USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 662 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 466 LYS NZ :NH3+ 153:sc= 0.448 (180deg=-0.17) USER MOD Set 1.2: A 534 THR OG1 : rot -13:sc= 0.965 USER MOD Set 2.1: A 477 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 524 GLN : amide:sc= 0 K(o=0,f=1) USER MOD Set 3.1: A 463 GLN : amide:sc= 1.16 K(o=2,f=0.051) USER MOD Set 3.2: A 541 SER OG : rot 160:sc= 0.87 USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 ASN : amide:sc= -0.0375 X(o=-0.038,f=-0.062) USER MOD Single : A 465 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0107) 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 489 TYR OH : rot 180:sc= 0 USER MOD Single : A 491 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.023) USER MOD Single : A 492 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.9) USER MOD Single : A 501 GLN : amide:sc= -1.76! K(o=-1.8!,f=-0.087) USER MOD Single : A 506 LYS NZ :NH3+ -164:sc= -0.0323 (180deg=-0.275) USER MOD Single : A 515 ASN : amide:sc= -2.88 K(o=-2.9,f=-9.2!) USER MOD Single : A 522 LYS NZ :NH3+ -138:sc= -0.529 (180deg=-3.03!) USER MOD Single : A 523 SER OG : rot 180:sc= 0 USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 533 SER OG : rot 77:sc= 0.0508 USER MOD Single : A 535 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0139) 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 ----------------------------------------------------------------- ATOM 138 N LYS A 458 -10.878 -8.902 -2.532 1.00 4.23 N ATOM 139 CA LYS A 458 -10.872 -8.374 -3.881 1.00 72.02 C ATOM 140 C LYS A 458 -9.994 -7.147 -3.977 1.00 20.44 C ATOM 141 O LYS A 458 -9.574 -6.593 -2.967 1.00 43.11 O ATOM 142 CB LYS A 458 -12.279 -8.048 -4.378 1.00 73.13 C ATOM 143 CG LYS A 458 -13.003 -6.986 -3.564 1.00 74.32 C ATOM 144 CD LYS A 458 -14.343 -6.629 -4.182 1.00 74.35 C ATOM 145 CE LYS A 458 -14.173 -6.014 -5.568 1.00 22.50 C ATOM 146 NZ LYS A 458 -15.475 -5.694 -6.185 1.00 34.33 N ATOM 0 HA LYS A 458 -10.464 -9.155 -4.522 1.00 72.02 H new ATOM 0 HB2 LYS A 458 -12.217 -7.715 -5.414 1.00 73.13 H new ATOM 0 HB3 LYS A 458 -12.874 -8.961 -4.372 1.00 73.13 H new ATOM 0 HG2 LYS A 458 -13.155 -7.347 -2.547 1.00 74.32 H new ATOM 0 HG3 LYS A 458 -12.383 -6.092 -3.496 1.00 74.32 H new ATOM 0 HD2 LYS A 458 -14.962 -7.523 -4.253 1.00 74.35 H new ATOM 0 HD3 LYS A 458 -14.869 -5.928 -3.534 1.00 74.35 H new ATOM 0 HE2 LYS A 458 -13.573 -5.107 -5.493 1.00 22.50 H new ATOM 0 HE3 LYS A 458 -13.626 -6.706 -6.209 1.00 22.50 H new ATOM 0 HZ1 LYS A 458 -15.321 -5.278 -7.126 1.00 34.33 H new ATOM 0 HZ2 LYS A 458 -16.038 -6.564 -6.279 1.00 34.33 H new ATOM 0 HZ3 LYS A 458 -15.986 -5.015 -5.586 1.00 34.33 H new ATOM 160 N ARG A 459 -9.730 -6.726 -5.181 1.00 61.13 N ATOM 161 CA ARG A 459 -8.913 -5.558 -5.425 1.00 43.13 C ATOM 162 C ARG A 459 -9.788 -4.372 -5.843 1.00 10.00 C ATOM 163 O ARG A 459 -10.746 -4.532 -6.602 1.00 25.41 O ATOM 164 CB ARG A 459 -7.860 -5.853 -6.492 1.00 50.31 C ATOM 165 CG ARG A 459 -6.888 -6.968 -6.120 1.00 13.43 C ATOM 166 CD ARG A 459 -5.897 -7.205 -7.239 1.00 12.05 C ATOM 167 NE ARG A 459 -4.931 -8.278 -6.950 1.00 63.55 N ATOM 168 CZ ARG A 459 -4.305 -9.009 -7.896 1.00 74.50 C ATOM 169 NH1 ARG A 459 -4.617 -8.860 -9.178 1.00 63.00 N ATOM 170 NH2 ARG A 459 -3.380 -9.897 -7.558 1.00 65.53 N ATOM 0 H ARG A 459 -10.073 -7.180 -6.027 1.00 61.13 H new ATOM 0 HA ARG A 459 -8.398 -5.297 -4.500 1.00 43.13 H new ATOM 0 HB2 ARG A 459 -8.365 -6.121 -7.420 1.00 50.31 H new ATOM 0 HB3 ARG A 459 -7.293 -4.943 -6.689 1.00 50.31 H new ATOM 0 HG2 ARG A 459 -6.356 -6.704 -5.206 1.00 13.43 H new ATOM 0 HG3 ARG A 459 -7.440 -7.885 -5.915 1.00 13.43 H new ATOM 0 HD2 ARG A 459 -6.442 -7.453 -8.150 1.00 12.05 H new ATOM 0 HD3 ARG A 459 -5.354 -6.281 -7.434 1.00 12.05 H new ATOM 0 HE ARG A 459 -4.722 -8.482 -5.973 1.00 63.55 H new ATOM 0 HH11 ARG A 459 -5.334 -8.189 -9.454 1.00 63.00 H new ATOM 0 HH12 ARG A 459 -4.139 -9.416 -9.887 1.00 63.00 H new ATOM 0 HH21 ARG A 459 -3.137 -10.032 -6.577 1.00 65.53 H new ATOM 0 HH22 ARG A 459 -2.912 -10.445 -8.279 1.00 65.53 H new ATOM 184 N LEU A 460 -9.463 -3.203 -5.342 1.00 21.41 N ATOM 185 CA LEU A 460 -10.216 -1.978 -5.615 1.00 54.14 C ATOM 186 C LEU A 460 -9.285 -0.895 -6.099 1.00 55.42 C ATOM 187 O LEU A 460 -8.206 -0.702 -5.537 1.00 1.31 O ATOM 188 CB LEU A 460 -10.967 -1.440 -4.362 1.00 1.43 C ATOM 189 CG LEU A 460 -12.107 -2.285 -3.748 1.00 72.22 C ATOM 190 CD1 LEU A 460 -13.163 -2.630 -4.776 1.00 70.32 C ATOM 191 CD2 LEU A 460 -11.594 -3.521 -3.027 1.00 23.13 C ATOM 0 H LEU A 460 -8.662 -3.063 -4.726 1.00 21.41 H new ATOM 0 HA LEU A 460 -10.953 -2.235 -6.376 1.00 54.14 H new ATOM 0 HB2 LEU A 460 -10.225 -1.272 -3.581 1.00 1.43 H new ATOM 0 HB3 LEU A 460 -11.383 -0.466 -4.621 1.00 1.43 H new ATOM 0 HG LEU A 460 -12.582 -1.662 -2.990 1.00 72.22 H new ATOM 0 HD11 LEU A 460 -13.947 -3.224 -4.307 1.00 70.32 H new ATOM 0 HD12 LEU A 460 -13.594 -1.713 -5.177 1.00 70.32 H new ATOM 0 HD13 LEU A 460 -12.710 -3.202 -5.585 1.00 70.32 H new ATOM 0 HD21 LEU A 460 -12.436 -4.078 -2.615 1.00 23.13 H new ATOM 0 HD22 LEU A 460 -11.050 -4.153 -3.730 1.00 23.13 H new ATOM 0 HD23 LEU A 460 -10.928 -3.220 -2.219 1.00 23.13 H new ATOM 203 N ASN A 461 -9.692 -0.203 -7.127 1.00 65.21 N ATOM 204 CA ASN A 461 -8.918 0.897 -7.679 1.00 63.10 C ATOM 205 C ASN A 461 -9.425 2.224 -7.110 1.00 2.41 C ATOM 206 O ASN A 461 -10.620 2.530 -7.168 1.00 61.22 O ATOM 207 CB ASN A 461 -8.923 0.884 -9.233 1.00 1.01 C ATOM 208 CG ASN A 461 -10.313 0.908 -9.853 1.00 74.32 C ATOM 209 OD1 ASN A 461 -10.916 -0.139 -10.078 1.00 1.43 O ATOM 210 ND2 ASN A 461 -10.810 2.070 -10.164 1.00 23.33 N ATOM 0 H ASN A 461 -10.571 -0.379 -7.614 1.00 65.21 H new ATOM 0 HA ASN A 461 -7.877 0.774 -7.381 1.00 63.10 H new ATOM 0 HB2 ASN A 461 -8.361 1.746 -9.594 1.00 1.01 H new ATOM 0 HB3 ASN A 461 -8.398 -0.006 -9.579 1.00 1.01 H new ATOM 0 HD21 ASN A 461 -11.726 2.130 -10.608 1.00 23.33 H new ATOM 0 HD22 ASN A 461 -10.283 2.920 -9.963 1.00 23.33 H new ATOM 217 N ILE A 462 -8.525 2.967 -6.531 1.00 54.24 N ATOM 218 CA ILE A 462 -8.823 4.213 -5.853 1.00 72.24 C ATOM 219 C ILE A 462 -7.957 5.334 -6.440 1.00 20.45 C ATOM 220 O ILE A 462 -6.798 5.111 -6.722 1.00 3.44 O ATOM 221 CB ILE A 462 -8.464 4.053 -4.346 1.00 11.33 C ATOM 222 CG1 ILE A 462 -9.271 2.899 -3.721 1.00 44.24 C ATOM 223 CG2 ILE A 462 -8.694 5.346 -3.584 1.00 32.24 C ATOM 224 CD1 ILE A 462 -8.963 2.641 -2.261 1.00 30.21 C ATOM 0 H ILE A 462 -7.535 2.723 -6.513 1.00 54.24 H new ATOM 0 HA ILE A 462 -9.878 4.457 -5.976 1.00 72.24 H new ATOM 0 HB ILE A 462 -7.403 3.813 -4.276 1.00 11.33 H new ATOM 0 HG12 ILE A 462 -10.334 3.118 -3.823 1.00 44.24 H new ATOM 0 HG13 ILE A 462 -9.078 1.988 -4.287 1.00 44.24 H new ATOM 0 HG21 ILE A 462 -8.434 5.201 -2.535 1.00 32.24 H new ATOM 0 HG22 ILE A 462 -8.070 6.134 -4.007 1.00 32.24 H new ATOM 0 HG23 ILE A 462 -9.743 5.633 -3.662 1.00 32.24 H new ATOM 0 HD11 ILE A 462 -9.574 1.814 -1.901 1.00 30.21 H new ATOM 0 HD12 ILE A 462 -7.909 2.388 -2.151 1.00 30.21 H new ATOM 0 HD13 ILE A 462 -9.184 3.536 -1.679 1.00 30.21 H new ATOM 236 N GLN A 463 -8.515 6.518 -6.639 1.00 70.32 N ATOM 237 CA GLN A 463 -7.731 7.638 -7.150 1.00 44.11 C ATOM 238 C GLN A 463 -7.706 8.837 -6.222 1.00 21.20 C ATOM 239 O GLN A 463 -8.742 9.339 -5.794 1.00 11.05 O ATOM 240 CB GLN A 463 -8.131 8.030 -8.557 1.00 31.24 C ATOM 241 CG GLN A 463 -7.665 7.047 -9.599 1.00 54.44 C ATOM 242 CD GLN A 463 -8.093 7.417 -10.996 1.00 30.04 C ATOM 243 OE1 GLN A 463 -9.134 8.039 -11.200 1.00 42.43 O ATOM 244 NE2 GLN A 463 -7.298 7.054 -11.957 1.00 40.41 N ATOM 0 H GLN A 463 -9.496 6.730 -6.458 1.00 70.32 H new ATOM 0 HA GLN A 463 -6.706 7.270 -7.193 1.00 44.11 H new ATOM 0 HB2 GLN A 463 -9.216 8.118 -8.609 1.00 31.24 H new ATOM 0 HB3 GLN A 463 -7.720 9.014 -8.784 1.00 31.24 H new ATOM 0 HG2 GLN A 463 -6.578 6.979 -9.565 1.00 54.44 H new ATOM 0 HG3 GLN A 463 -8.054 6.058 -9.356 1.00 54.44 H new ATOM 0 HE21 GLN A 463 -6.443 6.539 -11.745 1.00 40.41 H new ATOM 0 HE22 GLN A 463 -7.528 7.284 -12.924 1.00 40.41 H new ATOM 253 N LEU A 464 -6.508 9.270 -5.928 1.00 71.15 N ATOM 254 CA LEU A 464 -6.228 10.366 -5.057 1.00 71.35 C ATOM 255 C LEU A 464 -5.515 11.478 -5.786 1.00 72.21 C ATOM 256 O LEU A 464 -4.774 11.232 -6.723 1.00 70.34 O ATOM 257 CB LEU A 464 -5.373 9.868 -3.918 1.00 73.14 C ATOM 258 CG LEU A 464 -6.111 9.456 -2.646 1.00 43.13 C ATOM 259 CD1 LEU A 464 -7.228 8.439 -2.845 1.00 11.41 C ATOM 260 CD2 LEU A 464 -5.153 9.001 -1.592 1.00 75.42 C ATOM 0 H LEU A 464 -5.665 8.843 -6.311 1.00 71.15 H new ATOM 0 HA LEU A 464 -7.168 10.768 -4.680 1.00 71.35 H new ATOM 0 HB2 LEU A 464 -4.797 9.013 -4.271 1.00 73.14 H new ATOM 0 HB3 LEU A 464 -4.658 10.649 -3.660 1.00 73.14 H new ATOM 0 HG LEU A 464 -6.616 10.363 -2.312 1.00 43.13 H new ATOM 0 HD11 LEU A 464 -7.689 8.212 -1.884 1.00 11.41 H new ATOM 0 HD12 LEU A 464 -7.979 8.850 -3.520 1.00 11.41 H new ATOM 0 HD13 LEU A 464 -6.816 7.526 -3.274 1.00 11.41 H new ATOM 0 HD21 LEU A 464 -5.706 8.714 -0.698 1.00 75.42 H new ATOM 0 HD22 LEU A 464 -4.587 8.145 -1.960 1.00 75.42 H new ATOM 0 HD23 LEU A 464 -4.467 9.812 -1.349 1.00 75.42 H new ATOM 272 N LYS A 465 -5.726 12.681 -5.345 1.00 74.23 N ATOM 273 CA LYS A 465 -5.146 13.833 -5.944 1.00 63.14 C ATOM 274 C LYS A 465 -4.197 14.468 -4.930 1.00 24.14 C ATOM 275 O LYS A 465 -4.542 14.630 -3.753 1.00 35.34 O ATOM 276 CB LYS A 465 -6.292 14.801 -6.377 1.00 11.34 C ATOM 277 CG LYS A 465 -5.925 16.033 -7.254 1.00 42.53 C ATOM 278 CD LYS A 465 -5.047 17.076 -6.558 1.00 31.03 C ATOM 279 CE LYS A 465 -5.699 17.649 -5.299 1.00 65.43 C ATOM 280 NZ LYS A 465 -6.964 18.363 -5.570 1.00 20.31 N ATOM 0 H LYS A 465 -6.319 12.888 -4.542 1.00 74.23 H new ATOM 0 HA LYS A 465 -4.571 13.584 -6.836 1.00 63.14 H new ATOM 0 HB2 LYS A 465 -7.034 14.216 -6.920 1.00 11.34 H new ATOM 0 HB3 LYS A 465 -6.776 15.169 -5.472 1.00 11.34 H new ATOM 0 HG2 LYS A 465 -5.410 15.684 -8.149 1.00 42.53 H new ATOM 0 HG3 LYS A 465 -6.846 16.515 -7.583 1.00 42.53 H new ATOM 0 HD2 LYS A 465 -4.092 16.623 -6.294 1.00 31.03 H new ATOM 0 HD3 LYS A 465 -4.833 17.888 -7.253 1.00 31.03 H new ATOM 0 HE2 LYS A 465 -5.891 16.838 -4.596 1.00 65.43 H new ATOM 0 HE3 LYS A 465 -5.001 18.332 -4.815 1.00 65.43 H new ATOM 0 HZ1 LYS A 465 -7.329 18.770 -4.685 1.00 20.31 H new ATOM 0 HZ2 LYS A 465 -6.792 19.125 -6.257 1.00 20.31 H new ATOM 0 HZ3 LYS A 465 -7.662 17.697 -5.958 1.00 20.31 H new ATOM 294 N LYS A 466 -3.012 14.773 -5.392 1.00 2.10 N ATOM 295 CA LYS A 466 -1.953 15.447 -4.607 1.00 31.00 C ATOM 296 C LYS A 466 -2.461 16.757 -3.945 1.00 1.41 C ATOM 297 O LYS A 466 -2.539 17.807 -4.589 1.00 71.11 O ATOM 298 CB LYS A 466 -0.732 15.733 -5.507 1.00 45.04 C ATOM 299 CG LYS A 466 0.393 16.506 -4.821 1.00 53.24 C ATOM 300 CD LYS A 466 1.560 16.767 -5.765 1.00 13.13 C ATOM 301 CE LYS A 466 2.383 15.532 -6.045 1.00 64.30 C ATOM 302 NZ LYS A 466 3.100 15.044 -4.842 1.00 31.33 N ATOM 0 H LYS A 466 -2.727 14.563 -6.349 1.00 2.10 H new ATOM 0 HA LYS A 466 -1.658 14.775 -3.801 1.00 31.00 H new ATOM 0 HB2 LYS A 466 -0.335 14.785 -5.871 1.00 45.04 H new ATOM 0 HB3 LYS A 466 -1.063 16.296 -6.379 1.00 45.04 H new ATOM 0 HG2 LYS A 466 0.007 17.455 -4.449 1.00 53.24 H new ATOM 0 HG3 LYS A 466 0.745 15.944 -3.956 1.00 53.24 H new ATOM 0 HD2 LYS A 466 1.177 17.162 -6.706 1.00 13.13 H new ATOM 0 HD3 LYS A 466 2.203 17.535 -5.335 1.00 13.13 H new ATOM 0 HE2 LYS A 466 1.732 14.743 -6.421 1.00 64.30 H new ATOM 0 HE3 LYS A 466 3.106 15.751 -6.831 1.00 64.30 H new ATOM 0 HZ1 LYS A 466 3.259 14.020 -4.925 1.00 31.33 H new ATOM 0 HZ2 LYS A 466 4.015 15.531 -4.762 1.00 31.33 H new ATOM 0 HZ3 LYS A 466 2.529 15.238 -3.995 1.00 31.33 H new ATOM 316 N GLY A 467 -2.847 16.662 -2.676 1.00 11.43 N ATOM 317 CA GLY A 467 -3.360 17.814 -1.950 1.00 23.32 C ATOM 318 C GLY A 467 -2.338 18.424 -1.006 1.00 3.35 C ATOM 319 O GLY A 467 -1.169 18.549 -1.366 1.00 74.14 O ATOM 0 H GLY A 467 -2.814 15.800 -2.132 1.00 11.43 H new ATOM 0 HA2 GLY A 467 -3.685 18.571 -2.664 1.00 23.32 H new ATOM 0 HA3 GLY A 467 -4.240 17.515 -1.380 1.00 23.32 H new ATOM 323 N THR A 468 -2.788 18.770 0.212 1.00 73.02 N ATOM 324 CA THR A 468 -1.969 19.420 1.257 1.00 71.13 C ATOM 325 C THR A 468 -0.586 18.754 1.445 1.00 54.01 C ATOM 326 O THR A 468 0.450 19.366 1.170 1.00 35.32 O ATOM 327 CB THR A 468 -2.750 19.430 2.600 1.00 15.14 C ATOM 328 OG1 THR A 468 -4.001 20.105 2.406 1.00 2.34 O ATOM 329 CG2 THR A 468 -1.962 20.129 3.709 1.00 1.05 C ATOM 0 H THR A 468 -3.750 18.604 0.507 1.00 73.02 H new ATOM 0 HA THR A 468 -1.777 20.441 0.927 1.00 71.13 H new ATOM 0 HB THR A 468 -2.914 18.397 2.908 1.00 15.14 H new ATOM 0 HG1 THR A 468 -4.502 20.115 3.248 1.00 2.34 H new ATOM 0 HG21 THR A 468 -2.542 20.115 4.632 1.00 1.05 H new ATOM 0 HG22 THR A 468 -1.017 19.610 3.867 1.00 1.05 H new ATOM 0 HG23 THR A 468 -1.765 21.161 3.420 1.00 1.05 H new ATOM 337 N GLU A 469 -0.576 17.518 1.901 1.00 74.44 N ATOM 338 CA GLU A 469 0.682 16.786 2.089 1.00 44.44 C ATOM 339 C GLU A 469 0.943 15.968 0.846 1.00 12.33 C ATOM 340 O GLU A 469 1.974 15.305 0.710 1.00 75.20 O ATOM 341 CB GLU A 469 0.536 15.817 3.263 1.00 23.24 C ATOM 342 CG GLU A 469 0.074 16.457 4.552 1.00 45.24 C ATOM 343 CD GLU A 469 1.069 17.413 5.144 1.00 74.11 C ATOM 344 OE1 GLU A 469 1.222 18.522 4.632 1.00 33.21 O ATOM 345 OE2 GLU A 469 1.683 17.071 6.183 1.00 71.42 O ATOM 0 H GLU A 469 -1.414 16.993 2.150 1.00 74.44 H new ATOM 0 HA GLU A 469 1.493 17.489 2.279 1.00 44.44 H new ATOM 0 HB2 GLU A 469 -0.172 15.035 2.986 1.00 23.24 H new ATOM 0 HB3 GLU A 469 1.496 15.331 3.437 1.00 23.24 H new ATOM 0 HG2 GLU A 469 -0.861 16.987 4.369 1.00 45.24 H new ATOM 0 HG3 GLU A 469 -0.141 15.674 5.279 1.00 45.24 H new ATOM 352 N GLY A 470 -0.007 16.056 -0.075 1.00 4.24 N ATOM 353 CA GLY A 470 -0.052 15.184 -1.202 1.00 24.10 C ATOM 354 C GLY A 470 -0.185 13.796 -0.726 1.00 32.14 C ATOM 355 O GLY A 470 -0.818 13.608 0.270 1.00 4.13 O ATOM 0 H GLY A 470 -0.762 16.741 -0.046 1.00 4.24 H new ATOM 0 HA2 GLY A 470 -0.892 15.444 -1.846 1.00 24.10 H new ATOM 0 HA3 GLY A 470 0.853 15.293 -1.799 1.00 24.10 H new ATOM 359 N LEU A 471 0.444 12.836 -1.379 1.00 22.02 N ATOM 360 CA LEU A 471 0.257 11.419 -1.034 1.00 41.14 C ATOM 361 C LEU A 471 0.500 11.161 0.443 1.00 14.42 C ATOM 362 O LEU A 471 1.634 11.057 0.904 1.00 31.11 O ATOM 363 CB LEU A 471 1.095 10.511 -1.921 1.00 42.02 C ATOM 364 CG LEU A 471 0.880 10.705 -3.422 1.00 2.44 C ATOM 365 CD1 LEU A 471 1.665 9.686 -4.207 1.00 53.12 C ATOM 366 CD2 LEU A 471 -0.605 10.639 -3.775 1.00 31.41 C ATOM 0 H LEU A 471 1.090 13.000 -2.151 1.00 22.02 H new ATOM 0 HA LEU A 471 -0.787 11.174 -1.227 1.00 41.14 H new ATOM 0 HB2 LEU A 471 2.148 10.677 -1.695 1.00 42.02 H new ATOM 0 HB3 LEU A 471 0.874 9.474 -1.668 1.00 42.02 H new ATOM 0 HG LEU A 471 1.244 11.697 -3.691 1.00 2.44 H new ATOM 0 HD11 LEU A 471 1.499 9.841 -5.273 1.00 53.12 H new ATOM 0 HD12 LEU A 471 2.727 9.795 -3.986 1.00 53.12 H new ATOM 0 HD13 LEU A 471 1.338 8.683 -3.931 1.00 53.12 H new ATOM 0 HD21 LEU A 471 -0.730 10.780 -4.849 1.00 31.41 H new ATOM 0 HD22 LEU A 471 -1.004 9.666 -3.488 1.00 31.41 H new ATOM 0 HD23 LEU A 471 -1.141 11.424 -3.241 1.00 31.41 H new ATOM 378 N GLY A 472 -0.599 11.087 1.169 1.00 75.21 N ATOM 379 CA GLY A 472 -0.565 11.008 2.589 1.00 25.45 C ATOM 380 C GLY A 472 -0.858 9.654 3.070 1.00 22.45 C ATOM 381 O GLY A 472 -1.788 9.442 3.832 1.00 11.12 O ATOM 0 H GLY A 472 -1.539 11.081 0.773 1.00 75.21 H new ATOM 0 HA2 GLY A 472 0.418 11.315 2.946 1.00 25.45 H new ATOM 0 HA3 GLY A 472 -1.289 11.707 3.009 1.00 25.45 H new ATOM 385 N PHE A 473 -0.094 8.752 2.615 1.00 63.41 N ATOM 386 CA PHE A 473 -0.180 7.406 2.999 1.00 64.42 C ATOM 387 C PHE A 473 1.172 6.808 2.912 1.00 75.52 C ATOM 388 O PHE A 473 1.959 7.159 2.035 1.00 62.02 O ATOM 389 CB PHE A 473 -1.251 6.628 2.191 1.00 42.34 C ATOM 390 CG PHE A 473 -1.149 6.710 0.687 1.00 4.20 C ATOM 391 CD1 PHE A 473 -1.571 7.852 0.022 1.00 60.24 C ATOM 392 CD2 PHE A 473 -0.665 5.647 -0.060 1.00 41.10 C ATOM 393 CE1 PHE A 473 -1.507 7.941 -1.342 1.00 21.42 C ATOM 394 CE2 PHE A 473 -0.602 5.732 -1.439 1.00 30.44 C ATOM 395 CZ PHE A 473 -1.027 6.887 -2.077 1.00 75.13 C ATOM 0 H PHE A 473 0.643 8.937 1.934 1.00 63.41 H new ATOM 0 HA PHE A 473 -0.523 7.340 4.031 1.00 64.42 H new ATOM 0 HB2 PHE A 473 -1.201 5.578 2.480 1.00 42.34 H new ATOM 0 HB3 PHE A 473 -2.234 6.993 2.487 1.00 42.34 H new ATOM 0 HD1 PHE A 473 -1.957 8.685 0.591 1.00 60.24 H new ATOM 0 HD2 PHE A 473 -0.335 4.747 0.438 1.00 41.10 H new ATOM 0 HE1 PHE A 473 -1.835 8.842 -1.840 1.00 21.42 H new ATOM 0 HE2 PHE A 473 -0.223 4.902 -2.017 1.00 30.44 H new ATOM 0 HZ PHE A 473 -0.980 6.957 -3.154 1.00 75.13 H new ATOM 405 N SER A 474 1.464 5.975 3.827 1.00 43.24 N ATOM 406 CA SER A 474 2.736 5.343 3.897 1.00 75.20 C ATOM 407 C SER A 474 2.532 3.862 3.693 1.00 61.32 C ATOM 408 O SER A 474 1.415 3.371 3.846 1.00 52.45 O ATOM 409 CB SER A 474 3.360 5.620 5.276 1.00 4.03 C ATOM 410 OG SER A 474 3.465 7.022 5.525 1.00 4.10 O ATOM 0 H SER A 474 0.820 5.700 4.569 1.00 43.24 H new ATOM 0 HA SER A 474 3.408 5.728 3.130 1.00 75.20 H new ATOM 0 HB2 SER A 474 2.753 5.155 6.053 1.00 4.03 H new ATOM 0 HB3 SER A 474 4.349 5.164 5.329 1.00 4.03 H new ATOM 0 HG SER A 474 3.863 7.168 6.408 1.00 4.10 H new ATOM 416 N ILE A 475 3.564 3.166 3.342 1.00 30.05 N ATOM 417 CA ILE A 475 3.489 1.741 3.156 1.00 4.14 C ATOM 418 C ILE A 475 4.387 1.004 4.136 1.00 70.10 C ATOM 419 O ILE A 475 5.400 1.533 4.595 1.00 34.44 O ATOM 420 CB ILE A 475 3.806 1.305 1.711 1.00 10.01 C ATOM 421 CG1 ILE A 475 5.127 1.931 1.231 1.00 13.24 C ATOM 422 CG2 ILE A 475 2.629 1.610 0.761 1.00 31.13 C ATOM 423 CD1 ILE A 475 5.561 1.466 -0.133 1.00 63.25 C ATOM 0 H ILE A 475 4.488 3.564 3.174 1.00 30.05 H new ATOM 0 HA ILE A 475 2.452 1.469 3.355 1.00 4.14 H new ATOM 0 HB ILE A 475 3.940 0.223 1.700 1.00 10.01 H new ATOM 0 HG12 ILE A 475 5.020 3.016 1.218 1.00 13.24 H new ATOM 0 HG13 ILE A 475 5.911 1.697 1.951 1.00 13.24 H new ATOM 0 HG21 ILE A 475 2.885 1.291 -0.249 1.00 31.13 H new ATOM 0 HG22 ILE A 475 1.742 1.074 1.097 1.00 31.13 H new ATOM 0 HG23 ILE A 475 2.428 2.681 0.763 1.00 31.13 H new ATOM 0 HD11 ILE A 475 6.499 1.951 -0.401 1.00 63.25 H new ATOM 0 HD12 ILE A 475 5.702 0.385 -0.121 1.00 63.25 H new ATOM 0 HD13 ILE A 475 4.797 1.724 -0.866 1.00 63.25 H new ATOM 435 N THR A 476 3.994 -0.185 4.463 1.00 74.32 N ATOM 436 CA THR A 476 4.713 -1.033 5.369 1.00 24.02 C ATOM 437 C THR A 476 4.691 -2.440 4.795 1.00 51.40 C ATOM 438 O THR A 476 3.858 -2.744 3.940 1.00 32.21 O ATOM 439 CB THR A 476 4.058 -1.011 6.795 1.00 25.14 C ATOM 440 OG1 THR A 476 4.830 -1.771 7.734 1.00 70.34 O ATOM 441 CG2 THR A 476 2.629 -1.550 6.765 1.00 51.34 C ATOM 0 H THR A 476 3.140 -0.608 4.099 1.00 74.32 H new ATOM 0 HA THR A 476 5.739 -0.681 5.480 1.00 24.02 H new ATOM 0 HB THR A 476 4.034 0.031 7.113 1.00 25.14 H new ATOM 0 HG1 THR A 476 4.400 -1.738 8.614 1.00 70.34 H new ATOM 0 HG21 THR A 476 2.207 -1.520 7.770 1.00 51.34 H new ATOM 0 HG22 THR A 476 2.023 -0.937 6.098 1.00 51.34 H new ATOM 0 HG23 THR A 476 2.636 -2.579 6.405 1.00 51.34 H new ATOM 449 N SER A 477 5.598 -3.261 5.207 1.00 63.52 N ATOM 450 CA SER A 477 5.651 -4.613 4.748 1.00 24.40 C ATOM 451 C SER A 477 6.029 -5.524 5.898 1.00 33.14 C ATOM 452 O SER A 477 6.882 -5.172 6.717 1.00 34.53 O ATOM 453 CB SER A 477 6.656 -4.730 3.588 1.00 65.52 C ATOM 454 OG SER A 477 7.933 -4.236 3.964 1.00 23.45 O ATOM 0 H SER A 477 6.328 -3.014 5.875 1.00 63.52 H new ATOM 0 HA SER A 477 4.672 -4.917 4.378 1.00 24.40 H new ATOM 0 HB2 SER A 477 6.742 -5.772 3.282 1.00 65.52 H new ATOM 0 HB3 SER A 477 6.287 -4.174 2.726 1.00 65.52 H new ATOM 0 HG SER A 477 8.553 -4.323 3.210 1.00 23.45 H new ATOM 580 N PRO A 487 5.113 -8.213 0.890 1.00 14.14 N ATOM 581 CA PRO A 487 3.789 -7.651 0.620 1.00 11.21 C ATOM 582 C PRO A 487 3.666 -6.233 1.154 1.00 23.24 C ATOM 583 O PRO A 487 4.034 -5.947 2.300 1.00 71.24 O ATOM 584 CB PRO A 487 2.825 -8.602 1.343 1.00 63.10 C ATOM 585 CG PRO A 487 3.678 -9.360 2.305 1.00 44.42 C ATOM 586 CD PRO A 487 5.036 -9.439 1.683 1.00 15.04 C ATOM 0 HA PRO A 487 3.581 -7.576 -0.447 1.00 11.21 H new ATOM 0 HB2 PRO A 487 2.041 -8.050 1.861 1.00 63.10 H new ATOM 0 HB3 PRO A 487 2.331 -9.273 0.640 1.00 63.10 H new ATOM 0 HG2 PRO A 487 3.720 -8.855 3.270 1.00 44.42 H new ATOM 0 HG3 PRO A 487 3.273 -10.356 2.484 1.00 44.42 H new ATOM 0 HD2 PRO A 487 5.822 -9.481 2.437 1.00 15.04 H new ATOM 0 HD3 PRO A 487 5.143 -10.328 1.061 1.00 15.04 H new ATOM 594 N ILE A 488 3.128 -5.369 0.337 1.00 24.45 N ATOM 595 CA ILE A 488 3.043 -3.966 0.642 1.00 1.40 C ATOM 596 C ILE A 488 1.679 -3.656 1.247 1.00 33.43 C ATOM 597 O ILE A 488 0.661 -4.040 0.701 1.00 72.31 O ATOM 598 CB ILE A 488 3.234 -3.130 -0.656 1.00 54.52 C ATOM 599 CG1 ILE A 488 4.545 -3.516 -1.387 1.00 23.22 C ATOM 600 CG2 ILE A 488 3.224 -1.644 -0.346 1.00 14.44 C ATOM 601 CD1 ILE A 488 5.815 -3.282 -0.579 1.00 20.53 C ATOM 0 H ILE A 488 2.732 -5.621 -0.569 1.00 24.45 H new ATOM 0 HA ILE A 488 3.826 -3.708 1.355 1.00 1.40 H new ATOM 0 HB ILE A 488 2.398 -3.355 -1.318 1.00 54.52 H new ATOM 0 HG12 ILE A 488 4.495 -4.569 -1.663 1.00 23.22 H new ATOM 0 HG13 ILE A 488 4.610 -2.946 -2.314 1.00 23.22 H new ATOM 0 HG21 ILE A 488 3.359 -1.079 -1.268 1.00 14.44 H new ATOM 0 HG22 ILE A 488 2.271 -1.374 0.109 1.00 14.44 H new ATOM 0 HG23 ILE A 488 4.035 -1.411 0.344 1.00 14.44 H new ATOM 0 HD11 ILE A 488 6.682 -3.580 -1.169 1.00 20.53 H new ATOM 0 HD12 ILE A 488 5.895 -2.225 -0.325 1.00 20.53 H new ATOM 0 HD13 ILE A 488 5.778 -3.873 0.336 1.00 20.53 H new ATOM 613 N TYR A 489 1.666 -2.982 2.363 1.00 65.14 N ATOM 614 CA TYR A 489 0.429 -2.637 3.036 1.00 22.32 C ATOM 615 C TYR A 489 0.408 -1.173 3.323 1.00 22.20 C ATOM 616 O TYR A 489 1.463 -0.556 3.442 1.00 0.04 O ATOM 617 CB TYR A 489 0.300 -3.387 4.366 1.00 33.40 C ATOM 618 CG TYR A 489 0.394 -4.872 4.242 1.00 10.52 C ATOM 619 CD1 TYR A 489 -0.569 -5.576 3.563 1.00 72.03 C ATOM 620 CD2 TYR A 489 1.457 -5.569 4.793 1.00 55.01 C ATOM 621 CE1 TYR A 489 -0.498 -6.930 3.422 1.00 74.02 C ATOM 622 CE2 TYR A 489 1.548 -6.934 4.665 1.00 71.20 C ATOM 623 CZ TYR A 489 0.568 -7.613 3.976 1.00 12.20 C ATOM 624 OH TYR A 489 0.652 -8.977 3.850 1.00 62.32 O ATOM 0 H TYR A 489 2.507 -2.653 2.837 1.00 65.14 H new ATOM 0 HA TYR A 489 -0.398 -2.915 2.383 1.00 22.32 H new ATOM 0 HB2 TYR A 489 1.080 -3.040 5.043 1.00 33.40 H new ATOM 0 HB3 TYR A 489 -0.656 -3.131 4.823 1.00 33.40 H new ATOM 0 HD1 TYR A 489 -1.403 -5.044 3.130 1.00 72.03 H new ATOM 0 HD2 TYR A 489 2.225 -5.032 5.330 1.00 55.01 H new ATOM 0 HE1 TYR A 489 -1.267 -7.463 2.883 1.00 74.02 H new ATOM 0 HE2 TYR A 489 2.379 -7.469 5.100 1.00 71.20 H new ATOM 0 HH TYR A 489 1.464 -9.297 4.296 1.00 62.32 H new ATOM 634 N VAL A 490 -0.770 -0.608 3.422 1.00 44.45 N ATOM 635 CA VAL A 490 -0.893 0.775 3.789 1.00 14.21 C ATOM 636 C VAL A 490 -0.590 0.887 5.276 1.00 24.01 C ATOM 637 O VAL A 490 -1.284 0.297 6.116 1.00 63.04 O ATOM 638 CB VAL A 490 -2.307 1.340 3.500 1.00 31.34 C ATOM 639 CG1 VAL A 490 -2.360 2.826 3.823 1.00 74.50 C ATOM 640 CG2 VAL A 490 -2.705 1.099 2.054 1.00 61.03 C ATOM 0 H VAL A 490 -1.655 -1.087 3.253 1.00 44.45 H new ATOM 0 HA VAL A 490 -0.193 1.360 3.192 1.00 14.21 H new ATOM 0 HB VAL A 490 -3.018 0.816 4.139 1.00 31.34 H new ATOM 0 HG11 VAL A 490 -3.359 3.208 3.615 1.00 74.50 H new ATOM 0 HG12 VAL A 490 -2.126 2.978 4.877 1.00 74.50 H new ATOM 0 HG13 VAL A 490 -1.633 3.358 3.209 1.00 74.50 H new ATOM 0 HG21 VAL A 490 -3.701 1.505 1.878 1.00 61.03 H new ATOM 0 HG22 VAL A 490 -1.991 1.591 1.393 1.00 61.03 H new ATOM 0 HG23 VAL A 490 -2.709 0.028 1.851 1.00 61.03 H new ATOM 650 N LYS A 491 0.427 1.634 5.580 1.00 1.40 N ATOM 651 CA LYS A 491 0.931 1.786 6.918 1.00 4.41 C ATOM 652 C LYS A 491 0.109 2.791 7.676 1.00 73.44 C ATOM 653 O LYS A 491 -0.462 2.480 8.718 1.00 21.04 O ATOM 654 CB LYS A 491 2.388 2.260 6.844 1.00 13.24 C ATOM 655 CG LYS A 491 3.096 2.395 8.131 1.00 64.53 C ATOM 656 CD LYS A 491 4.514 2.828 7.864 1.00 51.32 C ATOM 657 CE LYS A 491 5.363 2.611 9.060 1.00 1.45 C ATOM 658 NZ LYS A 491 4.928 3.412 10.232 1.00 65.13 N ATOM 0 H LYS A 491 0.947 2.172 4.887 1.00 1.40 H new ATOM 0 HA LYS A 491 0.873 0.830 7.438 1.00 4.41 H new ATOM 0 HB2 LYS A 491 2.944 1.561 6.219 1.00 13.24 H new ATOM 0 HB3 LYS A 491 2.409 3.226 6.339 1.00 13.24 H new ATOM 0 HG2 LYS A 491 2.592 3.125 8.764 1.00 64.53 H new ATOM 0 HG3 LYS A 491 3.086 1.447 8.668 1.00 64.53 H new ATOM 0 HD2 LYS A 491 4.917 2.269 7.020 1.00 51.32 H new ATOM 0 HD3 LYS A 491 4.531 3.882 7.586 1.00 51.32 H new ATOM 0 HE2 LYS A 491 5.347 1.553 9.323 1.00 1.45 H new ATOM 0 HE3 LYS A 491 6.395 2.863 8.817 1.00 1.45 H new ATOM 0 HZ1 LYS A 491 5.640 3.339 10.986 1.00 65.13 H new ATOM 0 HZ2 LYS A 491 4.822 4.408 9.952 1.00 65.13 H new ATOM 0 HZ3 LYS A 491 4.017 3.051 10.580 1.00 65.13 H new ATOM 672 N ASN A 492 0.026 3.980 7.139 1.00 61.34 N ATOM 673 CA ASN A 492 -0.649 5.057 7.816 1.00 55.22 C ATOM 674 C ASN A 492 -1.291 5.960 6.802 1.00 15.31 C ATOM 675 O ASN A 492 -0.879 5.984 5.638 1.00 45.33 O ATOM 676 CB ASN A 492 0.361 5.869 8.622 1.00 21.11 C ATOM 677 CG ASN A 492 -0.282 6.880 9.559 1.00 13.52 C ATOM 678 OD1 ASN A 492 -1.396 6.669 10.055 1.00 33.10 O ATOM 679 ND2 ASN A 492 0.400 7.972 9.801 1.00 20.41 N ATOM 0 H ASN A 492 0.419 4.228 6.231 1.00 61.34 H new ATOM 0 HA ASN A 492 -1.406 4.642 8.481 1.00 55.22 H new ATOM 0 HB2 ASN A 492 0.980 5.188 9.205 1.00 21.11 H new ATOM 0 HB3 ASN A 492 1.025 6.394 7.935 1.00 21.11 H new ATOM 0 HD21 ASN A 492 0.016 8.687 10.419 1.00 20.41 H new ATOM 0 HD22 ASN A 492 1.315 8.107 9.372 1.00 20.41 H new ATOM 686 N ILE A 493 -2.273 6.680 7.243 1.00 1.34 N ATOM 687 CA ILE A 493 -2.999 7.637 6.460 1.00 2.22 C ATOM 688 C ILE A 493 -2.865 8.988 7.149 1.00 3.41 C ATOM 689 O ILE A 493 -3.423 9.203 8.226 1.00 4.01 O ATOM 690 CB ILE A 493 -4.495 7.203 6.359 1.00 32.05 C ATOM 691 CG1 ILE A 493 -4.633 5.919 5.552 1.00 34.41 C ATOM 692 CG2 ILE A 493 -5.409 8.279 5.803 1.00 30.11 C ATOM 693 CD1 ILE A 493 -4.271 6.039 4.088 1.00 32.23 C ATOM 0 H ILE A 493 -2.609 6.616 8.204 1.00 1.34 H new ATOM 0 HA ILE A 493 -2.604 7.700 5.446 1.00 2.22 H new ATOM 0 HB ILE A 493 -4.822 7.026 7.384 1.00 32.05 H new ATOM 0 HG12 ILE A 493 -4.002 5.154 6.005 1.00 34.41 H new ATOM 0 HG13 ILE A 493 -5.663 5.569 5.628 1.00 34.41 H new ATOM 0 HG21 ILE A 493 -6.431 7.903 5.763 1.00 30.11 H new ATOM 0 HG22 ILE A 493 -5.370 9.158 6.447 1.00 30.11 H new ATOM 0 HG23 ILE A 493 -5.083 8.550 4.799 1.00 30.11 H new ATOM 0 HD11 ILE A 493 -4.402 5.073 3.600 1.00 32.23 H new ATOM 0 HD12 ILE A 493 -4.918 6.776 3.612 1.00 32.23 H new ATOM 0 HD13 ILE A 493 -3.232 6.355 3.995 1.00 32.23 H new ATOM 705 N LEU A 494 -2.052 9.845 6.564 1.00 12.02 N ATOM 706 CA LEU A 494 -1.807 11.195 7.079 1.00 31.52 C ATOM 707 C LEU A 494 -3.105 11.992 7.239 1.00 15.11 C ATOM 708 O LEU A 494 -3.930 12.059 6.314 1.00 3.05 O ATOM 709 CB LEU A 494 -0.785 11.979 6.215 1.00 34.11 C ATOM 710 CG LEU A 494 0.714 11.589 6.328 1.00 30.25 C ATOM 711 CD1 LEU A 494 0.980 10.137 5.952 1.00 23.43 C ATOM 712 CD2 LEU A 494 1.563 12.523 5.478 1.00 60.43 C ATOM 0 H LEU A 494 -1.535 9.631 5.711 1.00 12.02 H new ATOM 0 HA LEU A 494 -1.369 11.066 8.069 1.00 31.52 H new ATOM 0 HB2 LEU A 494 -1.080 11.874 5.171 1.00 34.11 H new ATOM 0 HB3 LEU A 494 -0.875 13.036 6.467 1.00 34.11 H new ATOM 0 HG LEU A 494 0.992 11.694 7.377 1.00 30.25 H new ATOM 0 HD11 LEU A 494 2.045 9.925 6.051 1.00 23.43 H new ATOM 0 HD12 LEU A 494 0.416 9.480 6.615 1.00 23.43 H new ATOM 0 HD13 LEU A 494 0.670 9.965 4.921 1.00 23.43 H new ATOM 0 HD21 LEU A 494 2.612 12.241 5.564 1.00 60.43 H new ATOM 0 HD22 LEU A 494 1.252 12.450 4.436 1.00 60.43 H new ATOM 0 HD23 LEU A 494 1.433 13.548 5.824 1.00 60.43 H new ATOM 724 N PRO A 495 -3.252 12.664 8.402 1.00 74.11 N ATOM 725 CA PRO A 495 -4.493 13.387 8.822 1.00 35.50 C ATOM 726 C PRO A 495 -4.847 14.608 7.977 1.00 64.02 C ATOM 727 O PRO A 495 -5.770 15.348 8.305 1.00 70.30 O ATOM 728 CB PRO A 495 -4.143 13.858 10.235 1.00 75.44 C ATOM 729 CG PRO A 495 -2.662 13.941 10.249 1.00 11.33 C ATOM 730 CD PRO A 495 -2.197 12.786 9.436 1.00 73.54 C ATOM 0 HA PRO A 495 -5.359 12.732 8.728 1.00 35.50 H new ATOM 0 HB2 PRO A 495 -4.596 14.825 10.453 1.00 75.44 H new ATOM 0 HB3 PRO A 495 -4.507 13.158 10.987 1.00 75.44 H new ATOM 0 HG2 PRO A 495 -2.317 14.884 9.826 1.00 11.33 H new ATOM 0 HG3 PRO A 495 -2.275 13.887 11.266 1.00 11.33 H new ATOM 0 HD2 PRO A 495 -1.218 12.971 8.994 1.00 73.54 H new ATOM 0 HD3 PRO A 495 -2.111 11.879 10.034 1.00 73.54 H new ATOM 738 N ARG A 496 -4.131 14.813 6.914 1.00 5.42 N ATOM 739 CA ARG A 496 -4.344 15.982 6.077 1.00 24.20 C ATOM 740 C ARG A 496 -3.711 15.812 4.693 1.00 51.22 C ATOM 741 O ARG A 496 -3.620 16.748 3.900 1.00 23.50 O ATOM 742 CB ARG A 496 -3.792 17.191 6.754 1.00 34.52 C ATOM 743 CG ARG A 496 -2.331 17.068 7.089 1.00 34.42 C ATOM 744 CD ARG A 496 -1.794 18.328 7.718 1.00 31.44 C ATOM 745 NE ARG A 496 -0.334 18.286 7.826 1.00 3.12 N ATOM 746 CZ ARG A 496 0.433 19.091 8.563 1.00 61.12 C ATOM 747 NH1 ARG A 496 -0.108 19.962 9.409 1.00 10.34 N ATOM 748 NH2 ARG A 496 1.754 19.001 8.453 1.00 53.04 N ATOM 0 H ARG A 496 -3.389 14.191 6.594 1.00 5.42 H new ATOM 0 HA ARG A 496 -5.417 16.103 5.932 1.00 24.20 H new ATOM 0 HB2 ARG A 496 -3.939 18.058 6.110 1.00 34.52 H new ATOM 0 HB3 ARG A 496 -4.354 17.375 7.670 1.00 34.52 H new ATOM 0 HG2 ARG A 496 -2.183 16.230 7.770 1.00 34.42 H new ATOM 0 HG3 ARG A 496 -1.768 16.845 6.183 1.00 34.42 H new ATOM 0 HD2 ARG A 496 -2.092 19.191 7.122 1.00 31.44 H new ATOM 0 HD3 ARG A 496 -2.231 18.458 8.708 1.00 31.44 H new ATOM 0 HE ARG A 496 0.145 17.568 7.282 1.00 3.12 H new ATOM 0 HH11 ARG A 496 -1.122 20.021 9.501 1.00 10.34 H new ATOM 0 HH12 ARG A 496 0.491 20.571 9.966 1.00 10.34 H new ATOM 0 HH21 ARG A 496 2.167 18.324 7.812 1.00 53.04 H new ATOM 0 HH22 ARG A 496 2.355 19.609 9.009 1.00 53.04 H new ATOM 762 N GLY A 497 -3.300 14.617 4.413 1.00 60.22 N ATOM 763 CA GLY A 497 -2.702 14.313 3.128 1.00 61.20 C ATOM 764 C GLY A 497 -3.740 13.973 2.068 1.00 61.42 C ATOM 765 O GLY A 497 -4.932 14.056 2.324 1.00 51.33 O ATOM 0 H GLY A 497 -3.363 13.824 5.052 1.00 60.22 H new ATOM 0 HA2 GLY A 497 -2.113 15.167 2.794 1.00 61.20 H new ATOM 0 HA3 GLY A 497 -2.014 13.475 3.240 1.00 61.20 H new ATOM 769 N ALA A 498 -3.267 13.565 0.885 1.00 74.34 N ATOM 770 CA ALA A 498 -4.097 13.232 -0.263 1.00 71.04 C ATOM 771 C ALA A 498 -5.176 12.243 0.130 1.00 21.12 C ATOM 772 O ALA A 498 -6.319 12.333 -0.295 1.00 70.53 O ATOM 773 CB ALA A 498 -3.251 12.577 -1.349 1.00 0.35 C ATOM 0 H ALA A 498 -2.269 13.457 0.702 1.00 74.34 H new ATOM 0 HA ALA A 498 -4.545 14.157 -0.627 1.00 71.04 H new ATOM 0 HB1 ALA A 498 -3.882 12.332 -2.203 1.00 0.35 H new ATOM 0 HB2 ALA A 498 -2.466 13.265 -1.663 1.00 0.35 H new ATOM 0 HB3 ALA A 498 -2.799 11.665 -0.958 1.00 0.35 H new ATOM 779 N ALA A 499 -4.775 11.313 1.003 1.00 72.15 N ATOM 780 CA ALA A 499 -5.607 10.216 1.437 1.00 13.24 C ATOM 781 C ALA A 499 -6.847 10.660 2.146 1.00 32.14 C ATOM 782 O ALA A 499 -7.889 10.120 1.913 1.00 3.22 O ATOM 783 CB ALA A 499 -4.817 9.236 2.266 1.00 64.23 C ATOM 0 H ALA A 499 -3.847 11.313 1.427 1.00 72.15 H new ATOM 0 HA ALA A 499 -5.946 9.708 0.534 1.00 13.24 H new ATOM 0 HB1 ALA A 499 -5.466 8.419 2.581 1.00 64.23 H new ATOM 0 HB2 ALA A 499 -3.994 8.838 1.672 1.00 64.23 H new ATOM 0 HB3 ALA A 499 -4.418 9.742 3.145 1.00 64.23 H new ATOM 789 N ILE A 500 -6.732 11.624 3.012 1.00 1.42 N ATOM 790 CA ILE A 500 -7.890 12.123 3.723 1.00 15.12 C ATOM 791 C ILE A 500 -8.692 13.090 2.859 1.00 2.03 C ATOM 792 O ILE A 500 -9.909 13.209 3.005 1.00 23.43 O ATOM 793 CB ILE A 500 -7.498 12.757 5.054 1.00 10.13 C ATOM 794 CG1 ILE A 500 -8.715 13.155 5.875 1.00 25.04 C ATOM 795 CG2 ILE A 500 -6.601 13.937 4.841 1.00 65.43 C ATOM 796 CD1 ILE A 500 -8.353 13.771 7.192 1.00 34.14 C ATOM 0 H ILE A 500 -5.853 12.085 3.248 1.00 1.42 H new ATOM 0 HA ILE A 500 -8.532 11.271 3.947 1.00 15.12 H new ATOM 0 HB ILE A 500 -6.952 12.002 5.620 1.00 10.13 H new ATOM 0 HG12 ILE A 500 -9.318 13.860 5.303 1.00 25.04 H new ATOM 0 HG13 ILE A 500 -9.334 12.275 6.049 1.00 25.04 H new ATOM 0 HG21 ILE A 500 -6.336 14.371 5.805 1.00 65.43 H new ATOM 0 HG22 ILE A 500 -5.695 13.617 4.326 1.00 65.43 H new ATOM 0 HG23 ILE A 500 -7.118 14.683 4.237 1.00 65.43 H new ATOM 0 HD11 ILE A 500 -9.262 14.034 7.733 1.00 34.14 H new ATOM 0 HD12 ILE A 500 -7.774 13.059 7.780 1.00 34.14 H new ATOM 0 HD13 ILE A 500 -7.759 14.669 7.023 1.00 34.14 H new ATOM 808 N GLN A 501 -7.993 13.781 1.954 1.00 54.22 N ATOM 809 CA GLN A 501 -8.628 14.717 1.045 1.00 54.31 C ATOM 810 C GLN A 501 -9.613 13.980 0.162 1.00 24.23 C ATOM 811 O GLN A 501 -10.750 14.410 -0.008 1.00 12.02 O ATOM 812 CB GLN A 501 -7.593 15.456 0.195 1.00 71.44 C ATOM 813 CG GLN A 501 -6.593 16.292 0.989 1.00 10.32 C ATOM 814 CD GLN A 501 -7.244 17.383 1.816 1.00 63.41 C ATOM 815 OE1 GLN A 501 -7.425 18.501 1.353 1.00 33.31 O ATOM 816 NE2 GLN A 501 -7.594 17.068 3.041 1.00 74.34 N ATOM 0 H GLN A 501 -6.983 13.703 1.838 1.00 54.22 H new ATOM 0 HA GLN A 501 -9.161 15.463 1.634 1.00 54.31 H new ATOM 0 HB2 GLN A 501 -7.044 14.726 -0.400 1.00 71.44 H new ATOM 0 HB3 GLN A 501 -8.116 16.108 -0.504 1.00 71.44 H new ATOM 0 HG2 GLN A 501 -6.025 15.636 1.649 1.00 10.32 H new ATOM 0 HG3 GLN A 501 -5.881 16.745 0.299 1.00 10.32 H new ATOM 0 HE21 GLN A 501 -7.427 16.125 3.393 1.00 74.34 H new ATOM 0 HE22 GLN A 501 -8.033 17.766 3.641 1.00 74.34 H new ATOM 825 N ASP A 502 -9.184 12.855 -0.380 1.00 21.25 N ATOM 826 CA ASP A 502 -10.079 12.027 -1.171 1.00 13.32 C ATOM 827 C ASP A 502 -10.864 11.123 -0.270 1.00 34.50 C ATOM 828 O ASP A 502 -12.059 10.948 -0.453 1.00 40.10 O ATOM 829 CB ASP A 502 -9.363 11.235 -2.274 1.00 41.31 C ATOM 830 CG ASP A 502 -8.850 12.119 -3.397 1.00 52.23 C ATOM 831 OD1 ASP A 502 -9.612 12.359 -4.367 1.00 41.34 O ATOM 832 OD2 ASP A 502 -7.695 12.596 -3.326 1.00 21.24 O ATOM 0 H ASP A 502 -8.234 12.496 -0.290 1.00 21.25 H new ATOM 0 HA ASP A 502 -10.761 12.698 -1.693 1.00 13.32 H new ATOM 0 HB2 ASP A 502 -8.527 10.688 -1.838 1.00 41.31 H new ATOM 0 HB3 ASP A 502 -10.048 10.494 -2.686 1.00 41.31 H new ATOM 837 N GLY A 503 -10.199 10.553 0.726 1.00 14.31 N ATOM 838 CA GLY A 503 -10.891 9.761 1.701 1.00 62.33 C ATOM 839 C GLY A 503 -11.208 8.331 1.317 1.00 44.04 C ATOM 840 O GLY A 503 -11.552 7.528 2.174 1.00 74.24 O ATOM 0 H GLY A 503 -9.192 10.630 0.869 1.00 14.31 H new ATOM 0 HA2 GLY A 503 -10.292 9.744 2.612 1.00 62.33 H new ATOM 0 HA3 GLY A 503 -11.827 10.263 1.944 1.00 62.33 H new ATOM 844 N ARG A 504 -11.106 8.004 0.064 1.00 45.53 N ATOM 845 CA ARG A 504 -11.476 6.670 -0.393 1.00 12.35 C ATOM 846 C ARG A 504 -10.420 5.623 0.015 1.00 74.40 C ATOM 847 O ARG A 504 -10.685 4.420 0.028 1.00 73.21 O ATOM 848 CB ARG A 504 -11.712 6.703 -1.900 1.00 74.51 C ATOM 849 CG ARG A 504 -12.244 5.422 -2.517 1.00 14.31 C ATOM 850 CD ARG A 504 -12.508 5.628 -3.999 1.00 52.11 C ATOM 851 NE ARG A 504 -13.064 4.435 -4.650 1.00 72.32 N ATOM 852 CZ ARG A 504 -13.538 4.412 -5.914 1.00 11.31 C ATOM 853 NH1 ARG A 504 -13.496 5.505 -6.665 1.00 32.55 N ATOM 854 NH2 ARG A 504 -14.047 3.294 -6.421 1.00 32.52 N ATOM 0 H ARG A 504 -10.772 8.630 -0.669 1.00 45.53 H new ATOM 0 HA ARG A 504 -12.403 6.365 0.092 1.00 12.35 H new ATOM 0 HB2 ARG A 504 -12.413 7.508 -2.121 1.00 74.51 H new ATOM 0 HB3 ARG A 504 -10.772 6.956 -2.390 1.00 74.51 H new ATOM 0 HG2 ARG A 504 -11.525 4.615 -2.376 1.00 14.31 H new ATOM 0 HG3 ARG A 504 -13.163 5.121 -2.014 1.00 14.31 H new ATOM 0 HD2 ARG A 504 -13.199 6.461 -4.128 1.00 52.11 H new ATOM 0 HD3 ARG A 504 -11.577 5.906 -4.494 1.00 52.11 H new ATOM 0 HE ARG A 504 -13.094 3.568 -4.113 1.00 72.32 H new ATOM 0 HH11 ARG A 504 -13.104 6.368 -6.288 1.00 32.55 H new ATOM 0 HH12 ARG A 504 -13.855 5.482 -7.619 1.00 32.55 H new ATOM 0 HH21 ARG A 504 -14.081 2.446 -5.854 1.00 32.52 H new ATOM 0 HH22 ARG A 504 -14.403 3.283 -7.377 1.00 32.52 H new ATOM 868 N LEU A 505 -9.247 6.094 0.375 1.00 35.11 N ATOM 869 CA LEU A 505 -8.164 5.224 0.790 1.00 73.41 C ATOM 870 C LEU A 505 -8.054 5.231 2.309 1.00 51.13 C ATOM 871 O LEU A 505 -8.356 6.246 2.952 1.00 75.32 O ATOM 872 CB LEU A 505 -6.844 5.695 0.160 1.00 13.52 C ATOM 873 CG LEU A 505 -5.606 4.829 0.433 1.00 60.34 C ATOM 874 CD1 LEU A 505 -5.797 3.417 -0.097 1.00 61.22 C ATOM 875 CD2 LEU A 505 -4.381 5.457 -0.187 1.00 21.13 C ATOM 0 H LEU A 505 -9.015 7.087 0.389 1.00 35.11 H new ATOM 0 HA LEU A 505 -8.370 4.208 0.454 1.00 73.41 H new ATOM 0 HB2 LEU A 505 -6.985 5.758 -0.919 1.00 13.52 H new ATOM 0 HB3 LEU A 505 -6.638 6.705 0.514 1.00 13.52 H new ATOM 0 HG LEU A 505 -5.467 4.770 1.512 1.00 60.34 H new ATOM 0 HD11 LEU A 505 -4.905 2.827 0.110 1.00 61.22 H new ATOM 0 HD12 LEU A 505 -6.657 2.958 0.391 1.00 61.22 H new ATOM 0 HD13 LEU A 505 -5.967 3.452 -1.173 1.00 61.22 H new ATOM 0 HD21 LEU A 505 -3.511 4.833 0.014 1.00 21.13 H new ATOM 0 HD22 LEU A 505 -4.523 5.545 -1.264 1.00 21.13 H new ATOM 0 HD23 LEU A 505 -4.224 6.447 0.241 1.00 21.13 H new ATOM 887 N LYS A 506 -7.651 4.110 2.882 1.00 4.42 N ATOM 888 CA LYS A 506 -7.476 4.005 4.310 1.00 54.12 C ATOM 889 C LYS A 506 -6.323 3.058 4.618 1.00 15.52 C ATOM 890 O LYS A 506 -5.805 2.394 3.715 1.00 63.52 O ATOM 891 CB LYS A 506 -8.756 3.549 5.050 1.00 52.43 C ATOM 892 CG LYS A 506 -9.233 2.098 4.766 1.00 62.20 C ATOM 893 CD LYS A 506 -9.765 1.883 3.346 1.00 23.11 C ATOM 894 CE LYS A 506 -11.067 2.642 3.107 1.00 72.24 C ATOM 895 NZ LYS A 506 -12.155 2.176 4.006 1.00 65.02 N ATOM 0 H LYS A 506 -7.438 3.254 2.369 1.00 4.42 H new ATOM 0 HA LYS A 506 -7.248 5.006 4.677 1.00 54.12 H new ATOM 0 HB2 LYS A 506 -8.586 3.650 6.122 1.00 52.43 H new ATOM 0 HB3 LYS A 506 -9.564 4.232 4.789 1.00 52.43 H new ATOM 0 HG2 LYS A 506 -8.403 1.413 4.939 1.00 62.20 H new ATOM 0 HG3 LYS A 506 -10.015 1.838 5.479 1.00 62.20 H new ATOM 0 HD2 LYS A 506 -9.016 2.210 2.624 1.00 23.11 H new ATOM 0 HD3 LYS A 506 -9.928 0.819 3.176 1.00 23.11 H new ATOM 0 HE2 LYS A 506 -10.899 3.708 3.263 1.00 72.24 H new ATOM 0 HE3 LYS A 506 -11.375 2.516 2.069 1.00 72.24 H new ATOM 0 HZ1 LYS A 506 -13.071 2.508 3.643 1.00 65.02 H new ATOM 0 HZ2 LYS A 506 -12.153 1.137 4.043 1.00 65.02 H new ATOM 0 HZ3 LYS A 506 -12.003 2.557 4.962 1.00 65.02 H new ATOM 909 N ALA A 507 -5.930 3.000 5.872 1.00 1.14 N ATOM 910 CA ALA A 507 -4.827 2.173 6.297 1.00 72.01 C ATOM 911 C ALA A 507 -5.313 0.791 6.668 1.00 54.32 C ATOM 912 O ALA A 507 -6.452 0.624 7.106 1.00 44.15 O ATOM 913 CB ALA A 507 -4.106 2.819 7.478 1.00 0.33 C ATOM 0 H ALA A 507 -6.369 3.528 6.626 1.00 1.14 H new ATOM 0 HA ALA A 507 -4.125 2.079 5.469 1.00 72.01 H new ATOM 0 HB1 ALA A 507 -3.276 2.185 7.789 1.00 0.33 H new ATOM 0 HB2 ALA A 507 -3.725 3.796 7.181 1.00 0.33 H new ATOM 0 HB3 ALA A 507 -4.802 2.938 8.308 1.00 0.33 H new ATOM 919 N GLY A 508 -4.463 -0.195 6.476 1.00 21.10 N ATOM 920 CA GLY A 508 -4.813 -1.550 6.844 1.00 11.11 C ATOM 921 C GLY A 508 -5.101 -2.443 5.656 1.00 1.52 C ATOM 922 O GLY A 508 -5.512 -3.600 5.826 1.00 12.32 O ATOM 0 H GLY A 508 -3.533 -0.086 6.071 1.00 21.10 H new ATOM 0 HA2 GLY A 508 -3.998 -1.982 7.424 1.00 11.11 H new ATOM 0 HA3 GLY A 508 -5.689 -1.527 7.492 1.00 11.11 H new ATOM 926 N ASP A 509 -4.900 -1.932 4.467 1.00 13.35 N ATOM 927 CA ASP A 509 -5.126 -2.711 3.251 1.00 11.44 C ATOM 928 C ASP A 509 -3.835 -2.961 2.518 1.00 64.12 C ATOM 929 O ASP A 509 -2.865 -2.222 2.693 1.00 65.15 O ATOM 930 CB ASP A 509 -6.159 -2.051 2.320 1.00 75.03 C ATOM 931 CG ASP A 509 -7.553 -2.069 2.899 1.00 74.24 C ATOM 932 OD1 ASP A 509 -8.278 -3.062 2.680 1.00 3.22 O ATOM 933 OD2 ASP A 509 -7.934 -1.126 3.599 1.00 4.01 O ATOM 0 H ASP A 509 -4.579 -0.978 4.303 1.00 13.35 H new ATOM 0 HA ASP A 509 -5.537 -3.671 3.564 1.00 11.44 H new ATOM 0 HB2 ASP A 509 -5.863 -1.020 2.126 1.00 75.03 H new ATOM 0 HB3 ASP A 509 -6.161 -2.568 1.360 1.00 75.03 H new ATOM 938 N ARG A 510 -3.811 -4.009 1.721 1.00 41.01 N ATOM 939 CA ARG A 510 -2.633 -4.355 0.951 1.00 13.44 C ATOM 940 C ARG A 510 -2.614 -3.596 -0.350 1.00 61.45 C ATOM 941 O ARG A 510 -3.609 -3.562 -1.066 1.00 61.15 O ATOM 942 CB ARG A 510 -2.528 -5.887 0.722 1.00 70.02 C ATOM 943 CG ARG A 510 -1.317 -6.316 -0.103 1.00 14.24 C ATOM 944 CD ARG A 510 -1.183 -7.829 -0.218 1.00 31.22 C ATOM 945 NE ARG A 510 -2.263 -8.479 -0.990 1.00 30.01 N ATOM 946 CZ ARG A 510 -2.736 -9.729 -0.744 1.00 62.40 C ATOM 947 NH1 ARG A 510 -2.344 -10.399 0.342 1.00 22.30 N ATOM 948 NH2 ARG A 510 -3.610 -10.295 -1.577 1.00 10.03 N ATOM 0 H ARG A 510 -4.601 -4.641 1.589 1.00 41.01 H new ATOM 0 HA ARG A 510 -1.755 -4.062 1.526 1.00 13.44 H new ATOM 0 HB2 ARG A 510 -2.489 -6.386 1.690 1.00 70.02 H new ATOM 0 HB3 ARG A 510 -3.434 -6.231 0.223 1.00 70.02 H new ATOM 0 HG2 ARG A 510 -1.394 -5.886 -1.102 1.00 14.24 H new ATOM 0 HG3 ARG A 510 -0.413 -5.910 0.350 1.00 14.24 H new ATOM 0 HD2 ARG A 510 -0.227 -8.063 -0.686 1.00 31.22 H new ATOM 0 HD3 ARG A 510 -1.161 -8.257 0.784 1.00 31.22 H new ATOM 0 HE ARG A 510 -2.681 -7.954 -1.758 1.00 30.01 H new ATOM 0 HH11 ARG A 510 -1.685 -9.973 0.994 1.00 22.30 H new ATOM 0 HH12 ARG A 510 -2.703 -11.337 0.520 1.00 22.30 H new ATOM 0 HH21 ARG A 510 -3.927 -9.789 -2.404 1.00 10.03 H new ATOM 0 HH22 ARG A 510 -3.961 -11.234 -1.387 1.00 10.03 H new ATOM 962 N LEU A 511 -1.494 -2.988 -0.642 1.00 53.23 N ATOM 963 CA LEU A 511 -1.339 -2.224 -1.835 1.00 54.22 C ATOM 964 C LEU A 511 -0.905 -3.202 -2.936 1.00 35.35 C ATOM 965 O LEU A 511 0.020 -3.992 -2.734 1.00 34.52 O ATOM 966 CB LEU A 511 -0.251 -1.153 -1.624 1.00 71.32 C ATOM 967 CG LEU A 511 -0.503 0.235 -2.265 1.00 5.42 C ATOM 968 CD1 LEU A 511 -0.858 0.151 -3.742 1.00 45.25 C ATOM 969 CD2 LEU A 511 -1.571 0.977 -1.498 1.00 61.35 C ATOM 0 H LEU A 511 -0.664 -3.014 -0.050 1.00 53.23 H new ATOM 0 HA LEU A 511 -2.267 -1.720 -2.106 1.00 54.22 H new ATOM 0 HB2 LEU A 511 -0.116 -1.012 -0.552 1.00 71.32 H new ATOM 0 HB3 LEU A 511 0.689 -1.542 -2.015 1.00 71.32 H new ATOM 0 HG LEU A 511 0.434 0.788 -2.206 1.00 5.42 H new ATOM 0 HD11 LEU A 511 -1.023 1.155 -4.134 1.00 45.25 H new ATOM 0 HD12 LEU A 511 -0.040 -0.322 -4.286 1.00 45.25 H new ATOM 0 HD13 LEU A 511 -1.765 -0.440 -3.865 1.00 45.25 H new ATOM 0 HD21 LEU A 511 -1.739 1.951 -1.958 1.00 61.35 H new ATOM 0 HD22 LEU A 511 -2.497 0.403 -1.516 1.00 61.35 H new ATOM 0 HD23 LEU A 511 -1.249 1.114 -0.466 1.00 61.35 H new ATOM 981 N ILE A 512 -1.583 -3.183 -4.056 1.00 60.32 N ATOM 982 CA ILE A 512 -1.267 -4.092 -5.158 1.00 4.24 C ATOM 983 C ILE A 512 -0.443 -3.395 -6.228 1.00 73.55 C ATOM 984 O ILE A 512 0.597 -3.906 -6.668 1.00 43.31 O ATOM 985 CB ILE A 512 -2.556 -4.678 -5.794 1.00 60.00 C ATOM 986 CG1 ILE A 512 -3.413 -5.390 -4.732 1.00 21.41 C ATOM 987 CG2 ILE A 512 -2.205 -5.644 -6.925 1.00 62.11 C ATOM 988 CD1 ILE A 512 -2.728 -6.564 -4.067 1.00 12.05 C ATOM 0 H ILE A 512 -2.362 -2.551 -4.241 1.00 60.32 H new ATOM 0 HA ILE A 512 -0.680 -4.909 -4.738 1.00 4.24 H new ATOM 0 HB ILE A 512 -3.135 -3.853 -6.208 1.00 60.00 H new ATOM 0 HG12 ILE A 512 -3.697 -4.668 -3.966 1.00 21.41 H new ATOM 0 HG13 ILE A 512 -4.334 -5.738 -5.199 1.00 21.41 H new ATOM 0 HG21 ILE A 512 -3.121 -6.045 -7.359 1.00 62.11 H new ATOM 0 HG22 ILE A 512 -1.641 -5.115 -7.693 1.00 62.11 H new ATOM 0 HG23 ILE A 512 -1.602 -6.462 -6.531 1.00 62.11 H new ATOM 0 HD11 ILE A 512 -3.400 -7.009 -3.333 1.00 12.05 H new ATOM 0 HD12 ILE A 512 -2.469 -7.308 -4.820 1.00 12.05 H new ATOM 0 HD13 ILE A 512 -1.821 -6.221 -3.568 1.00 12.05 H new ATOM 1000 N GLU A 513 -0.901 -2.244 -6.641 1.00 73.41 N ATOM 1001 CA GLU A 513 -0.227 -1.468 -7.650 1.00 23.13 C ATOM 1002 C GLU A 513 -0.644 -0.019 -7.547 1.00 41.12 C ATOM 1003 O GLU A 513 -1.754 0.284 -7.093 1.00 34.31 O ATOM 1004 CB GLU A 513 -0.554 -1.990 -9.061 1.00 21.43 C ATOM 1005 CG GLU A 513 -2.021 -1.987 -9.379 1.00 22.25 C ATOM 1006 CD GLU A 513 -2.316 -2.299 -10.805 1.00 1.03 C ATOM 1007 OE1 GLU A 513 -2.347 -3.489 -11.178 1.00 33.52 O ATOM 1008 OE2 GLU A 513 -2.558 -1.351 -11.575 1.00 22.14 O ATOM 0 H GLU A 513 -1.756 -1.815 -6.286 1.00 73.41 H new ATOM 0 HA GLU A 513 0.846 -1.559 -7.484 1.00 23.13 H new ATOM 0 HB2 GLU A 513 -0.030 -1.378 -9.796 1.00 21.43 H new ATOM 0 HB3 GLU A 513 -0.171 -3.006 -9.161 1.00 21.43 H new ATOM 0 HG2 GLU A 513 -2.525 -2.715 -8.743 1.00 22.25 H new ATOM 0 HG3 GLU A 513 -2.436 -1.009 -9.135 1.00 22.25 H new ATOM 1015 N VAL A 514 0.233 0.859 -7.923 1.00 0.21 N ATOM 1016 CA VAL A 514 -0.060 2.248 -7.975 1.00 11.50 C ATOM 1017 C VAL A 514 0.241 2.796 -9.379 1.00 14.42 C ATOM 1018 O VAL A 514 1.337 2.616 -9.918 1.00 63.34 O ATOM 1019 CB VAL A 514 0.685 3.032 -6.864 1.00 32.11 C ATOM 1020 CG1 VAL A 514 2.139 2.742 -6.910 1.00 1.30 C ATOM 1021 CG2 VAL A 514 0.468 4.514 -7.011 1.00 72.44 C ATOM 0 H VAL A 514 1.184 0.623 -8.205 1.00 0.21 H new ATOM 0 HA VAL A 514 -1.124 2.387 -7.782 1.00 11.50 H new ATOM 0 HB VAL A 514 0.281 2.710 -5.904 1.00 32.11 H new ATOM 0 HG11 VAL A 514 2.646 3.301 -6.123 1.00 1.30 H new ATOM 0 HG12 VAL A 514 2.302 1.675 -6.760 1.00 1.30 H new ATOM 0 HG13 VAL A 514 2.538 3.037 -7.880 1.00 1.30 H new ATOM 0 HG21 VAL A 514 1.001 5.040 -6.219 1.00 72.44 H new ATOM 0 HG22 VAL A 514 0.842 4.842 -7.981 1.00 72.44 H new ATOM 0 HG23 VAL A 514 -0.597 4.735 -6.940 1.00 72.44 H new ATOM 1031 N ASN A 515 -0.775 3.394 -9.972 1.00 20.24 N ATOM 1032 CA ASN A 515 -0.739 4.003 -11.326 1.00 10.23 C ATOM 1033 C ASN A 515 -0.303 3.051 -12.436 1.00 15.33 C ATOM 1034 O ASN A 515 0.043 3.491 -13.535 1.00 61.54 O ATOM 1035 CB ASN A 515 0.079 5.301 -11.365 1.00 34.25 C ATOM 1036 CG ASN A 515 -0.578 6.432 -10.601 1.00 22.34 C ATOM 1037 OD1 ASN A 515 -0.332 6.628 -9.434 1.00 42.10 O ATOM 1038 ND2 ASN A 515 -1.453 7.164 -11.255 1.00 34.13 N ATOM 0 H ASN A 515 -1.688 3.482 -9.525 1.00 20.24 H new ATOM 0 HA ASN A 515 -1.780 4.250 -11.534 1.00 10.23 H new ATOM 0 HB2 ASN A 515 1.069 5.114 -10.948 1.00 34.25 H new ATOM 0 HB3 ASN A 515 0.222 5.604 -12.402 1.00 34.25 H new ATOM 0 HD21 ASN A 515 -1.944 7.920 -10.778 1.00 34.13 H new ATOM 0 HD22 ASN A 515 -1.641 6.976 -12.240 1.00 34.13 H new ATOM 1045 N GLY A 516 -0.364 1.767 -12.180 1.00 54.31 N ATOM 1046 CA GLY A 516 0.002 0.809 -13.188 1.00 32.12 C ATOM 1047 C GLY A 516 1.277 0.077 -12.868 1.00 43.44 C ATOM 1048 O GLY A 516 1.652 -0.860 -13.572 1.00 33.25 O ATOM 0 H GLY A 516 -0.661 1.366 -11.290 1.00 54.31 H new ATOM 0 HA2 GLY A 516 -0.806 0.086 -13.305 1.00 32.12 H new ATOM 0 HA3 GLY A 516 0.113 1.320 -14.144 1.00 32.12 H new ATOM 1052 N VAL A 517 1.962 0.498 -11.831 1.00 35.43 N ATOM 1053 CA VAL A 517 3.171 -0.179 -11.426 1.00 12.14 C ATOM 1054 C VAL A 517 2.821 -1.197 -10.379 1.00 32.42 C ATOM 1055 O VAL A 517 2.272 -0.850 -9.332 1.00 52.21 O ATOM 1056 CB VAL A 517 4.234 0.800 -10.887 1.00 55.43 C ATOM 1057 CG1 VAL A 517 5.483 0.050 -10.452 1.00 72.05 C ATOM 1058 CG2 VAL A 517 4.583 1.818 -11.950 1.00 4.21 C ATOM 0 H VAL A 517 1.705 1.300 -11.256 1.00 35.43 H new ATOM 0 HA VAL A 517 3.606 -0.665 -12.300 1.00 12.14 H new ATOM 0 HB VAL A 517 3.823 1.315 -10.019 1.00 55.43 H new ATOM 0 HG11 VAL A 517 6.220 0.759 -10.075 1.00 72.05 H new ATOM 0 HG12 VAL A 517 5.226 -0.659 -9.665 1.00 72.05 H new ATOM 0 HG13 VAL A 517 5.899 -0.488 -11.304 1.00 72.05 H new ATOM 0 HG21 VAL A 517 5.334 2.506 -11.562 1.00 4.21 H new ATOM 0 HG22 VAL A 517 4.978 1.307 -12.828 1.00 4.21 H new ATOM 0 HG23 VAL A 517 3.689 2.376 -12.227 1.00 4.21 H new ATOM 1068 N ASP A 518 3.164 -2.431 -10.645 1.00 72.32 N ATOM 1069 CA ASP A 518 2.760 -3.546 -9.811 1.00 53.14 C ATOM 1070 C ASP A 518 3.828 -3.764 -8.763 1.00 3.21 C ATOM 1071 O ASP A 518 5.029 -3.769 -9.078 1.00 70.21 O ATOM 1072 CB ASP A 518 2.557 -4.784 -10.689 1.00 1.21 C ATOM 1073 CG ASP A 518 1.891 -5.947 -9.987 1.00 11.35 C ATOM 1074 OD1 ASP A 518 2.585 -6.718 -9.302 1.00 64.42 O ATOM 1075 OD2 ASP A 518 0.649 -6.126 -10.165 1.00 13.43 O ATOM 0 H ASP A 518 3.734 -2.697 -11.448 1.00 72.32 H new ATOM 0 HA ASP A 518 1.816 -3.343 -9.306 1.00 53.14 H new ATOM 0 HB2 ASP A 518 1.956 -4.506 -11.555 1.00 1.21 H new ATOM 0 HB3 ASP A 518 3.527 -5.110 -11.066 1.00 1.21 H new ATOM 1080 N LEU A 519 3.411 -3.923 -7.538 1.00 3.20 N ATOM 1081 CA LEU A 519 4.338 -3.927 -6.420 1.00 70.12 C ATOM 1082 C LEU A 519 4.914 -5.275 -6.165 1.00 33.23 C ATOM 1083 O LEU A 519 6.107 -5.412 -5.956 1.00 63.31 O ATOM 1084 CB LEU A 519 3.628 -3.497 -5.176 1.00 70.14 C ATOM 1085 CG LEU A 519 2.775 -2.267 -5.289 1.00 13.32 C ATOM 1086 CD1 LEU A 519 2.215 -1.936 -3.959 1.00 11.21 C ATOM 1087 CD2 LEU A 519 3.529 -1.104 -5.888 1.00 24.25 C ATOM 0 H LEU A 519 2.433 -4.053 -7.279 1.00 3.20 H new ATOM 0 HA LEU A 519 5.145 -3.242 -6.680 1.00 70.12 H new ATOM 0 HB2 LEU A 519 2.998 -4.320 -4.839 1.00 70.14 H new ATOM 0 HB3 LEU A 519 4.373 -3.327 -4.398 1.00 70.14 H new ATOM 0 HG LEU A 519 1.954 -2.475 -5.976 1.00 13.32 H new ATOM 0 HD11 LEU A 519 1.595 -1.043 -4.037 1.00 11.21 H new ATOM 0 HD12 LEU A 519 1.609 -2.769 -3.602 1.00 11.21 H new ATOM 0 HD13 LEU A 519 3.028 -1.752 -3.257 1.00 11.21 H new ATOM 0 HD21 LEU A 519 2.871 -0.237 -5.950 1.00 24.25 H new ATOM 0 HD22 LEU A 519 4.387 -0.864 -5.260 1.00 24.25 H new ATOM 0 HD23 LEU A 519 3.874 -1.370 -6.887 1.00 24.25 H new ATOM 1099 N VAL A 520 4.064 -6.259 -6.156 1.00 34.35 N ATOM 1100 CA VAL A 520 4.457 -7.608 -5.844 1.00 11.14 C ATOM 1101 C VAL A 520 5.468 -8.124 -6.873 1.00 44.24 C ATOM 1102 O VAL A 520 5.122 -8.493 -7.995 1.00 50.41 O ATOM 1103 CB VAL A 520 3.225 -8.526 -5.720 1.00 72.04 C ATOM 1104 CG1 VAL A 520 3.629 -9.926 -5.278 1.00 64.20 C ATOM 1105 CG2 VAL A 520 2.215 -7.909 -4.738 1.00 52.41 C ATOM 0 H VAL A 520 3.072 -6.151 -6.366 1.00 34.35 H new ATOM 0 HA VAL A 520 4.953 -7.614 -4.873 1.00 11.14 H new ATOM 0 HB VAL A 520 2.754 -8.615 -6.699 1.00 72.04 H new ATOM 0 HG11 VAL A 520 2.741 -10.553 -5.198 1.00 64.20 H new ATOM 0 HG12 VAL A 520 4.312 -10.356 -6.011 1.00 64.20 H new ATOM 0 HG13 VAL A 520 4.124 -9.873 -4.308 1.00 64.20 H new ATOM 0 HG21 VAL A 520 1.345 -8.561 -4.653 1.00 52.41 H new ATOM 0 HG22 VAL A 520 2.681 -7.797 -3.759 1.00 52.41 H new ATOM 0 HG23 VAL A 520 1.901 -6.932 -5.105 1.00 52.41 H new ATOM 1115 N GLY A 521 6.713 -8.091 -6.476 1.00 52.41 N ATOM 1116 CA GLY A 521 7.810 -8.424 -7.328 1.00 50.33 C ATOM 1117 C GLY A 521 8.968 -7.496 -7.050 1.00 1.54 C ATOM 1118 O GLY A 521 10.130 -7.896 -7.115 1.00 34.01 O ATOM 0 H GLY A 521 6.992 -7.826 -5.531 1.00 52.41 H new ATOM 0 HA2 GLY A 521 8.112 -9.458 -7.162 1.00 50.33 H new ATOM 0 HA3 GLY A 521 7.509 -8.344 -8.373 1.00 50.33 H new ATOM 1122 N LYS A 522 8.640 -6.256 -6.704 1.00 71.01 N ATOM 1123 CA LYS A 522 9.640 -5.254 -6.383 1.00 45.21 C ATOM 1124 C LYS A 522 9.685 -4.998 -4.877 1.00 25.54 C ATOM 1125 O LYS A 522 8.785 -5.407 -4.146 1.00 13.23 O ATOM 1126 CB LYS A 522 9.410 -3.930 -7.149 1.00 45.35 C ATOM 1127 CG LYS A 522 8.058 -3.251 -6.939 1.00 24.12 C ATOM 1128 CD LYS A 522 8.020 -1.799 -7.457 1.00 22.21 C ATOM 1129 CE LYS A 522 8.218 -1.639 -8.977 1.00 32.43 C ATOM 1130 NZ LYS A 522 9.583 -1.999 -9.475 1.00 41.42 N ATOM 0 H LYS A 522 7.678 -5.922 -6.639 1.00 71.01 H new ATOM 0 HA LYS A 522 10.603 -5.651 -6.704 1.00 45.21 H new ATOM 0 HB2 LYS A 522 10.193 -3.228 -6.862 1.00 45.35 H new ATOM 0 HB3 LYS A 522 9.532 -4.126 -8.214 1.00 45.35 H new ATOM 0 HG2 LYS A 522 7.285 -3.830 -7.444 1.00 24.12 H new ATOM 0 HG3 LYS A 522 7.817 -3.257 -5.876 1.00 24.12 H new ATOM 0 HD2 LYS A 522 7.062 -1.357 -7.183 1.00 22.21 H new ATOM 0 HD3 LYS A 522 8.793 -1.227 -6.944 1.00 22.21 H new ATOM 0 HE2 LYS A 522 7.484 -2.259 -9.492 1.00 32.43 H new ATOM 0 HE3 LYS A 522 8.009 -0.605 -9.249 1.00 32.43 H new ATOM 0 HZ1 LYS A 522 9.891 -1.299 -10.179 1.00 41.42 H new ATOM 0 HZ2 LYS A 522 10.252 -2.007 -8.679 1.00 41.42 H new ATOM 0 HZ3 LYS A 522 9.555 -2.942 -9.913 1.00 41.42 H new ATOM 1144 N SER A 523 10.711 -4.330 -4.422 1.00 53.44 N ATOM 1145 CA SER A 523 10.881 -4.061 -3.014 1.00 3.10 C ATOM 1146 C SER A 523 10.190 -2.752 -2.596 1.00 12.15 C ATOM 1147 O SER A 523 9.873 -1.904 -3.444 1.00 21.42 O ATOM 1148 CB SER A 523 12.368 -4.067 -2.671 1.00 10.34 C ATOM 1149 OG SER A 523 12.936 -5.348 -2.963 1.00 11.24 O ATOM 0 H SER A 523 11.453 -3.956 -5.014 1.00 53.44 H new ATOM 0 HA SER A 523 10.394 -4.851 -2.442 1.00 3.10 H new ATOM 0 HB2 SER A 523 12.883 -3.294 -3.241 1.00 10.34 H new ATOM 0 HB3 SER A 523 12.507 -3.831 -1.616 1.00 10.34 H new ATOM 0 HG SER A 523 13.891 -5.341 -2.741 1.00 11.24 H new ATOM 1155 N GLN A 524 9.977 -2.598 -1.290 1.00 52.03 N ATOM 1156 CA GLN A 524 9.246 -1.467 -0.708 1.00 41.52 C ATOM 1157 C GLN A 524 9.829 -0.130 -1.128 1.00 21.31 C ATOM 1158 O GLN A 524 9.100 0.765 -1.522 1.00 64.13 O ATOM 1159 CB GLN A 524 9.253 -1.562 0.808 1.00 71.33 C ATOM 1160 CG GLN A 524 8.440 -0.479 1.501 1.00 52.32 C ATOM 1161 CD GLN A 524 8.497 -0.586 3.002 1.00 73.43 C ATOM 1162 OE1 GLN A 524 9.359 -0.005 3.654 1.00 31.13 O ATOM 1163 NE2 GLN A 524 7.597 -1.320 3.559 1.00 20.21 N ATOM 0 H GLN A 524 10.311 -3.264 -0.594 1.00 52.03 H new ATOM 0 HA GLN A 524 8.224 -1.522 -1.082 1.00 41.52 H new ATOM 0 HB2 GLN A 524 8.865 -2.537 1.102 1.00 71.33 H new ATOM 0 HB3 GLN A 524 10.283 -1.509 1.160 1.00 71.33 H new ATOM 0 HG2 GLN A 524 8.810 0.500 1.196 1.00 52.32 H new ATOM 0 HG3 GLN A 524 7.402 -0.544 1.175 1.00 52.32 H new ATOM 0 HE21 GLN A 524 6.895 -1.789 2.986 1.00 20.21 H new ATOM 0 HE22 GLN A 524 7.586 -1.432 4.573 1.00 20.21 H new ATOM 1172 N GLU A 525 11.138 -0.009 -1.052 1.00 14.31 N ATOM 1173 CA GLU A 525 11.818 1.244 -1.417 1.00 61.24 C ATOM 1174 C GLU A 525 11.582 1.646 -2.871 1.00 51.23 C ATOM 1175 O GLU A 525 11.559 2.832 -3.210 1.00 35.42 O ATOM 1176 CB GLU A 525 13.288 1.210 -1.077 1.00 3.43 C ATOM 1177 CG GLU A 525 13.554 1.169 0.410 1.00 35.11 C ATOM 1178 CD GLU A 525 13.061 2.405 1.128 1.00 12.02 C ATOM 1179 OE1 GLU A 525 13.705 3.485 1.003 1.00 74.52 O ATOM 1180 OE2 GLU A 525 12.053 2.311 1.845 1.00 1.41 O ATOM 0 H GLU A 525 11.763 -0.754 -0.743 1.00 14.31 H new ATOM 0 HA GLU A 525 11.362 2.023 -0.806 1.00 61.24 H new ATOM 0 HB2 GLU A 525 13.743 0.337 -1.545 1.00 3.43 H new ATOM 0 HB3 GLU A 525 13.773 2.089 -1.502 1.00 3.43 H new ATOM 0 HG2 GLU A 525 13.071 0.290 0.837 1.00 35.11 H new ATOM 0 HG3 GLU A 525 14.625 1.059 0.580 1.00 35.11 H new ATOM 1187 N GLU A 526 11.412 0.668 -3.725 1.00 54.14 N ATOM 1188 CA GLU A 526 11.084 0.936 -5.108 1.00 24.43 C ATOM 1189 C GLU A 526 9.705 1.575 -5.182 1.00 62.35 C ATOM 1190 O GLU A 526 9.461 2.485 -5.970 1.00 34.11 O ATOM 1191 CB GLU A 526 11.093 -0.354 -5.900 1.00 63.40 C ATOM 1192 CG GLU A 526 12.448 -1.009 -5.996 1.00 11.32 C ATOM 1193 CD GLU A 526 12.393 -2.307 -6.747 1.00 42.31 C ATOM 1194 OE1 GLU A 526 12.158 -2.284 -7.976 1.00 2.50 O ATOM 1195 OE2 GLU A 526 12.590 -3.362 -6.128 1.00 2.30 O ATOM 0 H GLU A 526 11.495 -0.321 -3.490 1.00 54.14 H new ATOM 0 HA GLU A 526 11.825 1.615 -5.531 1.00 24.43 H new ATOM 0 HB2 GLU A 526 10.395 -1.054 -5.441 1.00 63.40 H new ATOM 0 HB3 GLU A 526 10.727 -0.152 -6.907 1.00 63.40 H new ATOM 0 HG2 GLU A 526 13.143 -0.332 -6.492 1.00 11.32 H new ATOM 0 HG3 GLU A 526 12.837 -1.186 -4.993 1.00 11.32 H new ATOM 1202 N VAL A 527 8.818 1.115 -4.330 1.00 0.22 N ATOM 1203 CA VAL A 527 7.465 1.611 -4.298 1.00 61.00 C ATOM 1204 C VAL A 527 7.427 2.989 -3.632 1.00 31.51 C ATOM 1205 O VAL A 527 6.655 3.855 -4.033 1.00 31.31 O ATOM 1206 CB VAL A 527 6.509 0.646 -3.549 1.00 73.33 C ATOM 1207 CG1 VAL A 527 5.060 1.124 -3.637 1.00 11.43 C ATOM 1208 CG2 VAL A 527 6.649 -0.776 -4.075 1.00 64.12 C ATOM 0 H VAL A 527 9.015 0.388 -3.642 1.00 0.22 H new ATOM 0 HA VAL A 527 7.122 1.687 -5.330 1.00 61.00 H new ATOM 0 HB VAL A 527 6.794 0.645 -2.497 1.00 73.33 H new ATOM 0 HG11 VAL A 527 4.414 0.427 -3.103 1.00 11.43 H new ATOM 0 HG12 VAL A 527 4.976 2.114 -3.189 1.00 11.43 H new ATOM 0 HG13 VAL A 527 4.756 1.172 -4.683 1.00 11.43 H new ATOM 0 HG21 VAL A 527 5.968 -1.433 -3.534 1.00 64.12 H new ATOM 0 HG22 VAL A 527 6.405 -0.797 -5.137 1.00 64.12 H new ATOM 0 HG23 VAL A 527 7.674 -1.118 -3.931 1.00 64.12 H new ATOM 1218 N VAL A 528 8.281 3.199 -2.634 1.00 63.34 N ATOM 1219 CA VAL A 528 8.289 4.484 -1.939 1.00 2.41 C ATOM 1220 C VAL A 528 8.756 5.599 -2.872 1.00 60.20 C ATOM 1221 O VAL A 528 8.179 6.661 -2.887 1.00 2.42 O ATOM 1222 CB VAL A 528 9.108 4.505 -0.605 1.00 50.13 C ATOM 1223 CG1 VAL A 528 8.690 3.402 0.356 1.00 44.41 C ATOM 1224 CG2 VAL A 528 10.606 4.524 -0.819 1.00 44.41 C ATOM 0 H VAL A 528 8.959 2.517 -2.295 1.00 63.34 H new ATOM 0 HA VAL A 528 7.254 4.655 -1.644 1.00 2.41 H new ATOM 0 HB VAL A 528 8.857 5.454 -0.132 1.00 50.13 H new ATOM 0 HG11 VAL A 528 9.290 3.464 1.264 1.00 44.41 H new ATOM 0 HG12 VAL A 528 7.636 3.520 0.609 1.00 44.41 H new ATOM 0 HG13 VAL A 528 8.844 2.431 -0.115 1.00 44.41 H new ATOM 0 HG21 VAL A 528 11.111 4.538 0.147 1.00 44.41 H new ATOM 0 HG22 VAL A 528 10.906 3.634 -1.373 1.00 44.41 H new ATOM 0 HG23 VAL A 528 10.881 5.414 -1.386 1.00 44.41 H new ATOM 1234 N SER A 529 9.778 5.315 -3.673 1.00 61.52 N ATOM 1235 CA SER A 529 10.307 6.272 -4.660 1.00 40.40 C ATOM 1236 C SER A 529 9.193 6.650 -5.650 1.00 42.20 C ATOM 1237 O SER A 529 8.977 7.827 -5.971 1.00 34.51 O ATOM 1238 CB SER A 529 11.498 5.633 -5.407 1.00 41.53 C ATOM 1239 OG SER A 529 12.071 6.523 -6.352 1.00 70.20 O ATOM 0 H SER A 529 10.267 4.420 -3.663 1.00 61.52 H new ATOM 0 HA SER A 529 10.652 7.174 -4.155 1.00 40.40 H new ATOM 0 HB2 SER A 529 12.258 5.331 -4.686 1.00 41.53 H new ATOM 0 HB3 SER A 529 11.164 4.729 -5.916 1.00 41.53 H new ATOM 0 HG SER A 529 12.822 6.083 -6.802 1.00 70.20 H new ATOM 1245 N LEU A 530 8.479 5.633 -6.076 1.00 41.34 N ATOM 1246 CA LEU A 530 7.342 5.720 -6.951 1.00 33.24 C ATOM 1247 C LEU A 530 6.257 6.620 -6.325 1.00 2.53 C ATOM 1248 O LEU A 530 5.667 7.471 -7.002 1.00 22.43 O ATOM 1249 CB LEU A 530 6.877 4.272 -7.137 1.00 21.00 C ATOM 1250 CG LEU A 530 5.533 3.964 -7.761 1.00 55.01 C ATOM 1251 CD1 LEU A 530 5.394 4.512 -9.165 1.00 40.21 C ATOM 1252 CD2 LEU A 530 5.340 2.465 -7.759 1.00 24.00 C ATOM 0 H LEU A 530 8.691 4.673 -5.804 1.00 41.34 H new ATOM 0 HA LEU A 530 7.575 6.175 -7.914 1.00 33.24 H new ATOM 0 HB2 LEU A 530 7.633 3.768 -7.739 1.00 21.00 H new ATOM 0 HB3 LEU A 530 6.888 3.803 -6.153 1.00 21.00 H new ATOM 0 HG LEU A 530 4.762 4.456 -7.168 1.00 55.01 H new ATOM 0 HD11 LEU A 530 4.410 4.259 -9.559 1.00 40.21 H new ATOM 0 HD12 LEU A 530 5.509 5.596 -9.146 1.00 40.21 H new ATOM 0 HD13 LEU A 530 6.163 4.077 -9.803 1.00 40.21 H new ATOM 0 HD21 LEU A 530 4.376 2.222 -8.205 1.00 24.00 H new ATOM 0 HD22 LEU A 530 6.136 1.995 -8.336 1.00 24.00 H new ATOM 0 HD23 LEU A 530 5.369 2.096 -6.734 1.00 24.00 H new ATOM 1264 N LEU A 531 6.052 6.449 -5.033 1.00 41.33 N ATOM 1265 CA LEU A 531 5.090 7.212 -4.263 1.00 74.24 C ATOM 1266 C LEU A 531 5.555 8.685 -4.125 1.00 21.04 C ATOM 1267 O LEU A 531 4.792 9.623 -4.376 1.00 73.41 O ATOM 1268 CB LEU A 531 4.975 6.581 -2.864 1.00 3.52 C ATOM 1269 CG LEU A 531 3.921 7.160 -1.934 1.00 53.14 C ATOM 1270 CD1 LEU A 531 2.539 6.829 -2.436 1.00 41.55 C ATOM 1271 CD2 LEU A 531 4.111 6.669 -0.512 1.00 34.05 C ATOM 0 H LEU A 531 6.561 5.761 -4.478 1.00 41.33 H new ATOM 0 HA LEU A 531 4.125 7.197 -4.770 1.00 74.24 H new ATOM 0 HB2 LEU A 531 4.772 5.517 -2.987 1.00 3.52 H new ATOM 0 HB3 LEU A 531 5.944 6.665 -2.373 1.00 3.52 H new ATOM 0 HG LEU A 531 4.036 8.244 -1.926 1.00 53.14 H new ATOM 0 HD11 LEU A 531 1.796 7.250 -1.759 1.00 41.55 H new ATOM 0 HD12 LEU A 531 2.403 7.250 -3.432 1.00 41.55 H new ATOM 0 HD13 LEU A 531 2.417 5.747 -2.480 1.00 41.55 H new ATOM 0 HD21 LEU A 531 3.342 7.101 0.128 1.00 34.05 H new ATOM 0 HD22 LEU A 531 4.034 5.582 -0.489 1.00 34.05 H new ATOM 0 HD23 LEU A 531 5.094 6.971 -0.151 1.00 34.05 H new ATOM 1283 N ARG A 532 6.824 8.854 -3.750 1.00 32.55 N ATOM 1284 CA ARG A 532 7.436 10.173 -3.498 1.00 41.24 C ATOM 1285 C ARG A 532 7.297 11.110 -4.684 1.00 21.00 C ATOM 1286 O ARG A 532 6.937 12.272 -4.519 1.00 22.13 O ATOM 1287 CB ARG A 532 8.930 10.027 -3.157 1.00 24.15 C ATOM 1288 CG ARG A 532 9.270 9.226 -1.894 1.00 10.54 C ATOM 1289 CD ARG A 532 8.906 9.927 -0.585 1.00 13.10 C ATOM 1290 NE ARG A 532 7.473 10.205 -0.426 1.00 43.13 N ATOM 1291 CZ ARG A 532 6.671 9.616 0.474 1.00 1.23 C ATOM 1292 NH1 ARG A 532 7.122 8.620 1.238 1.00 4.14 N ATOM 1293 NH2 ARG A 532 5.417 10.025 0.604 1.00 13.43 N ATOM 0 H ARG A 532 7.468 8.075 -3.609 1.00 32.55 H new ATOM 0 HA ARG A 532 6.899 10.603 -2.653 1.00 41.24 H new ATOM 0 HB2 ARG A 532 9.428 9.556 -4.004 1.00 24.15 H new ATOM 0 HB3 ARG A 532 9.355 11.025 -3.052 1.00 24.15 H new ATOM 0 HG2 ARG A 532 8.752 8.268 -1.935 1.00 10.54 H new ATOM 0 HG3 ARG A 532 10.338 9.010 -1.892 1.00 10.54 H new ATOM 0 HD2 ARG A 532 9.239 9.309 0.249 1.00 13.10 H new ATOM 0 HD3 ARG A 532 9.455 10.867 -0.525 1.00 13.10 H new ATOM 0 HE ARG A 532 7.056 10.898 -1.047 1.00 43.13 H new ATOM 0 HH11 ARG A 532 8.085 8.299 1.141 1.00 4.14 H new ATOM 0 HH12 ARG A 532 6.504 8.179 1.919 1.00 4.14 H new ATOM 0 HH21 ARG A 532 5.065 10.785 0.021 1.00 13.43 H new ATOM 0 HH22 ARG A 532 4.804 9.580 1.287 1.00 13.43 H new ATOM 1307 N SER A 533 7.568 10.610 -5.868 1.00 41.13 N ATOM 1308 CA SER A 533 7.506 11.428 -7.058 1.00 22.13 C ATOM 1309 C SER A 533 6.054 11.774 -7.431 1.00 74.14 C ATOM 1310 O SER A 533 5.769 12.900 -7.868 1.00 52.50 O ATOM 1311 CB SER A 533 8.218 10.716 -8.200 1.00 4.14 C ATOM 1312 OG SER A 533 9.557 10.406 -7.828 1.00 43.22 O ATOM 0 H SER A 533 7.834 9.639 -6.033 1.00 41.13 H new ATOM 0 HA SER A 533 8.012 12.373 -6.860 1.00 22.13 H new ATOM 0 HB2 SER A 533 7.684 9.802 -8.458 1.00 4.14 H new ATOM 0 HB3 SER A 533 8.217 11.347 -9.089 1.00 4.14 H new ATOM 0 HG SER A 533 9.559 9.631 -7.229 1.00 43.22 H new ATOM 1318 N THR A 534 5.147 10.804 -7.224 1.00 34.34 N ATOM 1319 CA THR A 534 3.719 10.934 -7.536 1.00 24.30 C ATOM 1320 C THR A 534 3.484 10.952 -9.070 1.00 73.44 C ATOM 1321 O THR A 534 4.378 11.310 -9.858 1.00 65.02 O ATOM 1322 CB THR A 534 3.077 12.217 -6.866 1.00 31.32 C ATOM 1323 OG1 THR A 534 3.385 12.235 -5.458 1.00 20.24 O ATOM 1324 CG2 THR A 534 1.541 12.229 -7.032 1.00 41.21 C ATOM 0 H THR A 534 5.392 9.896 -6.829 1.00 34.34 H new ATOM 0 HA THR A 534 3.223 10.059 -7.115 1.00 24.30 H new ATOM 0 HB THR A 534 3.493 13.094 -7.361 1.00 31.32 H new ATOM 0 HG1 THR A 534 3.742 11.363 -5.190 1.00 20.24 H new ATOM 0 HG21 THR A 534 1.131 13.123 -6.561 1.00 41.21 H new ATOM 0 HG22 THR A 534 1.290 12.230 -8.093 1.00 41.21 H new ATOM 0 HG23 THR A 534 1.117 11.343 -6.559 1.00 41.21 H new ATOM 1332 N LYS A 535 2.317 10.510 -9.484 1.00 3.33 N ATOM 1333 CA LYS A 535 1.922 10.596 -10.858 1.00 15.05 C ATOM 1334 C LYS A 535 1.807 12.077 -11.196 1.00 25.13 C ATOM 1335 O LYS A 535 1.082 12.821 -10.516 1.00 5.31 O ATOM 1336 CB LYS A 535 0.577 9.905 -11.034 1.00 74.25 C ATOM 1337 CG LYS A 535 0.050 9.830 -12.431 1.00 64.23 C ATOM 1338 CD LYS A 535 0.976 9.017 -13.315 1.00 63.54 C ATOM 1339 CE LYS A 535 0.269 8.527 -14.556 1.00 73.54 C ATOM 1340 NZ LYS A 535 -0.310 9.611 -15.383 1.00 52.12 N ATOM 0 H LYS A 535 1.621 10.083 -8.873 1.00 3.33 H new ATOM 0 HA LYS A 535 2.644 10.112 -11.515 1.00 15.05 H new ATOM 0 HB2 LYS A 535 0.660 8.890 -10.644 1.00 74.25 H new ATOM 0 HB3 LYS A 535 -0.158 10.424 -10.418 1.00 74.25 H new ATOM 0 HG2 LYS A 535 -0.943 9.380 -12.426 1.00 64.23 H new ATOM 0 HG3 LYS A 535 -0.058 10.835 -12.838 1.00 64.23 H new ATOM 0 HD2 LYS A 535 1.835 9.625 -13.600 1.00 63.54 H new ATOM 0 HD3 LYS A 535 1.361 8.165 -12.754 1.00 63.54 H new ATOM 0 HE2 LYS A 535 0.973 7.957 -15.162 1.00 73.54 H new ATOM 0 HE3 LYS A 535 -0.527 7.842 -14.263 1.00 73.54 H new ATOM 0 HZ1 LYS A 535 -0.704 9.208 -16.257 1.00 52.12 H new ATOM 0 HZ2 LYS A 535 -1.065 10.088 -14.851 1.00 52.12 H new ATOM 0 HZ3 LYS A 535 0.432 10.299 -15.623 1.00 52.12 H new ATOM 1354 N MET A 536 2.495 12.498 -12.226 1.00 10.13 N ATOM 1355 CA MET A 536 2.583 13.916 -12.568 1.00 61.02 C ATOM 1356 C MET A 536 1.286 14.480 -13.136 1.00 42.43 C ATOM 1357 O MET A 536 1.166 15.681 -13.369 1.00 24.21 O ATOM 1358 CB MET A 536 3.785 14.194 -13.463 1.00 51.20 C ATOM 1359 CG MET A 536 5.100 13.839 -12.790 1.00 54.12 C ATOM 1360 SD MET A 536 6.535 14.151 -13.816 1.00 50.04 S ATOM 1361 CE MET A 536 7.839 13.598 -12.715 1.00 61.03 C ATOM 0 H MET A 536 3.011 11.882 -12.854 1.00 10.13 H new ATOM 0 HA MET A 536 2.741 14.454 -11.633 1.00 61.02 H new ATOM 0 HB2 MET A 536 3.687 13.624 -14.387 1.00 51.20 H new ATOM 0 HB3 MET A 536 3.794 15.249 -13.739 1.00 51.20 H new ATOM 0 HG2 MET A 536 5.192 14.411 -11.867 1.00 54.12 H new ATOM 0 HG3 MET A 536 5.084 12.785 -12.512 1.00 54.12 H new ATOM 0 HE1 MET A 536 8.805 13.725 -13.203 1.00 61.03 H new ATOM 0 HE2 MET A 536 7.815 14.187 -11.798 1.00 61.03 H new ATOM 0 HE3 MET A 536 7.690 12.546 -12.474 1.00 61.03 H new ATOM 1371 N GLU A 537 0.326 13.608 -13.360 1.00 54.11 N ATOM 1372 CA GLU A 537 -1.011 14.019 -13.735 1.00 63.43 C ATOM 1373 C GLU A 537 -1.694 14.600 -12.498 1.00 24.13 C ATOM 1374 O GLU A 537 -2.560 15.460 -12.587 1.00 64.30 O ATOM 1375 CB GLU A 537 -1.797 12.819 -14.270 1.00 20.22 C ATOM 1376 CG GLU A 537 -3.224 13.134 -14.685 1.00 43.15 C ATOM 1377 CD GLU A 537 -3.926 11.933 -15.243 1.00 42.01 C ATOM 1378 OE1 GLU A 537 -3.826 11.697 -16.450 1.00 73.41 O ATOM 1379 OE2 GLU A 537 -4.574 11.192 -14.479 1.00 14.21 O ATOM 0 H GLU A 537 0.449 12.598 -13.288 1.00 54.11 H new ATOM 0 HA GLU A 537 -0.970 14.772 -14.522 1.00 63.43 H new ATOM 0 HB2 GLU A 537 -1.266 12.406 -15.127 1.00 20.22 H new ATOM 0 HB3 GLU A 537 -1.818 12.044 -13.504 1.00 20.22 H new ATOM 0 HG2 GLU A 537 -3.777 13.509 -13.824 1.00 43.15 H new ATOM 0 HG3 GLU A 537 -3.217 13.929 -15.431 1.00 43.15 H new ATOM 1386 N GLY A 538 -1.265 14.126 -11.345 1.00 12.32 N ATOM 1387 CA GLY A 538 -1.789 14.598 -10.105 1.00 33.30 C ATOM 1388 C GLY A 538 -2.627 13.575 -9.415 1.00 24.34 C ATOM 1389 O GLY A 538 -2.760 13.596 -8.184 1.00 62.10 O ATOM 0 H GLY A 538 -0.547 13.407 -11.255 1.00 12.32 H new ATOM 0 HA2 GLY A 538 -0.965 14.889 -9.453 1.00 33.30 H new ATOM 0 HA3 GLY A 538 -2.386 15.493 -10.283 1.00 33.30 H new ATOM 1393 N THR A 539 -3.178 12.671 -10.190 1.00 43.34 N ATOM 1394 CA THR A 539 -4.031 11.661 -9.652 1.00 11.24 C ATOM 1395 C THR A 539 -3.258 10.356 -9.538 1.00 43.53 C ATOM 1396 O THR A 539 -2.650 9.884 -10.507 1.00 32.12 O ATOM 1397 CB THR A 539 -5.219 11.406 -10.562 1.00 53.45 C ATOM 1398 OG1 THR A 539 -5.696 12.649 -11.126 1.00 62.11 O ATOM 1399 CG2 THR A 539 -6.347 10.789 -9.763 1.00 51.44 C ATOM 0 H THR A 539 -3.044 12.622 -11.200 1.00 43.34 H new ATOM 0 HA THR A 539 -4.380 12.005 -8.678 1.00 11.24 H new ATOM 0 HB THR A 539 -4.902 10.735 -11.360 1.00 53.45 H new ATOM 0 HG1 THR A 539 -6.461 12.470 -11.712 1.00 62.11 H new ATOM 0 HG21 THR A 539 -7.199 10.607 -10.418 1.00 51.44 H new ATOM 0 HG22 THR A 539 -6.013 9.846 -9.331 1.00 51.44 H new ATOM 0 HG23 THR A 539 -6.642 11.470 -8.965 1.00 51.44 H new ATOM 1407 N VAL A 540 -3.275 9.801 -8.391 1.00 43.44 N ATOM 1408 CA VAL A 540 -2.632 8.559 -8.123 1.00 0.54 C ATOM 1409 C VAL A 540 -3.654 7.459 -7.980 1.00 34.32 C ATOM 1410 O VAL A 540 -4.622 7.594 -7.235 1.00 64.35 O ATOM 1411 CB VAL A 540 -1.735 8.683 -6.877 1.00 3.42 C ATOM 1412 CG1 VAL A 540 -1.179 7.355 -6.441 1.00 14.50 C ATOM 1413 CG2 VAL A 540 -0.603 9.624 -7.182 1.00 21.12 C ATOM 0 H VAL A 540 -3.748 10.203 -7.582 1.00 43.44 H new ATOM 0 HA VAL A 540 -1.990 8.297 -8.964 1.00 0.54 H new ATOM 0 HB VAL A 540 -2.347 9.065 -6.060 1.00 3.42 H new ATOM 0 HG11 VAL A 540 -0.553 7.494 -5.559 1.00 14.50 H new ATOM 0 HG12 VAL A 540 -1.999 6.678 -6.201 1.00 14.50 H new ATOM 0 HG13 VAL A 540 -0.581 6.929 -7.247 1.00 14.50 H new ATOM 0 HG21 VAL A 540 0.038 9.718 -6.305 1.00 21.12 H new ATOM 0 HG22 VAL A 540 -0.021 9.234 -8.017 1.00 21.12 H new ATOM 0 HG23 VAL A 540 -1.004 10.603 -7.445 1.00 21.12 H new ATOM 1423 N SER A 541 -3.447 6.395 -8.717 1.00 32.00 N ATOM 1424 CA SER A 541 -4.346 5.285 -8.715 1.00 2.13 C ATOM 1425 C SER A 541 -3.781 4.175 -7.842 1.00 14.34 C ATOM 1426 O SER A 541 -2.757 3.596 -8.159 1.00 34.15 O ATOM 1427 CB SER A 541 -4.538 4.781 -10.149 1.00 44.55 C ATOM 1428 OG SER A 541 -4.953 5.837 -11.016 1.00 12.12 O ATOM 0 H SER A 541 -2.644 6.282 -9.335 1.00 32.00 H new ATOM 0 HA SER A 541 -5.311 5.595 -8.314 1.00 2.13 H new ATOM 0 HB2 SER A 541 -3.605 4.352 -10.515 1.00 44.55 H new ATOM 0 HB3 SER A 541 -5.281 3.984 -10.161 1.00 44.55 H new ATOM 0 HG SER A 541 -4.764 5.591 -11.945 1.00 12.12 H new ATOM 1434 N LEU A 542 -4.444 3.895 -6.768 1.00 23.12 N ATOM 1435 CA LEU A 542 -4.034 2.865 -5.855 1.00 51.00 C ATOM 1436 C LEU A 542 -4.923 1.680 -6.036 1.00 24.51 C ATOM 1437 O LEU A 542 -6.135 1.820 -6.035 1.00 11.10 O ATOM 1438 CB LEU A 542 -4.161 3.321 -4.375 1.00 13.23 C ATOM 1439 CG LEU A 542 -3.324 4.514 -3.917 1.00 34.41 C ATOM 1440 CD1 LEU A 542 -1.880 4.337 -4.314 1.00 33.04 C ATOM 1441 CD2 LEU A 542 -3.895 5.846 -4.391 1.00 42.14 C ATOM 0 H LEU A 542 -5.298 4.379 -6.491 1.00 23.12 H new ATOM 0 HA LEU A 542 -2.991 2.630 -6.067 1.00 51.00 H new ATOM 0 HB2 LEU A 542 -5.209 3.556 -4.187 1.00 13.23 H new ATOM 0 HB3 LEU A 542 -3.906 2.472 -3.741 1.00 13.23 H new ATOM 0 HG LEU A 542 -3.368 4.545 -2.828 1.00 34.41 H new ATOM 0 HD11 LEU A 542 -1.302 5.198 -3.978 1.00 33.04 H new ATOM 0 HD12 LEU A 542 -1.484 3.432 -3.853 1.00 33.04 H new ATOM 0 HD13 LEU A 542 -1.808 4.253 -5.398 1.00 33.04 H new ATOM 0 HD21 LEU A 542 -3.262 6.660 -4.038 1.00 42.14 H new ATOM 0 HD22 LEU A 542 -3.930 5.860 -5.480 1.00 42.14 H new ATOM 0 HD23 LEU A 542 -4.902 5.972 -3.994 1.00 42.14 H new ATOM 1453 N LEU A 543 -4.358 0.544 -6.223 1.00 71.31 N ATOM 1454 CA LEU A 543 -5.137 -0.648 -6.246 1.00 60.22 C ATOM 1455 C LEU A 543 -4.885 -1.325 -4.948 1.00 33.35 C ATOM 1456 O LEU A 543 -3.744 -1.680 -4.643 1.00 53.10 O ATOM 1457 CB LEU A 543 -4.727 -1.571 -7.380 1.00 20.35 C ATOM 1458 CG LEU A 543 -5.570 -2.837 -7.570 1.00 0.25 C ATOM 1459 CD1 LEU A 543 -6.960 -2.503 -8.062 1.00 1.33 C ATOM 1460 CD2 LEU A 543 -4.886 -3.801 -8.507 1.00 53.33 C ATOM 0 H LEU A 543 -3.357 0.409 -6.363 1.00 71.31 H new ATOM 0 HA LEU A 543 -6.189 -0.406 -6.399 1.00 60.22 H new ATOM 0 HB2 LEU A 543 -4.752 -1.002 -8.309 1.00 20.35 H new ATOM 0 HB3 LEU A 543 -3.692 -1.871 -7.218 1.00 20.35 H new ATOM 0 HG LEU A 543 -5.669 -3.319 -6.597 1.00 0.25 H new ATOM 0 HD11 LEU A 543 -7.532 -3.422 -8.187 1.00 1.33 H new ATOM 0 HD12 LEU A 543 -7.458 -1.861 -7.336 1.00 1.33 H new ATOM 0 HD13 LEU A 543 -6.893 -1.985 -9.019 1.00 1.33 H new ATOM 0 HD21 LEU A 543 -5.503 -4.692 -8.627 1.00 53.33 H new ATOM 0 HD22 LEU A 543 -4.743 -3.326 -9.477 1.00 53.33 H new ATOM 0 HD23 LEU A 543 -3.917 -4.083 -8.095 1.00 53.33 H new ATOM 1472 N VAL A 544 -5.896 -1.488 -4.185 1.00 31.43 N ATOM 1473 CA VAL A 544 -5.755 -2.087 -2.901 1.00 61.21 C ATOM 1474 C VAL A 544 -6.494 -3.374 -2.856 1.00 42.01 C ATOM 1475 O VAL A 544 -7.368 -3.629 -3.678 1.00 42.24 O ATOM 1476 CB VAL A 544 -6.254 -1.169 -1.756 1.00 75.44 C ATOM 1477 CG1 VAL A 544 -5.423 0.096 -1.674 1.00 4.22 C ATOM 1478 CG2 VAL A 544 -7.734 -0.830 -1.916 1.00 73.45 C ATOM 0 H VAL A 544 -6.848 -1.213 -4.425 1.00 31.43 H new ATOM 0 HA VAL A 544 -4.689 -2.256 -2.747 1.00 61.21 H new ATOM 0 HB VAL A 544 -6.137 -1.718 -0.822 1.00 75.44 H new ATOM 0 HG11 VAL A 544 -5.794 0.723 -0.863 1.00 4.22 H new ATOM 0 HG12 VAL A 544 -4.382 -0.164 -1.485 1.00 4.22 H new ATOM 0 HG13 VAL A 544 -5.495 0.641 -2.615 1.00 4.22 H new ATOM 0 HG21 VAL A 544 -8.050 -0.185 -1.096 1.00 73.45 H new ATOM 0 HG22 VAL A 544 -7.889 -0.314 -2.864 1.00 73.45 H new ATOM 0 HG23 VAL A 544 -8.321 -1.748 -1.902 1.00 73.45 H new ATOM 1488 N PHE A 545 -6.138 -4.180 -1.936 1.00 73.11 N ATOM 1489 CA PHE A 545 -6.767 -5.423 -1.755 1.00 35.11 C ATOM 1490 C PHE A 545 -7.530 -5.404 -0.458 1.00 54.23 C ATOM 1491 O PHE A 545 -6.940 -5.293 0.624 1.00 70.40 O ATOM 1492 CB PHE A 545 -5.706 -6.535 -1.763 1.00 41.21 C ATOM 1493 CG PHE A 545 -6.231 -7.919 -1.521 1.00 72.22 C ATOM 1494 CD1 PHE A 545 -6.843 -8.629 -2.538 1.00 31.22 C ATOM 1495 CD2 PHE A 545 -6.112 -8.511 -0.271 1.00 13.34 C ATOM 1496 CE1 PHE A 545 -7.328 -9.899 -2.319 1.00 40.44 C ATOM 1497 CE2 PHE A 545 -6.598 -9.780 -0.045 1.00 41.00 C ATOM 1498 CZ PHE A 545 -7.206 -10.477 -1.070 1.00 74.01 C ATOM 0 H PHE A 545 -5.386 -3.990 -1.274 1.00 73.11 H new ATOM 0 HA PHE A 545 -7.470 -5.617 -2.565 1.00 35.11 H new ATOM 0 HB2 PHE A 545 -5.195 -6.521 -2.726 1.00 41.21 H new ATOM 0 HB3 PHE A 545 -4.959 -6.308 -1.002 1.00 41.21 H new ATOM 0 HD1 PHE A 545 -6.942 -8.182 -3.516 1.00 31.22 H new ATOM 0 HD2 PHE A 545 -5.633 -7.971 0.533 1.00 13.34 H new ATOM 0 HE1 PHE A 545 -7.803 -10.442 -3.122 1.00 40.44 H new ATOM 0 HE2 PHE A 545 -6.504 -10.229 0.933 1.00 41.00 H new ATOM 0 HZ PHE A 545 -7.586 -11.473 -0.896 1.00 74.01 H new ATOM 1508 N ARG A 546 -8.823 -5.511 -0.572 1.00 63.13 N ATOM 1509 CA ARG A 546 -9.696 -5.572 0.556 1.00 62.10 C ATOM 1510 C ARG A 546 -9.782 -7.008 0.932 1.00 52.33 C ATOM 1511 O ARG A 546 -10.219 -7.843 0.144 1.00 20.20 O ATOM 1512 CB ARG A 546 -11.072 -5.050 0.182 1.00 55.21 C ATOM 1513 CG ARG A 546 -12.139 -5.099 1.279 1.00 64.32 C ATOM 1514 CD ARG A 546 -12.055 -3.958 2.311 1.00 32.22 C ATOM 1515 NE ARG A 546 -10.801 -3.877 3.075 1.00 35.13 N ATOM 1516 CZ ARG A 546 -10.713 -4.000 4.414 1.00 31.30 C ATOM 1517 NH1 ARG A 546 -11.731 -4.473 5.122 1.00 50.23 N ATOM 1518 NH2 ARG A 546 -9.595 -3.672 5.022 1.00 3.21 N ATOM 0 H ARG A 546 -9.305 -5.559 -1.470 1.00 63.13 H new ATOM 0 HA ARG A 546 -9.325 -4.963 1.380 1.00 62.10 H new ATOM 0 HB2 ARG A 546 -10.968 -4.016 -0.147 1.00 55.21 H new ATOM 0 HB3 ARG A 546 -11.434 -5.622 -0.673 1.00 55.21 H new ATOM 0 HG2 ARG A 546 -13.123 -5.075 0.811 1.00 64.32 H new ATOM 0 HG3 ARG A 546 -12.058 -6.051 1.803 1.00 64.32 H new ATOM 0 HD2 ARG A 546 -12.203 -3.012 1.791 1.00 32.22 H new ATOM 0 HD3 ARG A 546 -12.880 -4.068 3.014 1.00 32.22 H new ATOM 0 HE ARG A 546 -9.938 -3.717 2.555 1.00 35.13 H new ATOM 0 HH11 ARG A 546 -12.594 -4.749 4.653 1.00 50.23 H new ATOM 0 HH12 ARG A 546 -11.651 -4.561 6.135 1.00 50.23 H new ATOM 0 HH21 ARG A 546 -8.802 -3.327 4.481 1.00 3.21 H new ATOM 0 HH22 ARG A 546 -9.520 -3.762 6.035 1.00 3.21 H new