USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 775 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 65 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 102 GLN : amide:sc= 0 K(o=0,f=-2.3) USER MOD Set 1.3: B 13 ASN : amide:sc= 0 K(o=0,f=-3!) USER MOD Set 2.1: A 80 CYS SG : rot -77:sc= 0.432 USER MOD Set 2.2: A 82 THR OG1 : rot 134:sc= 0.49 USER MOD Set 3.1: A 17 HIS : no HD1:sc= 0.678 K(o=0.68,f=-8.4!) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 169:sc= 1.28 (180deg=1.08) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.0194 K(o=0.019,f=1.2) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -160:sc= -0.0364 (180deg=-0.74) USER MOD Single : A 41 THR OG1 : rot -59:sc= 1.2 USER MOD Single : A 42 GLN : amide:sc= 0.193 K(o=0.19,f=-3.2!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0.953 K(o=0.95,f=-2.9!) USER MOD Single : A 59 TYR OH : rot 176:sc= 1.26 USER MOD Single : A 61 CYS SG : rot 180:sc= -0.549 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 73 SER OG : rot 31:sc= 0.205 USER MOD Single : A 76 SER OG : rot -150:sc= 0.699 USER MOD Single : A 81 GLN : amide:sc= 0.00454 K(o=0.0045,f=-0.7) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 90 LYS NZ :NH3+ -170:sc= 1.01 (180deg=0.933) USER MOD Single : A 91 CYS SG : rot -170:sc= -0.043 USER MOD Single : A 92 SER OG : rot 180:sc= 0.0106 USER MOD Single : A 99 ASN : amide:sc= 0.297 K(o=0.3,f=-0.67) USER MOD Single : A 105 MET CE :methyl 161:sc= -0.124 (180deg=-0.223) USER MOD Single : B 6 HIS : no HD1:sc=-0.00122 X(o=-0.0012,f=0) USER MOD Single : B 9 CYS SG : rot 160:sc= -0.0493 USER MOD Single : B 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N HIS A 17 -3.401 -16.152 -7.146 1.00 0.00 N ATOM 203 CA HIS A 17 -3.312 -15.010 -8.069 1.00 0.00 C ATOM 204 C HIS A 17 -2.562 -13.792 -7.457 1.00 0.00 C ATOM 205 O HIS A 17 -2.760 -13.496 -6.270 1.00 0.00 O ATOM 206 CB HIS A 17 -4.726 -14.611 -8.519 1.00 0.00 C ATOM 207 CG HIS A 17 -4.727 -13.869 -9.822 1.00 0.00 C ATOM 208 ND1 HIS A 17 -4.406 -12.523 -9.969 1.00 0.00 N ATOM 209 CD2 HIS A 17 -4.931 -14.418 -11.053 1.00 0.00 C ATOM 210 CE1 HIS A 17 -4.426 -12.290 -11.291 1.00 0.00 C ATOM 211 NE2 HIS A 17 -4.745 -13.406 -11.968 1.00 0.00 N ATOM 0 HA HIS A 17 -2.722 -15.325 -8.930 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -5.340 -15.507 -8.615 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.186 -13.990 -7.751 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -5.188 -15.445 -11.268 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.214 -11.335 -11.748 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -4.834 -13.489 -12.981 1.00 0.00 H new ATOM 219 N PRO A 18 -1.716 -13.073 -8.231 1.00 0.00 N ATOM 220 CA PRO A 18 -0.973 -11.918 -7.732 1.00 0.00 C ATOM 221 C PRO A 18 -1.815 -10.649 -7.516 1.00 0.00 C ATOM 222 O PRO A 18 -1.360 -9.780 -6.772 1.00 0.00 O ATOM 223 CB PRO A 18 0.141 -11.673 -8.760 1.00 0.00 C ATOM 224 CG PRO A 18 -0.452 -12.214 -10.058 1.00 0.00 C ATOM 225 CD PRO A 18 -1.243 -13.424 -9.566 1.00 0.00 C ATOM 0 HA PRO A 18 -0.594 -12.140 -6.734 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.387 -10.614 -8.841 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.059 -12.194 -8.490 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.091 -11.482 -10.551 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.321 -12.495 -10.773 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.078 -13.643 -10.232 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.616 -14.315 -9.537 1.00 0.00 H new ATOM 233 N THR A 19 -3.016 -10.525 -8.110 1.00 0.00 N ATOM 234 CA THR A 19 -3.876 -9.328 -7.973 1.00 0.00 C ATOM 235 C THR A 19 -5.312 -9.623 -7.562 1.00 0.00 C ATOM 236 O THR A 19 -5.962 -8.725 -7.028 1.00 0.00 O ATOM 237 CB THR A 19 -3.870 -8.464 -9.240 1.00 0.00 C ATOM 238 OG1 THR A 19 -4.443 -9.166 -10.320 1.00 0.00 O ATOM 239 CG2 THR A 19 -2.458 -8.046 -9.642 1.00 0.00 C ATOM 0 H THR A 19 -3.421 -11.252 -8.700 1.00 0.00 H new ATOM 0 HA THR A 19 -3.423 -8.772 -7.152 1.00 0.00 H new ATOM 0 HB THR A 19 -4.453 -7.572 -9.010 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.433 -8.600 -11.120 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.502 -7.436 -10.544 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.006 -7.469 -8.835 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.856 -8.934 -9.834 1.00 0.00 H new ATOM 247 N LYS A 20 -5.799 -10.858 -7.732 1.00 0.00 N ATOM 248 CA LYS A 20 -7.097 -11.308 -7.204 1.00 0.00 C ATOM 249 C LYS A 20 -6.916 -12.061 -5.873 1.00 0.00 C ATOM 250 O LYS A 20 -5.981 -12.848 -5.702 1.00 0.00 O ATOM 251 CB LYS A 20 -7.832 -12.198 -8.227 1.00 0.00 C ATOM 252 CG LYS A 20 -8.597 -11.461 -9.332 1.00 0.00 C ATOM 253 CD LYS A 20 -7.703 -10.588 -10.223 1.00 0.00 C ATOM 254 CE LYS A 20 -8.382 -10.379 -11.579 1.00 0.00 C ATOM 255 NZ LYS A 20 -7.705 -9.330 -12.381 1.00 0.00 N ATOM 0 H LYS A 20 -5.299 -11.583 -8.246 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.706 -10.423 -7.020 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.102 -12.857 -8.696 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.535 -12.833 -7.688 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.113 -12.192 -9.955 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.363 -10.834 -8.876 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.521 -9.626 -9.743 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.732 -11.064 -10.360 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.381 -11.317 -12.134 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.425 -10.101 -11.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.072 -9.346 -13.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.887 -8.398 -11.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.681 -9.510 -12.394 1.00 0.00 H new ATOM 269 N PHE A 21 -7.847 -11.856 -4.942 1.00 0.00 N ATOM 270 CA PHE A 21 -7.840 -12.446 -3.605 1.00 0.00 C ATOM 271 C PHE A 21 -9.283 -12.772 -3.203 1.00 0.00 C ATOM 272 O PHE A 21 -10.073 -11.876 -2.914 1.00 0.00 O ATOM 273 CB PHE A 21 -7.182 -11.469 -2.610 1.00 0.00 C ATOM 274 CG PHE A 21 -5.749 -11.072 -2.922 1.00 0.00 C ATOM 275 CD1 PHE A 21 -5.477 -9.993 -3.786 1.00 0.00 C ATOM 276 CD2 PHE A 21 -4.679 -11.763 -2.325 1.00 0.00 C ATOM 277 CE1 PHE A 21 -4.149 -9.627 -4.072 1.00 0.00 C ATOM 278 CE2 PHE A 21 -3.351 -11.393 -2.603 1.00 0.00 C ATOM 279 CZ PHE A 21 -3.084 -10.326 -3.479 1.00 0.00 C ATOM 0 H PHE A 21 -8.654 -11.254 -5.104 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.259 -13.368 -3.597 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -7.788 -10.564 -2.564 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.206 -11.920 -1.618 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.293 -9.443 -4.232 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.878 -12.582 -1.650 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.948 -8.809 -4.747 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.535 -11.930 -2.143 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.064 -10.045 -3.695 1.00 0.00 H new ATOM 289 N LYS A 22 -9.654 -14.054 -3.187 1.00 0.00 N ATOM 290 CA LYS A 22 -10.968 -14.487 -2.698 1.00 0.00 C ATOM 291 C LYS A 22 -11.132 -14.196 -1.194 1.00 0.00 C ATOM 292 O LYS A 22 -10.204 -14.412 -0.411 1.00 0.00 O ATOM 293 CB LYS A 22 -11.123 -15.977 -3.024 1.00 0.00 C ATOM 294 CG LYS A 22 -11.472 -16.175 -4.508 1.00 0.00 C ATOM 295 CD LYS A 22 -11.270 -17.631 -4.925 1.00 0.00 C ATOM 296 CE LYS A 22 -9.850 -17.882 -5.448 1.00 0.00 C ATOM 297 NZ LYS A 22 -9.621 -19.331 -5.683 1.00 0.00 N ATOM 0 H LYS A 22 -9.059 -14.817 -3.509 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.760 -13.925 -3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.198 -16.504 -2.789 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.904 -16.411 -2.400 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.507 -15.882 -4.685 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.848 -15.526 -5.122 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.464 -18.283 -4.074 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.993 -17.891 -5.698 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.697 -17.330 -6.375 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.122 -17.506 -4.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.654 -19.477 -6.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.746 -19.851 -4.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.303 -19.681 -6.386 1.00 0.00 H new ATOM 311 N VAL A 23 -12.303 -13.693 -0.796 1.00 0.00 N ATOM 312 CA VAL A 23 -12.576 -13.161 0.552 1.00 0.00 C ATOM 313 C VAL A 23 -14.012 -13.460 0.996 1.00 0.00 C ATOM 314 O VAL A 23 -14.889 -13.693 0.163 1.00 0.00 O ATOM 315 CB VAL A 23 -12.323 -11.633 0.637 1.00 0.00 C ATOM 316 CG1 VAL A 23 -10.834 -11.258 0.599 1.00 0.00 C ATOM 317 CG2 VAL A 23 -13.082 -10.826 -0.428 1.00 0.00 C ATOM 0 H VAL A 23 -13.112 -13.641 -1.415 1.00 0.00 H new ATOM 0 HA VAL A 23 -11.882 -13.667 1.223 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.719 -11.360 1.615 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.730 -10.175 0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.320 -11.722 1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.394 -11.611 -0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -12.858 -9.766 -0.309 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.773 -11.153 -1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -14.154 -10.986 -0.310 1.00 0.00 H new ATOM 327 N THR A 24 -14.256 -13.411 2.311 1.00 0.00 N ATOM 328 CA THR A 24 -15.579 -13.597 2.923 1.00 0.00 C ATOM 329 C THR A 24 -15.789 -12.520 3.973 1.00 0.00 C ATOM 330 O THR A 24 -15.046 -12.462 4.946 1.00 0.00 O ATOM 331 CB THR A 24 -15.679 -14.999 3.538 1.00 0.00 C ATOM 332 OG1 THR A 24 -15.469 -15.972 2.536 1.00 0.00 O ATOM 333 CG2 THR A 24 -17.046 -15.257 4.169 1.00 0.00 C ATOM 0 H THR A 24 -13.521 -13.237 2.997 1.00 0.00 H new ATOM 0 HA THR A 24 -16.359 -13.510 2.167 1.00 0.00 H new ATOM 0 HB THR A 24 -14.919 -15.062 4.316 1.00 0.00 H new ATOM 0 HG1 THR A 24 -15.532 -16.867 2.931 1.00 0.00 H new ATOM 0 HG21 THR A 24 -17.068 -16.262 4.591 1.00 0.00 H new ATOM 0 HG22 THR A 24 -17.226 -14.528 4.959 1.00 0.00 H new ATOM 0 HG23 THR A 24 -17.821 -15.166 3.408 1.00 0.00 H new ATOM 341 N ASN A 25 -16.786 -11.656 3.786 1.00 0.00 N ATOM 342 CA ASN A 25 -17.102 -10.568 4.719 1.00 0.00 C ATOM 343 C ASN A 25 -17.630 -11.125 6.054 1.00 0.00 C ATOM 344 O ASN A 25 -18.464 -12.036 6.050 1.00 0.00 O ATOM 345 CB ASN A 25 -18.106 -9.618 4.037 1.00 0.00 C ATOM 346 CG ASN A 25 -18.413 -8.347 4.826 1.00 0.00 C ATOM 347 OD1 ASN A 25 -19.560 -7.934 4.946 1.00 0.00 O ATOM 348 ND2 ASN A 25 -17.421 -7.662 5.365 1.00 0.00 N ATOM 0 H ASN A 25 -17.405 -11.689 2.976 1.00 0.00 H new ATOM 0 HA ASN A 25 -16.201 -10.005 4.963 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -17.715 -9.338 3.059 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -19.037 -10.157 3.865 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -17.614 -6.800 5.874 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -16.461 -7.995 5.272 1.00 0.00 H new ATOM 355 N VAL A 26 -17.152 -10.587 7.183 1.00 0.00 N ATOM 356 CA VAL A 26 -17.495 -11.057 8.537 1.00 0.00 C ATOM 357 C VAL A 26 -17.956 -9.923 9.466 1.00 0.00 C ATOM 358 O VAL A 26 -17.600 -8.762 9.264 1.00 0.00 O ATOM 359 CB VAL A 26 -16.359 -11.879 9.198 1.00 0.00 C ATOM 360 CG1 VAL A 26 -15.956 -13.115 8.375 1.00 0.00 C ATOM 361 CG2 VAL A 26 -15.096 -11.053 9.499 1.00 0.00 C ATOM 0 H VAL A 26 -16.504 -9.799 7.184 1.00 0.00 H new ATOM 0 HA VAL A 26 -18.342 -11.727 8.394 1.00 0.00 H new ATOM 0 HB VAL A 26 -16.791 -12.205 10.144 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -15.157 -13.650 8.889 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -16.818 -13.773 8.261 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.608 -12.799 7.392 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -14.344 -11.693 9.960 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.701 -10.641 8.571 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.347 -10.239 10.180 1.00 0.00 H new ATOM 371 N ASP A 27 -18.760 -10.274 10.479 1.00 0.00 N ATOM 372 CA ASP A 27 -19.316 -9.345 11.479 1.00 0.00 C ATOM 373 C ASP A 27 -18.430 -9.173 12.742 1.00 0.00 C ATOM 374 O ASP A 27 -17.277 -9.608 12.775 1.00 0.00 O ATOM 375 CB ASP A 27 -20.727 -9.828 11.862 1.00 0.00 C ATOM 376 CG ASP A 27 -20.689 -10.920 12.933 1.00 0.00 C ATOM 377 OD1 ASP A 27 -19.875 -11.862 12.803 1.00 0.00 O ATOM 378 OD2 ASP A 27 -21.401 -10.768 13.951 1.00 0.00 O ATOM 0 H ASP A 27 -19.051 -11.239 10.632 1.00 0.00 H new ATOM 0 HA ASP A 27 -19.354 -8.356 11.023 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -21.313 -8.984 12.226 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -21.233 -10.208 10.975 1.00 0.00 H new ATOM 383 N ASP A 28 -18.983 -8.571 13.808 1.00 0.00 N ATOM 384 CA ASP A 28 -18.313 -8.392 15.107 1.00 0.00 C ATOM 385 C ASP A 28 -18.014 -9.728 15.821 1.00 0.00 C ATOM 386 O ASP A 28 -17.020 -9.830 16.545 1.00 0.00 O ATOM 387 CB ASP A 28 -19.183 -7.520 16.035 1.00 0.00 C ATOM 388 CG ASP A 28 -19.007 -6.009 15.821 1.00 0.00 C ATOM 389 OD1 ASP A 28 -17.935 -5.472 16.188 1.00 0.00 O ATOM 390 OD2 ASP A 28 -19.963 -5.353 15.348 1.00 0.00 O ATOM 0 H ASP A 28 -19.928 -8.187 13.790 1.00 0.00 H new ATOM 0 HA ASP A 28 -17.360 -7.906 14.897 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -20.231 -7.778 15.882 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -18.944 -7.760 17.071 1.00 0.00 H new ATOM 395 N GLU A 29 -18.844 -10.756 15.606 1.00 0.00 N ATOM 396 CA GLU A 29 -18.653 -12.114 16.134 1.00 0.00 C ATOM 397 C GLU A 29 -17.656 -12.932 15.286 1.00 0.00 C ATOM 398 O GLU A 29 -17.225 -14.010 15.703 1.00 0.00 O ATOM 399 CB GLU A 29 -20.000 -12.861 16.177 1.00 0.00 C ATOM 400 CG GLU A 29 -21.068 -12.189 17.049 1.00 0.00 C ATOM 401 CD GLU A 29 -20.916 -12.583 18.526 1.00 0.00 C ATOM 402 OE1 GLU A 29 -21.507 -13.609 18.943 1.00 0.00 O ATOM 403 OE2 GLU A 29 -20.213 -11.873 19.283 1.00 0.00 O ATOM 0 H GLU A 29 -19.691 -10.664 15.045 1.00 0.00 H new ATOM 0 HA GLU A 29 -18.244 -12.011 17.139 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -20.383 -12.954 15.161 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -19.830 -13.872 16.547 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -20.992 -11.106 16.950 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -22.059 -12.472 16.696 1.00 0.00 H new ATOM 410 N GLY A 30 -17.301 -12.443 14.091 1.00 0.00 N ATOM 411 CA GLY A 30 -16.464 -13.136 13.113 1.00 0.00 C ATOM 412 C GLY A 30 -17.208 -14.184 12.279 1.00 0.00 C ATOM 413 O GLY A 30 -16.534 -14.989 11.634 1.00 0.00 O ATOM 0 H GLY A 30 -17.601 -11.522 13.771 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -16.024 -12.399 12.441 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.641 -13.622 13.636 1.00 0.00 H new ATOM 417 N VAL A 31 -18.546 -14.201 12.265 1.00 0.00 N ATOM 418 CA VAL A 31 -19.316 -15.134 11.421 1.00 0.00 C ATOM 419 C VAL A 31 -19.320 -14.696 9.962 1.00 0.00 C ATOM 420 O VAL A 31 -19.259 -13.510 9.653 1.00 0.00 O ATOM 421 CB VAL A 31 -20.773 -15.398 11.854 1.00 0.00 C ATOM 422 CG1 VAL A 31 -20.810 -16.236 13.135 1.00 0.00 C ATOM 423 CG2 VAL A 31 -21.683 -14.175 11.961 1.00 0.00 C ATOM 0 H VAL A 31 -19.124 -13.578 12.830 1.00 0.00 H new ATOM 0 HA VAL A 31 -18.782 -16.075 11.553 1.00 0.00 H new ATOM 0 HB VAL A 31 -21.203 -15.960 11.025 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -21.846 -16.412 13.425 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -20.315 -17.191 12.959 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -20.295 -15.702 13.934 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -22.679 -14.489 12.273 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -21.275 -13.481 12.696 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -21.745 -13.682 10.991 1.00 0.00 H new ATOM 433 N GLU A 32 -19.414 -15.682 9.076 1.00 0.00 N ATOM 434 CA GLU A 32 -19.326 -15.503 7.630 1.00 0.00 C ATOM 435 C GLU A 32 -20.687 -15.109 7.043 1.00 0.00 C ATOM 436 O GLU A 32 -21.685 -15.810 7.231 1.00 0.00 O ATOM 437 CB GLU A 32 -18.814 -16.807 6.994 1.00 0.00 C ATOM 438 CG GLU A 32 -17.371 -17.151 7.399 1.00 0.00 C ATOM 439 CD GLU A 32 -17.000 -18.569 6.938 1.00 0.00 C ATOM 440 OE1 GLU A 32 -17.243 -19.536 7.697 1.00 0.00 O ATOM 441 OE2 GLU A 32 -16.456 -18.731 5.821 1.00 0.00 O ATOM 0 H GLU A 32 -19.557 -16.654 9.351 1.00 0.00 H new ATOM 0 HA GLU A 32 -18.629 -14.694 7.410 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -19.471 -17.627 7.283 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -18.870 -16.721 5.909 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -16.683 -16.429 6.960 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -17.264 -17.076 8.481 1.00 0.00 H new ATOM 448 N LEU A 33 -20.724 -13.976 6.331 1.00 0.00 N ATOM 449 CA LEU A 33 -21.961 -13.340 5.860 1.00 0.00 C ATOM 450 C LEU A 33 -22.184 -13.556 4.359 1.00 0.00 C ATOM 451 O LEU A 33 -23.252 -14.008 3.941 1.00 0.00 O ATOM 452 CB LEU A 33 -21.898 -11.834 6.177 1.00 0.00 C ATOM 453 CG LEU A 33 -21.551 -11.487 7.637 1.00 0.00 C ATOM 454 CD1 LEU A 33 -21.495 -9.964 7.754 1.00 0.00 C ATOM 455 CD2 LEU A 33 -22.556 -12.090 8.625 1.00 0.00 C ATOM 0 H LEU A 33 -19.882 -13.467 6.062 1.00 0.00 H new ATOM 0 HA LEU A 33 -22.803 -13.801 6.377 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.157 -11.372 5.524 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -22.861 -11.387 5.933 1.00 0.00 H new ATOM 0 HG LEU A 33 -20.585 -11.919 7.897 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -21.251 -9.687 8.779 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -20.731 -9.575 7.081 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -22.464 -9.543 7.485 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -22.273 -11.820 9.642 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -23.553 -11.704 8.411 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -22.558 -13.175 8.525 1.00 0.00 H new ATOM 467 N GLY A 34 -21.163 -13.234 3.560 1.00 0.00 N ATOM 468 CA GLY A 34 -21.161 -13.373 2.099 1.00 0.00 C ATOM 469 C GLY A 34 -19.761 -13.417 1.493 1.00 0.00 C ATOM 470 O GLY A 34 -18.830 -12.794 2.004 1.00 0.00 O ATOM 0 H GLY A 34 -20.287 -12.857 3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -21.694 -14.284 1.828 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -21.711 -12.540 1.662 1.00 0.00 H new ATOM 474 N SER A 35 -19.613 -14.145 0.390 1.00 0.00 N ATOM 475 CA SER A 35 -18.357 -14.291 -0.357 1.00 0.00 C ATOM 476 C SER A 35 -18.185 -13.228 -1.460 1.00 0.00 C ATOM 477 O SER A 35 -19.154 -12.703 -2.019 1.00 0.00 O ATOM 478 CB SER A 35 -18.265 -15.715 -0.936 1.00 0.00 C ATOM 479 OG SER A 35 -19.409 -16.053 -1.712 1.00 0.00 O ATOM 0 H SER A 35 -20.384 -14.667 -0.025 1.00 0.00 H new ATOM 0 HA SER A 35 -17.537 -14.128 0.342 1.00 0.00 H new ATOM 0 HB2 SER A 35 -17.371 -15.797 -1.554 1.00 0.00 H new ATOM 0 HB3 SER A 35 -18.156 -16.431 -0.121 1.00 0.00 H new ATOM 0 HG SER A 35 -19.310 -16.963 -2.062 1.00 0.00 H new ATOM 485 N GLY A 36 -16.924 -12.906 -1.770 1.00 0.00 N ATOM 486 CA GLY A 36 -16.514 -11.930 -2.783 1.00 0.00 C ATOM 487 C GLY A 36 -15.094 -12.166 -3.291 1.00 0.00 C ATOM 488 O GLY A 36 -14.343 -12.961 -2.716 1.00 0.00 O ATOM 0 H GLY A 36 -16.128 -13.338 -1.301 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -17.207 -11.972 -3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.583 -10.927 -2.363 1.00 0.00 H new ATOM 492 N VAL A 37 -14.708 -11.443 -4.343 1.00 0.00 N ATOM 493 CA VAL A 37 -13.323 -11.430 -4.846 1.00 0.00 C ATOM 494 C VAL A 37 -12.789 -10.007 -4.739 1.00 0.00 C ATOM 495 O VAL A 37 -13.341 -9.086 -5.335 1.00 0.00 O ATOM 496 CB VAL A 37 -13.213 -11.960 -6.295 1.00 0.00 C ATOM 497 CG1 VAL A 37 -11.748 -11.965 -6.764 1.00 0.00 C ATOM 498 CG2 VAL A 37 -13.778 -13.383 -6.417 1.00 0.00 C ATOM 0 H VAL A 37 -15.343 -10.848 -4.875 1.00 0.00 H new ATOM 0 HA VAL A 37 -12.722 -12.105 -4.237 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.799 -11.290 -6.925 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.694 -12.341 -7.786 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.352 -10.950 -6.730 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.159 -12.607 -6.109 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.685 -13.724 -7.448 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -13.222 -14.053 -5.761 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.829 -13.383 -6.128 1.00 0.00 H new ATOM 508 N MET A 38 -11.710 -9.834 -3.978 1.00 0.00 N ATOM 509 CA MET A 38 -11.000 -8.566 -3.841 1.00 0.00 C ATOM 510 C MET A 38 -9.933 -8.439 -4.927 1.00 0.00 C ATOM 511 O MET A 38 -9.263 -9.408 -5.281 1.00 0.00 O ATOM 512 CB MET A 38 -10.428 -8.446 -2.420 1.00 0.00 C ATOM 513 CG MET A 38 -9.943 -7.020 -2.129 1.00 0.00 C ATOM 514 SD MET A 38 -9.516 -6.693 -0.400 1.00 0.00 S ATOM 515 CE MET A 38 -11.179 -6.586 0.315 1.00 0.00 C ATOM 0 H MET A 38 -11.297 -10.588 -3.428 1.00 0.00 H new ATOM 0 HA MET A 38 -11.688 -7.733 -3.982 1.00 0.00 H new ATOM 0 HB2 MET A 38 -11.191 -8.727 -1.694 1.00 0.00 H new ATOM 0 HB3 MET A 38 -9.600 -9.145 -2.299 1.00 0.00 H new ATOM 0 HG2 MET A 38 -9.069 -6.817 -2.748 1.00 0.00 H new ATOM 0 HG3 MET A 38 -10.720 -6.319 -2.434 1.00 0.00 H new ATOM 0 HE1 MET A 38 -11.133 -6.052 1.264 1.00 0.00 H new ATOM 0 HE2 MET A 38 -11.836 -6.052 -0.371 1.00 0.00 H new ATOM 0 HE3 MET A 38 -11.568 -7.590 0.482 1.00 0.00 H new ATOM 525 N GLU A 39 -9.785 -7.230 -5.453 1.00 0.00 N ATOM 526 CA GLU A 39 -8.853 -6.878 -6.510 1.00 0.00 C ATOM 527 C GLU A 39 -8.167 -5.563 -6.147 1.00 0.00 C ATOM 528 O GLU A 39 -8.825 -4.577 -5.786 1.00 0.00 O ATOM 529 CB GLU A 39 -9.606 -6.799 -7.846 1.00 0.00 C ATOM 530 CG GLU A 39 -8.673 -6.464 -9.017 1.00 0.00 C ATOM 531 CD GLU A 39 -9.374 -6.569 -10.377 1.00 0.00 C ATOM 532 OE1 GLU A 39 -10.584 -6.259 -10.477 1.00 0.00 O ATOM 533 OE2 GLU A 39 -8.704 -6.970 -11.358 1.00 0.00 O ATOM 0 H GLU A 39 -10.338 -6.433 -5.138 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.079 -7.638 -6.618 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.101 -7.751 -8.039 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.387 -6.041 -7.777 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.284 -5.454 -8.890 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.818 -7.139 -9.000 1.00 0.00 H new ATOM 540 N LEU A 40 -6.836 -5.579 -6.237 1.00 0.00 N ATOM 541 CA LEU A 40 -5.953 -4.444 -5.992 1.00 0.00 C ATOM 542 C LEU A 40 -5.388 -3.987 -7.340 1.00 0.00 C ATOM 543 O LEU A 40 -4.876 -4.804 -8.114 1.00 0.00 O ATOM 544 CB LEU A 40 -4.807 -4.846 -5.038 1.00 0.00 C ATOM 545 CG LEU A 40 -5.164 -4.956 -3.540 1.00 0.00 C ATOM 546 CD1 LEU A 40 -6.130 -6.102 -3.212 1.00 0.00 C ATOM 547 CD2 LEU A 40 -3.872 -5.192 -2.749 1.00 0.00 C ATOM 0 H LEU A 40 -6.324 -6.423 -6.494 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.507 -3.633 -5.520 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.412 -5.807 -5.366 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.003 -4.118 -5.145 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.663 -4.025 -3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.331 -6.113 -2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.064 -5.958 -3.755 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.682 -7.051 -3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.105 -5.272 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.401 -6.115 -3.088 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.190 -4.357 -2.909 1.00 0.00 H new ATOM 559 N THR A 41 -5.469 -2.682 -7.608 1.00 0.00 N ATOM 560 CA THR A 41 -4.974 -2.042 -8.839 1.00 0.00 C ATOM 561 C THR A 41 -4.116 -0.837 -8.488 1.00 0.00 C ATOM 562 O THR A 41 -4.146 -0.360 -7.357 1.00 0.00 O ATOM 563 CB THR A 41 -6.127 -1.635 -9.770 1.00 0.00 C ATOM 564 OG1 THR A 41 -6.845 -0.571 -9.190 1.00 0.00 O ATOM 565 CG2 THR A 41 -7.099 -2.779 -10.071 1.00 0.00 C ATOM 0 H THR A 41 -5.892 -2.018 -6.959 1.00 0.00 H new ATOM 0 HA THR A 41 -4.365 -2.769 -9.377 1.00 0.00 H new ATOM 0 HB THR A 41 -5.673 -1.339 -10.716 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.199 -0.851 -8.320 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.888 -2.422 -10.733 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.562 -3.595 -10.554 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.541 -3.136 -9.140 1.00 0.00 H new ATOM 573 N GLN A 42 -3.383 -0.299 -9.457 1.00 0.00 N ATOM 574 CA GLN A 42 -2.636 0.952 -9.292 1.00 0.00 C ATOM 575 C GLN A 42 -3.566 2.173 -9.101 1.00 0.00 C ATOM 576 O GLN A 42 -3.094 3.250 -8.739 1.00 0.00 O ATOM 577 CB GLN A 42 -1.692 1.164 -10.490 1.00 0.00 C ATOM 578 CG GLN A 42 -0.542 0.143 -10.611 1.00 0.00 C ATOM 579 CD GLN A 42 -0.947 -1.265 -11.068 1.00 0.00 C ATOM 580 OE1 GLN A 42 -2.008 -1.502 -11.636 1.00 0.00 O ATOM 581 NE2 GLN A 42 -0.125 -2.265 -10.825 1.00 0.00 N ATOM 0 H GLN A 42 -3.287 -0.716 -10.383 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.045 0.864 -8.381 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.282 1.133 -11.406 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.263 2.164 -10.421 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.195 0.535 -11.312 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.049 0.063 -9.642 1.00 0.00 H new ATOM 0 HE21 GLN A 42 0.763 -2.092 -10.354 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.376 -3.212 -11.108 1.00 0.00 H new ATOM 590 N SER A 43 -4.880 2.017 -9.299 1.00 0.00 N ATOM 591 CA SER A 43 -5.880 3.079 -9.118 1.00 0.00 C ATOM 592 C SER A 43 -6.602 3.009 -7.761 1.00 0.00 C ATOM 593 O SER A 43 -6.761 4.044 -7.109 1.00 0.00 O ATOM 594 CB SER A 43 -6.930 3.008 -10.239 1.00 0.00 C ATOM 595 OG SER A 43 -6.352 3.216 -11.523 1.00 0.00 O ATOM 0 H SER A 43 -5.288 1.130 -9.596 1.00 0.00 H new ATOM 0 HA SER A 43 -5.334 4.022 -9.152 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.421 2.035 -10.215 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.701 3.758 -10.062 1.00 0.00 H new ATOM 0 HG SER A 43 -7.050 3.162 -12.209 1.00 0.00 H new ATOM 601 N GLU A 44 -7.045 1.817 -7.327 1.00 0.00 N ATOM 602 CA GLU A 44 -7.946 1.627 -6.180 1.00 0.00 C ATOM 603 C GLU A 44 -8.151 0.148 -5.790 1.00 0.00 C ATOM 604 O GLU A 44 -7.772 -0.774 -6.523 1.00 0.00 O ATOM 605 CB GLU A 44 -9.309 2.295 -6.473 1.00 0.00 C ATOM 606 CG GLU A 44 -10.094 1.685 -7.645 1.00 0.00 C ATOM 607 CD GLU A 44 -11.324 2.533 -8.017 1.00 0.00 C ATOM 608 OE1 GLU A 44 -11.921 3.189 -7.133 1.00 0.00 O ATOM 609 OE2 GLU A 44 -11.699 2.543 -9.213 1.00 0.00 O ATOM 0 H GLU A 44 -6.780 0.940 -7.775 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.466 2.101 -5.324 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.924 2.239 -5.575 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.141 3.352 -6.679 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.440 1.595 -8.512 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.414 0.677 -7.381 1.00 0.00 H new ATOM 616 N LEU A 45 -8.810 -0.069 -4.645 1.00 0.00 N ATOM 617 CA LEU A 45 -9.323 -1.363 -4.189 1.00 0.00 C ATOM 618 C LEU A 45 -10.727 -1.601 -4.761 1.00 0.00 C ATOM 619 O LEU A 45 -11.551 -0.682 -4.770 1.00 0.00 O ATOM 620 CB LEU A 45 -9.406 -1.369 -2.643 1.00 0.00 C ATOM 621 CG LEU A 45 -8.307 -2.169 -1.927 1.00 0.00 C ATOM 622 CD1 LEU A 45 -8.491 -2.042 -0.410 1.00 0.00 C ATOM 623 CD2 LEU A 45 -8.362 -3.654 -2.294 1.00 0.00 C ATOM 0 H LEU A 45 -9.007 0.684 -3.986 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.651 -2.150 -4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.370 -0.338 -2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.375 -1.773 -2.350 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.345 -1.764 -2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.712 -2.609 0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.424 -0.993 -0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.468 -2.434 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.570 -4.188 -1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.330 -4.064 -2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.225 -3.768 -3.369 1.00 0.00 H new ATOM 635 N VAL A 46 -11.017 -2.836 -5.182 1.00 0.00 N ATOM 636 CA VAL A 46 -12.334 -3.242 -5.704 1.00 0.00 C ATOM 637 C VAL A 46 -12.779 -4.585 -5.104 1.00 0.00 C ATOM 638 O VAL A 46 -11.974 -5.507 -5.000 1.00 0.00 O ATOM 639 CB VAL A 46 -12.311 -3.325 -7.252 1.00 0.00 C ATOM 640 CG1 VAL A 46 -13.714 -3.606 -7.820 1.00 0.00 C ATOM 641 CG2 VAL A 46 -11.770 -2.040 -7.911 1.00 0.00 C ATOM 0 H VAL A 46 -10.336 -3.596 -5.171 1.00 0.00 H new ATOM 0 HA VAL A 46 -13.056 -2.481 -5.408 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.638 -4.149 -7.489 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.663 -3.658 -8.908 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -14.082 -4.554 -7.428 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -14.392 -2.805 -7.527 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.777 -2.156 -8.995 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -12.400 -1.195 -7.632 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.750 -1.859 -7.572 1.00 0.00 H new ATOM 651 N LEU A 47 -14.060 -4.703 -4.732 1.00 0.00 N ATOM 652 CA LEU A 47 -14.733 -5.961 -4.381 1.00 0.00 C ATOM 653 C LEU A 47 -15.760 -6.315 -5.452 1.00 0.00 C ATOM 654 O LEU A 47 -16.635 -5.512 -5.774 1.00 0.00 O ATOM 655 CB LEU A 47 -15.486 -5.871 -3.038 1.00 0.00 C ATOM 656 CG LEU A 47 -14.662 -6.171 -1.779 1.00 0.00 C ATOM 657 CD1 LEU A 47 -15.567 -6.074 -0.546 1.00 0.00 C ATOM 658 CD2 LEU A 47 -14.049 -7.571 -1.764 1.00 0.00 C ATOM 0 H LEU A 47 -14.679 -3.895 -4.665 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.953 -6.718 -4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.902 -4.868 -2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -16.328 -6.563 -3.070 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.854 -5.440 -1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.985 -6.287 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -15.983 -5.069 -0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -16.378 -6.797 -0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -13.481 -7.710 -0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -14.843 -8.316 -1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -13.385 -7.687 -2.621 1.00 0.00 H new ATOM 670 N HIS A 48 -15.690 -7.558 -5.912 1.00 0.00 N ATOM 671 CA HIS A 48 -16.640 -8.202 -6.819 1.00 0.00 C ATOM 672 C HIS A 48 -17.563 -9.166 -6.051 1.00 0.00 C ATOM 673 O HIS A 48 -17.076 -9.982 -5.259 1.00 0.00 O ATOM 674 CB HIS A 48 -15.852 -8.914 -7.926 1.00 0.00 C ATOM 675 CG HIS A 48 -14.969 -7.990 -8.727 1.00 0.00 C ATOM 676 ND1 HIS A 48 -15.421 -7.033 -9.638 1.00 0.00 N ATOM 677 CD2 HIS A 48 -13.606 -7.954 -8.680 1.00 0.00 C ATOM 678 CE1 HIS A 48 -14.311 -6.446 -10.120 1.00 0.00 C ATOM 679 NE2 HIS A 48 -13.207 -6.983 -9.570 1.00 0.00 N ATOM 0 H HIS A 48 -14.927 -8.181 -5.649 1.00 0.00 H new ATOM 0 HA HIS A 48 -17.288 -7.454 -7.276 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -15.236 -9.694 -7.478 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -16.553 -9.408 -8.599 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -12.965 -8.568 -8.064 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.307 -5.650 -10.850 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -12.244 -6.717 -9.776 1.00 0.00 H new ATOM 687 N LEU A 49 -18.879 -9.055 -6.279 1.00 0.00 N ATOM 688 CA LEU A 49 -19.965 -9.710 -5.527 1.00 0.00 C ATOM 689 C LEU A 49 -21.013 -10.321 -6.481 1.00 0.00 C ATOM 690 O LEU A 49 -21.026 -10.027 -7.678 1.00 0.00 O ATOM 691 CB LEU A 49 -20.629 -8.668 -4.595 1.00 0.00 C ATOM 692 CG LEU A 49 -19.720 -7.995 -3.541 1.00 0.00 C ATOM 693 CD1 LEU A 49 -20.509 -6.908 -2.795 1.00 0.00 C ATOM 694 CD2 LEU A 49 -19.169 -9.002 -2.522 1.00 0.00 C ATOM 0 H LEU A 49 -19.237 -8.473 -7.036 1.00 0.00 H new ATOM 0 HA LEU A 49 -19.546 -10.523 -4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -21.065 -7.886 -5.216 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -21.452 -9.156 -4.072 1.00 0.00 H new ATOM 0 HG LEU A 49 -18.875 -7.558 -4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -19.865 -6.436 -2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -20.855 -6.157 -3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -21.367 -7.359 -2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -18.536 -8.482 -1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -19.997 -9.480 -1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -18.582 -9.760 -3.040 1.00 0.00 H new ATOM 786 N ALA A 54 -20.302 -4.310 -7.992 1.00 0.00 N ATOM 787 CA ALA A 54 -18.915 -4.193 -7.540 1.00 0.00 C ATOM 788 C ALA A 54 -18.684 -2.901 -6.734 1.00 0.00 C ATOM 789 O ALA A 54 -19.104 -1.822 -7.159 1.00 0.00 O ATOM 790 CB ALA A 54 -17.978 -4.264 -8.749 1.00 0.00 C ATOM 0 HA ALA A 54 -18.698 -5.024 -6.869 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -16.944 -4.177 -8.414 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -18.115 -5.217 -9.260 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -18.207 -3.449 -9.435 1.00 0.00 H new ATOM 796 N VAL A 55 -17.984 -3.006 -5.601 1.00 0.00 N ATOM 797 CA VAL A 55 -17.795 -1.903 -4.636 1.00 0.00 C ATOM 798 C VAL A 55 -16.356 -1.395 -4.680 1.00 0.00 C ATOM 799 O VAL A 55 -15.426 -2.195 -4.715 1.00 0.00 O ATOM 800 CB VAL A 55 -18.152 -2.300 -3.183 1.00 0.00 C ATOM 801 CG1 VAL A 55 -18.222 -1.062 -2.271 1.00 0.00 C ATOM 802 CG2 VAL A 55 -19.507 -3.009 -3.074 1.00 0.00 C ATOM 0 H VAL A 55 -17.523 -3.871 -5.318 1.00 0.00 H new ATOM 0 HA VAL A 55 -18.483 -1.114 -4.938 1.00 0.00 H new ATOM 0 HB VAL A 55 -17.359 -2.979 -2.871 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -18.475 -1.371 -1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -17.255 -0.558 -2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -18.986 -0.379 -2.643 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -19.702 -3.263 -2.032 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -20.293 -2.349 -3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -19.490 -3.920 -3.672 1.00 0.00 H new ATOM 812 N ARG A 56 -16.181 -0.069 -4.683 1.00 0.00 N ATOM 813 CA ARG A 56 -14.898 0.604 -4.927 1.00 0.00 C ATOM 814 C ARG A 56 -14.446 1.498 -3.760 1.00 0.00 C ATOM 815 O ARG A 56 -15.263 2.216 -3.177 1.00 0.00 O ATOM 816 CB ARG A 56 -15.052 1.471 -6.183 1.00 0.00 C ATOM 817 CG ARG A 56 -15.307 0.662 -7.465 1.00 0.00 C ATOM 818 CD ARG A 56 -15.584 1.631 -8.616 1.00 0.00 C ATOM 819 NE ARG A 56 -15.695 0.930 -9.908 1.00 0.00 N ATOM 820 CZ ARG A 56 -15.981 1.493 -11.077 1.00 0.00 C ATOM 821 NH1 ARG A 56 -16.200 2.787 -11.195 1.00 0.00 N ATOM 822 NH2 ARG A 56 -16.054 0.750 -12.160 1.00 0.00 N ATOM 0 H ARG A 56 -16.946 0.583 -4.512 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.137 -0.167 -5.046 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -15.877 2.168 -6.034 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -14.150 2.068 -6.314 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.443 0.040 -7.696 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -16.155 -0.009 -7.325 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -16.507 2.176 -8.418 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -14.783 2.369 -8.670 1.00 0.00 H new ATOM 0 HE ARG A 56 -15.538 -0.078 -9.904 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -16.152 3.389 -10.373 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -16.417 3.186 -12.108 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.891 -0.255 -12.101 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -16.273 1.179 -13.059 1.00 0.00 H new ATOM 836 N TRP A 57 -13.135 1.519 -3.486 1.00 0.00 N ATOM 837 CA TRP A 57 -12.487 2.407 -2.506 1.00 0.00 C ATOM 838 C TRP A 57 -11.114 2.900 -3.013 1.00 0.00 C ATOM 839 O TRP A 57 -10.185 2.090 -3.101 1.00 0.00 O ATOM 840 CB TRP A 57 -12.304 1.680 -1.165 1.00 0.00 C ATOM 841 CG TRP A 57 -13.561 1.223 -0.498 1.00 0.00 C ATOM 842 CD1 TRP A 57 -14.351 1.952 0.325 1.00 0.00 C ATOM 843 CD2 TRP A 57 -14.189 -0.085 -0.603 1.00 0.00 C ATOM 844 NE1 TRP A 57 -15.419 1.179 0.741 1.00 0.00 N ATOM 845 CE2 TRP A 57 -15.354 -0.091 0.221 1.00 0.00 C ATOM 846 CE3 TRP A 57 -13.880 -1.268 -1.307 1.00 0.00 C ATOM 847 CZ2 TRP A 57 -16.162 -1.224 0.357 1.00 0.00 C ATOM 848 CZ3 TRP A 57 -14.705 -2.401 -1.204 1.00 0.00 C ATOM 849 CH2 TRP A 57 -15.845 -2.372 -0.383 1.00 0.00 C ATOM 0 H TRP A 57 -12.473 0.900 -3.954 1.00 0.00 H new ATOM 0 HA TRP A 57 -13.136 3.272 -2.368 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -11.665 0.812 -1.328 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -11.773 2.344 -0.483 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -14.174 2.978 0.612 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -16.162 1.510 1.357 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -13.000 -1.303 -1.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -17.015 -1.215 1.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -14.462 -3.296 -1.757 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -16.483 -3.242 -0.321 1.00 0.00 H new ATOM 860 N PRO A 58 -10.943 4.205 -3.312 1.00 0.00 N ATOM 861 CA PRO A 58 -9.636 4.769 -3.629 1.00 0.00 C ATOM 862 C PRO A 58 -8.754 4.796 -2.384 1.00 0.00 C ATOM 863 O PRO A 58 -9.238 4.961 -1.265 1.00 0.00 O ATOM 864 CB PRO A 58 -9.902 6.179 -4.157 1.00 0.00 C ATOM 865 CG PRO A 58 -11.199 6.574 -3.461 1.00 0.00 C ATOM 866 CD PRO A 58 -11.957 5.254 -3.325 1.00 0.00 C ATOM 0 HA PRO A 58 -9.105 4.172 -4.371 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.089 6.861 -3.910 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.008 6.189 -5.242 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.009 7.028 -2.488 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.762 7.300 -4.047 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -12.548 5.236 -2.409 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -12.651 5.116 -4.154 1.00 0.00 H new ATOM 874 N TYR A 59 -7.442 4.681 -2.586 1.00 0.00 N ATOM 875 CA TYR A 59 -6.459 4.673 -1.498 1.00 0.00 C ATOM 876 C TYR A 59 -6.407 5.993 -0.699 1.00 0.00 C ATOM 877 O TYR A 59 -5.993 5.998 0.462 1.00 0.00 O ATOM 878 CB TYR A 59 -5.087 4.321 -2.079 1.00 0.00 C ATOM 879 CG TYR A 59 -5.020 2.986 -2.802 1.00 0.00 C ATOM 880 CD1 TYR A 59 -5.344 1.797 -2.121 1.00 0.00 C ATOM 881 CD2 TYR A 59 -4.627 2.927 -4.153 1.00 0.00 C ATOM 882 CE1 TYR A 59 -5.292 0.557 -2.779 1.00 0.00 C ATOM 883 CE2 TYR A 59 -4.557 1.687 -4.816 1.00 0.00 C ATOM 884 CZ TYR A 59 -4.895 0.496 -4.132 1.00 0.00 C ATOM 885 OH TYR A 59 -4.838 -0.709 -4.762 1.00 0.00 O ATOM 0 H TYR A 59 -7.027 4.590 -3.513 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.769 3.918 -0.775 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.790 5.108 -2.772 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.357 4.316 -1.270 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.636 1.839 -1.082 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.379 3.835 -4.682 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.555 -0.348 -2.251 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.245 1.645 -5.849 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.611 -0.574 -5.706 1.00 0.00 H new ATOM 895 N LEU A 60 -6.912 7.089 -1.284 1.00 0.00 N ATOM 896 CA LEU A 60 -7.138 8.378 -0.616 1.00 0.00 C ATOM 897 C LEU A 60 -8.268 8.327 0.431 1.00 0.00 C ATOM 898 O LEU A 60 -8.195 9.041 1.431 1.00 0.00 O ATOM 899 CB LEU A 60 -7.442 9.448 -1.676 1.00 0.00 C ATOM 900 CG LEU A 60 -6.153 10.004 -2.308 1.00 0.00 C ATOM 901 CD1 LEU A 60 -6.502 10.704 -3.619 1.00 0.00 C ATOM 902 CD2 LEU A 60 -5.446 11.008 -1.380 1.00 0.00 C ATOM 0 H LEU A 60 -7.183 7.102 -2.267 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.228 8.629 -0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.074 9.020 -2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.005 10.263 -1.220 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.476 9.167 -2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.594 11.101 -4.073 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.966 9.991 -4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.196 11.521 -3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.541 11.376 -1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.113 11.845 -1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.182 10.515 -0.444 1.00 0.00 H new ATOM 914 N CYS A 61 -9.294 7.487 0.228 1.00 0.00 N ATOM 915 CA CYS A 61 -10.430 7.338 1.160 1.00 0.00 C ATOM 916 C CYS A 61 -10.227 6.264 2.247 1.00 0.00 C ATOM 917 O CYS A 61 -11.053 6.170 3.161 1.00 0.00 O ATOM 918 CB CYS A 61 -11.715 7.084 0.358 1.00 0.00 C ATOM 919 SG CYS A 61 -12.168 8.591 -0.548 1.00 0.00 S ATOM 0 H CYS A 61 -9.362 6.886 -0.593 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.509 8.275 1.711 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.565 6.259 -0.338 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.524 6.792 1.028 1.00 0.00 H new ATOM 0 HG CYS A 61 -13.254 8.378 -1.229 1.00 0.00 H new ATOM 925 N LEU A 62 -9.144 5.479 2.182 1.00 0.00 N ATOM 926 CA LEU A 62 -8.771 4.534 3.238 1.00 0.00 C ATOM 927 C LEU A 62 -8.189 5.301 4.431 1.00 0.00 C ATOM 928 O LEU A 62 -7.146 5.951 4.327 1.00 0.00 O ATOM 929 CB LEU A 62 -7.768 3.488 2.716 1.00 0.00 C ATOM 930 CG LEU A 62 -8.279 2.584 1.577 1.00 0.00 C ATOM 931 CD1 LEU A 62 -7.179 1.572 1.229 1.00 0.00 C ATOM 932 CD2 LEU A 62 -9.567 1.829 1.933 1.00 0.00 C ATOM 0 H LEU A 62 -8.500 5.483 1.391 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.663 3.998 3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.875 4.009 2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.464 2.855 3.550 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.517 3.227 0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.523 0.923 0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.283 2.104 0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.948 0.969 2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.872 1.211 1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.389 1.194 2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.356 2.545 2.163 1.00 0.00 H new ATOM 944 N ARG A 63 -8.864 5.205 5.576 1.00 0.00 N ATOM 945 CA ARG A 63 -8.471 5.822 6.848 1.00 0.00 C ATOM 946 C ARG A 63 -7.390 5.007 7.584 1.00 0.00 C ATOM 947 O ARG A 63 -6.527 5.594 8.240 1.00 0.00 O ATOM 948 CB ARG A 63 -9.731 5.960 7.714 1.00 0.00 C ATOM 949 CG ARG A 63 -10.698 7.070 7.259 1.00 0.00 C ATOM 950 CD ARG A 63 -10.504 8.369 8.047 1.00 0.00 C ATOM 951 NE ARG A 63 -10.865 8.165 9.460 1.00 0.00 N ATOM 952 CZ ARG A 63 -10.694 8.993 10.477 1.00 0.00 C ATOM 953 NH1 ARG A 63 -10.207 10.209 10.331 1.00 0.00 N ATOM 954 NH2 ARG A 63 -11.024 8.565 11.673 1.00 0.00 N ATOM 0 H ARG A 63 -9.733 4.676 5.649 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.031 6.799 6.649 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.263 5.009 7.714 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -9.430 6.157 8.743 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.549 7.266 6.197 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.725 6.725 7.378 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.467 8.697 7.973 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.120 9.159 7.617 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.303 7.271 9.683 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.945 10.546 9.405 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.092 10.814 11.145 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.398 7.623 11.793 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.907 9.174 12.483 1.00 0.00 H new ATOM 968 N ARG A 64 -7.418 3.671 7.446 1.00 0.00 N ATOM 969 CA ARG A 64 -6.428 2.705 7.957 1.00 0.00 C ATOM 970 C ARG A 64 -6.640 1.325 7.312 1.00 0.00 C ATOM 971 O ARG A 64 -7.738 1.039 6.830 1.00 0.00 O ATOM 972 CB ARG A 64 -6.438 2.649 9.506 1.00 0.00 C ATOM 973 CG ARG A 64 -7.415 1.633 10.127 1.00 0.00 C ATOM 974 CD ARG A 64 -7.396 1.680 11.659 1.00 0.00 C ATOM 975 NE ARG A 64 -8.303 2.710 12.186 1.00 0.00 N ATOM 976 CZ ARG A 64 -8.308 3.236 13.404 1.00 0.00 C ATOM 977 NH1 ARG A 64 -7.438 2.911 14.335 1.00 0.00 N ATOM 978 NH2 ARG A 64 -9.229 4.122 13.700 1.00 0.00 N ATOM 0 H ARG A 64 -8.177 3.208 6.945 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.432 3.045 7.672 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.431 2.415 9.850 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.682 3.641 9.886 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.425 1.837 9.771 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.155 0.629 9.792 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.683 0.706 12.056 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.381 1.879 12.004 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.010 3.061 11.540 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.712 2.222 14.137 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.489 3.348 15.255 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.920 4.392 13.000 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.254 4.541 14.630 1.00 0.00 H new ATOM 992 N TYR A 65 -5.613 0.473 7.322 1.00 0.00 N ATOM 993 CA TYR A 65 -5.639 -0.888 6.760 1.00 0.00 C ATOM 994 C TYR A 65 -4.647 -1.815 7.486 1.00 0.00 C ATOM 995 O TYR A 65 -3.508 -1.431 7.759 1.00 0.00 O ATOM 996 CB TYR A 65 -5.379 -0.862 5.242 1.00 0.00 C ATOM 997 CG TYR A 65 -3.990 -0.404 4.824 1.00 0.00 C ATOM 998 CD1 TYR A 65 -3.713 0.973 4.720 1.00 0.00 C ATOM 999 CD2 TYR A 65 -2.975 -1.345 4.547 1.00 0.00 C ATOM 1000 CE1 TYR A 65 -2.424 1.408 4.363 1.00 0.00 C ATOM 1001 CE2 TYR A 65 -1.683 -0.916 4.185 1.00 0.00 C ATOM 1002 CZ TYR A 65 -1.405 0.469 4.097 1.00 0.00 C ATOM 1003 OH TYR A 65 -0.158 0.904 3.769 1.00 0.00 O ATOM 0 H TYR A 65 -4.711 0.714 7.733 1.00 0.00 H new ATOM 0 HA TYR A 65 -6.637 -1.295 6.919 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.547 -1.863 4.845 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -6.114 -0.206 4.776 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.491 1.696 4.915 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.190 -2.401 4.613 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -2.213 2.465 4.292 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.909 -1.640 3.976 1.00 0.00 H new ATOM 0 HH TYR A 65 0.011 1.768 4.200 1.00 0.00 H new ATOM 1013 N GLY A 66 -5.096 -3.025 7.835 1.00 0.00 N ATOM 1014 CA GLY A 66 -4.346 -3.985 8.650 1.00 0.00 C ATOM 1015 C GLY A 66 -4.678 -5.443 8.347 1.00 0.00 C ATOM 1016 O GLY A 66 -5.571 -5.748 7.553 1.00 0.00 O ATOM 0 H GLY A 66 -6.012 -3.372 7.552 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.279 -3.825 8.493 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.546 -3.788 9.703 1.00 0.00 H new ATOM 1020 N TYR A 67 -3.948 -6.340 9.009 1.00 0.00 N ATOM 1021 CA TYR A 67 -4.001 -7.786 8.780 1.00 0.00 C ATOM 1022 C TYR A 67 -3.772 -8.622 10.059 1.00 0.00 C ATOM 1023 O TYR A 67 -3.196 -8.156 11.047 1.00 0.00 O ATOM 1024 CB TYR A 67 -2.958 -8.155 7.705 1.00 0.00 C ATOM 1025 CG TYR A 67 -1.545 -8.316 8.243 1.00 0.00 C ATOM 1026 CD1 TYR A 67 -0.798 -7.187 8.630 1.00 0.00 C ATOM 1027 CD2 TYR A 67 -0.999 -9.604 8.415 1.00 0.00 C ATOM 1028 CE1 TYR A 67 0.487 -7.336 9.182 1.00 0.00 C ATOM 1029 CE2 TYR A 67 0.285 -9.762 8.969 1.00 0.00 C ATOM 1030 CZ TYR A 67 1.035 -8.628 9.352 1.00 0.00 C ATOM 1031 OH TYR A 67 2.282 -8.770 9.885 1.00 0.00 O ATOM 0 H TYR A 67 -3.286 -6.076 9.738 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.009 -8.028 8.443 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.261 -9.085 7.224 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.957 -7.384 6.935 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.215 -6.199 8.502 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.568 -10.473 8.120 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.054 -6.465 9.475 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.697 -10.751 9.101 1.00 0.00 H new ATOM 0 HH TYR A 67 2.510 -9.722 9.935 1.00 0.00 H new ATOM 1041 N ASP A 68 -4.170 -9.891 9.997 1.00 0.00 N ATOM 1042 CA ASP A 68 -3.921 -10.948 10.981 1.00 0.00 C ATOM 1043 C ASP A 68 -3.759 -12.303 10.248 1.00 0.00 C ATOM 1044 O ASP A 68 -3.825 -12.365 9.018 1.00 0.00 O ATOM 1045 CB ASP A 68 -5.075 -10.959 12.010 1.00 0.00 C ATOM 1046 CG ASP A 68 -4.688 -11.477 13.408 1.00 0.00 C ATOM 1047 OD1 ASP A 68 -3.722 -12.266 13.547 1.00 0.00 O ATOM 1048 OD2 ASP A 68 -5.386 -11.103 14.378 1.00 0.00 O ATOM 0 H ASP A 68 -4.713 -10.234 9.204 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.996 -10.765 11.527 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.465 -9.946 12.108 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.885 -11.576 11.620 1.00 0.00 H new ATOM 1053 N SER A 69 -3.554 -13.397 10.977 1.00 0.00 N ATOM 1054 CA SER A 69 -3.232 -14.729 10.432 1.00 0.00 C ATOM 1055 C SER A 69 -4.317 -15.354 9.525 1.00 0.00 C ATOM 1056 O SER A 69 -4.037 -16.321 8.812 1.00 0.00 O ATOM 1057 CB SER A 69 -2.923 -15.690 11.590 1.00 0.00 C ATOM 1058 OG SER A 69 -1.845 -15.223 12.395 1.00 0.00 O ATOM 0 H SER A 69 -3.607 -13.389 11.996 1.00 0.00 H new ATOM 0 HA SER A 69 -2.367 -14.577 9.786 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.812 -15.811 12.209 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.677 -16.674 11.190 1.00 0.00 H new ATOM 0 HG SER A 69 -1.680 -15.860 13.121 1.00 0.00 H new ATOM 1064 N ASN A 70 -5.540 -14.806 9.522 1.00 0.00 N ATOM 1065 CA ASN A 70 -6.671 -15.245 8.686 1.00 0.00 C ATOM 1066 C ASN A 70 -7.711 -14.137 8.391 1.00 0.00 C ATOM 1067 O ASN A 70 -8.819 -14.431 7.931 1.00 0.00 O ATOM 1068 CB ASN A 70 -7.333 -16.486 9.320 1.00 0.00 C ATOM 1069 CG ASN A 70 -8.154 -16.192 10.580 1.00 0.00 C ATOM 1070 OD1 ASN A 70 -7.964 -15.201 11.278 1.00 0.00 O ATOM 1071 ND2 ASN A 70 -9.104 -17.051 10.911 1.00 0.00 N ATOM 0 H ASN A 70 -5.780 -14.017 10.122 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.258 -15.504 7.711 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -7.982 -16.955 8.580 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.557 -17.210 9.568 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.673 -16.887 11.742 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.268 -17.877 10.335 1.00 0.00 H new ATOM 1078 N LEU A 71 -7.384 -12.867 8.672 1.00 0.00 N ATOM 1079 CA LEU A 71 -8.313 -11.740 8.691 1.00 0.00 C ATOM 1080 C LEU A 71 -7.643 -10.488 8.108 1.00 0.00 C ATOM 1081 O LEU A 71 -6.534 -10.135 8.498 1.00 0.00 O ATOM 1082 CB LEU A 71 -8.738 -11.563 10.170 1.00 0.00 C ATOM 1083 CG LEU A 71 -10.000 -10.747 10.487 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -9.794 -9.232 10.404 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -11.163 -11.184 9.601 1.00 0.00 C ATOM 0 H LEU A 71 -6.429 -12.592 8.900 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.193 -11.915 8.072 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.873 -12.557 10.595 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.905 -11.100 10.699 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.240 -10.960 11.529 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.729 -8.724 10.641 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.026 -8.930 11.116 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.480 -8.962 9.396 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.046 -10.593 9.843 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.900 -11.032 8.554 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.375 -12.239 9.773 1.00 0.00 H new ATOM 1097 N PHE A 72 -8.329 -9.823 7.184 1.00 0.00 N ATOM 1098 CA PHE A 72 -7.951 -8.540 6.593 1.00 0.00 C ATOM 1099 C PHE A 72 -9.070 -7.517 6.845 1.00 0.00 C ATOM 1100 O PHE A 72 -10.249 -7.857 6.792 1.00 0.00 O ATOM 1101 CB PHE A 72 -7.700 -8.733 5.088 1.00 0.00 C ATOM 1102 CG PHE A 72 -7.544 -7.422 4.346 1.00 0.00 C ATOM 1103 CD1 PHE A 72 -6.421 -6.611 4.592 1.00 0.00 C ATOM 1104 CD2 PHE A 72 -8.575 -6.957 3.506 1.00 0.00 C ATOM 1105 CE1 PHE A 72 -6.358 -5.315 4.055 1.00 0.00 C ATOM 1106 CE2 PHE A 72 -8.495 -5.671 2.947 1.00 0.00 C ATOM 1107 CZ PHE A 72 -7.404 -4.840 3.243 1.00 0.00 C ATOM 0 H PHE A 72 -9.207 -10.180 6.807 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.035 -8.165 7.050 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -6.801 -9.333 4.948 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -8.528 -9.294 4.655 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.607 -6.986 5.194 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -9.425 -7.588 3.292 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -5.507 -4.684 4.265 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -9.275 -5.321 2.288 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.367 -3.836 2.847 1.00 0.00 H new ATOM 1117 N SER A 73 -8.730 -6.261 7.117 1.00 0.00 N ATOM 1118 CA SER A 73 -9.695 -5.202 7.417 1.00 0.00 C ATOM 1119 C SER A 73 -9.181 -3.801 7.053 1.00 0.00 C ATOM 1120 O SER A 73 -7.971 -3.547 7.023 1.00 0.00 O ATOM 1121 CB SER A 73 -10.061 -5.270 8.902 1.00 0.00 C ATOM 1122 OG SER A 73 -11.166 -4.432 9.178 1.00 0.00 O ATOM 0 H SER A 73 -7.761 -5.943 7.136 1.00 0.00 H new ATOM 0 HA SER A 73 -10.577 -5.371 6.800 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.298 -6.298 9.178 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.207 -4.967 9.508 1.00 0.00 H new ATOM 0 HG SER A 73 -11.745 -4.384 8.389 1.00 0.00 H new ATOM 1128 N PHE A 74 -10.117 -2.877 6.811 1.00 0.00 N ATOM 1129 CA PHE A 74 -9.853 -1.477 6.484 1.00 0.00 C ATOM 1130 C PHE A 74 -10.980 -0.550 6.970 1.00 0.00 C ATOM 1131 O PHE A 74 -12.136 -0.961 7.093 1.00 0.00 O ATOM 1132 CB PHE A 74 -9.581 -1.331 4.974 1.00 0.00 C ATOM 1133 CG PHE A 74 -10.738 -1.670 4.044 1.00 0.00 C ATOM 1134 CD1 PHE A 74 -11.646 -0.667 3.654 1.00 0.00 C ATOM 1135 CD2 PHE A 74 -10.883 -2.974 3.529 1.00 0.00 C ATOM 1136 CE1 PHE A 74 -12.689 -0.966 2.758 1.00 0.00 C ATOM 1137 CE2 PHE A 74 -11.913 -3.270 2.615 1.00 0.00 C ATOM 1138 CZ PHE A 74 -12.822 -2.266 2.238 1.00 0.00 C ATOM 0 H PHE A 74 -11.113 -3.094 6.839 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.957 -1.161 7.019 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.276 -0.303 4.779 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.736 -1.969 4.715 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.542 0.335 4.044 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -10.200 -3.751 3.837 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -13.389 -0.196 2.469 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -12.004 -4.265 2.205 1.00 0.00 H new ATOM 0 HZ PHE A 74 -13.622 -2.493 1.549 1.00 0.00 H new ATOM 1148 N GLU A 75 -10.635 0.712 7.244 1.00 0.00 N ATOM 1149 CA GLU A 75 -11.566 1.788 7.603 1.00 0.00 C ATOM 1150 C GLU A 75 -11.715 2.752 6.419 1.00 0.00 C ATOM 1151 O GLU A 75 -10.730 3.083 5.758 1.00 0.00 O ATOM 1152 CB GLU A 75 -11.052 2.531 8.849 1.00 0.00 C ATOM 1153 CG GLU A 75 -12.035 3.597 9.380 1.00 0.00 C ATOM 1154 CD GLU A 75 -11.424 4.481 10.476 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -10.631 3.971 11.295 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -11.719 5.699 10.515 1.00 0.00 O ATOM 0 H GLU A 75 -9.664 1.024 7.221 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.543 1.364 7.835 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.854 1.806 9.638 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.103 3.010 8.610 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.362 4.227 8.552 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -12.923 3.101 9.773 1.00 0.00 H new ATOM 1163 N SER A 76 -12.928 3.242 6.170 1.00 0.00 N ATOM 1164 CA SER A 76 -13.224 4.216 5.107 1.00 0.00 C ATOM 1165 C SER A 76 -13.927 5.470 5.650 1.00 0.00 C ATOM 1166 O SER A 76 -14.684 5.400 6.621 1.00 0.00 O ATOM 1167 CB SER A 76 -14.101 3.577 4.024 1.00 0.00 C ATOM 1168 OG SER A 76 -13.459 2.450 3.454 1.00 0.00 O ATOM 0 H SER A 76 -13.751 2.972 6.708 1.00 0.00 H new ATOM 0 HA SER A 76 -12.268 4.519 4.681 1.00 0.00 H new ATOM 0 HB2 SER A 76 -15.057 3.277 4.454 1.00 0.00 H new ATOM 0 HB3 SER A 76 -14.317 4.309 3.246 1.00 0.00 H new ATOM 0 HG SER A 76 -13.742 2.349 2.521 1.00 0.00 H new ATOM 1174 N GLY A 77 -13.680 6.624 5.013 1.00 0.00 N ATOM 1175 CA GLY A 77 -14.303 7.913 5.360 1.00 0.00 C ATOM 1176 C GLY A 77 -15.707 8.074 4.762 1.00 0.00 C ATOM 1177 O GLY A 77 -16.081 7.362 3.826 1.00 0.00 O ATOM 0 H GLY A 77 -13.031 6.691 4.229 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.362 8.002 6.445 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.667 8.725 5.008 1.00 0.00 H new ATOM 1181 N ARG A 78 -16.488 9.046 5.259 1.00 0.00 N ATOM 1182 CA ARG A 78 -17.910 9.253 4.890 1.00 0.00 C ATOM 1183 C ARG A 78 -18.172 9.616 3.415 1.00 0.00 C ATOM 1184 O ARG A 78 -19.310 9.529 2.954 1.00 0.00 O ATOM 1185 CB ARG A 78 -18.567 10.253 5.869 1.00 0.00 C ATOM 1186 CG ARG A 78 -18.281 11.751 5.630 1.00 0.00 C ATOM 1187 CD ARG A 78 -19.354 12.426 4.757 1.00 0.00 C ATOM 1188 NE ARG A 78 -19.119 13.872 4.613 1.00 0.00 N ATOM 1189 CZ ARG A 78 -19.875 14.719 3.924 1.00 0.00 C ATOM 1190 NH1 ARG A 78 -20.949 14.325 3.267 1.00 0.00 N ATOM 1191 NH2 ARG A 78 -19.551 15.994 3.891 1.00 0.00 N ATOM 0 H ARG A 78 -16.150 9.725 5.941 1.00 0.00 H new ATOM 0 HA ARG A 78 -18.387 8.278 4.988 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.646 10.103 5.834 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -18.243 10.002 6.879 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -18.223 12.264 6.590 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -17.308 11.860 5.152 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -19.365 11.961 3.771 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -20.337 12.261 5.198 1.00 0.00 H new ATOM 0 HE ARG A 78 -18.302 14.258 5.085 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -21.222 13.342 3.278 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -21.507 15.003 2.748 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -18.726 16.324 4.392 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -20.125 16.653 3.365 1.00 0.00 H new ATOM 1205 N ARG A 79 -17.124 10.013 2.685 1.00 0.00 N ATOM 1206 CA ARG A 79 -17.163 10.480 1.290 1.00 0.00 C ATOM 1207 C ARG A 79 -17.178 9.367 0.228 1.00 0.00 C ATOM 1208 O ARG A 79 -17.475 9.640 -0.936 1.00 0.00 O ATOM 1209 CB ARG A 79 -15.991 11.444 1.060 1.00 0.00 C ATOM 1210 CG ARG A 79 -14.610 10.771 1.157 1.00 0.00 C ATOM 1211 CD ARG A 79 -13.465 11.778 1.012 1.00 0.00 C ATOM 1212 NE ARG A 79 -13.338 12.654 2.194 1.00 0.00 N ATOM 1213 CZ ARG A 79 -12.390 13.563 2.398 1.00 0.00 C ATOM 1214 NH1 ARG A 79 -11.441 13.794 1.514 1.00 0.00 N ATOM 1215 NH2 ARG A 79 -12.386 14.257 3.515 1.00 0.00 N ATOM 0 H ARG A 79 -16.178 10.019 3.067 1.00 0.00 H new ATOM 0 HA ARG A 79 -18.119 10.986 1.158 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -16.095 11.900 0.076 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -16.045 12.250 1.792 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -14.523 10.260 2.116 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -14.523 10.010 0.381 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.529 11.241 0.858 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.632 12.389 0.125 1.00 0.00 H new ATOM 0 HE ARG A 79 -14.044 12.552 2.923 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -11.419 13.268 0.641 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -10.729 14.499 1.703 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -13.107 14.096 4.218 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.662 14.956 3.678 1.00 0.00 H new ATOM 1229 N CYS A 80 -16.837 8.128 0.601 1.00 0.00 N ATOM 1230 CA CYS A 80 -16.786 6.983 -0.327 1.00 0.00 C ATOM 1231 C CYS A 80 -18.182 6.382 -0.618 1.00 0.00 C ATOM 1232 O CYS A 80 -19.195 6.854 -0.099 1.00 0.00 O ATOM 1233 CB CYS A 80 -15.770 5.952 0.201 1.00 0.00 C ATOM 1234 SG CYS A 80 -16.460 5.033 1.606 1.00 0.00 S ATOM 0 H CYS A 80 -16.587 7.886 1.560 1.00 0.00 H new ATOM 0 HA CYS A 80 -16.442 7.332 -1.300 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -15.500 5.259 -0.596 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -14.855 6.459 0.506 1.00 0.00 H new ATOM 0 HG CYS A 80 -16.422 5.776 2.672 1.00 0.00 H new ATOM 1240 N GLN A 81 -18.240 5.328 -1.445 1.00 0.00 N ATOM 1241 CA GLN A 81 -19.487 4.664 -1.855 1.00 0.00 C ATOM 1242 C GLN A 81 -20.299 4.129 -0.662 1.00 0.00 C ATOM 1243 O GLN A 81 -21.519 4.309 -0.614 1.00 0.00 O ATOM 1244 CB GLN A 81 -19.141 3.524 -2.842 1.00 0.00 C ATOM 1245 CG GLN A 81 -20.382 2.711 -3.259 1.00 0.00 C ATOM 1246 CD GLN A 81 -20.128 1.646 -4.330 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -19.064 1.545 -4.931 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -21.117 0.817 -4.587 1.00 0.00 N ATOM 0 H GLN A 81 -17.407 4.905 -1.855 1.00 0.00 H new ATOM 0 HA GLN A 81 -20.123 5.404 -2.341 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -18.671 3.946 -3.730 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.411 2.858 -2.382 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -20.793 2.224 -2.374 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -21.143 3.400 -3.626 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -22.000 0.905 -4.084 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -21.001 0.086 -5.289 1.00 0.00 H new ATOM 1257 N THR A 82 -19.630 3.453 0.279 1.00 0.00 N ATOM 1258 CA THR A 82 -20.247 2.774 1.434 1.00 0.00 C ATOM 1259 C THR A 82 -20.399 3.664 2.657 1.00 0.00 C ATOM 1260 O THR A 82 -21.198 3.369 3.547 1.00 0.00 O ATOM 1261 CB THR A 82 -19.426 1.540 1.803 1.00 0.00 C ATOM 1262 OG1 THR A 82 -18.068 1.895 1.975 1.00 0.00 O ATOM 1263 CG2 THR A 82 -19.538 0.505 0.688 1.00 0.00 C ATOM 0 H THR A 82 -18.615 3.358 0.261 1.00 0.00 H new ATOM 0 HA THR A 82 -21.254 2.494 1.124 1.00 0.00 H new ATOM 0 HB THR A 82 -19.809 1.123 2.735 1.00 0.00 H new ATOM 0 HG1 THR A 82 -17.723 1.482 2.794 1.00 0.00 H new ATOM 0 HG21 THR A 82 -18.953 -0.376 0.950 1.00 0.00 H new ATOM 0 HG22 THR A 82 -20.582 0.222 0.558 1.00 0.00 H new ATOM 0 HG23 THR A 82 -19.159 0.929 -0.242 1.00 0.00 H new ATOM 1271 N GLY A 83 -19.640 4.756 2.686 1.00 0.00 N ATOM 1272 CA GLY A 83 -19.611 5.747 3.760 1.00 0.00 C ATOM 1273 C GLY A 83 -18.692 5.335 4.911 1.00 0.00 C ATOM 1274 O GLY A 83 -17.847 4.449 4.775 1.00 0.00 O ATOM 0 H GLY A 83 -18.999 4.985 1.927 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -19.278 6.704 3.358 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -20.621 5.895 4.141 1.00 0.00 H new ATOM 1278 N GLN A 84 -18.857 6.013 6.047 1.00 0.00 N ATOM 1279 CA GLN A 84 -18.047 5.804 7.248 1.00 0.00 C ATOM 1280 C GLN A 84 -18.284 4.418 7.869 1.00 0.00 C ATOM 1281 O GLN A 84 -19.427 3.978 8.028 1.00 0.00 O ATOM 1282 CB GLN A 84 -18.267 6.948 8.258 1.00 0.00 C ATOM 1283 CG GLN A 84 -19.716 7.112 8.765 1.00 0.00 C ATOM 1284 CD GLN A 84 -19.905 8.293 9.726 1.00 0.00 C ATOM 1285 OE1 GLN A 84 -19.075 9.184 9.865 1.00 0.00 O ATOM 1286 NE2 GLN A 84 -21.018 8.353 10.431 1.00 0.00 N ATOM 0 H GLN A 84 -19.569 6.735 6.161 1.00 0.00 H new ATOM 0 HA GLN A 84 -16.998 5.825 6.954 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -17.616 6.783 9.116 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -17.953 7.884 7.796 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -20.378 7.242 7.909 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -20.022 6.194 9.267 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -21.724 7.623 10.333 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -21.173 9.129 11.074 1.00 0.00 H new ATOM 1295 N GLY A 85 -17.194 3.730 8.232 1.00 0.00 N ATOM 1296 CA GLY A 85 -17.224 2.405 8.849 1.00 0.00 C ATOM 1297 C GLY A 85 -15.936 1.619 8.638 1.00 0.00 C ATOM 1298 O GLY A 85 -15.038 2.025 7.896 1.00 0.00 O ATOM 0 H GLY A 85 -16.249 4.090 8.101 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -17.406 2.513 9.918 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -18.060 1.838 8.439 1.00 0.00 H new ATOM 1302 N ILE A 86 -15.868 0.473 9.309 1.00 0.00 N ATOM 1303 CA ILE A 86 -14.792 -0.519 9.194 1.00 0.00 C ATOM 1304 C ILE A 86 -15.380 -1.804 8.597 1.00 0.00 C ATOM 1305 O ILE A 86 -16.468 -2.220 8.998 1.00 0.00 O ATOM 1306 CB ILE A 86 -14.167 -0.758 10.588 1.00 0.00 C ATOM 1307 CG1 ILE A 86 -13.472 0.518 11.114 1.00 0.00 C ATOM 1308 CG2 ILE A 86 -13.194 -1.952 10.581 1.00 0.00 C ATOM 1309 CD1 ILE A 86 -13.193 0.471 12.620 1.00 0.00 C ATOM 0 H ILE A 86 -16.588 0.194 9.976 1.00 0.00 H new ATOM 0 HA ILE A 86 -13.998 -0.166 8.536 1.00 0.00 H new ATOM 0 HB ILE A 86 -14.982 -1.005 11.269 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.532 0.659 10.580 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -14.097 1.383 10.893 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -12.776 -2.087 11.579 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.728 -2.855 10.286 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.388 -1.760 9.873 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -12.704 1.395 12.928 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -14.133 0.360 13.161 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.543 -0.375 12.843 1.00 0.00 H new ATOM 1321 N PHE A 87 -14.658 -2.433 7.669 1.00 0.00 N ATOM 1322 CA PHE A 87 -15.099 -3.621 6.935 1.00 0.00 C ATOM 1323 C PHE A 87 -14.017 -4.712 6.986 1.00 0.00 C ATOM 1324 O PHE A 87 -12.881 -4.479 6.566 1.00 0.00 O ATOM 1325 CB PHE A 87 -15.423 -3.222 5.485 1.00 0.00 C ATOM 1326 CG PHE A 87 -16.466 -2.128 5.344 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -17.834 -2.441 5.460 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -16.072 -0.796 5.106 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -18.803 -1.433 5.322 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -17.042 0.215 4.982 1.00 0.00 C ATOM 1331 CZ PHE A 87 -18.407 -0.104 5.086 1.00 0.00 C ATOM 0 H PHE A 87 -13.725 -2.122 7.399 1.00 0.00 H new ATOM 0 HA PHE A 87 -15.998 -4.029 7.397 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -14.504 -2.893 4.999 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -15.769 -4.106 4.948 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -18.139 -3.458 5.656 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -15.024 -0.551 5.019 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -19.852 -1.679 5.397 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -16.738 1.236 4.807 1.00 0.00 H new ATOM 0 HZ PHE A 87 -19.152 0.671 4.985 1.00 0.00 H new ATOM 1341 N ALA A 88 -14.381 -5.899 7.490 1.00 0.00 N ATOM 1342 CA ALA A 88 -13.462 -7.008 7.758 1.00 0.00 C ATOM 1343 C ALA A 88 -13.824 -8.286 6.991 1.00 0.00 C ATOM 1344 O ALA A 88 -15.003 -8.619 6.801 1.00 0.00 O ATOM 1345 CB ALA A 88 -13.432 -7.273 9.264 1.00 0.00 C ATOM 0 H ALA A 88 -15.348 -6.118 7.728 1.00 0.00 H new ATOM 0 HA ALA A 88 -12.473 -6.716 7.404 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.751 -8.097 9.475 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.091 -6.378 9.784 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -14.433 -7.533 9.608 1.00 0.00 H new ATOM 1351 N PHE A 89 -12.786 -9.013 6.575 1.00 0.00 N ATOM 1352 CA PHE A 89 -12.896 -10.138 5.653 1.00 0.00 C ATOM 1353 C PHE A 89 -11.935 -11.274 6.003 1.00 0.00 C ATOM 1354 O PHE A 89 -10.720 -11.096 6.083 1.00 0.00 O ATOM 1355 CB PHE A 89 -12.642 -9.661 4.211 1.00 0.00 C ATOM 1356 CG PHE A 89 -13.458 -8.466 3.755 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -13.030 -7.162 4.071 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -14.643 -8.654 3.021 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -13.814 -6.057 3.707 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -15.418 -7.542 2.643 1.00 0.00 C ATOM 1361 CZ PHE A 89 -15.012 -6.246 3.003 1.00 0.00 C ATOM 0 H PHE A 89 -11.829 -8.831 6.877 1.00 0.00 H new ATOM 0 HA PHE A 89 -13.909 -10.532 5.741 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -11.585 -9.414 4.111 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -12.840 -10.492 3.534 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -12.097 -7.012 4.594 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -14.958 -9.650 2.748 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -13.494 -5.059 3.969 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -16.326 -7.685 2.076 1.00 0.00 H new ATOM 0 HZ PHE A 89 -15.622 -5.396 2.738 1.00 0.00 H new ATOM 1371 N LYS A 90 -12.495 -12.469 6.171 1.00 0.00 N ATOM 1372 CA LYS A 90 -11.748 -13.714 6.311 1.00 0.00 C ATOM 1373 C LYS A 90 -11.083 -14.124 4.982 1.00 0.00 C ATOM 1374 O LYS A 90 -11.732 -14.103 3.931 1.00 0.00 O ATOM 1375 CB LYS A 90 -12.706 -14.799 6.835 1.00 0.00 C ATOM 1376 CG LYS A 90 -12.676 -14.871 8.365 1.00 0.00 C ATOM 1377 CD LYS A 90 -13.486 -16.084 8.856 1.00 0.00 C ATOM 1378 CE LYS A 90 -13.225 -16.418 10.334 1.00 0.00 C ATOM 1379 NZ LYS A 90 -13.730 -15.379 11.268 1.00 0.00 N ATOM 0 H LYS A 90 -13.506 -12.601 6.215 1.00 0.00 H new ATOM 0 HA LYS A 90 -10.935 -13.578 7.025 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.720 -14.586 6.498 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.428 -15.766 6.417 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.646 -14.948 8.713 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.088 -13.954 8.788 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.549 -15.886 8.715 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.240 -16.951 8.244 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -13.696 -17.372 10.573 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.153 -16.545 10.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.379 -15.574 12.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.395 -14.444 10.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -14.770 -15.391 11.271 1.00 0.00 H new ATOM 1393 N CYS A 91 -9.808 -14.521 5.052 1.00 0.00 N ATOM 1394 CA CYS A 91 -8.979 -14.996 3.934 1.00 0.00 C ATOM 1395 C CYS A 91 -7.642 -15.577 4.428 1.00 0.00 C ATOM 1396 O CYS A 91 -7.035 -15.078 5.374 1.00 0.00 O ATOM 1397 CB CYS A 91 -8.773 -13.873 2.893 1.00 0.00 C ATOM 1398 SG CYS A 91 -8.120 -12.354 3.650 1.00 0.00 S ATOM 0 H CYS A 91 -9.298 -14.520 5.935 1.00 0.00 H new ATOM 0 HA CYS A 91 -9.510 -15.810 3.441 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -8.086 -14.217 2.120 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -9.722 -13.655 2.403 1.00 0.00 H new ATOM 0 HG CYS A 91 -8.162 -11.385 2.784 1.00 0.00 H new ATOM 1404 N SER A 92 -7.149 -16.618 3.763 1.00 0.00 N ATOM 1405 CA SER A 92 -5.881 -17.309 4.081 1.00 0.00 C ATOM 1406 C SER A 92 -4.617 -16.561 3.599 1.00 0.00 C ATOM 1407 O SER A 92 -3.494 -17.030 3.803 1.00 0.00 O ATOM 1408 CB SER A 92 -5.934 -18.718 3.472 1.00 0.00 C ATOM 1409 OG SER A 92 -6.238 -18.652 2.082 1.00 0.00 O ATOM 0 H SER A 92 -7.629 -17.025 2.960 1.00 0.00 H new ATOM 0 HA SER A 92 -5.794 -17.349 5.167 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.977 -19.219 3.617 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.687 -19.314 3.987 1.00 0.00 H new ATOM 0 HG SER A 92 -6.266 -19.558 1.710 1.00 0.00 H new ATOM 1415 N ARG A 93 -4.800 -15.388 2.975 1.00 0.00 N ATOM 1416 CA ARG A 93 -3.769 -14.566 2.321 1.00 0.00 C ATOM 1417 C ARG A 93 -3.882 -13.072 2.677 1.00 0.00 C ATOM 1418 O ARG A 93 -3.392 -12.208 1.950 1.00 0.00 O ATOM 1419 CB ARG A 93 -3.722 -14.883 0.808 1.00 0.00 C ATOM 1420 CG ARG A 93 -5.064 -14.861 0.054 1.00 0.00 C ATOM 1421 CD ARG A 93 -4.975 -15.537 -1.329 1.00 0.00 C ATOM 1422 NE ARG A 93 -3.984 -14.931 -2.250 1.00 0.00 N ATOM 1423 CZ ARG A 93 -2.757 -15.365 -2.518 1.00 0.00 C ATOM 1424 NH1 ARG A 93 -2.217 -16.388 -1.889 1.00 0.00 N ATOM 1425 NH2 ARG A 93 -2.041 -14.763 -3.442 1.00 0.00 N ATOM 0 H ARG A 93 -5.725 -14.962 2.909 1.00 0.00 H new ATOM 0 HA ARG A 93 -2.791 -14.838 2.719 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -3.052 -14.167 0.331 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -3.277 -15.870 0.681 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.822 -15.365 0.653 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -5.391 -13.828 -0.070 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -4.726 -16.589 -1.189 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -5.958 -15.502 -1.800 1.00 0.00 H new ATOM 0 HE ARG A 93 -4.278 -14.083 -2.734 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.744 -16.878 -1.166 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.272 -16.690 -2.124 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -2.428 -13.967 -3.949 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -1.099 -15.092 -3.652 1.00 0.00 H new ATOM 1439 N ALA A 94 -4.476 -12.767 3.837 1.00 0.00 N ATOM 1440 CA ALA A 94 -4.589 -11.423 4.417 1.00 0.00 C ATOM 1441 C ALA A 94 -3.256 -10.652 4.471 1.00 0.00 C ATOM 1442 O ALA A 94 -3.219 -9.466 4.148 1.00 0.00 O ATOM 1443 CB ALA A 94 -5.172 -11.574 5.825 1.00 0.00 C ATOM 0 H ALA A 94 -4.910 -13.481 4.422 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.237 -10.830 3.771 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.269 -10.591 6.286 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.153 -12.045 5.764 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.509 -12.194 6.429 1.00 0.00 H new ATOM 1449 N GLU A 95 -2.157 -11.326 4.828 1.00 0.00 N ATOM 1450 CA GLU A 95 -0.818 -10.733 4.855 1.00 0.00 C ATOM 1451 C GLU A 95 -0.298 -10.389 3.450 1.00 0.00 C ATOM 1452 O GLU A 95 0.326 -9.351 3.268 1.00 0.00 O ATOM 1453 CB GLU A 95 0.137 -11.689 5.580 1.00 0.00 C ATOM 1454 CG GLU A 95 1.532 -11.074 5.745 1.00 0.00 C ATOM 1455 CD GLU A 95 2.492 -11.936 6.588 1.00 0.00 C ATOM 1456 OE1 GLU A 95 2.063 -12.598 7.562 1.00 0.00 O ATOM 1457 OE2 GLU A 95 3.708 -11.947 6.278 1.00 0.00 O ATOM 0 H GLU A 95 -2.174 -12.307 5.108 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.873 -9.788 5.395 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.270 -11.937 6.560 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.213 -12.622 5.021 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.969 -10.917 4.759 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.435 -10.093 6.210 1.00 0.00 H new ATOM 1464 N GLU A 96 -0.588 -11.212 2.441 1.00 0.00 N ATOM 1465 CA GLU A 96 -0.221 -10.925 1.045 1.00 0.00 C ATOM 1466 C GLU A 96 -1.012 -9.741 0.476 1.00 0.00 C ATOM 1467 O GLU A 96 -0.463 -8.952 -0.295 1.00 0.00 O ATOM 1468 CB GLU A 96 -0.380 -12.166 0.153 1.00 0.00 C ATOM 1469 CG GLU A 96 0.546 -13.324 0.540 1.00 0.00 C ATOM 1470 CD GLU A 96 2.030 -12.979 0.317 1.00 0.00 C ATOM 1471 OE1 GLU A 96 2.649 -12.320 1.188 1.00 0.00 O ATOM 1472 OE2 GLU A 96 2.586 -13.374 -0.736 1.00 0.00 O ATOM 0 H GLU A 96 -1.083 -12.096 2.563 1.00 0.00 H new ATOM 0 HA GLU A 96 0.833 -10.645 1.049 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -1.414 -12.507 0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.185 -11.886 -0.882 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.387 -13.580 1.588 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.287 -14.206 -0.046 1.00 0.00 H new ATOM 1479 N ILE A 97 -2.269 -9.557 0.901 1.00 0.00 N ATOM 1480 CA ILE A 97 -3.041 -8.338 0.602 1.00 0.00 C ATOM 1481 C ILE A 97 -2.357 -7.129 1.253 1.00 0.00 C ATOM 1482 O ILE A 97 -2.094 -6.140 0.571 1.00 0.00 O ATOM 1483 CB ILE A 97 -4.518 -8.469 1.052 1.00 0.00 C ATOM 1484 CG1 ILE A 97 -5.235 -9.632 0.328 1.00 0.00 C ATOM 1485 CG2 ILE A 97 -5.254 -7.143 0.781 1.00 0.00 C ATOM 1486 CD1 ILE A 97 -6.579 -10.014 0.960 1.00 0.00 C ATOM 0 H ILE A 97 -2.779 -10.242 1.458 1.00 0.00 H new ATOM 0 HA ILE A 97 -3.061 -8.192 -0.478 1.00 0.00 H new ATOM 0 HB ILE A 97 -4.531 -8.690 2.119 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.399 -9.355 -0.713 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -4.583 -10.505 0.327 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.293 -7.233 1.097 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -4.773 -6.339 1.339 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.217 -6.917 -0.285 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.024 -10.836 0.400 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.420 -10.323 1.993 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -7.249 -9.155 0.937 1.00 0.00 H new ATOM 1498 N PHE A 98 -2.012 -7.219 2.543 1.00 0.00 N ATOM 1499 CA PHE A 98 -1.324 -6.157 3.286 1.00 0.00 C ATOM 1500 C PHE A 98 0.036 -5.793 2.656 1.00 0.00 C ATOM 1501 O PHE A 98 0.346 -4.609 2.497 1.00 0.00 O ATOM 1502 CB PHE A 98 -1.224 -6.589 4.755 1.00 0.00 C ATOM 1503 CG PHE A 98 -0.009 -6.105 5.518 1.00 0.00 C ATOM 1504 CD1 PHE A 98 -0.029 -4.865 6.183 1.00 0.00 C ATOM 1505 CD2 PHE A 98 1.133 -6.925 5.599 1.00 0.00 C ATOM 1506 CE1 PHE A 98 1.086 -4.462 6.939 1.00 0.00 C ATOM 1507 CE2 PHE A 98 2.249 -6.515 6.342 1.00 0.00 C ATOM 1508 CZ PHE A 98 2.225 -5.286 7.017 1.00 0.00 C ATOM 0 H PHE A 98 -2.206 -8.045 3.109 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.899 -5.232 3.235 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -2.116 -6.239 5.275 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.239 -7.678 4.793 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.897 -4.226 6.113 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.149 -7.875 5.086 1.00 0.00 H new ATOM 0 HE1 PHE A 98 1.069 -3.517 7.462 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.125 -7.144 6.394 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.080 -4.972 7.597 1.00 0.00 H new ATOM 1518 N ASN A 99 0.816 -6.796 2.237 1.00 0.00 N ATOM 1519 CA ASN A 99 2.108 -6.629 1.569 1.00 0.00 C ATOM 1520 C ASN A 99 1.979 -5.946 0.198 1.00 0.00 C ATOM 1521 O ASN A 99 2.853 -5.156 -0.164 1.00 0.00 O ATOM 1522 CB ASN A 99 2.801 -7.997 1.403 1.00 0.00 C ATOM 1523 CG ASN A 99 3.408 -8.559 2.688 1.00 0.00 C ATOM 1524 OD1 ASN A 99 3.851 -7.829 3.569 1.00 0.00 O ATOM 1525 ND2 ASN A 99 3.511 -9.871 2.813 1.00 0.00 N ATOM 0 H ASN A 99 0.556 -7.775 2.358 1.00 0.00 H new ATOM 0 HA ASN A 99 2.712 -5.979 2.203 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.076 -8.713 1.015 1.00 0.00 H new ATOM 0 HB3 ASN A 99 3.588 -7.903 0.655 1.00 0.00 H new ATOM 0 HD21 ASN A 99 3.957 -10.271 3.639 1.00 0.00 H new ATOM 0 HD22 ASN A 99 3.145 -10.483 2.084 1.00 0.00 H new ATOM 1532 N LEU A 100 0.896 -6.201 -0.551 1.00 0.00 N ATOM 1533 CA LEU A 100 0.654 -5.560 -1.845 1.00 0.00 C ATOM 1534 C LEU A 100 0.053 -4.158 -1.694 1.00 0.00 C ATOM 1535 O LEU A 100 0.463 -3.263 -2.428 1.00 0.00 O ATOM 1536 CB LEU A 100 -0.204 -6.482 -2.730 1.00 0.00 C ATOM 1537 CG LEU A 100 -0.416 -5.955 -4.170 1.00 0.00 C ATOM 1538 CD1 LEU A 100 0.895 -5.651 -4.914 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -1.193 -6.998 -4.984 1.00 0.00 C ATOM 0 H LEU A 100 0.166 -6.857 -0.274 1.00 0.00 H new ATOM 0 HA LEU A 100 1.612 -5.411 -2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.268 -7.463 -2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.177 -6.619 -2.258 1.00 0.00 H new ATOM 0 HG LEU A 100 -0.966 -5.019 -4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.669 -5.286 -5.916 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.455 -4.891 -4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.492 -6.560 -4.985 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.344 -6.629 -5.999 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.627 -7.929 -5.017 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.161 -7.178 -4.516 1.00 0.00 H new ATOM 1551 N LEU A 101 -0.846 -3.929 -0.727 1.00 0.00 N ATOM 1552 CA LEU A 101 -1.449 -2.612 -0.480 1.00 0.00 C ATOM 1553 C LEU A 101 -0.393 -1.531 -0.296 1.00 0.00 C ATOM 1554 O LEU A 101 -0.384 -0.551 -1.036 1.00 0.00 O ATOM 1555 CB LEU A 101 -2.360 -2.651 0.764 1.00 0.00 C ATOM 1556 CG LEU A 101 -3.764 -3.205 0.501 1.00 0.00 C ATOM 1557 CD1 LEU A 101 -4.541 -3.269 1.817 1.00 0.00 C ATOM 1558 CD2 LEU A 101 -4.534 -2.341 -0.505 1.00 0.00 C ATOM 0 H LEU A 101 -1.177 -4.655 -0.092 1.00 0.00 H new ATOM 0 HA LEU A 101 -2.044 -2.367 -1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -1.881 -3.258 1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -2.450 -1.642 1.166 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.658 -4.203 0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.540 -3.663 1.631 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.018 -3.921 2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.619 -2.269 2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -5.525 -2.766 -0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.632 -1.328 -0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.993 -2.314 -1.451 1.00 0.00 H new ATOM 1570 N GLN A 102 0.517 -1.734 0.653 1.00 0.00 N ATOM 1571 CA GLN A 102 1.589 -0.780 0.945 1.00 0.00 C ATOM 1572 C GLN A 102 2.486 -0.494 -0.274 1.00 0.00 C ATOM 1573 O GLN A 102 2.945 0.633 -0.423 1.00 0.00 O ATOM 1574 CB GLN A 102 2.403 -1.240 2.167 1.00 0.00 C ATOM 1575 CG GLN A 102 3.161 -2.559 1.956 1.00 0.00 C ATOM 1576 CD GLN A 102 3.942 -3.020 3.188 1.00 0.00 C ATOM 1577 OE1 GLN A 102 3.831 -2.500 4.292 1.00 0.00 O ATOM 1578 NE2 GLN A 102 4.784 -4.018 3.039 1.00 0.00 N ATOM 0 H GLN A 102 0.534 -2.565 1.244 1.00 0.00 H new ATOM 0 HA GLN A 102 1.117 0.172 1.190 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.118 -0.460 2.428 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.730 -1.352 3.017 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.450 -3.336 1.675 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.852 -2.442 1.121 1.00 0.00 H new ATOM 0 HE21 GLN A 102 4.890 -4.464 2.128 1.00 0.00 H new ATOM 0 HE22 GLN A 102 5.331 -4.347 3.835 1.00 0.00 H new ATOM 1587 N ASP A 103 2.686 -1.460 -1.181 1.00 0.00 N ATOM 1588 CA ASP A 103 3.510 -1.312 -2.393 1.00 0.00 C ATOM 1589 C ASP A 103 2.878 -0.374 -3.437 1.00 0.00 C ATOM 1590 O ASP A 103 3.585 0.282 -4.206 1.00 0.00 O ATOM 1591 CB ASP A 103 3.745 -2.693 -3.038 1.00 0.00 C ATOM 1592 CG ASP A 103 5.234 -2.947 -3.311 1.00 0.00 C ATOM 1593 OD1 ASP A 103 5.961 -3.314 -2.357 1.00 0.00 O ATOM 1594 OD2 ASP A 103 5.673 -2.785 -4.474 1.00 0.00 O ATOM 0 H ASP A 103 2.271 -2.388 -1.092 1.00 0.00 H new ATOM 0 HA ASP A 103 4.453 -0.866 -2.077 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.358 -3.472 -2.381 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.188 -2.758 -3.972 1.00 0.00 H new ATOM 1599 N LEU A 104 1.543 -0.303 -3.435 1.00 0.00 N ATOM 1600 CA LEU A 104 0.739 0.547 -4.315 1.00 0.00 C ATOM 1601 C LEU A 104 0.426 1.894 -3.647 1.00 0.00 C ATOM 1602 O LEU A 104 0.440 2.935 -4.303 1.00 0.00 O ATOM 1603 CB LEU A 104 -0.543 -0.218 -4.709 1.00 0.00 C ATOM 1604 CG LEU A 104 -0.301 -1.606 -5.349 1.00 0.00 C ATOM 1605 CD1 LEU A 104 -1.640 -2.287 -5.656 1.00 0.00 C ATOM 1606 CD2 LEU A 104 0.569 -1.541 -6.613 1.00 0.00 C ATOM 0 H LEU A 104 0.973 -0.857 -2.796 1.00 0.00 H new ATOM 0 HA LEU A 104 1.301 0.778 -5.220 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.160 -0.346 -3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.114 0.394 -5.408 1.00 0.00 H new ATOM 0 HG LEU A 104 0.253 -2.198 -4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.457 -3.263 -6.106 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.204 -2.413 -4.732 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.212 -1.669 -6.349 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.702 -2.545 -7.015 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.081 -0.914 -7.359 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.542 -1.118 -6.364 1.00 0.00 H new ATOM 1618 N MET A 105 0.224 1.890 -2.327 1.00 0.00 N ATOM 1619 CA MET A 105 -0.112 3.071 -1.524 1.00 0.00 C ATOM 1620 C MET A 105 1.095 3.965 -1.212 1.00 0.00 C ATOM 1621 O MET A 105 0.935 5.180 -1.112 1.00 0.00 O ATOM 1622 CB MET A 105 -0.824 2.635 -0.237 1.00 0.00 C ATOM 1623 CG MET A 105 -2.211 2.055 -0.556 1.00 0.00 C ATOM 1624 SD MET A 105 -3.175 1.478 0.863 1.00 0.00 S ATOM 1625 CE MET A 105 -3.524 3.064 1.662 1.00 0.00 C ATOM 0 H MET A 105 0.292 1.039 -1.769 1.00 0.00 H new ATOM 0 HA MET A 105 -0.782 3.686 -2.125 1.00 0.00 H new ATOM 0 HB2 MET A 105 -0.223 1.889 0.283 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.926 3.487 0.435 1.00 0.00 H new ATOM 0 HG2 MET A 105 -2.790 2.817 -1.078 1.00 0.00 H new ATOM 0 HG3 MET A 105 -2.084 1.222 -1.247 1.00 0.00 H new ATOM 0 HE1 MET A 105 -4.368 2.951 2.342 1.00 0.00 H new ATOM 0 HE2 MET A 105 -2.648 3.390 2.222 1.00 0.00 H new ATOM 0 HE3 MET A 105 -3.767 3.808 0.903 1.00 0.00 H new ATOM 2271 N PHE B 2 -20.654 -5.465 6.118 1.00 0.00 N ATOM 2272 CA PHE B 2 -20.967 -5.237 7.533 1.00 0.00 C ATOM 2273 C PHE B 2 -20.064 -4.150 8.133 1.00 0.00 C ATOM 2274 O PHE B 2 -18.840 -4.297 8.148 1.00 0.00 O ATOM 2275 CB PHE B 2 -20.831 -6.567 8.288 1.00 0.00 C ATOM 2276 CG PHE B 2 -21.348 -6.530 9.716 1.00 0.00 C ATOM 2277 CD1 PHE B 2 -20.585 -5.935 10.739 1.00 0.00 C ATOM 2278 CD2 PHE B 2 -22.608 -7.083 10.023 1.00 0.00 C ATOM 2279 CE1 PHE B 2 -21.094 -5.862 12.047 1.00 0.00 C ATOM 2280 CE2 PHE B 2 -23.111 -7.017 11.334 1.00 0.00 C ATOM 2281 CZ PHE B 2 -22.356 -6.400 12.347 1.00 0.00 C ATOM 0 HA PHE B 2 -21.991 -4.876 7.627 1.00 0.00 H new ATOM 0 HB2 PHE B 2 -21.369 -7.340 7.739 1.00 0.00 H new ATOM 0 HB3 PHE B 2 -19.781 -6.858 8.301 1.00 0.00 H new ATOM 0 HD1 PHE B 2 -19.607 -5.534 10.518 1.00 0.00 H new ATOM 0 HD2 PHE B 2 -23.189 -7.559 9.247 1.00 0.00 H new ATOM 0 HE1 PHE B 2 -20.512 -5.390 12.825 1.00 0.00 H new ATOM 0 HE2 PHE B 2 -24.078 -7.440 11.563 1.00 0.00 H new ATOM 0 HZ PHE B 2 -22.745 -6.340 13.353 1.00 0.00 H new ATOM 2291 N ARG B 3 -20.675 -3.081 8.658 1.00 0.00 N ATOM 2292 CA ARG B 3 -19.991 -1.959 9.306 1.00 0.00 C ATOM 2293 C ARG B 3 -19.664 -2.293 10.769 1.00 0.00 C ATOM 2294 O ARG B 3 -20.558 -2.326 11.619 1.00 0.00 O ATOM 2295 CB ARG B 3 -20.884 -0.710 9.224 1.00 0.00 C ATOM 2296 CG ARG B 3 -21.115 -0.265 7.773 1.00 0.00 C ATOM 2297 CD ARG B 3 -22.102 0.900 7.714 1.00 0.00 C ATOM 2298 NE ARG B 3 -22.285 1.388 6.334 1.00 0.00 N ATOM 2299 CZ ARG B 3 -23.178 0.959 5.447 1.00 0.00 C ATOM 2300 NH1 ARG B 3 -24.036 -0.004 5.715 1.00 0.00 N ATOM 2301 NH2 ARG B 3 -23.224 1.508 4.255 1.00 0.00 N ATOM 0 H ARG B 3 -21.689 -2.971 8.642 1.00 0.00 H new ATOM 0 HA ARG B 3 -19.050 -1.766 8.791 1.00 0.00 H new ATOM 0 HB2 ARG B 3 -21.844 -0.918 9.697 1.00 0.00 H new ATOM 0 HB3 ARG B 3 -20.423 0.103 9.784 1.00 0.00 H new ATOM 0 HG2 ARG B 3 -20.167 0.032 7.324 1.00 0.00 H new ATOM 0 HG3 ARG B 3 -21.497 -1.101 7.188 1.00 0.00 H new ATOM 0 HD2 ARG B 3 -23.063 0.584 8.119 1.00 0.00 H new ATOM 0 HD3 ARG B 3 -21.743 1.714 8.344 1.00 0.00 H new ATOM 0 HE ARG B 3 -21.660 2.134 6.028 1.00 0.00 H new ATOM 0 HH11 ARG B 3 -24.031 -0.450 6.632 1.00 0.00 H new ATOM 0 HH12 ARG B 3 -24.705 -0.303 5.005 1.00 0.00 H new ATOM 0 HH21 ARG B 3 -22.577 2.259 4.014 1.00 0.00 H new ATOM 0 HH22 ARG B 3 -23.907 1.183 3.570 1.00 0.00 H new ATOM 2315 N LEU B 4 -18.386 -2.523 11.072 1.00 0.00 N ATOM 2316 CA LEU B 4 -17.879 -2.752 12.432 1.00 0.00 C ATOM 2317 C LEU B 4 -17.760 -1.446 13.233 1.00 0.00 C ATOM 2318 O LEU B 4 -17.685 -0.351 12.669 1.00 0.00 O ATOM 2319 CB LEU B 4 -16.501 -3.434 12.366 1.00 0.00 C ATOM 2320 CG LEU B 4 -16.508 -4.878 11.861 1.00 0.00 C ATOM 2321 CD1 LEU B 4 -15.066 -5.337 11.628 1.00 0.00 C ATOM 2322 CD2 LEU B 4 -17.154 -5.841 12.851 1.00 0.00 C ATOM 0 H LEU B 4 -17.654 -2.557 10.363 1.00 0.00 H new ATOM 0 HA LEU B 4 -18.596 -3.395 12.943 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -15.853 -2.844 11.719 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -16.058 -3.417 13.362 1.00 0.00 H new ATOM 0 HG LEU B 4 -17.090 -4.892 10.940 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -15.065 -6.366 11.268 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -14.594 -4.693 10.886 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -14.510 -5.280 12.564 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -17.132 -6.851 12.443 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -16.605 -5.818 13.792 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -18.188 -5.543 13.027 1.00 0.00 H new ATOM 2334 N ARG B 5 -17.687 -1.604 14.559 1.00 0.00 N ATOM 2335 CA ARG B 5 -17.534 -0.508 15.539 1.00 0.00 C ATOM 2336 C ARG B 5 -16.098 -0.330 16.070 1.00 0.00 C ATOM 2337 O ARG B 5 -15.761 0.741 16.573 1.00 0.00 O ATOM 2338 CB ARG B 5 -18.517 -0.723 16.701 1.00 0.00 C ATOM 2339 CG ARG B 5 -19.974 -0.410 16.314 1.00 0.00 C ATOM 2340 CD ARG B 5 -20.400 1.049 16.560 1.00 0.00 C ATOM 2341 NE ARG B 5 -19.648 2.026 15.749 1.00 0.00 N ATOM 2342 CZ ARG B 5 -19.853 2.336 14.473 1.00 0.00 C ATOM 2343 NH1 ARG B 5 -20.797 1.766 13.752 1.00 0.00 N ATOM 2344 NH2 ARG B 5 -19.096 3.241 13.893 1.00 0.00 N ATOM 0 H ARG B 5 -17.734 -2.523 14.999 1.00 0.00 H new ATOM 0 HA ARG B 5 -17.762 0.418 15.010 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -18.450 -1.756 17.041 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -18.225 -0.091 17.540 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -20.115 -0.643 15.259 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -20.636 -1.068 16.877 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -21.463 1.150 16.343 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -20.266 1.285 17.616 1.00 0.00 H new ATOM 0 HE ARG B 5 -18.888 2.517 16.219 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -21.402 1.059 14.171 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -20.923 2.031 12.775 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -18.355 3.702 14.422 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -19.249 3.483 12.914 1.00 0.00 H new ATOM 2358 N HIS B 6 -15.249 -1.352 15.929 1.00 0.00 N ATOM 2359 CA HIS B 6 -13.838 -1.385 16.353 1.00 0.00 C ATOM 2360 C HIS B 6 -12.948 -2.080 15.304 1.00 0.00 C ATOM 2361 O HIS B 6 -13.425 -2.919 14.534 1.00 0.00 O ATOM 2362 CB HIS B 6 -13.729 -2.098 17.712 1.00 0.00 C ATOM 2363 CG HIS B 6 -14.348 -1.342 18.852 1.00 0.00 C ATOM 2364 ND1 HIS B 6 -13.671 -0.452 19.691 1.00 0.00 N ATOM 2365 CD2 HIS B 6 -15.650 -1.432 19.249 1.00 0.00 C ATOM 2366 CE1 HIS B 6 -14.590 -0.020 20.569 1.00 0.00 C ATOM 2367 NE2 HIS B 6 -15.786 -0.585 20.327 1.00 0.00 N ATOM 0 H HIS B 6 -15.539 -2.228 15.493 1.00 0.00 H new ATOM 0 HA HIS B 6 -13.482 -0.359 16.451 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -14.206 -3.075 17.637 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -12.677 -2.273 17.935 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -16.421 -2.045 18.806 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -14.395 0.686 21.363 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -16.645 -0.416 20.851 1.00 0.00 H new ATOM 2375 N PHE B 7 -11.652 -1.738 15.273 1.00 0.00 N ATOM 2376 CA PHE B 7 -10.700 -2.296 14.310 1.00 0.00 C ATOM 2377 C PHE B 7 -10.139 -3.653 14.798 1.00 0.00 C ATOM 2378 O PHE B 7 -9.572 -3.701 15.894 1.00 0.00 O ATOM 2379 CB PHE B 7 -9.600 -1.266 13.999 1.00 0.00 C ATOM 2380 CG PHE B 7 -8.896 -1.574 12.698 1.00 0.00 C ATOM 2381 CD1 PHE B 7 -9.632 -1.553 11.501 1.00 0.00 C ATOM 2382 CD2 PHE B 7 -7.530 -1.904 12.672 1.00 0.00 C ATOM 2383 CE1 PHE B 7 -9.026 -1.909 10.290 1.00 0.00 C ATOM 2384 CE2 PHE B 7 -6.917 -2.230 11.452 1.00 0.00 C ATOM 2385 CZ PHE B 7 -7.666 -2.248 10.263 1.00 0.00 C ATOM 0 H PHE B 7 -11.237 -1.065 15.917 1.00 0.00 H new ATOM 0 HA PHE B 7 -11.219 -2.506 13.375 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -10.039 -0.270 13.948 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -8.874 -1.253 14.811 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -10.672 -1.260 11.515 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -6.955 -1.907 13.586 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -9.605 -1.922 9.379 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -5.864 -2.468 11.427 1.00 0.00 H new ATOM 0 HZ PHE B 7 -7.195 -2.522 9.331 1.00 0.00 H new ATOM 2395 N PRO B 8 -10.292 -4.754 14.028 1.00 0.00 N ATOM 2396 CA PRO B 8 -10.002 -6.108 14.504 1.00 0.00 C ATOM 2397 C PRO B 8 -8.538 -6.556 14.356 1.00 0.00 C ATOM 2398 O PRO B 8 -8.137 -7.497 15.041 1.00 0.00 O ATOM 2399 CB PRO B 8 -10.920 -7.013 13.676 1.00 0.00 C ATOM 2400 CG PRO B 8 -11.000 -6.286 12.336 1.00 0.00 C ATOM 2401 CD PRO B 8 -10.995 -4.818 12.751 1.00 0.00 C ATOM 0 HA PRO B 8 -10.175 -6.156 15.579 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -10.507 -8.016 13.567 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -11.902 -7.121 14.136 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -10.154 -6.528 11.693 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -11.904 -6.548 11.786 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -10.496 -4.204 12.001 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -12.012 -4.438 12.848 1.00 0.00 H new ATOM 2409 N CYS B 9 -7.737 -5.929 13.481 1.00 0.00 N ATOM 2410 CA CYS B 9 -6.406 -6.451 13.127 1.00 0.00 C ATOM 2411 C CYS B 9 -5.295 -6.108 14.135 1.00 0.00 C ATOM 2412 O CYS B 9 -4.353 -6.887 14.294 1.00 0.00 O ATOM 2413 CB CYS B 9 -6.043 -5.961 11.718 1.00 0.00 C ATOM 2414 SG CYS B 9 -7.133 -6.746 10.498 1.00 0.00 S ATOM 0 H CYS B 9 -7.986 -5.062 13.006 1.00 0.00 H new ATOM 0 HA CYS B 9 -6.472 -7.539 13.154 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -6.141 -4.877 11.663 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -5.003 -6.199 11.497 1.00 0.00 H new ATOM 0 HG CYS B 9 -7.131 -6.048 9.401 1.00 0.00 H new ATOM 2420 N GLY B 10 -5.379 -4.948 14.801 1.00 0.00 N ATOM 2421 CA GLY B 10 -4.377 -4.443 15.758 1.00 0.00 C ATOM 2422 C GLY B 10 -3.108 -3.927 15.075 1.00 0.00 C ATOM 2423 O GLY B 10 -2.817 -2.730 15.118 1.00 0.00 O ATOM 0 H GLY B 10 -6.169 -4.314 14.687 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -4.818 -3.640 16.348 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -4.111 -5.240 16.453 1.00 0.00 H new ATOM 2427 N ASN B 11 -2.364 -4.813 14.407 1.00 0.00 N ATOM 2428 CA ASN B 11 -1.134 -4.513 13.662 1.00 0.00 C ATOM 2429 C ASN B 11 -1.444 -3.796 12.327 1.00 0.00 C ATOM 2430 O ASN B 11 -1.300 -4.351 11.236 1.00 0.00 O ATOM 2431 CB ASN B 11 -0.306 -5.799 13.491 1.00 0.00 C ATOM 2432 CG ASN B 11 0.175 -6.352 14.831 1.00 0.00 C ATOM 2433 OD1 ASN B 11 -0.425 -7.247 15.414 1.00 0.00 O ATOM 2434 ND2 ASN B 11 1.264 -5.827 15.369 1.00 0.00 N ATOM 0 H ASN B 11 -2.611 -5.802 14.368 1.00 0.00 H new ATOM 0 HA ASN B 11 -0.525 -3.811 14.231 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -0.908 -6.553 12.983 1.00 0.00 H new ATOM 0 HB3 ASN B 11 0.554 -5.594 12.853 1.00 0.00 H new ATOM 0 HD21 ASN B 11 1.603 -6.168 16.269 1.00 0.00 H new ATOM 0 HD22 ASN B 11 1.764 -5.082 14.884 1.00 0.00 H new ATOM 2441 N VAL B 12 -1.913 -2.553 12.439 1.00 0.00 N ATOM 2442 CA VAL B 12 -2.328 -1.674 11.334 1.00 0.00 C ATOM 2443 C VAL B 12 -1.140 -0.916 10.720 1.00 0.00 C ATOM 2444 O VAL B 12 -0.126 -0.690 11.383 1.00 0.00 O ATOM 2445 CB VAL B 12 -3.430 -0.710 11.828 1.00 0.00 C ATOM 2446 CG1 VAL B 12 -2.921 0.382 12.779 1.00 0.00 C ATOM 2447 CG2 VAL B 12 -4.217 -0.077 10.680 1.00 0.00 C ATOM 0 H VAL B 12 -2.021 -2.104 13.349 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.735 -2.293 10.535 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.104 -1.347 12.401 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.753 1.018 13.081 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.479 -0.081 13.661 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.169 0.986 12.271 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.978 0.591 11.085 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.538 0.490 10.043 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.697 -0.860 10.093 1.00 0.00 H new ATOM 2457 N ASN B 13 -1.291 -0.497 9.462 1.00 0.00 N ATOM 2458 CA ASN B 13 -0.353 0.350 8.724 1.00 0.00 C ATOM 2459 C ASN B 13 -1.055 1.644 8.262 1.00 0.00 C ATOM 2460 O ASN B 13 -2.205 1.618 7.813 1.00 0.00 O ATOM 2461 CB ASN B 13 0.196 -0.478 7.551 1.00 0.00 C ATOM 2462 CG ASN B 13 1.388 0.144 6.828 1.00 0.00 C ATOM 2463 OD1 ASN B 13 1.815 1.262 7.092 1.00 0.00 O ATOM 2464 ND2 ASN B 13 1.983 -0.589 5.906 1.00 0.00 N ATOM 0 H ASN B 13 -2.107 -0.750 8.905 1.00 0.00 H new ATOM 0 HA ASN B 13 0.480 0.664 9.353 1.00 0.00 H new ATOM 0 HB2 ASN B 13 0.488 -1.460 7.923 1.00 0.00 H new ATOM 0 HB3 ASN B 13 -0.606 -0.636 6.830 1.00 0.00 H new ATOM 0 HD21 ASN B 13 2.798 -0.225 5.413 1.00 0.00 H new ATOM 0 HD22 ASN B 13 1.628 -1.519 5.686 1.00 0.00 H new ATOM 2471 N TYR B 14 -0.373 2.785 8.388 1.00 0.00 N ATOM 2472 CA TYR B 14 -0.879 4.108 8.009 1.00 0.00 C ATOM 2473 C TYR B 14 -0.181 4.615 6.733 1.00 0.00 C ATOM 2474 O TYR B 14 0.955 5.098 6.767 1.00 0.00 O ATOM 2475 CB TYR B 14 -0.697 5.086 9.178 1.00 0.00 C ATOM 2476 CG TYR B 14 -1.288 4.640 10.504 1.00 0.00 C ATOM 2477 CD1 TYR B 14 -2.686 4.573 10.673 1.00 0.00 C ATOM 2478 CD2 TYR B 14 -0.435 4.322 11.580 1.00 0.00 C ATOM 2479 CE1 TYR B 14 -3.231 4.206 11.919 1.00 0.00 C ATOM 2480 CE2 TYR B 14 -0.974 3.951 12.827 1.00 0.00 C ATOM 2481 CZ TYR B 14 -2.375 3.901 13.002 1.00 0.00 C ATOM 2482 OH TYR B 14 -2.894 3.568 14.217 1.00 0.00 O ATOM 0 H TYR B 14 0.573 2.816 8.767 1.00 0.00 H new ATOM 0 HA TYR B 14 -1.943 4.034 7.787 1.00 0.00 H new ATOM 0 HB2 TYR B 14 0.369 5.264 9.317 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -1.146 6.041 8.903 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -3.340 4.804 9.845 1.00 0.00 H new ATOM 0 HD2 TYR B 14 0.636 4.363 11.448 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -4.302 4.158 12.047 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -0.317 3.705 13.648 1.00 0.00 H new ATOM 0 HH TYR B 14 -2.164 3.388 14.846 1.00 0.00 H new