USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 662 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 515 ASN : amide:sc= 0.804 K(o=2,f=-9.1!) USER MOD Set 1.2: A 535 LYS NZ :NH3+ -128:sc= 1.15 (180deg=-0.0282) USER MOD Set 2.1: A 476 THR OG1 : rot -170:sc= 1.06 USER MOD Set 2.2: A 491 LYS NZ :NH3+ -170:sc= 1.2 (180deg=0) USER MOD Set 3.1: A 465 LYS NZ :NH3+ -136:sc= 1.23 (180deg=-0.0984) USER MOD Set 3.2: A 539 THR OG1 : rot 102:sc= 1.37 USER MOD Set 4.1: A 463 GLN : amide:sc= 1.01 K(o=1.8,f=-0.4) USER MOD Set 4.2: A 541 SER OG : rot 180:sc= 0.806 USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 ASN : amide:sc= 0.205 K(o=0.2,f=-4!) 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= -1.24 USER MOD Single : A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 489 TYR OH : rot 180:sc= 0.756 USER MOD Single : A 492 ASN : amide:sc= -0.155 K(o=-0.16,f=-2.4) USER MOD Single : A 501 GLN : amide:sc= -1.27 X(o=-1.3,f=-1) USER MOD Single : A 506 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0244) USER MOD Single : A 522 LYS NZ :NH3+ -141:sc=-0.00994 (180deg=-2.57!) USER MOD Single : A 523 SER OG : rot 81:sc= 0.629 USER MOD Single : A 524 GLN : amide:sc= -6.85! C(o=-6.9!,f=-9.2!) USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 533 SER OG : rot 180:sc= 0 USER MOD Single : A 534 THR OG1 : rot -5:sc= -0.0284 USER MOD Single : A 536 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 138 N LYS A 458 -11.686 -9.171 -3.829 1.00 15.21 N ATOM 139 CA LYS A 458 -11.512 -8.324 -4.974 1.00 23.03 C ATOM 140 C LYS A 458 -10.491 -7.263 -4.691 1.00 43.12 C ATOM 141 O LYS A 458 -10.130 -7.018 -3.530 1.00 13.11 O ATOM 142 CB LYS A 458 -12.826 -7.661 -5.386 1.00 45.53 C ATOM 143 CG LYS A 458 -13.406 -6.722 -4.333 1.00 41.21 C ATOM 144 CD LYS A 458 -14.645 -6.009 -4.836 1.00 22.00 C ATOM 145 CE LYS A 458 -14.344 -5.158 -6.072 1.00 24.34 C ATOM 146 NZ LYS A 458 -15.535 -4.420 -6.543 1.00 25.34 N ATOM 0 HA LYS A 458 -11.169 -8.954 -5.794 1.00 23.03 H new ATOM 0 HB2 LYS A 458 -12.665 -7.101 -6.307 1.00 45.53 H new ATOM 0 HB3 LYS A 458 -13.558 -8.437 -5.608 1.00 45.53 H new ATOM 0 HG2 LYS A 458 -13.652 -7.290 -3.436 1.00 41.21 H new ATOM 0 HG3 LYS A 458 -12.654 -5.986 -4.048 1.00 41.21 H new ATOM 0 HD2 LYS A 458 -15.414 -6.742 -5.077 1.00 22.00 H new ATOM 0 HD3 LYS A 458 -15.046 -5.374 -4.046 1.00 22.00 H new ATOM 0 HE2 LYS A 458 -13.548 -4.450 -5.839 1.00 24.34 H new ATOM 0 HE3 LYS A 458 -13.976 -5.800 -6.872 1.00 24.34 H new ATOM 0 HZ1 LYS A 458 -15.286 -3.857 -7.381 1.00 25.34 H new ATOM 0 HZ2 LYS A 458 -16.286 -5.095 -6.790 1.00 25.34 H new ATOM 0 HZ3 LYS A 458 -15.872 -3.788 -5.789 1.00 25.34 H new ATOM 160 N ARG A 459 -10.035 -6.632 -5.725 1.00 21.33 N ATOM 161 CA ARG A 459 -9.127 -5.545 -5.594 1.00 61.31 C ATOM 162 C ARG A 459 -9.900 -4.269 -5.885 1.00 5.20 C ATOM 163 O ARG A 459 -10.910 -4.307 -6.590 1.00 31.25 O ATOM 164 CB ARG A 459 -7.940 -5.708 -6.538 1.00 15.35 C ATOM 165 CG ARG A 459 -7.261 -7.063 -6.429 1.00 63.33 C ATOM 166 CD ARG A 459 -6.020 -7.139 -7.289 1.00 55.12 C ATOM 167 NE ARG A 459 -6.278 -6.796 -8.695 1.00 64.43 N ATOM 168 CZ ARG A 459 -5.330 -6.719 -9.644 1.00 21.42 C ATOM 169 NH1 ARG A 459 -4.068 -7.006 -9.355 1.00 34.50 N ATOM 170 NH2 ARG A 459 -5.649 -6.374 -10.878 1.00 14.43 N ATOM 0 H ARG A 459 -10.285 -6.859 -6.687 1.00 21.33 H new ATOM 0 HA ARG A 459 -8.715 -5.510 -4.586 1.00 61.31 H new ATOM 0 HB2 ARG A 459 -8.279 -5.562 -7.564 1.00 15.35 H new ATOM 0 HB3 ARG A 459 -7.210 -4.926 -6.329 1.00 15.35 H new ATOM 0 HG2 ARG A 459 -6.995 -7.254 -5.389 1.00 63.33 H new ATOM 0 HG3 ARG A 459 -7.959 -7.845 -6.728 1.00 63.33 H new ATOM 0 HD2 ARG A 459 -5.264 -6.464 -6.888 1.00 55.12 H new ATOM 0 HD3 ARG A 459 -5.608 -8.147 -7.236 1.00 55.12 H new ATOM 0 HE ARG A 459 -7.242 -6.603 -8.969 1.00 64.43 H new ATOM 0 HH11 ARG A 459 -3.813 -7.287 -8.408 1.00 34.50 H new ATOM 0 HH12 ARG A 459 -3.353 -6.946 -10.079 1.00 34.50 H new ATOM 0 HH21 ARG A 459 -6.619 -6.164 -11.114 1.00 14.43 H new ATOM 0 HH22 ARG A 459 -4.926 -6.317 -11.595 1.00 14.43 H new ATOM 184 N LEU A 460 -9.454 -3.164 -5.352 1.00 73.32 N ATOM 185 CA LEU A 460 -10.169 -1.906 -5.471 1.00 1.24 C ATOM 186 C LEU A 460 -9.279 -0.870 -6.038 1.00 21.02 C ATOM 187 O LEU A 460 -8.154 -0.697 -5.575 1.00 54.03 O ATOM 188 CB LEU A 460 -10.697 -1.386 -4.107 1.00 71.54 C ATOM 189 CG LEU A 460 -11.810 -2.176 -3.375 1.00 71.13 C ATOM 190 CD1 LEU A 460 -13.047 -2.297 -4.231 1.00 64.31 C ATOM 191 CD2 LEU A 460 -11.338 -3.537 -2.884 1.00 3.44 C ATOM 0 H LEU A 460 -8.585 -3.102 -4.821 1.00 73.32 H new ATOM 0 HA LEU A 460 -11.021 -2.097 -6.123 1.00 1.24 H new ATOM 0 HB2 LEU A 460 -9.845 -1.317 -3.431 1.00 71.54 H new ATOM 0 HB3 LEU A 460 -11.063 -0.371 -4.263 1.00 71.54 H new ATOM 0 HG LEU A 460 -12.069 -1.601 -2.486 1.00 71.13 H new ATOM 0 HD11 LEU A 460 -13.810 -2.856 -3.690 1.00 64.31 H new ATOM 0 HD12 LEU A 460 -13.425 -1.302 -4.467 1.00 64.31 H new ATOM 0 HD13 LEU A 460 -12.800 -2.820 -5.155 1.00 64.31 H new ATOM 0 HD21 LEU A 460 -12.159 -4.046 -2.379 1.00 3.44 H new ATOM 0 HD22 LEU A 460 -11.007 -4.135 -3.733 1.00 3.44 H new ATOM 0 HD23 LEU A 460 -10.509 -3.405 -2.188 1.00 3.44 H new ATOM 203 N ASN A 461 -9.761 -0.191 -7.023 1.00 4.33 N ATOM 204 CA ASN A 461 -9.021 0.882 -7.631 1.00 3.33 C ATOM 205 C ASN A 461 -9.471 2.191 -7.015 1.00 73.03 C ATOM 206 O ASN A 461 -10.640 2.568 -7.091 1.00 40.21 O ATOM 207 CB ASN A 461 -9.149 0.896 -9.184 1.00 32.12 C ATOM 208 CG ASN A 461 -10.583 1.045 -9.717 1.00 71.13 C ATOM 209 OD1 ASN A 461 -11.557 0.608 -9.091 1.00 12.21 O ATOM 210 ND2 ASN A 461 -10.719 1.653 -10.865 1.00 15.02 N ATOM 0 H ASN A 461 -10.679 -0.358 -7.436 1.00 4.33 H new ATOM 0 HA ASN A 461 -7.960 0.731 -7.432 1.00 3.33 H new ATOM 0 HB2 ASN A 461 -8.545 1.714 -9.576 1.00 32.12 H new ATOM 0 HB3 ASN A 461 -8.726 -0.029 -9.577 1.00 32.12 H new ATOM 0 HD21 ASN A 461 -11.647 1.778 -11.269 1.00 15.02 H new ATOM 0 HD22 ASN A 461 -9.897 2.002 -11.358 1.00 15.02 H new ATOM 217 N ILE A 462 -8.571 2.834 -6.355 1.00 22.12 N ATOM 218 CA ILE A 462 -8.855 4.046 -5.650 1.00 61.14 C ATOM 219 C ILE A 462 -7.941 5.169 -6.141 1.00 4.33 C ATOM 220 O ILE A 462 -6.742 5.061 -6.060 1.00 64.25 O ATOM 221 CB ILE A 462 -8.604 3.805 -4.132 1.00 5.40 C ATOM 222 CG1 ILE A 462 -9.525 2.691 -3.592 1.00 11.44 C ATOM 223 CG2 ILE A 462 -8.778 5.077 -3.348 1.00 72.12 C ATOM 224 CD1 ILE A 462 -9.326 2.368 -2.122 1.00 0.15 C ATOM 0 H ILE A 462 -7.599 2.531 -6.286 1.00 22.12 H new ATOM 0 HA ILE A 462 -9.891 4.335 -5.824 1.00 61.14 H new ATOM 0 HB ILE A 462 -7.572 3.476 -4.010 1.00 5.40 H new ATOM 0 HG12 ILE A 462 -10.562 2.987 -3.749 1.00 11.44 H new ATOM 0 HG13 ILE A 462 -9.360 1.785 -4.176 1.00 11.44 H new ATOM 0 HG21 ILE A 462 -8.597 4.881 -2.291 1.00 72.12 H new ATOM 0 HG22 ILE A 462 -8.069 5.824 -3.705 1.00 72.12 H new ATOM 0 HG23 ILE A 462 -9.794 5.449 -3.479 1.00 72.12 H new ATOM 0 HD11 ILE A 462 -10.013 1.575 -1.827 1.00 0.15 H new ATOM 0 HD12 ILE A 462 -8.300 2.039 -1.958 1.00 0.15 H new ATOM 0 HD13 ILE A 462 -9.521 3.258 -1.524 1.00 0.15 H new ATOM 236 N GLN A 463 -8.504 6.235 -6.638 1.00 5.24 N ATOM 237 CA GLN A 463 -7.693 7.350 -7.092 1.00 21.12 C ATOM 238 C GLN A 463 -7.624 8.476 -6.080 1.00 34.23 C ATOM 239 O GLN A 463 -8.640 8.920 -5.560 1.00 43.43 O ATOM 240 CB GLN A 463 -8.103 7.850 -8.480 1.00 44.24 C ATOM 241 CG GLN A 463 -7.719 6.897 -9.599 1.00 64.44 C ATOM 242 CD GLN A 463 -8.085 7.392 -10.980 1.00 0.14 C ATOM 243 OE1 GLN A 463 -9.058 8.124 -11.165 1.00 74.44 O ATOM 244 NE2 GLN A 463 -7.325 6.979 -11.966 1.00 30.40 N ATOM 0 H GLN A 463 -9.511 6.363 -6.742 1.00 5.24 H new ATOM 0 HA GLN A 463 -6.680 6.959 -7.188 1.00 21.12 H new ATOM 0 HB2 GLN A 463 -9.182 8.006 -8.499 1.00 44.24 H new ATOM 0 HB3 GLN A 463 -7.638 8.819 -8.662 1.00 44.24 H new ATOM 0 HG2 GLN A 463 -6.644 6.721 -9.560 1.00 64.44 H new ATOM 0 HG3 GLN A 463 -8.205 5.937 -9.428 1.00 64.44 H new ATOM 0 HE21 GLN A 463 -6.527 6.373 -11.775 1.00 30.40 H new ATOM 0 HE22 GLN A 463 -7.532 7.264 -12.923 1.00 30.40 H new ATOM 253 N LEU A 464 -6.414 8.895 -5.786 1.00 63.24 N ATOM 254 CA LEU A 464 -6.154 9.973 -4.857 1.00 25.52 C ATOM 255 C LEU A 464 -5.539 11.119 -5.574 1.00 53.14 C ATOM 256 O LEU A 464 -4.598 10.937 -6.342 1.00 22.54 O ATOM 257 CB LEU A 464 -5.187 9.507 -3.760 1.00 22.33 C ATOM 258 CG LEU A 464 -5.775 8.715 -2.581 1.00 33.21 C ATOM 259 CD1 LEU A 464 -6.692 9.584 -1.754 1.00 2.23 C ATOM 260 CD2 LEU A 464 -6.507 7.491 -3.015 1.00 20.41 C ATOM 0 H LEU A 464 -5.570 8.491 -6.191 1.00 63.24 H new ATOM 0 HA LEU A 464 -7.100 10.276 -4.408 1.00 25.52 H new ATOM 0 HB2 LEU A 464 -4.419 8.891 -4.229 1.00 22.33 H new ATOM 0 HB3 LEU A 464 -4.687 10.388 -3.357 1.00 22.33 H new ATOM 0 HG LEU A 464 -4.927 8.395 -1.976 1.00 33.21 H new ATOM 0 HD11 LEU A 464 -7.096 9.002 -0.926 1.00 2.23 H new ATOM 0 HD12 LEU A 464 -6.133 10.433 -1.362 1.00 2.23 H new ATOM 0 HD13 LEU A 464 -7.510 9.945 -2.377 1.00 2.23 H new ATOM 0 HD21 LEU A 464 -6.900 6.973 -2.140 1.00 20.41 H new ATOM 0 HD22 LEU A 464 -7.331 7.773 -3.670 1.00 20.41 H new ATOM 0 HD23 LEU A 464 -5.826 6.831 -3.552 1.00 20.41 H new ATOM 272 N LYS A 465 -6.041 12.286 -5.330 1.00 61.01 N ATOM 273 CA LYS A 465 -5.538 13.439 -5.930 1.00 51.31 C ATOM 274 C LYS A 465 -4.655 14.186 -4.989 1.00 45.24 C ATOM 275 O LYS A 465 -4.993 14.421 -3.818 1.00 10.34 O ATOM 276 CB LYS A 465 -6.656 14.296 -6.426 1.00 45.04 C ATOM 277 CG LYS A 465 -6.205 15.575 -7.134 1.00 50.04 C ATOM 278 CD LYS A 465 -7.387 16.309 -7.701 1.00 24.33 C ATOM 279 CE LYS A 465 -8.040 15.498 -8.801 1.00 33.15 C ATOM 280 NZ LYS A 465 -7.207 15.410 -10.025 1.00 34.43 N ATOM 0 H LYS A 465 -6.823 12.448 -4.696 1.00 61.01 H new ATOM 0 HA LYS A 465 -4.930 13.148 -6.787 1.00 51.31 H new ATOM 0 HB2 LYS A 465 -7.269 13.712 -7.113 1.00 45.04 H new ATOM 0 HB3 LYS A 465 -7.292 14.567 -5.583 1.00 45.04 H new ATOM 0 HG2 LYS A 465 -5.673 16.218 -6.432 1.00 50.04 H new ATOM 0 HG3 LYS A 465 -5.506 15.328 -7.933 1.00 50.04 H new ATOM 0 HD2 LYS A 465 -8.111 16.509 -6.911 1.00 24.33 H new ATOM 0 HD3 LYS A 465 -7.068 17.275 -8.094 1.00 24.33 H new ATOM 0 HE2 LYS A 465 -8.243 14.492 -8.433 1.00 33.15 H new ATOM 0 HE3 LYS A 465 -9.002 15.945 -9.053 1.00 33.15 H new ATOM 0 HZ1 LYS A 465 -7.804 15.562 -10.863 1.00 34.43 H new ATOM 0 HZ2 LYS A 465 -6.464 16.137 -9.993 1.00 34.43 H new ATOM 0 HZ3 LYS A 465 -6.768 14.469 -10.079 1.00 34.43 H new ATOM 294 N LYS A 466 -3.543 14.530 -5.511 1.00 60.34 N ATOM 295 CA LYS A 466 -2.499 15.260 -4.814 1.00 32.42 C ATOM 296 C LYS A 466 -2.998 16.622 -4.325 1.00 40.10 C ATOM 297 O LYS A 466 -3.158 17.562 -5.110 1.00 32.02 O ATOM 298 CB LYS A 466 -1.276 15.432 -5.728 1.00 73.13 C ATOM 299 CG LYS A 466 -0.128 16.215 -5.107 1.00 1.04 C ATOM 300 CD LYS A 466 1.051 16.368 -6.065 1.00 62.31 C ATOM 301 CE LYS A 466 0.651 17.098 -7.347 1.00 33.10 C ATOM 302 NZ LYS A 466 1.811 17.351 -8.225 1.00 21.24 N ATOM 0 H LYS A 466 -3.301 14.312 -6.478 1.00 60.34 H new ATOM 0 HA LYS A 466 -2.210 14.681 -3.937 1.00 32.42 H new ATOM 0 HB2 LYS A 466 -0.912 14.446 -6.016 1.00 73.13 H new ATOM 0 HB3 LYS A 466 -1.590 15.936 -6.642 1.00 73.13 H new ATOM 0 HG2 LYS A 466 -0.483 17.202 -4.810 1.00 1.04 H new ATOM 0 HG3 LYS A 466 0.206 15.710 -4.201 1.00 1.04 H new ATOM 0 HD2 LYS A 466 1.853 16.916 -5.570 1.00 62.31 H new ATOM 0 HD3 LYS A 466 1.446 15.383 -6.316 1.00 62.31 H new ATOM 0 HE2 LYS A 466 -0.089 16.506 -7.886 1.00 33.10 H new ATOM 0 HE3 LYS A 466 0.176 18.045 -7.092 1.00 33.10 H new ATOM 0 HZ1 LYS A 466 1.496 17.848 -9.083 1.00 21.24 H new ATOM 0 HZ2 LYS A 466 2.506 17.938 -7.721 1.00 21.24 H new ATOM 0 HZ3 LYS A 466 2.249 16.446 -8.491 1.00 21.24 H new ATOM 316 N GLY A 467 -3.269 16.704 -3.043 1.00 14.43 N ATOM 317 CA GLY A 467 -3.700 17.929 -2.442 1.00 63.13 C ATOM 318 C GLY A 467 -2.997 18.157 -1.132 1.00 2.35 C ATOM 319 O GLY A 467 -2.822 17.210 -0.353 1.00 74.32 O ATOM 0 H GLY A 467 -3.195 15.920 -2.394 1.00 14.43 H new ATOM 0 HA2 GLY A 467 -3.500 18.761 -3.117 1.00 63.13 H new ATOM 0 HA3 GLY A 467 -4.778 17.901 -2.282 1.00 63.13 H new ATOM 323 N THR A 468 -2.568 19.389 -0.906 1.00 22.44 N ATOM 324 CA THR A 468 -1.861 19.804 0.309 1.00 11.23 C ATOM 325 C THR A 468 -0.497 19.084 0.482 1.00 21.41 C ATOM 326 O THR A 468 0.541 19.582 0.029 1.00 41.33 O ATOM 327 CB THR A 468 -2.740 19.653 1.586 1.00 11.21 C ATOM 328 OG1 THR A 468 -3.952 20.412 1.419 1.00 62.32 O ATOM 329 CG2 THR A 468 -2.003 20.159 2.825 1.00 34.20 C ATOM 0 H THR A 468 -2.702 20.149 -1.573 1.00 22.44 H new ATOM 0 HA THR A 468 -1.650 20.866 0.180 1.00 11.23 H new ATOM 0 HB THR A 468 -2.967 18.596 1.724 1.00 11.21 H new ATOM 0 HG1 THR A 468 -4.509 20.319 2.220 1.00 62.32 H new ATOM 0 HG21 THR A 468 -2.641 20.041 3.701 1.00 34.20 H new ATOM 0 HG22 THR A 468 -1.087 19.585 2.963 1.00 34.20 H new ATOM 0 HG23 THR A 468 -1.755 21.213 2.696 1.00 34.20 H new ATOM 337 N GLU A 469 -0.516 17.915 1.093 1.00 64.30 N ATOM 338 CA GLU A 469 0.691 17.165 1.344 1.00 45.15 C ATOM 339 C GLU A 469 0.839 16.115 0.244 1.00 15.31 C ATOM 340 O GLU A 469 1.912 15.524 0.045 1.00 52.32 O ATOM 341 CB GLU A 469 0.581 16.488 2.727 1.00 63.41 C ATOM 342 CG GLU A 469 1.868 15.881 3.262 1.00 14.31 C ATOM 343 CD GLU A 469 2.923 16.928 3.557 1.00 51.23 C ATOM 344 OE1 GLU A 469 2.925 17.488 4.689 1.00 50.42 O ATOM 345 OE2 GLU A 469 3.777 17.197 2.683 1.00 74.30 O ATOM 0 H GLU A 469 -1.367 17.463 1.427 1.00 64.30 H new ATOM 0 HA GLU A 469 1.564 17.818 1.342 1.00 45.15 H new ATOM 0 HB2 GLU A 469 0.221 17.225 3.445 1.00 63.41 H new ATOM 0 HB3 GLU A 469 -0.174 15.704 2.669 1.00 63.41 H new ATOM 0 HG2 GLU A 469 1.651 15.321 4.172 1.00 14.31 H new ATOM 0 HG3 GLU A 469 2.260 15.169 2.536 1.00 14.31 H new ATOM 352 N GLY A 470 -0.248 15.916 -0.490 1.00 64.14 N ATOM 353 CA GLY A 470 -0.293 14.897 -1.503 1.00 71.03 C ATOM 354 C GLY A 470 -0.302 13.553 -0.863 1.00 54.03 C ATOM 355 O GLY A 470 -0.684 13.473 0.274 1.00 12.24 O ATOM 0 H GLY A 470 -1.109 16.455 -0.394 1.00 64.14 H new ATOM 0 HA2 GLY A 470 -1.183 15.023 -2.120 1.00 71.03 H new ATOM 0 HA3 GLY A 470 0.569 14.990 -2.164 1.00 71.03 H new ATOM 359 N LEU A 471 0.140 12.507 -1.563 1.00 72.02 N ATOM 360 CA LEU A 471 0.046 11.109 -1.060 1.00 32.35 C ATOM 361 C LEU A 471 0.437 10.958 0.394 1.00 11.03 C ATOM 362 O LEU A 471 1.605 10.839 0.750 1.00 5.23 O ATOM 363 CB LEU A 471 0.749 10.073 -1.956 1.00 20.34 C ATOM 364 CG LEU A 471 0.078 9.772 -3.323 1.00 41.02 C ATOM 365 CD1 LEU A 471 -0.070 11.003 -4.188 1.00 53.52 C ATOM 366 CD2 LEU A 471 0.843 8.700 -4.057 1.00 41.31 C ATOM 0 H LEU A 471 0.570 12.588 -2.484 1.00 72.02 H new ATOM 0 HA LEU A 471 -1.018 10.881 -1.116 1.00 32.35 H new ATOM 0 HB2 LEU A 471 1.766 10.418 -2.143 1.00 20.34 H new ATOM 0 HB3 LEU A 471 0.827 9.138 -1.401 1.00 20.34 H new ATOM 0 HG LEU A 471 -0.930 9.416 -3.109 1.00 41.02 H new ATOM 0 HD11 LEU A 471 -0.545 10.731 -5.130 1.00 53.52 H new ATOM 0 HD12 LEU A 471 -0.685 11.739 -3.671 1.00 53.52 H new ATOM 0 HD13 LEU A 471 0.914 11.428 -4.387 1.00 53.52 H new ATOM 0 HD21 LEU A 471 0.361 8.499 -5.014 1.00 41.31 H new ATOM 0 HD22 LEU A 471 1.866 9.036 -4.229 1.00 41.31 H new ATOM 0 HD23 LEU A 471 0.856 7.789 -3.459 1.00 41.31 H new ATOM 378 N GLY A 472 -0.593 10.973 1.222 1.00 71.42 N ATOM 379 CA GLY A 472 -0.445 10.955 2.625 1.00 45.53 C ATOM 380 C GLY A 472 -0.803 9.638 3.161 1.00 24.32 C ATOM 381 O GLY A 472 -1.777 9.488 3.868 1.00 61.34 O ATOM 0 H GLY A 472 -1.564 10.999 0.910 1.00 71.42 H new ATOM 0 HA2 GLY A 472 0.584 11.195 2.891 1.00 45.53 H new ATOM 0 HA3 GLY A 472 -1.077 11.721 3.073 1.00 45.53 H new ATOM 385 N PHE A 473 -0.055 8.698 2.769 1.00 71.43 N ATOM 386 CA PHE A 473 -0.155 7.372 3.215 1.00 64.14 C ATOM 387 C PHE A 473 1.165 6.736 3.002 1.00 61.33 C ATOM 388 O PHE A 473 1.844 7.029 2.023 1.00 33.03 O ATOM 389 CB PHE A 473 -1.307 6.603 2.523 1.00 61.50 C ATOM 390 CG PHE A 473 -1.294 6.632 1.018 1.00 44.03 C ATOM 391 CD1 PHE A 473 -1.817 7.721 0.340 1.00 41.23 C ATOM 392 CD2 PHE A 473 -0.783 5.574 0.283 1.00 34.35 C ATOM 393 CE1 PHE A 473 -1.830 7.765 -1.025 1.00 35.22 C ATOM 394 CE2 PHE A 473 -0.797 5.615 -1.095 1.00 20.53 C ATOM 395 CZ PHE A 473 -1.322 6.718 -1.744 1.00 53.21 C ATOM 0 H PHE A 473 0.690 8.837 2.087 1.00 71.43 H new ATOM 0 HA PHE A 473 -0.410 7.350 4.274 1.00 64.14 H new ATOM 0 HB2 PHE A 473 -1.274 5.563 2.849 1.00 61.50 H new ATOM 0 HB3 PHE A 473 -2.255 7.015 2.869 1.00 61.50 H new ATOM 0 HD1 PHE A 473 -2.222 8.550 0.901 1.00 41.23 H new ATOM 0 HD2 PHE A 473 -0.372 4.714 0.792 1.00 34.35 H new ATOM 0 HE1 PHE A 473 -2.240 8.624 -1.535 1.00 35.22 H new ATOM 0 HE2 PHE A 473 -0.399 4.789 -1.666 1.00 20.53 H new ATOM 0 HZ PHE A 473 -1.331 6.753 -2.823 1.00 53.21 H new ATOM 405 N SER A 474 1.543 5.932 3.900 1.00 34.03 N ATOM 406 CA SER A 474 2.804 5.296 3.856 1.00 21.10 C ATOM 407 C SER A 474 2.622 3.808 3.717 1.00 12.33 C ATOM 408 O SER A 474 1.525 3.295 3.931 1.00 42.44 O ATOM 409 CB SER A 474 3.597 5.686 5.108 1.00 73.30 C ATOM 410 OG SER A 474 2.795 5.550 6.282 1.00 3.20 O ATOM 0 H SER A 474 0.978 5.684 4.712 1.00 34.03 H new ATOM 0 HA SER A 474 3.374 5.622 2.986 1.00 21.10 H new ATOM 0 HB2 SER A 474 4.483 5.057 5.193 1.00 73.30 H new ATOM 0 HB3 SER A 474 3.945 6.715 5.017 1.00 73.30 H new ATOM 0 HG SER A 474 3.322 5.802 7.069 1.00 3.20 H new ATOM 416 N ILE A 475 3.653 3.123 3.339 1.00 10.51 N ATOM 417 CA ILE A 475 3.594 1.699 3.164 1.00 40.03 C ATOM 418 C ILE A 475 4.471 0.964 4.166 1.00 3.24 C ATOM 419 O ILE A 475 5.444 1.508 4.685 1.00 22.41 O ATOM 420 CB ILE A 475 3.927 1.269 1.723 1.00 12.42 C ATOM 421 CG1 ILE A 475 5.198 1.977 1.234 1.00 71.03 C ATOM 422 CG2 ILE A 475 2.730 1.486 0.781 1.00 12.25 C ATOM 423 CD1 ILE A 475 5.644 1.564 -0.137 1.00 42.41 C ATOM 0 H ILE A 475 4.566 3.533 3.141 1.00 10.51 H new ATOM 0 HA ILE A 475 2.559 1.415 3.356 1.00 40.03 H new ATOM 0 HB ILE A 475 4.129 0.198 1.717 1.00 12.42 H new ATOM 0 HG12 ILE A 475 5.025 3.053 1.239 1.00 71.03 H new ATOM 0 HG13 ILE A 475 6.004 1.780 1.941 1.00 71.03 H new ATOM 0 HG21 ILE A 475 2.999 1.172 -0.228 1.00 12.25 H new ATOM 0 HG22 ILE A 475 1.881 0.898 1.130 1.00 12.25 H new ATOM 0 HG23 ILE A 475 2.460 2.542 0.773 1.00 12.25 H new ATOM 0 HD11 ILE A 475 6.548 2.111 -0.406 1.00 42.41 H new ATOM 0 HD12 ILE A 475 5.852 0.494 -0.145 1.00 42.41 H new ATOM 0 HD13 ILE A 475 4.857 1.787 -0.858 1.00 42.41 H new ATOM 435 N THR A 476 4.112 -0.258 4.430 1.00 51.33 N ATOM 436 CA THR A 476 4.785 -1.083 5.382 1.00 71.31 C ATOM 437 C THR A 476 4.919 -2.490 4.802 1.00 55.24 C ATOM 438 O THR A 476 4.081 -2.909 4.001 1.00 24.13 O ATOM 439 CB THR A 476 3.968 -1.114 6.720 1.00 4.25 C ATOM 440 OG1 THR A 476 4.661 -1.835 7.744 1.00 2.14 O ATOM 441 CG2 THR A 476 2.582 -1.711 6.532 1.00 32.14 C ATOM 0 H THR A 476 3.323 -0.717 3.976 1.00 51.33 H new ATOM 0 HA THR A 476 5.777 -0.685 5.594 1.00 71.31 H new ATOM 0 HB THR A 476 3.857 -0.075 7.030 1.00 4.25 H new ATOM 0 HG1 THR A 476 4.064 -1.972 8.509 1.00 2.14 H new ATOM 0 HG21 THR A 476 2.054 -1.712 7.485 1.00 32.14 H new ATOM 0 HG22 THR A 476 2.025 -1.116 5.809 1.00 32.14 H new ATOM 0 HG23 THR A 476 2.673 -2.734 6.167 1.00 32.14 H new ATOM 449 N SER A 477 5.961 -3.191 5.167 1.00 11.23 N ATOM 450 CA SER A 477 6.137 -4.540 4.709 1.00 43.42 C ATOM 451 C SER A 477 6.118 -5.477 5.900 1.00 64.11 C ATOM 452 O SER A 477 6.762 -5.199 6.907 1.00 44.04 O ATOM 453 CB SER A 477 7.438 -4.680 3.911 1.00 0.33 C ATOM 454 OG SER A 477 8.582 -4.280 4.666 1.00 31.22 O ATOM 0 H SER A 477 6.700 -2.848 5.781 1.00 11.23 H new ATOM 0 HA SER A 477 5.319 -4.804 4.039 1.00 43.42 H new ATOM 0 HB2 SER A 477 7.558 -5.716 3.595 1.00 0.33 H new ATOM 0 HB3 SER A 477 7.373 -4.076 3.006 1.00 0.33 H new ATOM 0 HG SER A 477 9.388 -4.387 4.120 1.00 31.22 H new ATOM 580 N PRO A 487 5.600 -8.220 0.707 1.00 22.24 N ATOM 581 CA PRO A 487 4.295 -7.745 0.298 1.00 33.35 C ATOM 582 C PRO A 487 4.082 -6.328 0.810 1.00 3.35 C ATOM 583 O PRO A 487 4.375 -6.023 1.981 1.00 42.41 O ATOM 584 CB PRO A 487 3.316 -8.724 0.972 1.00 52.41 C ATOM 585 CG PRO A 487 4.168 -9.639 1.803 1.00 2.21 C ATOM 586 CD PRO A 487 5.506 -8.971 1.940 1.00 54.43 C ATOM 0 HA PRO A 487 4.166 -7.712 -0.784 1.00 33.35 H new ATOM 0 HB2 PRO A 487 2.593 -8.192 1.591 1.00 52.41 H new ATOM 0 HB3 PRO A 487 2.748 -9.284 0.229 1.00 52.41 H new ATOM 0 HG2 PRO A 487 3.717 -9.807 2.781 1.00 2.21 H new ATOM 0 HG3 PRO A 487 4.269 -10.614 1.326 1.00 2.21 H new ATOM 0 HD2 PRO A 487 5.550 -8.323 2.816 1.00 54.43 H new ATOM 0 HD3 PRO A 487 6.315 -9.695 2.038 1.00 54.43 H new ATOM 594 N ILE A 488 3.563 -5.487 -0.040 1.00 62.41 N ATOM 595 CA ILE A 488 3.444 -4.083 0.257 1.00 3.44 C ATOM 596 C ILE A 488 2.082 -3.798 0.910 1.00 23.51 C ATOM 597 O ILE A 488 1.042 -4.137 0.358 1.00 60.11 O ATOM 598 CB ILE A 488 3.561 -3.253 -1.051 1.00 51.54 C ATOM 599 CG1 ILE A 488 4.737 -3.753 -1.945 1.00 60.33 C ATOM 600 CG2 ILE A 488 3.720 -1.774 -0.738 1.00 52.14 C ATOM 601 CD1 ILE A 488 6.109 -3.780 -1.298 1.00 15.42 C ATOM 0 H ILE A 488 3.210 -5.753 -0.959 1.00 62.41 H new ATOM 0 HA ILE A 488 4.244 -3.802 0.942 1.00 3.44 H new ATOM 0 HB ILE A 488 2.636 -3.392 -1.611 1.00 51.54 H new ATOM 0 HG12 ILE A 488 4.501 -4.760 -2.289 1.00 60.33 H new ATOM 0 HG13 ILE A 488 4.788 -3.118 -2.829 1.00 60.33 H new ATOM 0 HG21 ILE A 488 3.800 -1.212 -1.668 1.00 52.14 H new ATOM 0 HG22 ILE A 488 2.853 -1.426 -0.177 1.00 52.14 H new ATOM 0 HG23 ILE A 488 4.621 -1.623 -0.144 1.00 52.14 H new ATOM 0 HD11 ILE A 488 6.843 -4.145 -2.016 1.00 15.42 H new ATOM 0 HD12 ILE A 488 6.381 -2.773 -0.980 1.00 15.42 H new ATOM 0 HD13 ILE A 488 6.090 -4.441 -0.432 1.00 15.42 H new ATOM 613 N TYR A 489 2.093 -3.197 2.077 1.00 12.43 N ATOM 614 CA TYR A 489 0.863 -2.870 2.796 1.00 31.35 C ATOM 615 C TYR A 489 0.839 -1.408 3.132 1.00 3.23 C ATOM 616 O TYR A 489 1.859 -0.759 3.089 1.00 35.15 O ATOM 617 CB TYR A 489 0.737 -3.697 4.083 1.00 20.24 C ATOM 618 CG TYR A 489 0.697 -5.166 3.831 1.00 32.04 C ATOM 619 CD1 TYR A 489 -0.442 -5.747 3.348 1.00 43.21 C ATOM 620 CD2 TYR A 489 1.806 -5.965 4.041 1.00 14.15 C ATOM 621 CE1 TYR A 489 -0.501 -7.079 3.076 1.00 54.53 C ATOM 622 CE2 TYR A 489 1.765 -7.312 3.768 1.00 62.30 C ATOM 623 CZ TYR A 489 0.604 -7.863 3.281 1.00 64.32 C ATOM 624 OH TYR A 489 0.550 -9.209 2.994 1.00 3.44 O ATOM 0 H TYR A 489 2.946 -2.918 2.561 1.00 12.43 H new ATOM 0 HA TYR A 489 0.020 -3.111 2.149 1.00 31.35 H new ATOM 0 HB2 TYR A 489 1.578 -3.469 4.738 1.00 20.24 H new ATOM 0 HB3 TYR A 489 -0.169 -3.400 4.612 1.00 20.24 H new ATOM 0 HD1 TYR A 489 -1.315 -5.135 3.178 1.00 43.21 H new ATOM 0 HD2 TYR A 489 2.715 -5.526 4.424 1.00 14.15 H new ATOM 0 HE1 TYR A 489 -1.414 -7.516 2.700 1.00 54.53 H new ATOM 0 HE2 TYR A 489 2.635 -7.930 3.934 1.00 62.30 H new ATOM 0 HH TYR A 489 1.416 -9.621 3.194 1.00 3.44 H new ATOM 634 N VAL A 490 -0.312 -0.891 3.461 1.00 22.10 N ATOM 635 CA VAL A 490 -0.432 0.511 3.824 1.00 15.14 C ATOM 636 C VAL A 490 -0.211 0.679 5.330 1.00 51.41 C ATOM 637 O VAL A 490 -0.950 0.112 6.149 1.00 50.33 O ATOM 638 CB VAL A 490 -1.811 1.096 3.415 1.00 44.40 C ATOM 639 CG1 VAL A 490 -1.872 2.595 3.695 1.00 0.13 C ATOM 640 CG2 VAL A 490 -2.105 0.817 1.945 1.00 45.42 C ATOM 0 H VAL A 490 -1.188 -1.413 3.488 1.00 22.10 H new ATOM 0 HA VAL A 490 0.333 1.065 3.280 1.00 15.14 H new ATOM 0 HB VAL A 490 -2.574 0.604 4.017 1.00 44.40 H new ATOM 0 HG11 VAL A 490 -2.848 2.981 3.400 1.00 0.13 H new ATOM 0 HG12 VAL A 490 -1.718 2.773 4.759 1.00 0.13 H new ATOM 0 HG13 VAL A 490 -1.094 3.103 3.126 1.00 0.13 H new ATOM 0 HG21 VAL A 490 -3.076 1.236 1.682 1.00 45.42 H new ATOM 0 HG22 VAL A 490 -1.333 1.274 1.326 1.00 45.42 H new ATOM 0 HG23 VAL A 490 -2.116 -0.259 1.774 1.00 45.42 H new ATOM 650 N LYS A 491 0.805 1.458 5.670 1.00 33.42 N ATOM 651 CA LYS A 491 1.222 1.719 7.044 1.00 3.21 C ATOM 652 C LYS A 491 0.199 2.597 7.750 1.00 41.23 C ATOM 653 O LYS A 491 -0.446 2.172 8.703 1.00 51.34 O ATOM 654 CB LYS A 491 2.576 2.468 7.050 1.00 12.22 C ATOM 655 CG LYS A 491 3.117 2.811 8.437 1.00 74.22 C ATOM 656 CD LYS A 491 3.809 1.646 9.077 1.00 41.41 C ATOM 657 CE LYS A 491 5.203 1.457 8.473 1.00 74.31 C ATOM 658 NZ LYS A 491 5.913 0.277 9.018 1.00 60.44 N ATOM 0 H LYS A 491 1.380 1.941 4.980 1.00 33.42 H new ATOM 0 HA LYS A 491 1.312 0.762 7.558 1.00 3.21 H new ATOM 0 HB2 LYS A 491 3.314 1.858 6.529 1.00 12.22 H new ATOM 0 HB3 LYS A 491 2.466 3.391 6.481 1.00 12.22 H new ATOM 0 HG2 LYS A 491 3.813 3.646 8.358 1.00 74.22 H new ATOM 0 HG3 LYS A 491 2.296 3.139 9.075 1.00 74.22 H new ATOM 0 HD2 LYS A 491 3.890 1.808 10.152 1.00 41.41 H new ATOM 0 HD3 LYS A 491 3.218 0.741 8.935 1.00 41.41 H new ATOM 0 HE2 LYS A 491 5.114 1.353 7.392 1.00 74.31 H new ATOM 0 HE3 LYS A 491 5.798 2.351 8.659 1.00 74.31 H new ATOM 0 HZ1 LYS A 491 6.905 0.293 8.705 1.00 60.44 H new ATOM 0 HZ2 LYS A 491 5.877 0.300 10.057 1.00 60.44 H new ATOM 0 HZ3 LYS A 491 5.456 -0.592 8.675 1.00 60.44 H new ATOM 672 N ASN A 492 0.043 3.810 7.258 1.00 20.22 N ATOM 673 CA ASN A 492 -0.809 4.796 7.917 1.00 4.43 C ATOM 674 C ASN A 492 -1.369 5.760 6.893 1.00 0.41 C ATOM 675 O ASN A 492 -0.831 5.882 5.790 1.00 74.13 O ATOM 676 CB ASN A 492 0.014 5.603 8.943 1.00 51.21 C ATOM 677 CG ASN A 492 -0.845 6.505 9.827 1.00 25.44 C ATOM 678 OD1 ASN A 492 -1.998 6.195 10.111 1.00 31.14 O ATOM 679 ND2 ASN A 492 -0.294 7.614 10.260 1.00 35.43 N ATOM 0 H ASN A 492 0.492 4.142 6.405 1.00 20.22 H new ATOM 0 HA ASN A 492 -1.620 4.270 8.420 1.00 4.43 H new ATOM 0 HB2 ASN A 492 0.573 4.913 9.574 1.00 51.21 H new ATOM 0 HB3 ASN A 492 0.745 6.214 8.413 1.00 51.21 H new ATOM 0 HD21 ASN A 492 -0.827 8.251 10.853 1.00 35.43 H new ATOM 0 HD22 ASN A 492 0.667 7.840 10.004 1.00 35.43 H new ATOM 686 N ILE A 493 -2.434 6.422 7.263 1.00 14.34 N ATOM 687 CA ILE A 493 -3.087 7.430 6.467 1.00 42.03 C ATOM 688 C ILE A 493 -2.849 8.786 7.138 1.00 31.25 C ATOM 689 O ILE A 493 -3.398 9.073 8.204 1.00 44.32 O ATOM 690 CB ILE A 493 -4.622 7.132 6.383 1.00 43.23 C ATOM 691 CG1 ILE A 493 -4.891 5.821 5.691 1.00 72.35 C ATOM 692 CG2 ILE A 493 -5.416 8.217 5.719 1.00 43.34 C ATOM 693 CD1 ILE A 493 -4.394 5.744 4.252 1.00 34.05 C ATOM 0 H ILE A 493 -2.889 6.268 8.163 1.00 14.34 H new ATOM 0 HA ILE A 493 -2.685 7.435 5.454 1.00 42.03 H new ATOM 0 HB ILE A 493 -4.955 7.079 7.420 1.00 43.23 H new ATOM 0 HG12 ILE A 493 -4.424 5.021 6.265 1.00 72.35 H new ATOM 0 HG13 ILE A 493 -5.965 5.635 5.700 1.00 72.35 H new ATOM 0 HG21 ILE A 493 -6.469 7.937 5.699 1.00 43.34 H new ATOM 0 HG22 ILE A 493 -5.298 9.147 6.276 1.00 43.34 H new ATOM 0 HG23 ILE A 493 -5.059 8.357 4.699 1.00 43.34 H new ATOM 0 HD11 ILE A 493 -4.632 4.765 3.837 1.00 34.05 H new ATOM 0 HD12 ILE A 493 -4.879 6.518 3.658 1.00 34.05 H new ATOM 0 HD13 ILE A 493 -3.315 5.894 4.231 1.00 34.05 H new ATOM 705 N LEU A 494 -1.978 9.566 6.545 1.00 61.23 N ATOM 706 CA LEU A 494 -1.649 10.892 7.035 1.00 50.12 C ATOM 707 C LEU A 494 -2.857 11.835 6.949 1.00 13.43 C ATOM 708 O LEU A 494 -3.457 12.020 5.873 1.00 52.21 O ATOM 709 CB LEU A 494 -0.418 11.505 6.321 1.00 12.01 C ATOM 710 CG LEU A 494 0.976 10.886 6.619 1.00 52.23 C ATOM 711 CD1 LEU A 494 1.079 9.425 6.199 1.00 11.54 C ATOM 712 CD2 LEU A 494 2.067 11.708 5.953 1.00 21.21 C ATOM 0 H LEU A 494 -1.471 9.300 5.701 1.00 61.23 H new ATOM 0 HA LEU A 494 -1.380 10.774 8.085 1.00 50.12 H new ATOM 0 HB2 LEU A 494 -0.589 11.443 5.246 1.00 12.01 H new ATOM 0 HB3 LEU A 494 -0.376 12.564 6.576 1.00 12.01 H new ATOM 0 HG LEU A 494 1.109 10.910 7.701 1.00 52.23 H new ATOM 0 HD11 LEU A 494 2.075 9.049 6.432 1.00 11.54 H new ATOM 0 HD12 LEU A 494 0.334 8.838 6.737 1.00 11.54 H new ATOM 0 HD13 LEU A 494 0.902 9.341 5.127 1.00 11.54 H new ATOM 0 HD21 LEU A 494 3.039 11.265 6.169 1.00 21.21 H new ATOM 0 HD22 LEU A 494 1.906 11.722 4.875 1.00 21.21 H new ATOM 0 HD23 LEU A 494 2.040 12.728 6.337 1.00 21.21 H new ATOM 724 N PRO A 495 -3.167 12.492 8.074 1.00 33.42 N ATOM 725 CA PRO A 495 -4.388 13.345 8.274 1.00 55.14 C ATOM 726 C PRO A 495 -4.371 14.679 7.531 1.00 60.32 C ATOM 727 O PRO A 495 -5.059 15.625 7.934 1.00 52.34 O ATOM 728 CB PRO A 495 -4.296 13.637 9.761 1.00 61.02 C ATOM 729 CG PRO A 495 -2.843 13.674 10.004 1.00 55.54 C ATOM 730 CD PRO A 495 -2.337 12.485 9.298 1.00 44.23 C ATOM 0 HA PRO A 495 -5.283 12.841 7.910 1.00 55.14 H new ATOM 0 HB2 PRO A 495 -4.772 14.584 10.016 1.00 61.02 H new ATOM 0 HB3 PRO A 495 -4.785 12.864 10.355 1.00 61.02 H new ATOM 0 HG2 PRO A 495 -2.396 14.589 9.616 1.00 55.54 H new ATOM 0 HG3 PRO A 495 -2.615 13.634 11.069 1.00 55.54 H new ATOM 0 HD2 PRO A 495 -1.273 12.564 9.073 1.00 44.23 H new ATOM 0 HD3 PRO A 495 -2.473 11.574 9.880 1.00 44.23 H new ATOM 738 N ARG A 496 -3.627 14.762 6.467 1.00 35.25 N ATOM 739 CA ARG A 496 -3.519 16.012 5.732 1.00 0.15 C ATOM 740 C ARG A 496 -3.023 15.828 4.299 1.00 15.31 C ATOM 741 O ARG A 496 -2.752 16.800 3.591 1.00 64.11 O ATOM 742 CB ARG A 496 -2.617 16.948 6.466 1.00 52.55 C ATOM 743 CG ARG A 496 -1.283 16.315 6.853 1.00 22.40 C ATOM 744 CD ARG A 496 -0.332 17.331 7.455 1.00 12.10 C ATOM 745 NE ARG A 496 -0.895 17.983 8.631 1.00 65.23 N ATOM 746 CZ ARG A 496 -0.357 19.022 9.262 1.00 44.45 C ATOM 747 NH1 ARG A 496 0.828 19.505 8.885 1.00 43.30 N ATOM 748 NH2 ARG A 496 -0.998 19.563 10.285 1.00 43.43 N ATOM 0 H ARG A 496 -3.084 13.989 6.081 1.00 35.25 H new ATOM 0 HA ARG A 496 -4.524 16.427 5.663 1.00 0.15 H new ATOM 0 HB2 ARG A 496 -2.430 17.824 5.845 1.00 52.55 H new ATOM 0 HB3 ARG A 496 -3.121 17.297 7.367 1.00 52.55 H new ATOM 0 HG2 ARG A 496 -1.456 15.511 7.568 1.00 22.40 H new ATOM 0 HG3 ARG A 496 -0.825 15.865 5.972 1.00 22.40 H new ATOM 0 HD2 ARG A 496 0.600 16.837 7.727 1.00 12.10 H new ATOM 0 HD3 ARG A 496 -0.087 18.084 6.707 1.00 12.10 H new ATOM 0 HE ARG A 496 -1.771 17.613 8.999 1.00 65.23 H new ATOM 0 HH11 ARG A 496 1.329 19.077 8.107 1.00 43.30 H new ATOM 0 HH12 ARG A 496 1.233 20.303 9.375 1.00 43.30 H new ATOM 0 HH21 ARG A 496 -1.896 19.183 10.583 1.00 43.43 H new ATOM 0 HH22 ARG A 496 -0.594 20.360 10.776 1.00 43.43 H new ATOM 762 N GLY A 497 -2.901 14.607 3.880 1.00 44.04 N ATOM 763 CA GLY A 497 -2.444 14.365 2.527 1.00 74.23 C ATOM 764 C GLY A 497 -3.571 14.050 1.546 1.00 42.54 C ATOM 765 O GLY A 497 -4.711 14.417 1.764 1.00 50.52 O ATOM 0 H GLY A 497 -3.103 13.773 4.432 1.00 44.04 H new ATOM 0 HA2 GLY A 497 -1.901 15.242 2.174 1.00 74.23 H new ATOM 0 HA3 GLY A 497 -1.738 13.535 2.534 1.00 74.23 H new ATOM 769 N ALA A 498 -3.233 13.344 0.476 1.00 4.03 N ATOM 770 CA ALA A 498 -4.143 13.019 -0.565 1.00 13.24 C ATOM 771 C ALA A 498 -5.197 12.095 -0.039 1.00 11.10 C ATOM 772 O ALA A 498 -6.364 12.214 -0.372 1.00 52.41 O ATOM 773 CB ALA A 498 -3.414 12.344 -1.715 1.00 3.44 C ATOM 0 H ALA A 498 -2.292 12.982 0.323 1.00 4.03 H new ATOM 0 HA ALA A 498 -4.603 13.939 -0.927 1.00 13.24 H new ATOM 0 HB1 ALA A 498 -4.125 12.101 -2.504 1.00 3.44 H new ATOM 0 HB2 ALA A 498 -2.652 13.017 -2.108 1.00 3.44 H new ATOM 0 HB3 ALA A 498 -2.941 11.429 -1.359 1.00 3.44 H new ATOM 779 N ALA A 499 -4.765 11.182 0.845 1.00 64.31 N ATOM 780 CA ALA A 499 -5.632 10.166 1.397 1.00 42.15 C ATOM 781 C ALA A 499 -6.827 10.762 2.101 1.00 54.12 C ATOM 782 O ALA A 499 -7.908 10.272 1.960 1.00 30.21 O ATOM 783 CB ALA A 499 -4.865 9.231 2.305 1.00 61.14 C ATOM 0 H ALA A 499 -3.805 11.139 1.187 1.00 64.31 H new ATOM 0 HA ALA A 499 -6.017 9.581 0.562 1.00 42.15 H new ATOM 0 HB1 ALA A 499 -5.542 8.477 2.706 1.00 61.14 H new ATOM 0 HB2 ALA A 499 -4.072 8.742 1.738 1.00 61.14 H new ATOM 0 HB3 ALA A 499 -4.427 9.799 3.126 1.00 61.14 H new ATOM 789 N ILE A 500 -6.609 11.821 2.853 1.00 71.54 N ATOM 790 CA ILE A 500 -7.697 12.520 3.539 1.00 70.24 C ATOM 791 C ILE A 500 -8.450 13.468 2.589 1.00 21.01 C ATOM 792 O ILE A 500 -9.643 13.718 2.759 1.00 61.14 O ATOM 793 CB ILE A 500 -7.188 13.273 4.775 1.00 41.53 C ATOM 794 CG1 ILE A 500 -8.326 13.925 5.546 1.00 30.04 C ATOM 795 CG2 ILE A 500 -6.159 14.302 4.395 1.00 22.00 C ATOM 796 CD1 ILE A 500 -7.854 14.686 6.751 1.00 31.33 C ATOM 0 H ILE A 500 -5.686 12.225 3.011 1.00 71.54 H new ATOM 0 HA ILE A 500 -8.403 11.761 3.877 1.00 70.24 H new ATOM 0 HB ILE A 500 -6.720 12.537 5.428 1.00 41.53 H new ATOM 0 HG12 ILE A 500 -8.866 14.602 4.884 1.00 30.04 H new ATOM 0 HG13 ILE A 500 -9.032 13.157 5.861 1.00 30.04 H new ATOM 0 HG21 ILE A 500 -5.815 14.821 5.290 1.00 22.00 H new ATOM 0 HG22 ILE A 500 -5.314 13.811 3.913 1.00 22.00 H new ATOM 0 HG23 ILE A 500 -6.601 15.022 3.706 1.00 22.00 H new ATOM 0 HD11 ILE A 500 -8.710 15.129 7.260 1.00 31.33 H new ATOM 0 HD12 ILE A 500 -7.338 14.008 7.431 1.00 31.33 H new ATOM 0 HD13 ILE A 500 -7.170 15.475 6.438 1.00 31.33 H new ATOM 808 N GLN A 501 -7.733 13.977 1.593 1.00 1.33 N ATOM 809 CA GLN A 501 -8.247 14.886 0.613 1.00 13.11 C ATOM 810 C GLN A 501 -9.432 14.221 -0.100 1.00 33.15 C ATOM 811 O GLN A 501 -10.505 14.812 -0.221 1.00 44.31 O ATOM 812 CB GLN A 501 -7.077 15.177 -0.330 1.00 72.12 C ATOM 813 CG GLN A 501 -7.206 16.302 -1.321 1.00 33.41 C ATOM 814 CD GLN A 501 -8.223 16.078 -2.412 1.00 41.33 C ATOM 815 OE1 GLN A 501 -9.386 16.455 -2.289 1.00 74.13 O ATOM 816 NE2 GLN A 501 -7.807 15.440 -3.466 1.00 11.23 N ATOM 0 H GLN A 501 -6.748 13.752 1.454 1.00 1.33 H new ATOM 0 HA GLN A 501 -8.620 15.819 1.034 1.00 13.11 H new ATOM 0 HB2 GLN A 501 -6.200 15.378 0.285 1.00 72.12 H new ATOM 0 HB3 GLN A 501 -6.871 14.265 -0.891 1.00 72.12 H new ATOM 0 HG2 GLN A 501 -7.468 17.212 -0.782 1.00 33.41 H new ATOM 0 HG3 GLN A 501 -6.233 16.473 -1.782 1.00 33.41 H new ATOM 0 HE21 GLN A 501 -6.833 15.143 -3.531 1.00 11.23 H new ATOM 0 HE22 GLN A 501 -8.454 15.236 -4.227 1.00 11.23 H new ATOM 825 N ASP A 502 -9.248 12.992 -0.532 1.00 0.23 N ATOM 826 CA ASP A 502 -10.352 12.248 -1.133 1.00 61.03 C ATOM 827 C ASP A 502 -11.044 11.416 -0.100 1.00 53.15 C ATOM 828 O ASP A 502 -12.249 11.199 -0.174 1.00 53.44 O ATOM 829 CB ASP A 502 -9.928 11.361 -2.311 1.00 41.22 C ATOM 830 CG ASP A 502 -9.539 12.146 -3.548 1.00 13.12 C ATOM 831 OD1 ASP A 502 -10.468 12.531 -4.316 1.00 4.51 O ATOM 832 OD2 ASP A 502 -8.337 12.391 -3.771 1.00 22.10 O ATOM 0 H ASP A 502 -8.363 12.487 -0.483 1.00 0.23 H new ATOM 0 HA ASP A 502 -11.035 12.997 -1.534 1.00 61.03 H new ATOM 0 HB2 ASP A 502 -9.086 10.741 -2.004 1.00 41.22 H new ATOM 0 HB3 ASP A 502 -10.747 10.686 -2.561 1.00 41.22 H new ATOM 837 N GLY A 503 -10.278 10.958 0.884 1.00 23.40 N ATOM 838 CA GLY A 503 -10.818 10.118 1.932 1.00 44.42 C ATOM 839 C GLY A 503 -11.318 8.788 1.422 1.00 34.31 C ATOM 840 O GLY A 503 -12.222 8.186 1.999 1.00 34.31 O ATOM 0 H GLY A 503 -9.282 11.158 0.973 1.00 23.40 H new ATOM 0 HA2 GLY A 503 -10.049 9.946 2.685 1.00 44.42 H new ATOM 0 HA3 GLY A 503 -11.636 10.643 2.426 1.00 44.42 H new ATOM 844 N ARG A 504 -10.740 8.329 0.346 1.00 32.32 N ATOM 845 CA ARG A 504 -11.190 7.110 -0.279 1.00 63.13 C ATOM 846 C ARG A 504 -10.260 5.932 0.067 1.00 60.40 C ATOM 847 O ARG A 504 -10.649 4.776 -0.037 1.00 61.31 O ATOM 848 CB ARG A 504 -11.277 7.328 -1.796 1.00 43.32 C ATOM 849 CG ARG A 504 -11.862 6.169 -2.592 1.00 5.40 C ATOM 850 CD ARG A 504 -13.310 5.899 -2.254 1.00 71.41 C ATOM 851 NE ARG A 504 -13.846 4.812 -3.090 1.00 50.03 N ATOM 852 CZ ARG A 504 -14.987 4.142 -2.876 1.00 10.43 C ATOM 853 NH1 ARG A 504 -15.727 4.387 -1.798 1.00 44.22 N ATOM 854 NH2 ARG A 504 -15.376 3.207 -3.742 1.00 61.25 N ATOM 0 H ARG A 504 -9.953 8.781 -0.120 1.00 32.32 H new ATOM 0 HA ARG A 504 -12.179 6.854 0.101 1.00 63.13 H new ATOM 0 HB2 ARG A 504 -11.880 8.216 -1.984 1.00 43.32 H new ATOM 0 HB3 ARG A 504 -10.276 7.537 -2.174 1.00 43.32 H new ATOM 0 HG2 ARG A 504 -11.776 6.386 -3.657 1.00 5.40 H new ATOM 0 HG3 ARG A 504 -11.275 5.270 -2.401 1.00 5.40 H new ATOM 0 HD2 ARG A 504 -13.399 5.632 -1.201 1.00 71.41 H new ATOM 0 HD3 ARG A 504 -13.899 6.804 -2.404 1.00 71.41 H new ATOM 0 HE ARG A 504 -13.298 4.544 -3.908 1.00 50.03 H new ATOM 0 HH11 ARG A 504 -15.428 5.091 -1.123 1.00 44.22 H new ATOM 0 HH12 ARG A 504 -16.593 3.871 -1.646 1.00 44.22 H new ATOM 0 HH21 ARG A 504 -14.806 3.004 -4.563 1.00 61.25 H new ATOM 0 HH22 ARG A 504 -16.243 2.694 -3.584 1.00 61.25 H new ATOM 868 N LEU A 505 -9.052 6.235 0.500 1.00 32.33 N ATOM 869 CA LEU A 505 -8.077 5.200 0.817 1.00 72.51 C ATOM 870 C LEU A 505 -7.912 5.094 2.311 1.00 30.54 C ATOM 871 O LEU A 505 -8.094 6.080 3.023 1.00 2.24 O ATOM 872 CB LEU A 505 -6.727 5.527 0.183 1.00 55.50 C ATOM 873 CG LEU A 505 -5.621 4.483 0.352 1.00 11.43 C ATOM 874 CD1 LEU A 505 -5.995 3.172 -0.323 1.00 72.40 C ATOM 875 CD2 LEU A 505 -4.325 5.009 -0.193 1.00 24.55 C ATOM 0 H LEU A 505 -8.718 7.188 0.642 1.00 32.33 H new ATOM 0 HA LEU A 505 -8.437 4.251 0.419 1.00 72.51 H new ATOM 0 HB2 LEU A 505 -6.882 5.690 -0.884 1.00 55.50 H new ATOM 0 HB3 LEU A 505 -6.373 6.469 0.601 1.00 55.50 H new ATOM 0 HG LEU A 505 -5.499 4.285 1.417 1.00 11.43 H new ATOM 0 HD11 LEU A 505 -5.190 2.450 -0.186 1.00 72.40 H new ATOM 0 HD12 LEU A 505 -6.911 2.783 0.121 1.00 72.40 H new ATOM 0 HD13 LEU A 505 -6.152 3.343 -1.388 1.00 72.40 H new ATOM 0 HD21 LEU A 505 -3.546 4.257 -0.067 1.00 24.55 H new ATOM 0 HD22 LEU A 505 -4.442 5.237 -1.253 1.00 24.55 H new ATOM 0 HD23 LEU A 505 -4.045 5.915 0.344 1.00 24.55 H new ATOM 887 N LYS A 506 -7.569 3.912 2.788 1.00 12.44 N ATOM 888 CA LYS A 506 -7.378 3.699 4.193 1.00 33.35 C ATOM 889 C LYS A 506 -6.243 2.712 4.436 1.00 33.34 C ATOM 890 O LYS A 506 -5.876 1.958 3.538 1.00 0.50 O ATOM 891 CB LYS A 506 -8.678 3.293 4.918 1.00 72.32 C ATOM 892 CG LYS A 506 -9.309 1.921 4.546 1.00 35.45 C ATOM 893 CD LYS A 506 -9.756 1.805 3.076 1.00 61.31 C ATOM 894 CE LYS A 506 -10.816 2.843 2.692 1.00 50.11 C ATOM 895 NZ LYS A 506 -12.056 2.715 3.483 1.00 3.50 N ATOM 0 H LYS A 506 -7.418 3.085 2.210 1.00 12.44 H new ATOM 0 HA LYS A 506 -7.089 4.654 4.632 1.00 33.35 H new ATOM 0 HB2 LYS A 506 -8.479 3.292 5.990 1.00 72.32 H new ATOM 0 HB3 LYS A 506 -9.423 4.067 4.732 1.00 72.32 H new ATOM 0 HG2 LYS A 506 -8.586 1.133 4.757 1.00 35.45 H new ATOM 0 HG3 LYS A 506 -10.170 1.744 5.190 1.00 35.45 H new ATOM 0 HD2 LYS A 506 -8.888 1.922 2.427 1.00 61.31 H new ATOM 0 HD3 LYS A 506 -10.153 0.805 2.900 1.00 61.31 H new ATOM 0 HE2 LYS A 506 -10.405 3.843 2.829 1.00 50.11 H new ATOM 0 HE3 LYS A 506 -11.053 2.738 1.633 1.00 50.11 H new ATOM 0 HZ1 LYS A 506 -12.761 3.396 3.136 1.00 3.50 H new ATOM 0 HZ2 LYS A 506 -12.431 1.750 3.387 1.00 3.50 H new ATOM 0 HZ3 LYS A 506 -11.851 2.909 4.484 1.00 3.50 H new ATOM 909 N ALA A 507 -5.694 2.733 5.632 1.00 71.32 N ATOM 910 CA ALA A 507 -4.534 1.938 5.965 1.00 61.01 C ATOM 911 C ALA A 507 -4.920 0.594 6.527 1.00 62.13 C ATOM 912 O ALA A 507 -6.091 0.360 6.868 1.00 3.42 O ATOM 913 CB ALA A 507 -3.652 2.685 6.949 1.00 43.44 C ATOM 0 H ALA A 507 -6.042 3.304 6.402 1.00 71.32 H new ATOM 0 HA ALA A 507 -3.978 1.763 5.044 1.00 61.01 H new ATOM 0 HB1 ALA A 507 -2.781 2.076 7.192 1.00 43.44 H new ATOM 0 HB2 ALA A 507 -3.325 3.624 6.504 1.00 43.44 H new ATOM 0 HB3 ALA A 507 -4.216 2.892 7.859 1.00 43.44 H new ATOM 919 N GLY A 508 -3.934 -0.287 6.625 1.00 11.12 N ATOM 920 CA GLY A 508 -4.157 -1.615 7.140 1.00 21.13 C ATOM 921 C GLY A 508 -4.573 -2.583 6.058 1.00 42.33 C ATOM 922 O GLY A 508 -5.026 -3.691 6.354 1.00 54.00 O ATOM 0 H GLY A 508 -2.970 -0.097 6.351 1.00 11.12 H new ATOM 0 HA2 GLY A 508 -3.246 -1.976 7.617 1.00 21.13 H new ATOM 0 HA3 GLY A 508 -4.928 -1.580 7.910 1.00 21.13 H new ATOM 926 N ASP A 509 -4.413 -2.176 4.818 1.00 73.51 N ATOM 927 CA ASP A 509 -4.802 -2.993 3.677 1.00 31.03 C ATOM 928 C ASP A 509 -3.547 -3.247 2.839 1.00 13.42 C ATOM 929 O ASP A 509 -2.464 -2.724 3.177 1.00 0.40 O ATOM 930 CB ASP A 509 -5.866 -2.248 2.856 1.00 54.40 C ATOM 931 CG ASP A 509 -6.698 -3.179 2.004 1.00 0.42 C ATOM 932 OD1 ASP A 509 -6.225 -3.620 0.953 1.00 63.23 O ATOM 933 OD2 ASP A 509 -7.849 -3.506 2.436 1.00 44.13 O ATOM 0 H ASP A 509 -4.011 -1.273 4.567 1.00 73.51 H new ATOM 0 HA ASP A 509 -5.228 -3.943 3.999 1.00 31.03 H new ATOM 0 HB2 ASP A 509 -6.520 -1.697 3.531 1.00 54.40 H new ATOM 0 HB3 ASP A 509 -5.377 -1.514 2.215 1.00 54.40 H new ATOM 938 N ARG A 510 -3.662 -3.998 1.771 1.00 43.34 N ATOM 939 CA ARG A 510 -2.510 -4.330 0.957 1.00 21.35 C ATOM 940 C ARG A 510 -2.491 -3.506 -0.291 1.00 21.31 C ATOM 941 O ARG A 510 -3.493 -3.383 -0.966 1.00 22.50 O ATOM 942 CB ARG A 510 -2.469 -5.822 0.581 1.00 31.33 C ATOM 943 CG ARG A 510 -1.271 -6.173 -0.307 1.00 61.40 C ATOM 944 CD ARG A 510 -1.277 -7.609 -0.771 1.00 33.22 C ATOM 945 NE ARG A 510 -1.146 -8.535 0.343 1.00 74.14 N ATOM 946 CZ ARG A 510 -1.701 -9.741 0.421 1.00 14.32 C ATOM 947 NH1 ARG A 510 -2.422 -10.224 -0.588 1.00 21.10 N ATOM 948 NH2 ARG A 510 -1.515 -10.468 1.502 1.00 34.50 N ATOM 0 H ARG A 510 -4.543 -4.394 1.442 1.00 43.34 H new ATOM 0 HA ARG A 510 -1.629 -4.109 1.560 1.00 21.35 H new ATOM 0 HB2 ARG A 510 -2.430 -6.421 1.491 1.00 31.33 H new ATOM 0 HB3 ARG A 510 -3.391 -6.088 0.063 1.00 31.33 H new ATOM 0 HG2 ARG A 510 -1.267 -5.517 -1.177 1.00 61.40 H new ATOM 0 HG3 ARG A 510 -0.350 -5.979 0.243 1.00 61.40 H new ATOM 0 HD2 ARG A 510 -2.203 -7.814 -1.308 1.00 33.22 H new ATOM 0 HD3 ARG A 510 -0.459 -7.768 -1.474 1.00 33.22 H new ATOM 0 HE ARG A 510 -0.578 -8.233 1.135 1.00 74.14 H new ATOM 0 HH11 ARG A 510 -2.554 -9.668 -1.433 1.00 21.10 H new ATOM 0 HH12 ARG A 510 -2.843 -11.150 -0.517 1.00 21.10 H new ATOM 0 HH21 ARG A 510 -0.950 -10.105 2.270 1.00 34.50 H new ATOM 0 HH22 ARG A 510 -1.936 -11.394 1.572 1.00 34.50 H new ATOM 962 N LEU A 511 -1.353 -2.958 -0.605 1.00 53.43 N ATOM 963 CA LEU A 511 -1.210 -2.206 -1.770 1.00 44.15 C ATOM 964 C LEU A 511 -0.637 -3.117 -2.866 1.00 71.51 C ATOM 965 O LEU A 511 0.462 -3.654 -2.729 1.00 52.34 O ATOM 966 CB LEU A 511 -0.300 -1.029 -1.499 1.00 33.53 C ATOM 967 CG LEU A 511 -0.287 0.030 -2.564 1.00 72.24 C ATOM 968 CD1 LEU A 511 -1.689 0.563 -2.760 1.00 61.20 C ATOM 969 CD2 LEU A 511 0.658 1.137 -2.175 1.00 33.20 C ATOM 0 H LEU A 511 -0.506 -3.034 -0.042 1.00 53.43 H new ATOM 0 HA LEU A 511 -2.172 -1.815 -2.102 1.00 44.15 H new ATOM 0 HB2 LEU A 511 -0.598 -0.570 -0.557 1.00 33.53 H new ATOM 0 HB3 LEU A 511 0.716 -1.400 -1.366 1.00 33.53 H new ATOM 0 HG LEU A 511 0.059 -0.399 -3.504 1.00 72.24 H new ATOM 0 HD11 LEU A 511 -1.681 1.332 -3.533 1.00 61.20 H new ATOM 0 HD12 LEU A 511 -2.348 -0.250 -3.064 1.00 61.20 H new ATOM 0 HD13 LEU A 511 -2.049 0.992 -1.825 1.00 61.20 H new ATOM 0 HD21 LEU A 511 0.662 1.901 -2.952 1.00 33.20 H new ATOM 0 HD22 LEU A 511 0.333 1.579 -1.233 1.00 33.20 H new ATOM 0 HD23 LEU A 511 1.663 0.733 -2.058 1.00 33.20 H new ATOM 981 N ILE A 512 -1.398 -3.318 -3.916 1.00 44.54 N ATOM 982 CA ILE A 512 -1.001 -4.215 -5.011 1.00 61.24 C ATOM 983 C ILE A 512 -0.429 -3.413 -6.164 1.00 73.04 C ATOM 984 O ILE A 512 0.506 -3.851 -6.846 1.00 53.14 O ATOM 985 CB ILE A 512 -2.198 -5.119 -5.527 1.00 65.24 C ATOM 986 CG1 ILE A 512 -2.700 -6.127 -4.480 1.00 41.33 C ATOM 987 CG2 ILE A 512 -1.855 -5.854 -6.807 1.00 22.24 C ATOM 988 CD1 ILE A 512 -3.332 -5.530 -3.271 1.00 71.24 C ATOM 0 H ILE A 512 -2.307 -2.874 -4.049 1.00 44.54 H new ATOM 0 HA ILE A 512 -0.240 -4.884 -4.610 1.00 61.24 H new ATOM 0 HB ILE A 512 -3.006 -4.415 -5.726 1.00 65.24 H new ATOM 0 HG12 ILE A 512 -3.422 -6.791 -4.956 1.00 41.33 H new ATOM 0 HG13 ILE A 512 -1.860 -6.745 -4.163 1.00 41.33 H new ATOM 0 HG21 ILE A 512 -2.707 -6.459 -7.119 1.00 22.24 H new ATOM 0 HG22 ILE A 512 -1.617 -5.132 -7.588 1.00 22.24 H new ATOM 0 HG23 ILE A 512 -0.994 -6.501 -6.636 1.00 22.24 H new ATOM 0 HD11 ILE A 512 -3.651 -6.325 -2.597 1.00 71.24 H new ATOM 0 HD12 ILE A 512 -2.611 -4.890 -2.762 1.00 71.24 H new ATOM 0 HD13 ILE A 512 -4.197 -4.937 -3.568 1.00 71.24 H new ATOM 1000 N GLU A 513 -0.975 -2.253 -6.369 1.00 64.35 N ATOM 1001 CA GLU A 513 -0.525 -1.380 -7.407 1.00 22.00 C ATOM 1002 C GLU A 513 -0.750 0.051 -7.025 1.00 34.40 C ATOM 1003 O GLU A 513 -1.717 0.385 -6.344 1.00 24.53 O ATOM 1004 CB GLU A 513 -1.200 -1.739 -8.756 1.00 30.31 C ATOM 1005 CG GLU A 513 -1.032 -0.729 -9.878 1.00 10.31 C ATOM 1006 CD GLU A 513 -1.661 -1.188 -11.167 1.00 53.11 C ATOM 1007 OE1 GLU A 513 -2.885 -1.005 -11.346 1.00 34.00 O ATOM 1008 OE2 GLU A 513 -0.952 -1.741 -12.025 1.00 12.22 O ATOM 0 H GLU A 513 -1.750 -1.885 -5.817 1.00 64.35 H new ATOM 0 HA GLU A 513 0.548 -1.514 -7.540 1.00 22.00 H new ATOM 0 HB2 GLU A 513 -0.803 -2.696 -9.094 1.00 30.31 H new ATOM 0 HB3 GLU A 513 -2.266 -1.881 -8.579 1.00 30.31 H new ATOM 0 HG2 GLU A 513 -1.477 0.220 -9.578 1.00 10.31 H new ATOM 0 HG3 GLU A 513 0.030 -0.545 -10.041 1.00 10.31 H new ATOM 1015 N VAL A 514 0.154 0.879 -7.434 1.00 42.41 N ATOM 1016 CA VAL A 514 0.060 2.280 -7.256 1.00 33.11 C ATOM 1017 C VAL A 514 0.443 2.949 -8.551 1.00 14.23 C ATOM 1018 O VAL A 514 1.501 2.685 -9.130 1.00 54.23 O ATOM 1019 CB VAL A 514 0.863 2.810 -6.020 1.00 2.14 C ATOM 1020 CG1 VAL A 514 2.236 2.278 -6.029 1.00 63.02 C ATOM 1021 CG2 VAL A 514 0.920 4.326 -5.993 1.00 62.03 C ATOM 0 H VAL A 514 1.003 0.584 -7.916 1.00 42.41 H new ATOM 0 HA VAL A 514 -0.971 2.537 -7.014 1.00 33.11 H new ATOM 0 HB VAL A 514 0.338 2.467 -5.128 1.00 2.14 H new ATOM 0 HG11 VAL A 514 2.779 2.657 -5.163 1.00 63.02 H new ATOM 0 HG12 VAL A 514 2.205 1.189 -5.990 1.00 63.02 H new ATOM 0 HG13 VAL A 514 2.742 2.594 -6.941 1.00 63.02 H new ATOM 0 HG21 VAL A 514 1.486 4.653 -5.121 1.00 62.03 H new ATOM 0 HG22 VAL A 514 1.408 4.688 -6.898 1.00 62.03 H new ATOM 0 HG23 VAL A 514 -0.092 4.727 -5.941 1.00 62.03 H new ATOM 1031 N ASN A 515 -0.472 3.734 -9.013 1.00 62.11 N ATOM 1032 CA ASN A 515 -0.463 4.450 -10.250 1.00 52.34 C ATOM 1033 C ASN A 515 -0.623 3.502 -11.440 1.00 63.43 C ATOM 1034 O ASN A 515 -1.653 3.530 -12.128 1.00 13.40 O ATOM 1035 CB ASN A 515 0.738 5.375 -10.390 1.00 64.50 C ATOM 1036 CG ASN A 515 0.467 6.419 -11.411 1.00 14.21 C ATOM 1037 OD1 ASN A 515 0.758 6.265 -12.593 1.00 71.42 O ATOM 1038 ND2 ASN A 515 -0.110 7.499 -10.954 1.00 63.43 N ATOM 0 H ASN A 515 -1.327 3.908 -8.485 1.00 62.11 H new ATOM 0 HA ASN A 515 -1.332 5.108 -10.244 1.00 52.34 H new ATOM 0 HB2 ASN A 515 0.959 5.843 -9.431 1.00 64.50 H new ATOM 0 HB3 ASN A 515 1.619 4.799 -10.674 1.00 64.50 H new ATOM 0 HD21 ASN A 515 -0.339 8.263 -11.590 1.00 63.43 H new ATOM 0 HD22 ASN A 515 -0.331 7.578 -9.961 1.00 63.43 H new ATOM 1045 N GLY A 516 0.356 2.662 -11.657 1.00 5.21 N ATOM 1046 CA GLY A 516 0.297 1.703 -12.736 1.00 60.33 C ATOM 1047 C GLY A 516 1.464 0.758 -12.696 1.00 64.42 C ATOM 1048 O GLY A 516 1.915 0.264 -13.731 1.00 61.41 O ATOM 0 H GLY A 516 1.209 2.621 -11.099 1.00 5.21 H new ATOM 0 HA2 GLY A 516 -0.633 1.138 -12.672 1.00 60.33 H new ATOM 0 HA3 GLY A 516 0.285 2.228 -13.691 1.00 60.33 H new ATOM 1052 N VAL A 517 1.963 0.512 -11.501 1.00 15.40 N ATOM 1053 CA VAL A 517 3.122 -0.352 -11.306 1.00 34.44 C ATOM 1054 C VAL A 517 2.767 -1.504 -10.376 1.00 21.44 C ATOM 1055 O VAL A 517 2.084 -1.296 -9.367 1.00 4.20 O ATOM 1056 CB VAL A 517 4.323 0.450 -10.719 1.00 74.25 C ATOM 1057 CG1 VAL A 517 5.543 -0.434 -10.490 1.00 65.11 C ATOM 1058 CG2 VAL A 517 4.681 1.609 -11.628 1.00 23.32 C ATOM 0 H VAL A 517 1.582 0.901 -10.638 1.00 15.40 H new ATOM 0 HA VAL A 517 3.415 -0.750 -12.277 1.00 34.44 H new ATOM 0 HB VAL A 517 4.010 0.837 -9.749 1.00 74.25 H new ATOM 0 HG11 VAL A 517 6.355 0.166 -10.080 1.00 65.11 H new ATOM 0 HG12 VAL A 517 5.290 -1.229 -9.789 1.00 65.11 H new ATOM 0 HG13 VAL A 517 5.858 -0.872 -11.437 1.00 65.11 H new ATOM 0 HG21 VAL A 517 5.521 2.158 -11.203 1.00 23.32 H new ATOM 0 HG22 VAL A 517 4.956 1.228 -12.612 1.00 23.32 H new ATOM 0 HG23 VAL A 517 3.823 2.275 -11.724 1.00 23.32 H new ATOM 1068 N ASP A 518 3.249 -2.700 -10.698 1.00 11.01 N ATOM 1069 CA ASP A 518 2.967 -3.875 -9.895 1.00 45.34 C ATOM 1070 C ASP A 518 3.933 -3.913 -8.748 1.00 42.12 C ATOM 1071 O ASP A 518 5.147 -3.765 -8.938 1.00 41.31 O ATOM 1072 CB ASP A 518 3.049 -5.181 -10.705 1.00 4.15 C ATOM 1073 CG ASP A 518 2.020 -5.290 -11.812 1.00 43.13 C ATOM 1074 OD1 ASP A 518 0.854 -5.663 -11.533 1.00 44.02 O ATOM 1075 OD2 ASP A 518 2.366 -5.035 -12.988 1.00 44.12 O ATOM 0 H ASP A 518 3.838 -2.877 -11.512 1.00 11.01 H new ATOM 0 HA ASP A 518 1.942 -3.801 -9.533 1.00 45.34 H new ATOM 0 HB2 ASP A 518 4.045 -5.264 -11.140 1.00 4.15 H new ATOM 0 HB3 ASP A 518 2.927 -6.025 -10.026 1.00 4.15 H new ATOM 1080 N LEU A 519 3.414 -4.096 -7.574 1.00 13.34 N ATOM 1081 CA LEU A 519 4.213 -4.004 -6.372 1.00 22.22 C ATOM 1082 C LEU A 519 4.589 -5.341 -5.847 1.00 64.10 C ATOM 1083 O LEU A 519 5.680 -5.524 -5.312 1.00 45.41 O ATOM 1084 CB LEU A 519 3.420 -3.322 -5.309 1.00 32.21 C ATOM 1085 CG LEU A 519 2.801 -2.020 -5.684 1.00 74.10 C ATOM 1086 CD1 LEU A 519 2.080 -1.467 -4.499 1.00 51.15 C ATOM 1087 CD2 LEU A 519 3.838 -1.065 -6.206 1.00 64.23 C ATOM 0 H LEU A 519 2.431 -4.313 -7.412 1.00 13.34 H new ATOM 0 HA LEU A 519 5.118 -3.452 -6.628 1.00 22.22 H new ATOM 0 HB2 LEU A 519 2.628 -3.997 -4.986 1.00 32.21 H new ATOM 0 HB3 LEU A 519 4.069 -3.158 -4.449 1.00 32.21 H new ATOM 0 HG LEU A 519 2.083 -2.172 -6.490 1.00 74.10 H new ATOM 0 HD11 LEU A 519 1.623 -0.513 -4.763 1.00 51.15 H new ATOM 0 HD12 LEU A 519 1.305 -2.166 -4.186 1.00 51.15 H new ATOM 0 HD13 LEU A 519 2.785 -1.317 -3.681 1.00 51.15 H new ATOM 0 HD21 LEU A 519 3.362 -0.122 -6.473 1.00 64.23 H new ATOM 0 HD22 LEU A 519 4.589 -0.887 -5.436 1.00 64.23 H new ATOM 0 HD23 LEU A 519 4.316 -1.493 -7.087 1.00 64.23 H new ATOM 1099 N VAL A 520 3.686 -6.269 -5.983 1.00 22.21 N ATOM 1100 CA VAL A 520 3.853 -7.578 -5.434 1.00 24.03 C ATOM 1101 C VAL A 520 4.930 -8.338 -6.202 1.00 60.23 C ATOM 1102 O VAL A 520 4.673 -8.971 -7.230 1.00 24.44 O ATOM 1103 CB VAL A 520 2.500 -8.332 -5.396 1.00 55.41 C ATOM 1104 CG1 VAL A 520 2.644 -9.715 -4.778 1.00 55.25 C ATOM 1105 CG2 VAL A 520 1.468 -7.496 -4.623 1.00 20.13 C ATOM 0 H VAL A 520 2.807 -6.134 -6.483 1.00 22.21 H new ATOM 0 HA VAL A 520 4.193 -7.496 -4.402 1.00 24.03 H new ATOM 0 HB VAL A 520 2.157 -8.473 -6.421 1.00 55.41 H new ATOM 0 HG11 VAL A 520 1.674 -10.212 -4.769 1.00 55.25 H new ATOM 0 HG12 VAL A 520 3.349 -10.304 -5.365 1.00 55.25 H new ATOM 0 HG13 VAL A 520 3.013 -9.621 -3.757 1.00 55.25 H new ATOM 0 HG21 VAL A 520 0.516 -8.027 -4.596 1.00 20.13 H new ATOM 0 HG22 VAL A 520 1.821 -7.333 -3.605 1.00 20.13 H new ATOM 0 HG23 VAL A 520 1.334 -6.535 -5.119 1.00 20.13 H new ATOM 1115 N GLY A 521 6.142 -8.180 -5.732 1.00 32.43 N ATOM 1116 CA GLY A 521 7.291 -8.760 -6.348 1.00 23.01 C ATOM 1117 C GLY A 521 8.498 -7.866 -6.149 1.00 14.52 C ATOM 1118 O GLY A 521 9.624 -8.346 -6.000 1.00 53.50 O ATOM 0 H GLY A 521 6.353 -7.634 -4.896 1.00 32.43 H new ATOM 0 HA2 GLY A 521 7.484 -9.744 -5.921 1.00 23.01 H new ATOM 0 HA3 GLY A 521 7.108 -8.905 -7.413 1.00 23.01 H new ATOM 1122 N LYS A 522 8.257 -6.561 -6.113 1.00 73.41 N ATOM 1123 CA LYS A 522 9.320 -5.593 -5.923 1.00 64.35 C ATOM 1124 C LYS A 522 9.488 -5.192 -4.457 1.00 11.43 C ATOM 1125 O LYS A 522 8.823 -5.734 -3.570 1.00 31.24 O ATOM 1126 CB LYS A 522 9.182 -4.362 -6.852 1.00 75.24 C ATOM 1127 CG LYS A 522 7.857 -3.606 -6.811 1.00 11.40 C ATOM 1128 CD LYS A 522 7.936 -2.230 -7.516 1.00 50.33 C ATOM 1129 CE LYS A 522 8.241 -2.284 -9.037 1.00 61.35 C ATOM 1130 NZ LYS A 522 9.602 -2.793 -9.380 1.00 53.10 N ATOM 0 H LYS A 522 7.328 -6.151 -6.214 1.00 73.41 H new ATOM 0 HA LYS A 522 10.241 -6.097 -6.217 1.00 64.35 H new ATOM 0 HB2 LYS A 522 9.979 -3.661 -6.605 1.00 75.24 H new ATOM 0 HB3 LYS A 522 9.352 -4.691 -7.877 1.00 75.24 H new ATOM 0 HG2 LYS A 522 7.083 -4.210 -7.286 1.00 11.40 H new ATOM 0 HG3 LYS A 522 7.557 -3.462 -5.773 1.00 11.40 H new ATOM 0 HD2 LYS A 522 6.989 -1.710 -7.370 1.00 50.33 H new ATOM 0 HD3 LYS A 522 8.707 -1.633 -7.028 1.00 50.33 H new ATOM 0 HE2 LYS A 522 7.498 -2.918 -9.521 1.00 61.35 H new ATOM 0 HE3 LYS A 522 8.126 -1.283 -9.453 1.00 61.35 H new ATOM 0 HZ1 LYS A 522 9.987 -2.246 -10.177 1.00 53.10 H new ATOM 0 HZ2 LYS A 522 10.228 -2.692 -8.556 1.00 53.10 H new ATOM 0 HZ3 LYS A 522 9.540 -3.796 -9.647 1.00 53.10 H new ATOM 1144 N SER A 523 10.403 -4.279 -4.212 1.00 63.14 N ATOM 1145 CA SER A 523 10.754 -3.854 -2.874 1.00 11.32 C ATOM 1146 C SER A 523 9.981 -2.594 -2.471 1.00 75.32 C ATOM 1147 O SER A 523 9.565 -1.812 -3.326 1.00 41.41 O ATOM 1148 CB SER A 523 12.241 -3.543 -2.869 1.00 32.40 C ATOM 1149 OG SER A 523 12.964 -4.572 -3.544 1.00 0.33 O ATOM 0 H SER A 523 10.930 -3.805 -4.945 1.00 63.14 H new ATOM 0 HA SER A 523 10.504 -4.644 -2.165 1.00 11.32 H new ATOM 0 HB2 SER A 523 12.421 -2.584 -3.355 1.00 32.40 H new ATOM 0 HB3 SER A 523 12.597 -3.452 -1.843 1.00 32.40 H new ATOM 0 HG SER A 523 12.911 -4.428 -4.512 1.00 0.33 H new ATOM 1155 N GLN A 524 9.832 -2.397 -1.162 1.00 22.41 N ATOM 1156 CA GLN A 524 9.150 -1.226 -0.581 1.00 13.32 C ATOM 1157 C GLN A 524 9.780 0.072 -1.060 1.00 12.51 C ATOM 1158 O GLN A 524 9.079 0.986 -1.454 1.00 43.02 O ATOM 1159 CB GLN A 524 9.226 -1.297 0.940 1.00 53.11 C ATOM 1160 CG GLN A 524 8.450 -2.449 1.542 1.00 53.14 C ATOM 1161 CD GLN A 524 6.950 -2.199 1.690 1.00 41.40 C ATOM 1162 OE1 GLN A 524 6.158 -3.106 1.601 1.00 34.51 O ATOM 1163 NE2 GLN A 524 6.572 -1.007 2.014 1.00 14.14 N ATOM 0 H GLN A 524 10.183 -3.050 -0.461 1.00 22.41 H new ATOM 0 HA GLN A 524 8.109 -1.241 -0.905 1.00 13.32 H new ATOM 0 HB2 GLN A 524 10.271 -1.381 1.238 1.00 53.11 H new ATOM 0 HB3 GLN A 524 8.850 -0.362 1.356 1.00 53.11 H new ATOM 0 HG2 GLN A 524 8.598 -3.333 0.921 1.00 53.14 H new ATOM 0 HG3 GLN A 524 8.866 -2.676 2.524 1.00 53.14 H new ATOM 0 HE21 GLN A 524 7.258 -0.256 2.083 1.00 14.14 H new ATOM 0 HE22 GLN A 524 5.587 -0.817 2.200 1.00 14.14 H new ATOM 1172 N GLU A 525 11.106 0.138 -1.027 1.00 52.54 N ATOM 1173 CA GLU A 525 11.848 1.328 -1.460 1.00 30.43 C ATOM 1174 C GLU A 525 11.536 1.700 -2.911 1.00 71.13 C ATOM 1175 O GLU A 525 11.535 2.878 -3.282 1.00 5.31 O ATOM 1176 CB GLU A 525 13.370 1.193 -1.254 1.00 13.40 C ATOM 1177 CG GLU A 525 13.825 0.977 0.197 1.00 41.30 C ATOM 1178 CD GLU A 525 13.555 -0.415 0.730 1.00 70.42 C ATOM 1179 OE1 GLU A 525 12.435 -0.690 1.192 1.00 61.33 O ATOM 1180 OE2 GLU A 525 14.470 -1.251 0.686 1.00 0.14 O ATOM 0 H GLU A 525 11.700 -0.625 -0.702 1.00 52.54 H new ATOM 0 HA GLU A 525 11.505 2.138 -0.817 1.00 30.43 H new ATOM 0 HB2 GLU A 525 13.728 0.358 -1.857 1.00 13.40 H new ATOM 0 HB3 GLU A 525 13.852 2.092 -1.637 1.00 13.40 H new ATOM 0 HG2 GLU A 525 14.894 1.179 0.265 1.00 41.30 H new ATOM 0 HG3 GLU A 525 13.322 1.703 0.836 1.00 41.30 H new ATOM 1187 N GLU A 526 11.258 0.698 -3.715 1.00 43.23 N ATOM 1188 CA GLU A 526 10.892 0.911 -5.096 1.00 1.45 C ATOM 1189 C GLU A 526 9.520 1.551 -5.177 1.00 52.02 C ATOM 1190 O GLU A 526 9.264 2.409 -6.025 1.00 23.21 O ATOM 1191 CB GLU A 526 10.874 -0.405 -5.843 1.00 25.12 C ATOM 1192 CG GLU A 526 12.216 -1.086 -5.956 1.00 22.51 C ATOM 1193 CD GLU A 526 12.099 -2.381 -6.693 1.00 1.04 C ATOM 1194 OE1 GLU A 526 11.837 -2.349 -7.914 1.00 21.32 O ATOM 1195 OE2 GLU A 526 12.210 -3.449 -6.057 1.00 51.51 O ATOM 0 H GLU A 526 11.279 -0.282 -3.432 1.00 43.23 H new ATOM 0 HA GLU A 526 11.630 1.572 -5.551 1.00 1.45 H new ATOM 0 HB2 GLU A 526 10.180 -1.081 -5.343 1.00 25.12 H new ATOM 0 HB3 GLU A 526 10.484 -0.232 -6.846 1.00 25.12 H new ATOM 0 HG2 GLU A 526 12.918 -0.431 -6.473 1.00 22.51 H new ATOM 0 HG3 GLU A 526 12.622 -1.265 -4.960 1.00 22.51 H new ATOM 1202 N VAL A 527 8.654 1.135 -4.286 1.00 32.10 N ATOM 1203 CA VAL A 527 7.295 1.618 -4.242 1.00 20.21 C ATOM 1204 C VAL A 527 7.268 3.022 -3.641 1.00 11.21 C ATOM 1205 O VAL A 527 6.492 3.866 -4.065 1.00 22.15 O ATOM 1206 CB VAL A 527 6.385 0.701 -3.381 1.00 43.22 C ATOM 1207 CG1 VAL A 527 4.913 1.079 -3.527 1.00 70.41 C ATOM 1208 CG2 VAL A 527 6.620 -0.779 -3.665 1.00 41.41 C ATOM 0 H VAL A 527 8.873 0.447 -3.566 1.00 32.10 H new ATOM 0 HA VAL A 527 6.918 1.625 -5.265 1.00 20.21 H new ATOM 0 HB VAL A 527 6.664 0.865 -2.340 1.00 43.22 H new ATOM 0 HG11 VAL A 527 4.305 0.417 -2.911 1.00 70.41 H new ATOM 0 HG12 VAL A 527 4.768 2.110 -3.204 1.00 70.41 H new ATOM 0 HG13 VAL A 527 4.614 0.980 -4.570 1.00 70.41 H new ATOM 0 HG21 VAL A 527 5.960 -1.379 -3.038 1.00 41.41 H new ATOM 0 HG22 VAL A 527 6.411 -0.986 -4.715 1.00 41.41 H new ATOM 0 HG23 VAL A 527 7.657 -1.031 -3.445 1.00 41.41 H new ATOM 1218 N VAL A 528 8.138 3.276 -2.659 1.00 72.12 N ATOM 1219 CA VAL A 528 8.144 4.585 -2.006 1.00 34.33 C ATOM 1220 C VAL A 528 8.545 5.675 -2.976 1.00 3.34 C ATOM 1221 O VAL A 528 7.954 6.725 -2.984 1.00 25.51 O ATOM 1222 CB VAL A 528 8.999 4.674 -0.700 1.00 25.54 C ATOM 1223 CG1 VAL A 528 8.609 3.622 0.314 1.00 63.54 C ATOM 1224 CG2 VAL A 528 10.498 4.690 -0.948 1.00 3.30 C ATOM 0 H VAL A 528 8.828 2.613 -2.307 1.00 72.12 H new ATOM 0 HA VAL A 528 7.113 4.735 -1.684 1.00 34.33 H new ATOM 0 HB VAL A 528 8.761 5.647 -0.270 1.00 25.54 H new ATOM 0 HG11 VAL A 528 9.231 3.725 1.203 1.00 63.54 H new ATOM 0 HG12 VAL A 528 7.562 3.751 0.587 1.00 63.54 H new ATOM 0 HG13 VAL A 528 8.753 2.631 -0.116 1.00 63.54 H new ATOM 0 HG21 VAL A 528 11.024 4.753 0.005 1.00 3.30 H new ATOM 0 HG22 VAL A 528 10.791 3.776 -1.464 1.00 3.30 H new ATOM 0 HG23 VAL A 528 10.756 5.553 -1.562 1.00 3.30 H new ATOM 1234 N SER A 529 9.526 5.391 -3.812 1.00 21.34 N ATOM 1235 CA SER A 529 9.983 6.340 -4.829 1.00 43.24 C ATOM 1236 C SER A 529 8.811 6.687 -5.763 1.00 10.54 C ATOM 1237 O SER A 529 8.539 7.865 -6.060 1.00 32.25 O ATOM 1238 CB SER A 529 11.150 5.727 -5.620 1.00 44.13 C ATOM 1239 OG SER A 529 11.653 6.624 -6.591 1.00 15.15 O ATOM 0 H SER A 529 10.030 4.504 -3.812 1.00 21.34 H new ATOM 0 HA SER A 529 10.334 7.256 -4.353 1.00 43.24 H new ATOM 0 HB2 SER A 529 11.949 5.449 -4.933 1.00 44.13 H new ATOM 0 HB3 SER A 529 10.817 4.811 -6.109 1.00 44.13 H new ATOM 0 HG SER A 529 12.394 6.202 -7.073 1.00 15.15 H new ATOM 1245 N LEU A 530 8.107 5.651 -6.153 1.00 14.21 N ATOM 1246 CA LEU A 530 6.935 5.710 -6.982 1.00 12.43 C ATOM 1247 C LEU A 530 5.831 6.549 -6.296 1.00 3.34 C ATOM 1248 O LEU A 530 5.133 7.344 -6.938 1.00 22.15 O ATOM 1249 CB LEU A 530 6.522 4.250 -7.193 1.00 72.43 C ATOM 1250 CG LEU A 530 5.184 3.921 -7.811 1.00 62.20 C ATOM 1251 CD1 LEU A 530 5.027 4.508 -9.189 1.00 54.22 C ATOM 1252 CD2 LEU A 530 5.028 2.424 -7.867 1.00 54.35 C ATOM 0 H LEU A 530 8.352 4.698 -5.885 1.00 14.21 H new ATOM 0 HA LEU A 530 7.117 6.200 -7.939 1.00 12.43 H new ATOM 0 HB2 LEU A 530 7.288 3.784 -7.813 1.00 72.43 H new ATOM 0 HB3 LEU A 530 6.558 3.760 -6.220 1.00 72.43 H new ATOM 0 HG LEU A 530 4.406 4.364 -7.189 1.00 62.20 H new ATOM 0 HD11 LEU A 530 4.048 4.242 -9.588 1.00 54.22 H new ATOM 0 HD12 LEU A 530 5.114 5.593 -9.134 1.00 54.22 H new ATOM 0 HD13 LEU A 530 5.805 4.114 -9.843 1.00 54.22 H new ATOM 0 HD21 LEU A 530 4.065 2.175 -8.312 1.00 54.35 H new ATOM 0 HD22 LEU A 530 5.828 1.997 -8.472 1.00 54.35 H new ATOM 0 HD23 LEU A 530 5.078 2.015 -6.858 1.00 54.35 H new ATOM 1264 N LEU A 531 5.725 6.389 -4.992 1.00 63.42 N ATOM 1265 CA LEU A 531 4.758 7.096 -4.178 1.00 40.13 C ATOM 1266 C LEU A 531 5.138 8.589 -4.086 1.00 63.35 C ATOM 1267 O LEU A 531 4.304 9.482 -4.310 1.00 3.44 O ATOM 1268 CB LEU A 531 4.792 6.510 -2.762 1.00 12.54 C ATOM 1269 CG LEU A 531 3.696 6.960 -1.824 1.00 44.01 C ATOM 1270 CD1 LEU A 531 2.401 6.262 -2.164 1.00 42.24 C ATOM 1271 CD2 LEU A 531 4.077 6.742 -0.375 1.00 52.43 C ATOM 0 H LEU A 531 6.319 5.753 -4.460 1.00 63.42 H new ATOM 0 HA LEU A 531 3.768 6.994 -4.623 1.00 40.13 H new ATOM 0 HB2 LEU A 531 4.750 5.424 -2.840 1.00 12.54 H new ATOM 0 HB3 LEU A 531 5.752 6.761 -2.311 1.00 12.54 H new ATOM 0 HG LEU A 531 3.554 8.033 -1.956 1.00 44.01 H new ATOM 0 HD11 LEU A 531 1.619 6.594 -1.482 1.00 42.24 H new ATOM 0 HD12 LEU A 531 2.116 6.503 -3.188 1.00 42.24 H new ATOM 0 HD13 LEU A 531 2.533 5.184 -2.068 1.00 42.24 H new ATOM 0 HD21 LEU A 531 3.264 7.077 0.269 1.00 52.43 H new ATOM 0 HD22 LEU A 531 4.262 5.682 -0.203 1.00 52.43 H new ATOM 0 HD23 LEU A 531 4.979 7.310 -0.147 1.00 52.43 H new ATOM 1283 N ARG A 532 6.418 8.839 -3.772 1.00 65.14 N ATOM 1284 CA ARG A 532 6.961 10.189 -3.573 1.00 20.14 C ATOM 1285 C ARG A 532 6.815 11.033 -4.823 1.00 74.14 C ATOM 1286 O ARG A 532 6.405 12.187 -4.750 1.00 12.24 O ATOM 1287 CB ARG A 532 8.449 10.126 -3.190 1.00 42.21 C ATOM 1288 CG ARG A 532 8.806 9.307 -1.937 1.00 44.23 C ATOM 1289 CD ARG A 532 8.312 9.887 -0.607 1.00 31.21 C ATOM 1290 NE ARG A 532 6.840 9.971 -0.448 1.00 13.31 N ATOM 1291 CZ ARG A 532 6.221 10.143 0.741 1.00 24.45 C ATOM 1292 NH1 ARG A 532 6.934 10.197 1.869 1.00 12.11 N ATOM 1293 NH2 ARG A 532 4.897 10.264 0.799 1.00 50.50 N ATOM 0 H ARG A 532 7.111 8.101 -3.648 1.00 65.14 H new ATOM 0 HA ARG A 532 6.391 10.647 -2.765 1.00 20.14 H new ATOM 0 HB2 ARG A 532 9.001 9.713 -4.035 1.00 42.21 H new ATOM 0 HB3 ARG A 532 8.806 11.145 -3.043 1.00 42.21 H new ATOM 0 HG2 ARG A 532 8.395 8.304 -2.051 1.00 44.23 H new ATOM 0 HG3 ARG A 532 9.890 9.204 -1.888 1.00 44.23 H new ATOM 0 HD2 ARG A 532 8.712 9.279 0.204 1.00 31.21 H new ATOM 0 HD3 ARG A 532 8.729 10.887 -0.491 1.00 31.21 H new ATOM 0 HE ARG A 532 6.261 9.895 -1.284 1.00 13.31 H new ATOM 0 HH11 ARG A 532 7.950 10.108 1.835 1.00 12.11 H new ATOM 0 HH12 ARG A 532 6.463 10.327 2.764 1.00 12.11 H new ATOM 0 HH21 ARG A 532 4.344 10.227 -0.057 1.00 50.50 H new ATOM 0 HH22 ARG A 532 4.436 10.394 1.699 1.00 50.50 H new ATOM 1307 N SER A 533 7.137 10.446 -5.964 1.00 53.43 N ATOM 1308 CA SER A 533 7.088 11.161 -7.223 1.00 2.24 C ATOM 1309 C SER A 533 5.638 11.473 -7.624 1.00 64.14 C ATOM 1310 O SER A 533 5.370 12.505 -8.251 1.00 70.01 O ATOM 1311 CB SER A 533 7.815 10.365 -8.320 1.00 61.05 C ATOM 1312 OG SER A 533 7.850 11.079 -9.546 1.00 20.11 O ATOM 0 H SER A 533 7.435 9.474 -6.041 1.00 53.43 H new ATOM 0 HA SER A 533 7.603 12.113 -7.099 1.00 2.24 H new ATOM 0 HB2 SER A 533 8.833 10.145 -7.997 1.00 61.05 H new ATOM 0 HB3 SER A 533 7.314 9.409 -8.469 1.00 61.05 H new ATOM 0 HG SER A 533 8.320 10.547 -10.221 1.00 20.11 H new ATOM 1318 N THR A 534 4.710 10.581 -7.244 1.00 53.25 N ATOM 1319 CA THR A 534 3.290 10.747 -7.525 1.00 54.20 C ATOM 1320 C THR A 534 2.998 10.670 -9.043 1.00 45.24 C ATOM 1321 O THR A 534 2.734 9.577 -9.570 1.00 24.54 O ATOM 1322 CB THR A 534 2.746 12.072 -6.891 1.00 54.13 C ATOM 1323 OG1 THR A 534 2.974 12.030 -5.472 1.00 21.40 O ATOM 1324 CG2 THR A 534 1.253 12.286 -7.162 1.00 23.13 C ATOM 0 H THR A 534 4.931 9.726 -6.733 1.00 53.25 H new ATOM 0 HA THR A 534 2.757 9.918 -7.059 1.00 54.20 H new ATOM 0 HB THR A 534 3.277 12.906 -7.350 1.00 54.13 H new ATOM 0 HG1 THR A 534 3.336 11.154 -5.225 1.00 21.40 H new ATOM 0 HG21 THR A 534 0.929 13.219 -6.700 1.00 23.13 H new ATOM 0 HG22 THR A 534 1.082 12.335 -8.237 1.00 23.13 H new ATOM 0 HG23 THR A 534 0.684 11.456 -6.742 1.00 23.13 H new ATOM 1332 N LYS A 535 3.104 11.815 -9.719 1.00 10.32 N ATOM 1333 CA LYS A 535 2.888 11.987 -11.149 1.00 33.23 C ATOM 1334 C LYS A 535 2.765 13.491 -11.375 1.00 24.52 C ATOM 1335 O LYS A 535 2.472 14.228 -10.417 1.00 44.42 O ATOM 1336 CB LYS A 535 1.591 11.275 -11.639 1.00 21.12 C ATOM 1337 CG LYS A 535 1.377 11.317 -13.161 1.00 44.52 C ATOM 1338 CD LYS A 535 2.503 10.611 -13.938 1.00 43.03 C ATOM 1339 CE LYS A 535 2.558 9.103 -13.671 1.00 40.33 C ATOM 1340 NZ LYS A 535 1.368 8.390 -14.205 1.00 15.10 N ATOM 0 H LYS A 535 3.356 12.689 -9.257 1.00 10.32 H new ATOM 0 HA LYS A 535 3.712 11.544 -11.709 1.00 33.23 H new ATOM 0 HB2 LYS A 535 1.620 10.234 -11.317 1.00 21.12 H new ATOM 0 HB3 LYS A 535 0.732 11.736 -11.151 1.00 21.12 H new ATOM 0 HG2 LYS A 535 0.424 10.847 -13.403 1.00 44.52 H new ATOM 0 HG3 LYS A 535 1.312 12.355 -13.486 1.00 44.52 H new ATOM 0 HD2 LYS A 535 2.363 10.781 -15.005 1.00 43.03 H new ATOM 0 HD3 LYS A 535 3.460 11.058 -13.667 1.00 43.03 H new ATOM 0 HE2 LYS A 535 3.459 8.689 -14.123 1.00 40.33 H new ATOM 0 HE3 LYS A 535 2.631 8.929 -12.597 1.00 40.33 H new ATOM 0 HZ1 LYS A 535 0.947 7.806 -13.454 1.00 15.10 H new ATOM 0 HZ2 LYS A 535 0.668 9.084 -14.538 1.00 15.10 H new ATOM 0 HZ3 LYS A 535 1.655 7.781 -14.997 1.00 15.10 H new ATOM 1354 N MET A 536 3.003 13.949 -12.599 1.00 33.24 N ATOM 1355 CA MET A 536 2.904 15.372 -12.927 1.00 32.31 C ATOM 1356 C MET A 536 1.510 15.913 -12.640 1.00 45.21 C ATOM 1357 O MET A 536 1.367 16.942 -11.974 1.00 73.15 O ATOM 1358 CB MET A 536 3.273 15.639 -14.392 1.00 2.45 C ATOM 1359 CG MET A 536 4.691 15.255 -14.765 1.00 23.53 C ATOM 1360 SD MET A 536 5.075 15.618 -16.491 1.00 64.35 S ATOM 1361 CE MET A 536 6.774 15.047 -16.576 1.00 13.13 C ATOM 0 H MET A 536 3.267 13.355 -13.385 1.00 33.24 H new ATOM 0 HA MET A 536 3.618 15.893 -12.289 1.00 32.31 H new ATOM 0 HB2 MET A 536 2.582 15.092 -15.033 1.00 2.45 H new ATOM 0 HB3 MET A 536 3.130 16.699 -14.602 1.00 2.45 H new ATOM 0 HG2 MET A 536 5.390 15.789 -14.121 1.00 23.53 H new ATOM 0 HG3 MET A 536 4.836 14.191 -14.580 1.00 23.53 H new ATOM 0 HE1 MET A 536 7.160 15.202 -17.583 1.00 13.13 H new ATOM 0 HE2 MET A 536 7.382 15.606 -15.864 1.00 13.13 H new ATOM 0 HE3 MET A 536 6.814 13.985 -16.332 1.00 13.13 H new ATOM 1371 N GLU A 537 0.489 15.220 -13.142 1.00 74.13 N ATOM 1372 CA GLU A 537 -0.894 15.619 -12.932 1.00 35.22 C ATOM 1373 C GLU A 537 -1.232 15.579 -11.434 1.00 23.10 C ATOM 1374 O GLU A 537 -1.484 16.631 -10.828 1.00 31.41 O ATOM 1375 CB GLU A 537 -1.837 14.764 -13.835 1.00 25.02 C ATOM 1376 CG GLU A 537 -3.352 15.038 -13.756 1.00 25.04 C ATOM 1377 CD GLU A 537 -3.999 14.540 -12.490 1.00 71.45 C ATOM 1378 OE1 GLU A 537 -4.034 13.316 -12.285 1.00 62.24 O ATOM 1379 OE2 GLU A 537 -4.503 15.347 -11.703 1.00 14.11 O ATOM 0 H GLU A 537 0.600 14.374 -13.701 1.00 74.13 H new ATOM 0 HA GLU A 537 -1.048 16.653 -13.240 1.00 35.22 H new ATOM 0 HB2 GLU A 537 -1.525 14.903 -14.870 1.00 25.02 H new ATOM 0 HB3 GLU A 537 -1.673 13.714 -13.591 1.00 25.02 H new ATOM 0 HG2 GLU A 537 -3.522 16.111 -13.841 1.00 25.04 H new ATOM 0 HG3 GLU A 537 -3.841 14.570 -14.610 1.00 25.04 H new ATOM 1386 N GLY A 538 -1.224 14.406 -10.828 1.00 24.41 N ATOM 1387 CA GLY A 538 -1.416 14.372 -9.398 1.00 14.45 C ATOM 1388 C GLY A 538 -2.374 13.320 -8.880 1.00 61.31 C ATOM 1389 O GLY A 538 -2.399 13.070 -7.684 1.00 64.40 O ATOM 0 H GLY A 538 -1.092 13.503 -11.283 1.00 24.41 H new ATOM 0 HA2 GLY A 538 -0.446 14.216 -8.925 1.00 14.45 H new ATOM 0 HA3 GLY A 538 -1.774 15.350 -9.076 1.00 14.45 H new ATOM 1393 N THR A 539 -3.167 12.716 -9.726 1.00 34.32 N ATOM 1394 CA THR A 539 -4.068 11.693 -9.240 1.00 63.45 C ATOM 1395 C THR A 539 -3.400 10.340 -9.412 1.00 10.02 C ATOM 1396 O THR A 539 -2.898 10.010 -10.487 1.00 42.44 O ATOM 1397 CB THR A 539 -5.392 11.687 -9.992 1.00 12.02 C ATOM 1398 OG1 THR A 539 -5.778 13.046 -10.263 1.00 53.32 O ATOM 1399 CG2 THR A 539 -6.472 11.065 -9.123 1.00 23.24 C ATOM 0 H THR A 539 -3.212 12.904 -10.728 1.00 34.32 H new ATOM 0 HA THR A 539 -4.282 11.902 -8.192 1.00 63.45 H new ATOM 0 HB THR A 539 -5.277 11.119 -10.915 1.00 12.02 H new ATOM 0 HG1 THR A 539 -5.576 13.263 -11.197 1.00 53.32 H new ATOM 0 HG21 THR A 539 -7.418 11.062 -9.664 1.00 23.24 H new ATOM 0 HG22 THR A 539 -6.194 10.041 -8.874 1.00 23.24 H new ATOM 0 HG23 THR A 539 -6.580 11.645 -8.206 1.00 23.24 H new ATOM 1407 N VAL A 540 -3.364 9.599 -8.368 1.00 34.22 N ATOM 1408 CA VAL A 540 -2.726 8.326 -8.357 1.00 34.33 C ATOM 1409 C VAL A 540 -3.742 7.230 -8.139 1.00 60.10 C ATOM 1410 O VAL A 540 -4.640 7.372 -7.324 1.00 71.54 O ATOM 1411 CB VAL A 540 -1.657 8.281 -7.245 1.00 53.43 C ATOM 1412 CG1 VAL A 540 -0.965 6.944 -7.196 1.00 63.51 C ATOM 1413 CG2 VAL A 540 -0.655 9.385 -7.449 1.00 42.33 C ATOM 0 H VAL A 540 -3.784 9.861 -7.476 1.00 34.22 H new ATOM 0 HA VAL A 540 -2.244 8.169 -9.322 1.00 34.33 H new ATOM 0 HB VAL A 540 -2.159 8.426 -6.289 1.00 53.43 H new ATOM 0 HG11 VAL A 540 -0.219 6.949 -6.401 1.00 63.51 H new ATOM 0 HG12 VAL A 540 -1.698 6.162 -7.000 1.00 63.51 H new ATOM 0 HG13 VAL A 540 -0.476 6.752 -8.151 1.00 63.51 H new ATOM 0 HG21 VAL A 540 0.096 9.346 -6.660 1.00 42.33 H new ATOM 0 HG22 VAL A 540 -0.170 9.262 -8.417 1.00 42.33 H new ATOM 0 HG23 VAL A 540 -1.164 10.348 -7.418 1.00 42.33 H new ATOM 1423 N SER A 541 -3.606 6.165 -8.880 1.00 55.24 N ATOM 1424 CA SER A 541 -4.469 5.029 -8.749 1.00 70.30 C ATOM 1425 C SER A 541 -3.879 4.020 -7.762 1.00 12.13 C ATOM 1426 O SER A 541 -2.843 3.449 -7.997 1.00 51.12 O ATOM 1427 CB SER A 541 -4.635 4.389 -10.120 1.00 72.53 C ATOM 1428 OG SER A 541 -5.211 5.310 -11.038 1.00 62.22 O ATOM 0 H SER A 541 -2.887 6.063 -9.596 1.00 55.24 H new ATOM 0 HA SER A 541 -5.439 5.346 -8.366 1.00 70.30 H new ATOM 0 HB2 SER A 541 -3.666 4.056 -10.491 1.00 72.53 H new ATOM 0 HB3 SER A 541 -5.267 3.504 -10.040 1.00 72.53 H new ATOM 0 HG SER A 541 -5.309 4.881 -11.914 1.00 62.22 H new ATOM 1434 N LEU A 542 -4.537 3.843 -6.673 1.00 52.52 N ATOM 1435 CA LEU A 542 -4.142 2.910 -5.655 1.00 0.00 C ATOM 1436 C LEU A 542 -4.999 1.698 -5.765 1.00 60.33 C ATOM 1437 O LEU A 542 -6.212 1.782 -5.660 1.00 61.34 O ATOM 1438 CB LEU A 542 -4.275 3.522 -4.241 1.00 60.32 C ATOM 1439 CG LEU A 542 -3.291 4.644 -3.865 1.00 52.21 C ATOM 1440 CD1 LEU A 542 -1.879 4.156 -4.003 1.00 65.35 C ATOM 1441 CD2 LEU A 542 -3.501 5.905 -4.679 1.00 42.24 C ATOM 0 H LEU A 542 -5.391 4.353 -6.450 1.00 52.52 H new ATOM 0 HA LEU A 542 -3.093 2.651 -5.802 1.00 0.00 H new ATOM 0 HB2 LEU A 542 -5.288 3.911 -4.135 1.00 60.32 H new ATOM 0 HB3 LEU A 542 -4.165 2.718 -3.513 1.00 60.32 H new ATOM 0 HG LEU A 542 -3.485 4.909 -2.826 1.00 52.21 H new ATOM 0 HD11 LEU A 542 -1.190 4.957 -3.735 1.00 65.35 H new ATOM 0 HD12 LEU A 542 -1.722 3.305 -3.341 1.00 65.35 H new ATOM 0 HD13 LEU A 542 -1.698 3.852 -5.034 1.00 65.35 H new ATOM 0 HD21 LEU A 542 -2.779 6.661 -4.371 1.00 42.24 H new ATOM 0 HD22 LEU A 542 -3.364 5.682 -5.737 1.00 42.24 H new ATOM 0 HD23 LEU A 542 -4.511 6.280 -4.515 1.00 42.24 H new ATOM 1453 N LEU A 543 -4.398 0.596 -6.003 1.00 50.22 N ATOM 1454 CA LEU A 543 -5.114 -0.622 -6.137 1.00 3.31 C ATOM 1455 C LEU A 543 -4.787 -1.491 -4.934 1.00 51.14 C ATOM 1456 O LEU A 543 -3.628 -1.877 -4.713 1.00 31.45 O ATOM 1457 CB LEU A 543 -4.741 -1.249 -7.510 1.00 50.11 C ATOM 1458 CG LEU A 543 -5.402 -2.554 -7.993 1.00 3.51 C ATOM 1459 CD1 LEU A 543 -4.964 -3.744 -7.201 1.00 71.12 C ATOM 1460 CD2 LEU A 543 -6.907 -2.437 -8.015 1.00 72.52 C ATOM 0 H LEU A 543 -3.388 0.508 -6.112 1.00 50.22 H new ATOM 0 HA LEU A 543 -6.196 -0.490 -6.140 1.00 3.31 H new ATOM 0 HB2 LEU A 543 -4.936 -0.492 -8.270 1.00 50.11 H new ATOM 0 HB3 LEU A 543 -3.665 -1.421 -7.500 1.00 50.11 H new ATOM 0 HG LEU A 543 -5.063 -2.713 -9.017 1.00 3.51 H new ATOM 0 HD11 LEU A 543 -5.459 -4.637 -7.582 1.00 71.12 H new ATOM 0 HD12 LEU A 543 -3.884 -3.862 -7.289 1.00 71.12 H new ATOM 0 HD13 LEU A 543 -5.229 -3.601 -6.153 1.00 71.12 H new ATOM 0 HD21 LEU A 543 -7.340 -3.376 -8.361 1.00 72.52 H new ATOM 0 HD22 LEU A 543 -7.270 -2.218 -7.011 1.00 72.52 H new ATOM 0 HD23 LEU A 543 -7.200 -1.632 -8.690 1.00 72.52 H new ATOM 1472 N VAL A 544 -5.803 -1.769 -4.170 1.00 54.44 N ATOM 1473 CA VAL A 544 -5.689 -2.528 -2.917 1.00 60.02 C ATOM 1474 C VAL A 544 -6.526 -3.787 -2.987 1.00 62.40 C ATOM 1475 O VAL A 544 -7.379 -3.899 -3.848 1.00 32.15 O ATOM 1476 CB VAL A 544 -6.118 -1.683 -1.681 1.00 44.05 C ATOM 1477 CG1 VAL A 544 -5.207 -0.478 -1.498 1.00 50.53 C ATOM 1478 CG2 VAL A 544 -7.574 -1.232 -1.798 1.00 40.34 C ATOM 0 H VAL A 544 -6.757 -1.479 -4.386 1.00 54.44 H new ATOM 0 HA VAL A 544 -4.638 -2.791 -2.795 1.00 60.02 H new ATOM 0 HB VAL A 544 -6.026 -2.321 -0.802 1.00 44.05 H new ATOM 0 HG11 VAL A 544 -5.530 0.094 -0.628 1.00 50.53 H new ATOM 0 HG12 VAL A 544 -4.182 -0.816 -1.350 1.00 50.53 H new ATOM 0 HG13 VAL A 544 -5.256 0.153 -2.385 1.00 50.53 H new ATOM 0 HG21 VAL A 544 -7.844 -0.644 -0.921 1.00 40.34 H new ATOM 0 HG22 VAL A 544 -7.695 -0.623 -2.694 1.00 40.34 H new ATOM 0 HG23 VAL A 544 -8.222 -2.106 -1.863 1.00 40.34 H new ATOM 1488 N PHE A 545 -6.270 -4.736 -2.114 1.00 31.13 N ATOM 1489 CA PHE A 545 -7.039 -5.976 -2.113 1.00 73.13 C ATOM 1490 C PHE A 545 -7.776 -6.101 -0.830 1.00 43.23 C ATOM 1491 O PHE A 545 -7.174 -6.292 0.223 1.00 50.23 O ATOM 1492 CB PHE A 545 -6.139 -7.213 -2.341 1.00 21.14 C ATOM 1493 CG PHE A 545 -6.844 -8.553 -2.176 1.00 60.32 C ATOM 1494 CD1 PHE A 545 -7.662 -9.072 -3.171 1.00 32.22 C ATOM 1495 CD2 PHE A 545 -6.665 -9.294 -1.016 1.00 34.24 C ATOM 1496 CE1 PHE A 545 -8.287 -10.289 -3.006 1.00 15.51 C ATOM 1497 CE2 PHE A 545 -7.293 -10.510 -0.850 1.00 60.03 C ATOM 1498 CZ PHE A 545 -8.101 -11.008 -1.846 1.00 32.02 C ATOM 0 H PHE A 545 -5.544 -4.681 -1.399 1.00 31.13 H new ATOM 0 HA PHE A 545 -7.747 -5.937 -2.941 1.00 73.13 H new ATOM 0 HB2 PHE A 545 -5.720 -7.160 -3.346 1.00 21.14 H new ATOM 0 HB3 PHE A 545 -5.302 -7.170 -1.644 1.00 21.14 H new ATOM 0 HD1 PHE A 545 -7.810 -8.515 -4.085 1.00 32.22 H new ATOM 0 HD2 PHE A 545 -6.026 -8.913 -0.233 1.00 34.24 H new ATOM 0 HE1 PHE A 545 -8.923 -10.679 -3.787 1.00 15.51 H new ATOM 0 HE2 PHE A 545 -7.151 -11.071 0.062 1.00 60.03 H new ATOM 0 HZ PHE A 545 -8.589 -11.963 -1.718 1.00 32.02 H new ATOM 1508 N ARG A 546 -9.072 -6.064 -0.913 1.00 23.11 N ATOM 1509 CA ARG A 546 -9.859 -6.120 0.263 1.00 54.53 C ATOM 1510 C ARG A 546 -10.443 -7.473 0.474 1.00 13.24 C ATOM 1511 O ARG A 546 -11.237 -7.977 -0.349 1.00 72.12 O ATOM 1512 CB ARG A 546 -10.945 -5.055 0.291 1.00 61.53 C ATOM 1513 CG ARG A 546 -11.802 -5.111 1.490 1.00 75.40 C ATOM 1514 CD ARG A 546 -12.828 -4.027 1.468 1.00 71.01 C ATOM 1515 NE ARG A 546 -13.494 -3.996 2.726 1.00 30.33 N ATOM 1516 CZ ARG A 546 -14.718 -3.522 2.958 1.00 11.22 C ATOM 1517 NH1 ARG A 546 -15.438 -3.003 1.961 1.00 75.34 N ATOM 1518 NH2 ARG A 546 -15.220 -3.576 4.185 1.00 31.21 N ATOM 0 H ARG A 546 -9.598 -5.995 -1.784 1.00 23.11 H new ATOM 0 HA ARG A 546 -9.180 -5.911 1.090 1.00 54.53 H new ATOM 0 HB2 ARG A 546 -10.478 -4.072 0.235 1.00 61.53 H new ATOM 0 HB3 ARG A 546 -11.569 -5.162 -0.596 1.00 61.53 H new ATOM 0 HG2 ARG A 546 -12.295 -6.082 1.543 1.00 75.40 H new ATOM 0 HG3 ARG A 546 -11.187 -5.016 2.385 1.00 75.40 H new ATOM 0 HD2 ARG A 546 -12.356 -3.065 1.268 1.00 71.01 H new ATOM 0 HD3 ARG A 546 -13.545 -4.203 0.666 1.00 71.01 H new ATOM 0 HE ARG A 546 -12.986 -4.373 3.526 1.00 30.33 H new ATOM 0 HH11 ARG A 546 -15.052 -2.968 1.018 1.00 75.34 H new ATOM 0 HH12 ARG A 546 -16.374 -2.641 2.143 1.00 75.34 H new ATOM 0 HH21 ARG A 546 -14.670 -3.978 4.944 1.00 31.21 H new ATOM 0 HH22 ARG A 546 -16.156 -3.215 4.369 1.00 31.21 H new