USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 377 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 31 CYS SG : rot -120:sc= -0.76 USER MOD Set 1.2: A 33 CYS SG : rot 140:sc= -0.53 USER MOD Set 1.3: A 53 CYS SG : rot 151:sc= 0.756 USER MOD Set 1.4: A 56 CYS SG : rot -66:sc= -1.69! USER MOD Set 2.1: A 14 CYS SG : rot -110:sc= -0.466 USER MOD Set 2.2: A 17 CYS SG : rot -82:sc= 0.803 USER MOD Set 2.3: A 38 CYS SG : rot -137:sc= 0.803 USER MOD Set 2.4: A 41 CYS SG : rot 93:sc= -0.213 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.0348 X(o=-0.035,f=-0.34) USER MOD Single : A 32 THR OG1 : rot 63:sc= 0.239 USER MOD Single : A 35 TYR OH : rot 180:sc= -1.37 USER MOD Single : A 36 GLN : amide:sc= -2.7! K(o=-2.7!,f=-1.4) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.755 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 73:sc= -2.92! USER MOD ----------------------------------------------------------------- ATOM 165 N VAL A 12 -15.886 0.688 -1.079 1.00 0.00 N ATOM 166 CA VAL A 12 -14.434 0.366 -1.184 1.00 0.00 C ATOM 167 C VAL A 12 -14.136 -0.892 -0.366 1.00 0.00 C ATOM 168 O VAL A 12 -14.394 -0.948 0.820 1.00 0.00 O ATOM 169 CB VAL A 12 -13.609 1.535 -0.643 1.00 0.00 C ATOM 170 CG1 VAL A 12 -12.125 1.159 -0.647 1.00 0.00 C ATOM 171 CG2 VAL A 12 -13.823 2.763 -1.530 1.00 0.00 C ATOM 0 HA VAL A 12 -14.173 0.194 -2.228 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.925 1.760 0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.537 1.992 -0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.970 0.283 -0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.810 0.933 -1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.235 3.597 -1.145 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.507 2.536 -2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.879 3.033 -1.529 1.00 0.00 H new ATOM 181 N GLU A 13 -13.598 -1.904 -0.990 1.00 0.00 N ATOM 182 CA GLU A 13 -13.289 -3.157 -0.248 1.00 0.00 C ATOM 183 C GLU A 13 -12.147 -3.899 -0.945 1.00 0.00 C ATOM 184 O GLU A 13 -12.142 -4.046 -2.152 1.00 0.00 O ATOM 185 CB GLU A 13 -14.533 -4.051 -0.221 1.00 0.00 C ATOM 186 CG GLU A 13 -15.106 -4.172 -1.635 1.00 0.00 C ATOM 187 CD GLU A 13 -16.585 -3.782 -1.622 1.00 0.00 C ATOM 188 OE1 GLU A 13 -16.870 -2.630 -1.338 1.00 0.00 O ATOM 189 OE2 GLU A 13 -17.407 -4.641 -1.896 1.00 0.00 O ATOM 0 H GLU A 13 -13.359 -1.916 -1.982 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.992 -2.910 0.771 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.276 -5.038 0.164 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.281 -3.631 0.451 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.555 -3.526 -2.319 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.991 -5.193 -1.999 1.00 0.00 H new ATOM 196 N CYS A 14 -11.183 -4.366 -0.190 1.00 0.00 N ATOM 197 CA CYS A 14 -10.035 -5.108 -0.791 1.00 0.00 C ATOM 198 C CYS A 14 -10.538 -5.975 -1.950 1.00 0.00 C ATOM 199 O CYS A 14 -11.156 -6.996 -1.729 1.00 0.00 O ATOM 200 CB CYS A 14 -9.410 -6.010 0.278 1.00 0.00 C ATOM 201 SG CYS A 14 -7.685 -6.360 -0.149 1.00 0.00 S ATOM 0 H CYS A 14 -11.143 -4.263 0.824 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.293 -4.400 -1.161 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.462 -5.525 1.253 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.971 -6.941 0.355 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.568 -7.608 -0.493 1.00 0.00 H new ATOM 206 N PRO A 15 -10.267 -5.539 -3.155 1.00 0.00 N ATOM 207 CA PRO A 15 -10.690 -6.258 -4.368 1.00 0.00 C ATOM 208 C PRO A 15 -9.771 -7.455 -4.630 1.00 0.00 C ATOM 209 O PRO A 15 -9.871 -8.116 -5.645 1.00 0.00 O ATOM 210 CB PRO A 15 -10.555 -5.207 -5.474 1.00 0.00 C ATOM 211 CG PRO A 15 -9.547 -4.154 -4.953 1.00 0.00 C ATOM 212 CD PRO A 15 -9.512 -4.297 -3.421 1.00 0.00 C ATOM 0 HA PRO A 15 -11.699 -6.665 -4.296 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.200 -5.660 -6.400 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.519 -4.747 -5.693 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.558 -4.320 -5.380 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.854 -3.149 -5.241 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.489 -4.366 -3.051 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.971 -3.439 -2.930 1.00 0.00 H new ATOM 220 N LEU A 16 -8.877 -7.737 -3.723 1.00 0.00 N ATOM 221 CA LEU A 16 -7.954 -8.888 -3.921 1.00 0.00 C ATOM 222 C LEU A 16 -8.336 -10.013 -2.954 1.00 0.00 C ATOM 223 O LEU A 16 -7.978 -11.158 -3.148 1.00 0.00 O ATOM 224 CB LEU A 16 -6.501 -8.461 -3.651 1.00 0.00 C ATOM 225 CG LEU A 16 -6.314 -6.953 -3.880 1.00 0.00 C ATOM 226 CD1 LEU A 16 -5.323 -6.407 -2.851 1.00 0.00 C ATOM 227 CD2 LEU A 16 -5.760 -6.710 -5.288 1.00 0.00 C ATOM 0 H LEU A 16 -8.746 -7.220 -2.854 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.036 -9.235 -4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.230 -8.712 -2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.828 -9.017 -4.304 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.275 -6.449 -3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.187 -5.337 -3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.710 -6.579 -1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.365 -6.915 -2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.628 -5.640 -5.448 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.799 -7.213 -5.393 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.458 -7.104 -6.027 1.00 0.00 H new ATOM 239 N CYS A 17 -9.061 -9.699 -1.911 1.00 0.00 N ATOM 240 CA CYS A 17 -9.462 -10.755 -0.937 1.00 0.00 C ATOM 241 C CYS A 17 -10.887 -10.485 -0.446 1.00 0.00 C ATOM 242 O CYS A 17 -11.357 -11.095 0.494 1.00 0.00 O ATOM 243 CB CYS A 17 -8.483 -10.756 0.252 1.00 0.00 C ATOM 244 SG CYS A 17 -8.946 -9.482 1.462 1.00 0.00 S ATOM 0 H CYS A 17 -9.391 -8.759 -1.693 1.00 0.00 H new ATOM 0 HA CYS A 17 -9.433 -11.731 -1.422 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.483 -11.736 0.729 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.469 -10.575 -0.105 1.00 0.00 H new ATOM 0 HG CYS A 17 -8.489 -8.328 1.074 1.00 0.00 H new ATOM 249 N MET A 18 -11.572 -9.568 -1.068 1.00 0.00 N ATOM 250 CA MET A 18 -12.959 -9.248 -0.633 1.00 0.00 C ATOM 251 C MET A 18 -12.944 -8.838 0.844 1.00 0.00 C ATOM 252 O MET A 18 -13.086 -9.659 1.728 1.00 0.00 O ATOM 253 CB MET A 18 -13.851 -10.478 -0.817 1.00 0.00 C ATOM 254 CG MET A 18 -15.212 -10.040 -1.359 1.00 0.00 C ATOM 255 SD MET A 18 -15.951 -11.397 -2.302 1.00 0.00 S ATOM 256 CE MET A 18 -17.397 -11.644 -1.241 1.00 0.00 C ATOM 0 H MET A 18 -11.230 -9.025 -1.861 1.00 0.00 H new ATOM 0 HA MET A 18 -13.351 -8.428 -1.235 1.00 0.00 H new ATOM 0 HB2 MET A 18 -13.382 -11.182 -1.505 1.00 0.00 H new ATOM 0 HB3 MET A 18 -13.975 -10.997 0.134 1.00 0.00 H new ATOM 0 HG2 MET A 18 -15.868 -9.755 -0.537 1.00 0.00 H new ATOM 0 HG3 MET A 18 -15.097 -9.162 -1.994 1.00 0.00 H new ATOM 0 HE1 MET A 18 -18.009 -12.452 -1.642 1.00 0.00 H new ATOM 0 HE2 MET A 18 -17.069 -11.902 -0.234 1.00 0.00 H new ATOM 0 HE3 MET A 18 -17.985 -10.727 -1.208 1.00 0.00 H new ATOM 266 N GLU A 19 -12.770 -7.572 1.114 1.00 0.00 N ATOM 267 CA GLU A 19 -12.740 -7.105 2.530 1.00 0.00 C ATOM 268 C GLU A 19 -13.251 -5.660 2.593 1.00 0.00 C ATOM 269 O GLU A 19 -12.928 -4.859 1.741 1.00 0.00 O ATOM 270 CB GLU A 19 -11.297 -7.165 3.044 1.00 0.00 C ATOM 271 CG GLU A 19 -11.243 -6.703 4.503 1.00 0.00 C ATOM 272 CD GLU A 19 -11.572 -7.879 5.424 1.00 0.00 C ATOM 273 OE1 GLU A 19 -11.350 -9.007 5.015 1.00 0.00 O ATOM 274 OE2 GLU A 19 -12.041 -7.632 6.523 1.00 0.00 O ATOM 0 H GLU A 19 -12.647 -6.840 0.414 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.374 -7.741 3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.914 -8.182 2.961 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.656 -6.533 2.429 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.252 -6.312 4.735 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.952 -5.891 4.665 1.00 0.00 H new ATOM 281 N PRO A 20 -14.032 -5.366 3.599 1.00 0.00 N ATOM 282 CA PRO A 20 -14.599 -4.018 3.789 1.00 0.00 C ATOM 283 C PRO A 20 -13.527 -3.051 4.306 1.00 0.00 C ATOM 284 O PRO A 20 -12.989 -3.221 5.382 1.00 0.00 O ATOM 285 CB PRO A 20 -15.703 -4.233 4.829 1.00 0.00 C ATOM 286 CG PRO A 20 -15.346 -5.538 5.578 1.00 0.00 C ATOM 287 CD PRO A 20 -14.423 -6.340 4.641 1.00 0.00 C ATOM 0 HA PRO A 20 -14.976 -3.577 2.866 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -15.756 -3.391 5.519 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -16.678 -4.314 4.349 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.846 -5.320 6.522 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.245 -6.106 5.817 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.553 -6.726 5.173 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -14.940 -7.198 4.211 1.00 0.00 H new ATOM 295 N LEU A 21 -13.216 -2.036 3.541 1.00 0.00 N ATOM 296 CA LEU A 21 -12.180 -1.055 3.978 1.00 0.00 C ATOM 297 C LEU A 21 -12.845 0.067 4.778 1.00 0.00 C ATOM 298 O LEU A 21 -13.711 0.762 4.286 1.00 0.00 O ATOM 299 CB LEU A 21 -11.495 -0.455 2.746 1.00 0.00 C ATOM 300 CG LEU A 21 -10.666 -1.531 2.042 1.00 0.00 C ATOM 301 CD1 LEU A 21 -10.590 -1.220 0.545 1.00 0.00 C ATOM 302 CD2 LEU A 21 -9.252 -1.548 2.630 1.00 0.00 C ATOM 0 H LEU A 21 -13.636 -1.845 2.631 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.442 -1.561 4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.242 -0.053 2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.854 0.375 3.042 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.135 -2.504 2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.999 -1.987 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.596 -1.204 0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.121 -0.247 0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.659 -2.314 2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.785 -0.574 2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.304 -1.768 3.696 1.00 0.00 H new ATOM 314 N GLU A 22 -12.444 0.257 6.008 1.00 0.00 N ATOM 315 CA GLU A 22 -13.056 1.342 6.828 1.00 0.00 C ATOM 316 C GLU A 22 -12.690 2.700 6.224 1.00 0.00 C ATOM 317 O GLU A 22 -12.338 2.797 5.064 1.00 0.00 O ATOM 318 CB GLU A 22 -12.529 1.257 8.264 1.00 0.00 C ATOM 319 CG GLU A 22 -12.881 -0.109 8.855 1.00 0.00 C ATOM 320 CD GLU A 22 -14.053 0.041 9.825 1.00 0.00 C ATOM 321 OE1 GLU A 22 -13.959 0.874 10.713 1.00 0.00 O ATOM 322 OE2 GLU A 22 -15.026 -0.677 9.665 1.00 0.00 O ATOM 0 H GLU A 22 -11.722 -0.290 6.478 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.140 1.228 6.836 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.449 1.403 8.276 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.965 2.051 8.870 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.142 -0.805 8.058 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.018 -0.526 9.373 1.00 0.00 H new ATOM 329 N ILE A 23 -12.772 3.749 6.996 1.00 0.00 N ATOM 330 CA ILE A 23 -12.430 5.098 6.461 1.00 0.00 C ATOM 331 C ILE A 23 -10.906 5.263 6.426 1.00 0.00 C ATOM 332 O ILE A 23 -10.342 5.686 5.436 1.00 0.00 O ATOM 333 CB ILE A 23 -13.052 6.174 7.361 1.00 0.00 C ATOM 334 CG1 ILE A 23 -14.538 6.320 7.027 1.00 0.00 C ATOM 335 CG2 ILE A 23 -12.352 7.518 7.131 1.00 0.00 C ATOM 336 CD1 ILE A 23 -15.282 5.042 7.419 1.00 0.00 C ATOM 0 H ILE A 23 -13.061 3.731 7.974 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.824 5.203 5.450 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.933 5.878 8.403 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -14.958 7.174 7.558 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -14.664 6.514 5.962 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.800 8.276 7.774 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.292 7.421 7.367 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.466 7.814 6.088 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -16.340 5.149 7.180 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -14.869 4.197 6.868 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -15.168 4.868 8.489 1.00 0.00 H new ATOM 348 N ASP A 24 -10.237 4.938 7.498 1.00 0.00 N ATOM 349 CA ASP A 24 -8.755 5.085 7.525 1.00 0.00 C ATOM 350 C ASP A 24 -8.104 3.904 6.800 1.00 0.00 C ATOM 351 O ASP A 24 -6.918 3.904 6.537 1.00 0.00 O ATOM 352 CB ASP A 24 -8.272 5.115 8.977 1.00 0.00 C ATOM 353 CG ASP A 24 -8.143 6.565 9.442 1.00 0.00 C ATOM 354 OD1 ASP A 24 -8.264 7.449 8.609 1.00 0.00 O ATOM 355 OD2 ASP A 24 -7.925 6.770 10.625 1.00 0.00 O ATOM 0 H ASP A 24 -10.653 4.577 8.356 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.477 6.013 7.026 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.973 4.578 9.616 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.311 4.608 9.062 1.00 0.00 H new ATOM 360 N ASP A 25 -8.866 2.895 6.478 1.00 0.00 N ATOM 361 CA ASP A 25 -8.283 1.719 5.774 1.00 0.00 C ATOM 362 C ASP A 25 -8.328 1.951 4.262 1.00 0.00 C ATOM 363 O ASP A 25 -7.824 1.161 3.489 1.00 0.00 O ATOM 364 CB ASP A 25 -9.088 0.463 6.118 1.00 0.00 C ATOM 365 CG ASP A 25 -9.014 0.205 7.624 1.00 0.00 C ATOM 366 OD1 ASP A 25 -8.349 0.970 8.304 1.00 0.00 O ATOM 367 OD2 ASP A 25 -9.623 -0.753 8.071 1.00 0.00 O ATOM 0 H ASP A 25 -9.866 2.834 6.672 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.249 1.587 6.092 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.126 0.588 5.811 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.695 -0.394 5.572 1.00 0.00 H new ATOM 372 N ILE A 26 -8.930 3.027 3.832 1.00 0.00 N ATOM 373 CA ILE A 26 -9.007 3.302 2.370 1.00 0.00 C ATOM 374 C ILE A 26 -7.707 3.958 1.899 1.00 0.00 C ATOM 375 O ILE A 26 -7.211 3.671 0.828 1.00 0.00 O ATOM 376 CB ILE A 26 -10.179 4.243 2.089 1.00 0.00 C ATOM 377 CG1 ILE A 26 -11.496 3.514 2.368 1.00 0.00 C ATOM 378 CG2 ILE A 26 -10.140 4.680 0.623 1.00 0.00 C ATOM 379 CD1 ILE A 26 -12.569 4.530 2.768 1.00 0.00 C ATOM 0 H ILE A 26 -9.371 3.726 4.430 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.154 2.364 1.835 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.105 5.119 2.733 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.814 2.964 1.482 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.357 2.783 3.165 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.975 5.351 0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.202 5.198 0.422 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.215 3.803 -0.020 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.506 4.010 2.966 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.251 5.061 3.666 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.715 5.244 1.957 1.00 0.00 H new ATOM 391 N ASN A 27 -7.153 4.838 2.686 1.00 0.00 N ATOM 392 CA ASN A 27 -5.889 5.512 2.274 1.00 0.00 C ATOM 393 C ASN A 27 -4.688 4.701 2.763 1.00 0.00 C ATOM 394 O ASN A 27 -3.591 5.210 2.875 1.00 0.00 O ATOM 395 CB ASN A 27 -5.836 6.915 2.884 1.00 0.00 C ATOM 396 CG ASN A 27 -7.229 7.548 2.833 1.00 0.00 C ATOM 397 OD1 ASN A 27 -7.923 7.439 1.841 1.00 0.00 O ATOM 398 ND2 ASN A 27 -7.669 8.210 3.867 1.00 0.00 N ATOM 0 H ASN A 27 -7.520 5.120 3.595 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.858 5.584 1.187 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.487 6.862 3.915 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.124 7.534 2.338 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.595 8.636 3.843 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.087 8.302 4.699 1.00 0.00 H new ATOM 405 N PHE A 28 -4.880 3.443 3.055 1.00 0.00 N ATOM 406 CA PHE A 28 -3.739 2.613 3.531 1.00 0.00 C ATOM 407 C PHE A 28 -3.290 1.670 2.411 1.00 0.00 C ATOM 408 O PHE A 28 -3.812 0.584 2.254 1.00 0.00 O ATOM 409 CB PHE A 28 -4.169 1.797 4.762 1.00 0.00 C ATOM 410 CG PHE A 28 -3.251 0.605 4.939 1.00 0.00 C ATOM 411 CD1 PHE A 28 -1.887 0.717 4.633 1.00 0.00 C ATOM 412 CD2 PHE A 28 -3.764 -0.614 5.397 1.00 0.00 C ATOM 413 CE1 PHE A 28 -1.041 -0.389 4.784 1.00 0.00 C ATOM 414 CE2 PHE A 28 -2.918 -1.719 5.550 1.00 0.00 C ATOM 415 CZ PHE A 28 -1.556 -1.605 5.243 1.00 0.00 C ATOM 0 H PHE A 28 -5.774 2.957 2.985 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.909 3.263 3.808 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.140 2.424 5.653 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.199 1.459 4.643 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.489 1.657 4.281 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.814 -0.702 5.633 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.009 -0.302 4.546 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.315 -2.659 5.904 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.903 -2.457 5.361 1.00 0.00 H new ATOM 425 N PHE A 29 -2.310 2.065 1.651 1.00 0.00 N ATOM 426 CA PHE A 29 -1.809 1.180 0.565 1.00 0.00 C ATOM 427 C PHE A 29 -0.342 0.869 0.831 1.00 0.00 C ATOM 428 O PHE A 29 0.370 1.680 1.386 1.00 0.00 O ATOM 429 CB PHE A 29 -1.925 1.875 -0.794 1.00 0.00 C ATOM 430 CG PHE A 29 -1.847 3.367 -0.611 1.00 0.00 C ATOM 431 CD1 PHE A 29 -0.656 3.962 -0.171 1.00 0.00 C ATOM 432 CD2 PHE A 29 -2.970 4.157 -0.878 1.00 0.00 C ATOM 433 CE1 PHE A 29 -0.594 5.350 0.000 1.00 0.00 C ATOM 434 CE2 PHE A 29 -2.908 5.542 -0.708 1.00 0.00 C ATOM 435 CZ PHE A 29 -1.720 6.140 -0.269 1.00 0.00 C ATOM 0 H PHE A 29 -1.834 2.963 1.734 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.404 0.267 0.547 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.126 1.538 -1.455 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.868 1.607 -1.271 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.211 3.351 0.035 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.886 3.696 -1.216 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.321 5.812 0.339 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.775 6.151 -0.915 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.672 7.211 -0.138 1.00 0.00 H new ATOM 445 N PRO A 30 0.072 -0.291 0.414 1.00 0.00 N ATOM 446 CA PRO A 30 1.460 -0.724 0.580 1.00 0.00 C ATOM 447 C PRO A 30 2.335 -0.016 -0.452 1.00 0.00 C ATOM 448 O PRO A 30 3.541 -0.016 -0.362 1.00 0.00 O ATOM 449 CB PRO A 30 1.400 -2.236 0.343 1.00 0.00 C ATOM 450 CG PRO A 30 0.112 -2.498 -0.473 1.00 0.00 C ATOM 451 CD PRO A 30 -0.797 -1.272 -0.267 1.00 0.00 C ATOM 0 HA PRO A 30 1.888 -0.489 1.554 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.281 -2.579 -0.200 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.378 -2.777 1.289 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.344 -2.635 -1.529 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.383 -3.408 -0.134 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.167 -0.886 -1.217 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.669 -1.519 0.338 1.00 0.00 H new ATOM 459 N CYS A 31 1.724 0.606 -1.426 1.00 0.00 N ATOM 460 CA CYS A 31 2.506 1.334 -2.463 1.00 0.00 C ATOM 461 C CYS A 31 1.783 2.640 -2.809 1.00 0.00 C ATOM 462 O CYS A 31 0.579 2.744 -2.682 1.00 0.00 O ATOM 463 CB CYS A 31 2.625 0.465 -3.714 1.00 0.00 C ATOM 464 SG CYS A 31 3.493 1.384 -5.008 1.00 0.00 S ATOM 0 H CYS A 31 0.712 0.640 -1.547 1.00 0.00 H new ATOM 0 HA CYS A 31 3.504 1.557 -2.085 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.164 -0.453 -3.482 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.634 0.173 -4.063 1.00 0.00 H new ATOM 0 HG CYS A 31 2.723 1.500 -6.049 1.00 0.00 H new ATOM 469 N THR A 32 2.506 3.640 -3.234 1.00 0.00 N ATOM 470 CA THR A 32 1.854 4.938 -3.574 1.00 0.00 C ATOM 471 C THR A 32 1.451 4.956 -5.052 1.00 0.00 C ATOM 472 O THR A 32 1.776 5.875 -5.779 1.00 0.00 O ATOM 473 CB THR A 32 2.828 6.085 -3.295 1.00 0.00 C ATOM 474 OG1 THR A 32 3.958 5.961 -4.149 1.00 0.00 O ATOM 475 CG2 THR A 32 3.282 6.030 -1.836 1.00 0.00 C ATOM 0 H THR A 32 3.518 3.615 -3.361 1.00 0.00 H new ATOM 0 HA THR A 32 0.960 5.058 -2.962 1.00 0.00 H new ATOM 0 HB THR A 32 2.331 7.037 -3.482 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.672 6.038 -5.083 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.976 6.848 -1.640 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.415 6.124 -1.182 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.779 5.079 -1.645 1.00 0.00 H new ATOM 483 N CYS A 33 0.737 3.960 -5.504 1.00 0.00 N ATOM 484 CA CYS A 33 0.310 3.942 -6.933 1.00 0.00 C ATOM 485 C CYS A 33 -1.190 3.647 -7.011 1.00 0.00 C ATOM 486 O CYS A 33 -1.693 3.201 -8.024 1.00 0.00 O ATOM 487 CB CYS A 33 1.092 2.869 -7.700 1.00 0.00 C ATOM 488 SG CYS A 33 0.515 1.220 -7.225 1.00 0.00 S ATOM 0 H CYS A 33 0.432 3.161 -4.948 1.00 0.00 H new ATOM 0 HA CYS A 33 0.513 4.914 -7.382 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.964 3.012 -8.773 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.157 2.965 -7.490 1.00 0.00 H new ATOM 0 HG CYS A 33 0.458 0.460 -8.278 1.00 0.00 H new ATOM 493 N GLY A 34 -1.907 3.896 -5.949 1.00 0.00 N ATOM 494 CA GLY A 34 -3.375 3.636 -5.960 1.00 0.00 C ATOM 495 C GLY A 34 -3.652 2.211 -5.480 1.00 0.00 C ATOM 496 O GLY A 34 -4.391 1.994 -4.540 1.00 0.00 O ATOM 0 H GLY A 34 -1.539 4.269 -5.074 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.885 4.352 -5.316 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.771 3.774 -6.966 1.00 0.00 H new ATOM 500 N TYR A 35 -3.068 1.237 -6.121 1.00 0.00 N ATOM 501 CA TYR A 35 -3.299 -0.177 -5.709 1.00 0.00 C ATOM 502 C TYR A 35 -3.251 -0.284 -4.181 1.00 0.00 C ATOM 503 O TYR A 35 -2.198 -0.437 -3.592 1.00 0.00 O ATOM 504 CB TYR A 35 -2.213 -1.064 -6.332 1.00 0.00 C ATOM 505 CG TYR A 35 -2.156 -2.398 -5.619 1.00 0.00 C ATOM 506 CD1 TYR A 35 -3.295 -3.214 -5.553 1.00 0.00 C ATOM 507 CD2 TYR A 35 -0.961 -2.817 -5.024 1.00 0.00 C ATOM 508 CE1 TYR A 35 -3.233 -4.446 -4.892 1.00 0.00 C ATOM 509 CE2 TYR A 35 -0.901 -4.050 -4.363 1.00 0.00 C ATOM 510 CZ TYR A 35 -2.037 -4.864 -4.298 1.00 0.00 C ATOM 511 OH TYR A 35 -1.978 -6.079 -3.648 1.00 0.00 O ATOM 0 H TYR A 35 -2.439 1.359 -6.915 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.279 -0.506 -6.054 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.422 -1.218 -7.391 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.245 -0.567 -6.267 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.218 -2.892 -6.012 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.084 -2.189 -5.075 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.109 -5.075 -4.840 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.022 -4.372 -3.904 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.075 -6.217 -3.293 1.00 0.00 H new ATOM 521 N GLN A 36 -4.384 -0.215 -3.536 1.00 0.00 N ATOM 522 CA GLN A 36 -4.405 -0.322 -2.049 1.00 0.00 C ATOM 523 C GLN A 36 -4.953 -1.692 -1.649 1.00 0.00 C ATOM 524 O GLN A 36 -5.733 -2.293 -2.363 1.00 0.00 O ATOM 525 CB GLN A 36 -5.295 0.775 -1.452 1.00 0.00 C ATOM 526 CG GLN A 36 -6.410 1.138 -2.433 1.00 0.00 C ATOM 527 CD GLN A 36 -7.616 1.669 -1.656 1.00 0.00 C ATOM 528 OE1 GLN A 36 -8.456 0.907 -1.222 1.00 0.00 O ATOM 529 NE2 GLN A 36 -7.736 2.953 -1.461 1.00 0.00 N ATOM 0 H GLN A 36 -5.296 -0.089 -3.975 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.390 -0.202 -1.669 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.725 0.433 -0.511 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.696 1.658 -1.227 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.058 1.890 -3.139 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.696 0.263 -3.016 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.030 3.592 -1.826 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.536 3.318 -0.944 1.00 0.00 H new ATOM 538 N ILE A 37 -4.554 -2.192 -0.512 1.00 0.00 N ATOM 539 CA ILE A 37 -5.054 -3.522 -0.068 1.00 0.00 C ATOM 540 C ILE A 37 -5.515 -3.434 1.388 1.00 0.00 C ATOM 541 O ILE A 37 -5.452 -2.391 2.006 1.00 0.00 O ATOM 542 CB ILE A 37 -3.937 -4.558 -0.192 1.00 0.00 C ATOM 543 CG1 ILE A 37 -2.775 -4.175 0.726 1.00 0.00 C ATOM 544 CG2 ILE A 37 -3.444 -4.602 -1.637 1.00 0.00 C ATOM 545 CD1 ILE A 37 -1.713 -5.274 0.685 1.00 0.00 C ATOM 0 H ILE A 37 -3.903 -1.737 0.128 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.893 -3.822 -0.696 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.320 -5.537 0.096 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.344 -3.225 0.409 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.133 -4.038 1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.647 -5.340 -1.727 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.269 -4.876 -2.295 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.063 -3.621 -1.922 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.884 -5.003 1.339 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.149 -6.214 1.023 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.348 -5.389 -0.336 1.00 0.00 H new ATOM 557 N CYS A 38 -5.982 -4.521 1.936 1.00 0.00 N ATOM 558 CA CYS A 38 -6.453 -4.500 3.348 1.00 0.00 C ATOM 559 C CYS A 38 -5.292 -4.856 4.285 1.00 0.00 C ATOM 560 O CYS A 38 -4.152 -4.939 3.872 1.00 0.00 O ATOM 561 CB CYS A 38 -7.596 -5.510 3.515 1.00 0.00 C ATOM 562 SG CYS A 38 -6.938 -7.196 3.529 1.00 0.00 S ATOM 0 H CYS A 38 -6.058 -5.423 1.466 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.815 -3.503 3.600 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.133 -5.313 4.443 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.313 -5.398 2.702 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.696 -7.964 2.804 1.00 0.00 H new ATOM 567 N ARG A 39 -5.573 -5.066 5.543 1.00 0.00 N ATOM 568 CA ARG A 39 -4.487 -5.415 6.505 1.00 0.00 C ATOM 569 C ARG A 39 -4.201 -6.916 6.425 1.00 0.00 C ATOM 570 O ARG A 39 -3.070 -7.350 6.514 1.00 0.00 O ATOM 571 CB ARG A 39 -4.933 -5.057 7.924 1.00 0.00 C ATOM 572 CG ARG A 39 -3.993 -4.001 8.507 1.00 0.00 C ATOM 573 CD ARG A 39 -4.795 -3.016 9.362 1.00 0.00 C ATOM 574 NE ARG A 39 -5.080 -3.630 10.689 1.00 0.00 N ATOM 575 CZ ARG A 39 -4.993 -2.908 11.774 1.00 0.00 C ATOM 576 NH1 ARG A 39 -3.895 -2.921 12.479 1.00 0.00 N ATOM 577 NH2 ARG A 39 -6.004 -2.176 12.155 1.00 0.00 N ATOM 0 H ARG A 39 -6.508 -5.011 5.947 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.584 -4.858 6.255 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.956 -4.680 7.910 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.930 -5.948 8.552 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.222 -4.479 9.112 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.483 -3.470 7.703 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.235 -2.090 9.490 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.728 -2.758 8.861 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.343 -4.614 10.750 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.105 -3.495 12.183 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.826 -2.357 13.326 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.863 -2.167 11.605 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.935 -1.613 13.002 1.00 0.00 H new ATOM 591 N PHE A 40 -5.222 -7.711 6.258 1.00 0.00 N ATOM 592 CA PHE A 40 -5.020 -9.185 6.172 1.00 0.00 C ATOM 593 C PHE A 40 -4.188 -9.513 4.928 1.00 0.00 C ATOM 594 O PHE A 40 -3.604 -10.573 4.821 1.00 0.00 O ATOM 595 CB PHE A 40 -6.384 -9.870 6.071 1.00 0.00 C ATOM 596 CG PHE A 40 -6.270 -11.305 6.524 1.00 0.00 C ATOM 597 CD1 PHE A 40 -6.112 -11.600 7.883 1.00 0.00 C ATOM 598 CD2 PHE A 40 -6.328 -12.341 5.585 1.00 0.00 C ATOM 599 CE1 PHE A 40 -6.011 -12.932 8.303 1.00 0.00 C ATOM 600 CE2 PHE A 40 -6.226 -13.674 6.005 1.00 0.00 C ATOM 601 CZ PHE A 40 -6.069 -13.968 7.364 1.00 0.00 C ATOM 0 H PHE A 40 -6.191 -7.402 6.177 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.496 -9.539 7.060 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -7.113 -9.342 6.686 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.746 -9.831 5.043 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.068 -10.800 8.608 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -6.451 -12.113 4.537 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.888 -13.160 9.352 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -6.269 -14.474 5.280 1.00 0.00 H new ATOM 0 HZ PHE A 40 -5.993 -14.995 7.688 1.00 0.00 H new ATOM 611 N CYS A 41 -4.131 -8.607 3.992 1.00 0.00 N ATOM 612 CA CYS A 41 -3.339 -8.852 2.754 1.00 0.00 C ATOM 613 C CYS A 41 -1.915 -8.330 2.955 1.00 0.00 C ATOM 614 O CYS A 41 -0.952 -8.941 2.533 1.00 0.00 O ATOM 615 CB CYS A 41 -3.993 -8.113 1.581 1.00 0.00 C ATOM 616 SG CYS A 41 -5.271 -9.158 0.835 1.00 0.00 S ATOM 0 H CYS A 41 -4.601 -7.703 4.031 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.309 -9.921 2.541 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.432 -7.177 1.928 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -3.240 -7.855 0.836 1.00 0.00 H new ATOM 0 HG CYS A 41 -6.421 -8.894 1.381 1.00 0.00 H new ATOM 621 N TRP A 42 -1.778 -7.202 3.595 1.00 0.00 N ATOM 622 CA TRP A 42 -0.424 -6.627 3.831 1.00 0.00 C ATOM 623 C TRP A 42 0.296 -7.439 4.909 1.00 0.00 C ATOM 624 O TRP A 42 1.473 -7.260 5.155 1.00 0.00 O ATOM 625 CB TRP A 42 -0.571 -5.176 4.293 1.00 0.00 C ATOM 626 CG TRP A 42 0.771 -4.599 4.609 1.00 0.00 C ATOM 627 CD1 TRP A 42 1.620 -4.065 3.703 1.00 0.00 C ATOM 628 CD2 TRP A 42 1.427 -4.483 5.904 1.00 0.00 C ATOM 629 NE1 TRP A 42 2.755 -3.622 4.361 1.00 0.00 N ATOM 630 CE2 TRP A 42 2.684 -3.859 5.719 1.00 0.00 C ATOM 631 CE3 TRP A 42 1.056 -4.854 7.208 1.00 0.00 C ATOM 632 CZ2 TRP A 42 3.540 -3.611 6.791 1.00 0.00 C ATOM 633 CZ3 TRP A 42 1.917 -4.607 8.289 1.00 0.00 C ATOM 634 CH2 TRP A 42 3.157 -3.986 8.082 1.00 0.00 C ATOM 0 H TRP A 42 -2.551 -6.650 3.967 1.00 0.00 H new ATOM 0 HA TRP A 42 0.157 -6.661 2.909 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -1.055 -4.586 3.515 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.212 -5.130 5.173 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.442 -3.995 2.640 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.547 -3.175 3.899 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.103 -5.332 7.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.494 -3.132 6.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.622 -4.897 9.287 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.815 -3.798 8.918 1.00 0.00 H new ATOM 645 N HIS A 43 -0.403 -8.333 5.555 1.00 0.00 N ATOM 646 CA HIS A 43 0.238 -9.157 6.617 1.00 0.00 C ATOM 647 C HIS A 43 0.943 -10.359 5.981 1.00 0.00 C ATOM 648 O HIS A 43 1.543 -11.167 6.662 1.00 0.00 O ATOM 649 CB HIS A 43 -0.835 -9.654 7.589 1.00 0.00 C ATOM 650 CG HIS A 43 -0.563 -9.107 8.964 1.00 0.00 C ATOM 651 ND1 HIS A 43 0.056 -9.860 9.950 1.00 0.00 N ATOM 652 CD2 HIS A 43 -0.821 -7.884 9.533 1.00 0.00 C ATOM 653 CE1 HIS A 43 0.149 -9.089 11.050 1.00 0.00 C ATOM 654 NE2 HIS A 43 -0.372 -7.874 10.850 1.00 0.00 N ATOM 0 H HIS A 43 -1.391 -8.528 5.392 1.00 0.00 H new ATOM 0 HA HIS A 43 0.968 -8.552 7.154 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.822 -9.338 7.250 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.840 -10.744 7.615 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -1.300 -7.055 9.034 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.591 -9.413 11.981 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.428 -7.106 11.519 1.00 0.00 H new ATOM 662 N ARG A 44 0.875 -10.486 4.682 1.00 0.00 N ATOM 663 CA ARG A 44 1.542 -11.641 4.015 1.00 0.00 C ATOM 664 C ARG A 44 2.580 -11.135 3.008 1.00 0.00 C ATOM 665 O ARG A 44 3.672 -11.659 2.915 1.00 0.00 O ATOM 666 CB ARG A 44 0.493 -12.483 3.284 1.00 0.00 C ATOM 667 CG ARG A 44 -0.722 -12.682 4.191 1.00 0.00 C ATOM 668 CD ARG A 44 -0.363 -13.649 5.319 1.00 0.00 C ATOM 669 NE ARG A 44 0.228 -14.887 4.740 1.00 0.00 N ATOM 670 CZ ARG A 44 -0.512 -15.950 4.586 1.00 0.00 C ATOM 671 NH1 ARG A 44 -0.894 -16.310 3.392 1.00 0.00 N ATOM 672 NH2 ARG A 44 -0.873 -16.650 5.627 1.00 0.00 N ATOM 0 H ARG A 44 0.389 -9.843 4.057 1.00 0.00 H new ATOM 0 HA ARG A 44 2.041 -12.250 4.769 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.193 -11.988 2.360 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.915 -13.449 3.006 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.040 -11.725 4.605 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.560 -13.074 3.614 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.345 -13.181 6.003 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.252 -13.894 5.899 1.00 0.00 H new ATOM 0 HE ARG A 44 1.210 -14.904 4.464 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.614 -15.760 2.580 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.473 -17.141 3.271 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.576 -16.366 6.561 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.452 -17.481 5.507 1.00 0.00 H new ATOM 686 N ILE A 45 2.247 -10.126 2.249 1.00 0.00 N ATOM 687 CA ILE A 45 3.218 -9.597 1.246 1.00 0.00 C ATOM 688 C ILE A 45 4.440 -9.021 1.963 1.00 0.00 C ATOM 689 O ILE A 45 5.568 -9.284 1.594 1.00 0.00 O ATOM 690 CB ILE A 45 2.553 -8.496 0.417 1.00 0.00 C ATOM 691 CG1 ILE A 45 1.420 -9.100 -0.418 1.00 0.00 C ATOM 692 CG2 ILE A 45 3.588 -7.860 -0.515 1.00 0.00 C ATOM 693 CD1 ILE A 45 0.872 -8.040 -1.375 1.00 0.00 C ATOM 0 H ILE A 45 1.348 -9.646 2.279 1.00 0.00 H new ATOM 0 HA ILE A 45 3.531 -10.409 0.590 1.00 0.00 H new ATOM 0 HB ILE A 45 2.149 -7.735 1.084 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.786 -9.959 -0.980 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.626 -9.462 0.235 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.113 -7.076 -1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.395 -7.430 0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.993 -8.621 -1.182 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.066 -8.469 -1.970 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.490 -7.195 -0.802 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.669 -7.700 -2.036 1.00 0.00 H new ATOM 705 N ARG A 46 4.227 -8.233 2.981 1.00 0.00 N ATOM 706 CA ARG A 46 5.380 -7.639 3.716 1.00 0.00 C ATOM 707 C ARG A 46 5.827 -8.587 4.829 1.00 0.00 C ATOM 708 O ARG A 46 6.463 -8.184 5.783 1.00 0.00 O ATOM 709 CB ARG A 46 4.959 -6.300 4.328 1.00 0.00 C ATOM 710 CG ARG A 46 6.128 -5.317 4.258 1.00 0.00 C ATOM 711 CD ARG A 46 6.454 -4.815 5.665 1.00 0.00 C ATOM 712 NE ARG A 46 7.929 -4.699 5.822 1.00 0.00 N ATOM 713 CZ ARG A 46 8.460 -3.557 6.160 1.00 0.00 C ATOM 714 NH1 ARG A 46 8.083 -2.461 5.561 1.00 0.00 N ATOM 715 NH2 ARG A 46 9.366 -3.510 7.097 1.00 0.00 N ATOM 0 H ARG A 46 3.306 -7.975 3.335 1.00 0.00 H new ATOM 0 HA ARG A 46 6.206 -7.482 3.022 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.099 -5.898 3.792 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.651 -6.442 5.364 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.001 -5.803 3.822 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.874 -4.478 3.610 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.982 -3.847 5.836 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.051 -5.501 6.410 1.00 0.00 H new ATOM 0 HE ARG A 46 8.524 -5.512 5.665 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.374 -2.498 4.829 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.498 -1.567 5.825 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.660 -4.367 7.566 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.781 -2.616 7.361 1.00 0.00 H new ATOM 729 N THR A 47 5.505 -9.846 4.716 1.00 0.00 N ATOM 730 CA THR A 47 5.918 -10.817 5.769 1.00 0.00 C ATOM 731 C THR A 47 6.788 -11.906 5.140 1.00 0.00 C ATOM 732 O THR A 47 7.955 -12.039 5.450 1.00 0.00 O ATOM 733 CB THR A 47 4.675 -11.455 6.395 1.00 0.00 C ATOM 734 OG1 THR A 47 3.767 -10.434 6.785 1.00 0.00 O ATOM 735 CG2 THR A 47 5.080 -12.274 7.621 1.00 0.00 C ATOM 0 H THR A 47 4.974 -10.244 3.941 1.00 0.00 H new ATOM 0 HA THR A 47 6.485 -10.297 6.541 1.00 0.00 H new ATOM 0 HB THR A 47 4.197 -12.110 5.666 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.967 -10.841 7.179 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.194 -12.727 8.065 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.777 -13.057 7.322 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.559 -11.622 8.352 1.00 0.00 H new ATOM 743 N ASP A 48 6.230 -12.686 4.255 1.00 0.00 N ATOM 744 CA ASP A 48 7.027 -13.763 3.604 1.00 0.00 C ATOM 745 C ASP A 48 7.624 -13.233 2.298 1.00 0.00 C ATOM 746 O ASP A 48 8.737 -13.559 1.936 1.00 0.00 O ATOM 747 CB ASP A 48 6.120 -14.959 3.301 1.00 0.00 C ATOM 748 CG ASP A 48 6.141 -15.930 4.483 1.00 0.00 C ATOM 749 OD1 ASP A 48 7.094 -15.887 5.244 1.00 0.00 O ATOM 750 OD2 ASP A 48 5.204 -16.701 4.607 1.00 0.00 O ATOM 0 H ASP A 48 5.257 -12.624 3.955 1.00 0.00 H new ATOM 0 HA ASP A 48 7.829 -14.077 4.272 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.101 -14.618 3.115 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.457 -15.464 2.396 1.00 0.00 H new ATOM 755 N GLU A 49 6.891 -12.421 1.588 1.00 0.00 N ATOM 756 CA GLU A 49 7.415 -11.871 0.306 1.00 0.00 C ATOM 757 C GLU A 49 8.531 -10.866 0.599 1.00 0.00 C ATOM 758 O GLU A 49 9.257 -10.993 1.566 1.00 0.00 O ATOM 759 CB GLU A 49 6.280 -11.171 -0.445 1.00 0.00 C ATOM 760 CG GLU A 49 6.359 -11.520 -1.932 1.00 0.00 C ATOM 761 CD GLU A 49 5.112 -12.308 -2.341 1.00 0.00 C ATOM 762 OE1 GLU A 49 4.154 -12.294 -1.587 1.00 0.00 O ATOM 763 OE2 GLU A 49 5.138 -12.911 -3.400 1.00 0.00 O ATOM 0 H GLU A 49 5.951 -12.114 1.840 1.00 0.00 H new ATOM 0 HA GLU A 49 7.811 -12.682 -0.305 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.317 -11.480 -0.039 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.352 -10.092 -0.310 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.437 -10.609 -2.526 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.255 -12.108 -2.131 1.00 0.00 H new ATOM 770 N ASN A 50 8.681 -9.869 -0.230 1.00 0.00 N ATOM 771 CA ASN A 50 9.754 -8.862 0.004 1.00 0.00 C ATOM 772 C ASN A 50 9.126 -7.539 0.450 1.00 0.00 C ATOM 773 O ASN A 50 9.733 -6.762 1.160 1.00 0.00 O ATOM 774 CB ASN A 50 10.537 -8.641 -1.291 1.00 0.00 C ATOM 775 CG ASN A 50 11.201 -9.951 -1.719 1.00 0.00 C ATOM 776 OD1 ASN A 50 11.956 -10.538 -0.968 1.00 0.00 O ATOM 777 ND2 ASN A 50 10.949 -10.438 -2.902 1.00 0.00 N ATOM 0 H ASN A 50 8.108 -9.709 -1.058 1.00 0.00 H new ATOM 0 HA ASN A 50 10.428 -9.225 0.780 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.869 -8.287 -2.076 1.00 0.00 H new ATOM 0 HB3 ASN A 50 11.293 -7.870 -1.144 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.385 -11.311 -3.197 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.316 -9.946 -3.532 1.00 0.00 H new ATOM 784 N GLY A 51 7.917 -7.275 0.038 1.00 0.00 N ATOM 785 CA GLY A 51 7.255 -6.001 0.438 1.00 0.00 C ATOM 786 C GLY A 51 7.213 -5.051 -0.760 1.00 0.00 C ATOM 787 O GLY A 51 7.073 -3.854 -0.609 1.00 0.00 O ATOM 0 H GLY A 51 7.359 -7.886 -0.558 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.244 -6.200 0.794 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.798 -5.540 1.263 1.00 0.00 H new ATOM 791 N LEU A 52 7.335 -5.575 -1.948 1.00 0.00 N ATOM 792 CA LEU A 52 7.304 -4.701 -3.153 1.00 0.00 C ATOM 793 C LEU A 52 5.867 -4.575 -3.659 1.00 0.00 C ATOM 794 O LEU A 52 4.957 -5.190 -3.141 1.00 0.00 O ATOM 795 CB LEU A 52 8.164 -5.320 -4.256 1.00 0.00 C ATOM 796 CG LEU A 52 9.645 -5.116 -3.935 1.00 0.00 C ATOM 797 CD1 LEU A 52 10.486 -5.567 -5.130 1.00 0.00 C ATOM 798 CD2 LEU A 52 9.908 -3.634 -3.660 1.00 0.00 C ATOM 0 H LEU A 52 7.455 -6.570 -2.136 1.00 0.00 H new ATOM 0 HA LEU A 52 7.691 -3.716 -2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.945 -6.384 -4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.924 -4.863 -5.216 1.00 0.00 H new ATOM 0 HG LEU A 52 9.912 -5.702 -3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.543 -5.423 -4.906 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.297 -6.622 -5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.218 -4.978 -6.007 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.964 -3.488 -3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.643 -3.048 -4.540 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.305 -3.309 -2.813 1.00 0.00 H new ATOM 810 N CYS A 53 5.661 -3.784 -4.674 1.00 0.00 N ATOM 811 CA CYS A 53 4.286 -3.618 -5.227 1.00 0.00 C ATOM 812 C CYS A 53 4.043 -4.675 -6.312 1.00 0.00 C ATOM 813 O CYS A 53 4.726 -4.689 -7.317 1.00 0.00 O ATOM 814 CB CYS A 53 4.142 -2.229 -5.853 1.00 0.00 C ATOM 815 SG CYS A 53 2.401 -1.920 -6.236 1.00 0.00 S ATOM 0 H CYS A 53 6.386 -3.244 -5.146 1.00 0.00 H new ATOM 0 HA CYS A 53 3.562 -3.734 -4.421 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.515 -1.468 -5.167 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.743 -2.163 -6.760 1.00 0.00 H new ATOM 0 HG CYS A 53 2.161 -0.644 -6.167 1.00 0.00 H new ATOM 820 N PRO A 54 3.075 -5.528 -6.084 1.00 0.00 N ATOM 821 CA PRO A 54 2.723 -6.595 -7.037 1.00 0.00 C ATOM 822 C PRO A 54 1.860 -6.037 -8.176 1.00 0.00 C ATOM 823 O PRO A 54 1.263 -6.780 -8.931 1.00 0.00 O ATOM 824 CB PRO A 54 1.923 -7.585 -6.186 1.00 0.00 C ATOM 825 CG PRO A 54 1.379 -6.784 -4.979 1.00 0.00 C ATOM 826 CD PRO A 54 2.248 -5.517 -4.860 1.00 0.00 C ATOM 0 HA PRO A 54 3.593 -7.049 -7.510 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.107 -8.021 -6.762 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.554 -8.409 -5.853 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.332 -6.522 -5.129 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.432 -7.377 -4.066 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.635 -4.618 -4.802 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.865 -5.541 -3.962 1.00 0.00 H new ATOM 834 N ALA A 55 1.783 -4.739 -8.306 1.00 0.00 N ATOM 835 CA ALA A 55 0.951 -4.155 -9.394 1.00 0.00 C ATOM 836 C ALA A 55 1.792 -3.200 -10.246 1.00 0.00 C ATOM 837 O ALA A 55 1.654 -3.152 -11.452 1.00 0.00 O ATOM 838 CB ALA A 55 -0.221 -3.384 -8.783 1.00 0.00 C ATOM 0 H ALA A 55 2.258 -4.062 -7.709 1.00 0.00 H new ATOM 0 HA ALA A 55 0.576 -4.962 -10.024 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.830 -2.956 -9.580 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.830 -4.062 -8.185 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.161 -2.584 -8.149 1.00 0.00 H new ATOM 844 N CYS A 56 2.652 -2.429 -9.636 1.00 0.00 N ATOM 845 CA CYS A 56 3.475 -1.474 -10.432 1.00 0.00 C ATOM 846 C CYS A 56 4.968 -1.695 -10.154 1.00 0.00 C ATOM 847 O CYS A 56 5.816 -1.062 -10.751 1.00 0.00 O ATOM 848 CB CYS A 56 3.068 -0.033 -10.072 1.00 0.00 C ATOM 849 SG CYS A 56 3.986 0.557 -8.617 1.00 0.00 S ATOM 0 H CYS A 56 2.819 -2.419 -8.630 1.00 0.00 H new ATOM 0 HA CYS A 56 3.300 -1.643 -11.494 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.259 0.626 -10.919 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.997 0.008 -9.872 1.00 0.00 H new ATOM 0 HG CYS A 56 3.640 -0.138 -7.574 1.00 0.00 H new ATOM 854 N ARG A 57 5.298 -2.574 -9.250 1.00 0.00 N ATOM 855 CA ARG A 57 6.737 -2.811 -8.941 1.00 0.00 C ATOM 856 C ARG A 57 7.301 -1.578 -8.233 1.00 0.00 C ATOM 857 O ARG A 57 7.958 -0.750 -8.833 1.00 0.00 O ATOM 858 CB ARG A 57 7.513 -3.052 -10.238 1.00 0.00 C ATOM 859 CG ARG A 57 6.710 -3.974 -11.159 1.00 0.00 C ATOM 860 CD ARG A 57 7.032 -5.432 -10.827 1.00 0.00 C ATOM 861 NE ARG A 57 7.406 -6.155 -12.075 1.00 0.00 N ATOM 862 CZ ARG A 57 8.619 -6.611 -12.228 1.00 0.00 C ATOM 863 NH1 ARG A 57 9.110 -7.462 -11.369 1.00 0.00 N ATOM 864 NH2 ARG A 57 9.341 -6.216 -13.240 1.00 0.00 N ATOM 0 H ARG A 57 4.638 -3.137 -8.713 1.00 0.00 H new ATOM 0 HA ARG A 57 6.834 -3.687 -8.299 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.707 -2.103 -10.738 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.482 -3.499 -10.015 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.643 -3.789 -11.036 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.952 -3.765 -12.201 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.849 -5.480 -10.107 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.169 -5.909 -10.362 1.00 0.00 H new ATOM 0 HE ARG A 57 6.713 -6.294 -12.811 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.546 -7.771 -10.578 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.058 -7.818 -11.489 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.957 -5.551 -13.911 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.289 -6.572 -13.360 1.00 0.00 H new ATOM 878 N LYS A 58 7.047 -1.454 -6.962 1.00 0.00 N ATOM 879 CA LYS A 58 7.558 -0.281 -6.202 1.00 0.00 C ATOM 880 C LYS A 58 7.766 -0.691 -4.745 1.00 0.00 C ATOM 881 O LYS A 58 7.073 -1.550 -4.242 1.00 0.00 O ATOM 882 CB LYS A 58 6.540 0.858 -6.274 1.00 0.00 C ATOM 883 CG LYS A 58 7.099 1.986 -7.142 1.00 0.00 C ATOM 884 CD LYS A 58 6.708 3.336 -6.540 1.00 0.00 C ATOM 885 CE LYS A 58 6.564 4.371 -7.656 1.00 0.00 C ATOM 886 NZ LYS A 58 6.312 5.713 -7.062 1.00 0.00 N ATOM 0 H LYS A 58 6.503 -2.120 -6.413 1.00 0.00 H new ATOM 0 HA LYS A 58 8.502 0.056 -6.630 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.601 0.495 -6.691 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.322 1.229 -5.273 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.184 1.906 -7.207 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.712 1.903 -8.158 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.770 3.244 -5.992 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.464 3.660 -5.825 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.469 4.395 -8.263 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.743 4.095 -8.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.214 6.416 -7.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.437 5.686 -6.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.109 5.976 -6.448 1.00 0.00 H new ATOM 900 N PRO A 59 8.720 -0.072 -4.109 1.00 0.00 N ATOM 901 CA PRO A 59 9.043 -0.369 -2.707 1.00 0.00 C ATOM 902 C PRO A 59 8.005 0.251 -1.768 1.00 0.00 C ATOM 903 O PRO A 59 7.723 1.432 -1.827 1.00 0.00 O ATOM 904 CB PRO A 59 10.418 0.277 -2.512 1.00 0.00 C ATOM 905 CG PRO A 59 10.543 1.367 -3.603 1.00 0.00 C ATOM 906 CD PRO A 59 9.556 0.979 -4.721 1.00 0.00 C ATOM 0 HA PRO A 59 9.043 -1.436 -2.485 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.506 0.711 -1.516 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.213 -0.463 -2.608 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.304 2.351 -3.198 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.562 1.418 -3.986 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.956 1.832 -5.038 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.078 0.610 -5.604 1.00 0.00 H new ATOM 914 N TYR A 60 7.437 -0.540 -0.898 1.00 0.00 N ATOM 915 CA TYR A 60 6.420 -0.005 0.049 1.00 0.00 C ATOM 916 C TYR A 60 7.008 1.179 0.820 1.00 0.00 C ATOM 917 O TYR A 60 8.202 1.239 1.042 1.00 0.00 O ATOM 918 CB TYR A 60 6.017 -1.105 1.039 1.00 0.00 C ATOM 919 CG TYR A 60 5.241 -2.194 0.328 1.00 0.00 C ATOM 920 CD1 TYR A 60 4.913 -2.065 -1.028 1.00 0.00 C ATOM 921 CD2 TYR A 60 4.845 -3.337 1.034 1.00 0.00 C ATOM 922 CE1 TYR A 60 4.191 -3.074 -1.676 1.00 0.00 C ATOM 923 CE2 TYR A 60 4.124 -4.347 0.386 1.00 0.00 C ATOM 924 CZ TYR A 60 3.796 -4.216 -0.969 1.00 0.00 C ATOM 925 OH TYR A 60 3.084 -5.211 -1.606 1.00 0.00 O ATOM 0 H TYR A 60 7.635 -1.536 -0.803 1.00 0.00 H new ATOM 0 HA TYR A 60 5.544 0.325 -0.510 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.907 -1.528 1.505 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.410 -0.680 1.839 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.218 -1.185 -1.575 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.096 -3.439 2.079 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.939 -2.972 -2.721 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.820 -5.228 0.932 1.00 0.00 H new ATOM 0 HH TYR A 60 3.680 -5.707 -2.205 1.00 0.00 H new ATOM 935 N PRO A 61 6.149 2.091 1.206 1.00 0.00 N ATOM 936 CA PRO A 61 6.558 3.292 1.957 1.00 0.00 C ATOM 937 C PRO A 61 6.801 2.950 3.433 1.00 0.00 C ATOM 938 O PRO A 61 6.710 1.808 3.838 1.00 0.00 O ATOM 939 CB PRO A 61 5.360 4.234 1.804 1.00 0.00 C ATOM 940 CG PRO A 61 4.139 3.342 1.475 1.00 0.00 C ATOM 941 CD PRO A 61 4.697 2.014 0.929 1.00 0.00 C ATOM 0 HA PRO A 61 7.488 3.728 1.593 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.192 4.799 2.721 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.536 4.959 1.010 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.533 3.171 2.365 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.495 3.823 0.739 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.242 1.157 1.425 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.500 1.907 -0.138 1.00 0.00 H new