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 477 SER OG : rot -78:sc= 0.0421 USER MOD Set 1.2: A 524 GLN :FLIP amide:sc= 0.00463 F(o=-0.52,f=0.047) USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 ASN : amide:sc= -0.0385 X(o=-0.038,f=-0.074) USER MOD Single : A 463 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 465 LYS NZ :NH3+ 176:sc= 1.04 (180deg=0.992) USER MOD Single : A 466 LYS NZ :NH3+ 179:sc= 0 (180deg=-4.01e-05) USER MOD Single : A 468 THR OG1 : rot -67:sc= 1.24 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 -140:sc= 0.703 USER MOD Single : A 491 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 492 ASN : amide:sc= -0.37 K(o=-0.37,f=-5.9!) USER MOD Single : A 501 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.057) USER MOD Single : A 506 LYS NZ :NH3+ 168:sc= -0.0281 (180deg=-0.163) USER MOD Single : A 515 ASN : amide:sc= 0.145 K(o=0.15,f=-8!) USER MOD Single : A 522 LYS NZ :NH3+ -146:sc= -0.821 (180deg=-3.21!) USER MOD Single : A 523 SER OG : rot 180:sc= 0 USER MOD Single : A 529 SER OG : rot 88:sc= 1.27 USER MOD Single : A 533 SER OG : rot 180:sc= 0 USER MOD Single : A 534 THR OG1 : rot 180:sc= 0 USER MOD Single : A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 536 MET CE :methyl 156:sc= -0.217 (180deg=-0.94) USER MOD Single : A 539 THR OG1 : rot 83:sc= 1.22 USER MOD Single : A 541 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 138 N LYS A 458 -11.315 -8.577 -2.551 1.00 4.23 N ATOM 139 CA LYS A 458 -11.693 -7.605 -3.518 1.00 34.30 C ATOM 140 C LYS A 458 -10.559 -6.694 -3.804 1.00 43.23 C ATOM 141 O LYS A 458 -9.882 -6.227 -2.890 1.00 52.33 O ATOM 142 CB LYS A 458 -12.876 -6.775 -3.027 1.00 3.40 C ATOM 143 CG LYS A 458 -14.244 -7.361 -3.298 1.00 23.02 C ATOM 144 CD LYS A 458 -14.560 -7.362 -4.801 1.00 0.11 C ATOM 145 CE LYS A 458 -14.467 -5.945 -5.402 1.00 35.21 C ATOM 146 NZ LYS A 458 -14.908 -5.907 -6.817 1.00 72.11 N ATOM 0 HA LYS A 458 -11.980 -8.138 -4.425 1.00 34.30 H new ATOM 0 HB2 LYS A 458 -12.771 -6.626 -1.952 1.00 3.40 H new ATOM 0 HB3 LYS A 458 -12.824 -5.791 -3.492 1.00 3.40 H new ATOM 0 HG2 LYS A 458 -14.289 -8.380 -2.914 1.00 23.02 H new ATOM 0 HG3 LYS A 458 -15.001 -6.786 -2.765 1.00 23.02 H new ATOM 0 HD2 LYS A 458 -13.866 -8.024 -5.319 1.00 0.11 H new ATOM 0 HD3 LYS A 458 -15.561 -7.761 -4.963 1.00 0.11 H new ATOM 0 HE2 LYS A 458 -15.080 -5.262 -4.814 1.00 35.21 H new ATOM 0 HE3 LYS A 458 -13.439 -5.590 -5.334 1.00 35.21 H new ATOM 0 HZ1 LYS A 458 -14.828 -4.935 -7.179 1.00 72.11 H new ATOM 0 HZ2 LYS A 458 -14.308 -6.539 -7.385 1.00 72.11 H new ATOM 0 HZ3 LYS A 458 -15.898 -6.220 -6.881 1.00 72.11 H new ATOM 160 N ARG A 459 -10.332 -6.458 -5.050 1.00 61.25 N ATOM 161 CA ARG A 459 -9.382 -5.483 -5.440 1.00 63.43 C ATOM 162 C ARG A 459 -10.136 -4.240 -5.822 1.00 35.23 C ATOM 163 O ARG A 459 -11.199 -4.326 -6.443 1.00 64.24 O ATOM 164 CB ARG A 459 -8.516 -5.963 -6.586 1.00 71.31 C ATOM 165 CG ARG A 459 -7.740 -7.219 -6.269 1.00 4.43 C ATOM 166 CD ARG A 459 -6.771 -7.557 -7.370 1.00 51.40 C ATOM 167 NE ARG A 459 -7.423 -7.719 -8.673 1.00 64.14 N ATOM 168 CZ ARG A 459 -6.791 -7.672 -9.850 1.00 75.11 C ATOM 169 NH1 ARG A 459 -5.472 -7.507 -9.899 1.00 73.22 N ATOM 170 NH2 ARG A 459 -7.480 -7.805 -10.975 1.00 52.10 N ATOM 0 H ARG A 459 -10.799 -6.935 -5.822 1.00 61.25 H new ATOM 0 HA ARG A 459 -8.704 -5.282 -4.610 1.00 63.43 H new ATOM 0 HB2 ARG A 459 -9.147 -6.145 -7.456 1.00 71.31 H new ATOM 0 HB3 ARG A 459 -7.817 -5.172 -6.859 1.00 71.31 H new ATOM 0 HG2 ARG A 459 -7.198 -7.087 -5.333 1.00 4.43 H new ATOM 0 HG3 ARG A 459 -8.431 -8.049 -6.123 1.00 4.43 H new ATOM 0 HD2 ARG A 459 -6.020 -6.770 -7.440 1.00 51.40 H new ATOM 0 HD3 ARG A 459 -6.246 -8.477 -7.115 1.00 51.40 H new ATOM 0 HE ARG A 459 -8.430 -7.879 -8.682 1.00 64.14 H new ATOM 0 HH11 ARG A 459 -4.937 -7.416 -9.035 1.00 73.22 H new ATOM 0 HH12 ARG A 459 -4.996 -7.472 -10.800 1.00 73.22 H new ATOM 0 HH21 ARG A 459 -8.490 -7.943 -10.941 1.00 52.10 H new ATOM 0 HH22 ARG A 459 -7.000 -7.769 -11.874 1.00 52.10 H new ATOM 184 N LEU A 460 -9.633 -3.113 -5.428 1.00 71.23 N ATOM 185 CA LEU A 460 -10.302 -1.843 -5.660 1.00 32.42 C ATOM 186 C LEU A 460 -9.358 -0.868 -6.255 1.00 1.20 C ATOM 187 O LEU A 460 -8.224 -0.738 -5.805 1.00 55.23 O ATOM 188 CB LEU A 460 -10.914 -1.210 -4.374 1.00 11.04 C ATOM 189 CG LEU A 460 -12.106 -1.906 -3.691 1.00 72.40 C ATOM 190 CD1 LEU A 460 -11.722 -3.240 -3.126 1.00 24.25 C ATOM 191 CD2 LEU A 460 -12.678 -1.020 -2.605 1.00 5.14 C ATOM 0 H LEU A 460 -8.745 -3.032 -4.934 1.00 71.23 H new ATOM 0 HA LEU A 460 -11.124 -2.066 -6.340 1.00 32.42 H new ATOM 0 HB2 LEU A 460 -10.116 -1.127 -3.637 1.00 11.04 H new ATOM 0 HB3 LEU A 460 -11.225 -0.195 -4.623 1.00 11.04 H new ATOM 0 HG LEU A 460 -12.868 -2.078 -4.451 1.00 72.40 H new ATOM 0 HD11 LEU A 460 -12.590 -3.698 -2.653 1.00 24.25 H new ATOM 0 HD12 LEU A 460 -11.363 -3.885 -3.928 1.00 24.25 H new ATOM 0 HD13 LEU A 460 -10.933 -3.108 -2.386 1.00 24.25 H new ATOM 0 HD21 LEU A 460 -13.520 -1.524 -2.130 1.00 5.14 H new ATOM 0 HD22 LEU A 460 -11.910 -0.816 -1.859 1.00 5.14 H new ATOM 0 HD23 LEU A 460 -13.017 -0.081 -3.042 1.00 5.14 H new ATOM 203 N ASN A 461 -9.805 -0.202 -7.257 1.00 54.01 N ATOM 204 CA ASN A 461 -9.012 0.827 -7.895 1.00 63.21 C ATOM 205 C ASN A 461 -9.367 2.175 -7.294 1.00 23.02 C ATOM 206 O ASN A 461 -10.495 2.636 -7.393 1.00 3.30 O ATOM 207 CB ASN A 461 -9.158 0.807 -9.439 1.00 55.41 C ATOM 208 CG ASN A 461 -10.593 0.911 -9.941 1.00 53.11 C ATOM 209 OD1 ASN A 461 -11.118 2.005 -10.146 1.00 71.53 O ATOM 210 ND2 ASN A 461 -11.220 -0.222 -10.174 1.00 24.00 N ATOM 0 H ASN A 461 -10.727 -0.342 -7.670 1.00 54.01 H new ATOM 0 HA ASN A 461 -7.957 0.629 -7.704 1.00 63.21 H new ATOM 0 HB2 ASN A 461 -8.580 1.632 -9.856 1.00 55.41 H new ATOM 0 HB3 ASN A 461 -8.719 -0.115 -9.821 1.00 55.41 H new ATOM 0 HD21 ASN A 461 -12.173 -0.212 -10.537 1.00 24.00 H new ATOM 0 HD22 ASN A 461 -10.753 -1.110 -9.992 1.00 24.00 H new ATOM 217 N ILE A 462 -8.412 2.772 -6.650 1.00 63.31 N ATOM 218 CA ILE A 462 -8.598 4.001 -5.910 1.00 2.11 C ATOM 219 C ILE A 462 -7.681 5.094 -6.456 1.00 74.50 C ATOM 220 O ILE A 462 -6.573 4.814 -6.849 1.00 23.31 O ATOM 221 CB ILE A 462 -8.256 3.742 -4.405 1.00 42.22 C ATOM 222 CG1 ILE A 462 -9.216 2.705 -3.794 1.00 32.25 C ATOM 223 CG2 ILE A 462 -8.250 5.018 -3.595 1.00 31.35 C ATOM 224 CD1 ILE A 462 -8.950 2.397 -2.335 1.00 42.11 C ATOM 0 H ILE A 462 -7.456 2.417 -6.618 1.00 63.31 H new ATOM 0 HA ILE A 462 -9.633 4.328 -6.011 1.00 2.11 H new ATOM 0 HB ILE A 462 -7.245 3.336 -4.370 1.00 42.22 H new ATOM 0 HG12 ILE A 462 -10.239 3.068 -3.897 1.00 32.25 H new ATOM 0 HG13 ILE A 462 -9.147 1.781 -4.367 1.00 32.25 H new ATOM 0 HG21 ILE A 462 -8.008 4.789 -2.557 1.00 31.35 H new ATOM 0 HG22 ILE A 462 -7.504 5.702 -3.999 1.00 31.35 H new ATOM 0 HG23 ILE A 462 -9.234 5.484 -3.644 1.00 31.35 H new ATOM 0 HD11 ILE A 462 -9.670 1.658 -1.982 1.00 42.11 H new ATOM 0 HD12 ILE A 462 -7.940 2.002 -2.225 1.00 42.11 H new ATOM 0 HD13 ILE A 462 -9.049 3.309 -1.747 1.00 42.11 H new ATOM 236 N GLN A 463 -8.155 6.315 -6.514 1.00 71.31 N ATOM 237 CA GLN A 463 -7.321 7.427 -6.936 1.00 41.23 C ATOM 238 C GLN A 463 -7.268 8.547 -5.896 1.00 24.11 C ATOM 239 O GLN A 463 -8.304 8.991 -5.386 1.00 24.43 O ATOM 240 CB GLN A 463 -7.715 7.968 -8.314 1.00 40.45 C ATOM 241 CG GLN A 463 -7.357 7.063 -9.482 1.00 62.20 C ATOM 242 CD GLN A 463 -7.735 7.665 -10.826 1.00 65.51 C ATOM 243 OE1 GLN A 463 -7.748 8.889 -10.995 1.00 34.14 O ATOM 244 NE2 GLN A 463 -8.036 6.827 -11.790 1.00 75.54 N ATOM 0 H GLN A 463 -9.113 6.569 -6.275 1.00 71.31 H new ATOM 0 HA GLN A 463 -6.313 7.022 -7.026 1.00 41.23 H new ATOM 0 HB2 GLN A 463 -8.791 8.144 -8.325 1.00 40.45 H new ATOM 0 HB3 GLN A 463 -7.233 8.934 -8.461 1.00 40.45 H new ATOM 0 HG2 GLN A 463 -6.286 6.863 -9.466 1.00 62.20 H new ATOM 0 HG3 GLN A 463 -7.862 6.105 -9.362 1.00 62.20 H new ATOM 0 HE21 GLN A 463 -8.015 5.822 -11.617 1.00 75.54 H new ATOM 0 HE22 GLN A 463 -8.290 7.181 -12.712 1.00 75.54 H new ATOM 253 N LEU A 464 -6.056 8.975 -5.582 1.00 50.21 N ATOM 254 CA LEU A 464 -5.790 10.054 -4.648 1.00 0.33 C ATOM 255 C LEU A 464 -5.149 11.194 -5.373 1.00 43.21 C ATOM 256 O LEU A 464 -4.211 10.997 -6.131 1.00 25.03 O ATOM 257 CB LEU A 464 -4.850 9.597 -3.527 1.00 1.40 C ATOM 258 CG LEU A 464 -5.442 8.771 -2.381 1.00 21.42 C ATOM 259 CD1 LEU A 464 -6.464 9.566 -1.602 1.00 34.32 C ATOM 260 CD2 LEU A 464 -6.029 7.472 -2.836 1.00 61.35 C ATOM 0 H LEU A 464 -5.209 8.570 -5.981 1.00 50.21 H new ATOM 0 HA LEU A 464 -6.739 10.362 -4.209 1.00 0.33 H new ATOM 0 HB2 LEU A 464 -4.050 9.012 -3.981 1.00 1.40 H new ATOM 0 HB3 LEU A 464 -4.390 10.486 -3.095 1.00 1.40 H new ATOM 0 HG LEU A 464 -4.607 8.529 -1.724 1.00 21.42 H new ATOM 0 HD11 LEU A 464 -6.865 8.952 -0.796 1.00 34.32 H new ATOM 0 HD12 LEU A 464 -5.991 10.453 -1.181 1.00 34.32 H new ATOM 0 HD13 LEU A 464 -7.274 9.867 -2.266 1.00 34.32 H new ATOM 0 HD21 LEU A 464 -6.432 6.934 -1.978 1.00 61.35 H new ATOM 0 HD22 LEU A 464 -6.829 7.665 -3.551 1.00 61.35 H new ATOM 0 HD23 LEU A 464 -5.255 6.870 -3.311 1.00 61.35 H new ATOM 272 N LYS A 465 -5.622 12.371 -5.135 1.00 63.01 N ATOM 273 CA LYS A 465 -5.129 13.504 -5.787 1.00 1.45 C ATOM 274 C LYS A 465 -4.230 14.261 -4.874 1.00 44.00 C ATOM 275 O LYS A 465 -4.526 14.451 -3.690 1.00 52.52 O ATOM 276 CB LYS A 465 -6.250 14.392 -6.220 1.00 33.51 C ATOM 277 CG LYS A 465 -5.795 15.548 -7.121 1.00 1.12 C ATOM 278 CD LYS A 465 -6.904 16.532 -7.343 1.00 31.03 C ATOM 279 CE LYS A 465 -7.228 17.237 -6.050 1.00 75.43 C ATOM 280 NZ LYS A 465 -6.154 18.177 -5.615 1.00 71.21 N ATOM 0 H LYS A 465 -6.372 12.560 -4.470 1.00 63.01 H new ATOM 0 HA LYS A 465 -4.574 13.179 -6.667 1.00 1.45 H new ATOM 0 HB2 LYS A 465 -6.992 13.796 -6.752 1.00 33.51 H new ATOM 0 HB3 LYS A 465 -6.743 14.800 -5.338 1.00 33.51 H new ATOM 0 HG2 LYS A 465 -4.943 16.053 -6.666 1.00 1.12 H new ATOM 0 HG3 LYS A 465 -5.458 15.154 -8.080 1.00 1.12 H new ATOM 0 HD2 LYS A 465 -6.611 17.259 -8.101 1.00 31.03 H new ATOM 0 HD3 LYS A 465 -7.789 16.018 -7.719 1.00 31.03 H new ATOM 0 HE2 LYS A 465 -8.161 17.789 -6.167 1.00 75.43 H new ATOM 0 HE3 LYS A 465 -7.392 16.495 -5.269 1.00 75.43 H new ATOM 0 HZ1 LYS A 465 -6.460 18.682 -4.759 1.00 71.21 H new ATOM 0 HZ2 LYS A 465 -5.286 17.642 -5.409 1.00 71.21 H new ATOM 0 HZ3 LYS A 465 -5.966 18.864 -6.373 1.00 71.21 H new ATOM 294 N LYS A 466 -3.145 14.651 -5.402 1.00 54.25 N ATOM 295 CA LYS A 466 -2.192 15.482 -4.718 1.00 50.34 C ATOM 296 C LYS A 466 -2.866 16.801 -4.298 1.00 0.12 C ATOM 297 O LYS A 466 -3.511 17.470 -5.109 1.00 22.50 O ATOM 298 CB LYS A 466 -0.980 15.726 -5.624 1.00 45.34 C ATOM 299 CG LYS A 466 0.067 16.669 -5.051 1.00 11.45 C ATOM 300 CD LYS A 466 1.285 16.791 -5.967 1.00 62.33 C ATOM 301 CE LYS A 466 0.919 17.232 -7.389 1.00 30.44 C ATOM 302 NZ LYS A 466 0.198 18.522 -7.429 1.00 32.21 N ATOM 0 H LYS A 466 -2.867 14.405 -6.352 1.00 54.25 H new ATOM 0 HA LYS A 466 -1.839 14.984 -3.815 1.00 50.34 H new ATOM 0 HB2 LYS A 466 -0.507 14.768 -5.839 1.00 45.34 H new ATOM 0 HB3 LYS A 466 -1.330 16.129 -6.574 1.00 45.34 H new ATOM 0 HG2 LYS A 466 -0.375 17.654 -4.901 1.00 11.45 H new ATOM 0 HG3 LYS A 466 0.383 16.309 -4.072 1.00 11.45 H new ATOM 0 HD2 LYS A 466 1.985 17.508 -5.538 1.00 62.33 H new ATOM 0 HD3 LYS A 466 1.799 15.831 -6.011 1.00 62.33 H new ATOM 0 HE2 LYS A 466 1.829 17.313 -7.983 1.00 30.44 H new ATOM 0 HE3 LYS A 466 0.302 16.463 -7.854 1.00 30.44 H new ATOM 0 HZ1 LYS A 466 -0.007 18.775 -8.417 1.00 32.21 H new ATOM 0 HZ2 LYS A 466 -0.694 18.438 -6.901 1.00 32.21 H new ATOM 0 HZ3 LYS A 466 0.787 19.262 -6.997 1.00 32.21 H new ATOM 316 N GLY A 467 -2.760 17.115 -3.032 1.00 35.24 N ATOM 317 CA GLY A 467 -3.356 18.309 -2.495 1.00 1.43 C ATOM 318 C GLY A 467 -2.450 18.974 -1.485 1.00 74.31 C ATOM 319 O GLY A 467 -1.235 19.018 -1.692 1.00 33.54 O ATOM 0 H GLY A 467 -2.259 16.550 -2.346 1.00 35.24 H new ATOM 0 HA2 GLY A 467 -3.572 19.005 -3.305 1.00 1.43 H new ATOM 0 HA3 GLY A 467 -4.308 18.062 -2.025 1.00 1.43 H new ATOM 323 N THR A 468 -3.032 19.445 -0.387 1.00 33.52 N ATOM 324 CA THR A 468 -2.318 20.169 0.662 1.00 34.03 C ATOM 325 C THR A 468 -1.025 19.431 1.145 1.00 42.24 C ATOM 326 O THR A 468 0.087 19.881 0.839 1.00 72.31 O ATOM 327 CB THR A 468 -3.288 20.605 1.835 1.00 22.13 C ATOM 328 OG1 THR A 468 -2.596 21.336 2.851 1.00 55.01 O ATOM 329 CG2 THR A 468 -4.041 19.429 2.457 1.00 53.30 C ATOM 0 H THR A 468 -4.028 19.333 -0.197 1.00 33.52 H new ATOM 0 HA THR A 468 -1.950 21.094 0.219 1.00 34.03 H new ATOM 0 HB THR A 468 -4.028 21.259 1.374 1.00 22.13 H new ATOM 0 HG1 THR A 468 -1.964 20.743 3.308 1.00 55.01 H new ATOM 0 HG21 THR A 468 -4.689 19.793 3.254 1.00 53.30 H new ATOM 0 HG22 THR A 468 -4.645 18.939 1.693 1.00 53.30 H new ATOM 0 HG23 THR A 468 -3.326 18.715 2.867 1.00 53.30 H new ATOM 337 N GLU A 469 -1.150 18.314 1.859 1.00 34.52 N ATOM 338 CA GLU A 469 0.032 17.541 2.234 1.00 73.54 C ATOM 339 C GLU A 469 0.309 16.460 1.197 1.00 63.02 C ATOM 340 O GLU A 469 1.306 15.736 1.275 1.00 54.43 O ATOM 341 CB GLU A 469 -0.049 16.953 3.668 1.00 43.23 C ATOM 342 CG GLU A 469 0.172 17.957 4.825 1.00 14.05 C ATOM 343 CD GLU A 469 -0.882 19.040 4.973 1.00 12.51 C ATOM 344 OE1 GLU A 469 -0.856 20.023 4.223 1.00 60.10 O ATOM 345 OE2 GLU A 469 -1.728 18.940 5.879 1.00 33.43 O ATOM 0 H GLU A 469 -2.037 17.930 2.184 1.00 34.52 H new ATOM 0 HA GLU A 469 0.873 18.234 2.251 1.00 73.54 H new ATOM 0 HB2 GLU A 469 -1.028 16.492 3.796 1.00 43.23 H new ATOM 0 HB3 GLU A 469 0.692 16.158 3.756 1.00 43.23 H new ATOM 0 HG2 GLU A 469 0.225 17.399 5.760 1.00 14.05 H new ATOM 0 HG3 GLU A 469 1.141 18.436 4.684 1.00 14.05 H new ATOM 352 N GLY A 470 -0.589 16.395 0.206 1.00 12.11 N ATOM 353 CA GLY A 470 -0.504 15.430 -0.884 1.00 22.31 C ATOM 354 C GLY A 470 -0.407 14.020 -0.415 1.00 1.54 C ATOM 355 O GLY A 470 -0.918 13.721 0.629 1.00 23.04 O ATOM 0 H GLY A 470 -1.396 17.015 0.143 1.00 12.11 H new ATOM 0 HA2 GLY A 470 -1.382 15.534 -1.522 1.00 22.31 H new ATOM 0 HA3 GLY A 470 0.366 15.662 -1.499 1.00 22.31 H new ATOM 359 N LEU A 471 0.269 13.157 -1.169 1.00 54.25 N ATOM 360 CA LEU A 471 0.298 11.716 -0.865 1.00 44.52 C ATOM 361 C LEU A 471 0.737 11.463 0.562 1.00 23.21 C ATOM 362 O LEU A 471 1.920 11.503 0.886 1.00 13.24 O ATOM 363 CB LEU A 471 1.170 10.953 -1.852 1.00 4.31 C ATOM 364 CG LEU A 471 0.823 11.156 -3.323 1.00 11.24 C ATOM 365 CD1 LEU A 471 1.770 10.377 -4.185 1.00 22.34 C ATOM 366 CD2 LEU A 471 -0.617 10.744 -3.608 1.00 13.15 C ATOM 0 H LEU A 471 0.805 13.423 -1.995 1.00 54.25 H new ATOM 0 HA LEU A 471 -0.720 11.342 -0.971 1.00 44.52 H new ATOM 0 HB2 LEU A 471 2.208 11.247 -1.697 1.00 4.31 H new ATOM 0 HB3 LEU A 471 1.103 9.889 -1.624 1.00 4.31 H new ATOM 0 HG LEU A 471 0.921 12.216 -3.556 1.00 11.24 H new ATOM 0 HD11 LEU A 471 1.515 10.528 -5.234 1.00 22.34 H new ATOM 0 HD12 LEU A 471 2.789 10.719 -4.007 1.00 22.34 H new ATOM 0 HD13 LEU A 471 1.695 9.317 -3.942 1.00 22.34 H new ATOM 0 HD21 LEU A 471 -0.838 10.899 -4.664 1.00 13.15 H new ATOM 0 HD22 LEU A 471 -0.750 9.691 -3.360 1.00 13.15 H new ATOM 0 HD23 LEU A 471 -1.294 11.347 -3.003 1.00 13.15 H new ATOM 378 N GLY A 472 -0.248 11.232 1.402 1.00 33.13 N ATOM 379 CA GLY A 472 -0.032 11.099 2.795 1.00 3.44 C ATOM 380 C GLY A 472 -0.425 9.762 3.268 1.00 13.02 C ATOM 381 O GLY A 472 -1.258 9.624 4.138 1.00 43.32 O ATOM 0 H GLY A 472 -1.223 11.133 1.119 1.00 33.13 H new ATOM 0 HA2 GLY A 472 1.020 11.273 3.021 1.00 3.44 H new ATOM 0 HA3 GLY A 472 -0.603 11.859 3.329 1.00 3.44 H new ATOM 385 N PHE A 473 0.121 8.794 2.654 1.00 33.42 N ATOM 386 CA PHE A 473 -0.035 7.455 3.050 1.00 71.42 C ATOM 387 C PHE A 473 1.281 6.754 2.962 1.00 3.23 C ATOM 388 O PHE A 473 2.068 7.004 2.052 1.00 2.11 O ATOM 389 CB PHE A 473 -1.175 6.745 2.286 1.00 1.50 C ATOM 390 CG PHE A 473 -1.126 6.803 0.781 1.00 4.45 C ATOM 391 CD1 PHE A 473 -1.542 7.946 0.112 1.00 43.40 C ATOM 392 CD2 PHE A 473 -0.708 5.711 0.034 1.00 74.53 C ATOM 393 CE1 PHE A 473 -1.538 8.003 -1.258 1.00 13.31 C ATOM 394 CE2 PHE A 473 -0.701 5.768 -1.347 1.00 13.21 C ATOM 395 CZ PHE A 473 -1.119 6.919 -1.988 1.00 10.22 C ATOM 0 H PHE A 473 0.711 8.914 1.831 1.00 33.42 H new ATOM 0 HA PHE A 473 -0.352 7.425 4.092 1.00 71.42 H new ATOM 0 HB2 PHE A 473 -1.183 5.697 2.585 1.00 1.50 H new ATOM 0 HB3 PHE A 473 -2.122 7.176 2.612 1.00 1.50 H new ATOM 0 HD1 PHE A 473 -1.874 8.803 0.679 1.00 43.40 H new ATOM 0 HD2 PHE A 473 -0.386 4.810 0.535 1.00 74.53 H new ATOM 0 HE1 PHE A 473 -1.864 8.900 -1.762 1.00 13.31 H new ATOM 0 HE2 PHE A 473 -0.370 4.916 -1.923 1.00 13.21 H new ATOM 0 HZ PHE A 473 -1.116 6.965 -3.067 1.00 10.22 H new ATOM 405 N SER A 474 1.526 5.913 3.908 1.00 54.54 N ATOM 406 CA SER A 474 2.774 5.229 4.019 1.00 21.41 C ATOM 407 C SER A 474 2.546 3.744 3.903 1.00 24.31 C ATOM 408 O SER A 474 1.490 3.240 4.300 1.00 13.15 O ATOM 409 CB SER A 474 3.415 5.560 5.367 1.00 63.54 C ATOM 410 OG SER A 474 3.576 6.967 5.531 1.00 31.13 O ATOM 0 H SER A 474 0.856 5.676 4.639 1.00 54.54 H new ATOM 0 HA SER A 474 3.442 5.548 3.219 1.00 21.41 H new ATOM 0 HB2 SER A 474 2.796 5.166 6.173 1.00 63.54 H new ATOM 0 HB3 SER A 474 4.386 5.069 5.441 1.00 63.54 H new ATOM 0 HG SER A 474 3.986 7.150 6.402 1.00 31.13 H new ATOM 416 N ILE A 475 3.509 3.055 3.373 1.00 32.01 N ATOM 417 CA ILE A 475 3.423 1.633 3.188 1.00 23.41 C ATOM 418 C ILE A 475 4.378 0.884 4.107 1.00 34.32 C ATOM 419 O ILE A 475 5.403 1.420 4.537 1.00 74.12 O ATOM 420 CB ILE A 475 3.697 1.219 1.725 1.00 71.35 C ATOM 421 CG1 ILE A 475 5.011 1.849 1.227 1.00 11.42 C ATOM 422 CG2 ILE A 475 2.506 1.544 0.809 1.00 10.12 C ATOM 423 CD1 ILE A 475 5.413 1.420 -0.159 1.00 34.44 C ATOM 0 H ILE A 475 4.386 3.465 3.053 1.00 32.01 H new ATOM 0 HA ILE A 475 2.399 1.361 3.442 1.00 23.41 H new ATOM 0 HB ILE A 475 3.817 0.136 1.691 1.00 71.35 H new ATOM 0 HG12 ILE A 475 4.910 2.934 1.245 1.00 11.42 H new ATOM 0 HG13 ILE A 475 5.811 1.592 1.921 1.00 11.42 H new ATOM 0 HG21 ILE A 475 2.738 1.238 -0.211 1.00 10.12 H new ATOM 0 HG22 ILE A 475 1.623 1.008 1.157 1.00 10.12 H new ATOM 0 HG23 ILE A 475 2.312 2.616 0.831 1.00 10.12 H new ATOM 0 HD11 ILE A 475 6.348 1.908 -0.434 1.00 34.44 H new ATOM 0 HD12 ILE A 475 5.548 0.339 -0.180 1.00 34.44 H new ATOM 0 HD13 ILE A 475 4.634 1.702 -0.867 1.00 34.44 H new ATOM 435 N THR A 476 4.021 -0.327 4.405 1.00 22.21 N ATOM 436 CA THR A 476 4.813 -1.213 5.198 1.00 61.03 C ATOM 437 C THR A 476 4.831 -2.558 4.497 1.00 1.11 C ATOM 438 O THR A 476 3.987 -2.817 3.638 1.00 75.32 O ATOM 439 CB THR A 476 4.250 -1.368 6.652 1.00 2.25 C ATOM 440 OG1 THR A 476 5.118 -2.191 7.441 1.00 32.24 O ATOM 441 CG2 THR A 476 2.848 -1.968 6.652 1.00 12.24 C ATOM 0 H THR A 476 3.142 -0.738 4.092 1.00 22.21 H new ATOM 0 HA THR A 476 5.819 -0.805 5.298 1.00 61.03 H new ATOM 0 HB THR A 476 4.197 -0.369 7.086 1.00 2.25 H new ATOM 0 HG1 THR A 476 4.754 -2.277 8.347 1.00 32.24 H new ATOM 0 HG21 THR A 476 2.492 -2.060 7.678 1.00 12.24 H new ATOM 0 HG22 THR A 476 2.175 -1.320 6.091 1.00 12.24 H new ATOM 0 HG23 THR A 476 2.874 -2.954 6.187 1.00 12.24 H new ATOM 449 N SER A 477 5.778 -3.370 4.806 1.00 4.21 N ATOM 450 CA SER A 477 5.867 -4.660 4.223 1.00 73.01 C ATOM 451 C SER A 477 6.050 -5.700 5.304 1.00 2.30 C ATOM 452 O SER A 477 6.513 -5.390 6.418 1.00 72.50 O ATOM 453 CB SER A 477 6.984 -4.705 3.165 1.00 24.14 C ATOM 454 OG SER A 477 8.218 -4.228 3.686 1.00 30.42 O ATOM 0 H SER A 477 6.518 -3.156 5.475 1.00 4.21 H new ATOM 0 HA SER A 477 4.937 -4.888 3.702 1.00 73.01 H new ATOM 0 HB2 SER A 477 7.109 -5.728 2.811 1.00 24.14 H new ATOM 0 HB3 SER A 477 6.695 -4.103 2.304 1.00 24.14 H new ATOM 0 HG SER A 477 8.207 -3.248 3.709 1.00 30.42 H new ATOM 580 N PRO A 487 4.594 -8.689 0.234 1.00 13.33 N ATOM 581 CA PRO A 487 3.389 -7.919 0.069 1.00 62.53 C ATOM 582 C PRO A 487 3.482 -6.538 0.740 1.00 13.34 C ATOM 583 O PRO A 487 3.960 -6.402 1.885 1.00 55.21 O ATOM 584 CB PRO A 487 2.316 -8.781 0.738 1.00 10.02 C ATOM 585 CG PRO A 487 3.050 -9.783 1.590 1.00 33.22 C ATOM 586 CD PRO A 487 4.525 -9.522 1.426 1.00 61.42 C ATOM 0 HA PRO A 487 3.181 -7.706 -0.980 1.00 62.53 H new ATOM 0 HB2 PRO A 487 1.648 -8.169 1.345 1.00 10.02 H new ATOM 0 HB3 PRO A 487 1.699 -9.282 -0.008 1.00 10.02 H new ATOM 0 HG2 PRO A 487 2.757 -9.685 2.635 1.00 33.22 H new ATOM 0 HG3 PRO A 487 2.804 -10.800 1.284 1.00 33.22 H new ATOM 0 HD2 PRO A 487 4.941 -9.013 2.295 1.00 61.42 H new ATOM 0 HD3 PRO A 487 5.085 -10.449 1.301 1.00 61.42 H new ATOM 594 N ILE A 488 3.025 -5.531 0.029 1.00 60.41 N ATOM 595 CA ILE A 488 3.062 -4.161 0.500 1.00 52.44 C ATOM 596 C ILE A 488 1.699 -3.790 1.107 1.00 52.43 C ATOM 597 O ILE A 488 0.658 -4.114 0.548 1.00 73.13 O ATOM 598 CB ILE A 488 3.403 -3.194 -0.672 1.00 3.53 C ATOM 599 CG1 ILE A 488 4.743 -3.581 -1.340 1.00 21.40 C ATOM 600 CG2 ILE A 488 3.443 -1.754 -0.201 1.00 2.23 C ATOM 601 CD1 ILE A 488 5.948 -3.561 -0.412 1.00 44.11 C ATOM 0 H ILE A 488 2.614 -5.639 -0.898 1.00 60.41 H new ATOM 0 HA ILE A 488 3.836 -4.068 1.262 1.00 52.44 H new ATOM 0 HB ILE A 488 2.610 -3.287 -1.415 1.00 3.53 H new ATOM 0 HG12 ILE A 488 4.646 -4.580 -1.765 1.00 21.40 H new ATOM 0 HG13 ILE A 488 4.930 -2.899 -2.169 1.00 21.40 H new ATOM 0 HG21 ILE A 488 3.683 -1.103 -1.041 1.00 2.23 H new ATOM 0 HG22 ILE A 488 2.470 -1.477 0.206 1.00 2.23 H new ATOM 0 HG23 ILE A 488 4.204 -1.645 0.572 1.00 2.23 H new ATOM 0 HD11 ILE A 488 6.841 -3.846 -0.969 1.00 44.11 H new ATOM 0 HD12 ILE A 488 6.078 -2.558 -0.006 1.00 44.11 H new ATOM 0 HD13 ILE A 488 5.790 -4.265 0.405 1.00 44.11 H new ATOM 613 N TYR A 489 1.714 -3.127 2.239 1.00 71.44 N ATOM 614 CA TYR A 489 0.495 -2.780 2.950 1.00 52.03 C ATOM 615 C TYR A 489 0.474 -1.330 3.299 1.00 13.34 C ATOM 616 O TYR A 489 1.517 -0.710 3.435 1.00 42.25 O ATOM 617 CB TYR A 489 0.369 -3.613 4.232 1.00 20.43 C ATOM 618 CG TYR A 489 0.285 -5.068 3.952 1.00 53.24 C ATOM 619 CD1 TYR A 489 -0.891 -5.608 3.520 1.00 63.54 C ATOM 620 CD2 TYR A 489 1.388 -5.899 4.076 1.00 14.14 C ATOM 621 CE1 TYR A 489 -0.994 -6.927 3.214 1.00 22.23 C ATOM 622 CE2 TYR A 489 1.296 -7.233 3.762 1.00 44.21 C ATOM 623 CZ TYR A 489 0.093 -7.742 3.330 1.00 33.32 C ATOM 624 OH TYR A 489 -0.017 -9.069 2.990 1.00 70.21 O ATOM 0 H TYR A 489 2.569 -2.811 2.697 1.00 71.44 H new ATOM 0 HA TYR A 489 -0.347 -2.996 2.292 1.00 52.03 H new ATOM 0 HB2 TYR A 489 1.227 -3.418 4.875 1.00 20.43 H new ATOM 0 HB3 TYR A 489 -0.519 -3.299 4.781 1.00 20.43 H new ATOM 0 HD1 TYR A 489 -1.759 -4.973 3.419 1.00 63.54 H new ATOM 0 HD2 TYR A 489 2.327 -5.494 4.422 1.00 14.14 H new ATOM 0 HE1 TYR A 489 -1.938 -7.331 2.878 1.00 22.23 H new ATOM 0 HE2 TYR A 489 2.159 -7.876 3.853 1.00 44.21 H new ATOM 0 HH TYR A 489 0.481 -9.614 3.634 1.00 70.21 H new ATOM 634 N VAL A 490 -0.704 -0.786 3.445 1.00 72.44 N ATOM 635 CA VAL A 490 -0.846 0.584 3.853 1.00 60.15 C ATOM 636 C VAL A 490 -0.665 0.639 5.359 1.00 65.12 C ATOM 637 O VAL A 490 -1.416 0.010 6.108 1.00 41.23 O ATOM 638 CB VAL A 490 -2.228 1.167 3.476 1.00 21.51 C ATOM 639 CG1 VAL A 490 -2.301 2.640 3.840 1.00 3.24 C ATOM 640 CG2 VAL A 490 -2.512 0.975 1.996 1.00 0.43 C ATOM 0 H VAL A 490 -1.585 -1.275 3.286 1.00 72.44 H new ATOM 0 HA VAL A 490 -0.096 1.184 3.337 1.00 60.15 H new ATOM 0 HB VAL A 490 -2.988 0.629 4.042 1.00 21.51 H new ATOM 0 HG11 VAL A 490 -3.280 3.034 3.568 1.00 3.24 H new ATOM 0 HG12 VAL A 490 -2.148 2.758 4.913 1.00 3.24 H new ATOM 0 HG13 VAL A 490 -1.527 3.187 3.301 1.00 3.24 H new ATOM 0 HG21 VAL A 490 -3.490 1.393 1.756 1.00 0.43 H new ATOM 0 HG22 VAL A 490 -1.746 1.483 1.410 1.00 0.43 H new ATOM 0 HG23 VAL A 490 -2.504 -0.089 1.759 1.00 0.43 H new ATOM 650 N LYS A 491 0.320 1.369 5.783 1.00 24.54 N ATOM 651 CA LYS A 491 0.687 1.453 7.174 1.00 5.01 C ATOM 652 C LYS A 491 0.038 2.649 7.816 1.00 53.22 C ATOM 653 O LYS A 491 -0.533 2.565 8.901 1.00 3.43 O ATOM 654 CB LYS A 491 2.200 1.628 7.280 1.00 62.12 C ATOM 655 CG LYS A 491 2.739 1.591 8.653 1.00 10.11 C ATOM 656 CD LYS A 491 4.216 1.849 8.631 1.00 32.12 C ATOM 657 CE LYS A 491 4.808 1.412 9.913 1.00 31.51 C ATOM 658 NZ LYS A 491 6.258 1.689 10.002 1.00 13.21 N ATOM 0 H LYS A 491 0.904 1.934 5.167 1.00 24.54 H new ATOM 0 HA LYS A 491 0.361 0.542 7.676 1.00 5.01 H new ATOM 0 HB2 LYS A 491 2.683 0.845 6.695 1.00 62.12 H new ATOM 0 HB3 LYS A 491 2.473 2.580 6.824 1.00 62.12 H new ATOM 0 HG2 LYS A 491 2.240 2.339 9.269 1.00 10.11 H new ATOM 0 HG3 LYS A 491 2.538 0.620 9.106 1.00 10.11 H new ATOM 0 HD2 LYS A 491 4.678 1.312 7.802 1.00 32.12 H new ATOM 0 HD3 LYS A 491 4.409 2.910 8.471 1.00 32.12 H new ATOM 0 HE2 LYS A 491 4.296 1.915 10.734 1.00 31.51 H new ATOM 0 HE3 LYS A 491 4.639 0.343 10.039 1.00 31.51 H new ATOM 0 HZ1 LYS A 491 6.618 1.362 10.921 1.00 13.21 H new ATOM 0 HZ2 LYS A 491 6.755 1.189 9.237 1.00 13.21 H new ATOM 0 HZ3 LYS A 491 6.422 2.712 9.910 1.00 13.21 H new ATOM 672 N ASN A 492 0.124 3.759 7.145 1.00 65.25 N ATOM 673 CA ASN A 492 -0.327 5.008 7.719 1.00 24.43 C ATOM 674 C ASN A 492 -1.091 5.794 6.694 1.00 44.43 C ATOM 675 O ASN A 492 -0.764 5.769 5.512 1.00 14.35 O ATOM 676 CB ASN A 492 0.900 5.814 8.147 1.00 42.30 C ATOM 677 CG ASN A 492 0.630 7.048 9.026 1.00 10.54 C ATOM 678 OD1 ASN A 492 -0.408 7.685 8.956 1.00 23.23 O ATOM 679 ND2 ASN A 492 1.587 7.390 9.849 1.00 62.15 N ATOM 0 H ASN A 492 0.501 3.833 6.200 1.00 65.25 H new ATOM 0 HA ASN A 492 -0.973 4.808 8.574 1.00 24.43 H new ATOM 0 HB2 ASN A 492 1.575 5.150 8.687 1.00 42.30 H new ATOM 0 HB3 ASN A 492 1.425 6.141 7.250 1.00 42.30 H new ATOM 0 HD21 ASN A 492 1.475 8.206 10.451 1.00 62.15 H new ATOM 0 HD22 ASN A 492 2.446 6.841 9.889 1.00 62.15 H new ATOM 686 N ILE A 493 -2.104 6.433 7.153 1.00 1.30 N ATOM 687 CA ILE A 493 -2.914 7.351 6.402 1.00 52.34 C ATOM 688 C ILE A 493 -2.893 8.656 7.163 1.00 54.32 C ATOM 689 O ILE A 493 -3.531 8.778 8.219 1.00 71.44 O ATOM 690 CB ILE A 493 -4.379 6.828 6.267 1.00 54.12 C ATOM 691 CG1 ILE A 493 -4.442 5.591 5.384 1.00 55.00 C ATOM 692 CG2 ILE A 493 -5.360 7.892 5.780 1.00 73.30 C ATOM 693 CD1 ILE A 493 -4.070 5.824 3.943 1.00 62.12 C ATOM 0 H ILE A 493 -2.417 6.331 8.118 1.00 1.30 H new ATOM 0 HA ILE A 493 -2.526 7.470 5.390 1.00 52.34 H new ATOM 0 HB ILE A 493 -4.694 6.557 7.275 1.00 54.12 H new ATOM 0 HG12 ILE A 493 -3.778 4.832 5.798 1.00 55.00 H new ATOM 0 HG13 ILE A 493 -5.453 5.185 5.423 1.00 55.00 H new ATOM 0 HG21 ILE A 493 -6.359 7.461 5.709 1.00 73.30 H new ATOM 0 HG22 ILE A 493 -5.373 8.724 6.484 1.00 73.30 H new ATOM 0 HG23 ILE A 493 -5.049 8.252 4.799 1.00 73.30 H new ATOM 0 HD11 ILE A 493 -4.144 4.887 3.392 1.00 62.12 H new ATOM 0 HD12 ILE A 493 -4.749 6.557 3.506 1.00 62.12 H new ATOM 0 HD13 ILE A 493 -3.048 6.198 3.887 1.00 62.12 H new ATOM 705 N LEU A 494 -2.102 9.581 6.689 1.00 13.34 N ATOM 706 CA LEU A 494 -1.979 10.871 7.310 1.00 70.31 C ATOM 707 C LEU A 494 -3.279 11.647 7.212 1.00 54.11 C ATOM 708 O LEU A 494 -3.814 11.859 6.110 1.00 14.21 O ATOM 709 CB LEU A 494 -0.784 11.694 6.758 1.00 64.04 C ATOM 710 CG LEU A 494 0.650 11.220 7.124 1.00 13.32 C ATOM 711 CD1 LEU A 494 0.833 11.159 8.627 1.00 22.40 C ATOM 712 CD2 LEU A 494 1.015 9.885 6.482 1.00 23.33 C ATOM 0 H LEU A 494 -1.523 9.460 5.858 1.00 13.34 H new ATOM 0 HA LEU A 494 -1.765 10.693 8.364 1.00 70.31 H new ATOM 0 HB2 LEU A 494 -0.864 11.713 5.671 1.00 64.04 H new ATOM 0 HB3 LEU A 494 -0.896 12.722 7.104 1.00 64.04 H new ATOM 0 HG LEU A 494 1.335 11.963 6.716 1.00 13.32 H new ATOM 0 HD11 LEU A 494 1.845 10.825 8.857 1.00 22.40 H new ATOM 0 HD12 LEU A 494 0.672 12.149 9.054 1.00 22.40 H new ATOM 0 HD13 LEU A 494 0.114 10.459 9.053 1.00 22.40 H new ATOM 0 HD21 LEU A 494 2.027 9.606 6.774 1.00 23.33 H new ATOM 0 HD22 LEU A 494 0.316 9.118 6.816 1.00 23.33 H new ATOM 0 HD23 LEU A 494 0.962 9.977 5.397 1.00 23.33 H new ATOM 724 N PRO A 495 -3.774 12.128 8.365 1.00 12.52 N ATOM 725 CA PRO A 495 -5.089 12.830 8.509 1.00 34.33 C ATOM 726 C PRO A 495 -5.070 14.235 7.934 1.00 62.21 C ATOM 727 O PRO A 495 -5.751 15.130 8.434 1.00 25.20 O ATOM 728 CB PRO A 495 -5.196 12.936 10.026 1.00 24.25 C ATOM 729 CG PRO A 495 -3.792 13.087 10.449 1.00 70.22 C ATOM 730 CD PRO A 495 -3.076 12.055 9.671 1.00 44.14 C ATOM 0 HA PRO A 495 -5.898 12.311 7.996 1.00 34.33 H new ATOM 0 HB2 PRO A 495 -5.803 13.789 10.329 1.00 24.25 H new ATOM 0 HB3 PRO A 495 -5.655 12.048 10.461 1.00 24.25 H new ATOM 0 HG2 PRO A 495 -3.414 14.086 10.231 1.00 70.22 H new ATOM 0 HG3 PRO A 495 -3.678 12.930 11.522 1.00 70.22 H new ATOM 0 HD2 PRO A 495 -2.012 12.275 9.580 1.00 44.14 H new ATOM 0 HD3 PRO A 495 -3.159 11.068 10.126 1.00 44.14 H new ATOM 738 N ARG A 496 -4.331 14.414 6.878 1.00 72.22 N ATOM 739 CA ARG A 496 -4.158 15.716 6.284 1.00 61.30 C ATOM 740 C ARG A 496 -3.584 15.652 4.874 1.00 53.12 C ATOM 741 O ARG A 496 -3.465 16.662 4.189 1.00 42.44 O ATOM 742 CB ARG A 496 -3.305 16.549 7.173 1.00 60.14 C ATOM 743 CG ARG A 496 -2.015 15.863 7.594 1.00 1.25 C ATOM 744 CD ARG A 496 -1.214 16.731 8.534 1.00 60.34 C ATOM 745 NE ARG A 496 -2.000 17.096 9.714 1.00 0.21 N ATOM 746 CZ ARG A 496 -1.520 17.302 10.935 1.00 21.32 C ATOM 747 NH1 ARG A 496 -0.225 17.128 11.189 1.00 71.50 N ATOM 748 NH2 ARG A 496 -2.346 17.663 11.905 1.00 13.12 N ATOM 0 H ARG A 496 -3.830 13.664 6.401 1.00 72.22 H new ATOM 0 HA ARG A 496 -5.143 16.173 6.184 1.00 61.30 H new ATOM 0 HB2 ARG A 496 -3.062 17.480 6.661 1.00 60.14 H new ATOM 0 HB3 ARG A 496 -3.874 16.814 8.064 1.00 60.14 H new ATOM 0 HG2 ARG A 496 -2.246 14.915 8.079 1.00 1.25 H new ATOM 0 HG3 ARG A 496 -1.419 15.632 6.711 1.00 1.25 H new ATOM 0 HD2 ARG A 496 -0.313 16.202 8.843 1.00 60.34 H new ATOM 0 HD3 ARG A 496 -0.892 17.633 8.015 1.00 60.34 H new ATOM 0 HE ARG A 496 -3.007 17.202 9.587 1.00 0.21 H new ATOM 0 HH11 ARG A 496 0.406 16.835 10.443 1.00 71.50 H new ATOM 0 HH12 ARG A 496 0.136 17.288 12.129 1.00 71.50 H new ATOM 0 HH21 ARG A 496 -3.340 17.780 11.711 1.00 13.12 H new ATOM 0 HH22 ARG A 496 -1.988 17.824 12.846 1.00 13.12 H new ATOM 762 N GLY A 497 -3.245 14.473 4.438 1.00 74.43 N ATOM 763 CA GLY A 497 -2.724 14.342 3.093 1.00 73.41 C ATOM 764 C GLY A 497 -3.811 14.026 2.072 1.00 13.42 C ATOM 765 O GLY A 497 -4.982 14.255 2.319 1.00 75.02 O ATOM 0 H GLY A 497 -3.314 13.606 4.971 1.00 74.43 H new ATOM 0 HA2 GLY A 497 -2.223 15.267 2.810 1.00 73.41 H new ATOM 0 HA3 GLY A 497 -1.972 13.553 3.074 1.00 73.41 H new ATOM 769 N ALA A 498 -3.415 13.471 0.941 1.00 35.02 N ATOM 770 CA ALA A 498 -4.283 13.169 -0.148 1.00 70.34 C ATOM 771 C ALA A 498 -5.334 12.197 0.301 1.00 23.30 C ATOM 772 O ALA A 498 -6.503 12.312 -0.050 1.00 30.11 O ATOM 773 CB ALA A 498 -3.484 12.552 -1.286 1.00 62.01 C ATOM 0 H ALA A 498 -2.444 13.215 0.764 1.00 35.02 H new ATOM 0 HA ALA A 498 -4.757 14.088 -0.493 1.00 70.34 H new ATOM 0 HB1 ALA A 498 -4.151 12.323 -2.117 1.00 62.01 H new ATOM 0 HB2 ALA A 498 -2.720 13.256 -1.618 1.00 62.01 H new ATOM 0 HB3 ALA A 498 -3.007 11.635 -0.940 1.00 62.01 H new ATOM 779 N ALA A 499 -4.893 11.250 1.142 1.00 72.53 N ATOM 780 CA ALA A 499 -5.731 10.190 1.629 1.00 44.24 C ATOM 781 C ALA A 499 -6.965 10.697 2.351 1.00 23.40 C ATOM 782 O ALA A 499 -8.005 10.100 2.242 1.00 4.31 O ATOM 783 CB ALA A 499 -4.941 9.234 2.489 1.00 73.23 C ATOM 0 H ALA A 499 -3.936 11.214 1.494 1.00 72.53 H new ATOM 0 HA ALA A 499 -6.094 9.648 0.756 1.00 44.24 H new ATOM 0 HB1 ALA A 499 -5.596 8.440 2.847 1.00 73.23 H new ATOM 0 HB2 ALA A 499 -4.132 8.800 1.902 1.00 73.23 H new ATOM 0 HB3 ALA A 499 -4.524 9.771 3.341 1.00 73.23 H new ATOM 789 N ILE A 500 -6.838 11.771 3.108 1.00 32.42 N ATOM 790 CA ILE A 500 -7.997 12.369 3.772 1.00 15.43 C ATOM 791 C ILE A 500 -8.795 13.272 2.823 1.00 32.35 C ATOM 792 O ILE A 500 -10.021 13.328 2.891 1.00 35.33 O ATOM 793 CB ILE A 500 -7.612 13.122 5.046 1.00 2.04 C ATOM 794 CG1 ILE A 500 -8.838 13.564 5.828 1.00 20.01 C ATOM 795 CG2 ILE A 500 -6.750 14.316 4.728 1.00 34.11 C ATOM 796 CD1 ILE A 500 -8.490 14.324 7.077 1.00 21.42 C ATOM 0 H ILE A 500 -5.954 12.249 3.282 1.00 32.42 H new ATOM 0 HA ILE A 500 -8.642 11.541 4.067 1.00 15.43 H new ATOM 0 HB ILE A 500 -7.042 12.430 5.666 1.00 2.04 H new ATOM 0 HG12 ILE A 500 -9.464 14.189 5.191 1.00 20.01 H new ATOM 0 HG13 ILE A 500 -9.429 12.688 6.094 1.00 20.01 H new ATOM 0 HG21 ILE A 500 -6.490 14.834 5.651 1.00 34.11 H new ATOM 0 HG22 ILE A 500 -5.839 13.985 4.229 1.00 34.11 H new ATOM 0 HG23 ILE A 500 -7.296 14.995 4.073 1.00 34.11 H new ATOM 0 HD11 ILE A 500 -9.405 14.614 7.594 1.00 21.42 H new ATOM 0 HD12 ILE A 500 -7.888 13.693 7.731 1.00 21.42 H new ATOM 0 HD13 ILE A 500 -7.924 15.217 6.813 1.00 21.42 H new ATOM 808 N GLN A 501 -8.077 13.968 1.934 1.00 75.34 N ATOM 809 CA GLN A 501 -8.687 14.893 0.982 1.00 52.32 C ATOM 810 C GLN A 501 -9.686 14.167 0.119 1.00 53.13 C ATOM 811 O GLN A 501 -10.811 14.634 -0.076 1.00 11.40 O ATOM 812 CB GLN A 501 -7.621 15.549 0.108 1.00 73.01 C ATOM 813 CG GLN A 501 -6.672 16.488 0.837 1.00 41.24 C ATOM 814 CD GLN A 501 -7.370 17.711 1.389 1.00 21.12 C ATOM 815 OE1 GLN A 501 -7.482 18.726 0.712 1.00 65.20 O ATOM 816 NE2 GLN A 501 -7.832 17.636 2.605 1.00 60.50 N ATOM 0 H GLN A 501 -7.062 13.904 1.857 1.00 75.34 H new ATOM 0 HA GLN A 501 -9.202 15.673 1.543 1.00 52.32 H new ATOM 0 HB2 GLN A 501 -7.034 14.765 -0.371 1.00 73.01 H new ATOM 0 HB3 GLN A 501 -8.118 16.106 -0.687 1.00 73.01 H new ATOM 0 HG2 GLN A 501 -6.191 15.950 1.654 1.00 41.24 H new ATOM 0 HG3 GLN A 501 -5.883 16.802 0.154 1.00 41.24 H new ATOM 0 HE21 GLN A 501 -7.721 16.775 3.140 1.00 60.50 H new ATOM 0 HE22 GLN A 501 -8.304 18.438 3.021 1.00 60.50 H new ATOM 825 N ASP A 502 -9.292 13.023 -0.375 1.00 31.12 N ATOM 826 CA ASP A 502 -10.194 12.217 -1.164 1.00 32.51 C ATOM 827 C ASP A 502 -10.951 11.293 -0.265 1.00 25.34 C ATOM 828 O ASP A 502 -12.133 11.035 -0.482 1.00 74.35 O ATOM 829 CB ASP A 502 -9.478 11.409 -2.248 1.00 23.32 C ATOM 830 CG ASP A 502 -8.849 12.257 -3.338 1.00 35.54 C ATOM 831 OD1 ASP A 502 -9.572 12.664 -4.290 1.00 22.23 O ATOM 832 OD2 ASP A 502 -7.636 12.519 -3.277 1.00 10.54 O ATOM 0 H ASP A 502 -8.360 12.628 -0.248 1.00 31.12 H new ATOM 0 HA ASP A 502 -10.874 12.899 -1.674 1.00 32.51 H new ATOM 0 HB2 ASP A 502 -8.702 10.802 -1.781 1.00 23.32 H new ATOM 0 HB3 ASP A 502 -10.190 10.721 -2.703 1.00 23.32 H new ATOM 837 N GLY A 503 -10.269 10.804 0.780 1.00 71.43 N ATOM 838 CA GLY A 503 -10.882 9.896 1.721 1.00 62.15 C ATOM 839 C GLY A 503 -11.272 8.572 1.114 1.00 22.41 C ATOM 840 O GLY A 503 -12.164 7.882 1.616 1.00 72.53 O ATOM 0 H GLY A 503 -9.295 11.030 0.983 1.00 71.43 H new ATOM 0 HA2 GLY A 503 -10.191 9.719 2.545 1.00 62.15 H new ATOM 0 HA3 GLY A 503 -11.769 10.368 2.144 1.00 62.15 H new ATOM 844 N ARG A 504 -10.609 8.201 0.054 1.00 13.13 N ATOM 845 CA ARG A 504 -10.964 6.992 -0.642 1.00 4.22 C ATOM 846 C ARG A 504 -10.073 5.816 -0.180 1.00 54.24 C ATOM 847 O ARG A 504 -10.365 4.665 -0.456 1.00 71.11 O ATOM 848 CB ARG A 504 -10.829 7.224 -2.159 1.00 23.14 C ATOM 849 CG ARG A 504 -11.445 6.138 -3.031 1.00 55.54 C ATOM 850 CD ARG A 504 -12.960 6.120 -2.911 1.00 52.53 C ATOM 851 NE ARG A 504 -13.560 5.066 -3.729 1.00 72.41 N ATOM 852 CZ ARG A 504 -14.701 5.185 -4.424 1.00 4.43 C ATOM 853 NH1 ARG A 504 -15.340 6.354 -4.483 1.00 42.32 N ATOM 854 NH2 ARG A 504 -15.191 4.140 -5.076 1.00 5.11 N ATOM 0 H ARG A 504 -9.824 8.714 -0.347 1.00 13.13 H new ATOM 0 HA ARG A 504 -11.997 6.731 -0.412 1.00 4.22 H new ATOM 0 HB2 ARG A 504 -11.294 8.178 -2.409 1.00 23.14 H new ATOM 0 HB3 ARG A 504 -9.771 7.311 -2.406 1.00 23.14 H new ATOM 0 HG2 ARG A 504 -11.163 6.302 -4.071 1.00 55.54 H new ATOM 0 HG3 ARG A 504 -11.044 5.167 -2.741 1.00 55.54 H new ATOM 0 HD2 ARG A 504 -13.240 5.973 -1.868 1.00 52.53 H new ATOM 0 HD3 ARG A 504 -13.360 7.087 -3.215 1.00 52.53 H new ATOM 0 HE ARG A 504 -13.073 4.171 -3.774 1.00 72.41 H new ATOM 0 HH11 ARG A 504 -14.962 7.167 -3.997 1.00 42.32 H new ATOM 0 HH12 ARG A 504 -16.207 6.435 -5.014 1.00 42.32 H new ATOM 0 HH21 ARG A 504 -14.700 3.246 -5.049 1.00 5.11 H new ATOM 0 HH22 ARG A 504 -16.059 4.230 -5.605 1.00 5.11 H new ATOM 868 N LEU A 505 -9.015 6.124 0.551 1.00 73.21 N ATOM 869 CA LEU A 505 -8.058 5.102 0.993 1.00 22.43 C ATOM 870 C LEU A 505 -7.979 5.061 2.524 1.00 14.03 C ATOM 871 O LEU A 505 -8.255 6.066 3.188 1.00 74.30 O ATOM 872 CB LEU A 505 -6.667 5.393 0.397 1.00 15.20 C ATOM 873 CG LEU A 505 -5.565 4.360 0.676 1.00 4.21 C ATOM 874 CD1 LEU A 505 -5.940 2.997 0.120 1.00 22.35 C ATOM 875 CD2 LEU A 505 -4.247 4.824 0.093 1.00 4.21 C ATOM 0 H LEU A 505 -8.790 7.071 0.855 1.00 73.21 H new ATOM 0 HA LEU A 505 -8.401 4.129 0.641 1.00 22.43 H new ATOM 0 HB2 LEU A 505 -6.774 5.492 -0.683 1.00 15.20 H new ATOM 0 HB3 LEU A 505 -6.331 6.359 0.774 1.00 15.20 H new ATOM 0 HG LEU A 505 -5.456 4.265 1.756 1.00 4.21 H new ATOM 0 HD11 LEU A 505 -5.142 2.285 0.332 1.00 22.35 H new ATOM 0 HD12 LEU A 505 -6.864 2.655 0.587 1.00 22.35 H new ATOM 0 HD13 LEU A 505 -6.084 3.071 -0.958 1.00 22.35 H new ATOM 0 HD21 LEU A 505 -3.476 4.081 0.299 1.00 4.21 H new ATOM 0 HD22 LEU A 505 -4.350 4.950 -0.985 1.00 4.21 H new ATOM 0 HD23 LEU A 505 -3.964 5.775 0.544 1.00 4.21 H new ATOM 887 N LYS A 506 -7.603 3.906 3.066 1.00 40.34 N ATOM 888 CA LYS A 506 -7.468 3.704 4.498 1.00 62.12 C ATOM 889 C LYS A 506 -6.305 2.756 4.826 1.00 11.40 C ATOM 890 O LYS A 506 -5.865 2.004 3.963 1.00 1.35 O ATOM 891 CB LYS A 506 -8.816 3.291 5.142 1.00 42.34 C ATOM 892 CG LYS A 506 -9.618 2.162 4.434 1.00 72.42 C ATOM 893 CD LYS A 506 -8.972 0.778 4.505 1.00 2.32 C ATOM 894 CE LYS A 506 -8.905 0.241 5.934 1.00 13.22 C ATOM 895 NZ LYS A 506 -10.244 0.102 6.563 1.00 51.25 N ATOM 0 H LYS A 506 -7.382 3.077 2.514 1.00 40.34 H new ATOM 0 HA LYS A 506 -7.205 4.658 4.955 1.00 62.12 H new ATOM 0 HB2 LYS A 506 -8.620 2.976 6.167 1.00 42.34 H new ATOM 0 HB3 LYS A 506 -9.451 4.175 5.196 1.00 42.34 H new ATOM 0 HG2 LYS A 506 -10.612 2.107 4.879 1.00 72.42 H new ATOM 0 HG3 LYS A 506 -9.752 2.432 3.387 1.00 72.42 H new ATOM 0 HD2 LYS A 506 -9.538 0.083 3.884 1.00 2.32 H new ATOM 0 HD3 LYS A 506 -7.965 0.828 4.091 1.00 2.32 H new ATOM 0 HE2 LYS A 506 -8.409 -0.730 5.929 1.00 13.22 H new ATOM 0 HE3 LYS A 506 -8.292 0.909 6.539 1.00 13.22 H new ATOM 0 HZ1 LYS A 506 -10.160 -0.449 7.441 1.00 51.25 H new ATOM 0 HZ2 LYS A 506 -10.625 1.045 6.781 1.00 51.25 H new ATOM 0 HZ3 LYS A 506 -10.886 -0.387 5.908 1.00 51.25 H new ATOM 909 N ALA A 507 -5.801 2.817 6.058 1.00 21.03 N ATOM 910 CA ALA A 507 -4.647 2.021 6.462 1.00 63.04 C ATOM 911 C ALA A 507 -5.063 0.626 6.866 1.00 0.25 C ATOM 912 O ALA A 507 -6.195 0.402 7.264 1.00 75.53 O ATOM 913 CB ALA A 507 -3.862 2.710 7.586 1.00 42.13 C ATOM 0 H ALA A 507 -6.177 3.413 6.795 1.00 21.03 H new ATOM 0 HA ALA A 507 -3.986 1.936 5.600 1.00 63.04 H new ATOM 0 HB1 ALA A 507 -3.008 2.092 7.865 1.00 42.13 H new ATOM 0 HB2 ALA A 507 -3.509 3.682 7.241 1.00 42.13 H new ATOM 0 HB3 ALA A 507 -4.510 2.846 8.452 1.00 42.13 H new ATOM 919 N GLY A 508 -4.140 -0.301 6.767 1.00 54.00 N ATOM 920 CA GLY A 508 -4.440 -1.687 7.067 1.00 51.43 C ATOM 921 C GLY A 508 -4.960 -2.397 5.843 1.00 3.24 C ATOM 922 O GLY A 508 -5.574 -3.458 5.933 1.00 63.43 O ATOM 0 H GLY A 508 -3.177 -0.125 6.482 1.00 54.00 H new ATOM 0 HA2 GLY A 508 -3.543 -2.188 7.430 1.00 51.43 H new ATOM 0 HA3 GLY A 508 -5.180 -1.739 7.866 1.00 51.43 H new ATOM 926 N ASP A 509 -4.705 -1.800 4.707 1.00 72.22 N ATOM 927 CA ASP A 509 -5.162 -2.302 3.423 1.00 34.33 C ATOM 928 C ASP A 509 -3.927 -2.833 2.684 1.00 63.55 C ATOM 929 O ASP A 509 -2.792 -2.523 3.089 1.00 41.13 O ATOM 930 CB ASP A 509 -5.755 -1.117 2.643 1.00 72.00 C ATOM 931 CG ASP A 509 -6.662 -1.503 1.500 1.00 51.21 C ATOM 932 OD1 ASP A 509 -6.357 -2.459 0.774 1.00 35.11 O ATOM 933 OD2 ASP A 509 -7.732 -0.860 1.365 1.00 10.15 O ATOM 0 H ASP A 509 -4.166 -0.937 4.640 1.00 72.22 H new ATOM 0 HA ASP A 509 -5.910 -3.087 3.530 1.00 34.33 H new ATOM 0 HB2 ASP A 509 -6.314 -0.487 3.335 1.00 72.00 H new ATOM 0 HB3 ASP A 509 -4.937 -0.512 2.251 1.00 72.00 H new ATOM 938 N ARG A 510 -4.106 -3.598 1.627 1.00 30.41 N ATOM 939 CA ARG A 510 -2.966 -4.100 0.891 1.00 5.33 C ATOM 940 C ARG A 510 -2.819 -3.413 -0.429 1.00 45.42 C ATOM 941 O ARG A 510 -3.712 -3.448 -1.259 1.00 74.24 O ATOM 942 CB ARG A 510 -2.921 -5.640 0.729 1.00 73.32 C ATOM 943 CG ARG A 510 -1.708 -6.076 -0.111 1.00 71.51 C ATOM 944 CD ARG A 510 -1.333 -7.543 0.013 1.00 74.23 C ATOM 945 NE ARG A 510 -2.313 -8.497 -0.500 1.00 72.11 N ATOM 946 CZ ARG A 510 -2.375 -9.789 -0.093 1.00 30.04 C ATOM 947 NH1 ARG A 510 -1.722 -10.185 1.008 1.00 74.41 N ATOM 948 NH2 ARG A 510 -3.113 -10.664 -0.762 1.00 4.24 N ATOM 0 H ARG A 510 -5.015 -3.882 1.263 1.00 30.41 H new ATOM 0 HA ARG A 510 -2.106 -3.856 1.514 1.00 5.33 H new ATOM 0 HB2 ARG A 510 -2.874 -6.110 1.711 1.00 73.32 H new ATOM 0 HB3 ARG A 510 -3.839 -5.985 0.253 1.00 73.32 H new ATOM 0 HG2 ARG A 510 -1.913 -5.857 -1.159 1.00 71.51 H new ATOM 0 HG3 ARG A 510 -0.849 -5.471 0.179 1.00 71.51 H new ATOM 0 HD2 ARG A 510 -0.390 -7.703 -0.511 1.00 74.23 H new ATOM 0 HD3 ARG A 510 -1.155 -7.765 1.065 1.00 74.23 H new ATOM 0 HE ARG A 510 -2.983 -8.176 -1.198 1.00 72.11 H new ATOM 0 HH11 ARG A 510 -1.174 -9.513 1.545 1.00 74.41 H new ATOM 0 HH12 ARG A 510 -1.773 -11.158 1.309 1.00 74.41 H new ATOM 0 HH21 ARG A 510 -3.636 -10.366 -1.585 1.00 4.24 H new ATOM 0 HH22 ARG A 510 -3.158 -11.635 -0.453 1.00 4.24 H new ATOM 962 N LEU A 511 -1.678 -2.812 -0.628 1.00 52.15 N ATOM 963 CA LEU A 511 -1.417 -2.106 -1.835 1.00 50.53 C ATOM 964 C LEU A 511 -0.881 -3.121 -2.850 1.00 41.30 C ATOM 965 O LEU A 511 0.125 -3.790 -2.597 1.00 75.53 O ATOM 966 CB LEU A 511 -0.379 -1.001 -1.585 1.00 0.41 C ATOM 967 CG LEU A 511 -0.644 0.351 -2.284 1.00 70.34 C ATOM 968 CD1 LEU A 511 -0.885 0.193 -3.779 1.00 52.30 C ATOM 969 CD2 LEU A 511 -1.810 1.058 -1.626 1.00 33.14 C ATOM 0 H LEU A 511 -0.911 -2.802 0.044 1.00 52.15 H new ATOM 0 HA LEU A 511 -2.324 -1.632 -2.211 1.00 50.53 H new ATOM 0 HB2 LEU A 511 -0.317 -0.826 -0.511 1.00 0.41 H new ATOM 0 HB3 LEU A 511 0.596 -1.368 -1.905 1.00 0.41 H new ATOM 0 HG LEU A 511 0.254 0.958 -2.171 1.00 70.34 H new ATOM 0 HD11 LEU A 511 -1.066 1.171 -4.224 1.00 52.30 H new ATOM 0 HD12 LEU A 511 -0.009 -0.260 -4.243 1.00 52.30 H new ATOM 0 HD13 LEU A 511 -1.753 -0.446 -3.942 1.00 52.30 H new ATOM 0 HD21 LEU A 511 -1.988 2.010 -2.127 1.00 33.14 H new ATOM 0 HD22 LEU A 511 -2.702 0.436 -1.701 1.00 33.14 H new ATOM 0 HD23 LEU A 511 -1.581 1.238 -0.576 1.00 33.14 H new ATOM 981 N ILE A 512 -1.561 -3.264 -3.955 1.00 51.35 N ATOM 982 CA ILE A 512 -1.168 -4.229 -4.971 1.00 53.02 C ATOM 983 C ILE A 512 -0.381 -3.570 -6.094 1.00 3.50 C ATOM 984 O ILE A 512 0.631 -4.106 -6.549 1.00 72.32 O ATOM 985 CB ILE A 512 -2.400 -4.968 -5.551 1.00 23.11 C ATOM 986 CG1 ILE A 512 -3.151 -5.741 -4.457 1.00 74.41 C ATOM 987 CG2 ILE A 512 -2.017 -5.900 -6.704 1.00 21.51 C ATOM 988 CD1 ILE A 512 -2.327 -6.816 -3.773 1.00 4.00 C ATOM 0 H ILE A 512 -2.396 -2.726 -4.185 1.00 51.35 H new ATOM 0 HA ILE A 512 -0.522 -4.959 -4.483 1.00 53.02 H new ATOM 0 HB ILE A 512 -3.068 -4.206 -5.952 1.00 23.11 H new ATOM 0 HG12 ILE A 512 -3.501 -5.034 -3.705 1.00 74.41 H new ATOM 0 HG13 ILE A 512 -4.035 -6.202 -4.897 1.00 74.41 H new ATOM 0 HG21 ILE A 512 -2.910 -6.398 -7.081 1.00 21.51 H new ATOM 0 HG22 ILE A 512 -1.560 -5.319 -7.505 1.00 21.51 H new ATOM 0 HG23 ILE A 512 -1.308 -6.647 -6.348 1.00 21.51 H new ATOM 0 HD11 ILE A 512 -2.933 -7.312 -3.015 1.00 4.00 H new ATOM 0 HD12 ILE A 512 -1.999 -7.548 -4.511 1.00 4.00 H new ATOM 0 HD13 ILE A 512 -1.456 -6.361 -3.301 1.00 4.00 H new ATOM 1000 N GLU A 513 -0.840 -2.429 -6.541 1.00 52.11 N ATOM 1001 CA GLU A 513 -0.179 -1.713 -7.611 1.00 62.13 C ATOM 1002 C GLU A 513 -0.541 -0.246 -7.547 1.00 72.04 C ATOM 1003 O GLU A 513 -1.648 0.113 -7.118 1.00 14.32 O ATOM 1004 CB GLU A 513 -0.574 -2.290 -8.987 1.00 4.11 C ATOM 1005 CG GLU A 513 -2.052 -2.241 -9.255 1.00 61.50 C ATOM 1006 CD GLU A 513 -2.424 -2.597 -10.656 1.00 24.04 C ATOM 1007 OE1 GLU A 513 -2.538 -3.795 -10.970 1.00 14.13 O ATOM 1008 OE2 GLU A 513 -2.642 -1.671 -11.468 1.00 22.43 O ATOM 0 H GLU A 513 -1.676 -1.970 -6.179 1.00 52.11 H new ATOM 0 HA GLU A 513 0.898 -1.828 -7.487 1.00 62.13 H new ATOM 0 HB2 GLU A 513 -0.053 -1.736 -9.768 1.00 4.11 H new ATOM 0 HB3 GLU A 513 -0.235 -3.324 -9.049 1.00 4.11 H new ATOM 0 HG2 GLU A 513 -2.558 -2.922 -8.571 1.00 61.50 H new ATOM 0 HG3 GLU A 513 -2.418 -1.238 -9.036 1.00 61.50 H new ATOM 1015 N VAL A 514 0.373 0.595 -7.948 1.00 75.42 N ATOM 1016 CA VAL A 514 0.141 1.995 -7.991 1.00 72.43 C ATOM 1017 C VAL A 514 0.535 2.541 -9.358 1.00 4.13 C ATOM 1018 O VAL A 514 1.618 2.247 -9.870 1.00 22.11 O ATOM 1019 CB VAL A 514 0.868 2.747 -6.835 1.00 32.31 C ATOM 1020 CG1 VAL A 514 2.324 2.436 -6.832 1.00 41.13 C ATOM 1021 CG2 VAL A 514 0.681 4.238 -6.953 1.00 72.34 C ATOM 0 H VAL A 514 1.305 0.316 -8.255 1.00 75.42 H new ATOM 0 HA VAL A 514 -0.924 2.169 -7.841 1.00 72.43 H new ATOM 0 HB VAL A 514 0.425 2.406 -5.899 1.00 32.31 H new ATOM 0 HG11 VAL A 514 2.809 2.973 -6.017 1.00 41.13 H new ATOM 0 HG12 VAL A 514 2.467 1.364 -6.697 1.00 41.13 H new ATOM 0 HG13 VAL A 514 2.764 2.744 -7.781 1.00 41.13 H new ATOM 0 HG21 VAL A 514 1.199 4.736 -6.133 1.00 72.34 H new ATOM 0 HG22 VAL A 514 1.090 4.582 -7.903 1.00 72.34 H new ATOM 0 HG23 VAL A 514 -0.382 4.476 -6.908 1.00 72.34 H new ATOM 1031 N ASN A 515 -0.388 3.273 -9.960 1.00 3.53 N ATOM 1032 CA ASN A 515 -0.214 3.900 -11.287 1.00 52.12 C ATOM 1033 C ASN A 515 0.092 2.882 -12.389 1.00 4.02 C ATOM 1034 O ASN A 515 0.594 3.237 -13.456 1.00 23.42 O ATOM 1035 CB ASN A 515 0.849 5.017 -11.242 1.00 74.22 C ATOM 1036 CG ASN A 515 0.406 6.193 -10.383 1.00 73.50 C ATOM 1037 OD1 ASN A 515 -0.787 6.486 -10.276 1.00 24.45 O ATOM 1038 ND2 ASN A 515 1.344 6.870 -9.768 1.00 62.31 N ATOM 0 H ASN A 515 -1.300 3.459 -9.544 1.00 3.53 H new ATOM 0 HA ASN A 515 -1.171 4.353 -11.544 1.00 52.12 H new ATOM 0 HB2 ASN A 515 1.782 4.613 -10.850 1.00 74.22 H new ATOM 0 HB3 ASN A 515 1.053 5.365 -12.255 1.00 74.22 H new ATOM 0 HD21 ASN A 515 1.096 7.666 -9.180 1.00 62.31 H new ATOM 0 HD22 ASN A 515 2.322 6.601 -9.878 1.00 62.31 H new ATOM 1045 N GLY A 516 -0.260 1.637 -12.141 1.00 23.34 N ATOM 1046 CA GLY A 516 -0.043 0.594 -13.109 1.00 70.45 C ATOM 1047 C GLY A 516 1.207 -0.219 -12.842 1.00 1.43 C ATOM 1048 O GLY A 516 1.460 -1.203 -13.521 1.00 63.44 O ATOM 0 H GLY A 516 -0.698 1.327 -11.274 1.00 23.34 H new ATOM 0 HA2 GLY A 516 -0.906 -0.071 -13.116 1.00 70.45 H new ATOM 0 HA3 GLY A 516 0.026 1.038 -14.102 1.00 70.45 H new ATOM 1052 N VAL A 517 1.990 0.185 -11.864 1.00 62.22 N ATOM 1053 CA VAL A 517 3.209 -0.531 -11.550 1.00 5.11 C ATOM 1054 C VAL A 517 2.942 -1.528 -10.433 1.00 23.22 C ATOM 1055 O VAL A 517 2.338 -1.179 -9.413 1.00 23.23 O ATOM 1056 CB VAL A 517 4.366 0.428 -11.161 1.00 54.34 C ATOM 1057 CG1 VAL A 517 5.646 -0.347 -10.864 1.00 54.33 C ATOM 1058 CG2 VAL A 517 4.610 1.434 -12.276 1.00 63.15 C ATOM 0 H VAL A 517 1.807 0.999 -11.277 1.00 62.22 H new ATOM 0 HA VAL A 517 3.526 -1.064 -12.446 1.00 5.11 H new ATOM 0 HB VAL A 517 4.074 0.961 -10.256 1.00 54.34 H new ATOM 0 HG11 VAL A 517 6.439 0.350 -10.594 1.00 54.33 H new ATOM 0 HG12 VAL A 517 5.471 -1.035 -10.037 1.00 54.33 H new ATOM 0 HG13 VAL A 517 5.943 -0.911 -11.748 1.00 54.33 H new ATOM 0 HG21 VAL A 517 5.424 2.102 -11.992 1.00 63.15 H new ATOM 0 HG22 VAL A 517 4.877 0.905 -13.191 1.00 63.15 H new ATOM 0 HG23 VAL A 517 3.705 2.017 -12.445 1.00 63.15 H new ATOM 1068 N ASP A 518 3.402 -2.749 -10.634 1.00 73.14 N ATOM 1069 CA ASP A 518 3.150 -3.861 -9.720 1.00 22.44 C ATOM 1070 C ASP A 518 4.045 -3.739 -8.519 1.00 51.00 C ATOM 1071 O ASP A 518 5.186 -3.291 -8.637 1.00 50.11 O ATOM 1072 CB ASP A 518 3.413 -5.211 -10.417 1.00 24.24 C ATOM 1073 CG ASP A 518 2.576 -5.430 -11.659 1.00 44.41 C ATOM 1074 OD1 ASP A 518 1.437 -5.943 -11.557 1.00 41.54 O ATOM 1075 OD2 ASP A 518 3.050 -5.092 -12.771 1.00 5.41 O ATOM 0 H ASP A 518 3.968 -3.005 -11.443 1.00 73.14 H new ATOM 0 HA ASP A 518 2.106 -3.824 -9.410 1.00 22.44 H new ATOM 0 HB2 ASP A 518 4.468 -5.271 -10.686 1.00 24.24 H new ATOM 0 HB3 ASP A 518 3.217 -6.018 -9.711 1.00 24.24 H new ATOM 1080 N LEU A 519 3.542 -4.118 -7.370 1.00 24.23 N ATOM 1081 CA LEU A 519 4.319 -4.009 -6.158 1.00 54.44 C ATOM 1082 C LEU A 519 4.887 -5.327 -5.765 1.00 15.11 C ATOM 1083 O LEU A 519 6.082 -5.441 -5.531 1.00 22.42 O ATOM 1084 CB LEU A 519 3.499 -3.501 -4.999 1.00 61.21 C ATOM 1085 CG LEU A 519 2.742 -2.221 -5.204 1.00 54.32 C ATOM 1086 CD1 LEU A 519 2.210 -1.747 -3.894 1.00 51.24 C ATOM 1087 CD2 LEU A 519 3.578 -1.172 -5.883 1.00 3.35 C ATOM 0 H LEU A 519 2.605 -4.502 -7.247 1.00 24.23 H new ATOM 0 HA LEU A 519 5.116 -3.299 -6.378 1.00 54.44 H new ATOM 0 HB2 LEU A 519 2.784 -4.277 -4.725 1.00 61.21 H new ATOM 0 HB3 LEU A 519 4.165 -3.367 -4.147 1.00 61.21 H new ATOM 0 HG LEU A 519 1.905 -2.415 -5.874 1.00 54.32 H new ATOM 0 HD11 LEU A 519 1.660 -0.817 -4.040 1.00 51.24 H new ATOM 0 HD12 LEU A 519 1.543 -2.502 -3.477 1.00 51.24 H new ATOM 0 HD13 LEU A 519 3.038 -1.575 -3.206 1.00 51.24 H new ATOM 0 HD21 LEU A 519 2.989 -0.264 -6.010 1.00 3.35 H new ATOM 0 HD22 LEU A 519 4.454 -0.954 -5.273 1.00 3.35 H new ATOM 0 HD23 LEU A 519 3.898 -1.537 -6.859 1.00 3.35 H new ATOM 1099 N VAL A 520 4.031 -6.332 -5.676 1.00 31.14 N ATOM 1100 CA VAL A 520 4.446 -7.607 -5.256 1.00 21.52 C ATOM 1101 C VAL A 520 5.330 -8.264 -6.302 1.00 31.32 C ATOM 1102 O VAL A 520 4.871 -8.815 -7.315 1.00 22.54 O ATOM 1103 CB VAL A 520 3.264 -8.482 -4.778 1.00 14.34 C ATOM 1104 CG1 VAL A 520 2.648 -7.853 -3.542 1.00 32.45 C ATOM 1105 CG2 VAL A 520 2.194 -8.640 -5.840 1.00 3.40 C ATOM 0 H VAL A 520 3.038 -6.260 -5.898 1.00 31.14 H new ATOM 0 HA VAL A 520 5.070 -7.488 -4.370 1.00 21.52 H new ATOM 0 HB VAL A 520 3.657 -9.474 -4.557 1.00 14.34 H new ATOM 0 HG11 VAL A 520 1.814 -8.465 -3.200 1.00 32.45 H new ATOM 0 HG12 VAL A 520 3.398 -7.789 -2.754 1.00 32.45 H new ATOM 0 HG13 VAL A 520 2.289 -6.853 -3.783 1.00 32.45 H new ATOM 0 HG21 VAL A 520 1.387 -9.263 -5.454 1.00 3.40 H new ATOM 0 HG22 VAL A 520 1.799 -7.660 -6.108 1.00 3.40 H new ATOM 0 HG23 VAL A 520 2.625 -9.111 -6.723 1.00 3.40 H new ATOM 1115 N GLY A 521 6.600 -8.137 -6.060 1.00 12.23 N ATOM 1116 CA GLY A 521 7.608 -8.560 -6.964 1.00 34.33 C ATOM 1117 C GLY A 521 8.811 -7.669 -6.808 1.00 30.55 C ATOM 1118 O GLY A 521 9.955 -8.107 -6.969 1.00 73.53 O ATOM 0 H GLY A 521 6.966 -7.724 -5.202 1.00 12.23 H new ATOM 0 HA2 GLY A 521 7.879 -9.597 -6.767 1.00 34.33 H new ATOM 0 HA3 GLY A 521 7.238 -8.517 -7.988 1.00 34.33 H new ATOM 1122 N LYS A 522 8.545 -6.411 -6.464 1.00 2.24 N ATOM 1123 CA LYS A 522 9.583 -5.436 -6.230 1.00 54.14 C ATOM 1124 C LYS A 522 9.688 -5.105 -4.750 1.00 33.51 C ATOM 1125 O LYS A 522 8.881 -5.565 -3.947 1.00 54.14 O ATOM 1126 CB LYS A 522 9.381 -4.155 -7.045 1.00 54.52 C ATOM 1127 CG LYS A 522 8.072 -3.402 -6.819 1.00 3.23 C ATOM 1128 CD LYS A 522 8.099 -1.972 -7.409 1.00 10.22 C ATOM 1129 CE LYS A 522 8.215 -1.901 -8.946 1.00 75.44 C ATOM 1130 NZ LYS A 522 9.469 -2.490 -9.495 1.00 11.43 N ATOM 0 H LYS A 522 7.600 -6.048 -6.342 1.00 2.24 H new ATOM 0 HA LYS A 522 10.517 -5.888 -6.564 1.00 54.14 H new ATOM 0 HB2 LYS A 522 10.206 -3.478 -6.826 1.00 54.52 H new ATOM 0 HB3 LYS A 522 9.450 -4.409 -8.103 1.00 54.52 H new ATOM 0 HG2 LYS A 522 7.253 -3.962 -7.270 1.00 3.23 H new ATOM 0 HG3 LYS A 522 7.869 -3.346 -5.749 1.00 3.23 H new ATOM 0 HD2 LYS A 522 7.190 -1.453 -7.104 1.00 10.22 H new ATOM 0 HD3 LYS A 522 8.938 -1.431 -6.971 1.00 10.22 H new ATOM 0 HE2 LYS A 522 7.362 -2.417 -9.387 1.00 75.44 H new ATOM 0 HE3 LYS A 522 8.152 -0.858 -9.255 1.00 75.44 H new ATOM 0 HZ1 LYS A 522 9.766 -1.953 -10.335 1.00 11.43 H new ATOM 0 HZ2 LYS A 522 10.217 -2.447 -8.774 1.00 11.43 H new ATOM 0 HZ3 LYS A 522 9.300 -3.481 -9.760 1.00 11.43 H new ATOM 1144 N SER A 523 10.669 -4.314 -4.396 1.00 45.33 N ATOM 1145 CA SER A 523 10.916 -3.976 -3.009 1.00 4.34 C ATOM 1146 C SER A 523 10.170 -2.701 -2.581 1.00 40.40 C ATOM 1147 O SER A 523 9.802 -1.874 -3.423 1.00 21.13 O ATOM 1148 CB SER A 523 12.408 -3.828 -2.798 1.00 71.21 C ATOM 1149 OG SER A 523 13.082 -5.045 -3.107 1.00 75.55 O ATOM 0 H SER A 523 11.319 -3.885 -5.055 1.00 45.33 H new ATOM 0 HA SER A 523 10.533 -4.781 -2.382 1.00 4.34 H new ATOM 0 HB2 SER A 523 12.791 -3.024 -3.426 1.00 71.21 H new ATOM 0 HB3 SER A 523 12.608 -3.548 -1.764 1.00 71.21 H new ATOM 0 HG SER A 523 14.045 -4.930 -2.967 1.00 75.55 H new ATOM 1155 N GLN A 524 9.974 -2.542 -1.261 1.00 3.42 N ATOM 1156 CA GLN A 524 9.234 -1.408 -0.690 1.00 0.10 C ATOM 1157 C GLN A 524 9.836 -0.079 -1.103 1.00 25.54 C ATOM 1158 O GLN A 524 9.121 0.835 -1.498 1.00 72.13 O ATOM 1159 CB GLN A 524 9.230 -1.478 0.830 1.00 21.42 C ATOM 1160 CG GLN A 524 8.449 -0.347 1.478 1.00 52.41 C ATOM 1161 CD GLN A 524 8.549 -0.343 2.973 1.00 63.21 C ATOM 1162 OE1 GLN A 524 7.664 -1.025 3.613 1.00 30.52 O flip ATOM 1163 NE2 GLN A 524 9.435 0.284 3.545 1.00 3.42 N flip ATOM 0 H GLN A 524 10.325 -3.197 -0.562 1.00 3.42 H new ATOM 0 HA GLN A 524 8.216 -1.475 -1.073 1.00 0.10 H new ATOM 0 HB2 GLN A 524 8.804 -2.431 1.142 1.00 21.42 H new ATOM 0 HB3 GLN A 524 10.258 -1.455 1.191 1.00 21.42 H new ATOM 0 HG2 GLN A 524 8.814 0.605 1.093 1.00 52.41 H new ATOM 0 HG3 GLN A 524 7.401 -0.426 1.190 1.00 52.41 H new ATOM 0 HE21 GLN A 524 10.118 0.812 3.002 1.00 3.42 H new ATOM 0 HE22 GLN A 524 9.489 0.277 4.564 1.00 3.42 H new ATOM 1172 N GLU A 525 11.142 0.018 -0.999 1.00 53.34 N ATOM 1173 CA GLU A 525 11.864 1.242 -1.341 1.00 61.31 C ATOM 1174 C GLU A 525 11.631 1.653 -2.797 1.00 52.44 C ATOM 1175 O GLU A 525 11.602 2.844 -3.124 1.00 52.04 O ATOM 1176 CB GLU A 525 13.329 1.091 -1.019 1.00 12.30 C ATOM 1177 CG GLU A 525 13.575 0.861 0.457 1.00 64.24 C ATOM 1178 CD GLU A 525 15.007 0.582 0.769 1.00 4.14 C ATOM 1179 OE1 GLU A 525 15.432 -0.571 0.622 1.00 42.32 O ATOM 1180 OE2 GLU A 525 15.734 1.496 1.188 1.00 73.01 O ATOM 0 H GLU A 525 11.741 -0.742 -0.677 1.00 53.34 H new ATOM 0 HA GLU A 525 11.469 2.054 -0.730 1.00 61.31 H new ATOM 0 HB2 GLU A 525 13.739 0.256 -1.587 1.00 12.30 H new ATOM 0 HB3 GLU A 525 13.863 1.986 -1.338 1.00 12.30 H new ATOM 0 HG2 GLU A 525 13.251 1.739 1.016 1.00 64.24 H new ATOM 0 HG3 GLU A 525 12.964 0.024 0.796 1.00 64.24 H new ATOM 1187 N GLU A 526 11.441 0.676 -3.662 1.00 13.44 N ATOM 1188 CA GLU A 526 11.103 0.954 -5.042 1.00 73.25 C ATOM 1189 C GLU A 526 9.730 1.600 -5.113 1.00 52.20 C ATOM 1190 O GLU A 526 9.520 2.564 -5.852 1.00 62.12 O ATOM 1191 CB GLU A 526 11.066 -0.317 -5.859 1.00 31.11 C ATOM 1192 CG GLU A 526 12.388 -1.019 -6.041 1.00 71.10 C ATOM 1193 CD GLU A 526 12.230 -2.237 -6.909 1.00 61.12 C ATOM 1194 OE1 GLU A 526 11.908 -2.080 -8.122 1.00 62.15 O ATOM 1195 OE2 GLU A 526 12.366 -3.358 -6.401 1.00 14.32 O ATOM 0 H GLU A 526 11.515 -0.315 -3.433 1.00 13.44 H new ATOM 0 HA GLU A 526 11.866 1.621 -5.444 1.00 73.25 H new ATOM 0 HB2 GLU A 526 10.370 -1.010 -5.386 1.00 31.11 H new ATOM 0 HB3 GLU A 526 10.662 -0.082 -6.844 1.00 31.11 H new ATOM 0 HG2 GLU A 526 13.108 -0.336 -6.492 1.00 71.10 H new ATOM 0 HG3 GLU A 526 12.788 -1.309 -5.069 1.00 71.10 H new ATOM 1202 N VAL A 527 8.819 1.078 -4.317 1.00 4.34 N ATOM 1203 CA VAL A 527 7.445 1.537 -4.301 1.00 1.01 C ATOM 1204 C VAL A 527 7.347 2.922 -3.682 1.00 44.12 C ATOM 1205 O VAL A 527 6.581 3.757 -4.146 1.00 61.13 O ATOM 1206 CB VAL A 527 6.512 0.565 -3.535 1.00 20.34 C ATOM 1207 CG1 VAL A 527 5.055 1.008 -3.650 1.00 2.11 C ATOM 1208 CG2 VAL A 527 6.692 -0.863 -4.022 1.00 4.52 C ATOM 0 H VAL A 527 9.011 0.321 -3.661 1.00 4.34 H new ATOM 0 HA VAL A 527 7.116 1.575 -5.339 1.00 1.01 H new ATOM 0 HB VAL A 527 6.789 0.592 -2.481 1.00 20.34 H new ATOM 0 HG11 VAL A 527 4.419 0.311 -3.105 1.00 2.11 H new ATOM 0 HG12 VAL A 527 4.944 2.007 -3.228 1.00 2.11 H new ATOM 0 HG13 VAL A 527 4.761 1.023 -4.699 1.00 2.11 H new ATOM 0 HG21 VAL A 527 6.025 -1.523 -3.467 1.00 4.52 H new ATOM 0 HG22 VAL A 527 6.455 -0.918 -5.085 1.00 4.52 H new ATOM 0 HG23 VAL A 527 7.725 -1.174 -3.864 1.00 4.52 H new ATOM 1218 N VAL A 528 8.136 3.179 -2.644 1.00 24.20 N ATOM 1219 CA VAL A 528 8.085 4.492 -2.013 1.00 24.32 C ATOM 1220 C VAL A 528 8.569 5.555 -2.980 1.00 30.00 C ATOM 1221 O VAL A 528 7.958 6.588 -3.112 1.00 52.32 O ATOM 1222 CB VAL A 528 8.835 4.604 -0.641 1.00 64.45 C ATOM 1223 CG1 VAL A 528 8.331 3.581 0.364 1.00 1.13 C ATOM 1224 CG2 VAL A 528 10.339 4.520 -0.782 1.00 51.30 C ATOM 0 H VAL A 528 8.797 2.520 -2.233 1.00 24.20 H new ATOM 0 HA VAL A 528 7.036 4.654 -1.767 1.00 24.32 H new ATOM 0 HB VAL A 528 8.606 5.599 -0.259 1.00 64.45 H new ATOM 0 HG11 VAL A 528 8.876 3.692 1.301 1.00 1.13 H new ATOM 0 HG12 VAL A 528 7.267 3.739 0.542 1.00 1.13 H new ATOM 0 HG13 VAL A 528 8.487 2.577 -0.030 1.00 1.13 H new ATOM 0 HG21 VAL A 528 10.802 4.604 0.201 1.00 51.30 H new ATOM 0 HG22 VAL A 528 10.610 3.564 -1.230 1.00 51.30 H new ATOM 0 HG23 VAL A 528 10.691 5.332 -1.419 1.00 51.30 H new ATOM 1234 N SER A 529 9.634 5.251 -3.700 1.00 11.24 N ATOM 1235 CA SER A 529 10.199 6.158 -4.694 1.00 30.00 C ATOM 1236 C SER A 529 9.163 6.421 -5.813 1.00 12.14 C ATOM 1237 O SER A 529 9.047 7.535 -6.346 1.00 2.33 O ATOM 1238 CB SER A 529 11.475 5.530 -5.263 1.00 65.42 C ATOM 1239 OG SER A 529 12.376 5.187 -4.208 1.00 12.24 O ATOM 0 H SER A 529 10.136 4.367 -3.615 1.00 11.24 H new ATOM 0 HA SER A 529 10.447 7.115 -4.235 1.00 30.00 H new ATOM 0 HB2 SER A 529 11.224 4.639 -5.839 1.00 65.42 H new ATOM 0 HB3 SER A 529 11.957 6.227 -5.948 1.00 65.42 H new ATOM 0 HG SER A 529 12.169 4.287 -3.881 1.00 12.24 H new ATOM 1245 N LEU A 530 8.412 5.384 -6.118 1.00 34.02 N ATOM 1246 CA LEU A 530 7.338 5.396 -7.083 1.00 10.43 C ATOM 1247 C LEU A 530 6.176 6.276 -6.582 1.00 30.23 C ATOM 1248 O LEU A 530 5.536 6.991 -7.363 1.00 14.31 O ATOM 1249 CB LEU A 530 6.928 3.924 -7.277 1.00 63.42 C ATOM 1250 CG LEU A 530 5.627 3.572 -7.984 1.00 32.21 C ATOM 1251 CD1 LEU A 530 5.553 4.107 -9.400 1.00 51.34 C ATOM 1252 CD2 LEU A 530 5.462 2.065 -7.984 1.00 42.43 C ATOM 0 H LEU A 530 8.541 4.472 -5.680 1.00 34.02 H new ATOM 0 HA LEU A 530 7.642 5.828 -8.037 1.00 10.43 H new ATOM 0 HB2 LEU A 530 7.734 3.435 -7.824 1.00 63.42 H new ATOM 0 HB3 LEU A 530 6.891 3.467 -6.288 1.00 63.42 H new ATOM 0 HG LEU A 530 4.814 4.050 -7.436 1.00 32.21 H new ATOM 0 HD11 LEU A 530 4.601 3.821 -9.848 1.00 51.34 H new ATOM 0 HD12 LEU A 530 5.634 5.194 -9.383 1.00 51.34 H new ATOM 0 HD13 LEU A 530 6.370 3.691 -9.989 1.00 51.34 H new ATOM 0 HD21 LEU A 530 4.533 1.801 -8.488 1.00 42.43 H new ATOM 0 HD22 LEU A 530 6.302 1.607 -8.507 1.00 42.43 H new ATOM 0 HD23 LEU A 530 5.433 1.702 -6.957 1.00 42.43 H new ATOM 1264 N LEU A 531 5.939 6.245 -5.280 1.00 64.43 N ATOM 1265 CA LEU A 531 4.888 7.031 -4.666 1.00 2.22 C ATOM 1266 C LEU A 531 5.298 8.502 -4.547 1.00 63.50 C ATOM 1267 O LEU A 531 4.558 9.382 -4.969 1.00 72.12 O ATOM 1268 CB LEU A 531 4.552 6.477 -3.268 1.00 2.45 C ATOM 1269 CG LEU A 531 3.444 7.203 -2.505 1.00 41.54 C ATOM 1270 CD1 LEU A 531 2.114 7.028 -3.202 1.00 21.54 C ATOM 1271 CD2 LEU A 531 3.363 6.736 -1.054 1.00 51.14 C ATOM 0 H LEU A 531 6.471 5.674 -4.623 1.00 64.43 H new ATOM 0 HA LEU A 531 4.007 6.965 -5.304 1.00 2.22 H new ATOM 0 HB2 LEU A 531 4.267 5.430 -3.373 1.00 2.45 H new ATOM 0 HB3 LEU A 531 5.458 6.501 -2.663 1.00 2.45 H new ATOM 0 HG LEU A 531 3.690 8.265 -2.494 1.00 41.54 H new ATOM 0 HD11 LEU A 531 1.339 7.552 -2.643 1.00 21.54 H new ATOM 0 HD12 LEU A 531 2.175 7.438 -4.210 1.00 21.54 H new ATOM 0 HD13 LEU A 531 1.868 5.967 -3.256 1.00 21.54 H new ATOM 0 HD21 LEU A 531 2.564 7.274 -0.543 1.00 51.14 H new ATOM 0 HD22 LEU A 531 3.155 5.666 -1.027 1.00 51.14 H new ATOM 0 HD23 LEU A 531 4.311 6.934 -0.555 1.00 51.14 H new ATOM 1283 N ARG A 532 6.515 8.750 -4.023 1.00 21.44 N ATOM 1284 CA ARG A 532 7.013 10.128 -3.749 1.00 32.43 C ATOM 1285 C ARG A 532 6.940 10.988 -4.991 1.00 44.21 C ATOM 1286 O ARG A 532 6.660 12.181 -4.920 1.00 35.32 O ATOM 1287 CB ARG A 532 8.483 10.127 -3.315 1.00 65.22 C ATOM 1288 CG ARG A 532 8.863 9.196 -2.188 1.00 12.04 C ATOM 1289 CD ARG A 532 10.325 9.365 -1.827 1.00 62.33 C ATOM 1290 NE ARG A 532 11.207 9.235 -3.002 1.00 4.25 N ATOM 1291 CZ ARG A 532 12.405 8.641 -3.006 1.00 41.23 C ATOM 1292 NH1 ARG A 532 12.875 8.069 -1.903 1.00 63.12 N ATOM 1293 NH2 ARG A 532 13.134 8.623 -4.122 1.00 34.31 N ATOM 0 H ARG A 532 7.179 8.016 -3.778 1.00 21.44 H new ATOM 0 HA ARG A 532 6.378 10.520 -2.955 1.00 32.43 H new ATOM 0 HB2 ARG A 532 9.093 9.875 -4.183 1.00 65.22 H new ATOM 0 HB3 ARG A 532 8.750 11.142 -3.021 1.00 65.22 H new ATOM 0 HG2 ARG A 532 8.242 9.399 -1.316 1.00 12.04 H new ATOM 0 HG3 ARG A 532 8.672 8.164 -2.482 1.00 12.04 H new ATOM 0 HD2 ARG A 532 10.474 10.343 -1.369 1.00 62.33 H new ATOM 0 HD3 ARG A 532 10.602 8.619 -1.082 1.00 62.33 H new ATOM 0 HE ARG A 532 10.877 9.630 -3.882 1.00 4.25 H new ATOM 0 HH11 ARG A 532 12.321 8.081 -1.046 1.00 63.12 H new ATOM 0 HH12 ARG A 532 13.790 7.618 -1.913 1.00 63.12 H new ATOM 0 HH21 ARG A 532 12.778 9.062 -4.971 1.00 34.31 H new ATOM 0 HH22 ARG A 532 14.048 8.170 -4.127 1.00 34.31 H new ATOM 1307 N SER A 533 7.197 10.372 -6.122 1.00 53.10 N ATOM 1308 CA SER A 533 7.245 11.067 -7.369 1.00 50.22 C ATOM 1309 C SER A 533 5.866 11.616 -7.773 1.00 43.31 C ATOM 1310 O SER A 533 5.771 12.761 -8.242 1.00 11.32 O ATOM 1311 CB SER A 533 7.826 10.151 -8.459 1.00 43.31 C ATOM 1312 OG SER A 533 7.958 10.828 -9.693 1.00 61.13 O ATOM 0 H SER A 533 7.378 9.371 -6.194 1.00 53.10 H new ATOM 0 HA SER A 533 7.901 11.929 -7.252 1.00 50.22 H new ATOM 0 HB2 SER A 533 8.800 9.780 -8.141 1.00 43.31 H new ATOM 0 HB3 SER A 533 7.180 9.282 -8.587 1.00 43.31 H new ATOM 0 HG SER A 533 8.331 10.218 -10.363 1.00 61.13 H new ATOM 1318 N THR A 534 4.798 10.809 -7.561 1.00 52.23 N ATOM 1319 CA THR A 534 3.430 11.173 -7.976 1.00 22.40 C ATOM 1320 C THR A 534 3.397 11.264 -9.543 1.00 13.22 C ATOM 1321 O THR A 534 4.435 11.105 -10.201 1.00 23.01 O ATOM 1322 CB THR A 534 3.018 12.547 -7.322 1.00 50.13 C ATOM 1323 OG1 THR A 534 3.329 12.508 -5.915 1.00 41.35 O ATOM 1324 CG2 THR A 534 1.517 12.829 -7.466 1.00 54.35 C ATOM 0 H THR A 534 4.863 9.900 -7.103 1.00 52.23 H new ATOM 0 HA THR A 534 2.717 10.419 -7.642 1.00 22.40 H new ATOM 0 HB THR A 534 3.570 13.334 -7.836 1.00 50.13 H new ATOM 0 HG1 THR A 534 3.077 13.360 -5.501 1.00 41.35 H new ATOM 0 HG21 THR A 534 1.280 13.786 -7.001 1.00 54.35 H new ATOM 0 HG22 THR A 534 1.253 12.864 -8.523 1.00 54.35 H new ATOM 0 HG23 THR A 534 0.949 12.037 -6.977 1.00 54.35 H new ATOM 1332 N LYS A 535 2.246 11.462 -10.145 1.00 52.25 N ATOM 1333 CA LYS A 535 2.237 11.633 -11.577 1.00 34.14 C ATOM 1334 C LYS A 535 2.344 13.106 -11.871 1.00 71.03 C ATOM 1335 O LYS A 535 2.189 13.924 -10.964 1.00 33.20 O ATOM 1336 CB LYS A 535 0.980 11.063 -12.240 1.00 70.44 C ATOM 1337 CG LYS A 535 0.645 9.651 -11.826 1.00 50.51 C ATOM 1338 CD LYS A 535 -0.322 8.967 -12.803 1.00 41.44 C ATOM 1339 CE LYS A 535 -1.593 9.766 -13.025 1.00 2.22 C ATOM 1340 NZ LYS A 535 -2.555 9.053 -13.879 1.00 14.34 N ATOM 0 H LYS A 535 1.337 11.507 -9.685 1.00 52.25 H new ATOM 0 HA LYS A 535 3.080 11.080 -11.991 1.00 34.14 H new ATOM 0 HB2 LYS A 535 0.134 11.709 -12.004 1.00 70.44 H new ATOM 0 HB3 LYS A 535 1.110 11.091 -13.322 1.00 70.44 H new ATOM 0 HG2 LYS A 535 1.563 9.067 -11.760 1.00 50.51 H new ATOM 0 HG3 LYS A 535 0.202 9.663 -10.830 1.00 50.51 H new ATOM 0 HD2 LYS A 535 0.180 8.817 -13.759 1.00 41.44 H new ATOM 0 HD3 LYS A 535 -0.581 7.980 -12.420 1.00 41.44 H new ATOM 0 HE2 LYS A 535 -2.056 9.984 -12.063 1.00 2.22 H new ATOM 0 HE3 LYS A 535 -1.343 10.723 -13.483 1.00 2.22 H new ATOM 0 HZ1 LYS A 535 -3.407 9.636 -14.003 1.00 14.34 H new ATOM 0 HZ2 LYS A 535 -2.124 8.867 -14.807 1.00 14.34 H new ATOM 0 HZ3 LYS A 535 -2.815 8.151 -13.431 1.00 14.34 H new ATOM 1354 N MET A 536 2.580 13.449 -13.113 1.00 4.32 N ATOM 1355 CA MET A 536 2.704 14.846 -13.498 1.00 14.31 C ATOM 1356 C MET A 536 1.334 15.497 -13.523 1.00 64.01 C ATOM 1357 O MET A 536 1.209 16.721 -13.429 1.00 20.14 O ATOM 1358 CB MET A 536 3.386 14.991 -14.855 1.00 21.54 C ATOM 1359 CG MET A 536 4.797 14.440 -14.909 1.00 52.13 C ATOM 1360 SD MET A 536 5.572 14.689 -16.521 1.00 14.03 S ATOM 1361 CE MET A 536 5.550 16.477 -16.619 1.00 75.40 C ATOM 0 H MET A 536 2.691 12.785 -13.880 1.00 4.32 H new ATOM 0 HA MET A 536 3.328 15.349 -12.759 1.00 14.31 H new ATOM 0 HB2 MET A 536 2.782 14.484 -15.608 1.00 21.54 H new ATOM 0 HB3 MET A 536 3.411 16.047 -15.125 1.00 21.54 H new ATOM 0 HG2 MET A 536 5.402 14.921 -14.140 1.00 52.13 H new ATOM 0 HG3 MET A 536 4.777 13.375 -14.679 1.00 52.13 H new ATOM 0 HE1 MET A 536 6.333 16.814 -17.299 1.00 75.40 H new ATOM 0 HE2 MET A 536 4.580 16.809 -16.989 1.00 75.40 H new ATOM 0 HE3 MET A 536 5.724 16.898 -15.629 1.00 75.40 H new ATOM 1371 N GLU A 537 0.317 14.669 -13.678 1.00 34.42 N ATOM 1372 CA GLU A 537 -1.054 15.107 -13.592 1.00 12.20 C ATOM 1373 C GLU A 537 -1.320 15.438 -12.118 1.00 73.03 C ATOM 1374 O GLU A 537 -1.558 16.590 -11.763 1.00 71.01 O ATOM 1375 CB GLU A 537 -1.981 13.977 -14.129 1.00 12.14 C ATOM 1376 CG GLU A 537 -3.476 14.310 -14.279 1.00 44.34 C ATOM 1377 CD GLU A 537 -4.182 14.577 -12.977 1.00 30.44 C ATOM 1378 OE1 GLU A 537 -4.335 13.632 -12.179 1.00 51.14 O ATOM 1379 OE2 GLU A 537 -4.579 15.733 -12.730 1.00 44.04 O ATOM 0 H GLU A 537 0.424 13.673 -13.867 1.00 34.42 H new ATOM 0 HA GLU A 537 -1.252 15.992 -14.197 1.00 12.20 H new ATOM 0 HB2 GLU A 537 -1.604 13.665 -15.103 1.00 12.14 H new ATOM 0 HB3 GLU A 537 -1.890 13.119 -13.462 1.00 12.14 H new ATOM 0 HG2 GLU A 537 -3.579 15.184 -14.921 1.00 44.34 H new ATOM 0 HG3 GLU A 537 -3.972 13.482 -14.785 1.00 44.34 H new ATOM 1386 N GLY A 538 -1.247 14.426 -11.266 1.00 75.04 N ATOM 1387 CA GLY A 538 -1.362 14.667 -9.852 1.00 72.31 C ATOM 1388 C GLY A 538 -2.207 13.662 -9.117 1.00 72.31 C ATOM 1389 O GLY A 538 -2.096 13.539 -7.894 1.00 15.02 O ATOM 0 H GLY A 538 -1.111 13.450 -11.531 1.00 75.04 H new ATOM 0 HA2 GLY A 538 -0.364 14.673 -9.414 1.00 72.31 H new ATOM 0 HA3 GLY A 538 -1.784 15.660 -9.698 1.00 72.31 H new ATOM 1393 N THR A 539 -3.046 12.947 -9.814 1.00 50.33 N ATOM 1394 CA THR A 539 -3.826 11.934 -9.159 1.00 13.42 C ATOM 1395 C THR A 539 -3.092 10.600 -9.292 1.00 51.21 C ATOM 1396 O THR A 539 -2.547 10.290 -10.331 1.00 43.10 O ATOM 1397 CB THR A 539 -5.223 11.810 -9.771 1.00 45.44 C ATOM 1398 OG1 THR A 539 -5.759 13.124 -10.012 1.00 74.01 O ATOM 1399 CG2 THR A 539 -6.148 11.108 -8.801 1.00 75.44 C ATOM 0 H THR A 539 -3.206 13.043 -10.817 1.00 50.33 H new ATOM 0 HA THR A 539 -3.948 12.210 -8.112 1.00 13.42 H new ATOM 0 HB THR A 539 -5.148 11.246 -10.701 1.00 45.44 H new ATOM 0 HG1 THR A 539 -5.412 13.468 -10.862 1.00 74.01 H new ATOM 0 HG21 THR A 539 -7.141 11.023 -9.242 1.00 75.44 H new ATOM 0 HG22 THR A 539 -5.760 10.113 -8.584 1.00 75.44 H new ATOM 0 HG23 THR A 539 -6.210 11.682 -7.877 1.00 75.44 H new ATOM 1407 N VAL A 540 -3.042 9.870 -8.233 1.00 25.11 N ATOM 1408 CA VAL A 540 -2.355 8.607 -8.181 1.00 74.22 C ATOM 1409 C VAL A 540 -3.352 7.459 -8.033 1.00 55.33 C ATOM 1410 O VAL A 540 -4.295 7.557 -7.259 1.00 52.31 O ATOM 1411 CB VAL A 540 -1.348 8.624 -7.003 1.00 71.13 C ATOM 1412 CG1 VAL A 540 -0.643 7.310 -6.841 1.00 65.14 C ATOM 1413 CG2 VAL A 540 -0.339 9.738 -7.191 1.00 24.11 C ATOM 0 H VAL A 540 -3.485 10.132 -7.353 1.00 25.11 H new ATOM 0 HA VAL A 540 -1.810 8.451 -9.112 1.00 74.22 H new ATOM 0 HB VAL A 540 -1.919 8.802 -6.092 1.00 71.13 H new ATOM 0 HG11 VAL A 540 0.052 7.371 -6.004 1.00 65.14 H new ATOM 0 HG12 VAL A 540 -1.375 6.526 -6.649 1.00 65.14 H new ATOM 0 HG13 VAL A 540 -0.093 7.077 -7.753 1.00 65.14 H new ATOM 0 HG21 VAL A 540 0.362 9.738 -6.356 1.00 24.11 H new ATOM 0 HG22 VAL A 540 0.205 9.582 -8.122 1.00 24.11 H new ATOM 0 HG23 VAL A 540 -0.858 10.696 -7.230 1.00 24.11 H new ATOM 1423 N SER A 541 -3.141 6.395 -8.787 1.00 52.13 N ATOM 1424 CA SER A 541 -4.010 5.244 -8.756 1.00 73.42 C ATOM 1425 C SER A 541 -3.428 4.143 -7.872 1.00 45.34 C ATOM 1426 O SER A 541 -2.349 3.640 -8.122 1.00 25.12 O ATOM 1427 CB SER A 541 -4.258 4.722 -10.177 1.00 54.04 C ATOM 1428 OG SER A 541 -5.157 3.621 -10.177 1.00 52.24 O ATOM 0 H SER A 541 -2.360 6.310 -9.437 1.00 52.13 H new ATOM 0 HA SER A 541 -4.964 5.550 -8.327 1.00 73.42 H new ATOM 0 HB2 SER A 541 -4.663 5.524 -10.795 1.00 54.04 H new ATOM 0 HB3 SER A 541 -3.311 4.420 -10.626 1.00 54.04 H new ATOM 0 HG SER A 541 -5.296 3.312 -11.097 1.00 52.24 H new ATOM 1434 N LEU A 542 -4.160 3.795 -6.856 1.00 34.34 N ATOM 1435 CA LEU A 542 -3.801 2.771 -5.908 1.00 65.32 C ATOM 1436 C LEU A 542 -4.780 1.629 -6.060 1.00 64.05 C ATOM 1437 O LEU A 542 -5.979 1.829 -5.968 1.00 41.05 O ATOM 1438 CB LEU A 542 -3.908 3.299 -4.447 1.00 72.23 C ATOM 1439 CG LEU A 542 -2.969 4.439 -4.007 1.00 43.10 C ATOM 1440 CD1 LEU A 542 -1.523 4.055 -4.216 1.00 32.23 C ATOM 1441 CD2 LEU A 542 -3.289 5.748 -4.707 1.00 50.31 C ATOM 0 H LEU A 542 -5.060 4.231 -6.653 1.00 34.34 H new ATOM 0 HA LEU A 542 -2.775 2.458 -6.099 1.00 65.32 H new ATOM 0 HB2 LEU A 542 -4.933 3.635 -4.290 1.00 72.23 H new ATOM 0 HB3 LEU A 542 -3.742 2.456 -3.777 1.00 72.23 H new ATOM 0 HG LEU A 542 -3.134 4.598 -2.941 1.00 43.10 H new ATOM 0 HD11 LEU A 542 -0.879 4.875 -3.898 1.00 32.23 H new ATOM 0 HD12 LEU A 542 -1.294 3.166 -3.629 1.00 32.23 H new ATOM 0 HD13 LEU A 542 -1.351 3.847 -5.272 1.00 32.23 H new ATOM 0 HD21 LEU A 542 -2.601 6.521 -4.365 1.00 50.31 H new ATOM 0 HD22 LEU A 542 -3.184 5.620 -5.784 1.00 50.31 H new ATOM 0 HD23 LEU A 542 -4.312 6.044 -4.475 1.00 50.31 H new ATOM 1453 N LEU A 543 -4.296 0.470 -6.318 1.00 44.14 N ATOM 1454 CA LEU A 543 -5.144 -0.695 -6.396 1.00 10.54 C ATOM 1455 C LEU A 543 -4.906 -1.466 -5.127 1.00 1.41 C ATOM 1456 O LEU A 543 -3.767 -1.865 -4.834 1.00 63.12 O ATOM 1457 CB LEU A 543 -4.802 -1.493 -7.675 1.00 14.32 C ATOM 1458 CG LEU A 543 -5.598 -2.770 -8.082 1.00 64.00 C ATOM 1459 CD1 LEU A 543 -5.378 -3.929 -7.144 1.00 5.34 C ATOM 1460 CD2 LEU A 543 -7.072 -2.481 -8.264 1.00 4.51 C ATOM 0 H LEU A 543 -3.306 0.287 -6.483 1.00 44.14 H new ATOM 0 HA LEU A 543 -6.204 -0.452 -6.473 1.00 10.54 H new ATOM 0 HB2 LEU A 543 -4.874 -0.797 -8.510 1.00 14.32 H new ATOM 0 HB3 LEU A 543 -3.755 -1.786 -7.594 1.00 14.32 H new ATOM 0 HG LEU A 543 -5.196 -3.075 -9.048 1.00 64.00 H new ATOM 0 HD11 LEU A 543 -5.960 -4.786 -7.483 1.00 5.34 H new ATOM 0 HD12 LEU A 543 -4.320 -4.191 -7.131 1.00 5.34 H new ATOM 0 HD13 LEU A 543 -5.695 -3.649 -6.139 1.00 5.34 H new ATOM 0 HD21 LEU A 543 -7.590 -3.397 -8.547 1.00 4.51 H new ATOM 0 HD22 LEU A 543 -7.487 -2.104 -7.329 1.00 4.51 H new ATOM 0 HD23 LEU A 543 -7.202 -1.734 -9.047 1.00 4.51 H new ATOM 1472 N VAL A 544 -5.947 -1.646 -4.378 1.00 41.13 N ATOM 1473 CA VAL A 544 -5.863 -2.242 -3.072 1.00 30.00 C ATOM 1474 C VAL A 544 -6.592 -3.563 -3.029 1.00 20.01 C ATOM 1475 O VAL A 544 -7.405 -3.859 -3.907 1.00 12.41 O ATOM 1476 CB VAL A 544 -6.425 -1.300 -1.985 1.00 64.12 C ATOM 1477 CG1 VAL A 544 -5.643 0.001 -1.945 1.00 34.43 C ATOM 1478 CG2 VAL A 544 -7.910 -1.031 -2.199 1.00 3.42 C ATOM 0 H VAL A 544 -6.893 -1.382 -4.654 1.00 41.13 H new ATOM 0 HA VAL A 544 -4.807 -2.416 -2.867 1.00 30.00 H new ATOM 0 HB VAL A 544 -6.313 -1.798 -1.022 1.00 64.12 H new ATOM 0 HG11 VAL A 544 -6.056 0.650 -1.172 1.00 34.43 H new ATOM 0 HG12 VAL A 544 -4.597 -0.210 -1.721 1.00 34.43 H new ATOM 0 HG13 VAL A 544 -5.714 0.498 -2.912 1.00 34.43 H new ATOM 0 HG21 VAL A 544 -8.275 -0.365 -1.417 1.00 3.42 H new ATOM 0 HG22 VAL A 544 -8.059 -0.564 -3.173 1.00 3.42 H new ATOM 0 HG23 VAL A 544 -8.459 -1.972 -2.160 1.00 3.42 H new ATOM 1488 N PHE A 545 -6.278 -4.353 -2.041 1.00 31.03 N ATOM 1489 CA PHE A 545 -6.841 -5.666 -1.876 1.00 44.12 C ATOM 1490 C PHE A 545 -7.369 -5.844 -0.462 1.00 60.41 C ATOM 1491 O PHE A 545 -6.599 -5.824 0.513 1.00 54.33 O ATOM 1492 CB PHE A 545 -5.764 -6.726 -2.185 1.00 34.31 C ATOM 1493 CG PHE A 545 -6.189 -8.158 -1.983 1.00 20.55 C ATOM 1494 CD1 PHE A 545 -6.811 -8.863 -2.994 1.00 13.24 C ATOM 1495 CD2 PHE A 545 -5.953 -8.798 -0.773 1.00 75.05 C ATOM 1496 CE1 PHE A 545 -7.191 -10.171 -2.809 1.00 64.03 C ATOM 1497 CE2 PHE A 545 -6.334 -10.106 -0.583 1.00 24.00 C ATOM 1498 CZ PHE A 545 -6.952 -10.794 -1.602 1.00 13.25 C ATOM 0 H PHE A 545 -5.611 -4.098 -1.313 1.00 31.03 H new ATOM 0 HA PHE A 545 -7.675 -5.788 -2.567 1.00 44.12 H new ATOM 0 HB2 PHE A 545 -5.443 -6.603 -3.219 1.00 34.31 H new ATOM 0 HB3 PHE A 545 -4.895 -6.531 -1.556 1.00 34.31 H new ATOM 0 HD1 PHE A 545 -7.001 -8.381 -3.942 1.00 13.24 H new ATOM 0 HD2 PHE A 545 -5.465 -8.263 0.028 1.00 75.05 H new ATOM 0 HE1 PHE A 545 -7.677 -10.711 -3.609 1.00 64.03 H new ATOM 0 HE2 PHE A 545 -6.149 -10.592 0.364 1.00 24.00 H new ATOM 0 HZ PHE A 545 -7.250 -11.822 -1.457 1.00 13.25 H new ATOM 1508 N ARG A 546 -8.668 -6.035 -0.347 1.00 12.30 N ATOM 1509 CA ARG A 546 -9.285 -6.263 0.948 1.00 33.32 C ATOM 1510 C ARG A 546 -10.159 -7.479 0.926 1.00 1.44 C ATOM 1511 O ARG A 546 -10.894 -7.713 -0.028 1.00 44.23 O ATOM 1512 CB ARG A 546 -10.068 -5.053 1.446 1.00 61.15 C ATOM 1513 CG ARG A 546 -9.205 -3.835 1.626 1.00 3.24 C ATOM 1514 CD ARG A 546 -9.942 -2.690 2.274 1.00 33.23 C ATOM 1515 NE ARG A 546 -11.122 -2.261 1.529 1.00 40.24 N ATOM 1516 CZ ARG A 546 -11.284 -1.032 1.032 1.00 52.31 C ATOM 1517 NH1 ARG A 546 -10.237 -0.217 0.895 1.00 41.24 N ATOM 1518 NH2 ARG A 546 -12.475 -0.651 0.597 1.00 61.13 N ATOM 0 H ARG A 546 -9.318 -6.037 -1.133 1.00 12.30 H new ATOM 0 HA ARG A 546 -8.469 -6.431 1.651 1.00 33.32 H new ATOM 0 HB2 ARG A 546 -10.866 -4.826 0.739 1.00 61.15 H new ATOM 0 HB3 ARG A 546 -10.544 -5.299 2.395 1.00 61.15 H new ATOM 0 HG2 ARG A 546 -8.339 -4.095 2.235 1.00 3.24 H new ATOM 0 HG3 ARG A 546 -8.828 -3.515 0.655 1.00 3.24 H new ATOM 0 HD2 ARG A 546 -10.244 -2.985 3.279 1.00 33.23 H new ATOM 0 HD3 ARG A 546 -9.262 -1.845 2.381 1.00 33.23 H new ATOM 0 HE ARG A 546 -11.868 -2.941 1.379 1.00 40.24 H new ATOM 0 HH11 ARG A 546 -9.307 -0.531 1.170 1.00 41.24 H new ATOM 0 HH12 ARG A 546 -10.367 0.721 0.515 1.00 41.24 H new ATOM 0 HH21 ARG A 546 -13.265 -1.295 0.642 1.00 61.13 H new ATOM 0 HH22 ARG A 546 -12.603 0.287 0.217 1.00 61.13 H new