USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 506 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 446 CYS SG : rot 176:sc= -0.0892 USER MOD Set 1.2: A 452 HIS : no HE2:sc= -4.96! K(o=-6.1!,f=-4.2) USER MOD Set 1.3: A 478 CYS SG : rot -131:sc= -0.884 USER MOD Set 1.4: A 481 HIS : no HD1:sc= -0.157 K(o=-6.1,f=-13!) USER MOD Set 2.1: A 419 CYS SG : rot -142:sc= -0.802 USER MOD Set 2.2: A 420 CYS SG : rot 49:sc= -3.77 USER MOD Set 2.3: A 423 CYS SG : rot 49:sc= 0.133 USER MOD Set 2.4: A 455 HIS : no HD1:sc= -5.69! C(o=-16!,f=-22!) USER MOD Set 2.5: A 458 CYS SG : rot 153:sc= -3.93! USER MOD Set 2.6: A 459 MET CE :methyl -127:sc= -2.16 (180deg=0) USER MOD Single : A 415 TYR OH : rot -39:sc= 0.681 USER MOD Single : A 418 THR OG1 : rot 180:sc= 0.031 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0.0135 USER MOD Single : A 428 ASN : amide:sc= 0.0325 X(o=0.032,f=0) USER MOD Single : A 429 THR OG1 : rot -43:sc= 0.911 USER MOD Single : A 434 TYR OH : rot 180:sc= -0.41 USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot -31:sc= 0.311 USER MOD Single : A 439 ASN : amide:sc= -0.555 K(o=-0.56,f=-2.3) USER MOD Single : A 440 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 MET CE :methyl -117:sc= -9.47! (180deg=-13.1!) USER MOD Single : A 445 TYR OH : rot 180:sc= 0 USER MOD Single : A 447 SER OG : rot -58:sc= 1.14 USER MOD Single : A 448 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-0.46) USER MOD Single : A 457 GLN : amide:sc= -0.726 K(o=-0.73,f=0.13) USER MOD Single : A 465 THR OG1 : rot 180:sc= -0.0158 USER MOD Single : A 468 HIS : no HD1:sc= -2.33! K(o=-2.3!,f=-1) USER MOD Single : A 470 SER OG : rot 180:sc= 0 USER MOD Single : A 473 SER OG : rot 44:sc= 0.872 USER MOD Single : A 474 ASN : amide:sc= 0.603 K(o=0.6,f=-2.6!) USER MOD Single : A 475 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.2) USER MOD Single : A 476 TYR OH : rot 165:sc= -5.14! USER MOD Single : A 477 TYR OH : rot -151:sc= -0.796 USER MOD Single : A 479 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.07) USER MOD Single : A 483 GLN : amide:sc= -0.405 K(o=-0.41,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 117 N TYR A 415 60.772 -9.217 -2.983 1.00 0.00 N ATOM 118 CA TYR A 415 60.970 -7.739 -3.044 1.00 0.00 C ATOM 119 C TYR A 415 61.929 -7.373 -4.182 1.00 0.00 C ATOM 120 O TYR A 415 62.406 -6.259 -4.271 1.00 0.00 O ATOM 121 CB TYR A 415 61.570 -7.361 -1.688 1.00 0.00 C ATOM 122 CG TYR A 415 60.481 -6.812 -0.798 1.00 0.00 C ATOM 123 CD1 TYR A 415 59.684 -5.751 -1.243 1.00 0.00 C ATOM 124 CD2 TYR A 415 60.265 -7.366 0.469 1.00 0.00 C ATOM 125 CE1 TYR A 415 58.670 -5.245 -0.422 1.00 0.00 C ATOM 126 CE2 TYR A 415 59.251 -6.859 1.291 1.00 0.00 C ATOM 127 CZ TYR A 415 58.454 -5.798 0.845 1.00 0.00 C ATOM 128 OH TYR A 415 57.453 -5.300 1.654 1.00 0.00 O ATOM 0 HA TYR A 415 60.038 -7.208 -3.238 1.00 0.00 H new ATOM 0 HB2 TYR A 415 62.029 -8.234 -1.224 1.00 0.00 H new ATOM 0 HB3 TYR A 415 62.357 -6.619 -1.820 1.00 0.00 H new ATOM 0 HD1 TYR A 415 59.852 -5.323 -2.220 1.00 0.00 H new ATOM 0 HD2 TYR A 415 60.880 -8.184 0.813 1.00 0.00 H new ATOM 0 HE1 TYR A 415 58.054 -4.427 -0.766 1.00 0.00 H new ATOM 0 HE2 TYR A 415 59.084 -7.286 2.269 1.00 0.00 H new ATOM 0 HH TYR A 415 57.417 -4.325 1.567 1.00 0.00 H new ATOM 138 N TRP A 416 62.207 -8.302 -5.057 1.00 0.00 N ATOM 139 CA TRP A 416 63.125 -8.013 -6.196 1.00 0.00 C ATOM 140 C TRP A 416 62.340 -7.340 -7.325 1.00 0.00 C ATOM 141 O TRP A 416 62.275 -7.836 -8.432 1.00 0.00 O ATOM 142 CB TRP A 416 63.639 -9.387 -6.632 1.00 0.00 C ATOM 143 CG TRP A 416 64.354 -10.018 -5.482 1.00 0.00 C ATOM 144 CD1 TRP A 416 64.000 -11.175 -4.876 1.00 0.00 C ATOM 145 CD2 TRP A 416 65.530 -9.532 -4.783 1.00 0.00 C ATOM 146 NE1 TRP A 416 64.890 -11.427 -3.845 1.00 0.00 N ATOM 147 CE2 TRP A 416 65.853 -10.441 -3.750 1.00 0.00 C ATOM 148 CE3 TRP A 416 66.339 -8.398 -4.948 1.00 0.00 C ATOM 149 CZ2 TRP A 416 66.945 -10.229 -2.907 1.00 0.00 C ATOM 150 CZ3 TRP A 416 67.436 -8.181 -4.107 1.00 0.00 C ATOM 151 CH2 TRP A 416 67.741 -9.093 -3.087 1.00 0.00 C ATOM 0 H TRP A 416 61.836 -9.252 -5.032 1.00 0.00 H new ATOM 0 HA TRP A 416 63.941 -7.341 -5.930 1.00 0.00 H new ATOM 0 HB2 TRP A 416 62.809 -10.017 -6.952 1.00 0.00 H new ATOM 0 HB3 TRP A 416 64.310 -9.286 -7.485 1.00 0.00 H new ATOM 0 HD1 TRP A 416 63.162 -11.799 -5.151 1.00 0.00 H new ATOM 0 HE1 TRP A 416 64.840 -12.240 -3.231 1.00 0.00 H new ATOM 0 HE3 TRP A 416 66.114 -7.688 -5.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 67.173 -10.936 -2.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 68.052 -7.305 -4.245 1.00 0.00 H new ATOM 0 HH2 TRP A 416 68.589 -8.919 -2.441 1.00 0.00 H new ATOM 162 N ILE A 417 61.728 -6.218 -7.044 1.00 0.00 N ATOM 163 CA ILE A 417 60.926 -5.518 -8.091 1.00 0.00 C ATOM 164 C ILE A 417 61.564 -4.177 -8.461 1.00 0.00 C ATOM 165 O ILE A 417 62.730 -3.940 -8.212 1.00 0.00 O ATOM 166 CB ILE A 417 59.548 -5.303 -7.457 1.00 0.00 C ATOM 167 CG1 ILE A 417 59.668 -4.360 -6.254 1.00 0.00 C ATOM 168 CG2 ILE A 417 58.988 -6.644 -6.986 1.00 0.00 C ATOM 169 CD1 ILE A 417 58.271 -3.977 -5.764 1.00 0.00 C ATOM 0 H ILE A 417 61.749 -5.757 -6.135 1.00 0.00 H new ATOM 0 HA ILE A 417 60.868 -6.096 -9.013 1.00 0.00 H new ATOM 0 HB ILE A 417 58.881 -4.863 -8.198 1.00 0.00 H new ATOM 0 HG12 ILE A 417 60.226 -4.845 -5.453 1.00 0.00 H new ATOM 0 HG13 ILE A 417 60.225 -3.466 -6.534 1.00 0.00 H new ATOM 0 HG21 ILE A 417 58.008 -6.491 -6.535 1.00 0.00 H new ATOM 0 HG22 ILE A 417 58.894 -7.318 -7.837 1.00 0.00 H new ATOM 0 HG23 ILE A 417 59.662 -7.081 -6.249 1.00 0.00 H new ATOM 0 HD11 ILE A 417 58.356 -3.307 -4.909 1.00 0.00 H new ATOM 0 HD12 ILE A 417 57.729 -3.475 -6.566 1.00 0.00 H new ATOM 0 HD13 ILE A 417 57.730 -4.876 -5.468 1.00 0.00 H new ATOM 181 N THR A 418 60.800 -3.299 -9.057 1.00 0.00 N ATOM 182 CA THR A 418 61.347 -1.971 -9.450 1.00 0.00 C ATOM 183 C THR A 418 60.716 -0.862 -8.602 1.00 0.00 C ATOM 184 O THR A 418 59.740 -0.249 -8.989 1.00 0.00 O ATOM 185 CB THR A 418 60.968 -1.801 -10.924 1.00 0.00 C ATOM 186 OG1 THR A 418 59.804 -2.566 -11.211 1.00 0.00 O ATOM 187 CG2 THR A 418 62.123 -2.274 -11.808 1.00 0.00 C ATOM 0 H THR A 418 59.818 -3.447 -9.288 1.00 0.00 H new ATOM 0 HA THR A 418 62.425 -1.911 -9.298 1.00 0.00 H new ATOM 0 HB THR A 418 60.766 -0.749 -11.125 1.00 0.00 H new ATOM 0 HG1 THR A 418 59.563 -2.454 -12.154 1.00 0.00 H new ATOM 0 HG21 THR A 418 61.852 -2.152 -12.857 1.00 0.00 H new ATOM 0 HG22 THR A 418 63.012 -1.682 -11.592 1.00 0.00 H new ATOM 0 HG23 THR A 418 62.329 -3.325 -11.606 1.00 0.00 H new ATOM 195 N CYS A 419 61.277 -0.596 -7.453 1.00 0.00 N ATOM 196 CA CYS A 419 60.734 0.481 -6.567 1.00 0.00 C ATOM 197 C CYS A 419 60.569 1.789 -7.357 1.00 0.00 C ATOM 198 O CYS A 419 59.762 2.633 -7.020 1.00 0.00 O ATOM 199 CB CYS A 419 61.787 0.616 -5.461 1.00 0.00 C ATOM 200 SG CYS A 419 63.129 1.714 -5.980 1.00 0.00 S ATOM 0 H CYS A 419 62.095 -1.081 -7.085 1.00 0.00 H new ATOM 0 HA CYS A 419 59.747 0.251 -6.164 1.00 0.00 H new ATOM 0 HB2 CYS A 419 61.322 1.006 -4.556 1.00 0.00 H new ATOM 0 HB3 CYS A 419 62.190 -0.366 -5.215 1.00 0.00 H new ATOM 0 HG CYS A 419 64.262 1.250 -5.544 1.00 0.00 H new ATOM 205 N CYS A 420 61.334 1.954 -8.404 1.00 0.00 N ATOM 206 CA CYS A 420 61.238 3.197 -9.224 1.00 0.00 C ATOM 207 C CYS A 420 61.660 2.892 -10.669 1.00 0.00 C ATOM 208 O CYS A 420 61.890 1.748 -11.009 1.00 0.00 O ATOM 209 CB CYS A 420 62.210 4.177 -8.560 1.00 0.00 C ATOM 210 SG CYS A 420 61.312 5.647 -8.000 1.00 0.00 S ATOM 0 H CYS A 420 62.025 1.277 -8.728 1.00 0.00 H new ATOM 0 HA CYS A 420 60.228 3.604 -9.268 1.00 0.00 H new ATOM 0 HB2 CYS A 420 62.704 3.697 -7.715 1.00 0.00 H new ATOM 0 HB3 CYS A 420 62.991 4.463 -9.265 1.00 0.00 H new ATOM 0 HG CYS A 420 60.254 5.283 -7.338 1.00 0.00 H new ATOM 216 N PRO A 421 61.749 3.918 -11.481 1.00 0.00 N ATOM 217 CA PRO A 421 62.146 3.722 -12.893 1.00 0.00 C ATOM 218 C PRO A 421 63.663 3.537 -13.001 1.00 0.00 C ATOM 219 O PRO A 421 64.165 2.996 -13.967 1.00 0.00 O ATOM 220 CB PRO A 421 61.693 5.007 -13.577 1.00 0.00 C ATOM 221 CG PRO A 421 61.650 6.044 -12.497 1.00 0.00 C ATOM 222 CD PRO A 421 61.497 5.332 -11.173 1.00 0.00 C ATOM 0 HA PRO A 421 61.705 2.834 -13.345 1.00 0.00 H new ATOM 0 HB2 PRO A 421 62.384 5.294 -14.369 1.00 0.00 H new ATOM 0 HB3 PRO A 421 60.714 4.881 -14.039 1.00 0.00 H new ATOM 0 HG2 PRO A 421 62.562 6.641 -12.506 1.00 0.00 H new ATOM 0 HG3 PRO A 421 60.818 6.730 -12.660 1.00 0.00 H new ATOM 0 HD2 PRO A 421 62.206 5.709 -10.436 1.00 0.00 H new ATOM 0 HD3 PRO A 421 60.499 5.476 -10.759 1.00 0.00 H new ATOM 230 N THR A 422 64.395 3.973 -12.010 1.00 0.00 N ATOM 231 CA THR A 422 65.878 3.814 -12.045 1.00 0.00 C ATOM 232 C THR A 422 66.334 2.970 -10.852 1.00 0.00 C ATOM 233 O THR A 422 67.365 3.218 -10.259 1.00 0.00 O ATOM 234 CB THR A 422 66.433 5.235 -11.943 1.00 0.00 C ATOM 235 OG1 THR A 422 65.703 5.957 -10.960 1.00 0.00 O ATOM 236 CG2 THR A 422 66.300 5.935 -13.296 1.00 0.00 C ATOM 0 H THR A 422 64.029 4.433 -11.177 1.00 0.00 H new ATOM 0 HA THR A 422 66.224 3.311 -12.948 1.00 0.00 H new ATOM 0 HB THR A 422 67.485 5.195 -11.659 1.00 0.00 H new ATOM 0 HG1 THR A 422 66.058 6.868 -10.892 1.00 0.00 H new ATOM 0 HG21 THR A 422 66.696 6.948 -13.222 1.00 0.00 H new ATOM 0 HG22 THR A 422 66.860 5.381 -14.049 1.00 0.00 H new ATOM 0 HG23 THR A 422 65.249 5.976 -13.583 1.00 0.00 H new ATOM 244 N CYS A 423 65.564 1.977 -10.496 1.00 0.00 N ATOM 245 CA CYS A 423 65.934 1.112 -9.337 1.00 0.00 C ATOM 246 C CYS A 423 67.155 0.250 -9.678 1.00 0.00 C ATOM 247 O CYS A 423 67.376 -0.112 -10.817 1.00 0.00 O ATOM 248 CB CYS A 423 64.700 0.236 -9.095 1.00 0.00 C ATOM 249 SG CYS A 423 65.055 -0.991 -7.811 1.00 0.00 S ATOM 0 H CYS A 423 64.691 1.726 -10.960 1.00 0.00 H new ATOM 0 HA CYS A 423 66.203 1.693 -8.455 1.00 0.00 H new ATOM 0 HB2 CYS A 423 63.856 0.857 -8.793 1.00 0.00 H new ATOM 0 HB3 CYS A 423 64.412 -0.265 -10.019 1.00 0.00 H new ATOM 0 HG CYS A 423 65.599 -0.403 -6.787 1.00 0.00 H new ATOM 254 N ASP A 424 67.943 -0.082 -8.690 1.00 0.00 N ATOM 255 CA ASP A 424 69.150 -0.924 -8.940 1.00 0.00 C ATOM 256 C ASP A 424 69.174 -2.131 -7.990 1.00 0.00 C ATOM 257 O ASP A 424 70.041 -2.978 -8.077 1.00 0.00 O ATOM 258 CB ASP A 424 70.338 -0.002 -8.661 1.00 0.00 C ATOM 259 CG ASP A 424 71.642 -0.742 -8.964 1.00 0.00 C ATOM 260 OD1 ASP A 424 71.684 -1.445 -9.960 1.00 0.00 O ATOM 261 OD2 ASP A 424 72.578 -0.592 -8.195 1.00 0.00 O ATOM 0 H ASP A 424 67.803 0.194 -7.718 1.00 0.00 H new ATOM 0 HA ASP A 424 69.167 -1.323 -9.954 1.00 0.00 H new ATOM 0 HB2 ASP A 424 70.266 0.896 -9.274 1.00 0.00 H new ATOM 0 HB3 ASP A 424 70.324 0.321 -7.620 1.00 0.00 H new ATOM 266 N VAL A 425 68.232 -2.216 -7.084 1.00 0.00 N ATOM 267 CA VAL A 425 68.210 -3.368 -6.134 1.00 0.00 C ATOM 268 C VAL A 425 68.039 -4.683 -6.902 1.00 0.00 C ATOM 269 O VAL A 425 67.056 -4.894 -7.586 1.00 0.00 O ATOM 270 CB VAL A 425 67.010 -3.105 -5.215 1.00 0.00 C ATOM 271 CG1 VAL A 425 66.622 -4.386 -4.471 1.00 0.00 C ATOM 272 CG2 VAL A 425 67.386 -2.030 -4.195 1.00 0.00 C ATOM 0 H VAL A 425 67.479 -1.539 -6.962 1.00 0.00 H new ATOM 0 HA VAL A 425 69.136 -3.457 -5.567 1.00 0.00 H new ATOM 0 HB VAL A 425 66.166 -2.773 -5.819 1.00 0.00 H new ATOM 0 HG11 VAL A 425 65.769 -4.186 -3.822 1.00 0.00 H new ATOM 0 HG12 VAL A 425 66.356 -5.159 -5.192 1.00 0.00 H new ATOM 0 HG13 VAL A 425 67.464 -4.726 -3.869 1.00 0.00 H new ATOM 0 HG21 VAL A 425 66.537 -1.838 -3.539 1.00 0.00 H new ATOM 0 HG22 VAL A 425 68.234 -2.372 -3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 425 67.656 -1.112 -4.717 1.00 0.00 H new ATOM 282 N ASP A 426 68.991 -5.566 -6.785 1.00 0.00 N ATOM 283 CA ASP A 426 68.900 -6.873 -7.495 1.00 0.00 C ATOM 284 C ASP A 426 69.801 -7.896 -6.801 1.00 0.00 C ATOM 285 O ASP A 426 70.999 -7.717 -6.713 1.00 0.00 O ATOM 286 CB ASP A 426 69.398 -6.593 -8.913 1.00 0.00 C ATOM 287 CG ASP A 426 68.216 -6.211 -9.805 1.00 0.00 C ATOM 288 OD1 ASP A 426 67.241 -6.945 -9.809 1.00 0.00 O ATOM 289 OD2 ASP A 426 68.305 -5.192 -10.469 1.00 0.00 O ATOM 0 H ASP A 426 69.834 -5.438 -6.225 1.00 0.00 H new ATOM 0 HA ASP A 426 67.888 -7.279 -7.498 1.00 0.00 H new ATOM 0 HB2 ASP A 426 70.132 -5.787 -8.899 1.00 0.00 H new ATOM 0 HB3 ASP A 426 69.900 -7.474 -9.314 1.00 0.00 H new ATOM 294 N ILE A 427 69.235 -8.962 -6.298 1.00 0.00 N ATOM 295 CA ILE A 427 70.062 -9.992 -5.599 1.00 0.00 C ATOM 296 C ILE A 427 71.250 -10.412 -6.470 1.00 0.00 C ATOM 297 O ILE A 427 72.276 -10.830 -5.970 1.00 0.00 O ATOM 298 CB ILE A 427 69.119 -11.168 -5.354 1.00 0.00 C ATOM 299 CG1 ILE A 427 69.872 -12.281 -4.624 1.00 0.00 C ATOM 300 CG2 ILE A 427 68.589 -11.698 -6.688 1.00 0.00 C ATOM 301 CD1 ILE A 427 70.121 -11.864 -3.174 1.00 0.00 C ATOM 0 H ILE A 427 68.236 -9.164 -6.341 1.00 0.00 H new ATOM 0 HA ILE A 427 70.483 -9.614 -4.667 1.00 0.00 H new ATOM 0 HB ILE A 427 68.280 -10.834 -4.744 1.00 0.00 H new ATOM 0 HG12 ILE A 427 69.295 -13.205 -4.654 1.00 0.00 H new ATOM 0 HG13 ILE A 427 70.820 -12.481 -5.124 1.00 0.00 H new ATOM 0 HG21 ILE A 427 67.917 -12.537 -6.505 1.00 0.00 H new ATOM 0 HG22 ILE A 427 68.048 -10.906 -7.205 1.00 0.00 H new ATOM 0 HG23 ILE A 427 69.424 -12.030 -7.305 1.00 0.00 H new ATOM 0 HD11 ILE A 427 70.658 -12.658 -2.654 1.00 0.00 H new ATOM 0 HD12 ILE A 427 70.716 -10.951 -3.155 1.00 0.00 H new ATOM 0 HD13 ILE A 427 69.167 -11.686 -2.678 1.00 0.00 H new ATOM 313 N ASN A 428 71.128 -10.288 -7.767 1.00 0.00 N ATOM 314 CA ASN A 428 72.266 -10.664 -8.659 1.00 0.00 C ATOM 315 C ASN A 428 73.529 -9.926 -8.205 1.00 0.00 C ATOM 316 O ASN A 428 74.639 -10.382 -8.401 1.00 0.00 O ATOM 317 CB ASN A 428 71.847 -10.206 -10.058 1.00 0.00 C ATOM 318 CG ASN A 428 72.266 -11.256 -11.088 1.00 0.00 C ATOM 319 OD1 ASN A 428 71.454 -11.722 -11.862 1.00 0.00 O ATOM 320 ND2 ASN A 428 73.509 -11.651 -11.130 1.00 0.00 N ATOM 0 H ASN A 428 70.295 -9.945 -8.245 1.00 0.00 H new ATOM 0 HA ASN A 428 72.484 -11.732 -8.638 1.00 0.00 H new ATOM 0 HB2 ASN A 428 70.768 -10.056 -10.095 1.00 0.00 H new ATOM 0 HB3 ASN A 428 72.310 -9.247 -10.292 1.00 0.00 H new ATOM 0 HD21 ASN A 428 73.799 -12.351 -11.813 1.00 0.00 H new ATOM 0 HD22 ASN A 428 74.191 -11.260 -10.480 1.00 0.00 H new ATOM 327 N THR A 429 73.354 -8.790 -7.583 1.00 0.00 N ATOM 328 CA THR A 429 74.519 -8.005 -7.088 1.00 0.00 C ATOM 329 C THR A 429 74.125 -7.228 -5.825 1.00 0.00 C ATOM 330 O THR A 429 74.769 -6.267 -5.451 1.00 0.00 O ATOM 331 CB THR A 429 74.870 -7.045 -8.229 1.00 0.00 C ATOM 332 OG1 THR A 429 75.967 -6.231 -7.838 1.00 0.00 O ATOM 333 CG2 THR A 429 73.665 -6.157 -8.551 1.00 0.00 C ATOM 0 H THR A 429 72.444 -8.370 -7.396 1.00 0.00 H new ATOM 0 HA THR A 429 75.365 -8.638 -6.823 1.00 0.00 H new ATOM 0 HB THR A 429 75.137 -7.621 -9.115 1.00 0.00 H new ATOM 0 HG1 THR A 429 75.839 -5.932 -6.914 1.00 0.00 H new ATOM 0 HG21 THR A 429 73.921 -5.477 -9.363 1.00 0.00 H new ATOM 0 HG22 THR A 429 72.823 -6.781 -8.852 1.00 0.00 H new ATOM 0 HG23 THR A 429 73.391 -5.580 -7.667 1.00 0.00 H new ATOM 341 N TRP A 430 73.069 -7.637 -5.164 1.00 0.00 N ATOM 342 CA TRP A 430 72.634 -6.923 -3.926 1.00 0.00 C ATOM 343 C TRP A 430 73.049 -7.707 -2.682 1.00 0.00 C ATOM 344 O TRP A 430 73.394 -8.870 -2.753 1.00 0.00 O ATOM 345 CB TRP A 430 71.111 -6.863 -3.996 1.00 0.00 C ATOM 346 CG TRP A 430 70.604 -6.012 -2.888 1.00 0.00 C ATOM 347 CD1 TRP A 430 70.442 -4.668 -2.901 1.00 0.00 C ATOM 348 CD2 TRP A 430 70.196 -6.461 -1.594 1.00 0.00 C ATOM 349 NE1 TRP A 430 69.951 -4.275 -1.663 1.00 0.00 N ATOM 350 CE2 TRP A 430 69.783 -5.360 -0.820 1.00 0.00 C ATOM 351 CE3 TRP A 430 70.156 -7.728 -1.043 1.00 0.00 C ATOM 352 CZ2 TRP A 430 69.335 -5.526 0.491 1.00 0.00 C ATOM 353 CZ3 TRP A 430 69.708 -7.918 0.274 1.00 0.00 C ATOM 354 CH2 TRP A 430 69.297 -6.814 1.043 1.00 0.00 C ATOM 0 H TRP A 430 72.491 -8.434 -5.429 1.00 0.00 H new ATOM 0 HA TRP A 430 73.087 -5.933 -3.863 1.00 0.00 H new ATOM 0 HB2 TRP A 430 70.795 -6.456 -4.957 1.00 0.00 H new ATOM 0 HB3 TRP A 430 70.692 -7.866 -3.921 1.00 0.00 H new ATOM 0 HD1 TRP A 430 70.658 -4.013 -3.732 1.00 0.00 H new ATOM 0 HE1 TRP A 430 69.741 -3.310 -1.407 1.00 0.00 H new ATOM 0 HE3 TRP A 430 70.472 -8.578 -1.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 430 69.021 -4.672 1.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 430 69.679 -8.911 0.697 1.00 0.00 H new ATOM 0 HH2 TRP A 430 68.953 -6.958 2.056 1.00 0.00 H new ATOM 365 N VAL A 431 72.996 -7.076 -1.542 1.00 0.00 N ATOM 366 CA VAL A 431 73.366 -7.767 -0.274 1.00 0.00 C ATOM 367 C VAL A 431 72.674 -7.078 0.909 1.00 0.00 C ATOM 368 O VAL A 431 72.160 -5.986 0.767 1.00 0.00 O ATOM 369 CB VAL A 431 74.884 -7.618 -0.157 1.00 0.00 C ATOM 370 CG1 VAL A 431 75.575 -8.383 -1.288 1.00 0.00 C ATOM 371 CG2 VAL A 431 75.265 -6.137 -0.238 1.00 0.00 C ATOM 0 H VAL A 431 72.710 -6.103 -1.433 1.00 0.00 H new ATOM 0 HA VAL A 431 73.062 -8.814 -0.271 1.00 0.00 H new ATOM 0 HB VAL A 431 75.206 -8.026 0.801 1.00 0.00 H new ATOM 0 HG11 VAL A 431 76.655 -8.271 -1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 431 75.313 -9.439 -1.226 1.00 0.00 H new ATOM 0 HG13 VAL A 431 75.249 -7.984 -2.249 1.00 0.00 H new ATOM 0 HG21 VAL A 431 76.347 -6.035 -0.154 1.00 0.00 H new ATOM 0 HG22 VAL A 431 74.935 -5.728 -1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 431 74.785 -5.593 0.575 1.00 0.00 H new ATOM 381 N PRO A 432 72.686 -7.730 2.046 1.00 0.00 N ATOM 382 CA PRO A 432 72.051 -7.145 3.252 1.00 0.00 C ATOM 383 C PRO A 432 72.867 -5.949 3.750 1.00 0.00 C ATOM 384 O PRO A 432 73.892 -6.103 4.384 1.00 0.00 O ATOM 385 CB PRO A 432 72.074 -8.290 4.263 1.00 0.00 C ATOM 386 CG PRO A 432 73.197 -9.170 3.819 1.00 0.00 C ATOM 387 CD PRO A 432 73.278 -9.047 2.319 1.00 0.00 C ATOM 0 HA PRO A 432 71.043 -6.770 3.072 1.00 0.00 H new ATOM 0 HB2 PRO A 432 72.238 -7.920 5.275 1.00 0.00 H new ATOM 0 HB3 PRO A 432 71.127 -8.830 4.270 1.00 0.00 H new ATOM 0 HG2 PRO A 432 74.135 -8.865 4.283 1.00 0.00 H new ATOM 0 HG3 PRO A 432 73.018 -10.204 4.113 1.00 0.00 H new ATOM 0 HD2 PRO A 432 74.308 -9.104 1.967 1.00 0.00 H new ATOM 0 HD3 PRO A 432 72.727 -9.845 1.821 1.00 0.00 H new ATOM 395 N PHE A 433 72.419 -4.757 3.459 1.00 0.00 N ATOM 396 CA PHE A 433 73.163 -3.542 3.903 1.00 0.00 C ATOM 397 C PHE A 433 72.680 -3.101 5.286 1.00 0.00 C ATOM 398 O PHE A 433 73.455 -2.671 6.118 1.00 0.00 O ATOM 399 CB PHE A 433 72.829 -2.476 2.859 1.00 0.00 C ATOM 400 CG PHE A 433 73.882 -1.394 2.887 1.00 0.00 C ATOM 401 CD1 PHE A 433 75.224 -1.717 2.651 1.00 0.00 C ATOM 402 CD2 PHE A 433 73.517 -0.068 3.147 1.00 0.00 C ATOM 403 CE1 PHE A 433 76.200 -0.714 2.676 1.00 0.00 C ATOM 404 CE2 PHE A 433 74.493 0.935 3.172 1.00 0.00 C ATOM 405 CZ PHE A 433 75.835 0.612 2.937 1.00 0.00 C ATOM 0 H PHE A 433 71.566 -4.572 2.931 1.00 0.00 H new ATOM 0 HA PHE A 433 74.235 -3.720 3.982 1.00 0.00 H new ATOM 0 HB2 PHE A 433 72.781 -2.926 1.867 1.00 0.00 H new ATOM 0 HB3 PHE A 433 71.847 -2.048 3.062 1.00 0.00 H new ATOM 0 HD1 PHE A 433 75.506 -2.740 2.450 1.00 0.00 H new ATOM 0 HD2 PHE A 433 72.482 0.181 3.328 1.00 0.00 H new ATOM 0 HE1 PHE A 433 77.235 -0.963 2.494 1.00 0.00 H new ATOM 0 HE2 PHE A 433 74.211 1.958 3.373 1.00 0.00 H new ATOM 0 HZ PHE A 433 76.588 1.386 2.957 1.00 0.00 H new ATOM 415 N TYR A 434 71.404 -3.202 5.533 1.00 0.00 N ATOM 416 CA TYR A 434 70.862 -2.786 6.861 1.00 0.00 C ATOM 417 C TYR A 434 71.349 -3.745 7.950 1.00 0.00 C ATOM 418 O TYR A 434 71.554 -4.919 7.710 1.00 0.00 O ATOM 419 CB TYR A 434 69.339 -2.860 6.717 1.00 0.00 C ATOM 420 CG TYR A 434 68.907 -2.082 5.495 1.00 0.00 C ATOM 421 CD1 TYR A 434 69.054 -0.691 5.463 1.00 0.00 C ATOM 422 CD2 TYR A 434 68.367 -2.755 4.393 1.00 0.00 C ATOM 423 CE1 TYR A 434 68.661 0.028 4.328 1.00 0.00 C ATOM 424 CE2 TYR A 434 67.973 -2.035 3.258 1.00 0.00 C ATOM 425 CZ TYR A 434 68.120 -0.644 3.226 1.00 0.00 C ATOM 426 OH TYR A 434 67.733 0.066 2.107 1.00 0.00 O ATOM 0 H TYR A 434 70.711 -3.555 4.873 1.00 0.00 H new ATOM 0 HA TYR A 434 71.190 -1.786 7.146 1.00 0.00 H new ATOM 0 HB2 TYR A 434 69.022 -3.899 6.630 1.00 0.00 H new ATOM 0 HB3 TYR A 434 68.859 -2.454 7.608 1.00 0.00 H new ATOM 0 HD1 TYR A 434 69.471 -0.172 6.314 1.00 0.00 H new ATOM 0 HD2 TYR A 434 68.254 -3.829 4.418 1.00 0.00 H new ATOM 0 HE1 TYR A 434 68.775 1.102 4.303 1.00 0.00 H new ATOM 0 HE2 TYR A 434 67.556 -2.554 2.408 1.00 0.00 H new ATOM 0 HH TYR A 434 67.380 -0.552 1.434 1.00 0.00 H new ATOM 436 N SER A 435 71.538 -3.252 9.144 1.00 0.00 N ATOM 437 CA SER A 435 72.015 -4.131 10.251 1.00 0.00 C ATOM 438 C SER A 435 70.861 -4.979 10.792 1.00 0.00 C ATOM 439 O SER A 435 71.065 -6.052 11.325 1.00 0.00 O ATOM 440 CB SER A 435 72.524 -3.173 11.327 1.00 0.00 C ATOM 441 OG SER A 435 73.849 -2.768 11.006 1.00 0.00 O ATOM 0 H SER A 435 71.383 -2.277 9.401 1.00 0.00 H new ATOM 0 HA SER A 435 72.789 -4.824 9.921 1.00 0.00 H new ATOM 0 HB2 SER A 435 71.871 -2.303 11.394 1.00 0.00 H new ATOM 0 HB3 SER A 435 72.506 -3.660 12.302 1.00 0.00 H new ATOM 0 HG SER A 435 74.178 -2.152 11.693 1.00 0.00 H new ATOM 447 N THR A 436 69.650 -4.506 10.659 1.00 0.00 N ATOM 448 CA THR A 436 68.484 -5.286 11.169 1.00 0.00 C ATOM 449 C THR A 436 67.980 -6.269 10.102 1.00 0.00 C ATOM 450 O THR A 436 67.081 -7.049 10.346 1.00 0.00 O ATOM 451 CB THR A 436 67.411 -4.241 11.493 1.00 0.00 C ATOM 452 OG1 THR A 436 66.249 -4.896 11.982 1.00 0.00 O ATOM 453 CG2 THR A 436 67.057 -3.444 10.235 1.00 0.00 C ATOM 0 H THR A 436 69.418 -3.615 10.220 1.00 0.00 H new ATOM 0 HA THR A 436 68.746 -5.883 12.042 1.00 0.00 H new ATOM 0 HB THR A 436 67.794 -3.557 12.250 1.00 0.00 H new ATOM 0 HG1 THR A 436 66.178 -5.784 11.573 1.00 0.00 H new ATOM 0 HG21 THR A 436 66.294 -2.704 10.476 1.00 0.00 H new ATOM 0 HG22 THR A 436 67.948 -2.938 9.862 1.00 0.00 H new ATOM 0 HG23 THR A 436 66.677 -4.121 9.470 1.00 0.00 H new ATOM 461 N GLU A 437 68.553 -6.242 8.925 1.00 0.00 N ATOM 462 CA GLU A 437 68.102 -7.180 7.855 1.00 0.00 C ATOM 463 C GLU A 437 69.082 -8.351 7.733 1.00 0.00 C ATOM 464 O GLU A 437 70.193 -8.295 8.222 1.00 0.00 O ATOM 465 CB GLU A 437 68.096 -6.350 6.569 1.00 0.00 C ATOM 466 CG GLU A 437 66.991 -5.294 6.644 1.00 0.00 C ATOM 467 CD GLU A 437 65.626 -5.983 6.725 1.00 0.00 C ATOM 468 OE1 GLU A 437 65.112 -6.358 5.685 1.00 0.00 O ATOM 469 OE2 GLU A 437 65.120 -6.122 7.826 1.00 0.00 O ATOM 0 H GLU A 437 69.311 -5.613 8.660 1.00 0.00 H new ATOM 0 HA GLU A 437 67.121 -7.605 8.067 1.00 0.00 H new ATOM 0 HB2 GLU A 437 69.064 -5.869 6.431 1.00 0.00 H new ATOM 0 HB3 GLU A 437 67.936 -6.998 5.707 1.00 0.00 H new ATOM 0 HG2 GLU A 437 67.141 -4.658 7.516 1.00 0.00 H new ATOM 0 HG3 GLU A 437 67.032 -4.648 5.767 1.00 0.00 H new ATOM 476 N LEU A 438 68.676 -9.412 7.086 1.00 0.00 N ATOM 477 CA LEU A 438 69.581 -10.589 6.933 1.00 0.00 C ATOM 478 C LEU A 438 69.987 -10.756 5.466 1.00 0.00 C ATOM 479 O LEU A 438 71.129 -11.037 5.157 1.00 0.00 O ATOM 480 CB LEU A 438 68.752 -11.790 7.403 1.00 0.00 C ATOM 481 CG LEU A 438 69.326 -12.341 8.714 1.00 0.00 C ATOM 482 CD1 LEU A 438 70.757 -12.833 8.483 1.00 0.00 C ATOM 483 CD2 LEU A 438 69.330 -11.240 9.778 1.00 0.00 C ATOM 0 H LEU A 438 67.756 -9.514 6.657 1.00 0.00 H new ATOM 0 HA LEU A 438 70.502 -10.481 7.506 1.00 0.00 H new ATOM 0 HB2 LEU A 438 67.714 -11.492 7.548 1.00 0.00 H new ATOM 0 HB3 LEU A 438 68.757 -12.567 6.639 1.00 0.00 H new ATOM 0 HG LEU A 438 68.708 -13.172 9.055 1.00 0.00 H new ATOM 0 HD11 LEU A 438 71.162 -13.224 9.416 1.00 0.00 H new ATOM 0 HD12 LEU A 438 70.754 -13.621 7.730 1.00 0.00 H new ATOM 0 HD13 LEU A 438 71.375 -12.004 8.138 1.00 0.00 H new ATOM 0 HD21 LEU A 438 69.738 -11.635 10.708 1.00 0.00 H new ATOM 0 HD22 LEU A 438 69.944 -10.407 9.437 1.00 0.00 H new ATOM 0 HD23 LEU A 438 68.310 -10.894 9.947 1.00 0.00 H new ATOM 495 N ASN A 439 69.060 -10.587 4.562 1.00 0.00 N ATOM 496 CA ASN A 439 69.390 -10.737 3.114 1.00 0.00 C ATOM 497 C ASN A 439 68.241 -10.204 2.253 1.00 0.00 C ATOM 498 O ASN A 439 67.914 -10.763 1.225 1.00 0.00 O ATOM 499 CB ASN A 439 69.569 -12.242 2.901 1.00 0.00 C ATOM 500 CG ASN A 439 70.840 -12.497 2.088 1.00 0.00 C ATOM 501 OD1 ASN A 439 71.273 -11.649 1.333 1.00 0.00 O ATOM 502 ND2 ASN A 439 71.461 -13.638 2.211 1.00 0.00 N ATOM 0 H ASN A 439 68.088 -10.352 4.763 1.00 0.00 H new ATOM 0 HA ASN A 439 70.283 -10.178 2.833 1.00 0.00 H new ATOM 0 HB2 ASN A 439 69.632 -12.751 3.863 1.00 0.00 H new ATOM 0 HB3 ASN A 439 68.704 -12.651 2.380 1.00 0.00 H new ATOM 0 HD21 ASN A 439 72.309 -13.818 1.674 1.00 0.00 H new ATOM 0 HD22 ASN A 439 71.098 -14.350 2.845 1.00 0.00 H new ATOM 509 N LYS A 440 67.627 -9.128 2.667 1.00 0.00 N ATOM 510 CA LYS A 440 66.499 -8.558 1.872 1.00 0.00 C ATOM 511 C LYS A 440 66.421 -7.038 2.074 1.00 0.00 C ATOM 512 O LYS A 440 66.699 -6.544 3.149 1.00 0.00 O ATOM 513 CB LYS A 440 65.242 -9.240 2.419 1.00 0.00 C ATOM 514 CG LYS A 440 65.106 -8.948 3.916 1.00 0.00 C ATOM 515 CD LYS A 440 63.913 -9.721 4.482 1.00 0.00 C ATOM 516 CE LYS A 440 63.524 -9.136 5.841 1.00 0.00 C ATOM 517 NZ LYS A 440 63.049 -10.300 6.639 1.00 0.00 N ATOM 0 H LYS A 440 67.857 -8.619 3.520 1.00 0.00 H new ATOM 0 HA LYS A 440 66.621 -8.729 0.802 1.00 0.00 H new ATOM 0 HB2 LYS A 440 64.361 -8.881 1.887 1.00 0.00 H new ATOM 0 HB3 LYS A 440 65.298 -10.316 2.252 1.00 0.00 H new ATOM 0 HG2 LYS A 440 66.019 -9.235 4.437 1.00 0.00 H new ATOM 0 HG3 LYS A 440 64.969 -7.879 4.078 1.00 0.00 H new ATOM 0 HD2 LYS A 440 63.069 -9.663 3.794 1.00 0.00 H new ATOM 0 HD3 LYS A 440 64.167 -10.776 4.587 1.00 0.00 H new ATOM 0 HE2 LYS A 440 64.374 -8.650 6.320 1.00 0.00 H new ATOM 0 HE3 LYS A 440 62.743 -8.383 5.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 62.764 -9.978 7.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 62.235 -10.739 6.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 63.816 -10.997 6.726 1.00 0.00 H new ATOM 531 N PRO A 441 66.042 -6.343 1.030 1.00 0.00 N ATOM 532 CA PRO A 441 65.927 -4.864 1.103 1.00 0.00 C ATOM 533 C PRO A 441 64.734 -4.452 1.971 1.00 0.00 C ATOM 534 O PRO A 441 63.609 -4.841 1.721 1.00 0.00 O ATOM 535 CB PRO A 441 65.701 -4.448 -0.349 1.00 0.00 C ATOM 536 CG PRO A 441 65.115 -5.656 -1.007 1.00 0.00 C ATOM 537 CD PRO A 441 65.690 -6.856 -0.301 1.00 0.00 C ATOM 0 HA PRO A 441 66.804 -4.395 1.550 1.00 0.00 H new ATOM 0 HB2 PRO A 441 65.026 -3.595 -0.415 1.00 0.00 H new ATOM 0 HB3 PRO A 441 66.636 -4.152 -0.826 1.00 0.00 H new ATOM 0 HG2 PRO A 441 64.028 -5.648 -0.933 1.00 0.00 H new ATOM 0 HG3 PRO A 441 65.362 -5.676 -2.068 1.00 0.00 H new ATOM 0 HD2 PRO A 441 64.966 -7.668 -0.238 1.00 0.00 H new ATOM 0 HD3 PRO A 441 66.563 -7.247 -0.823 1.00 0.00 H new ATOM 545 N ALA A 442 64.971 -3.660 2.982 1.00 0.00 N ATOM 546 CA ALA A 442 63.851 -3.211 3.860 1.00 0.00 C ATOM 547 C ALA A 442 62.924 -2.276 3.078 1.00 0.00 C ATOM 548 O ALA A 442 62.998 -1.068 3.201 1.00 0.00 O ATOM 549 CB ALA A 442 64.524 -2.462 5.012 1.00 0.00 C ATOM 0 H ALA A 442 65.892 -3.304 3.238 1.00 0.00 H new ATOM 0 HA ALA A 442 63.243 -4.041 4.220 1.00 0.00 H new ATOM 0 HB1 ALA A 442 63.764 -2.099 5.704 1.00 0.00 H new ATOM 0 HB2 ALA A 442 65.201 -3.135 5.538 1.00 0.00 H new ATOM 0 HB3 ALA A 442 65.088 -1.617 4.617 1.00 0.00 H new ATOM 555 N MET A 443 62.061 -2.826 2.266 1.00 0.00 N ATOM 556 CA MET A 443 61.135 -1.973 1.462 1.00 0.00 C ATOM 557 C MET A 443 60.302 -1.065 2.371 1.00 0.00 C ATOM 558 O MET A 443 60.119 -1.336 3.542 1.00 0.00 O ATOM 559 CB MET A 443 60.228 -2.958 0.721 1.00 0.00 C ATOM 560 CG MET A 443 59.692 -2.300 -0.554 1.00 0.00 C ATOM 561 SD MET A 443 60.701 -2.811 -1.967 1.00 0.00 S ATOM 562 CE MET A 443 59.371 -2.897 -3.191 1.00 0.00 C ATOM 0 H MET A 443 61.956 -3.831 2.124 1.00 0.00 H new ATOM 0 HA MET A 443 61.679 -1.319 0.780 1.00 0.00 H new ATOM 0 HB2 MET A 443 60.783 -3.862 0.471 1.00 0.00 H new ATOM 0 HB3 MET A 443 59.400 -3.260 1.363 1.00 0.00 H new ATOM 0 HG2 MET A 443 58.652 -2.586 -0.714 1.00 0.00 H new ATOM 0 HG3 MET A 443 59.713 -1.215 -0.452 1.00 0.00 H new ATOM 0 HE1 MET A 443 59.269 -3.922 -3.546 1.00 0.00 H new ATOM 0 HE2 MET A 443 58.435 -2.577 -2.734 1.00 0.00 H new ATOM 0 HE3 MET A 443 59.607 -2.244 -4.031 1.00 0.00 H new ATOM 572 N ILE A 444 59.794 0.008 1.830 1.00 0.00 N ATOM 573 CA ILE A 444 58.964 0.946 2.637 1.00 0.00 C ATOM 574 C ILE A 444 57.641 1.212 1.915 1.00 0.00 C ATOM 575 O ILE A 444 57.564 1.146 0.702 1.00 0.00 O ATOM 576 CB ILE A 444 59.790 2.232 2.739 1.00 0.00 C ATOM 577 CG1 ILE A 444 60.377 2.585 1.368 1.00 0.00 C ATOM 578 CG2 ILE A 444 60.927 2.030 3.742 1.00 0.00 C ATOM 579 CD1 ILE A 444 60.654 4.087 1.298 1.00 0.00 C ATOM 0 H ILE A 444 59.920 0.277 0.854 1.00 0.00 H new ATOM 0 HA ILE A 444 58.723 0.547 3.622 1.00 0.00 H new ATOM 0 HB ILE A 444 59.146 3.045 3.074 1.00 0.00 H new ATOM 0 HG12 ILE A 444 61.299 2.027 1.202 1.00 0.00 H new ATOM 0 HG13 ILE A 444 59.683 2.296 0.579 1.00 0.00 H new ATOM 0 HG21 ILE A 444 61.515 2.945 3.815 1.00 0.00 H new ATOM 0 HG22 ILE A 444 60.511 1.787 4.720 1.00 0.00 H new ATOM 0 HG23 ILE A 444 61.567 1.213 3.407 1.00 0.00 H new ATOM 0 HD11 ILE A 444 61.071 4.335 0.322 1.00 0.00 H new ATOM 0 HD12 ILE A 444 59.724 4.636 1.445 1.00 0.00 H new ATOM 0 HD13 ILE A 444 61.365 4.363 2.077 1.00 0.00 H new ATOM 591 N TYR A 445 56.598 1.506 2.646 1.00 0.00 N ATOM 592 CA TYR A 445 55.282 1.769 1.992 1.00 0.00 C ATOM 593 C TYR A 445 54.976 3.272 1.987 1.00 0.00 C ATOM 594 O TYR A 445 55.171 3.958 2.972 1.00 0.00 O ATOM 595 CB TYR A 445 54.259 0.989 2.832 1.00 0.00 C ATOM 596 CG TYR A 445 53.888 1.771 4.072 1.00 0.00 C ATOM 597 CD1 TYR A 445 52.871 2.730 4.011 1.00 0.00 C ATOM 598 CD2 TYR A 445 54.558 1.536 5.278 1.00 0.00 C ATOM 599 CE1 TYR A 445 52.522 3.455 5.156 1.00 0.00 C ATOM 600 CE2 TYR A 445 54.210 2.261 6.424 1.00 0.00 C ATOM 601 CZ TYR A 445 53.192 3.221 6.363 1.00 0.00 C ATOM 602 OH TYR A 445 52.848 3.936 7.493 1.00 0.00 O ATOM 0 H TYR A 445 56.600 1.575 3.664 1.00 0.00 H new ATOM 0 HA TYR A 445 55.265 1.454 0.949 1.00 0.00 H new ATOM 0 HB2 TYR A 445 53.366 0.792 2.238 1.00 0.00 H new ATOM 0 HB3 TYR A 445 54.674 0.022 3.115 1.00 0.00 H new ATOM 0 HD1 TYR A 445 52.355 2.911 3.080 1.00 0.00 H new ATOM 0 HD2 TYR A 445 55.343 0.796 5.325 1.00 0.00 H new ATOM 0 HE1 TYR A 445 51.736 4.195 5.109 1.00 0.00 H new ATOM 0 HE2 TYR A 445 54.727 2.080 7.355 1.00 0.00 H new ATOM 0 HH TYR A 445 53.409 3.650 8.244 1.00 0.00 H new ATOM 612 N CYS A 446 54.496 3.785 0.885 1.00 0.00 N ATOM 613 CA CYS A 446 54.174 5.241 0.814 1.00 0.00 C ATOM 614 C CYS A 446 52.726 5.484 1.251 1.00 0.00 C ATOM 615 O CYS A 446 51.911 4.582 1.254 1.00 0.00 O ATOM 616 CB CYS A 446 54.358 5.616 -0.656 1.00 0.00 C ATOM 617 SG CYS A 446 54.120 7.400 -0.865 1.00 0.00 S ATOM 0 H CYS A 446 54.313 3.259 0.031 1.00 0.00 H new ATOM 0 HA CYS A 446 54.809 5.837 1.470 1.00 0.00 H new ATOM 0 HB2 CYS A 446 55.355 5.330 -0.992 1.00 0.00 H new ATOM 0 HB3 CYS A 446 53.645 5.069 -1.273 1.00 0.00 H new ATOM 0 HG CYS A 446 54.355 7.727 -2.101 1.00 0.00 H new ATOM 622 N SER A 447 52.402 6.695 1.615 1.00 0.00 N ATOM 623 CA SER A 447 51.008 7.000 2.049 1.00 0.00 C ATOM 624 C SER A 447 50.464 8.200 1.269 1.00 0.00 C ATOM 625 O SER A 447 49.681 8.979 1.775 1.00 0.00 O ATOM 626 CB SER A 447 51.118 7.332 3.536 1.00 0.00 C ATOM 627 OG SER A 447 49.848 7.747 4.021 1.00 0.00 O ATOM 0 H SER A 447 53.043 7.488 1.631 1.00 0.00 H new ATOM 0 HA SER A 447 50.328 6.168 1.868 1.00 0.00 H new ATOM 0 HB2 SER A 447 51.464 6.460 4.090 1.00 0.00 H new ATOM 0 HB3 SER A 447 51.854 8.121 3.691 1.00 0.00 H new ATOM 0 HG SER A 447 49.540 8.524 3.509 1.00 0.00 H new ATOM 633 N HIS A 448 50.877 8.352 0.038 1.00 0.00 N ATOM 634 CA HIS A 448 50.388 9.501 -0.779 1.00 0.00 C ATOM 635 C HIS A 448 49.489 9.000 -1.912 1.00 0.00 C ATOM 636 O HIS A 448 49.960 8.534 -2.931 1.00 0.00 O ATOM 637 CB HIS A 448 51.653 10.148 -1.344 1.00 0.00 C ATOM 638 CG HIS A 448 51.285 11.388 -2.112 1.00 0.00 C ATOM 639 ND1 HIS A 448 51.900 12.609 -1.882 1.00 0.00 N ATOM 640 CD2 HIS A 448 50.369 11.612 -3.111 1.00 0.00 C ATOM 641 CE1 HIS A 448 51.352 13.504 -2.725 1.00 0.00 C ATOM 642 NE2 HIS A 448 50.414 12.948 -3.496 1.00 0.00 N ATOM 0 H HIS A 448 51.532 7.730 -0.437 1.00 0.00 H new ATOM 0 HA HIS A 448 49.796 10.204 -0.193 1.00 0.00 H new ATOM 0 HB2 HIS A 448 52.338 10.399 -0.534 1.00 0.00 H new ATOM 0 HB3 HIS A 448 52.173 9.446 -1.995 1.00 0.00 H new ATOM 0 HD2 HIS A 448 49.714 10.865 -3.533 1.00 0.00 H new ATOM 0 HE1 HIS A 448 51.636 14.545 -2.772 1.00 0.00 H new ATOM 0 HE2 HIS A 448 49.851 13.405 -4.213 1.00 0.00 H new ATOM 650 N GLY A 449 48.197 9.095 -1.742 1.00 0.00 N ATOM 651 CA GLY A 449 47.265 8.627 -2.808 1.00 0.00 C ATOM 652 C GLY A 449 47.439 7.122 -3.019 1.00 0.00 C ATOM 653 O GLY A 449 46.851 6.317 -2.323 1.00 0.00 O ATOM 0 H GLY A 449 47.747 9.477 -0.910 1.00 0.00 H new ATOM 0 HA2 GLY A 449 46.235 8.848 -2.527 1.00 0.00 H new ATOM 0 HA3 GLY A 449 47.463 9.160 -3.738 1.00 0.00 H new ATOM 657 N ASP A 450 48.241 6.737 -3.975 1.00 0.00 N ATOM 658 CA ASP A 450 48.454 5.283 -4.234 1.00 0.00 C ATOM 659 C ASP A 450 49.636 4.766 -3.408 1.00 0.00 C ATOM 660 O ASP A 450 50.777 4.855 -3.818 1.00 0.00 O ATOM 661 CB ASP A 450 48.762 5.189 -5.728 1.00 0.00 C ATOM 662 CG ASP A 450 48.295 3.833 -6.262 1.00 0.00 C ATOM 663 OD1 ASP A 450 48.977 2.854 -6.013 1.00 0.00 O ATOM 664 OD2 ASP A 450 47.262 3.799 -6.911 1.00 0.00 O ATOM 0 H ASP A 450 48.758 7.367 -4.588 1.00 0.00 H new ATOM 0 HA ASP A 450 47.587 4.682 -3.958 1.00 0.00 H new ATOM 0 HB2 ASP A 450 48.261 5.995 -6.265 1.00 0.00 H new ATOM 0 HB3 ASP A 450 49.832 5.310 -5.898 1.00 0.00 H new ATOM 669 N GLY A 451 49.370 4.227 -2.249 1.00 0.00 N ATOM 670 CA GLY A 451 50.475 3.703 -1.396 1.00 0.00 C ATOM 671 C GLY A 451 51.153 2.529 -2.105 1.00 0.00 C ATOM 672 O GLY A 451 50.514 1.564 -2.477 1.00 0.00 O ATOM 0 H GLY A 451 48.434 4.127 -1.856 1.00 0.00 H new ATOM 0 HA2 GLY A 451 51.202 4.491 -1.199 1.00 0.00 H new ATOM 0 HA3 GLY A 451 50.083 3.382 -0.431 1.00 0.00 H new ATOM 676 N HIS A 452 52.445 2.598 -2.284 1.00 0.00 N ATOM 677 CA HIS A 452 53.168 1.479 -2.957 1.00 0.00 C ATOM 678 C HIS A 452 54.367 1.045 -2.125 1.00 0.00 C ATOM 679 O HIS A 452 54.672 1.621 -1.099 1.00 0.00 O ATOM 680 CB HIS A 452 53.626 2.000 -4.325 1.00 0.00 C ATOM 681 CG HIS A 452 54.407 3.283 -4.182 1.00 0.00 C ATOM 682 ND1 HIS A 452 55.692 3.423 -4.688 1.00 0.00 N ATOM 683 CD2 HIS A 452 54.104 4.491 -3.603 1.00 0.00 C ATOM 684 CE1 HIS A 452 56.105 4.672 -4.404 1.00 0.00 C ATOM 685 NE2 HIS A 452 55.175 5.359 -3.743 1.00 0.00 N ATOM 0 H HIS A 452 53.031 3.380 -1.994 1.00 0.00 H new ATOM 0 HA HIS A 452 52.519 0.611 -3.071 1.00 0.00 H new ATOM 0 HB2 HIS A 452 54.243 1.248 -4.817 1.00 0.00 H new ATOM 0 HB3 HIS A 452 52.758 2.168 -4.963 1.00 0.00 H new ATOM 0 HD1 HIS A 452 56.226 2.710 -5.184 1.00 0.00 H new ATOM 0 HD2 HIS A 452 53.172 4.729 -3.113 1.00 0.00 H new ATOM 0 HE1 HIS A 452 57.071 5.068 -4.678 1.00 0.00 H new ATOM 693 N TRP A 453 55.042 0.025 -2.565 1.00 0.00 N ATOM 694 CA TRP A 453 56.224 -0.479 -1.817 1.00 0.00 C ATOM 695 C TRP A 453 57.507 -0.205 -2.609 1.00 0.00 C ATOM 696 O TRP A 453 57.575 -0.453 -3.797 1.00 0.00 O ATOM 697 CB TRP A 453 55.973 -1.979 -1.696 1.00 0.00 C ATOM 698 CG TRP A 453 55.188 -2.260 -0.455 1.00 0.00 C ATOM 699 CD1 TRP A 453 53.868 -2.554 -0.423 1.00 0.00 C ATOM 700 CD2 TRP A 453 55.644 -2.280 0.929 1.00 0.00 C ATOM 701 NE1 TRP A 453 53.485 -2.753 0.890 1.00 0.00 N ATOM 702 CE2 TRP A 453 54.544 -2.595 1.762 1.00 0.00 C ATOM 703 CE3 TRP A 453 56.893 -2.057 1.538 1.00 0.00 C ATOM 704 CZ2 TRP A 453 54.677 -2.687 3.147 1.00 0.00 C ATOM 705 CZ3 TRP A 453 57.030 -2.148 2.933 1.00 0.00 C ATOM 706 CH2 TRP A 453 55.925 -2.462 3.736 1.00 0.00 C ATOM 0 H TRP A 453 54.824 -0.487 -3.420 1.00 0.00 H new ATOM 0 HA TRP A 453 56.350 0.001 -0.847 1.00 0.00 H new ATOM 0 HB2 TRP A 453 55.430 -2.338 -2.570 1.00 0.00 H new ATOM 0 HB3 TRP A 453 56.922 -2.515 -1.667 1.00 0.00 H new ATOM 0 HD1 TRP A 453 53.219 -2.622 -1.284 1.00 0.00 H new ATOM 0 HE1 TRP A 453 52.536 -2.988 1.180 1.00 0.00 H new ATOM 0 HE3 TRP A 453 57.751 -1.814 0.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 453 53.822 -2.930 3.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 453 57.993 -1.975 3.390 1.00 0.00 H new ATOM 0 HH2 TRP A 453 56.037 -2.530 4.808 1.00 0.00 H new ATOM 717 N VAL A 454 58.523 0.307 -1.963 1.00 0.00 N ATOM 718 CA VAL A 454 59.799 0.599 -2.687 1.00 0.00 C ATOM 719 C VAL A 454 60.996 0.499 -1.731 1.00 0.00 C ATOM 720 O VAL A 454 60.877 0.738 -0.547 1.00 0.00 O ATOM 721 CB VAL A 454 59.640 2.030 -3.210 1.00 0.00 C ATOM 722 CG1 VAL A 454 58.509 2.079 -4.239 1.00 0.00 C ATOM 723 CG2 VAL A 454 59.305 2.964 -2.051 1.00 0.00 C ATOM 0 H VAL A 454 58.526 0.535 -0.969 1.00 0.00 H new ATOM 0 HA VAL A 454 59.986 -0.111 -3.493 1.00 0.00 H new ATOM 0 HB VAL A 454 60.573 2.346 -3.677 1.00 0.00 H new ATOM 0 HG11 VAL A 454 58.398 3.098 -4.609 1.00 0.00 H new ATOM 0 HG12 VAL A 454 58.744 1.414 -5.070 1.00 0.00 H new ATOM 0 HG13 VAL A 454 57.578 1.759 -3.771 1.00 0.00 H new ATOM 0 HG21 VAL A 454 59.192 3.982 -2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 454 58.374 2.644 -1.583 1.00 0.00 H new ATOM 0 HG23 VAL A 454 60.109 2.935 -1.316 1.00 0.00 H new ATOM 733 N HIS A 455 62.149 0.144 -2.241 1.00 0.00 N ATOM 734 CA HIS A 455 63.358 0.022 -1.367 1.00 0.00 C ATOM 735 C HIS A 455 63.673 1.368 -0.708 1.00 0.00 C ATOM 736 O HIS A 455 63.199 2.403 -1.134 1.00 0.00 O ATOM 737 CB HIS A 455 64.503 -0.396 -2.302 1.00 0.00 C ATOM 738 CG HIS A 455 64.092 -1.598 -3.094 1.00 0.00 C ATOM 739 ND1 HIS A 455 63.972 -1.577 -4.490 1.00 0.00 N ATOM 740 CD2 HIS A 455 63.717 -2.849 -2.700 1.00 0.00 C ATOM 741 CE1 HIS A 455 63.523 -2.794 -4.874 1.00 0.00 C ATOM 742 NE2 HIS A 455 63.363 -3.575 -3.818 1.00 0.00 N ATOM 0 H HIS A 455 62.306 -0.067 -3.226 1.00 0.00 H new ATOM 0 HA HIS A 455 63.207 -0.702 -0.566 1.00 0.00 H new ATOM 0 HB2 HIS A 455 64.756 0.425 -2.973 1.00 0.00 H new ATOM 0 HB3 HIS A 455 65.397 -0.620 -1.721 1.00 0.00 H new ATOM 0 HD2 HIS A 455 63.700 -3.211 -1.682 1.00 0.00 H new ATOM 0 HE1 HIS A 455 63.324 -3.086 -5.895 1.00 0.00 H new ATOM 0 HE2 HIS A 455 63.036 -4.541 -3.829 1.00 0.00 H new ATOM 750 N ALA A 456 64.470 1.360 0.327 1.00 0.00 N ATOM 751 CA ALA A 456 64.817 2.637 1.016 1.00 0.00 C ATOM 752 C ALA A 456 66.165 3.162 0.511 1.00 0.00 C ATOM 753 O ALA A 456 66.283 4.301 0.103 1.00 0.00 O ATOM 754 CB ALA A 456 64.904 2.275 2.499 1.00 0.00 C ATOM 0 H ALA A 456 64.896 0.523 0.725 1.00 0.00 H new ATOM 0 HA ALA A 456 64.082 3.420 0.830 1.00 0.00 H new ATOM 0 HB1 ALA A 456 65.156 3.164 3.076 1.00 0.00 H new ATOM 0 HB2 ALA A 456 63.943 1.885 2.835 1.00 0.00 H new ATOM 0 HB3 ALA A 456 65.674 1.518 2.644 1.00 0.00 H new ATOM 760 N GLN A 457 67.180 2.340 0.537 1.00 0.00 N ATOM 761 CA GLN A 457 68.523 2.790 0.059 1.00 0.00 C ATOM 762 C GLN A 457 68.441 3.264 -1.396 1.00 0.00 C ATOM 763 O GLN A 457 69.240 4.062 -1.843 1.00 0.00 O ATOM 764 CB GLN A 457 69.420 1.556 0.172 1.00 0.00 C ATOM 765 CG GLN A 457 70.845 1.918 -0.251 1.00 0.00 C ATOM 766 CD GLN A 457 71.447 2.891 0.764 1.00 0.00 C ATOM 767 OE1 GLN A 457 72.075 2.479 1.719 1.00 0.00 O ATOM 768 NE2 GLN A 457 71.282 4.175 0.598 1.00 0.00 N ATOM 0 H GLN A 457 67.139 1.376 0.868 1.00 0.00 H new ATOM 0 HA GLN A 457 68.906 3.627 0.642 1.00 0.00 H new ATOM 0 HB2 GLN A 457 69.417 1.184 1.197 1.00 0.00 H new ATOM 0 HB3 GLN A 457 69.035 0.755 -0.459 1.00 0.00 H new ATOM 0 HG2 GLN A 457 71.456 1.018 -0.315 1.00 0.00 H new ATOM 0 HG3 GLN A 457 70.838 2.369 -1.243 1.00 0.00 H new ATOM 0 HE21 GLN A 457 70.755 4.522 -0.203 1.00 0.00 H new ATOM 0 HE22 GLN A 457 71.680 4.831 1.270 1.00 0.00 H new ATOM 777 N CYS A 458 67.479 2.779 -2.136 1.00 0.00 N ATOM 778 CA CYS A 458 67.344 3.203 -3.561 1.00 0.00 C ATOM 779 C CYS A 458 67.129 4.717 -3.647 1.00 0.00 C ATOM 780 O CYS A 458 67.390 5.333 -4.662 1.00 0.00 O ATOM 781 CB CYS A 458 66.113 2.459 -4.083 1.00 0.00 C ATOM 782 SG CYS A 458 66.629 0.935 -4.914 1.00 0.00 S ATOM 0 H CYS A 458 66.781 2.108 -1.816 1.00 0.00 H new ATOM 0 HA CYS A 458 68.237 2.975 -4.143 1.00 0.00 H new ATOM 0 HB2 CYS A 458 65.440 2.225 -3.258 1.00 0.00 H new ATOM 0 HB3 CYS A 458 65.559 3.093 -4.776 1.00 0.00 H new ATOM 0 HG CYS A 458 65.671 0.059 -4.849 1.00 0.00 H new ATOM 787 N MET A 459 66.654 5.321 -2.589 1.00 0.00 N ATOM 788 CA MET A 459 66.419 6.796 -2.611 1.00 0.00 C ATOM 789 C MET A 459 67.445 7.510 -1.728 1.00 0.00 C ATOM 790 O MET A 459 67.168 8.544 -1.151 1.00 0.00 O ATOM 791 CB MET A 459 65.007 6.986 -2.049 1.00 0.00 C ATOM 792 CG MET A 459 64.011 6.135 -2.844 1.00 0.00 C ATOM 793 SD MET A 459 63.937 6.723 -4.554 1.00 0.00 S ATOM 794 CE MET A 459 62.727 5.519 -5.155 1.00 0.00 C ATOM 0 H MET A 459 66.419 4.858 -1.711 1.00 0.00 H new ATOM 0 HA MET A 459 66.518 7.211 -3.614 1.00 0.00 H new ATOM 0 HB2 MET A 459 64.983 6.701 -0.997 1.00 0.00 H new ATOM 0 HB3 MET A 459 64.724 8.037 -2.101 1.00 0.00 H new ATOM 0 HG2 MET A 459 64.313 5.088 -2.822 1.00 0.00 H new ATOM 0 HG3 MET A 459 63.023 6.191 -2.387 1.00 0.00 H new ATOM 0 HE1 MET A 459 63.120 5.020 -6.041 1.00 0.00 H new ATOM 0 HE2 MET A 459 62.533 4.780 -4.378 1.00 0.00 H new ATOM 0 HE3 MET A 459 61.799 6.031 -5.408 1.00 0.00 H new ATOM 804 N ASP A 460 68.631 6.967 -1.618 1.00 0.00 N ATOM 805 CA ASP A 460 69.683 7.611 -0.772 1.00 0.00 C ATOM 806 C ASP A 460 69.145 7.892 0.635 1.00 0.00 C ATOM 807 O ASP A 460 69.236 8.997 1.134 1.00 0.00 O ATOM 808 CB ASP A 460 70.028 8.920 -1.487 1.00 0.00 C ATOM 809 CG ASP A 460 71.249 8.707 -2.383 1.00 0.00 C ATOM 810 OD1 ASP A 460 72.285 8.332 -1.859 1.00 0.00 O ATOM 811 OD2 ASP A 460 71.128 8.924 -3.578 1.00 0.00 O ATOM 0 H ASP A 460 68.917 6.103 -2.079 1.00 0.00 H new ATOM 0 HA ASP A 460 70.557 6.970 -0.651 1.00 0.00 H new ATOM 0 HB2 ASP A 460 69.180 9.255 -2.084 1.00 0.00 H new ATOM 0 HB3 ASP A 460 70.232 9.703 -0.756 1.00 0.00 H new ATOM 816 N LEU A 461 68.586 6.901 1.277 1.00 0.00 N ATOM 817 CA LEU A 461 68.044 7.110 2.653 1.00 0.00 C ATOM 818 C LEU A 461 69.031 6.578 3.696 1.00 0.00 C ATOM 819 O LEU A 461 69.954 5.854 3.377 1.00 0.00 O ATOM 820 CB LEU A 461 66.737 6.314 2.693 1.00 0.00 C ATOM 821 CG LEU A 461 65.553 7.276 2.807 1.00 0.00 C ATOM 822 CD1 LEU A 461 64.359 6.712 2.036 1.00 0.00 C ATOM 823 CD2 LEU A 461 65.173 7.444 4.281 1.00 0.00 C ATOM 0 H LEU A 461 68.481 5.956 0.909 1.00 0.00 H new ATOM 0 HA LEU A 461 67.883 8.165 2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 461 66.641 5.708 1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 461 66.743 5.627 3.540 1.00 0.00 H new ATOM 0 HG LEU A 461 65.831 8.244 2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 461 63.516 7.398 2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 461 64.628 6.591 0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 461 64.081 5.744 2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 461 64.329 8.129 4.363 1.00 0.00 H new ATOM 0 HD22 LEU A 461 64.896 6.476 4.698 1.00 0.00 H new ATOM 0 HD23 LEU A 461 66.023 7.847 4.832 1.00 0.00 H new ATOM 835 N GLU A 462 68.842 6.931 4.939 1.00 0.00 N ATOM 836 CA GLU A 462 69.767 6.446 6.004 1.00 0.00 C ATOM 837 C GLU A 462 69.161 5.238 6.722 1.00 0.00 C ATOM 838 O GLU A 462 67.959 5.129 6.866 1.00 0.00 O ATOM 839 CB GLU A 462 69.913 7.624 6.968 1.00 0.00 C ATOM 840 CG GLU A 462 70.552 8.806 6.237 1.00 0.00 C ATOM 841 CD GLU A 462 71.197 9.748 7.255 1.00 0.00 C ATOM 842 OE1 GLU A 462 72.070 9.297 7.979 1.00 0.00 O ATOM 843 OE2 GLU A 462 70.808 10.903 7.294 1.00 0.00 O ATOM 0 H GLU A 462 68.086 7.535 5.263 1.00 0.00 H new ATOM 0 HA GLU A 462 70.728 6.126 5.601 1.00 0.00 H new ATOM 0 HB2 GLU A 462 68.937 7.910 7.360 1.00 0.00 H new ATOM 0 HB3 GLU A 462 70.527 7.335 7.821 1.00 0.00 H new ATOM 0 HG2 GLU A 462 71.301 8.448 5.531 1.00 0.00 H new ATOM 0 HG3 GLU A 462 69.798 9.340 5.658 1.00 0.00 H new ATOM 850 N GLU A 463 69.985 4.330 7.174 1.00 0.00 N ATOM 851 CA GLU A 463 69.457 3.128 7.885 1.00 0.00 C ATOM 852 C GLU A 463 68.741 3.547 9.171 1.00 0.00 C ATOM 853 O GLU A 463 67.719 2.996 9.531 1.00 0.00 O ATOM 854 CB GLU A 463 70.689 2.282 8.208 1.00 0.00 C ATOM 855 CG GLU A 463 70.248 0.895 8.678 1.00 0.00 C ATOM 856 CD GLU A 463 69.973 0.928 10.182 1.00 0.00 C ATOM 857 OE1 GLU A 463 70.713 1.596 10.885 1.00 0.00 O ATOM 858 OE2 GLU A 463 69.026 0.286 10.606 1.00 0.00 O ATOM 0 H GLU A 463 71.000 4.368 7.082 1.00 0.00 H new ATOM 0 HA GLU A 463 68.734 2.578 7.283 1.00 0.00 H new ATOM 0 HB2 GLU A 463 71.324 2.194 7.326 1.00 0.00 H new ATOM 0 HB3 GLU A 463 71.284 2.768 8.982 1.00 0.00 H new ATOM 0 HG2 GLU A 463 69.352 0.586 8.141 1.00 0.00 H new ATOM 0 HG3 GLU A 463 71.022 0.161 8.455 1.00 0.00 H new ATOM 865 N ARG A 464 69.270 4.519 9.865 1.00 0.00 N ATOM 866 CA ARG A 464 68.621 4.977 11.129 1.00 0.00 C ATOM 867 C ARG A 464 67.220 5.517 10.837 1.00 0.00 C ATOM 868 O ARG A 464 66.241 5.045 11.380 1.00 0.00 O ATOM 869 CB ARG A 464 69.526 6.089 11.665 1.00 0.00 C ATOM 870 CG ARG A 464 69.723 5.908 13.172 1.00 0.00 C ATOM 871 CD ARG A 464 70.792 4.840 13.427 1.00 0.00 C ATOM 872 NE ARG A 464 70.085 3.755 14.162 1.00 0.00 N ATOM 873 CZ ARG A 464 70.673 3.151 15.158 1.00 0.00 C ATOM 874 NH1 ARG A 464 71.797 2.517 14.964 1.00 0.00 N ATOM 875 NH2 ARG A 464 70.137 3.180 16.347 1.00 0.00 N ATOM 0 H ARG A 464 70.124 5.016 9.612 1.00 0.00 H new ATOM 0 HA ARG A 464 68.506 4.167 11.849 1.00 0.00 H new ATOM 0 HB2 ARG A 464 70.490 6.064 11.156 1.00 0.00 H new ATOM 0 HB3 ARG A 464 69.082 7.063 11.460 1.00 0.00 H new ATOM 0 HG2 ARG A 464 70.023 6.853 13.626 1.00 0.00 H new ATOM 0 HG3 ARG A 464 68.783 5.615 13.639 1.00 0.00 H new ATOM 0 HD2 ARG A 464 71.214 4.473 12.492 1.00 0.00 H new ATOM 0 HD3 ARG A 464 71.618 5.241 14.014 1.00 0.00 H new ATOM 0 HE ARG A 464 69.141 3.484 13.887 1.00 0.00 H new ATOM 0 HH11 ARG A 464 72.216 2.494 14.034 1.00 0.00 H new ATOM 0 HH12 ARG A 464 72.257 2.045 15.742 1.00 0.00 H new ATOM 0 HH21 ARG A 464 69.258 3.675 16.498 1.00 0.00 H new ATOM 0 HH22 ARG A 464 70.597 2.708 17.125 1.00 0.00 H new ATOM 889 N THR A 465 67.118 6.503 9.981 1.00 0.00 N ATOM 890 CA THR A 465 65.777 7.078 9.650 1.00 0.00 C ATOM 891 C THR A 465 64.775 5.957 9.359 1.00 0.00 C ATOM 892 O THR A 465 63.635 6.010 9.776 1.00 0.00 O ATOM 893 CB THR A 465 66.006 7.932 8.401 1.00 0.00 C ATOM 894 OG1 THR A 465 67.026 8.886 8.663 1.00 0.00 O ATOM 895 CG2 THR A 465 64.711 8.655 8.030 1.00 0.00 C ATOM 0 H THR A 465 67.905 6.935 9.497 1.00 0.00 H new ATOM 0 HA THR A 465 65.366 7.663 10.473 1.00 0.00 H new ATOM 0 HB THR A 465 66.311 7.292 7.573 1.00 0.00 H new ATOM 0 HG1 THR A 465 67.175 9.433 7.864 1.00 0.00 H new ATOM 0 HG21 THR A 465 64.876 9.263 7.140 1.00 0.00 H new ATOM 0 HG22 THR A 465 63.930 7.922 7.829 1.00 0.00 H new ATOM 0 HG23 THR A 465 64.403 9.296 8.856 1.00 0.00 H new ATOM 903 N LEU A 466 65.197 4.936 8.661 1.00 0.00 N ATOM 904 CA LEU A 466 64.270 3.806 8.363 1.00 0.00 C ATOM 905 C LEU A 466 63.859 3.132 9.673 1.00 0.00 C ATOM 906 O LEU A 466 62.719 2.750 9.853 1.00 0.00 O ATOM 907 CB LEU A 466 65.074 2.843 7.487 1.00 0.00 C ATOM 908 CG LEU A 466 64.153 2.217 6.439 1.00 0.00 C ATOM 909 CD1 LEU A 466 64.982 1.377 5.465 1.00 0.00 C ATOM 910 CD2 LEU A 466 63.125 1.321 7.135 1.00 0.00 C ATOM 0 H LEU A 466 66.140 4.836 8.286 1.00 0.00 H new ATOM 0 HA LEU A 466 63.359 4.130 7.861 1.00 0.00 H new ATOM 0 HB2 LEU A 466 65.890 3.375 6.998 1.00 0.00 H new ATOM 0 HB3 LEU A 466 65.524 2.064 8.103 1.00 0.00 H new ATOM 0 HG LEU A 466 63.638 3.006 5.891 1.00 0.00 H new ATOM 0 HD11 LEU A 466 64.325 0.931 4.718 1.00 0.00 H new ATOM 0 HD12 LEU A 466 65.716 2.013 4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 466 65.497 0.588 6.013 1.00 0.00 H new ATOM 0 HD21 LEU A 466 62.468 0.874 6.389 1.00 0.00 H new ATOM 0 HD22 LEU A 466 63.641 0.533 7.683 1.00 0.00 H new ATOM 0 HD23 LEU A 466 62.533 1.918 7.829 1.00 0.00 H new ATOM 922 N ILE A 467 64.775 3.005 10.599 1.00 0.00 N ATOM 923 CA ILE A 467 64.425 2.380 11.906 1.00 0.00 C ATOM 924 C ILE A 467 63.437 3.291 12.629 1.00 0.00 C ATOM 925 O ILE A 467 62.397 2.867 13.094 1.00 0.00 O ATOM 926 CB ILE A 467 65.759 2.269 12.674 1.00 0.00 C ATOM 927 CG1 ILE A 467 65.890 0.858 13.253 1.00 0.00 C ATOM 928 CG2 ILE A 467 65.826 3.293 13.822 1.00 0.00 C ATOM 929 CD1 ILE A 467 67.362 0.440 13.253 1.00 0.00 C ATOM 0 H ILE A 467 65.745 3.306 10.506 1.00 0.00 H new ATOM 0 HA ILE A 467 63.957 1.401 11.808 1.00 0.00 H new ATOM 0 HB ILE A 467 66.574 2.474 11.980 1.00 0.00 H new ATOM 0 HG12 ILE A 467 65.494 0.832 14.268 1.00 0.00 H new ATOM 0 HG13 ILE A 467 65.302 0.155 12.663 1.00 0.00 H new ATOM 0 HG21 ILE A 467 66.777 3.191 14.345 1.00 0.00 H new ATOM 0 HG22 ILE A 467 65.741 4.301 13.416 1.00 0.00 H new ATOM 0 HG23 ILE A 467 65.007 3.113 14.519 1.00 0.00 H new ATOM 0 HD11 ILE A 467 67.455 -0.565 13.665 1.00 0.00 H new ATOM 0 HD12 ILE A 467 67.743 0.450 12.232 1.00 0.00 H new ATOM 0 HD13 ILE A 467 67.938 1.137 13.862 1.00 0.00 H new ATOM 941 N HIS A 468 63.766 4.550 12.710 1.00 0.00 N ATOM 942 CA HIS A 468 62.870 5.521 13.386 1.00 0.00 C ATOM 943 C HIS A 468 61.493 5.474 12.722 1.00 0.00 C ATOM 944 O HIS A 468 60.476 5.339 13.375 1.00 0.00 O ATOM 945 CB HIS A 468 63.551 6.879 13.169 1.00 0.00 C ATOM 946 CG HIS A 468 62.660 7.977 13.668 1.00 0.00 C ATOM 947 ND1 HIS A 468 63.071 8.907 14.609 1.00 0.00 N ATOM 948 CD2 HIS A 468 61.373 8.301 13.354 1.00 0.00 C ATOM 949 CE1 HIS A 468 62.038 9.742 14.826 1.00 0.00 C ATOM 950 NE2 HIS A 468 60.975 9.417 14.085 1.00 0.00 N ATOM 0 H HIS A 468 64.626 4.948 12.332 1.00 0.00 H new ATOM 0 HA HIS A 468 62.719 5.316 14.446 1.00 0.00 H new ATOM 0 HB2 HIS A 468 64.506 6.906 13.694 1.00 0.00 H new ATOM 0 HB3 HIS A 468 63.765 7.024 12.110 1.00 0.00 H new ATOM 0 HD2 HIS A 468 60.755 7.771 12.644 1.00 0.00 H new ATOM 0 HE1 HIS A 468 62.065 10.573 15.515 1.00 0.00 H new ATOM 0 HE2 HIS A 468 60.069 9.885 14.060 1.00 0.00 H new ATOM 958 N LEU A 469 61.463 5.574 11.423 1.00 0.00 N ATOM 959 CA LEU A 469 60.164 5.529 10.695 1.00 0.00 C ATOM 960 C LEU A 469 59.494 4.164 10.888 1.00 0.00 C ATOM 961 O LEU A 469 58.316 4.004 10.636 1.00 0.00 O ATOM 962 CB LEU A 469 60.532 5.753 9.226 1.00 0.00 C ATOM 963 CG LEU A 469 60.209 7.197 8.840 1.00 0.00 C ATOM 964 CD1 LEU A 469 60.811 7.507 7.470 1.00 0.00 C ATOM 965 CD2 LEU A 469 58.691 7.384 8.786 1.00 0.00 C ATOM 0 H LEU A 469 62.286 5.686 10.831 1.00 0.00 H new ATOM 0 HA LEU A 469 59.457 6.276 11.056 1.00 0.00 H new ATOM 0 HB2 LEU A 469 61.592 5.551 9.069 1.00 0.00 H new ATOM 0 HB3 LEU A 469 59.978 5.062 8.591 1.00 0.00 H new ATOM 0 HG LEU A 469 60.632 7.874 9.583 1.00 0.00 H new ATOM 0 HD11 LEU A 469 60.580 8.536 7.196 1.00 0.00 H new ATOM 0 HD12 LEU A 469 61.892 7.376 7.510 1.00 0.00 H new ATOM 0 HD13 LEU A 469 60.390 6.830 6.726 1.00 0.00 H new ATOM 0 HD21 LEU A 469 58.461 8.413 8.511 1.00 0.00 H new ATOM 0 HD22 LEU A 469 58.267 6.707 8.045 1.00 0.00 H new ATOM 0 HD23 LEU A 469 58.262 7.165 9.764 1.00 0.00 H new ATOM 977 N SER A 470 60.232 3.182 11.339 1.00 0.00 N ATOM 978 CA SER A 470 59.630 1.835 11.553 1.00 0.00 C ATOM 979 C SER A 470 59.073 1.721 12.978 1.00 0.00 C ATOM 980 O SER A 470 58.688 0.655 13.417 1.00 0.00 O ATOM 981 CB SER A 470 60.780 0.850 11.346 1.00 0.00 C ATOM 982 OG SER A 470 60.598 0.168 10.112 1.00 0.00 O ATOM 0 H SER A 470 61.223 3.256 11.567 1.00 0.00 H new ATOM 0 HA SER A 470 58.800 1.642 10.873 1.00 0.00 H new ATOM 0 HB2 SER A 470 61.732 1.380 11.345 1.00 0.00 H new ATOM 0 HB3 SER A 470 60.814 0.135 12.168 1.00 0.00 H new ATOM 0 HG SER A 470 61.335 -0.463 9.975 1.00 0.00 H new ATOM 988 N GLU A 471 59.027 2.810 13.703 1.00 0.00 N ATOM 989 CA GLU A 471 58.496 2.758 15.097 1.00 0.00 C ATOM 990 C GLU A 471 57.003 2.415 15.084 1.00 0.00 C ATOM 991 O GLU A 471 56.479 1.854 16.026 1.00 0.00 O ATOM 992 CB GLU A 471 58.718 4.163 15.660 1.00 0.00 C ATOM 993 CG GLU A 471 58.415 4.166 17.160 1.00 0.00 C ATOM 994 CD GLU A 471 56.952 4.553 17.385 1.00 0.00 C ATOM 995 OE1 GLU A 471 56.526 5.540 16.809 1.00 0.00 O ATOM 996 OE2 GLU A 471 56.283 3.855 18.129 1.00 0.00 O ATOM 0 H GLU A 471 59.334 3.731 13.390 1.00 0.00 H new ATOM 0 HA GLU A 471 58.991 1.995 15.698 1.00 0.00 H new ATOM 0 HB2 GLU A 471 59.747 4.478 15.485 1.00 0.00 H new ATOM 0 HB3 GLU A 471 58.075 4.878 15.147 1.00 0.00 H new ATOM 0 HG2 GLU A 471 58.611 3.181 17.583 1.00 0.00 H new ATOM 0 HG3 GLU A 471 59.071 4.869 17.673 1.00 0.00 H new ATOM 1003 N GLY A 472 56.316 2.746 14.023 1.00 0.00 N ATOM 1004 CA GLY A 472 54.859 2.437 13.950 1.00 0.00 C ATOM 1005 C GLY A 472 54.092 3.675 13.481 1.00 0.00 C ATOM 1006 O GLY A 472 53.800 3.830 12.312 1.00 0.00 O ATOM 0 H GLY A 472 56.701 3.217 13.204 1.00 0.00 H new ATOM 0 HA2 GLY A 472 54.687 1.609 13.263 1.00 0.00 H new ATOM 0 HA3 GLY A 472 54.495 2.121 14.928 1.00 0.00 H new ATOM 1010 N SER A 473 53.762 4.557 14.387 1.00 0.00 N ATOM 1011 CA SER A 473 53.010 5.786 13.996 1.00 0.00 C ATOM 1012 C SER A 473 53.958 6.811 13.366 1.00 0.00 C ATOM 1013 O SER A 473 54.704 7.483 14.051 1.00 0.00 O ATOM 1014 CB SER A 473 52.428 6.327 15.302 1.00 0.00 C ATOM 1015 OG SER A 473 53.480 6.524 16.238 1.00 0.00 O ATOM 0 H SER A 473 53.980 4.480 15.380 1.00 0.00 H new ATOM 0 HA SER A 473 52.234 5.577 13.259 1.00 0.00 H new ATOM 0 HB2 SER A 473 51.907 7.267 15.120 1.00 0.00 H new ATOM 0 HB3 SER A 473 51.694 5.628 15.704 1.00 0.00 H new ATOM 0 HG SER A 473 54.240 6.950 15.790 1.00 0.00 H new ATOM 1021 N ASN A 474 53.931 6.935 12.066 1.00 0.00 N ATOM 1022 CA ASN A 474 54.828 7.917 11.389 1.00 0.00 C ATOM 1023 C ASN A 474 54.414 8.086 9.924 1.00 0.00 C ATOM 1024 O ASN A 474 54.385 7.137 9.166 1.00 0.00 O ATOM 1025 CB ASN A 474 56.230 7.309 11.486 1.00 0.00 C ATOM 1026 CG ASN A 474 57.192 8.332 12.094 1.00 0.00 C ATOM 1027 OD1 ASN A 474 57.957 8.959 11.389 1.00 0.00 O ATOM 1028 ND2 ASN A 474 57.187 8.528 13.385 1.00 0.00 N ATOM 0 H ASN A 474 53.327 6.399 11.443 1.00 0.00 H new ATOM 0 HA ASN A 474 54.782 8.904 11.848 1.00 0.00 H new ATOM 0 HB2 ASN A 474 56.205 6.409 12.100 1.00 0.00 H new ATOM 0 HB3 ASN A 474 56.577 7.011 10.497 1.00 0.00 H new ATOM 0 HD21 ASN A 474 57.825 9.207 13.800 1.00 0.00 H new ATOM 0 HD22 ASN A 474 56.545 8.002 13.978 1.00 0.00 H new ATOM 1035 N LYS A 475 54.097 9.288 9.522 1.00 0.00 N ATOM 1036 CA LYS A 475 53.688 9.520 8.105 1.00 0.00 C ATOM 1037 C LYS A 475 54.862 9.224 7.167 1.00 0.00 C ATOM 1038 O LYS A 475 55.581 10.115 6.759 1.00 0.00 O ATOM 1039 CB LYS A 475 53.306 11.000 8.036 1.00 0.00 C ATOM 1040 CG LYS A 475 51.939 11.211 8.693 1.00 0.00 C ATOM 1041 CD LYS A 475 50.876 11.432 7.613 1.00 0.00 C ATOM 1042 CE LYS A 475 49.861 12.470 8.097 1.00 0.00 C ATOM 1043 NZ LYS A 475 49.106 11.790 9.187 1.00 0.00 N ATOM 0 H LYS A 475 54.103 10.119 10.113 1.00 0.00 H new ATOM 0 HA LYS A 475 52.864 8.875 7.801 1.00 0.00 H new ATOM 0 HB2 LYS A 475 54.060 11.604 8.541 1.00 0.00 H new ATOM 0 HB3 LYS A 475 53.276 11.330 6.998 1.00 0.00 H new ATOM 0 HG2 LYS A 475 51.679 10.344 9.301 1.00 0.00 H new ATOM 0 HG3 LYS A 475 51.975 12.070 9.363 1.00 0.00 H new ATOM 0 HD2 LYS A 475 51.346 11.771 6.690 1.00 0.00 H new ATOM 0 HD3 LYS A 475 50.371 10.493 7.387 1.00 0.00 H new ATOM 0 HE2 LYS A 475 50.359 13.368 8.462 1.00 0.00 H new ATOM 0 HE3 LYS A 475 49.197 12.779 7.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 48.248 12.335 9.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 48.838 10.833 8.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 49.704 11.726 10.036 1.00 0.00 H new ATOM 1057 N TYR A 476 55.063 7.979 6.826 1.00 0.00 N ATOM 1058 CA TYR A 476 56.193 7.625 5.918 1.00 0.00 C ATOM 1059 C TYR A 476 55.869 8.031 4.478 1.00 0.00 C ATOM 1060 O TYR A 476 54.761 7.862 4.008 1.00 0.00 O ATOM 1061 CB TYR A 476 56.333 6.106 6.026 1.00 0.00 C ATOM 1062 CG TYR A 476 57.724 5.700 5.602 1.00 0.00 C ATOM 1063 CD1 TYR A 476 58.143 5.911 4.282 1.00 0.00 C ATOM 1064 CD2 TYR A 476 58.597 5.118 6.528 1.00 0.00 C ATOM 1065 CE1 TYR A 476 59.434 5.541 3.889 1.00 0.00 C ATOM 1066 CE2 TYR A 476 59.889 4.746 6.134 1.00 0.00 C ATOM 1067 CZ TYR A 476 60.307 4.958 4.815 1.00 0.00 C ATOM 1068 OH TYR A 476 61.581 4.594 4.428 1.00 0.00 O ATOM 0 H TYR A 476 54.494 7.192 7.137 1.00 0.00 H new ATOM 0 HA TYR A 476 57.114 8.140 6.192 1.00 0.00 H new ATOM 0 HB2 TYR A 476 56.144 5.784 7.050 1.00 0.00 H new ATOM 0 HB3 TYR A 476 55.591 5.615 5.396 1.00 0.00 H new ATOM 0 HD1 TYR A 476 57.469 6.360 3.567 1.00 0.00 H new ATOM 0 HD2 TYR A 476 58.275 4.956 7.546 1.00 0.00 H new ATOM 0 HE1 TYR A 476 59.757 5.705 2.872 1.00 0.00 H new ATOM 0 HE2 TYR A 476 60.563 4.296 6.848 1.00 0.00 H new ATOM 0 HH TYR A 476 62.131 4.432 5.223 1.00 0.00 H new ATOM 1078 N TYR A 477 56.833 8.563 3.774 1.00 0.00 N ATOM 1079 CA TYR A 477 56.591 8.979 2.362 1.00 0.00 C ATOM 1080 C TYR A 477 57.768 8.554 1.479 1.00 0.00 C ATOM 1081 O TYR A 477 58.916 8.763 1.819 1.00 0.00 O ATOM 1082 CB TYR A 477 56.482 10.503 2.414 1.00 0.00 C ATOM 1083 CG TYR A 477 55.124 10.892 2.947 1.00 0.00 C ATOM 1084 CD1 TYR A 477 53.965 10.460 2.293 1.00 0.00 C ATOM 1085 CD2 TYR A 477 55.025 11.686 4.097 1.00 0.00 C ATOM 1086 CE1 TYR A 477 52.706 10.821 2.788 1.00 0.00 C ATOM 1087 CE2 TYR A 477 53.766 12.046 4.592 1.00 0.00 C ATOM 1088 CZ TYR A 477 52.607 11.614 3.938 1.00 0.00 C ATOM 1089 OH TYR A 477 51.366 11.970 4.425 1.00 0.00 O ATOM 0 H TYR A 477 57.779 8.728 4.117 1.00 0.00 H new ATOM 0 HA TYR A 477 55.696 8.520 1.941 1.00 0.00 H new ATOM 0 HB2 TYR A 477 57.266 10.913 3.051 1.00 0.00 H new ATOM 0 HB3 TYR A 477 56.628 10.923 1.419 1.00 0.00 H new ATOM 0 HD1 TYR A 477 54.041 9.848 1.406 1.00 0.00 H new ATOM 0 HD2 TYR A 477 55.920 12.020 4.601 1.00 0.00 H new ATOM 0 HE1 TYR A 477 51.811 10.488 2.283 1.00 0.00 H new ATOM 0 HE2 TYR A 477 53.689 12.657 5.479 1.00 0.00 H new ATOM 0 HH TYR A 477 51.431 12.831 4.888 1.00 0.00 H new ATOM 1099 N CYS A 478 57.491 7.958 0.349 1.00 0.00 N ATOM 1100 CA CYS A 478 58.595 7.518 -0.556 1.00 0.00 C ATOM 1101 C CYS A 478 59.437 8.728 -0.985 1.00 0.00 C ATOM 1102 O CYS A 478 59.357 9.789 -0.397 1.00 0.00 O ATOM 1103 CB CYS A 478 57.892 6.863 -1.758 1.00 0.00 C ATOM 1104 SG CYS A 478 57.378 8.127 -2.951 1.00 0.00 S ATOM 0 H CYS A 478 56.549 7.757 0.013 1.00 0.00 H new ATOM 0 HA CYS A 478 59.281 6.822 -0.074 1.00 0.00 H new ATOM 0 HB2 CYS A 478 58.564 6.152 -2.238 1.00 0.00 H new ATOM 0 HB3 CYS A 478 57.023 6.300 -1.417 1.00 0.00 H new ATOM 0 HG CYS A 478 56.135 7.934 -3.279 1.00 0.00 H new ATOM 1109 N ASN A 479 60.240 8.576 -2.003 1.00 0.00 N ATOM 1110 CA ASN A 479 61.086 9.716 -2.468 1.00 0.00 C ATOM 1111 C ASN A 479 60.359 10.522 -3.551 1.00 0.00 C ATOM 1112 O ASN A 479 60.498 11.727 -3.637 1.00 0.00 O ATOM 1113 CB ASN A 479 62.342 9.063 -3.044 1.00 0.00 C ATOM 1114 CG ASN A 479 63.385 10.140 -3.349 1.00 0.00 C ATOM 1115 OD1 ASN A 479 63.449 10.645 -4.452 1.00 0.00 O ATOM 1116 ND2 ASN A 479 64.211 10.515 -2.411 1.00 0.00 N ATOM 0 H ASN A 479 60.348 7.712 -2.534 1.00 0.00 H new ATOM 0 HA ASN A 479 61.315 10.411 -1.660 1.00 0.00 H new ATOM 0 HB2 ASN A 479 62.747 8.341 -2.335 1.00 0.00 H new ATOM 0 HB3 ASN A 479 62.095 8.514 -3.953 1.00 0.00 H new ATOM 0 HD21 ASN A 479 64.910 11.232 -2.604 1.00 0.00 H new ATOM 0 HD22 ASN A 479 64.157 10.091 -1.485 1.00 0.00 H new ATOM 1123 N GLU A 480 59.596 9.866 -4.385 1.00 0.00 N ATOM 1124 CA GLU A 480 58.871 10.592 -5.473 1.00 0.00 C ATOM 1125 C GLU A 480 57.606 11.280 -4.941 1.00 0.00 C ATOM 1126 O GLU A 480 56.871 11.895 -5.689 1.00 0.00 O ATOM 1127 CB GLU A 480 58.499 9.509 -6.487 1.00 0.00 C ATOM 1128 CG GLU A 480 58.338 10.138 -7.872 1.00 0.00 C ATOM 1129 CD GLU A 480 58.780 9.137 -8.941 1.00 0.00 C ATOM 1130 OE1 GLU A 480 59.969 9.072 -9.208 1.00 0.00 O ATOM 1131 OE2 GLU A 480 57.923 8.453 -9.475 1.00 0.00 O ATOM 0 H GLU A 480 59.442 8.858 -4.361 1.00 0.00 H new ATOM 0 HA GLU A 480 59.487 11.380 -5.907 1.00 0.00 H new ATOM 0 HB2 GLU A 480 59.271 8.740 -6.513 1.00 0.00 H new ATOM 0 HB3 GLU A 480 57.572 9.020 -6.188 1.00 0.00 H new ATOM 0 HG2 GLU A 480 57.299 10.425 -8.034 1.00 0.00 H new ATOM 0 HG3 GLU A 480 58.934 11.048 -7.942 1.00 0.00 H new ATOM 1138 N HIS A 481 57.341 11.188 -3.664 1.00 0.00 N ATOM 1139 CA HIS A 481 56.122 11.844 -3.108 1.00 0.00 C ATOM 1140 C HIS A 481 56.460 12.583 -1.810 1.00 0.00 C ATOM 1141 O HIS A 481 55.616 12.776 -0.957 1.00 0.00 O ATOM 1142 CB HIS A 481 55.143 10.701 -2.834 1.00 0.00 C ATOM 1143 CG HIS A 481 54.736 10.060 -4.134 1.00 0.00 C ATOM 1144 ND1 HIS A 481 54.708 8.671 -4.303 1.00 0.00 N ATOM 1145 CD2 HIS A 481 54.340 10.594 -5.340 1.00 0.00 C ATOM 1146 CE1 HIS A 481 54.312 8.419 -5.565 1.00 0.00 C ATOM 1147 NE2 HIS A 481 54.082 9.552 -6.211 1.00 0.00 N ATOM 0 H HIS A 481 57.914 10.688 -2.984 1.00 0.00 H new ATOM 0 HA HIS A 481 55.705 12.582 -3.793 1.00 0.00 H new ATOM 0 HB2 HIS A 481 55.606 9.961 -2.182 1.00 0.00 H new ATOM 0 HB3 HIS A 481 54.264 11.079 -2.313 1.00 0.00 H new ATOM 0 HD2 HIS A 481 54.247 11.646 -5.566 1.00 0.00 H new ATOM 0 HE1 HIS A 481 54.198 7.433 -5.990 1.00 0.00 H new ATOM 0 HE2 HIS A 481 53.770 9.640 -7.178 1.00 0.00 H new ATOM 1155 N VAL A 482 57.690 12.998 -1.655 1.00 0.00 N ATOM 1156 CA VAL A 482 58.082 13.725 -0.411 1.00 0.00 C ATOM 1157 C VAL A 482 58.000 15.236 -0.634 1.00 0.00 C ATOM 1158 O VAL A 482 57.757 16.000 0.279 1.00 0.00 O ATOM 1159 CB VAL A 482 59.523 13.288 -0.133 1.00 0.00 C ATOM 1160 CG1 VAL A 482 60.468 13.882 -1.183 1.00 0.00 C ATOM 1161 CG2 VAL A 482 59.942 13.772 1.257 1.00 0.00 C ATOM 0 H VAL A 482 58.439 12.865 -2.335 1.00 0.00 H new ATOM 0 HA VAL A 482 57.424 13.498 0.428 1.00 0.00 H new ATOM 0 HB VAL A 482 59.579 12.200 -0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 482 61.490 13.564 -0.974 1.00 0.00 H new ATOM 0 HG12 VAL A 482 60.175 13.535 -2.174 1.00 0.00 H new ATOM 0 HG13 VAL A 482 60.412 14.970 -1.148 1.00 0.00 H new ATOM 0 HG21 VAL A 482 60.968 13.462 1.456 1.00 0.00 H new ATOM 0 HG22 VAL A 482 59.877 14.859 1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 482 59.280 13.340 2.008 1.00 0.00 H new ATOM 1171 N GLN A 483 58.202 15.661 -1.844 1.00 0.00 N ATOM 1172 CA GLN A 483 58.141 17.119 -2.153 1.00 0.00 C ATOM 1173 C GLN A 483 57.664 17.334 -3.592 1.00 0.00 C ATOM 1174 O GLN A 483 58.338 17.950 -4.395 1.00 0.00 O ATOM 1175 CB GLN A 483 59.576 17.620 -1.979 1.00 0.00 C ATOM 1176 CG GLN A 483 59.720 18.302 -0.617 1.00 0.00 C ATOM 1177 CD GLN A 483 59.087 19.694 -0.674 1.00 0.00 C ATOM 1178 OE1 GLN A 483 58.191 19.935 -1.458 1.00 0.00 O ATOM 1179 NE2 GLN A 483 59.517 20.626 0.132 1.00 0.00 N ATOM 0 H GLN A 483 58.409 15.060 -2.642 1.00 0.00 H new ATOM 0 HA GLN A 483 57.444 17.651 -1.506 1.00 0.00 H new ATOM 0 HB2 GLN A 483 60.275 16.787 -2.055 1.00 0.00 H new ATOM 0 HB3 GLN A 483 59.827 18.320 -2.776 1.00 0.00 H new ATOM 0 HG2 GLN A 483 59.237 17.703 0.155 1.00 0.00 H new ATOM 0 HG3 GLN A 483 60.773 18.380 -0.347 1.00 0.00 H new ATOM 0 HE21 GLN A 483 60.269 20.424 0.790 1.00 0.00 H new ATOM 0 HE22 GLN A 483 59.101 21.557 0.104 1.00 0.00 H new