 HE2 LYS A 491 3.986 0.531 10.597 1.00 22.32 H new ATOM 0 HE3 LYS A 491 2.552 1.193 11.356 1.00 22.32 H new ATOM 0 HZ1 LYS A 491 3.184 -0.893 12.345 1.00 11.21 H new ATOM 0 HZ2 LYS A 491 1.674 -1.043 11.583 1.00 11.21 H new ATOM 0 HZ3 LYS A 491 3.064 -1.684 10.847 1.00 11.21 H new ATOM 672 N ASN A 492 0.121 3.742 7.178 1.00 3.25 N ATOM 673 CA ASN A 492 -0.385 4.931 7.824 1.00 2.55 C ATOM 674 C ASN A 492 -1.100 5.815 6.846 1.00 53.23 C ATOM 675 O ASN A 492 -0.701 5.921 5.676 1.00 31.42 O ATOM 676 CB ASN A 492 0.772 5.707 8.435 1.00 3.13 C ATOM 677 CG ASN A 492 0.343 6.804 9.403 1.00 74.44 C ATOM 678 OD1 ASN A 492 0.199 6.566 10.589 1.00 74.21 O ATOM 679 ND2 ASN A 492 0.168 8.000 8.910 1.00 42.41 N ATOM 0 H ASN A 492 0.614 3.901 6.299 1.00 3.25 H new ATOM 0 HA ASN A 492 -1.088 4.624 8.598 1.00 2.55 H new ATOM 0 HB2 ASN A 492 1.426 5.010 8.959 1.00 3.13 H new ATOM 0 HB3 ASN A 492 1.359 6.154 7.633 1.00 3.13 H new ATOM 0 HD21 ASN A 492 -0.098 8.771 9.523 1.00 42.41 H new ATOM 0 HD22 ASN A 492 0.297 8.164 7.912 1.00 42.41 H new ATOM 686 N ILE A 493 -2.129 6.445 7.326 1.00 71.31 N ATOM 687 CA ILE A 493 -2.923 7.384 6.577 1.00 71.22 C ATOM 688 C ILE A 493 -2.900 8.728 7.298 1.00 71.52 C ATOM 689 O ILE A 493 -3.515 8.897 8.365 1.00 65.40 O ATOM 690 CB ILE A 493 -4.390 6.861 6.440 1.00 44.21 C ATOM 691 CG1 ILE A 493 -4.434 5.599 5.596 1.00 4.43 C ATOM 692 CG2 ILE A 493 -5.352 7.900 5.881 1.00 50.25 C ATOM 693 CD1 ILE A 493 -4.051 5.782 4.149 1.00 4.04 C ATOM 0 H ILE A 493 -2.454 6.318 8.284 1.00 71.31 H new ATOM 0 HA ILE A 493 -2.511 7.501 5.575 1.00 71.22 H new ATOM 0 HB ILE A 493 -4.726 6.635 7.452 1.00 44.21 H new ATOM 0 HG12 ILE A 493 -3.768 4.860 6.041 1.00 4.43 H new ATOM 0 HG13 ILE A 493 -5.442 5.187 5.639 1.00 4.43 H new ATOM 0 HG21 ILE A 493 -6.352 7.471 5.812 1.00 50.25 H new ATOM 0 HG22 ILE A 493 -5.374 8.767 6.541 1.00 50.25 H new ATOM 0 HG23 ILE A 493 -5.020 8.207 4.889 1.00 50.25 H new ATOM 0 HD11 ILE A 493 -4.114 4.824 3.632 1.00 4.04 H new ATOM 0 HD12 ILE A 493 -4.731 6.493 3.680 1.00 4.04 H new ATOM 0 HD13 ILE A 493 -3.031 6.161 4.088 1.00 4.04 H new ATOM 705 N LEU A 494 -2.125 9.642 6.757 1.00 24.10 N ATOM 706 CA LEU A 494 -2.044 10.999 7.262 1.00 21.10 C ATOM 707 C LEU A 494 -3.403 11.689 7.127 1.00 22.30 C ATOM 708 O LEU A 494 -3.975 11.752 6.028 1.00 23.22 O ATOM 709 CB LEU A 494 -0.936 11.838 6.557 1.00 2.31 C ATOM 710 CG LEU A 494 0.553 11.480 6.842 1.00 52.11 C ATOM 711 CD1 LEU A 494 0.929 10.093 6.353 1.00 44.05 C ATOM 712 CD2 LEU A 494 1.471 12.523 6.229 1.00 11.32 C ATOM 0 H LEU A 494 -1.528 9.465 5.949 1.00 24.10 H new ATOM 0 HA LEU A 494 -1.768 10.936 8.315 1.00 21.10 H new ATOM 0 HB2 LEU A 494 -1.096 11.764 5.481 1.00 2.31 H new ATOM 0 HB3 LEU A 494 -1.085 12.883 6.830 1.00 2.31 H new ATOM 0 HG LEU A 494 0.677 11.477 7.925 1.00 52.11 H new ATOM 0 HD11 LEU A 494 1.978 9.899 6.579 1.00 44.05 H new ATOM 0 HD12 LEU A 494 0.307 9.350 6.852 1.00 44.05 H new ATOM 0 HD13 LEU A 494 0.773 10.032 5.276 1.00 44.05 H new ATOM 0 HD21 LEU A 494 2.509 12.261 6.436 1.00 11.32 H new ATOM 0 HD22 LEU A 494 1.313 12.558 5.151 1.00 11.32 H new ATOM 0 HD23 LEU A 494 1.251 13.500 6.660 1.00 11.32 H new ATOM 724 N PRO A 495 -3.893 12.260 8.232 1.00 1.53 N ATOM 725 CA PRO A 495 -5.272 12.864 8.367 1.00 12.41 C ATOM 726 C PRO A 495 -5.454 14.167 7.607 1.00 64.24 C ATOM 727 O PRO A 495 -6.267 15.012 7.991 1.00 10.42 O ATOM 728 CB PRO A 495 -5.292 13.190 9.852 1.00 50.22 C ATOM 729 CG PRO A 495 -3.882 13.510 10.140 1.00 1.23 C ATOM 730 CD PRO A 495 -3.137 12.415 9.493 1.00 64.43 C ATOM 0 HA PRO A 495 -6.044 12.198 7.983 1.00 12.41 H new ATOM 0 HB2 PRO A 495 -5.950 14.031 10.072 1.00 50.22 H new ATOM 0 HB3 PRO A 495 -5.644 12.346 10.446 1.00 50.22 H new ATOM 0 HG2 PRO A 495 -3.600 14.481 9.733 1.00 1.23 H new ATOM 0 HG3 PRO A 495 -3.690 13.546 11.212 1.00 1.23 H new ATOM 0 HD2 PRO A 495 -2.093 12.675 9.318 1.00 64.43 H new ATOM 0 HD3 PRO A 495 -3.143 11.504 10.091 1.00 64.43 H new ATOM 738 N ARG A 496 -4.756 14.317 6.527 1.00 71.32 N ATOM 739 CA ARG A 496 -4.760 15.576 5.833 1.00 22.11 C ATOM 740 C ARG A 496 -4.319 15.478 4.368 1.00 33.20 C ATOM 741 O ARG A 496 -4.425 16.445 3.625 1.00 12.32 O ATOM 742 CB ARG A 496 -3.865 16.517 6.573 1.00 32.22 C ATOM 743 CG ARG A 496 -2.488 15.901 6.807 1.00 72.43 C ATOM 744 CD ARG A 496 -1.511 16.845 7.448 1.00 22.54 C ATOM 745 NE ARG A 496 -1.889 17.275 8.787 1.00 51.44 N ATOM 746 CZ ARG A 496 -1.148 18.107 9.515 1.00 12.22 C ATOM 747 NH1 ARG A 496 -0.032 18.621 8.999 1.00 21.12 N ATOM 748 NH2 ARG A 496 -1.522 18.428 10.745 1.00 23.05 N ATOM 0 H ARG A 496 -4.177 13.591 6.104 1.00 71.32 H new ATOM 0 HA ARG A 496 -5.789 15.935 5.807 1.00 22.11 H new ATOM 0 HB2 ARG A 496 -3.761 17.443 6.008 1.00 32.22 H new ATOM 0 HB3 ARG A 496 -4.318 16.776 7.530 1.00 32.22 H new ATOM 0 HG2 ARG A 496 -2.596 15.019 7.438 1.00 72.43 H new ATOM 0 HG3 ARG A 496 -2.083 15.563 5.853 1.00 72.43 H new ATOM 0 HD2 ARG A 496 -0.534 16.363 7.495 1.00 22.54 H new ATOM 0 HD3 ARG A 496 -1.402 17.724 6.813 1.00 22.54 H new ATOM 0 HE ARG A 496 -2.760 16.923 9.184 1.00 51.44 H new ATOM 0 HH11 ARG A 496 0.251 18.376 8.050 1.00 21.12 H new ATOM 0 HH12 ARG A 496 0.539 19.259 9.553 1.00 21.12 H new ATOM 0 HH21 ARG A 496 -2.379 18.037 11.136 1.00 23.05 H new ATOM 0 HH22 ARG A 496 -0.953 19.066 11.301 1.00 23.05 H new ATOM 762 N GLY A 497 -3.827 14.337 3.963 1.00 23.43 N ATOM 763 CA GLY A 497 -3.354 14.206 2.574 1.00 53.54 C ATOM 764 C GLY A 497 -4.431 13.702 1.608 1.00 24.41 C ATOM 765 O GLY A 497 -5.604 13.773 1.906 1.00 65.34 O ATOM 0 H GLY A 497 -3.737 13.500 4.538 1.00 23.43 H new ATOM 0 HA2 GLY A 497 -2.992 15.174 2.229 1.00 53.54 H new ATOM 0 HA3 GLY A 497 -2.506 13.521 2.550 1.00 53.54 H new ATOM 769 N ALA A 498 -4.018 13.161 0.465 1.00 51.33 N ATOM 770 CA ALA A 498 -4.932 12.735 -0.599 1.00 73.12 C ATOM 771 C ALA A 498 -5.854 11.612 -0.168 1.00 4.22 C ATOM 772 O ALA A 498 -7.002 11.547 -0.609 1.00 22.15 O ATOM 773 CB ALA A 498 -4.170 12.328 -1.851 1.00 72.34 C ATOM 0 H ALA A 498 -3.034 13.003 0.246 1.00 51.33 H new ATOM 0 HA ALA A 498 -5.554 13.601 -0.825 1.00 73.12 H new ATOM 0 HB1 ALA A 498 -4.876 12.017 -2.621 1.00 72.34 H new ATOM 0 HB2 ALA A 498 -3.587 13.175 -2.213 1.00 72.34 H new ATOM 0 HB3 ALA A 498 -3.501 11.500 -1.617 1.00 72.34 H new ATOM 779 N ALA A 499 -5.361 10.738 0.722 1.00 53.10 N ATOM 780 CA ALA A 499 -6.147 9.601 1.190 1.00 64.22 C ATOM 781 C ALA A 499 -7.463 10.065 1.807 1.00 50.51 C ATOM 782 O ALA A 499 -8.518 9.540 1.484 1.00 44.24 O ATOM 783 CB ALA A 499 -5.345 8.787 2.186 1.00 23.34 C ATOM 0 H ALA A 499 -4.427 10.801 1.126 1.00 53.10 H new ATOM 0 HA ALA A 499 -6.384 8.970 0.334 1.00 64.22 H new ATOM 0 HB1 ALA A 499 -5.941 7.941 2.529 1.00 23.34 H new ATOM 0 HB2 ALA A 499 -4.436 8.421 1.709 1.00 23.34 H new ATOM 0 HB3 ALA A 499 -5.080 9.413 3.038 1.00 23.34 H new ATOM 789 N ILE A 500 -7.375 11.043 2.686 1.00 61.15 N ATOM 790 CA ILE A 500 -8.535 11.667 3.323 1.00 3.20 C ATOM 791 C ILE A 500 -9.207 12.704 2.403 1.00 55.30 C ATOM 792 O ILE A 500 -10.414 12.914 2.468 1.00 43.44 O ATOM 793 CB ILE A 500 -8.137 12.314 4.662 1.00 72.43 C ATOM 794 CG1 ILE A 500 -9.300 13.056 5.313 1.00 22.24 C ATOM 795 CG2 ILE A 500 -6.952 13.213 4.498 1.00 75.03 C ATOM 796 CD1 ILE A 500 -8.911 13.744 6.584 1.00 34.15 C ATOM 0 H ILE A 500 -6.485 11.438 2.988 1.00 61.15 H new ATOM 0 HA ILE A 500 -9.262 10.878 3.515 1.00 3.20 H new ATOM 0 HB ILE A 500 -7.858 11.503 5.334 1.00 72.43 H new ATOM 0 HG12 ILE A 500 -9.693 13.793 4.612 1.00 22.24 H new ATOM 0 HG13 ILE A 500 -10.105 12.351 5.519 1.00 22.24 H new ATOM 0 HG21 ILE A 500 -6.695 13.655 5.461 1.00 75.03 H new ATOM 0 HG22 ILE A 500 -6.106 12.635 4.126 1.00 75.03 H new ATOM 0 HG23 ILE A 500 -7.191 14.004 3.788 1.00 75.03 H new ATOM 0 HD11 ILE A 500 -9.779 14.255 7.002 1.00 34.15 H new ATOM 0 HD12 ILE A 500 -8.545 13.007 7.299 1.00 34.15 H new ATOM 0 HD13 ILE A 500 -8.126 14.472 6.378 1.00 34.15 H new ATOM 808 N GLN A 501 -8.402 13.337 1.553 1.00 23.14 N ATOM 809 CA GLN A 501 -8.844 14.374 0.650 1.00 72.34 C ATOM 810 C GLN A 501 -9.943 13.814 -0.269 1.00 15.13 C ATOM 811 O GLN A 501 -10.969 14.455 -0.498 1.00 63.32 O ATOM 812 CB GLN A 501 -7.634 14.789 -0.163 1.00 12.55 C ATOM 813 CG GLN A 501 -7.607 16.202 -0.674 1.00 72.24 C ATOM 814 CD GLN A 501 -8.757 16.570 -1.564 1.00 60.24 C ATOM 815 OE1 GLN A 501 -9.781 17.071 -1.103 1.00 10.31 O ATOM 816 NE2 GLN A 501 -8.617 16.318 -2.825 1.00 33.24 N ATOM 0 H GLN A 501 -7.406 13.133 1.478 1.00 23.14 H new ATOM 0 HA GLN A 501 -9.256 15.228 1.188 1.00 72.34 H new ATOM 0 HB2 GLN A 501 -6.745 14.633 0.449 1.00 12.55 H new ATOM 0 HB3 GLN A 501 -7.554 14.118 -1.018 1.00 12.55 H new ATOM 0 HG2 GLN A 501 -7.593 16.882 0.178 1.00 72.24 H new ATOM 0 HG3 GLN A 501 -6.677 16.358 -1.221 1.00 72.24 H new ATOM 0 HE21 GLN A 501 -7.752 15.902 -3.169 1.00 33.24 H new ATOM 0 HE22 GLN A 501 -9.372 16.536 -3.475 1.00 33.24 H new ATOM 825 N ASP A 502 -9.719 12.631 -0.799 1.00 43.23 N ATOM 826 CA ASP A 502 -10.743 11.977 -1.607 1.00 34.14 C ATOM 827 C ASP A 502 -11.504 10.993 -0.761 1.00 65.40 C ATOM 828 O ASP A 502 -12.625 10.609 -1.088 1.00 12.52 O ATOM 829 CB ASP A 502 -10.184 11.300 -2.869 1.00 61.31 C ATOM 830 CG ASP A 502 -9.643 12.282 -3.891 1.00 53.43 C ATOM 831 OD1 ASP A 502 -10.465 12.926 -4.602 1.00 4.33 O ATOM 832 OD2 ASP A 502 -8.416 12.436 -3.995 1.00 11.22 O ATOM 0 H ASP A 502 -8.853 12.103 -0.692 1.00 43.23 H new ATOM 0 HA ASP A 502 -11.417 12.756 -1.963 1.00 34.14 H new ATOM 0 HB2 ASP A 502 -9.389 10.612 -2.581 1.00 61.31 H new ATOM 0 HB3 ASP A 502 -10.971 10.703 -3.331 1.00 61.31 H new ATOM 837 N GLY A 503 -10.880 10.580 0.336 1.00 53.53 N ATOM 838 CA GLY A 503 -11.529 9.722 1.291 1.00 73.24 C ATOM 839 C GLY A 503 -11.787 8.337 0.787 1.00 64.31 C ATOM 840 O GLY A 503 -12.794 7.726 1.126 1.00 11.11 O ATOM 0 H GLY A 503 -9.922 10.833 0.577 1.00 53.53 H new ATOM 0 HA2 GLY A 503 -10.913 9.662 2.188 1.00 73.24 H new ATOM 0 HA3 GLY A 503 -12.477 10.173 1.585 1.00 73.24 H new ATOM 844 N ARG A 504 -10.896 7.834 -0.003 1.00 70.20 N ATOM 845 CA ARG A 504 -11.079 6.527 -0.588 1.00 0.14 C ATOM 846 C ARG A 504 -10.141 5.490 0.026 1.00 62.43 C ATOM 847 O ARG A 504 -10.456 4.298 0.073 1.00 1.44 O ATOM 848 CB ARG A 504 -10.875 6.606 -2.094 1.00 52.13 C ATOM 849 CG ARG A 504 -11.894 7.466 -2.817 1.00 32.05 C ATOM 850 CD ARG A 504 -11.573 7.602 -4.300 1.00 60.22 C ATOM 851 NE ARG A 504 -12.626 8.332 -5.010 1.00 54.14 N ATOM 852 CZ ARG A 504 -12.476 9.052 -6.131 1.00 61.35 C ATOM 853 NH1 ARG A 504 -11.268 9.293 -6.634 1.00 23.52 N ATOM 854 NH2 ARG A 504 -13.543 9.571 -6.715 1.00 11.35 N ATOM 0 H ARG A 504 -10.028 8.302 -0.265 1.00 70.20 H new ATOM 0 HA ARG A 504 -12.098 6.203 -0.376 1.00 0.14 H new ATOM 0 HB2 ARG A 504 -9.878 6.999 -2.294 1.00 52.13 H new ATOM 0 HB3 ARG A 504 -10.909 5.598 -2.507 1.00 52.13 H new ATOM 0 HG2 ARG A 504 -12.886 7.030 -2.699 1.00 32.05 H new ATOM 0 HG3 ARG A 504 -11.924 8.455 -2.360 1.00 32.05 H new ATOM 0 HD2 ARG A 504 -10.622 8.121 -4.422 1.00 60.22 H new ATOM 0 HD3 ARG A 504 -11.454 6.612 -4.740 1.00 60.22 H new ATOM 0 HE ARG A 504 -13.565 8.288 -4.613 1.00 54.14 H new ATOM 0 HH11 ARG A 504 -10.439 8.928 -6.166 1.00 23.52 H new ATOM 0 HH12 ARG A 504 -11.171 9.843 -7.488 1.00 23.52 H new ATOM 0 HH21 ARG A 504 -14.468 9.422 -6.312 1.00 11.35 H new ATOM 0 HH22 ARG A 504 -13.441 10.121 -7.568 1.00 11.35 H new ATOM 868 N LEU A 505 -9.018 5.938 0.525 1.00 13.05 N ATOM 869 CA LEU A 505 -8.017 5.023 1.027 1.00 14.12 C ATOM 870 C LEU A 505 -7.984 5.022 2.549 1.00 0.32 C ATOM 871 O LEU A 505 -8.376 6.002 3.185 1.00 15.04 O ATOM 872 CB LEU A 505 -6.646 5.387 0.441 1.00 43.42 C ATOM 873 CG LEU A 505 -5.473 4.477 0.810 1.00 42.24 C ATOM 874 CD1 LEU A 505 -5.742 3.053 0.374 1.00 60.13 C ATOM 875 CD2 LEU A 505 -4.200 4.980 0.180 1.00 0.52 C ATOM 0 H LEU A 505 -8.771 6.925 0.596 1.00 13.05 H new ATOM 0 HA LEU A 505 -8.276 4.012 0.712 1.00 14.12 H new ATOM 0 HB2 LEU A 505 -6.735 5.403 -0.645 1.00 43.42 H new ATOM 0 HB3 LEU A 505 -6.401 6.401 0.756 1.00 43.42 H new ATOM 0 HG LEU A 505 -5.359 4.491 1.894 1.00 42.24 H new ATOM 0 HD11 LEU A 505 -4.895 2.423 0.646 1.00 60.13 H new ATOM 0 HD12 LEU A 505 -6.641 2.685 0.868 1.00 60.13 H new ATOM 0 HD13 LEU A 505 -5.883 3.024 -0.706 1.00 60.13 H new ATOM 0 HD21 LEU A 505 -3.375 4.322 0.452 1.00 0.52 H new ATOM 0 HD22 LEU A 505 -4.311 4.993 -0.904 1.00 0.52 H new ATOM 0 HD23 LEU A 505 -3.992 5.989 0.536 1.00 0.52 H new ATOM 887 N LYS A 506 -7.544 3.916 3.114 1.00 43.20 N ATOM 888 CA LYS A 506 -7.398 3.757 4.536 1.00 74.22 C ATOM 889 C LYS A 506 -6.206 2.832 4.784 1.00 73.32 C ATOM 890 O LYS A 506 -5.678 2.247 3.833 1.00 2.44 O ATOM 891 CB LYS A 506 -8.685 3.208 5.217 1.00 40.04 C ATOM 892 CG LYS A 506 -9.108 1.767 4.848 1.00 41.34 C ATOM 893 CD LYS A 506 -9.567 1.599 3.394 1.00 54.42 C ATOM 894 CE LYS A 506 -10.870 2.327 3.105 1.00 21.23 C ATOM 895 NZ LYS A 506 -11.306 2.141 1.700 1.00 44.42 N ATOM 0 H LYS A 506 -7.274 3.089 2.581 1.00 43.20 H new ATOM 0 HA LYS A 506 -7.226 4.735 4.985 1.00 74.22 H new ATOM 0 HB2 LYS A 506 -8.544 3.255 6.297 1.00 40.04 H new ATOM 0 HB3 LYS A 506 -9.510 3.877 4.974 1.00 40.04 H new ATOM 0 HG2 LYS A 506 -8.269 1.096 5.032 1.00 41.34 H new ATOM 0 HG3 LYS A 506 -9.916 1.457 5.510 1.00 41.34 H new ATOM 0 HD2 LYS A 506 -8.791 1.972 2.726 1.00 54.42 H new ATOM 0 HD3 LYS A 506 -9.692 0.538 3.176 1.00 54.42 H new ATOM 0 HE2 LYS A 506 -11.647 1.963 3.778 1.00 21.23 H new ATOM 0 HE3 LYS A 506 -10.745 3.390 3.309 1.00 21.23 H new ATOM 0 HZ1 LYS A 506 -12.344 2.094 1.662 1.00 44.42 H new ATOM 0 HZ2 LYS A 506 -10.974 2.941 1.125 1.00 44.42 H new ATOM 0 HZ3 LYS A 506 -10.906 1.257 1.326 1.00 44.42 H new ATOM 909 N ALA A 507 -5.782 2.714 6.020 1.00 40.15 N ATOM 910 CA ALA A 507 -4.628 1.904 6.351 1.00 44.32 C ATOM 911 C ALA A 507 -5.061 0.503 6.711 1.00 62.43 C ATOM 912 O ALA A 507 -6.154 0.300 7.244 1.00 23.24 O ATOM 913 CB ALA A 507 -3.834 2.535 7.498 1.00 3.24 C ATOM 0 H ALA A 507 -6.221 3.171 6.820 1.00 40.15 H new ATOM 0 HA ALA A 507 -3.978 1.854 5.478 1.00 44.32 H new ATOM 0 HB1 ALA A 507 -2.972 1.910 7.730 1.00 3.24 H new ATOM 0 HB2 ALA A 507 -3.494 3.527 7.202 1.00 3.24 H new ATOM 0 HB3 ALA A 507 -4.470 2.617 8.379 1.00 3.24 H new ATOM 919 N GLY A 508 -4.217 -0.456 6.423 1.00 4.13 N ATOM 920 CA GLY A 508 -4.530 -1.831 6.716 1.00 0.22 C ATOM 921 C GLY A 508 -4.608 -2.665 5.470 1.00 65.21 C ATOM 922 O GLY A 508 -4.217 -3.835 5.469 1.00 11.22 O ATOM 0 H GLY A 508 -3.307 -0.309 5.986 1.00 4.13 H new ATOM 0 HA2 GLY A 508 -3.771 -2.242 7.381 1.00 0.22 H new ATOM 0 HA3 GLY A 508 -5.481 -1.882 7.247 1.00 0.22 H new ATOM 926 N ASP A 509 -5.095 -2.056 4.407 1.00 40.21 N ATOM 927 CA ASP A 509 -5.254 -2.725 3.119 1.00 12.15 C ATOM 928 C ASP A 509 -3.920 -3.061 2.510 1.00 41.31 C ATOM 929 O ASP A 509 -2.895 -2.401 2.786 1.00 62.32 O ATOM 930 CB ASP A 509 -6.039 -1.849 2.130 1.00 74.23 C ATOM 931 CG ASP A 509 -7.434 -1.544 2.589 1.00 1.02 C ATOM 932 OD1 ASP A 509 -7.582 -0.867 3.599 1.00 24.43 O ATOM 933 OD2 ASP A 509 -8.412 -2.008 1.958 1.00 24.32 O ATOM 0 H ASP A 509 -5.394 -1.081 4.406 1.00 40.21 H new ATOM 0 HA ASP A 509 -5.808 -3.644 3.309 1.00 12.15 H new ATOM 0 HB2 ASP A 509 -5.501 -0.913 1.977 1.00 74.23 H new ATOM 0 HB3 ASP A 509 -6.083 -2.353 1.164 1.00 74.23 H new ATOM 938 N ARG A 510 -3.915 -4.077 1.691 1.00 42.10 N ATOM 939 CA ARG A 510 -2.720 -4.467 1.000 1.00 55.04 C ATOM 940 C ARG A 510 -2.674 -3.732 -0.298 1.00 52.55 C ATOM 941 O ARG A 510 -3.634 -3.767 -1.059 1.00 45.33 O ATOM 942 CB ARG A 510 -2.677 -5.979 0.747 1.00 11.13 C ATOM 943 CG ARG A 510 -1.370 -6.448 0.112 1.00 25.45 C ATOM 944 CD ARG A 510 -1.349 -7.946 -0.137 1.00 64.00 C ATOM 945 NE ARG A 510 -2.352 -8.375 -1.115 1.00 25.32 N ATOM 946 CZ ARG A 510 -2.720 -9.654 -1.323 1.00 23.13 C ATOM 947 NH1 ARG A 510 -2.260 -10.626 -0.539 1.00 62.12 N ATOM 948 NH2 ARG A 510 -3.570 -9.950 -2.297 1.00 61.21 N ATOM 0 H ARG A 510 -4.732 -4.652 1.486 1.00 42.10 H new ATOM 0 HA ARG A 510 -1.856 -4.220 1.617 1.00 55.04 H new ATOM 0 HB2 ARG A 510 -2.822 -6.503 1.692 1.00 11.13 H new ATOM 0 HB3 ARG A 510 -3.508 -6.256 0.098 1.00 11.13 H new ATOM 0 HG2 ARG A 510 -1.220 -5.924 -0.832 1.00 25.45 H new ATOM 0 HG3 ARG A 510 -0.537 -6.179 0.762 1.00 25.45 H new ATOM 0 HD2 ARG A 510 -0.359 -8.237 -0.488 1.00 64.00 H new ATOM 0 HD3 ARG A 510 -1.520 -8.468 0.804 1.00 64.00 H new ATOM 0 HE ARG A 510 -2.804 -7.654 -1.678 1.00 25.32 H new ATOM 0 HH11 ARG A 510 -1.623 -10.405 0.227 1.00 62.12 H new ATOM 0 HH12 ARG A 510 -2.544 -11.592 -0.704 1.00 62.12 H new ATOM 0 HH21 ARG A 510 -3.945 -9.209 -2.889 1.00 61.21 H new ATOM 0 HH22 ARG A 510 -3.848 -10.919 -2.454 1.00 61.21 H new ATOM 962 N LEU A 511 -1.596 -3.070 -0.553 1.00 2.20 N ATOM 963 CA LEU A 511 -1.461 -2.348 -1.751 1.00 60.33 C ATOM 964 C LEU A 511 -1.069 -3.339 -2.847 1.00 74.13 C ATOM 965 O LEU A 511 -0.193 -4.184 -2.639 1.00 21.23 O ATOM 966 CB LEU A 511 -0.402 -1.264 -1.572 1.00 72.51 C ATOM 967 CG LEU A 511 -0.339 -0.207 -2.656 1.00 21.01 C ATOM 968 CD1 LEU A 511 -1.639 0.556 -2.699 1.00 75.03 C ATOM 969 CD2 LEU A 511 0.821 0.726 -2.413 1.00 53.22 C ATOM 0 H LEU A 511 -0.790 -3.021 0.070 1.00 2.20 H new ATOM 0 HA LEU A 511 -2.393 -1.855 -2.027 1.00 60.33 H new ATOM 0 HB2 LEU A 511 -0.578 -0.767 -0.618 1.00 72.51 H new ATOM 0 HB3 LEU A 511 0.574 -1.745 -1.505 1.00 72.51 H new ATOM 0 HG LEU A 511 -0.186 -0.692 -3.620 1.00 21.01 H new ATOM 0 HD11 LEU A 511 -1.590 1.315 -3.480 1.00 75.03 H new ATOM 0 HD12 LEU A 511 -2.457 -0.131 -2.912 1.00 75.03 H new ATOM 0 HD13 LEU A 511 -1.811 1.037 -1.736 1.00 75.03 H new ATOM 0 HD21 LEU A 511 0.853 1.480 -3.200 1.00 53.22 H new ATOM 0 HD22 LEU A 511 0.698 1.215 -1.447 1.00 53.22 H new ATOM 0 HD23 LEU A 511 1.751 0.158 -2.416 1.00 53.22 H new ATOM 981 N ILE A 512 -1.743 -3.276 -3.965 1.00 43.44 N ATOM 982 CA ILE A 512 -1.493 -4.193 -5.068 1.00 42.23 C ATOM 983 C ILE A 512 -0.661 -3.515 -6.135 1.00 25.44 C ATOM 984 O ILE A 512 0.300 -4.088 -6.656 1.00 54.31 O ATOM 985 CB ILE A 512 -2.821 -4.709 -5.687 1.00 24.41 C ATOM 986 CG1 ILE A 512 -3.708 -5.367 -4.613 1.00 1.42 C ATOM 987 CG2 ILE A 512 -2.553 -5.684 -6.836 1.00 72.32 C ATOM 988 CD1 ILE A 512 -3.059 -6.535 -3.894 1.00 21.23 C ATOM 0 H ILE A 512 -2.480 -2.594 -4.146 1.00 43.44 H new ATOM 0 HA ILE A 512 -0.946 -5.048 -4.671 1.00 42.23 H new ATOM 0 HB ILE A 512 -3.355 -3.849 -6.092 1.00 24.41 H new ATOM 0 HG12 ILE A 512 -3.987 -4.613 -3.877 1.00 1.42 H new ATOM 0 HG13 ILE A 512 -4.630 -5.711 -5.082 1.00 1.42 H new ATOM 0 HG21 ILE A 512 -3.501 -6.028 -7.250 1.00 72.32 H new ATOM 0 HG22 ILE A 512 -1.979 -5.181 -7.614 1.00 72.32 H new ATOM 0 HG23 ILE A 512 -1.988 -6.538 -6.464 1.00 72.32 H new ATOM 0 HD11 ILE A 512 -3.752 -6.938 -3.156 1.00 21.23 H new ATOM 0 HD12 ILE A 512 -2.806 -7.311 -4.616 1.00 21.23 H new ATOM 0 HD13 ILE A 512 -2.152 -6.196 -3.393 1.00 21.23 H new ATOM 1000 N GLU A 513 -1.024 -2.306 -6.455 1.00 54.44 N ATOM 1001 CA GLU A 513 -0.296 -1.533 -7.418 1.00 50.32 C ATOM 1002 C GLU A 513 -0.479 -0.071 -7.097 1.00 23.45 C ATOM 1003 O GLU A 513 -1.462 0.315 -6.438 1.00 11.04 O ATOM 1004 CB GLU A 513 -0.776 -1.809 -8.866 1.00 5.21 C ATOM 1005 CG GLU A 513 -2.212 -1.395 -9.122 1.00 45.35 C ATOM 1006 CD GLU A 513 -2.649 -1.495 -10.556 1.00 51.35 C ATOM 1007 OE1 GLU A 513 -3.082 -2.578 -10.985 1.00 41.43 O ATOM 1008 OE2 GLU A 513 -2.621 -0.468 -11.268 1.00 62.15 O ATOM 0 H GLU A 513 -1.832 -1.829 -6.056 1.00 54.44 H new ATOM 0 HA GLU A 513 0.755 -1.815 -7.363 1.00 50.32 H new ATOM 0 HB2 GLU A 513 -0.125 -1.280 -9.562 1.00 5.21 H new ATOM 0 HB3 GLU A 513 -0.671 -2.873 -9.077 1.00 5.21 H new ATOM 0 HG2 GLU A 513 -2.869 -2.016 -8.512 1.00 45.35 H new ATOM 0 HG3 GLU A 513 -2.344 -0.366 -8.787 1.00 45.35 H new ATOM 1015 N VAL A 514 0.446 0.728 -7.526 1.00 54.02 N ATOM 1016 CA VAL A 514 0.357 2.134 -7.385 1.00 64.13 C ATOM 1017 C VAL A 514 0.816 2.773 -8.668 1.00 10.41 C ATOM 1018 O VAL A 514 1.848 2.405 -9.230 1.00 40.34 O ATOM 1019 CB VAL A 514 1.126 2.683 -6.140 1.00 71.13 C ATOM 1020 CG1 VAL A 514 2.546 2.234 -6.155 1.00 34.34 C ATOM 1021 CG2 VAL A 514 1.087 4.200 -6.093 1.00 71.31 C ATOM 0 H VAL A 514 1.296 0.409 -7.991 1.00 54.02 H new ATOM 0 HA VAL A 514 -0.684 2.397 -7.197 1.00 64.13 H new ATOM 0 HB VAL A 514 0.629 2.287 -5.254 1.00 71.13 H new ATOM 0 HG11 VAL A 514 3.061 2.628 -5.279 1.00 34.34 H new ATOM 0 HG12 VAL A 514 2.583 1.145 -6.138 1.00 34.34 H new ATOM 0 HG13 VAL A 514 3.034 2.600 -7.058 1.00 34.34 H new ATOM 0 HG21 VAL A 514 1.630 4.551 -5.216 1.00 71.31 H new ATOM 0 HG22 VAL A 514 1.551 4.604 -6.993 1.00 71.31 H new ATOM 0 HG23 VAL A 514 0.052 4.536 -6.037 1.00 71.31 H new ATOM 1031 N ASN A 515 -0.025 3.640 -9.165 1.00 43.44 N ATOM 1032 CA ASN A 515 0.160 4.411 -10.375 1.00 34.05 C ATOM 1033 C ASN A 515 0.182 3.499 -11.629 1.00 64.44 C ATOM 1034 O ASN A 515 0.455 3.944 -12.743 1.00 15.35 O ATOM 1035 CB ASN A 515 1.412 5.287 -10.266 1.00 51.14 C ATOM 1036 CG ASN A 515 1.310 6.509 -11.121 1.00 50.12 C ATOM 1037 OD1 ASN A 515 1.723 6.533 -12.274 1.00 0.02 O ATOM 1038 ND2 ASN A 515 0.742 7.545 -10.540 1.00 2.10 N ATOM 0 H ASN A 515 -0.915 3.843 -8.710 1.00 43.44 H new ATOM 0 HA ASN A 515 -0.694 5.078 -10.495 1.00 34.05 H new ATOM 0 HB2 ASN A 515 1.560 5.582 -9.227 1.00 51.14 H new ATOM 0 HB3 ASN A 515 2.287 4.709 -10.561 1.00 51.14 H new ATOM 0 HD21 ASN A 515 0.629 8.419 -11.053 1.00 2.10 H new ATOM 0 HD22 ASN A 515 0.415 7.473 -9.577 1.00 2.10 H new ATOM 1045 N GLY A 516 -0.155 2.224 -11.437 1.00 13.22 N ATOM 1046 CA GLY A 516 -0.190 1.282 -12.535 1.00 63.11 C ATOM 1047 C GLY A 516 0.976 0.315 -12.528 1.00 42.25 C ATOM 1048 O GLY A 516 1.121 -0.503 -13.446 1.00 60.32 O ATOM 0 H GLY A 516 -0.406 1.829 -10.531 1.00 13.22 H new ATOM 0 HA2 GLY A 516 -1.122 0.718 -12.492 1.00 63.11 H new ATOM 0 HA3 GLY A 516 -0.193 1.831 -13.477 1.00 63.11 H new ATOM 1052 N VAL A 517 1.814 0.396 -11.516 1.00 75.43 N ATOM 1053 CA VAL A 517 2.977 -0.480 -11.424 1.00 54.23 C ATOM 1054 C VAL A 517 2.746 -1.575 -10.367 1.00 71.44 C ATOM 1055 O VAL A 517 2.209 -1.298 -9.295 1.00 42.11 O ATOM 1056 CB VAL A 517 4.253 0.329 -11.091 1.00 20.54 C ATOM 1057 CG1 VAL A 517 5.473 -0.561 -11.046 1.00 3.34 C ATOM 1058 CG2 VAL A 517 4.454 1.442 -12.100 1.00 21.21 C ATOM 0 H VAL A 517 1.717 1.056 -10.744 1.00 75.43 H new ATOM 0 HA VAL A 517 3.119 -0.956 -12.394 1.00 54.23 H new ATOM 0 HB VAL A 517 4.119 0.768 -10.102 1.00 20.54 H new ATOM 0 HG11 VAL A 517 6.352 0.038 -10.810 1.00 3.34 H new ATOM 0 HG12 VAL A 517 5.338 -1.325 -10.280 1.00 3.34 H new ATOM 0 HG13 VAL A 517 5.610 -1.040 -12.016 1.00 3.34 H new ATOM 0 HG21 VAL A 517 5.356 2.001 -11.850 1.00 21.21 H new ATOM 0 HG22 VAL A 517 4.556 1.015 -13.098 1.00 21.21 H new ATOM 0 HG23 VAL A 517 3.595 2.112 -12.079 1.00 21.21 H new ATOM 1068 N ASP A 518 3.187 -2.796 -10.676 1.00 42.24 N ATOM 1069 CA ASP A 518 2.963 -3.978 -9.831 1.00 20.51 C ATOM 1070 C ASP A 518 3.922 -3.969 -8.699 1.00 33.25 C ATOM 1071 O ASP A 518 5.117 -3.717 -8.898 1.00 50.44 O ATOM 1072 CB ASP A 518 3.162 -5.286 -10.627 1.00 51.20 C ATOM 1073 CG ASP A 518 2.175 -5.477 -11.745 1.00 32.42 C ATOM 1074 OD1 ASP A 518 2.331 -4.833 -12.804 1.00 11.42 O ATOM 1075 OD2 ASP A 518 1.236 -6.283 -11.594 1.00 42.24 O ATOM 0 H ASP A 518 3.714 -2.997 -11.526 1.00 42.24 H new ATOM 0 HA ASP A 518 1.936 -3.937 -9.469 1.00 20.51 H new ATOM 0 HB2 ASP A 518 4.171 -5.298 -11.040 1.00 51.20 H new ATOM 0 HB3 ASP A 518 3.088 -6.131 -9.942 1.00 51.20 H new ATOM 1080 N LEU A 519 3.428 -4.239 -7.527 1.00 20.30 N ATOM 1081 CA LEU A 519 4.257 -4.215 -6.339 1.00 73.53 C ATOM 1082 C LEU A 519 4.870 -5.538 -6.061 1.00 21.20 C ATOM 1083 O LEU A 519 6.047 -5.622 -5.739 1.00 71.25 O ATOM 1084 CB LEU A 519 3.456 -3.859 -5.141 1.00 31.42 C ATOM 1085 CG LEU A 519 2.663 -2.610 -5.215 1.00 24.11 C ATOM 1086 CD1 LEU A 519 2.052 -2.360 -3.901 1.00 45.21 C ATOM 1087 CD2 LEU A 519 3.498 -1.450 -5.658 1.00 3.24 C ATOM 0 H LEU A 519 2.451 -4.481 -7.359 1.00 20.30 H new ATOM 0 HA LEU A 519 5.032 -3.474 -6.532 1.00 73.53 H new ATOM 0 HB2 LEU A 519 2.774 -4.683 -4.931 1.00 31.42 H new ATOM 0 HB3 LEU A 519 4.133 -3.782 -4.290 1.00 31.42 H new ATOM 0 HG LEU A 519 1.879 -2.728 -5.963 1.00 24.11 H new ATOM 0 HD11 LEU A 519 1.465 -1.443 -3.941 1.00 45.21 H new ATOM 0 HD12 LEU A 519 1.403 -3.195 -3.637 1.00 45.21 H new ATOM 0 HD13 LEU A 519 2.835 -2.257 -3.149 1.00 45.21 H new ATOM 0 HD21 LEU A 519 2.881 -0.552 -5.700 1.00 3.24 H new ATOM 0 HD22 LEU A 519 4.313 -1.297 -4.951 1.00 3.24 H new ATOM 0 HD23 LEU A 519 3.909 -1.654 -6.647 1.00 3.24 H new ATOM 1099 N VAL A 520 4.070 -6.566 -6.151 1.00 32.42 N ATOM 1100 CA VAL A 520 4.507 -7.885 -5.828 1.00 33.32 C ATOM 1101 C VAL A 520 5.569 -8.337 -6.813 1.00 71.15 C ATOM 1102 O VAL A 520 5.280 -8.707 -7.957 1.00 52.44 O ATOM 1103 CB VAL A 520 3.317 -8.866 -5.736 1.00 24.32 C ATOM 1104 CG1 VAL A 520 3.785 -10.268 -5.365 1.00 50.32 C ATOM 1105 CG2 VAL A 520 2.312 -8.346 -4.699 1.00 13.11 C ATOM 0 H VAL A 520 3.097 -6.506 -6.451 1.00 32.42 H new ATOM 0 HA VAL A 520 4.964 -7.875 -4.838 1.00 33.32 H new ATOM 0 HB VAL A 520 2.837 -8.927 -6.713 1.00 24.32 H new ATOM 0 HG11 VAL A 520 2.925 -10.935 -5.308 1.00 50.32 H new ATOM 0 HG12 VAL A 520 4.478 -10.633 -6.123 1.00 50.32 H new ATOM 0 HG13 VAL A 520 4.287 -10.240 -4.398 1.00 50.32 H new ATOM 0 HG21 VAL A 520 1.470 -9.035 -4.631 1.00 13.11 H new ATOM 0 HG22 VAL A 520 2.799 -8.270 -3.727 1.00 13.11 H new ATOM 0 HG23 VAL A 520 1.952 -7.363 -5.002 1.00 13.11 H new ATOM 1115 N GLY A 521 6.794 -8.232 -6.372 1.00 41.12 N ATOM 1116 CA GLY A 521 7.927 -8.519 -7.178 1.00 71.33 C ATOM 1117 C GLY A 521 9.013 -7.486 -6.963 1.00 12.32 C ATOM 1118 O GLY A 521 10.183 -7.740 -7.242 1.00 54.00 O ATOM 0 H GLY A 521 7.026 -7.938 -5.423 1.00 41.12 H new ATOM 0 HA2 GLY A 521 8.309 -9.511 -6.937 1.00 71.33 H new ATOM 0 HA3 GLY A 521 7.637 -8.536 -8.229 1.00 71.33 H new ATOM 1122 N LYS A 522 8.629 -6.313 -6.468 1.00 64.42 N ATOM 1123 CA LYS A 522 9.581 -5.243 -6.179 1.00 35.20 C ATOM 1124 C LYS A 522 9.651 -4.959 -4.673 1.00 15.30 C ATOM 1125 O LYS A 522 8.774 -5.383 -3.909 1.00 62.23 O ATOM 1126 CB LYS A 522 9.281 -3.944 -6.984 1.00 63.22 C ATOM 1127 CG LYS A 522 7.864 -3.381 -6.834 1.00 34.25 C ATOM 1128 CD LYS A 522 7.675 -1.978 -7.438 1.00 65.34 C ATOM 1129 CE LYS A 522 7.875 -1.912 -8.962 1.00 14.42 C ATOM 1130 NZ LYS A 522 9.289 -2.000 -9.399 1.00 43.20 N ATOM 0 H LYS A 522 7.659 -6.078 -6.257 1.00 64.42 H new ATOM 0 HA LYS A 522 10.560 -5.595 -6.506 1.00 35.20 H new ATOM 0 HB2 LYS A 522 9.991 -3.176 -6.677 1.00 63.22 H new ATOM 0 HB3 LYS A 522 9.463 -4.143 -8.040 1.00 63.22 H new ATOM 0 HG2 LYS A 522 7.161 -4.066 -7.308 1.00 34.25 H new ATOM 0 HG3 LYS A 522 7.610 -3.346 -5.775 1.00 34.25 H new ATOM 0 HD2 LYS A 522 6.672 -1.625 -7.199 1.00 65.34 H new ATOM 0 HD3 LYS A 522 8.376 -1.293 -6.961 1.00 65.34 H new ATOM 0 HE2 LYS A 522 7.313 -2.723 -9.425 1.00 14.42 H new ATOM 0 HE3 LYS A 522 7.451 -0.979 -9.332 1.00 14.42 H new ATOM 0 HZ1 LYS A 522 9.478 -1.268 -10.113 1.00 43.20 H new ATOM 0 HZ2 LYS A 522 9.915 -1.855 -8.581 1.00 43.20 H new ATOM 0 HZ3 LYS A 522 9.468 -2.939 -9.810 1.00 43.20 H new ATOM 1144 N SER A 523 10.695 -4.261 -4.263 1.00 54.01 N ATOM 1145 CA SER A 523 10.929 -3.931 -2.866 1.00 31.53 C ATOM 1146 C SER A 523 10.328 -2.569 -2.514 1.00 34.12 C ATOM 1147 O SER A 523 10.025 -1.765 -3.403 1.00 51.43 O ATOM 1148 CB SER A 523 12.437 -3.898 -2.598 1.00 5.01 C ATOM 1149 OG SER A 523 13.056 -5.132 -2.955 1.00 63.01 O ATOM 0 H SER A 523 11.411 -3.903 -4.895 1.00 54.01 H new ATOM 0 HA SER A 523 10.451 -4.692 -2.249 1.00 31.53 H new ATOM 0 HB2 SER A 523 12.891 -3.084 -3.164 1.00 5.01 H new ATOM 0 HB3 SER A 523 12.616 -3.691 -1.543 1.00 5.01 H new ATOM 0 HG SER A 523 14.018 -5.080 -2.774 1.00 63.01 H new ATOM 1155 N GLN A 524 10.193 -2.314 -1.212 1.00 72.11 N ATOM 1156 CA GLN A 524 9.662 -1.058 -0.672 1.00 32.35 C ATOM 1157 C GLN A 524 10.314 0.158 -1.240 1.00 1.52 C ATOM 1158 O GLN A 524 9.633 1.048 -1.658 1.00 45.35 O ATOM 1159 CB GLN A 524 9.790 -1.037 0.835 1.00 63.34 C ATOM 1160 CG GLN A 524 8.730 -1.808 1.540 1.00 50.15 C ATOM 1161 CD GLN A 524 7.432 -1.062 1.563 1.00 70.43 C ATOM 1162 OE1 GLN A 524 7.412 0.154 1.586 1.00 14.34 O ATOM 1163 NE2 GLN A 524 6.355 -1.765 1.557 1.00 53.31 N ATOM 0 H GLN A 524 10.454 -2.985 -0.489 1.00 72.11 H new ATOM 0 HA GLN A 524 8.613 -1.025 -0.966 1.00 32.35 H new ATOM 0 HB2 GLN A 524 10.764 -1.439 1.113 1.00 63.34 H new ATOM 0 HB3 GLN A 524 9.763 -0.003 1.178 1.00 63.34 H new ATOM 0 HG2 GLN A 524 8.589 -2.770 1.047 1.00 50.15 H new ATOM 0 HG3 GLN A 524 9.049 -2.017 2.561 1.00 50.15 H new ATOM 0 HE21 GLN A 524 6.411 -2.783 1.537 1.00 53.31 H new ATOM 0 HE22 GLN A 524 5.445 -1.304 1.572 1.00 53.31 H new ATOM 1172 N GLU A 525 11.628 0.180 -1.287 1.00 1.22 N ATOM 1173 CA GLU A 525 12.348 1.365 -1.763 1.00 30.04 C ATOM 1174 C GLU A 525 11.968 1.709 -3.199 1.00 75.35 C ATOM 1175 O GLU A 525 11.920 2.880 -3.581 1.00 65.41 O ATOM 1176 CB GLU A 525 13.860 1.226 -1.634 1.00 20.41 C ATOM 1177 CG GLU A 525 14.376 1.020 -0.207 1.00 23.12 C ATOM 1178 CD GLU A 525 13.999 -0.319 0.386 1.00 33.40 C ATOM 1179 OE1 GLU A 525 14.491 -1.355 -0.101 1.00 14.02 O ATOM 1180 OE2 GLU A 525 13.221 -0.355 1.350 1.00 14.31 O ATOM 0 H GLU A 525 12.226 -0.597 -1.006 1.00 1.22 H new ATOM 0 HA GLU A 525 12.041 2.186 -1.115 1.00 30.04 H new ATOM 0 HB2 GLU A 525 14.185 0.385 -2.246 1.00 20.41 H new ATOM 0 HB3 GLU A 525 14.328 2.120 -2.047 1.00 20.41 H new ATOM 0 HG2 GLU A 525 15.462 1.116 -0.205 1.00 23.12 H new ATOM 0 HG3 GLU A 525 13.985 1.813 0.430 1.00 23.12 H new ATOM 1187 N GLU A 526 11.668 0.692 -3.968 1.00 4.41 N ATOM 1188 CA GLU A 526 11.245 0.860 -5.331 1.00 32.33 C ATOM 1189 C GLU A 526 9.825 1.428 -5.359 1.00 71.24 C ATOM 1190 O GLU A 526 9.495 2.269 -6.187 1.00 23.11 O ATOM 1191 CB GLU A 526 11.281 -0.483 -6.041 1.00 54.34 C ATOM 1192 CG GLU A 526 12.660 -1.131 -6.082 1.00 73.33 C ATOM 1193 CD GLU A 526 12.647 -2.482 -6.757 1.00 40.34 C ATOM 1194 OE1 GLU A 526 12.768 -2.541 -8.001 1.00 15.15 O ATOM 1195 OE2 GLU A 526 12.506 -3.500 -6.059 1.00 21.34 O ATOM 0 H GLU A 526 11.711 -0.280 -3.662 1.00 4.41 H new ATOM 0 HA GLU A 526 11.916 1.552 -5.840 1.00 32.33 H new ATOM 0 HB2 GLU A 526 10.587 -1.162 -5.545 1.00 54.34 H new ATOM 0 HB3 GLU A 526 10.923 -0.351 -7.062 1.00 54.34 H new ATOM 0 HG2 GLU A 526 13.351 -0.473 -6.608 1.00 73.33 H new ATOM 0 HG3 GLU A 526 13.036 -1.241 -5.065 1.00 73.33 H new ATOM 1202 N VAL A 527 9.000 0.967 -4.437 1.00 14.24 N ATOM 1203 CA VAL A 527 7.613 1.401 -4.362 1.00 40.41 C ATOM 1204 C VAL A 527 7.526 2.807 -3.749 1.00 75.11 C ATOM 1205 O VAL A 527 6.719 3.626 -4.172 1.00 33.30 O ATOM 1206 CB VAL A 527 6.726 0.439 -3.513 1.00 15.23 C ATOM 1207 CG1 VAL A 527 5.254 0.792 -3.666 1.00 21.55 C ATOM 1208 CG2 VAL A 527 6.975 -1.022 -3.855 1.00 3.33 C ATOM 0 H VAL A 527 9.267 0.288 -3.724 1.00 14.24 H new ATOM 0 HA VAL A 527 7.237 1.401 -5.385 1.00 40.41 H new ATOM 0 HB VAL A 527 7.008 0.573 -2.469 1.00 15.23 H new ATOM 0 HG11 VAL A 527 4.652 0.110 -3.066 1.00 21.55 H new ATOM 0 HG12 VAL A 527 5.088 1.815 -3.328 1.00 21.55 H new ATOM 0 HG13 VAL A 527 4.966 0.705 -4.714 1.00 21.55 H new ATOM 0 HG21 VAL A 527 6.335 -1.654 -3.239 1.00 3.33 H new ATOM 0 HG22 VAL A 527 6.749 -1.193 -4.907 1.00 3.33 H new ATOM 0 HG23 VAL A 527 8.020 -1.267 -3.664 1.00 3.33 H new ATOM 1218 N VAL A 528 8.378 3.084 -2.761 1.00 41.52 N ATOM 1219 CA VAL A 528 8.334 4.375 -2.077 1.00 14.10 C ATOM 1220 C VAL A 528 8.710 5.494 -3.026 1.00 14.43 C ATOM 1221 O VAL A 528 8.073 6.518 -3.051 1.00 4.33 O ATOM 1222 CB VAL A 528 9.201 4.465 -0.763 1.00 53.14 C ATOM 1223 CG1 VAL A 528 8.903 3.348 0.231 1.00 23.41 C ATOM 1224 CG2 VAL A 528 10.692 4.592 -1.026 1.00 0.22 C ATOM 0 H VAL A 528 9.095 2.443 -2.421 1.00 41.52 H new ATOM 0 HA VAL A 528 7.300 4.484 -1.751 1.00 14.10 H new ATOM 0 HB VAL A 528 8.889 5.398 -0.294 1.00 53.14 H new ATOM 0 HG11 VAL A 528 9.533 3.468 1.113 1.00 23.41 H new ATOM 0 HG12 VAL A 528 7.854 3.393 0.525 1.00 23.41 H new ATOM 0 HG13 VAL A 528 9.109 2.383 -0.233 1.00 23.41 H new ATOM 0 HG21 VAL A 528 11.225 4.649 -0.077 1.00 0.22 H new ATOM 0 HG22 VAL A 528 11.038 3.723 -1.585 1.00 0.22 H new ATOM 0 HG23 VAL A 528 10.884 5.496 -1.605 1.00 0.22 H new ATOM 1234 N SER A 529 9.723 5.267 -3.830 1.00 4.41 N ATOM 1235 CA SER A 529 10.172 6.250 -4.801 1.00 43.12 C ATOM 1236 C SER A 529 9.134 6.435 -5.921 1.00 3.24 C ATOM 1237 O SER A 529 8.980 7.528 -6.479 1.00 3.44 O ATOM 1238 CB SER A 529 11.558 5.874 -5.322 1.00 40.05 C ATOM 1239 OG SER A 529 11.599 4.508 -5.707 1.00 55.43 O ATOM 0 H SER A 529 10.260 4.400 -3.833 1.00 4.41 H new ATOM 0 HA SER A 529 10.265 7.222 -4.316 1.00 43.12 H new ATOM 0 HB2 SER A 529 11.815 6.504 -6.174 1.00 40.05 H new ATOM 0 HB3 SER A 529 12.305 6.061 -4.550 1.00 40.05 H new ATOM 0 HG SER A 529 11.813 3.955 -4.927 1.00 55.43 H new ATOM 1245 N LEU A 530 8.414 5.370 -6.201 1.00 22.43 N ATOM 1246 CA LEU A 530 7.301 5.373 -7.109 1.00 52.14 C ATOM 1247 C LEU A 530 6.177 6.235 -6.511 1.00 71.14 C ATOM 1248 O LEU A 530 5.526 7.011 -7.210 1.00 63.02 O ATOM 1249 CB LEU A 530 6.885 3.905 -7.309 1.00 54.05 C ATOM 1250 CG LEU A 530 5.554 3.580 -7.971 1.00 71.33 C ATOM 1251 CD1 LEU A 530 5.432 4.166 -9.361 1.00 44.32 C ATOM 1252 CD2 LEU A 530 5.371 2.079 -8.021 1.00 24.10 C ATOM 0 H LEU A 530 8.597 4.455 -5.788 1.00 22.43 H new ATOM 0 HA LEU A 530 7.548 5.804 -8.079 1.00 52.14 H new ATOM 0 HB2 LEU A 530 7.667 3.423 -7.896 1.00 54.05 H new ATOM 0 HB3 LEU A 530 6.885 3.430 -6.328 1.00 54.05 H new ATOM 0 HG LEU A 530 4.769 4.037 -7.368 1.00 71.33 H new ATOM 0 HD11 LEU A 530 4.463 3.902 -9.784 1.00 44.32 H new ATOM 0 HD12 LEU A 530 5.521 5.251 -9.307 1.00 44.32 H new ATOM 0 HD13 LEU A 530 6.225 3.768 -9.995 1.00 44.32 H new ATOM 0 HD21 LEU A 530 4.418 1.844 -8.495 1.00 24.10 H new ATOM 0 HD22 LEU A 530 6.182 1.633 -8.596 1.00 24.10 H new ATOM 0 HD23 LEU A 530 5.381 1.677 -7.008 1.00 24.10 H new ATOM 1264 N LEU A 531 6.002 6.124 -5.206 1.00 33.43 N ATOM 1265 CA LEU A 531 5.029 6.905 -4.477 1.00 20.40 C ATOM 1266 C LEU A 531 5.470 8.381 -4.427 1.00 63.21 C ATOM 1267 O LEU A 531 4.710 9.269 -4.744 1.00 74.41 O ATOM 1268 CB LEU A 531 4.896 6.355 -3.040 1.00 33.42 C ATOM 1269 CG LEU A 531 3.853 7.026 -2.151 1.00 13.52 C ATOM 1270 CD1 LEU A 531 2.462 6.757 -2.677 1.00 22.50 C ATOM 1271 CD2 LEU A 531 3.978 6.573 -0.701 1.00 64.11 C ATOM 0 H LEU A 531 6.538 5.483 -4.621 1.00 33.43 H new ATOM 0 HA LEU A 531 4.066 6.838 -4.983 1.00 20.40 H new ATOM 0 HB2 LEU A 531 4.660 5.293 -3.101 1.00 33.42 H new ATOM 0 HB3 LEU A 531 5.867 6.439 -2.551 1.00 33.42 H new ATOM 0 HG LEU A 531 4.035 8.100 -2.175 1.00 13.52 H new ATOM 0 HD11 LEU A 531 1.729 7.242 -2.032 1.00 22.50 H new ATOM 0 HD12 LEU A 531 2.373 7.152 -3.689 1.00 22.50 H new ATOM 0 HD13 LEU A 531 2.279 5.682 -2.690 1.00 22.50 H new ATOM 0 HD21 LEU A 531 3.219 7.071 -0.097 1.00 64.11 H new ATOM 0 HD22 LEU A 531 3.836 5.494 -0.643 1.00 64.11 H new ATOM 0 HD23 LEU A 531 4.968 6.829 -0.324 1.00 64.11 H new ATOM 1283 N ARG A 532 6.728 8.615 -4.068 1.00 5.14 N ATOM 1284 CA ARG A 532 7.286 9.975 -3.922 1.00 61.44 C ATOM 1285 C ARG A 532 7.212 10.761 -5.236 1.00 43.02 C ATOM 1286 O ARG A 532 7.131 11.989 -5.227 1.00 21.13 O ATOM 1287 CB ARG A 532 8.739 9.916 -3.434 1.00 71.41 C ATOM 1288 CG ARG A 532 8.989 9.155 -2.113 1.00 63.14 C ATOM 1289 CD ARG A 532 8.432 9.819 -0.844 1.00 45.34 C ATOM 1290 NE ARG A 532 6.960 9.994 -0.819 1.00 33.54 N ATOM 1291 CZ ARG A 532 6.228 10.182 0.302 1.00 72.23 C ATOM 1292 NH1 ARG A 532 6.799 10.099 1.503 1.00 1.31 N ATOM 1293 NH2 ARG A 532 4.925 10.454 0.213 1.00 11.43 N ATOM 0 H ARG A 532 7.399 7.873 -3.868 1.00 5.14 H new ATOM 0 HA ARG A 532 6.680 10.494 -3.180 1.00 61.44 H new ATOM 0 HB2 ARG A 532 9.343 9.453 -4.214 1.00 71.41 H new ATOM 0 HB3 ARG A 532 9.101 10.937 -3.314 1.00 71.41 H new ATOM 0 HG2 ARG A 532 8.553 8.160 -2.201 1.00 63.14 H new ATOM 0 HG3 ARG A 532 10.064 9.023 -1.989 1.00 63.14 H new ATOM 0 HD2 ARG A 532 8.726 9.221 0.019 1.00 45.34 H new ATOM 0 HD3 ARG A 532 8.900 10.796 -0.729 1.00 45.34 H new ATOM 0 HE ARG A 532 6.465 9.971 -1.710 1.00 33.54 H new ATOM 0 HH11 ARG A 532 7.795 9.892 1.581 1.00 1.31 H new ATOM 0 HH12 ARG A 532 6.240 10.242 2.344 1.00 1.31 H new ATOM 0 HH21 ARG A 532 4.479 10.520 -0.702 1.00 11.43 H new ATOM 0 HH22 ARG A 532 4.375 10.595 1.060 1.00 11.43 H new ATOM 1307 N SER A 533 7.234 10.056 -6.349 1.00 73.24 N ATOM 1308 CA SER A 533 7.136 10.684 -7.647 1.00 30.41 C ATOM 1309 C SER A 533 5.712 11.245 -7.851 1.00 11.11 C ATOM 1310 O SER A 533 5.527 12.328 -8.451 1.00 3.01 O ATOM 1311 CB SER A 533 7.480 9.660 -8.741 1.00 63.13 C ATOM 1312 OG SER A 533 7.474 10.245 -10.030 1.00 63.15 O ATOM 0 H SER A 533 7.320 9.040 -6.378 1.00 73.24 H new ATOM 0 HA SER A 533 7.843 11.511 -7.708 1.00 30.41 H new ATOM 0 HB2 SER A 533 8.462 9.231 -8.541 1.00 63.13 H new ATOM 0 HB3 SER A 533 6.762 8.841 -8.710 1.00 63.13 H new ATOM 0 HG SER A 533 7.698 9.565 -10.699 1.00 63.15 H new ATOM 1318 N THR A 534 4.729 10.524 -7.313 1.00 63.43 N ATOM 1319 CA THR A 534 3.322 10.853 -7.424 1.00 52.50 C ATOM 1320 C THR A 534 2.832 10.658 -8.878 1.00 33.42 C ATOM 1321 O THR A 534 2.416 9.558 -9.248 1.00 63.32 O ATOM 1322 CB THR A 534 3.016 12.295 -6.896 1.00 15.41 C ATOM 1323 OG1 THR A 534 3.543 12.435 -5.563 1.00 62.31 O ATOM 1324 CG2 THR A 534 1.516 12.576 -6.865 1.00 70.53 C ATOM 0 H THR A 534 4.901 9.674 -6.775 1.00 63.43 H new ATOM 0 HA THR A 534 2.766 10.165 -6.787 1.00 52.50 H new ATOM 0 HB THR A 534 3.485 13.008 -7.574 1.00 15.41 H new ATOM 0 HG1 THR A 534 3.355 13.337 -5.230 1.00 62.31 H new ATOM 0 HG21 THR A 534 1.343 13.586 -6.493 1.00 70.53 H new ATOM 0 HG22 THR A 534 1.108 12.485 -7.872 1.00 70.53 H new ATOM 0 HG23 THR A 534 1.025 11.858 -6.208 1.00 70.53 H new ATOM 1332 N LYS A 535 2.936 11.711 -9.678 1.00 32.42 N ATOM 1333 CA LYS A 535 2.574 11.743 -11.086 1.00 34.01 C ATOM 1334 C LYS A 535 2.658 13.218 -11.484 1.00 44.23 C ATOM 1335 O LYS A 535 2.925 14.052 -10.604 1.00 4.32 O ATOM 1336 CB LYS A 535 1.154 11.159 -11.333 1.00 42.05 C ATOM 1337 CG LYS A 535 0.860 10.895 -12.763 1.00 63.01 C ATOM 1338 CD LYS A 535 -0.452 10.195 -12.931 1.00 51.21 C ATOM 1339 CE LYS A 535 -0.778 10.049 -14.379 1.00 75.12 C ATOM 1340 NZ LYS A 535 0.202 9.203 -15.107 1.00 30.13 N ATOM 0 H LYS A 535 3.292 12.607 -9.346 1.00 32.42 H new ATOM 0 HA LYS A 535 3.240 11.124 -11.687 1.00 34.01 H new ATOM 0 HB2 LYS A 535 1.050 10.230 -10.772 1.00 42.05 H new ATOM 0 HB3 LYS A 535 0.411 11.854 -10.940 1.00 42.05 H new ATOM 0 HG2 LYS A 535 0.845 11.836 -13.313 1.00 63.01 H new ATOM 0 HG3 LYS A 535 1.656 10.287 -13.193 1.00 63.01 H new ATOM 0 HD2 LYS A 535 -0.411 9.213 -12.459 1.00 51.21 H new ATOM 0 HD3 LYS A 535 -1.239 10.757 -12.429 1.00 51.21 H new ATOM 0 HE2 LYS A 535 -1.772 9.615 -14.481 1.00 75.12 H new ATOM 0 HE3 LYS A 535 -0.813 11.036 -14.840 1.00 75.12 H new ATOM 0 HZ1 LYS A 535 -0.166 8.982 -16.054 1.00 30.13 H new ATOM 0 HZ2 LYS A 535 1.103 9.715 -15.197 1.00 30.13 H new ATOM 0 HZ3 LYS A 535 0.357 8.320 -14.581 1.00 30.13 H new ATOM 1354 N MET A 536 2.458 13.557 -12.748 1.00 65.04 N ATOM 1355 CA MET A 536 2.597 14.946 -13.174 1.00 60.21 C ATOM 1356 C MET A 536 1.450 15.839 -12.677 1.00 43.21 C ATOM 1357 O MET A 536 1.707 16.886 -12.088 1.00 43.22 O ATOM 1358 CB MET A 536 2.774 15.066 -14.687 1.00 12.51 C ATOM 1359 CG MET A 536 3.019 16.488 -15.165 1.00 51.42 C ATOM 1360 SD MET A 536 3.225 16.599 -16.952 1.00 43.44 S ATOM 1361 CE MET A 536 3.508 18.362 -17.137 1.00 10.31 C ATOM 0 H MET A 536 2.203 12.903 -13.488 1.00 65.04 H new ATOM 0 HA MET A 536 3.509 15.313 -12.703 1.00 60.21 H new ATOM 0 HB2 MET A 536 3.611 14.439 -14.996 1.00 12.51 H new ATOM 0 HB3 MET A 536 1.884 14.675 -15.180 1.00 12.51 H new ATOM 0 HG2 MET A 536 2.183 17.118 -14.861 1.00 51.42 H new ATOM 0 HG3 MET A 536 3.910 16.882 -14.676 1.00 51.42 H new ATOM 0 HE1 MET A 536 3.655 18.598 -18.191 1.00 10.31 H new ATOM 0 HE2 MET A 536 2.645 18.911 -16.759 1.00 10.31 H new ATOM 0 HE3 MET A 536 4.396 18.649 -16.574 1.00 10.31 H new ATOM 1371 N GLU A 537 0.190 15.442 -12.888 1.00 54.24 N ATOM 1372 CA GLU A 537 -0.904 16.298 -12.408 1.00 31.20 C ATOM 1373 C GLU A 537 -1.084 16.070 -10.916 1.00 72.43 C ATOM 1374 O GLU A 537 -1.381 16.991 -10.152 1.00 3.43 O ATOM 1375 CB GLU A 537 -2.251 16.106 -13.176 1.00 62.22 C ATOM 1376 CG GLU A 537 -3.053 14.831 -12.882 1.00 71.42 C ATOM 1377 CD GLU A 537 -2.346 13.561 -13.229 1.00 24.20 C ATOM 1378 OE1 GLU A 537 -1.552 13.083 -12.406 1.00 72.50 O ATOM 1379 OE2 GLU A 537 -2.588 13.021 -14.329 1.00 74.04 O ATOM 0 H GLU A 537 -0.090 14.583 -13.361 1.00 54.24 H new ATOM 0 HA GLU A 537 -0.619 17.331 -12.605 1.00 31.20 H new ATOM 0 HB2 GLU A 537 -2.888 16.963 -12.959 1.00 62.22 H new ATOM 0 HB3 GLU A 537 -2.037 16.131 -14.244 1.00 62.22 H new ATOM 0 HG2 GLU A 537 -3.307 14.813 -11.822 1.00 71.42 H new ATOM 0 HG3 GLU A 537 -3.992 14.872 -13.434 1.00 71.42 H new ATOM 1386 N GLY A 538 -0.887 14.839 -10.516 1.00 64.03 N ATOM 1387 CA GLY A 538 -0.940 14.507 -9.146 1.00 34.10 C ATOM 1388 C GLY A 538 -2.059 13.563 -8.809 1.00 42.02 C ATOM 1389 O GLY A 538 -2.524 13.554 -7.678 1.00 60.45 O ATOM 0 H GLY A 538 -0.688 14.056 -11.139 1.00 64.03 H new ATOM 0 HA2 GLY A 538 0.008 14.057 -8.851 1.00 34.10 H new ATOM 0 HA3 GLY A 538 -1.055 15.420 -8.562 1.00 34.10 H new ATOM 1393 N THR A 539 -2.517 12.773 -9.761 1.00 2.41 N ATOM 1394 CA THR A 539 -3.532 11.800 -9.425 1.00 23.04 C ATOM 1395 C THR A 539 -2.890 10.429 -9.433 1.00 41.52 C ATOM 1396 O THR A 539 -2.369 9.971 -10.450 1.00 41.50 O ATOM 1397 CB THR A 539 -4.687 11.805 -10.402 1.00 1.53 C ATOM 1398 OG1 THR A 539 -5.011 13.164 -10.727 1.00 20.22 O ATOM 1399 CG2 THR A 539 -5.913 11.178 -9.746 1.00 35.54 C ATOM 0 H THR A 539 -2.216 12.783 -10.736 1.00 2.41 H new ATOM 0 HA THR A 539 -3.935 12.054 -8.445 1.00 23.04 H new ATOM 0 HB THR A 539 -4.407 11.245 -11.294 1.00 1.53 H new ATOM 0 HG1 THR A 539 -5.758 13.180 -11.361 1.00 20.22 H new ATOM 0 HG21 THR A 539 -6.745 11.182 -10.451 1.00 35.54 H new ATOM 0 HG22 THR A 539 -5.686 10.151 -9.458 1.00 35.54 H new ATOM 0 HG23 THR A 539 -6.185 11.752 -8.860 1.00 35.54 H new ATOM 1407 N VAL A 540 -2.934 9.797 -8.334 1.00 1.13 N ATOM 1408 CA VAL A 540 -2.301 8.531 -8.150 1.00 30.51 C ATOM 1409 C VAL A 540 -3.323 7.432 -8.097 1.00 61.04 C ATOM 1410 O VAL A 540 -4.327 7.549 -7.406 1.00 71.14 O ATOM 1411 CB VAL A 540 -1.454 8.535 -6.864 1.00 4.23 C ATOM 1412 CG1 VAL A 540 -0.774 7.202 -6.639 1.00 72.41 C ATOM 1413 CG2 VAL A 540 -0.433 9.638 -6.935 1.00 21.30 C ATOM 0 H VAL A 540 -3.420 10.141 -7.506 1.00 1.13 H new ATOM 0 HA VAL A 540 -1.643 8.350 -9.000 1.00 30.51 H new ATOM 0 HB VAL A 540 -2.120 8.708 -6.019 1.00 4.23 H new ATOM 0 HG11 VAL A 540 -0.186 7.244 -5.722 1.00 72.41 H new ATOM 0 HG12 VAL A 540 -1.528 6.419 -6.551 1.00 72.41 H new ATOM 0 HG13 VAL A 540 -0.118 6.981 -7.481 1.00 72.41 H new ATOM 0 HG21 VAL A 540 0.165 9.639 -6.024 1.00 21.30 H new ATOM 0 HG22 VAL A 540 0.217 9.478 -7.796 1.00 21.30 H new ATOM 0 HG23 VAL A 540 -0.940 10.597 -7.037 1.00 21.30 H new ATOM 1423 N SER A 541 -3.079 6.397 -8.848 1.00 45.54 N ATOM 1424 CA SER A 541 -3.942 5.265 -8.880 1.00 4.01 C ATOM 1425 C SER A 541 -3.441 4.211 -7.891 1.00 15.33 C ATOM 1426 O SER A 541 -2.373 3.665 -8.057 1.00 23.44 O ATOM 1427 CB SER A 541 -3.938 4.689 -10.297 1.00 61.54 C ATOM 1428 OG SER A 541 -4.292 5.676 -11.267 1.00 62.40 O ATOM 0 H SER A 541 -2.266 6.320 -9.459 1.00 45.54 H new ATOM 0 HA SER A 541 -4.954 5.558 -8.602 1.00 4.01 H new ATOM 0 HB2 SER A 541 -2.949 4.291 -10.526 1.00 61.54 H new ATOM 0 HB3 SER A 541 -4.638 3.855 -10.353 1.00 61.54 H new ATOM 0 HG SER A 541 -4.278 5.275 -12.161 1.00 62.40 H new ATOM 1434 N LEU A 542 -4.192 3.960 -6.874 1.00 55.23 N ATOM 1435 CA LEU A 542 -3.861 2.942 -5.912 1.00 61.03 C ATOM 1436 C LEU A 542 -4.780 1.784 -6.117 1.00 64.20 C ATOM 1437 O LEU A 542 -5.953 1.975 -6.407 1.00 2.02 O ATOM 1438 CB LEU A 542 -4.070 3.437 -4.454 1.00 2.01 C ATOM 1439 CG LEU A 542 -3.244 4.628 -3.976 1.00 63.44 C ATOM 1440 CD1 LEU A 542 -1.793 4.399 -4.251 1.00 71.13 C ATOM 1441 CD2 LEU A 542 -3.728 5.944 -4.563 1.00 13.32 C ATOM 0 H LEU A 542 -5.062 4.454 -6.677 1.00 55.23 H new ATOM 0 HA LEU A 542 -2.814 2.675 -6.054 1.00 61.03 H new ATOM 0 HB2 LEU A 542 -5.123 3.692 -4.336 1.00 2.01 H new ATOM 0 HB3 LEU A 542 -3.868 2.600 -3.785 1.00 2.01 H new ATOM 0 HG LEU A 542 -3.380 4.711 -2.898 1.00 63.44 H new ATOM 0 HD11 LEU A 542 -1.217 5.257 -3.904 1.00 71.13 H new ATOM 0 HD12 LEU A 542 -1.460 3.503 -3.727 1.00 71.13 H new ATOM 0 HD13 LEU A 542 -1.642 4.270 -5.323 1.00 71.13 H new ATOM 0 HD21 LEU A 542 -3.107 6.759 -4.191 1.00 13.32 H new ATOM 0 HD22 LEU A 542 -3.661 5.904 -5.650 1.00 13.32 H new ATOM 0 HD23 LEU A 542 -4.764 6.114 -4.269 1.00 13.32 H new ATOM 1453 N LEU A 543 -4.275 0.613 -6.025 1.00 32.20 N ATOM 1454 CA LEU A 543 -5.131 -0.539 -6.019 1.00 75.11 C ATOM 1455 C LEU A 543 -4.902 -1.205 -4.722 1.00 1.12 C ATOM 1456 O LEU A 543 -3.783 -1.613 -4.428 1.00 4.54 O ATOM 1457 CB LEU A 543 -4.801 -1.504 -7.138 1.00 30.41 C ATOM 1458 CG LEU A 543 -5.711 -2.735 -7.300 1.00 4.41 C ATOM 1459 CD1 LEU A 543 -7.112 -2.334 -7.719 1.00 3.10 C ATOM 1460 CD2 LEU A 543 -5.116 -3.715 -8.297 1.00 64.24 C ATOM 0 H LEU A 543 -3.277 0.413 -5.952 1.00 32.20 H new ATOM 0 HA LEU A 543 -6.167 -0.233 -6.164 1.00 75.11 H new ATOM 0 HB2 LEU A 543 -4.814 -0.949 -8.076 1.00 30.41 H new ATOM 0 HB3 LEU A 543 -3.780 -1.856 -6.990 1.00 30.41 H new ATOM 0 HG LEU A 543 -5.780 -3.227 -6.330 1.00 4.41 H new ATOM 0 HD11 LEU A 543 -7.729 -3.226 -7.825 1.00 3.10 H new ATOM 0 HD12 LEU A 543 -7.545 -1.680 -6.962 1.00 3.10 H new ATOM 0 HD13 LEU A 543 -7.070 -1.807 -8.672 1.00 3.10 H new ATOM 0 HD21 LEU A 543 -5.775 -4.578 -8.397 1.00 64.24 H new ATOM 0 HD22 LEU A 543 -5.007 -3.228 -9.266 1.00 64.24 H new ATOM 0 HD23 LEU A 543 -4.138 -4.044 -7.945 1.00 64.24 H new ATOM 1472 N VAL A 544 -5.900 -1.289 -3.940 1.00 0.12 N ATOM 1473 CA VAL A 544 -5.758 -1.898 -2.654 1.00 14.13 C ATOM 1474 C VAL A 544 -6.625 -3.101 -2.538 1.00 55.23 C ATOM 1475 O VAL A 544 -7.586 -3.245 -3.273 1.00 31.12 O ATOM 1476 CB VAL A 544 -6.045 -0.922 -1.491 1.00 73.22 C ATOM 1477 CG1 VAL A 544 -5.034 0.199 -1.481 1.00 52.24 C ATOM 1478 CG2 VAL A 544 -7.459 -0.365 -1.579 1.00 52.10 C ATOM 0 H VAL A 544 -6.836 -0.946 -4.155 1.00 0.12 H new ATOM 0 HA VAL A 544 -4.713 -2.197 -2.571 1.00 14.13 H new ATOM 0 HB VAL A 544 -5.960 -1.476 -0.556 1.00 73.22 H new ATOM 0 HG11 VAL A 544 -5.251 0.877 -0.656 1.00 52.24 H new ATOM 0 HG12 VAL A 544 -4.033 -0.215 -1.357 1.00 52.24 H new ATOM 0 HG13 VAL A 544 -5.087 0.745 -2.423 1.00 52.24 H new ATOM 0 HG21 VAL A 544 -7.633 0.319 -0.748 1.00 52.10 H new ATOM 0 HG22 VAL A 544 -7.581 0.170 -2.521 1.00 52.10 H new ATOM 0 HG23 VAL A 544 -8.176 -1.184 -1.531 1.00 52.10 H new ATOM 1488 N PHE A 545 -6.275 -3.950 -1.649 1.00 31.44 N ATOM 1489 CA PHE A 545 -7.025 -5.119 -1.375 1.00 14.35 C ATOM 1490 C PHE A 545 -7.623 -4.988 -0.004 1.00 13.31 C ATOM 1491 O PHE A 545 -6.900 -4.925 1.004 1.00 50.11 O ATOM 1492 CB PHE A 545 -6.124 -6.363 -1.479 1.00 21.11 C ATOM 1493 CG PHE A 545 -6.795 -7.678 -1.165 1.00 33.41 C ATOM 1494 CD1 PHE A 545 -7.688 -8.252 -2.055 1.00 5.42 C ATOM 1495 CD2 PHE A 545 -6.510 -8.351 0.014 1.00 21.32 C ATOM 1496 CE1 PHE A 545 -8.285 -9.464 -1.775 1.00 60.44 C ATOM 1497 CE2 PHE A 545 -7.107 -9.563 0.301 1.00 74.24 C ATOM 1498 CZ PHE A 545 -7.995 -10.122 -0.595 1.00 35.34 C ATOM 0 H PHE A 545 -5.437 -3.851 -1.075 1.00 31.44 H new ATOM 0 HA PHE A 545 -7.827 -5.236 -2.104 1.00 14.35 H new ATOM 0 HB2 PHE A 545 -5.719 -6.414 -2.490 1.00 21.11 H new ATOM 0 HB3 PHE A 545 -5.279 -6.236 -0.803 1.00 21.11 H new ATOM 0 HD1 PHE A 545 -7.920 -7.744 -2.980 1.00 5.42 H new ATOM 0 HD2 PHE A 545 -5.812 -7.921 0.717 1.00 21.32 H new ATOM 0 HE1 PHE A 545 -8.979 -9.899 -2.479 1.00 60.44 H new ATOM 0 HE2 PHE A 545 -6.879 -10.073 1.226 1.00 74.24 H new ATOM 0 HZ PHE A 545 -8.462 -11.071 -0.375 1.00 35.34 H new ATOM 1508 N ARG A 546 -8.922 -4.956 0.027 1.00 41.41 N ATOM 1509 CA ARG A 546 -9.667 -4.812 1.237 1.00 10.34 C ATOM 1510 C ARG A 546 -9.830 -6.163 1.809 1.00 24.22 C ATOM 1511 O ARG A 546 -10.417 -7.057 1.179 1.00 71.43 O ATOM 1512 CB ARG A 546 -11.041 -4.230 0.933 1.00 33.23 C ATOM 1513 CG ARG A 546 -12.003 -4.097 2.123 1.00 72.32 C ATOM 1514 CD ARG A 546 -11.812 -2.823 2.967 1.00 41.31 C ATOM 1515 NE ARG A 546 -10.482 -2.640 3.566 1.00 72.01 N ATOM 1516 CZ ARG A 546 -10.258 -2.545 4.891 1.00 4.32 C ATOM 1517 NH1 ARG A 546 -11.201 -2.915 5.762 1.00 43.31 N ATOM 1518 NH2 ARG A 546 -9.098 -2.094 5.336 1.00 23.15 N ATOM 0 H ARG A 546 -9.504 -5.031 -0.808 1.00 41.41 H new ATOM 0 HA ARG A 546 -9.151 -4.146 1.929 1.00 10.34 H new ATOM 0 HB2 ARG A 546 -10.904 -3.243 0.492 1.00 33.23 H new ATOM 0 HB3 ARG A 546 -11.517 -4.854 0.177 1.00 33.23 H new ATOM 0 HG2 ARG A 546 -13.027 -4.118 1.749 1.00 72.32 H new ATOM 0 HG3 ARG A 546 -11.882 -4.966 2.770 1.00 72.32 H new ATOM 0 HD2 ARG A 546 -12.027 -1.959 2.338 1.00 41.31 H new ATOM 0 HD3 ARG A 546 -12.552 -2.827 3.768 1.00 41.31 H new ATOM 0 HE ARG A 546 -9.679 -2.581 2.940 1.00 72.01 H new ATOM 0 HH11 ARG A 546 -12.095 -3.271 5.425 1.00 43.31 H new ATOM 0 HH12 ARG A 546 -11.027 -2.841 6.764 1.00 43.31 H new ATOM 0 HH21 ARG A 546 -8.371 -1.817 4.676 1.00 23.15 H new ATOM 0 HH22 ARG A 546 -8.930 -2.023 6.339 1.00 23.15 H new