USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 381 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 57 ASN :FLIP amide:sc= 0.207 F(o=-1.9,f=0.92) USER MOD Set 1.2: A 65 LYS NZ :NH3+ -162:sc= 0.711 (180deg=0) USER MOD Set 2.1: A 38 THR OG1 : rot 122:sc= 1.43 USER MOD Set 2.2: A 40 CYS SG : rot 114:sc= 1.35 USER MOD Set 2.3: A 42 HIS : no HD1:sc= 0.056 K(o=1.8,f=0.48) USER MOD Set 2.4: A 59 CYS SG : rot 149:sc= -0.573 USER MOD Set 2.5: A 62 CYS SG : rot -46:sc= -0.438 USER MOD Set 3.1: A 18 CYS SG : rot -139:sc= -0.583 USER MOD Set 3.2: A 21 CYS SG : rot -120:sc= 0.0665 USER MOD Set 3.3: A 45 CYS SG : rot 74:sc= -0.0969 USER MOD Set 3.4: A 48 CYS SG : rot 137:sc= -0.399 USER MOD Single : A 17 SER OG : rot 43:sc= 0.45 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.0611 USER MOD Single : A 30 GLN : amide:sc= -0.463 K(o=-0.46,f=-3.1!) USER MOD Single : A 31 ASN : amide:sc= -0.295 K(o=-0.3,f=-1.4) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0938 USER MOD Single : A 47 GLN : amide:sc=-0.00841 X(o=-0.0084,f=-0.0084) USER MOD Single : A 52 SER OG : rot 150:sc= -0.38 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.107 K(o=-0.11,f=-1.4!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 176 N VAL A 16 -4.211 -10.452 2.491 1.00 0.00 N ATOM 177 CA VAL A 16 -3.975 -9.058 2.848 1.00 0.00 C ATOM 178 C VAL A 16 -4.522 -8.746 4.236 1.00 0.00 C ATOM 179 O VAL A 16 -5.542 -9.296 4.651 1.00 0.00 O ATOM 180 CB VAL A 16 -4.621 -8.101 1.827 1.00 0.00 C ATOM 181 CG1 VAL A 16 -4.037 -8.326 0.441 1.00 0.00 C ATOM 182 CG2 VAL A 16 -6.132 -8.278 1.813 1.00 0.00 C ATOM 0 HA VAL A 16 -2.895 -8.908 2.844 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.401 -7.076 2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.505 -7.642 -0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.963 -8.144 0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.224 -9.354 0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.572 -7.595 1.087 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.376 -9.305 1.539 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.533 -8.062 2.803 1.00 0.00 H new ATOM 192 N SER A 17 -3.836 -7.860 4.951 1.00 0.00 N ATOM 193 CA SER A 17 -4.250 -7.476 6.295 1.00 0.00 C ATOM 194 C SER A 17 -3.733 -6.085 6.647 1.00 0.00 C ATOM 195 O SER A 17 -2.525 -5.859 6.722 1.00 0.00 O ATOM 196 CB SER A 17 -3.743 -8.495 7.318 1.00 0.00 C ATOM 197 OG SER A 17 -2.331 -8.610 7.266 1.00 0.00 O ATOM 0 H SER A 17 -2.990 -7.394 4.621 1.00 0.00 H new ATOM 0 HA SER A 17 -5.340 -7.456 6.321 1.00 0.00 H new ATOM 0 HB2 SER A 17 -4.050 -8.193 8.319 1.00 0.00 H new ATOM 0 HB3 SER A 17 -4.198 -9.467 7.124 1.00 0.00 H new ATOM 0 HG SER A 17 -1.933 -7.718 7.195 1.00 0.00 H new ATOM 203 N CYS A 18 -4.657 -5.154 6.862 1.00 0.00 N ATOM 204 CA CYS A 18 -4.297 -3.784 7.205 1.00 0.00 C ATOM 205 C CYS A 18 -4.379 -3.562 8.713 1.00 0.00 C ATOM 206 O CYS A 18 -5.435 -3.700 9.330 1.00 0.00 O ATOM 207 CB CYS A 18 -5.216 -2.797 6.483 1.00 0.00 C ATOM 208 SG CYS A 18 -4.914 -1.051 6.908 1.00 0.00 S ATOM 0 H CYS A 18 -5.661 -5.324 6.805 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.269 -3.614 6.885 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.094 -2.924 5.407 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.252 -3.043 6.718 1.00 0.00 H new ATOM 0 HG CYS A 18 -6.050 -0.432 7.035 1.00 0.00 H new ATOM 213 N PRO A 19 -3.237 -3.208 9.321 1.00 0.00 N ATOM 214 CA PRO A 19 -3.153 -2.958 10.763 1.00 0.00 C ATOM 215 C PRO A 19 -3.881 -1.683 11.174 1.00 0.00 C ATOM 216 O PRO A 19 -4.169 -1.474 12.353 1.00 0.00 O ATOM 217 CB PRO A 19 -1.649 -2.819 11.012 1.00 0.00 C ATOM 218 CG PRO A 19 -1.088 -2.376 9.705 1.00 0.00 C ATOM 219 CD PRO A 19 -1.940 -3.024 8.648 1.00 0.00 C ATOM 0 HA PRO A 19 -3.623 -3.753 11.342 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.443 -2.092 11.798 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.211 -3.765 11.330 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.115 -1.290 9.617 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.045 -2.678 9.605 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.032 -2.393 7.764 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.519 -3.974 8.320 1.00 0.00 H new ATOM 227 N ILE A 20 -4.177 -0.835 10.196 1.00 0.00 N ATOM 228 CA ILE A 20 -4.873 0.419 10.456 1.00 0.00 C ATOM 229 C ILE A 20 -6.346 0.175 10.769 1.00 0.00 C ATOM 230 O ILE A 20 -6.797 0.391 11.895 1.00 0.00 O ATOM 231 CB ILE A 20 -4.767 1.382 9.259 1.00 0.00 C ATOM 232 CG1 ILE A 20 -3.314 1.491 8.792 1.00 0.00 C ATOM 233 CG2 ILE A 20 -5.314 2.752 9.631 1.00 0.00 C ATOM 234 CD1 ILE A 20 -2.370 1.989 9.865 1.00 0.00 C ATOM 0 H ILE A 20 -3.946 -0.993 9.215 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.390 0.874 11.321 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.364 0.985 8.438 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.977 0.513 8.448 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.265 2.164 7.936 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.232 3.421 8.775 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.361 2.659 9.920 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.742 3.158 10.465 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.358 2.041 9.464 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.682 2.981 10.193 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.389 1.304 10.713 1.00 0.00 H new ATOM 246 N CYS A 21 -7.091 -0.277 9.766 1.00 0.00 N ATOM 247 CA CYS A 21 -8.512 -0.553 9.933 1.00 0.00 C ATOM 248 C CYS A 21 -8.731 -1.938 10.535 1.00 0.00 C ATOM 249 O CYS A 21 -9.760 -2.199 11.158 1.00 0.00 O ATOM 250 CB CYS A 21 -9.234 -0.449 8.588 1.00 0.00 C ATOM 251 SG CYS A 21 -8.564 -1.546 7.298 1.00 0.00 S ATOM 0 H CYS A 21 -6.733 -0.460 8.828 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.923 0.189 10.617 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -10.289 -0.681 8.735 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.180 0.582 8.237 1.00 0.00 H new ATOM 0 HG CYS A 21 -8.161 -0.833 6.289 1.00 0.00 H new ATOM 256 N MET A 22 -7.756 -2.821 10.344 1.00 0.00 N ATOM 257 CA MET A 22 -7.842 -4.178 10.869 1.00 0.00 C ATOM 258 C MET A 22 -9.088 -4.886 10.347 1.00 0.00 C ATOM 259 O MET A 22 -9.818 -5.521 11.109 1.00 0.00 O ATOM 260 CB MET A 22 -7.857 -4.156 12.399 1.00 0.00 C ATOM 261 CG MET A 22 -6.478 -3.994 13.018 1.00 0.00 C ATOM 262 SD MET A 22 -6.548 -3.513 14.754 1.00 0.00 S ATOM 263 CE MET A 22 -6.466 -5.115 15.552 1.00 0.00 C ATOM 0 H MET A 22 -6.898 -2.621 9.830 1.00 0.00 H new ATOM 0 HA MET A 22 -6.964 -4.728 10.529 1.00 0.00 H new ATOM 0 HB2 MET A 22 -8.496 -3.340 12.736 1.00 0.00 H new ATOM 0 HB3 MET A 22 -8.303 -5.081 12.763 1.00 0.00 H new ATOM 0 HG2 MET A 22 -5.931 -4.932 12.927 1.00 0.00 H new ATOM 0 HG3 MET A 22 -5.919 -3.243 12.459 1.00 0.00 H new ATOM 0 HE1 MET A 22 -6.499 -4.985 16.634 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.312 -5.724 15.234 1.00 0.00 H new ATOM 0 HE3 MET A 22 -5.537 -5.612 15.275 1.00 0.00 H new ATOM 273 N ASP A 23 -9.326 -4.771 9.045 1.00 0.00 N ATOM 274 CA ASP A 23 -10.484 -5.401 8.421 1.00 0.00 C ATOM 275 C ASP A 23 -10.054 -6.340 7.299 1.00 0.00 C ATOM 276 O ASP A 23 -8.866 -6.468 7.005 1.00 0.00 O ATOM 277 CB ASP A 23 -11.437 -4.337 7.875 1.00 0.00 C ATOM 278 CG ASP A 23 -12.372 -3.795 8.938 1.00 0.00 C ATOM 279 OD1 ASP A 23 -11.885 -3.454 10.037 1.00 0.00 O ATOM 280 OD2 ASP A 23 -13.589 -3.712 8.673 1.00 0.00 O ATOM 0 H ASP A 23 -8.733 -4.248 8.401 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.002 -5.986 9.181 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.857 -3.516 7.453 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.025 -4.763 7.062 1.00 0.00 H new ATOM 285 N GLY A 24 -11.028 -6.997 6.677 1.00 0.00 N ATOM 286 CA GLY A 24 -10.730 -7.918 5.596 1.00 0.00 C ATOM 287 C GLY A 24 -10.499 -7.207 4.277 1.00 0.00 C ATOM 288 O GLY A 24 -10.432 -5.978 4.229 1.00 0.00 O ATOM 0 H GLY A 24 -12.019 -6.908 6.903 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -9.844 -8.500 5.852 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.554 -8.623 5.486 1.00 0.00 H new ATOM 292 N TYR A 25 -10.375 -7.980 3.204 1.00 0.00 N ATOM 293 CA TYR A 25 -10.146 -7.418 1.878 1.00 0.00 C ATOM 294 C TYR A 25 -11.453 -6.935 1.258 1.00 0.00 C ATOM 295 O TYR A 25 -11.622 -5.747 0.983 1.00 0.00 O ATOM 296 CB TYR A 25 -9.488 -8.455 0.967 1.00 0.00 C ATOM 297 CG TYR A 25 -9.583 -8.118 -0.503 1.00 0.00 C ATOM 298 CD1 TYR A 25 -10.699 -8.478 -1.248 1.00 0.00 C ATOM 299 CD2 TYR A 25 -8.558 -7.436 -1.147 1.00 0.00 C ATOM 300 CE1 TYR A 25 -10.790 -8.172 -2.592 1.00 0.00 C ATOM 301 CE2 TYR A 25 -8.641 -7.125 -2.491 1.00 0.00 C ATOM 302 CZ TYR A 25 -9.758 -7.495 -3.209 1.00 0.00 C ATOM 303 OH TYR A 25 -9.846 -7.187 -4.547 1.00 0.00 O ATOM 0 H TYR A 25 -10.429 -8.998 3.226 1.00 0.00 H new ATOM 0 HA TYR A 25 -9.478 -6.563 1.984 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -8.438 -8.553 1.241 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.954 -9.425 1.139 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.510 -9.006 -0.768 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.681 -7.144 -0.588 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.664 -8.461 -3.157 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.835 -6.595 -2.976 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.037 -6.709 -4.826 1.00 0.00 H new ATOM 313 N SER A 26 -12.376 -7.866 1.040 1.00 0.00 N ATOM 314 CA SER A 26 -13.669 -7.539 0.450 1.00 0.00 C ATOM 315 C SER A 26 -14.231 -6.254 1.051 1.00 0.00 C ATOM 316 O SER A 26 -14.740 -5.392 0.336 1.00 0.00 O ATOM 317 CB SER A 26 -14.656 -8.688 0.659 1.00 0.00 C ATOM 318 OG SER A 26 -14.953 -8.861 2.034 1.00 0.00 O ATOM 0 H SER A 26 -12.252 -8.854 1.263 1.00 0.00 H new ATOM 0 HA SER A 26 -13.524 -7.386 -0.619 1.00 0.00 H new ATOM 0 HB2 SER A 26 -15.575 -8.487 0.108 1.00 0.00 H new ATOM 0 HB3 SER A 26 -14.237 -9.610 0.255 1.00 0.00 H new ATOM 0 HG SER A 26 -15.587 -9.600 2.141 1.00 0.00 H new ATOM 324 N GLU A 27 -14.135 -6.136 2.372 1.00 0.00 N ATOM 325 CA GLU A 27 -14.635 -4.958 3.071 1.00 0.00 C ATOM 326 C GLU A 27 -13.961 -3.691 2.552 1.00 0.00 C ATOM 327 O GLU A 27 -14.631 -2.744 2.138 1.00 0.00 O ATOM 328 CB GLU A 27 -14.401 -5.093 4.577 1.00 0.00 C ATOM 329 CG GLU A 27 -15.516 -5.829 5.302 1.00 0.00 C ATOM 330 CD GLU A 27 -15.037 -6.508 6.571 1.00 0.00 C ATOM 331 OE1 GLU A 27 -14.377 -7.563 6.467 1.00 0.00 O ATOM 332 OE2 GLU A 27 -15.322 -5.983 7.668 1.00 0.00 O ATOM 0 H GLU A 27 -13.716 -6.841 2.979 1.00 0.00 H new ATOM 0 HA GLU A 27 -15.706 -4.883 2.883 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.461 -5.619 4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.292 -4.099 5.010 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -16.311 -5.125 5.549 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -15.947 -6.576 4.635 1.00 0.00 H new ATOM 339 N ILE A 28 -12.633 -3.681 2.579 1.00 0.00 N ATOM 340 CA ILE A 28 -11.869 -2.531 2.111 1.00 0.00 C ATOM 341 C ILE A 28 -12.195 -2.208 0.657 1.00 0.00 C ATOM 342 O ILE A 28 -12.327 -1.043 0.283 1.00 0.00 O ATOM 343 CB ILE A 28 -10.353 -2.771 2.244 1.00 0.00 C ATOM 344 CG1 ILE A 28 -9.982 -3.028 3.706 1.00 0.00 C ATOM 345 CG2 ILE A 28 -9.578 -1.582 1.697 1.00 0.00 C ATOM 346 CD1 ILE A 28 -8.706 -3.824 3.875 1.00 0.00 C ATOM 0 H ILE A 28 -12.064 -4.456 2.920 1.00 0.00 H new ATOM 0 HA ILE A 28 -12.152 -1.687 2.740 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.087 -3.652 1.660 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.875 -2.072 4.219 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -10.800 -3.560 4.192 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.509 -1.767 1.798 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.824 -1.441 0.645 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.845 -0.685 2.256 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.505 -3.968 4.937 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.816 -4.795 3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.877 -3.283 3.419 1.00 0.00 H new ATOM 358 N VAL A 29 -12.326 -3.249 -0.159 1.00 0.00 N ATOM 359 CA VAL A 29 -12.641 -3.077 -1.573 1.00 0.00 C ATOM 360 C VAL A 29 -14.146 -3.116 -1.809 1.00 0.00 C ATOM 361 O VAL A 29 -14.607 -3.543 -2.868 1.00 0.00 O ATOM 362 CB VAL A 29 -11.969 -4.164 -2.433 1.00 0.00 C ATOM 363 CG1 VAL A 29 -10.464 -3.950 -2.484 1.00 0.00 C ATOM 364 CG2 VAL A 29 -12.301 -5.548 -1.897 1.00 0.00 C ATOM 0 H VAL A 29 -12.219 -4.220 0.134 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.255 -2.101 -1.867 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.357 -4.090 -3.449 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.006 -4.727 -3.096 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.250 -2.973 -2.918 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.056 -3.996 -1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.818 -6.304 -2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -11.943 -5.637 -0.871 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.381 -5.697 -1.918 1.00 0.00 H new ATOM 374 N GLN A 30 -14.907 -2.667 -0.817 1.00 0.00 N ATOM 375 CA GLN A 30 -16.362 -2.650 -0.917 1.00 0.00 C ATOM 376 C GLN A 30 -16.868 -1.252 -1.257 1.00 0.00 C ATOM 377 O GLN A 30 -17.445 -0.568 -0.412 1.00 0.00 O ATOM 378 CB GLN A 30 -16.990 -3.129 0.392 1.00 0.00 C ATOM 379 CG GLN A 30 -18.331 -3.821 0.206 1.00 0.00 C ATOM 380 CD GLN A 30 -19.499 -2.856 0.270 1.00 0.00 C ATOM 381 OE1 GLN A 30 -19.400 -1.782 0.864 1.00 0.00 O ATOM 382 NE2 GLN A 30 -20.615 -3.235 -0.343 1.00 0.00 N ATOM 0 H GLN A 30 -14.541 -2.310 0.065 1.00 0.00 H new ATOM 0 HA GLN A 30 -16.654 -3.327 -1.720 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -16.302 -3.815 0.886 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -17.120 -2.275 1.057 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -18.341 -4.334 -0.756 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -18.452 -4.584 0.975 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -20.653 -4.134 -0.823 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -21.434 -2.627 -0.333 1.00 0.00 H new ATOM 391 N ASN A 31 -16.649 -0.834 -2.499 1.00 0.00 N ATOM 392 CA ASN A 31 -17.082 0.484 -2.949 1.00 0.00 C ATOM 393 C ASN A 31 -16.857 1.532 -1.863 1.00 0.00 C ATOM 394 O ASN A 31 -17.733 2.348 -1.583 1.00 0.00 O ATOM 395 CB ASN A 31 -18.560 0.450 -3.343 1.00 0.00 C ATOM 396 CG ASN A 31 -18.992 1.706 -4.076 1.00 0.00 C ATOM 397 OD1 ASN A 31 -18.182 2.369 -4.724 1.00 0.00 O ATOM 398 ND2 ASN A 31 -20.274 2.039 -3.975 1.00 0.00 N ATOM 0 H ASN A 31 -16.175 -1.388 -3.212 1.00 0.00 H new ATOM 0 HA ASN A 31 -16.486 0.757 -3.820 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -18.745 -0.418 -3.976 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -19.169 0.327 -2.448 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -20.623 2.874 -4.446 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -20.910 1.460 -3.427 1.00 0.00 H new ATOM 405 N GLY A 32 -15.676 1.501 -1.254 1.00 0.00 N ATOM 406 CA GLY A 32 -15.356 2.453 -0.206 1.00 0.00 C ATOM 407 C GLY A 32 -13.897 2.864 -0.221 1.00 0.00 C ATOM 408 O GLY A 32 -13.581 4.054 -0.228 1.00 0.00 O ATOM 0 H GLY A 32 -14.935 0.834 -1.467 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -15.981 3.339 -0.321 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -15.597 2.016 0.763 1.00 0.00 H new ATOM 412 N ARG A 33 -13.006 1.878 -0.225 1.00 0.00 N ATOM 413 CA ARG A 33 -11.573 2.144 -0.236 1.00 0.00 C ATOM 414 C ARG A 33 -10.862 1.252 -1.250 1.00 0.00 C ATOM 415 O ARG A 33 -11.494 0.441 -1.930 1.00 0.00 O ATOM 416 CB ARG A 33 -10.981 1.922 1.157 1.00 0.00 C ATOM 417 CG ARG A 33 -11.666 2.731 2.246 1.00 0.00 C ATOM 418 CD ARG A 33 -11.187 4.175 2.252 1.00 0.00 C ATOM 419 NE ARG A 33 -11.893 4.981 3.244 1.00 0.00 N ATOM 420 CZ ARG A 33 -11.737 4.837 4.555 1.00 0.00 C ATOM 421 NH1 ARG A 33 -10.903 3.922 5.030 1.00 0.00 N ATOM 422 NH2 ARG A 33 -12.415 5.609 5.395 1.00 0.00 N ATOM 0 H ARG A 33 -13.251 0.888 -0.221 1.00 0.00 H new ATOM 0 HA ARG A 33 -11.424 3.184 -0.525 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.048 0.863 1.406 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.922 2.179 1.137 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.745 2.705 2.096 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.468 2.277 3.217 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.117 4.201 2.458 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.332 4.609 1.263 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.542 5.694 2.912 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.380 3.327 4.388 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.785 3.813 6.037 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.057 6.314 5.034 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.294 5.497 6.402 1.00 0.00 H new ATOM 436 N LEU A 34 -9.547 1.406 -1.347 1.00 0.00 N ATOM 437 CA LEU A 34 -8.750 0.616 -2.278 1.00 0.00 C ATOM 438 C LEU A 34 -7.577 -0.048 -1.564 1.00 0.00 C ATOM 439 O LEU A 34 -7.240 0.313 -0.436 1.00 0.00 O ATOM 440 CB LEU A 34 -8.235 1.498 -3.417 1.00 0.00 C ATOM 441 CG LEU A 34 -8.010 0.800 -4.758 1.00 0.00 C ATOM 442 CD1 LEU A 34 -9.333 0.332 -5.345 1.00 0.00 C ATOM 443 CD2 LEU A 34 -7.293 1.728 -5.729 1.00 0.00 C ATOM 0 H LEU A 34 -9.009 2.072 -0.792 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.389 -0.164 -2.692 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.944 2.312 -3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.294 1.949 -3.103 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.381 -0.074 -4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.153 -0.163 -6.300 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.809 -0.368 -4.658 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.987 1.190 -5.499 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.141 1.214 -6.678 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.897 2.621 -5.892 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.327 2.014 -5.313 1.00 0.00 H new ATOM 455 N ILE A 35 -6.958 -1.019 -2.229 1.00 0.00 N ATOM 456 CA ILE A 35 -5.821 -1.730 -1.658 1.00 0.00 C ATOM 457 C ILE A 35 -4.504 -1.185 -2.200 1.00 0.00 C ATOM 458 O ILE A 35 -4.224 -1.281 -3.395 1.00 0.00 O ATOM 459 CB ILE A 35 -5.898 -3.240 -1.950 1.00 0.00 C ATOM 460 CG1 ILE A 35 -7.177 -3.833 -1.356 1.00 0.00 C ATOM 461 CG2 ILE A 35 -4.672 -3.950 -1.396 1.00 0.00 C ATOM 462 CD1 ILE A 35 -7.296 -3.636 0.139 1.00 0.00 C ATOM 0 H ILE A 35 -7.225 -1.331 -3.163 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.860 -1.574 -0.580 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.921 -3.385 -3.030 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.039 -3.379 -1.844 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.210 -4.900 -1.578 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.741 -5.016 -1.610 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.774 -3.544 -1.862 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.621 -3.799 -0.318 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.226 -4.081 0.492 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.453 -4.115 0.637 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.295 -2.570 0.367 1.00 0.00 H new ATOM 474 N VAL A 36 -3.697 -0.613 -1.312 1.00 0.00 N ATOM 475 CA VAL A 36 -2.407 -0.056 -1.699 1.00 0.00 C ATOM 476 C VAL A 36 -1.261 -0.800 -1.023 1.00 0.00 C ATOM 477 O VAL A 36 -1.467 -1.531 -0.055 1.00 0.00 O ATOM 478 CB VAL A 36 -2.313 1.441 -1.345 1.00 0.00 C ATOM 479 CG1 VAL A 36 -3.226 2.261 -2.244 1.00 0.00 C ATOM 480 CG2 VAL A 36 -2.654 1.663 0.121 1.00 0.00 C ATOM 0 H VAL A 36 -3.914 -0.523 -0.319 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.324 -0.172 -2.780 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.288 1.773 -1.510 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.146 3.315 -1.979 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.930 2.125 -3.284 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.257 1.931 -2.114 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.583 2.725 0.354 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.669 1.316 0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.955 1.107 0.745 1.00 0.00 H new ATOM 490 N SER A 37 -0.051 -0.608 -1.540 1.00 0.00 N ATOM 491 CA SER A 37 1.129 -1.263 -0.989 1.00 0.00 C ATOM 492 C SER A 37 2.265 -0.264 -0.796 1.00 0.00 C ATOM 493 O SER A 37 2.288 0.798 -1.420 1.00 0.00 O ATOM 494 CB SER A 37 1.583 -2.399 -1.907 1.00 0.00 C ATOM 495 OG SER A 37 1.957 -1.906 -3.182 1.00 0.00 O ATOM 0 H SER A 37 0.137 -0.004 -2.340 1.00 0.00 H new ATOM 0 HA SER A 37 0.864 -1.676 -0.016 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.426 -2.922 -1.454 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.778 -3.126 -2.016 1.00 0.00 H new ATOM 0 HG SER A 37 2.245 -2.651 -3.749 1.00 0.00 H new ATOM 501 N THR A 38 3.210 -0.611 0.073 1.00 0.00 N ATOM 502 CA THR A 38 4.349 0.254 0.350 1.00 0.00 C ATOM 503 C THR A 38 5.655 -0.398 -0.091 1.00 0.00 C ATOM 504 O THR A 38 5.662 -1.533 -0.567 1.00 0.00 O ATOM 505 CB THR A 38 4.442 0.599 1.848 1.00 0.00 C ATOM 506 OG1 THR A 38 4.597 -0.598 2.618 1.00 0.00 O ATOM 507 CG2 THR A 38 3.200 1.347 2.309 1.00 0.00 C ATOM 0 H THR A 38 3.208 -1.486 0.597 1.00 0.00 H new ATOM 0 HA THR A 38 4.194 1.171 -0.218 1.00 0.00 H new ATOM 0 HB THR A 38 5.310 1.241 1.997 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.428 -0.549 3.136 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.288 1.580 3.370 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.101 2.272 1.741 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.320 0.725 2.146 1.00 0.00 H new ATOM 515 N GLU A 39 6.757 0.327 0.070 1.00 0.00 N ATOM 516 CA GLU A 39 8.069 -0.183 -0.312 1.00 0.00 C ATOM 517 C GLU A 39 8.667 -1.036 0.803 1.00 0.00 C ATOM 518 O GLU A 39 9.144 -2.146 0.563 1.00 0.00 O ATOM 519 CB GLU A 39 9.013 0.974 -0.646 1.00 0.00 C ATOM 520 CG GLU A 39 10.409 0.525 -1.043 1.00 0.00 C ATOM 521 CD GLU A 39 10.400 -0.468 -2.189 1.00 0.00 C ATOM 522 OE1 GLU A 39 10.417 -0.027 -3.357 1.00 0.00 O ATOM 523 OE2 GLU A 39 10.375 -1.687 -1.917 1.00 0.00 O ATOM 0 H GLU A 39 6.768 1.269 0.462 1.00 0.00 H new ATOM 0 HA GLU A 39 7.944 -0.808 -1.197 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.584 1.559 -1.459 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.085 1.634 0.218 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.999 1.396 -1.327 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.900 0.074 -0.181 1.00 0.00 H new ATOM 530 N CYS A 40 8.639 -0.509 2.023 1.00 0.00 N ATOM 531 CA CYS A 40 9.179 -1.220 3.176 1.00 0.00 C ATOM 532 C CYS A 40 8.821 -2.702 3.117 1.00 0.00 C ATOM 533 O CYS A 40 9.612 -3.558 3.512 1.00 0.00 O ATOM 534 CB CYS A 40 8.648 -0.607 4.473 1.00 0.00 C ATOM 535 SG CYS A 40 6.850 -0.790 4.700 1.00 0.00 S ATOM 0 H CYS A 40 8.248 0.408 2.239 1.00 0.00 H new ATOM 0 HA CYS A 40 10.265 -1.125 3.155 1.00 0.00 H new ATOM 0 HB2 CYS A 40 9.159 -1.070 5.317 1.00 0.00 H new ATOM 0 HB3 CYS A 40 8.900 0.453 4.491 1.00 0.00 H new ATOM 0 HG CYS A 40 6.618 -1.569 5.715 1.00 0.00 H new ATOM 540 N GLY A 41 7.624 -2.998 2.620 1.00 0.00 N ATOM 541 CA GLY A 41 7.182 -4.377 2.519 1.00 0.00 C ATOM 542 C GLY A 41 5.946 -4.652 3.351 1.00 0.00 C ATOM 543 O GLY A 41 5.832 -5.707 3.977 1.00 0.00 O ATOM 0 H GLY A 41 6.952 -2.307 2.285 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.974 -4.613 1.475 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.987 -5.038 2.841 1.00 0.00 H new ATOM 547 N HIS A 42 5.016 -3.702 3.359 1.00 0.00 N ATOM 548 CA HIS A 42 3.781 -3.847 4.122 1.00 0.00 C ATOM 549 C HIS A 42 2.564 -3.584 3.240 1.00 0.00 C ATOM 550 O HIS A 42 2.698 -3.231 2.068 1.00 0.00 O ATOM 551 CB HIS A 42 3.778 -2.889 5.314 1.00 0.00 C ATOM 552 CG HIS A 42 4.481 -3.432 6.520 1.00 0.00 C ATOM 553 ND1 HIS A 42 5.433 -2.721 7.219 1.00 0.00 N ATOM 554 CD2 HIS A 42 4.365 -4.624 7.151 1.00 0.00 C ATOM 555 CE1 HIS A 42 5.874 -3.453 8.228 1.00 0.00 C ATOM 556 NE2 HIS A 42 5.241 -4.612 8.209 1.00 0.00 N ATOM 0 H HIS A 42 5.094 -2.824 2.846 1.00 0.00 H new ATOM 0 HA HIS A 42 3.727 -4.872 4.489 1.00 0.00 H new ATOM 0 HB2 HIS A 42 4.251 -1.953 5.018 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.747 -2.655 5.579 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.706 -5.434 6.874 1.00 0.00 H new ATOM 0 HE1 HIS A 42 6.624 -3.154 8.945 1.00 0.00 H new ATOM 0 HE2 HIS A 42 5.380 -5.374 8.872 1.00 0.00 H new ATOM 564 N VAL A 43 1.377 -3.760 3.811 1.00 0.00 N ATOM 565 CA VAL A 43 0.136 -3.542 3.077 1.00 0.00 C ATOM 566 C VAL A 43 -0.790 -2.595 3.833 1.00 0.00 C ATOM 567 O VAL A 43 -0.931 -2.688 5.052 1.00 0.00 O ATOM 568 CB VAL A 43 -0.604 -4.868 2.819 1.00 0.00 C ATOM 569 CG1 VAL A 43 -1.900 -4.618 2.064 1.00 0.00 C ATOM 570 CG2 VAL A 43 0.289 -5.835 2.056 1.00 0.00 C ATOM 0 H VAL A 43 1.248 -4.053 4.780 1.00 0.00 H new ATOM 0 HA VAL A 43 0.408 -3.094 2.121 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.853 -5.319 3.780 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.409 -5.566 1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.543 -3.963 2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.678 -4.145 1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.249 -6.767 1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.569 -5.394 1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.187 -6.038 2.639 1.00 0.00 H new ATOM 580 N PHE A 44 -1.420 -1.683 3.100 1.00 0.00 N ATOM 581 CA PHE A 44 -2.333 -0.717 3.701 1.00 0.00 C ATOM 582 C PHE A 44 -3.421 -0.309 2.711 1.00 0.00 C ATOM 583 O PHE A 44 -3.368 -0.661 1.532 1.00 0.00 O ATOM 584 CB PHE A 44 -1.565 0.520 4.170 1.00 0.00 C ATOM 585 CG PHE A 44 -0.433 0.204 5.105 1.00 0.00 C ATOM 586 CD1 PHE A 44 -0.658 0.068 6.465 1.00 0.00 C ATOM 587 CD2 PHE A 44 0.856 0.041 4.623 1.00 0.00 C ATOM 588 CE1 PHE A 44 0.382 -0.222 7.328 1.00 0.00 C ATOM 589 CE2 PHE A 44 1.900 -0.250 5.481 1.00 0.00 C ATOM 590 CZ PHE A 44 1.663 -0.383 6.835 1.00 0.00 C ATOM 0 H PHE A 44 -1.315 -1.592 2.089 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.807 -1.189 4.562 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.171 1.045 3.300 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.257 1.201 4.667 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.658 0.190 6.856 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.047 0.142 3.565 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.194 -0.323 8.387 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.900 -0.373 5.093 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.477 -0.612 7.507 1.00 0.00 H new ATOM 600 N CYS A 45 -4.408 0.434 3.200 1.00 0.00 N ATOM 601 CA CYS A 45 -5.510 0.890 2.361 1.00 0.00 C ATOM 602 C CYS A 45 -5.268 2.316 1.873 1.00 0.00 C ATOM 603 O CYS A 45 -4.338 2.987 2.320 1.00 0.00 O ATOM 604 CB CYS A 45 -6.829 0.821 3.134 1.00 0.00 C ATOM 605 SG CYS A 45 -7.113 -0.768 3.978 1.00 0.00 S ATOM 0 H CYS A 45 -4.467 0.733 4.173 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.570 0.233 1.493 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.847 1.621 3.874 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -7.652 1.006 2.444 1.00 0.00 H new ATOM 0 HG CYS A 45 -6.343 -0.848 5.023 1.00 0.00 H new ATOM 610 N SER A 46 -6.112 2.771 0.953 1.00 0.00 N ATOM 611 CA SER A 46 -5.988 4.115 0.401 1.00 0.00 C ATOM 612 C SER A 46 -6.106 5.167 1.500 1.00 0.00 C ATOM 613 O SER A 46 -5.169 5.925 1.750 1.00 0.00 O ATOM 614 CB SER A 46 -7.061 4.353 -0.664 1.00 0.00 C ATOM 615 OG SER A 46 -8.353 4.057 -0.162 1.00 0.00 O ATOM 0 H SER A 46 -6.889 2.229 0.574 1.00 0.00 H new ATOM 0 HA SER A 46 -5.003 4.202 -0.058 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.025 5.391 -0.995 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.856 3.733 -1.537 1.00 0.00 H new ATOM 0 HG SER A 46 -9.021 4.219 -0.861 1.00 0.00 H new ATOM 621 N GLN A 47 -7.263 5.206 2.152 1.00 0.00 N ATOM 622 CA GLN A 47 -7.504 6.165 3.223 1.00 0.00 C ATOM 623 C GLN A 47 -6.538 5.940 4.382 1.00 0.00 C ATOM 624 O GLN A 47 -5.766 6.830 4.742 1.00 0.00 O ATOM 625 CB GLN A 47 -8.947 6.056 3.719 1.00 0.00 C ATOM 626 CG GLN A 47 -9.260 6.977 4.888 1.00 0.00 C ATOM 627 CD GLN A 47 -9.234 8.442 4.499 1.00 0.00 C ATOM 628 OE1 GLN A 47 -9.981 8.877 3.622 1.00 0.00 O ATOM 629 NE2 GLN A 47 -8.372 9.213 5.153 1.00 0.00 N ATOM 0 H GLN A 47 -8.048 4.585 1.957 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.339 7.166 2.824 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.624 6.285 2.896 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -9.143 5.026 4.016 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.243 6.729 5.288 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.538 6.804 5.686 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.772 8.810 5.873 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.311 10.208 4.935 1.00 0.00 H new ATOM 638 N CYS A 48 -6.585 4.746 4.962 1.00 0.00 N ATOM 639 CA CYS A 48 -5.715 4.404 6.081 1.00 0.00 C ATOM 640 C CYS A 48 -4.310 4.959 5.867 1.00 0.00 C ATOM 641 O CYS A 48 -3.855 5.831 6.609 1.00 0.00 O ATOM 642 CB CYS A 48 -5.654 2.886 6.261 1.00 0.00 C ATOM 643 SG CYS A 48 -7.278 2.101 6.515 1.00 0.00 S ATOM 0 H CYS A 48 -7.217 3.998 4.676 1.00 0.00 H new ATOM 0 HA CYS A 48 -6.131 4.854 6.983 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.183 2.445 5.382 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.015 2.657 7.114 1.00 0.00 H new ATOM 0 HG CYS A 48 -7.349 1.012 5.808 1.00 0.00 H new ATOM 648 N LEU A 49 -3.628 4.449 4.847 1.00 0.00 N ATOM 649 CA LEU A 49 -2.274 4.893 4.534 1.00 0.00 C ATOM 650 C LEU A 49 -2.232 6.403 4.321 1.00 0.00 C ATOM 651 O LEU A 49 -1.423 7.103 4.930 1.00 0.00 O ATOM 652 CB LEU A 49 -1.757 4.176 3.286 1.00 0.00 C ATOM 653 CG LEU A 49 -0.240 4.182 3.088 1.00 0.00 C ATOM 654 CD1 LEU A 49 0.451 3.471 4.241 1.00 0.00 C ATOM 655 CD2 LEU A 49 0.127 3.534 1.761 1.00 0.00 C ATOM 0 H LEU A 49 -3.990 3.728 4.223 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.632 4.646 5.380 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.095 3.140 3.320 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.219 4.633 2.411 1.00 0.00 H new ATOM 0 HG LEU A 49 0.101 5.217 3.070 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.529 3.485 4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.214 3.979 5.176 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.105 2.439 4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.210 3.547 1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.227 2.503 1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.338 4.087 0.945 1.00 0.00 H new ATOM 667 N ARG A 50 -3.110 6.898 3.455 1.00 0.00 N ATOM 668 CA ARG A 50 -3.174 8.325 3.163 1.00 0.00 C ATOM 669 C ARG A 50 -3.236 9.141 4.451 1.00 0.00 C ATOM 670 O ARG A 50 -2.789 10.288 4.493 1.00 0.00 O ATOM 671 CB ARG A 50 -4.392 8.635 2.291 1.00 0.00 C ATOM 672 CG ARG A 50 -4.694 10.119 2.171 1.00 0.00 C ATOM 673 CD ARG A 50 -5.299 10.457 0.817 1.00 0.00 C ATOM 674 NE ARG A 50 -5.641 11.873 0.708 1.00 0.00 N ATOM 675 CZ ARG A 50 -5.748 12.516 -0.449 1.00 0.00 C ATOM 676 NH1 ARG A 50 -5.542 11.873 -1.590 1.00 0.00 N ATOM 677 NH2 ARG A 50 -6.063 13.805 -0.467 1.00 0.00 N ATOM 0 H ARG A 50 -3.787 6.332 2.943 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.269 8.600 2.622 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.229 8.225 1.295 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.263 8.128 2.706 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -5.382 10.417 2.963 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.777 10.691 2.314 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.594 10.193 0.029 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.194 9.855 0.659 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.807 12.396 1.568 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.301 10.882 -1.581 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.625 12.369 -2.477 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.223 14.303 0.409 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.145 14.298 -1.356 1.00 0.00 H new ATOM 691 N ASP A 51 -3.794 8.544 5.498 1.00 0.00 N ATOM 692 CA ASP A 51 -3.915 9.214 6.787 1.00 0.00 C ATOM 693 C ASP A 51 -2.616 9.106 7.580 1.00 0.00 C ATOM 694 O ASP A 51 -2.266 10.005 8.344 1.00 0.00 O ATOM 695 CB ASP A 51 -5.069 8.616 7.592 1.00 0.00 C ATOM 696 CG ASP A 51 -5.493 9.504 8.746 1.00 0.00 C ATOM 697 OD1 ASP A 51 -4.815 9.476 9.795 1.00 0.00 O ATOM 698 OD2 ASP A 51 -6.500 10.226 8.599 1.00 0.00 O ATOM 0 H ASP A 51 -4.170 7.596 5.479 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.120 10.268 6.602 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.921 8.451 6.932 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.772 7.641 7.978 1.00 0.00 H new ATOM 703 N SER A 52 -1.906 7.998 7.393 1.00 0.00 N ATOM 704 CA SER A 52 -0.648 7.769 8.094 1.00 0.00 C ATOM 705 C SER A 52 0.490 8.545 7.436 1.00 0.00 C ATOM 706 O SER A 52 1.463 8.919 8.092 1.00 0.00 O ATOM 707 CB SER A 52 -0.316 6.276 8.117 1.00 0.00 C ATOM 708 OG SER A 52 -0.977 5.623 9.186 1.00 0.00 O ATOM 0 H SER A 52 -2.180 7.245 6.762 1.00 0.00 H new ATOM 0 HA SER A 52 -0.762 8.124 9.118 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.610 5.820 7.171 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.761 6.141 8.215 1.00 0.00 H new ATOM 0 HG SER A 52 -1.162 4.693 8.937 1.00 0.00 H new ATOM 714 N LEU A 53 0.361 8.782 6.136 1.00 0.00 N ATOM 715 CA LEU A 53 1.377 9.512 5.387 1.00 0.00 C ATOM 716 C LEU A 53 1.601 10.899 5.983 1.00 0.00 C ATOM 717 O LEU A 53 2.726 11.266 6.321 1.00 0.00 O ATOM 718 CB LEU A 53 0.966 9.637 3.918 1.00 0.00 C ATOM 719 CG LEU A 53 2.109 9.679 2.903 1.00 0.00 C ATOM 720 CD1 LEU A 53 2.727 8.300 2.736 1.00 0.00 C ATOM 721 CD2 LEU A 53 1.613 10.209 1.565 1.00 0.00 C ATOM 0 H LEU A 53 -0.438 8.479 5.578 1.00 0.00 H new ATOM 0 HA LEU A 53 2.311 8.953 5.450 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.317 8.797 3.670 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.372 10.543 3.804 1.00 0.00 H new ATOM 0 HG LEU A 53 2.878 10.355 3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.538 8.350 2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.118 7.958 3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.968 7.601 2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.439 10.232 0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.826 9.558 1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.219 11.217 1.696 1.00 0.00 H new ATOM 733 N LYS A 54 0.522 11.664 6.110 1.00 0.00 N ATOM 734 CA LYS A 54 0.599 13.008 6.669 1.00 0.00 C ATOM 735 C LYS A 54 1.082 12.970 8.115 1.00 0.00 C ATOM 736 O LYS A 54 1.984 13.714 8.498 1.00 0.00 O ATOM 737 CB LYS A 54 -0.768 13.692 6.594 1.00 0.00 C ATOM 738 CG LYS A 54 -1.844 12.991 7.405 1.00 0.00 C ATOM 739 CD LYS A 54 -3.188 13.685 7.266 1.00 0.00 C ATOM 740 CE LYS A 54 -4.216 13.108 8.228 1.00 0.00 C ATOM 741 NZ LYS A 54 -4.098 13.703 9.587 1.00 0.00 N ATOM 0 H LYS A 54 -0.416 11.376 5.833 1.00 0.00 H new ATOM 0 HA LYS A 54 1.317 13.579 6.080 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.671 14.719 6.946 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.084 13.741 5.552 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.932 11.956 7.076 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.552 12.968 8.455 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.069 14.752 7.456 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.548 13.582 6.242 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.218 13.287 7.839 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.087 12.028 8.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.815 13.284 10.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.150 13.511 9.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.246 14.731 9.530 1.00 0.00 H new ATOM 755 N ASN A 55 0.477 12.097 8.913 1.00 0.00 N ATOM 756 CA ASN A 55 0.847 11.961 10.318 1.00 0.00 C ATOM 757 C ASN A 55 2.361 11.854 10.473 1.00 0.00 C ATOM 758 O ASN A 55 2.968 12.584 11.256 1.00 0.00 O ATOM 759 CB ASN A 55 0.171 10.731 10.928 1.00 0.00 C ATOM 760 CG ASN A 55 -0.016 10.859 12.427 1.00 0.00 C ATOM 761 OD1 ASN A 55 -0.196 11.959 12.950 1.00 0.00 O ATOM 762 ND2 ASN A 55 0.026 9.731 13.127 1.00 0.00 N ATOM 0 H ASN A 55 -0.271 11.473 8.612 1.00 0.00 H new ATOM 0 HA ASN A 55 0.508 12.852 10.846 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.799 10.581 10.455 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.770 9.846 10.713 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.093 9.755 14.140 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.178 8.841 12.652 1.00 0.00 H new ATOM 769 N ALA A 56 2.964 10.938 9.723 1.00 0.00 N ATOM 770 CA ALA A 56 4.406 10.736 9.775 1.00 0.00 C ATOM 771 C ALA A 56 4.968 10.422 8.393 1.00 0.00 C ATOM 772 O ALA A 56 4.273 9.867 7.542 1.00 0.00 O ATOM 773 CB ALA A 56 4.748 9.621 10.752 1.00 0.00 C ATOM 0 H ALA A 56 2.476 10.324 9.072 1.00 0.00 H new ATOM 0 HA ALA A 56 4.865 11.662 10.122 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.829 9.481 10.781 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.390 9.886 11.747 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.271 8.696 10.430 1.00 0.00 H new ATOM 779 N ASN A 57 6.228 10.782 8.175 1.00 0.00 N ATOM 780 CA ASN A 57 6.882 10.539 6.894 1.00 0.00 C ATOM 781 C ASN A 57 7.466 9.131 6.840 1.00 0.00 C ATOM 782 O ASN A 57 8.403 8.863 6.087 1.00 0.00 O ATOM 783 CB ASN A 57 7.988 11.571 6.659 1.00 0.00 C ATOM 784 CG ASN A 57 8.972 11.637 7.811 1.00 0.00 C ATOM 785 OD1 ASN A 57 9.998 10.796 7.761 1.00 0.00 O flip ATOM 786 ND2 ASN A 57 8.810 12.434 8.735 1.00 0.00 N flip ATOM 0 H ASN A 57 6.817 11.243 8.868 1.00 0.00 H new ATOM 0 HA ASN A 57 6.133 10.633 6.108 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.523 11.324 5.742 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.539 12.553 6.512 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.006 13.062 8.732 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.479 12.466 9.504 1.00 0.00 H new ATOM 793 N THR A 58 6.904 8.232 7.642 1.00 0.00 N ATOM 794 CA THR A 58 7.368 6.851 7.686 1.00 0.00 C ATOM 795 C THR A 58 6.197 5.881 7.799 1.00 0.00 C ATOM 796 O THR A 58 5.062 6.288 8.048 1.00 0.00 O ATOM 797 CB THR A 58 8.328 6.618 8.867 1.00 0.00 C ATOM 798 OG1 THR A 58 7.774 7.172 10.066 1.00 0.00 O ATOM 799 CG2 THR A 58 9.686 7.247 8.593 1.00 0.00 C ATOM 0 H THR A 58 6.127 8.436 8.270 1.00 0.00 H new ATOM 0 HA THR A 58 7.901 6.667 6.753 1.00 0.00 H new ATOM 0 HB THR A 58 8.461 5.543 8.991 1.00 0.00 H new ATOM 0 HG1 THR A 58 8.390 7.018 10.813 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.347 7.069 9.441 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.119 6.803 7.697 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.567 8.320 8.445 1.00 0.00 H new ATOM 807 N CYS A 59 6.480 4.595 7.615 1.00 0.00 N ATOM 808 CA CYS A 59 5.450 3.566 7.697 1.00 0.00 C ATOM 809 C CYS A 59 4.835 3.521 9.093 1.00 0.00 C ATOM 810 O CYS A 59 5.533 3.554 10.107 1.00 0.00 O ATOM 811 CB CYS A 59 6.037 2.199 7.342 1.00 0.00 C ATOM 812 SG CYS A 59 4.806 0.859 7.260 1.00 0.00 S ATOM 0 H CYS A 59 7.414 4.241 7.408 1.00 0.00 H new ATOM 0 HA CYS A 59 4.666 3.814 6.982 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.543 2.272 6.380 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.794 1.938 8.081 1.00 0.00 H new ATOM 0 HG CYS A 59 5.183 -0.023 6.383 1.00 0.00 H new ATOM 817 N PRO A 60 3.498 3.444 9.148 1.00 0.00 N ATOM 818 CA PRO A 60 2.759 3.392 10.413 1.00 0.00 C ATOM 819 C PRO A 60 2.964 2.072 11.150 1.00 0.00 C ATOM 820 O PRO A 60 2.355 1.830 12.193 1.00 0.00 O ATOM 821 CB PRO A 60 1.299 3.540 9.978 1.00 0.00 C ATOM 822 CG PRO A 60 1.269 3.042 8.575 1.00 0.00 C ATOM 823 CD PRO A 60 2.603 3.400 7.979 1.00 0.00 C ATOM 0 HA PRO A 60 3.090 4.162 11.110 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.635 2.960 10.618 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.972 4.578 10.037 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.106 1.965 8.547 1.00 0.00 H new ATOM 0 HG3 PRO A 60 0.455 3.503 8.015 1.00 0.00 H new ATOM 0 HD2 PRO A 60 2.930 2.658 7.250 1.00 0.00 H new ATOM 0 HD3 PRO A 60 2.568 4.360 7.463 1.00 0.00 H new ATOM 831 N THR A 61 3.825 1.221 10.602 1.00 0.00 N ATOM 832 CA THR A 61 4.109 -0.074 11.206 1.00 0.00 C ATOM 833 C THR A 61 5.580 -0.192 11.588 1.00 0.00 C ATOM 834 O THR A 61 5.927 -0.210 12.769 1.00 0.00 O ATOM 835 CB THR A 61 3.743 -1.230 10.257 1.00 0.00 C ATOM 836 OG1 THR A 61 2.343 -1.193 9.957 1.00 0.00 O ATOM 837 CG2 THR A 61 4.099 -2.573 10.876 1.00 0.00 C ATOM 0 H THR A 61 4.338 1.406 9.740 1.00 0.00 H new ATOM 0 HA THR A 61 3.496 -0.144 12.105 1.00 0.00 H new ATOM 0 HB THR A 61 4.315 -1.110 9.337 1.00 0.00 H new ATOM 0 HG1 THR A 61 2.119 -1.930 9.352 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.831 -3.374 10.187 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.170 -2.609 11.076 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.551 -2.700 11.810 1.00 0.00 H new ATOM 845 N CYS A 62 6.443 -0.272 10.580 1.00 0.00 N ATOM 846 CA CYS A 62 7.878 -0.387 10.810 1.00 0.00 C ATOM 847 C CYS A 62 8.508 0.986 11.024 1.00 0.00 C ATOM 848 O CYS A 62 9.544 1.111 11.677 1.00 0.00 O ATOM 849 CB CYS A 62 8.550 -1.089 9.627 1.00 0.00 C ATOM 850 SG CYS A 62 8.116 -0.388 8.003 1.00 0.00 S ATOM 0 H CYS A 62 6.173 -0.259 9.596 1.00 0.00 H new ATOM 0 HA CYS A 62 8.029 -0.981 11.712 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.631 -1.039 9.755 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.276 -2.144 9.641 1.00 0.00 H new ATOM 0 HG CYS A 62 6.832 -0.197 7.942 1.00 0.00 H new ATOM 855 N ARG A 63 7.873 2.014 10.470 1.00 0.00 N ATOM 856 CA ARG A 63 8.371 3.379 10.599 1.00 0.00 C ATOM 857 C ARG A 63 9.725 3.531 9.913 1.00 0.00 C ATOM 858 O ARG A 63 10.610 4.229 10.408 1.00 0.00 O ATOM 859 CB ARG A 63 8.489 3.763 12.075 1.00 0.00 C ATOM 860 CG ARG A 63 7.224 3.501 12.876 1.00 0.00 C ATOM 861 CD ARG A 63 7.100 4.459 14.051 1.00 0.00 C ATOM 862 NE ARG A 63 6.274 3.907 15.122 1.00 0.00 N ATOM 863 CZ ARG A 63 6.735 3.080 16.053 1.00 0.00 C ATOM 864 NH1 ARG A 63 8.008 2.711 16.046 1.00 0.00 N ATOM 865 NH2 ARG A 63 5.921 2.621 16.995 1.00 0.00 N ATOM 0 H ARG A 63 7.013 1.928 9.928 1.00 0.00 H new ATOM 0 HA ARG A 63 7.660 4.046 10.112 1.00 0.00 H new ATOM 0 HB2 ARG A 63 9.313 3.207 12.522 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.742 4.821 12.147 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.354 3.604 12.228 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.230 2.474 13.241 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.093 4.687 14.439 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.668 5.399 13.708 1.00 0.00 H new ATOM 0 HE ARG A 63 5.289 4.171 15.157 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.637 3.062 15.324 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.359 2.076 16.763 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.941 2.903 17.004 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.275 1.986 17.710 1.00 0.00 H new ATOM 879 N LYS A 64 9.881 2.872 8.769 1.00 0.00 N ATOM 880 CA LYS A 64 11.126 2.933 8.013 1.00 0.00 C ATOM 881 C LYS A 64 11.033 3.968 6.896 1.00 0.00 C ATOM 882 O LYS A 64 9.964 4.189 6.328 1.00 0.00 O ATOM 883 CB LYS A 64 11.458 1.560 7.426 1.00 0.00 C ATOM 884 CG LYS A 64 12.898 1.429 6.962 1.00 0.00 C ATOM 885 CD LYS A 64 13.071 0.267 5.999 1.00 0.00 C ATOM 886 CE LYS A 64 12.866 0.703 4.556 1.00 0.00 C ATOM 887 NZ LYS A 64 13.168 -0.394 3.596 1.00 0.00 N ATOM 0 H LYS A 64 9.159 2.289 8.345 1.00 0.00 H new ATOM 0 HA LYS A 64 11.923 3.231 8.695 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.256 0.795 8.176 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.794 1.364 6.584 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.210 2.354 6.477 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.548 1.287 7.826 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.069 -0.157 6.114 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.360 -0.521 6.247 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.836 1.032 4.419 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.505 1.559 4.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.016 -0.056 2.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.158 -0.691 3.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.541 -1.202 3.784 1.00 0.00 H new ATOM 901 N LYS A 65 12.161 4.597 6.584 1.00 0.00 N ATOM 902 CA LYS A 65 12.209 5.606 5.533 1.00 0.00 C ATOM 903 C LYS A 65 11.513 5.109 4.269 1.00 0.00 C ATOM 904 O LYS A 65 12.090 4.351 3.489 1.00 0.00 O ATOM 905 CB LYS A 65 13.660 5.975 5.216 1.00 0.00 C ATOM 906 CG LYS A 65 13.796 7.171 4.291 1.00 0.00 C ATOM 907 CD LYS A 65 13.916 8.469 5.071 1.00 0.00 C ATOM 908 CE LYS A 65 12.561 9.134 5.259 1.00 0.00 C ATOM 909 NZ LYS A 65 12.501 9.923 6.521 1.00 0.00 N ATOM 0 H LYS A 65 13.055 4.425 7.045 1.00 0.00 H new ATOM 0 HA LYS A 65 11.685 6.492 5.892 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.184 6.186 6.148 1.00 0.00 H new ATOM 0 HB3 LYS A 65 14.153 5.116 4.760 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.674 7.044 3.657 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.930 7.221 3.630 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.363 8.269 6.045 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.587 9.149 4.546 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.357 9.788 4.411 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.781 8.373 5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.508 10.103 6.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.959 9.389 7.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.994 10.829 6.388 1.00 0.00 H new ATOM 923 N ILE A 66 10.272 5.541 4.074 1.00 0.00 N ATOM 924 CA ILE A 66 9.500 5.142 2.904 1.00 0.00 C ATOM 925 C ILE A 66 9.199 6.339 2.009 1.00 0.00 C ATOM 926 O ILE A 66 9.526 7.476 2.345 1.00 0.00 O ATOM 927 CB ILE A 66 8.173 4.471 3.308 1.00 0.00 C ATOM 928 CG1 ILE A 66 7.448 5.314 4.358 1.00 0.00 C ATOM 929 CG2 ILE A 66 8.429 3.066 3.833 1.00 0.00 C ATOM 930 CD1 ILE A 66 5.985 4.963 4.511 1.00 0.00 C ATOM 0 H ILE A 66 9.780 6.167 4.711 1.00 0.00 H new ATOM 0 HA ILE A 66 10.109 4.424 2.354 1.00 0.00 H new ATOM 0 HB ILE A 66 7.536 4.398 2.426 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.946 5.188 5.320 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.534 6.367 4.089 1.00 0.00 H new ATOM 0 HG21 ILE A 66 7.482 2.605 4.114 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.907 2.469 3.056 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.081 3.117 4.705 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.536 5.601 5.272 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.473 5.116 3.561 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.891 3.919 4.810 1.00 0.00 H new