USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=23 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 126:sc= -0.605 USER MOD Set 1.2: A 452 HIS : no HE2:sc= -5.03! K(o=-6.6!,f=-4.4) USER MOD Set 1.3: A 478 CYS SG : rot -132:sc= -0.64 USER MOD Set 1.4: A 481 HIS : no HD1:sc= -0.31 K(o=-6.6,f=-13!) USER MOD Set 2.1: A 434 TYR OH : rot -130:sc= -0.867 USER MOD Set 2.2: A 457 GLN : amide:sc= 0.541 K(o=-0.33,f=-3.2!) USER MOD Set 3.1: A 419 CYS SG : rot 31:sc= -1.86 USER MOD Set 3.2: A 420 CYS SG : rot 180:sc= -1.6 USER MOD Set 3.3: A 423 CYS SG : rot 116:sc= -0.655 USER MOD Set 3.4: A 455 HIS : no HD1:sc= -12.7! C(o=-21!,f=-25!) USER MOD Set 3.5: A 458 CYS SG : rot -144:sc= -3.01 USER MOD Set 3.6: A 459 MET CE :methyl -117:sc= -1.34 (180deg=-1.93) USER MOD Single : A 415 TYR OH : rot 180:sc= 0 USER MOD Single : A 418 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 ASN : amide:sc= -0.589 K(o=-0.59,f=-1.4!) USER MOD Single : A 429 THR OG1 : rot -38:sc= 0.931 USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot 50:sc= 1.21 USER MOD Single : A 439 ASN : amide:sc= -0.956 K(o=-0.96,f=-3.6!) USER MOD Single : A 440 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 MET CE :methyl -154:sc= -4.11! (180deg=-6.62!) USER MOD Single : A 445 TYR OH : rot 180:sc= 0 USER MOD Single : A 447 SER OG : rot 180:sc= 0 USER MOD Single : A 448 HIS : no HD1:sc= -0.584 X(o=-0.58,f=-0.31) USER MOD Single : A 465 THR OG1 : rot 180:sc= 0.0389 USER MOD Single : A 468 HIS : no HD1:sc= -2.47! K(o=-2.5!,f=-0.95) USER MOD Single : A 470 SER OG : rot -39:sc= 0.309 USER MOD Single : A 473 SER OG : rot 180:sc= 0 USER MOD Single : A 474 ASN : amide:sc= -0.0185 X(o=-0.019,f=0) USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 476 TYR OH : rot 165:sc= 0 USER MOD Single : A 477 TYR OH : rot 180:sc= 0 USER MOD Single : A 479 ASN : amide:sc= -0.277 K(o=-0.28,f=-3.6!) USER MOD Single : A 483 GLN : amide:sc= -0.365 X(o=-0.37,f=0) USER MOD ----------------------------------------------------------------- ATOM 117 N TYR A 415 60.708 -9.140 -3.345 1.00 0.00 N ATOM 118 CA TYR A 415 61.631 -8.070 -2.863 1.00 0.00 C ATOM 119 C TYR A 415 62.590 -7.653 -3.981 1.00 0.00 C ATOM 120 O TYR A 415 62.973 -6.504 -4.086 1.00 0.00 O ATOM 121 CB TYR A 415 62.400 -8.704 -1.702 1.00 0.00 C ATOM 122 CG TYR A 415 61.976 -8.065 -0.400 1.00 0.00 C ATOM 123 CD1 TYR A 415 61.952 -6.671 -0.282 1.00 0.00 C ATOM 124 CD2 TYR A 415 61.608 -8.866 0.688 1.00 0.00 C ATOM 125 CE1 TYR A 415 61.561 -6.077 0.922 1.00 0.00 C ATOM 126 CE2 TYR A 415 61.216 -8.272 1.893 1.00 0.00 C ATOM 127 CZ TYR A 415 61.193 -6.877 2.010 1.00 0.00 C ATOM 128 OH TYR A 415 60.808 -6.291 3.199 1.00 0.00 O ATOM 0 HA TYR A 415 61.096 -7.171 -2.555 1.00 0.00 H new ATOM 0 HB2 TYR A 415 62.210 -9.777 -1.670 1.00 0.00 H new ATOM 0 HB3 TYR A 415 63.472 -8.574 -1.850 1.00 0.00 H new ATOM 0 HD1 TYR A 415 62.236 -6.053 -1.121 1.00 0.00 H new ATOM 0 HD2 TYR A 415 61.627 -9.942 0.597 1.00 0.00 H new ATOM 0 HE1 TYR A 415 61.543 -5.001 1.012 1.00 0.00 H new ATOM 0 HE2 TYR A 415 60.931 -8.889 2.732 1.00 0.00 H new ATOM 0 HH TYR A 415 60.584 -6.988 3.850 1.00 0.00 H new ATOM 138 N TRP A 416 62.977 -8.577 -4.816 1.00 0.00 N ATOM 139 CA TRP A 416 63.909 -8.242 -5.931 1.00 0.00 C ATOM 140 C TRP A 416 63.128 -7.592 -7.077 1.00 0.00 C ATOM 141 O TRP A 416 63.099 -8.091 -8.186 1.00 0.00 O ATOM 142 CB TRP A 416 64.491 -9.587 -6.369 1.00 0.00 C ATOM 143 CG TRP A 416 65.258 -10.180 -5.232 1.00 0.00 C ATOM 144 CD1 TRP A 416 64.994 -11.371 -4.647 1.00 0.00 C ATOM 145 CD2 TRP A 416 66.402 -9.622 -4.530 1.00 0.00 C ATOM 146 NE1 TRP A 416 65.909 -11.579 -3.629 1.00 0.00 N ATOM 147 CE2 TRP A 416 66.799 -10.529 -3.519 1.00 0.00 C ATOM 148 CE3 TRP A 416 67.128 -8.429 -4.675 1.00 0.00 C ATOM 149 CZ2 TRP A 416 67.880 -10.257 -2.679 1.00 0.00 C ATOM 150 CZ3 TRP A 416 68.215 -8.153 -3.834 1.00 0.00 C ATOM 151 CH2 TRP A 416 68.592 -9.064 -2.838 1.00 0.00 C ATOM 0 H TRP A 416 62.687 -9.554 -4.775 1.00 0.00 H new ATOM 0 HA TRP A 416 64.688 -7.540 -5.635 1.00 0.00 H new ATOM 0 HB2 TRP A 416 63.691 -10.261 -6.676 1.00 0.00 H new ATOM 0 HB3 TRP A 416 65.142 -9.452 -7.232 1.00 0.00 H new ATOM 0 HD1 TRP A 416 64.201 -12.048 -4.928 1.00 0.00 H new ATOM 0 HE1 TRP A 416 65.924 -12.407 -3.033 1.00 0.00 H new ATOM 0 HE3 TRP A 416 66.847 -7.719 -5.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 68.164 -10.962 -1.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 68.766 -7.232 -3.954 1.00 0.00 H new ATOM 0 HH2 TRP A 416 69.431 -8.845 -2.194 1.00 0.00 H new ATOM 162 N ILE A 417 62.479 -6.490 -6.809 1.00 0.00 N ATOM 163 CA ILE A 417 61.681 -5.812 -7.875 1.00 0.00 C ATOM 164 C ILE A 417 62.105 -4.348 -8.025 1.00 0.00 C ATOM 165 O ILE A 417 63.193 -3.962 -7.646 1.00 0.00 O ATOM 166 CB ILE A 417 60.231 -5.906 -7.389 1.00 0.00 C ATOM 167 CG1 ILE A 417 60.076 -5.169 -6.053 1.00 0.00 C ATOM 168 CG2 ILE A 417 59.859 -7.375 -7.196 1.00 0.00 C ATOM 169 CD1 ILE A 417 58.720 -4.458 -6.012 1.00 0.00 C ATOM 0 H ILE A 417 62.466 -6.029 -5.899 1.00 0.00 H new ATOM 0 HA ILE A 417 61.823 -6.274 -8.852 1.00 0.00 H new ATOM 0 HB ILE A 417 59.575 -5.449 -8.130 1.00 0.00 H new ATOM 0 HG12 ILE A 417 60.153 -5.875 -5.226 1.00 0.00 H new ATOM 0 HG13 ILE A 417 60.881 -4.445 -5.930 1.00 0.00 H new ATOM 0 HG21 ILE A 417 58.828 -7.447 -6.850 1.00 0.00 H new ATOM 0 HG22 ILE A 417 59.962 -7.904 -8.144 1.00 0.00 H new ATOM 0 HG23 ILE A 417 60.522 -7.824 -6.456 1.00 0.00 H new ATOM 0 HD11 ILE A 417 58.612 -3.935 -5.062 1.00 0.00 H new ATOM 0 HD12 ILE A 417 58.661 -3.740 -6.830 1.00 0.00 H new ATOM 0 HD13 ILE A 417 57.921 -5.192 -6.115 1.00 0.00 H new ATOM 181 N THR A 418 61.247 -3.535 -8.579 1.00 0.00 N ATOM 182 CA THR A 418 61.580 -2.094 -8.759 1.00 0.00 C ATOM 183 C THR A 418 60.916 -1.261 -7.660 1.00 0.00 C ATOM 184 O THR A 418 60.076 -1.743 -6.926 1.00 0.00 O ATOM 185 CB THR A 418 61.013 -1.725 -10.131 1.00 0.00 C ATOM 186 OG1 THR A 418 59.832 -2.478 -10.377 1.00 0.00 O ATOM 187 CG2 THR A 418 62.049 -2.028 -11.214 1.00 0.00 C ATOM 0 H THR A 418 60.324 -3.809 -8.916 1.00 0.00 H new ATOM 0 HA THR A 418 62.652 -1.905 -8.698 1.00 0.00 H new ATOM 0 HB THR A 418 60.774 -0.662 -10.148 1.00 0.00 H new ATOM 0 HG1 THR A 418 59.469 -2.239 -11.255 1.00 0.00 H new ATOM 0 HG21 THR A 418 61.642 -1.764 -12.190 1.00 0.00 H new ATOM 0 HG22 THR A 418 62.951 -1.446 -11.027 1.00 0.00 H new ATOM 0 HG23 THR A 418 62.293 -3.090 -11.197 1.00 0.00 H new ATOM 195 N CYS A 419 61.291 -0.017 -7.540 1.00 0.00 N ATOM 196 CA CYS A 419 60.689 0.850 -6.484 1.00 0.00 C ATOM 197 C CYS A 419 60.748 2.330 -6.904 1.00 0.00 C ATOM 198 O CYS A 419 60.523 3.220 -6.106 1.00 0.00 O ATOM 199 CB CYS A 419 61.541 0.560 -5.235 1.00 0.00 C ATOM 200 SG CYS A 419 62.769 1.862 -4.952 1.00 0.00 S ATOM 0 H CYS A 419 61.989 0.438 -8.128 1.00 0.00 H new ATOM 0 HA CYS A 419 59.633 0.646 -6.305 1.00 0.00 H new ATOM 0 HB2 CYS A 419 60.893 0.474 -4.363 1.00 0.00 H new ATOM 0 HB3 CYS A 419 62.046 -0.399 -5.352 1.00 0.00 H new ATOM 0 HG CYS A 419 62.305 2.997 -5.384 1.00 0.00 H new ATOM 205 N CYS A 420 61.046 2.596 -8.152 1.00 0.00 N ATOM 206 CA CYS A 420 61.123 4.011 -8.629 1.00 0.00 C ATOM 207 C CYS A 420 61.406 4.027 -10.138 1.00 0.00 C ATOM 208 O CYS A 420 61.437 2.988 -10.766 1.00 0.00 O ATOM 209 CB CYS A 420 62.290 4.628 -7.849 1.00 0.00 C ATOM 210 SG CYS A 420 61.692 6.015 -6.848 1.00 0.00 S ATOM 0 H CYS A 420 61.240 1.891 -8.863 1.00 0.00 H new ATOM 0 HA CYS A 420 60.197 4.564 -8.468 1.00 0.00 H new ATOM 0 HB2 CYS A 420 62.749 3.876 -7.208 1.00 0.00 H new ATOM 0 HB3 CYS A 420 63.060 4.971 -8.540 1.00 0.00 H new ATOM 0 HG CYS A 420 62.685 6.533 -6.187 1.00 0.00 H new ATOM 216 N PRO A 421 61.605 5.205 -10.679 1.00 0.00 N ATOM 217 CA PRO A 421 61.886 5.327 -12.127 1.00 0.00 C ATOM 218 C PRO A 421 63.358 5.001 -12.420 1.00 0.00 C ATOM 219 O PRO A 421 63.786 4.999 -13.557 1.00 0.00 O ATOM 220 CB PRO A 421 61.575 6.787 -12.431 1.00 0.00 C ATOM 221 CG PRO A 421 61.742 7.515 -11.131 1.00 0.00 C ATOM 222 CD PRO A 421 61.589 6.513 -10.011 1.00 0.00 C ATOM 0 HA PRO A 421 61.301 4.639 -12.737 1.00 0.00 H new ATOM 0 HB2 PRO A 421 62.250 7.181 -13.190 1.00 0.00 H new ATOM 0 HB3 PRO A 421 60.561 6.900 -12.816 1.00 0.00 H new ATOM 0 HG2 PRO A 421 62.721 7.992 -11.084 1.00 0.00 H new ATOM 0 HG3 PRO A 421 60.998 8.306 -11.039 1.00 0.00 H new ATOM 0 HD2 PRO A 421 62.401 6.599 -9.289 1.00 0.00 H new ATOM 0 HD3 PRO A 421 60.658 6.668 -9.465 1.00 0.00 H new ATOM 230 N THR A 422 64.129 4.719 -11.403 1.00 0.00 N ATOM 231 CA THR A 422 65.568 4.386 -11.617 1.00 0.00 C ATOM 232 C THR A 422 66.039 3.417 -10.530 1.00 0.00 C ATOM 233 O THR A 422 67.085 3.591 -9.937 1.00 0.00 O ATOM 234 CB THR A 422 66.306 5.722 -11.506 1.00 0.00 C ATOM 235 OG1 THR A 422 65.820 6.438 -10.380 1.00 0.00 O ATOM 236 CG2 THR A 422 66.069 6.543 -12.776 1.00 0.00 C ATOM 0 H THR A 422 63.823 4.705 -10.430 1.00 0.00 H new ATOM 0 HA THR A 422 65.749 3.905 -12.578 1.00 0.00 H new ATOM 0 HB THR A 422 67.374 5.539 -11.387 1.00 0.00 H new ATOM 0 HG1 THR A 422 66.293 7.293 -10.307 1.00 0.00 H new ATOM 0 HG21 THR A 422 66.594 7.495 -12.697 1.00 0.00 H new ATOM 0 HG22 THR A 422 66.442 5.993 -13.640 1.00 0.00 H new ATOM 0 HG23 THR A 422 65.001 6.727 -12.896 1.00 0.00 H new ATOM 244 N CYS A 423 65.261 2.402 -10.260 1.00 0.00 N ATOM 245 CA CYS A 423 65.643 1.417 -9.205 1.00 0.00 C ATOM 246 C CYS A 423 66.563 0.337 -9.783 1.00 0.00 C ATOM 247 O CYS A 423 66.617 0.126 -10.979 1.00 0.00 O ATOM 248 CB CYS A 423 64.318 0.807 -8.748 1.00 0.00 C ATOM 249 SG CYS A 423 64.619 -0.389 -7.423 1.00 0.00 S ATOM 0 H CYS A 423 64.374 2.212 -10.726 1.00 0.00 H new ATOM 0 HA CYS A 423 66.189 1.882 -8.384 1.00 0.00 H new ATOM 0 HB2 CYS A 423 63.648 1.592 -8.397 1.00 0.00 H new ATOM 0 HB3 CYS A 423 63.824 0.317 -9.587 1.00 0.00 H new ATOM 0 HG CYS A 423 64.063 0.030 -6.325 1.00 0.00 H new ATOM 254 N ASP A 424 67.280 -0.351 -8.935 1.00 0.00 N ATOM 255 CA ASP A 424 68.196 -1.425 -9.419 1.00 0.00 C ATOM 256 C ASP A 424 68.423 -2.459 -8.314 1.00 0.00 C ATOM 257 O ASP A 424 69.483 -3.047 -8.208 1.00 0.00 O ATOM 258 CB ASP A 424 69.503 -0.707 -9.760 1.00 0.00 C ATOM 259 CG ASP A 424 69.546 -0.408 -11.260 1.00 0.00 C ATOM 260 OD1 ASP A 424 68.966 0.587 -11.663 1.00 0.00 O ATOM 261 OD2 ASP A 424 70.159 -1.179 -11.980 1.00 0.00 O ATOM 0 H ASP A 424 67.271 -0.215 -7.924 1.00 0.00 H new ATOM 0 HA ASP A 424 67.791 -1.960 -10.278 1.00 0.00 H new ATOM 0 HB2 ASP A 424 69.580 0.220 -9.192 1.00 0.00 H new ATOM 0 HB3 ASP A 424 70.355 -1.326 -9.477 1.00 0.00 H new ATOM 266 N VAL A 425 67.434 -2.686 -7.488 1.00 0.00 N ATOM 267 CA VAL A 425 67.591 -3.682 -6.386 1.00 0.00 C ATOM 268 C VAL A 425 67.689 -5.095 -6.963 1.00 0.00 C ATOM 269 O VAL A 425 66.819 -5.551 -7.679 1.00 0.00 O ATOM 270 CB VAL A 425 66.333 -3.523 -5.524 1.00 0.00 C ATOM 271 CG1 VAL A 425 66.244 -4.660 -4.500 1.00 0.00 C ATOM 272 CG2 VAL A 425 66.404 -2.187 -4.785 1.00 0.00 C ATOM 0 H VAL A 425 66.525 -2.225 -7.529 1.00 0.00 H new ATOM 0 HA VAL A 425 68.498 -3.520 -5.804 1.00 0.00 H new ATOM 0 HB VAL A 425 65.452 -3.554 -6.166 1.00 0.00 H new ATOM 0 HG11 VAL A 425 65.346 -4.535 -3.895 1.00 0.00 H new ATOM 0 HG12 VAL A 425 66.200 -5.616 -5.021 1.00 0.00 H new ATOM 0 HG13 VAL A 425 67.122 -4.638 -3.855 1.00 0.00 H new ATOM 0 HG21 VAL A 425 65.513 -2.064 -4.169 1.00 0.00 H new ATOM 0 HG22 VAL A 425 67.290 -2.169 -4.150 1.00 0.00 H new ATOM 0 HG23 VAL A 425 66.460 -1.374 -5.508 1.00 0.00 H new ATOM 282 N ASP A 426 68.749 -5.786 -6.651 1.00 0.00 N ATOM 283 CA ASP A 426 68.928 -7.173 -7.170 1.00 0.00 C ATOM 284 C ASP A 426 70.110 -7.838 -6.461 1.00 0.00 C ATOM 285 O ASP A 426 71.195 -7.293 -6.407 1.00 0.00 O ATOM 286 CB ASP A 426 69.217 -7.008 -8.664 1.00 0.00 C ATOM 287 CG ASP A 426 68.408 -8.035 -9.457 1.00 0.00 C ATOM 288 OD1 ASP A 426 67.202 -7.871 -9.545 1.00 0.00 O ATOM 289 OD2 ASP A 426 69.007 -8.969 -9.966 1.00 0.00 O ATOM 0 H ASP A 426 69.505 -5.448 -6.055 1.00 0.00 H new ATOM 0 HA ASP A 426 68.053 -7.800 -6.999 1.00 0.00 H new ATOM 0 HB2 ASP A 426 68.959 -5.999 -8.986 1.00 0.00 H new ATOM 0 HB3 ASP A 426 70.282 -7.141 -8.856 1.00 0.00 H new ATOM 294 N ILE A 427 69.909 -9.007 -5.914 1.00 0.00 N ATOM 295 CA ILE A 427 71.023 -9.700 -5.202 1.00 0.00 C ATOM 296 C ILE A 427 72.253 -9.806 -6.110 1.00 0.00 C ATOM 297 O ILE A 427 73.374 -9.869 -5.645 1.00 0.00 O ATOM 298 CB ILE A 427 70.478 -11.085 -4.854 1.00 0.00 C ATOM 299 CG1 ILE A 427 71.540 -11.869 -4.080 1.00 0.00 C ATOM 300 CG2 ILE A 427 70.117 -11.836 -6.139 1.00 0.00 C ATOM 301 CD1 ILE A 427 71.159 -11.923 -2.599 1.00 0.00 C ATOM 0 H ILE A 427 69.023 -9.512 -5.929 1.00 0.00 H new ATOM 0 HA ILE A 427 71.341 -9.159 -4.311 1.00 0.00 H new ATOM 0 HB ILE A 427 69.584 -10.979 -4.239 1.00 0.00 H new ATOM 0 HG12 ILE A 427 71.626 -12.879 -4.481 1.00 0.00 H new ATOM 0 HG13 ILE A 427 72.515 -11.395 -4.198 1.00 0.00 H new ATOM 0 HG21 ILE A 427 69.729 -12.823 -5.887 1.00 0.00 H new ATOM 0 HG22 ILE A 427 69.358 -11.277 -6.686 1.00 0.00 H new ATOM 0 HG23 ILE A 427 71.007 -11.944 -6.760 1.00 0.00 H new ATOM 0 HD11 ILE A 427 71.916 -12.482 -2.049 1.00 0.00 H new ATOM 0 HD12 ILE A 427 71.096 -10.910 -2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 427 70.193 -12.416 -2.490 1.00 0.00 H new ATOM 313 N ASN A 428 72.052 -9.814 -7.403 1.00 0.00 N ATOM 314 CA ASN A 428 73.212 -9.901 -8.340 1.00 0.00 C ATOM 315 C ASN A 428 74.216 -8.789 -8.019 1.00 0.00 C ATOM 316 O ASN A 428 75.402 -8.921 -8.245 1.00 0.00 O ATOM 317 CB ASN A 428 72.615 -9.701 -9.734 1.00 0.00 C ATOM 318 CG ASN A 428 73.660 -10.049 -10.795 1.00 0.00 C ATOM 319 OD1 ASN A 428 74.846 -10.019 -10.531 1.00 0.00 O ATOM 320 ND2 ASN A 428 73.267 -10.383 -11.994 1.00 0.00 N ATOM 0 H ASN A 428 71.136 -9.764 -7.850 1.00 0.00 H new ATOM 0 HA ASN A 428 73.743 -10.850 -8.263 1.00 0.00 H new ATOM 0 HB2 ASN A 428 71.734 -10.331 -9.857 1.00 0.00 H new ATOM 0 HB3 ASN A 428 72.288 -8.668 -9.856 1.00 0.00 H new ATOM 0 HD21 ASN A 428 73.955 -10.619 -12.709 1.00 0.00 H new ATOM 0 HD22 ASN A 428 72.272 -10.408 -12.216 1.00 0.00 H new ATOM 327 N THR A 429 73.738 -7.698 -7.482 1.00 0.00 N ATOM 328 CA THR A 429 74.646 -6.571 -7.127 1.00 0.00 C ATOM 329 C THR A 429 74.187 -5.920 -5.816 1.00 0.00 C ATOM 330 O THR A 429 74.586 -4.819 -5.488 1.00 0.00 O ATOM 331 CB THR A 429 74.533 -5.582 -8.292 1.00 0.00 C ATOM 332 OG1 THR A 429 75.352 -4.451 -8.031 1.00 0.00 O ATOM 333 CG2 THR A 429 73.078 -5.135 -8.452 1.00 0.00 C ATOM 0 H THR A 429 72.752 -7.539 -7.273 1.00 0.00 H new ATOM 0 HA THR A 429 75.674 -6.899 -6.976 1.00 0.00 H new ATOM 0 HB THR A 429 74.862 -6.067 -9.211 1.00 0.00 H new ATOM 0 HG1 THR A 429 75.303 -4.224 -7.079 1.00 0.00 H new ATOM 0 HG21 THR A 429 73.003 -4.432 -9.281 1.00 0.00 H new ATOM 0 HG22 THR A 429 72.451 -6.003 -8.654 1.00 0.00 H new ATOM 0 HG23 THR A 429 72.743 -4.651 -7.535 1.00 0.00 H new ATOM 341 N TRP A 430 73.353 -6.594 -5.065 1.00 0.00 N ATOM 342 CA TRP A 430 72.870 -6.016 -3.777 1.00 0.00 C ATOM 343 C TRP A 430 73.502 -6.748 -2.592 1.00 0.00 C ATOM 344 O TRP A 430 74.093 -7.799 -2.741 1.00 0.00 O ATOM 345 CB TRP A 430 71.362 -6.249 -3.763 1.00 0.00 C ATOM 346 CG TRP A 430 70.760 -5.504 -2.627 1.00 0.00 C ATOM 347 CD1 TRP A 430 70.360 -4.211 -2.621 1.00 0.00 C ATOM 348 CD2 TRP A 430 70.499 -6.020 -1.320 1.00 0.00 C ATOM 349 NE1 TRP A 430 69.863 -3.914 -1.359 1.00 0.00 N ATOM 350 CE2 TRP A 430 69.930 -5.012 -0.520 1.00 0.00 C ATOM 351 CE3 TRP A 430 70.710 -7.275 -0.779 1.00 0.00 C ATOM 352 CZ2 TRP A 430 69.578 -5.258 0.809 1.00 0.00 C ATOM 353 CZ3 TRP A 430 70.363 -7.543 0.555 1.00 0.00 C ATOM 354 CH2 TRP A 430 69.797 -6.532 1.350 1.00 0.00 C ATOM 0 H TRP A 430 72.987 -7.519 -5.289 1.00 0.00 H new ATOM 0 HA TRP A 430 73.130 -4.961 -3.695 1.00 0.00 H new ATOM 0 HB2 TRP A 430 70.923 -5.917 -4.704 1.00 0.00 H new ATOM 0 HB3 TRP A 430 71.148 -7.314 -3.669 1.00 0.00 H new ATOM 0 HD1 TRP A 430 70.418 -3.527 -3.455 1.00 0.00 H new ATOM 0 HE1 TRP A 430 69.495 -3.003 -1.085 1.00 0.00 H new ATOM 0 HE3 TRP A 430 71.145 -8.055 -1.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 430 69.142 -4.476 1.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 430 70.531 -8.526 0.970 1.00 0.00 H new ATOM 0 HH2 TRP A 430 69.531 -6.737 2.377 1.00 0.00 H new ATOM 365 N VAL A 431 73.365 -6.201 -1.416 1.00 0.00 N ATOM 366 CA VAL A 431 73.936 -6.858 -0.206 1.00 0.00 C ATOM 367 C VAL A 431 73.122 -6.461 1.033 1.00 0.00 C ATOM 368 O VAL A 431 72.373 -5.506 0.995 1.00 0.00 O ATOM 369 CB VAL A 431 75.368 -6.333 -0.094 1.00 0.00 C ATOM 370 CG1 VAL A 431 76.175 -6.760 -1.322 1.00 0.00 C ATOM 371 CG2 VAL A 431 75.357 -4.804 0.003 1.00 0.00 C ATOM 0 H VAL A 431 72.879 -5.322 -1.240 1.00 0.00 H new ATOM 0 HA VAL A 431 73.912 -7.945 -0.278 1.00 0.00 H new ATOM 0 HB VAL A 431 75.828 -6.748 0.803 1.00 0.00 H new ATOM 0 HG11 VAL A 431 77.194 -6.383 -1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 431 76.194 -7.848 -1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 431 75.712 -6.353 -2.221 1.00 0.00 H new ATOM 0 HG21 VAL A 431 76.380 -4.437 0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 431 74.890 -4.386 -0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 431 74.793 -4.499 0.884 1.00 0.00 H new ATOM 381 N PRO A 432 73.298 -7.204 2.097 1.00 0.00 N ATOM 382 CA PRO A 432 72.563 -6.907 3.352 1.00 0.00 C ATOM 383 C PRO A 432 73.100 -5.623 3.990 1.00 0.00 C ATOM 384 O PRO A 432 74.143 -5.616 4.613 1.00 0.00 O ATOM 385 CB PRO A 432 72.855 -8.120 4.233 1.00 0.00 C ATOM 386 CG PRO A 432 74.141 -8.673 3.713 1.00 0.00 C ATOM 387 CD PRO A 432 74.179 -8.372 2.238 1.00 0.00 C ATOM 0 HA PRO A 432 71.496 -6.747 3.200 1.00 0.00 H new ATOM 0 HB2 PRO A 432 72.943 -7.835 5.281 1.00 0.00 H new ATOM 0 HB3 PRO A 432 72.054 -8.856 4.169 1.00 0.00 H new ATOM 0 HG2 PRO A 432 74.991 -8.219 4.222 1.00 0.00 H new ATOM 0 HG3 PRO A 432 74.200 -9.747 3.890 1.00 0.00 H new ATOM 0 HD2 PRO A 432 75.192 -8.152 1.900 1.00 0.00 H new ATOM 0 HD3 PRO A 432 73.822 -9.216 1.648 1.00 0.00 H new ATOM 395 N PHE A 433 72.394 -4.536 3.833 1.00 0.00 N ATOM 396 CA PHE A 433 72.860 -3.247 4.424 1.00 0.00 C ATOM 397 C PHE A 433 72.231 -3.037 5.805 1.00 0.00 C ATOM 398 O PHE A 433 72.775 -2.349 6.646 1.00 0.00 O ATOM 399 CB PHE A 433 72.380 -2.168 3.447 1.00 0.00 C ATOM 400 CG PHE A 433 73.536 -1.274 3.071 1.00 0.00 C ATOM 401 CD1 PHE A 433 74.638 -1.805 2.390 1.00 0.00 C ATOM 402 CD2 PHE A 433 73.508 0.086 3.405 1.00 0.00 C ATOM 403 CE1 PHE A 433 75.711 -0.976 2.041 1.00 0.00 C ATOM 404 CE2 PHE A 433 74.581 0.914 3.055 1.00 0.00 C ATOM 405 CZ PHE A 433 75.682 0.383 2.374 1.00 0.00 C ATOM 0 H PHE A 433 71.514 -4.484 3.321 1.00 0.00 H new ATOM 0 HA PHE A 433 73.941 -3.224 4.562 1.00 0.00 H new ATOM 0 HB2 PHE A 433 71.961 -2.632 2.554 1.00 0.00 H new ATOM 0 HB3 PHE A 433 71.585 -1.578 3.903 1.00 0.00 H new ATOM 0 HD1 PHE A 433 74.660 -2.854 2.134 1.00 0.00 H new ATOM 0 HD2 PHE A 433 72.659 0.496 3.932 1.00 0.00 H new ATOM 0 HE1 PHE A 433 76.561 -1.385 1.515 1.00 0.00 H new ATOM 0 HE2 PHE A 433 74.559 1.963 3.311 1.00 0.00 H new ATOM 0 HZ PHE A 433 76.510 1.022 2.105 1.00 0.00 H new ATOM 415 N TYR A 434 71.087 -3.621 6.041 1.00 0.00 N ATOM 416 CA TYR A 434 70.419 -3.453 7.366 1.00 0.00 C ATOM 417 C TYR A 434 70.895 -4.537 8.337 1.00 0.00 C ATOM 418 O TYR A 434 71.302 -5.609 7.933 1.00 0.00 O ATOM 419 CB TYR A 434 68.920 -3.600 7.086 1.00 0.00 C ATOM 420 CG TYR A 434 68.541 -2.768 5.882 1.00 0.00 C ATOM 421 CD1 TYR A 434 68.604 -1.370 5.947 1.00 0.00 C ATOM 422 CD2 TYR A 434 68.131 -3.394 4.699 1.00 0.00 C ATOM 423 CE1 TYR A 434 68.257 -0.601 4.829 1.00 0.00 C ATOM 424 CE2 TYR A 434 67.784 -2.625 3.583 1.00 0.00 C ATOM 425 CZ TYR A 434 67.847 -1.229 3.648 1.00 0.00 C ATOM 426 OH TYR A 434 67.504 -0.471 2.546 1.00 0.00 O ATOM 0 H TYR A 434 70.585 -4.207 5.374 1.00 0.00 H new ATOM 0 HA TYR A 434 70.650 -2.491 7.824 1.00 0.00 H new ATOM 0 HB2 TYR A 434 68.675 -4.647 6.908 1.00 0.00 H new ATOM 0 HB3 TYR A 434 68.345 -3.281 7.956 1.00 0.00 H new ATOM 0 HD1 TYR A 434 68.920 -0.885 6.859 1.00 0.00 H new ATOM 0 HD2 TYR A 434 68.082 -4.472 4.648 1.00 0.00 H new ATOM 0 HE1 TYR A 434 68.306 0.477 4.879 1.00 0.00 H new ATOM 0 HE2 TYR A 434 67.467 -3.109 2.671 1.00 0.00 H new ATOM 0 HH TYR A 434 66.636 -0.768 2.202 1.00 0.00 H new ATOM 436 N SER A 435 70.850 -4.264 9.614 1.00 0.00 N ATOM 437 CA SER A 435 71.305 -5.277 10.613 1.00 0.00 C ATOM 438 C SER A 435 70.125 -6.125 11.104 1.00 0.00 C ATOM 439 O SER A 435 70.291 -7.018 11.913 1.00 0.00 O ATOM 440 CB SER A 435 71.888 -4.459 11.764 1.00 0.00 C ATOM 441 OG SER A 435 72.986 -5.161 12.329 1.00 0.00 O ATOM 0 H SER A 435 70.518 -3.384 10.009 1.00 0.00 H new ATOM 0 HA SER A 435 72.031 -5.970 10.188 1.00 0.00 H new ATOM 0 HB2 SER A 435 72.212 -3.483 11.404 1.00 0.00 H new ATOM 0 HB3 SER A 435 71.125 -4.282 12.522 1.00 0.00 H new ATOM 0 HG SER A 435 73.364 -4.638 13.067 1.00 0.00 H new ATOM 447 N THR A 436 68.936 -5.857 10.629 1.00 0.00 N ATOM 448 CA THR A 436 67.756 -6.654 11.078 1.00 0.00 C ATOM 449 C THR A 436 67.241 -7.534 9.935 1.00 0.00 C ATOM 450 O THR A 436 66.652 -8.574 10.159 1.00 0.00 O ATOM 451 CB THR A 436 66.701 -5.619 11.477 1.00 0.00 C ATOM 452 OG1 THR A 436 66.761 -4.510 10.589 1.00 0.00 O ATOM 453 CG2 THR A 436 66.961 -5.148 12.910 1.00 0.00 C ATOM 0 H THR A 436 68.732 -5.123 9.951 1.00 0.00 H new ATOM 0 HA THR A 436 68.003 -7.321 11.904 1.00 0.00 H new ATOM 0 HB THR A 436 65.711 -6.071 11.421 1.00 0.00 H new ATOM 0 HG1 THR A 436 66.750 -4.831 9.663 1.00 0.00 H new ATOM 0 HG21 THR A 436 66.209 -4.411 13.193 1.00 0.00 H new ATOM 0 HG22 THR A 436 66.908 -6.000 13.588 1.00 0.00 H new ATOM 0 HG23 THR A 436 67.952 -4.697 12.971 1.00 0.00 H new ATOM 461 N GLU A 437 67.456 -7.125 8.714 1.00 0.00 N ATOM 462 CA GLU A 437 66.978 -7.939 7.557 1.00 0.00 C ATOM 463 C GLU A 437 67.911 -9.130 7.326 1.00 0.00 C ATOM 464 O GLU A 437 68.999 -9.192 7.865 1.00 0.00 O ATOM 465 CB GLU A 437 67.014 -6.988 6.360 1.00 0.00 C ATOM 466 CG GLU A 437 65.768 -6.099 6.373 1.00 0.00 C ATOM 467 CD GLU A 437 66.107 -4.751 7.013 1.00 0.00 C ATOM 468 OE1 GLU A 437 66.649 -4.754 8.105 1.00 0.00 O ATOM 469 OE2 GLU A 437 65.816 -3.737 6.399 1.00 0.00 O ATOM 0 H GLU A 437 67.942 -6.263 8.466 1.00 0.00 H new ATOM 0 HA GLU A 437 65.981 -8.346 7.723 1.00 0.00 H new ATOM 0 HB2 GLU A 437 67.913 -6.372 6.399 1.00 0.00 H new ATOM 0 HB3 GLU A 437 67.057 -7.557 5.432 1.00 0.00 H new ATOM 0 HG2 GLU A 437 65.405 -5.949 5.356 1.00 0.00 H new ATOM 0 HG3 GLU A 437 64.967 -6.586 6.929 1.00 0.00 H new ATOM 476 N LEU A 438 67.492 -10.077 6.528 1.00 0.00 N ATOM 477 CA LEU A 438 68.353 -11.266 6.261 1.00 0.00 C ATOM 478 C LEU A 438 68.741 -11.321 4.782 1.00 0.00 C ATOM 479 O LEU A 438 68.082 -11.954 3.980 1.00 0.00 O ATOM 480 CB LEU A 438 67.489 -12.471 6.636 1.00 0.00 C ATOM 481 CG LEU A 438 67.718 -12.827 8.105 1.00 0.00 C ATOM 482 CD1 LEU A 438 66.631 -13.797 8.571 1.00 0.00 C ATOM 483 CD2 LEU A 438 69.091 -13.485 8.261 1.00 0.00 C ATOM 0 H LEU A 438 66.591 -10.078 6.050 1.00 0.00 H new ATOM 0 HA LEU A 438 69.283 -11.238 6.829 1.00 0.00 H new ATOM 0 HB2 LEU A 438 66.437 -12.244 6.466 1.00 0.00 H new ATOM 0 HB3 LEU A 438 67.738 -13.322 6.002 1.00 0.00 H new ATOM 0 HG LEU A 438 67.678 -11.921 8.709 1.00 0.00 H new ATOM 0 HD11 LEU A 438 66.794 -14.051 9.618 1.00 0.00 H new ATOM 0 HD12 LEU A 438 65.653 -13.329 8.459 1.00 0.00 H new ATOM 0 HD13 LEU A 438 66.670 -14.704 7.968 1.00 0.00 H new ATOM 0 HD21 LEU A 438 69.256 -13.739 9.308 1.00 0.00 H new ATOM 0 HD22 LEU A 438 69.131 -14.391 7.657 1.00 0.00 H new ATOM 0 HD23 LEU A 438 69.866 -12.794 7.929 1.00 0.00 H new ATOM 495 N ASN A 439 69.809 -10.660 4.414 1.00 0.00 N ATOM 496 CA ASN A 439 70.248 -10.670 2.985 1.00 0.00 C ATOM 497 C ASN A 439 69.091 -10.268 2.063 1.00 0.00 C ATOM 498 O ASN A 439 68.873 -10.868 1.029 1.00 0.00 O ATOM 499 CB ASN A 439 70.680 -12.111 2.708 1.00 0.00 C ATOM 500 CG ASN A 439 71.991 -12.113 1.918 1.00 0.00 C ATOM 501 OD1 ASN A 439 72.804 -11.223 2.066 1.00 0.00 O ATOM 502 ND2 ASN A 439 72.232 -13.083 1.079 1.00 0.00 N ATOM 0 H ASN A 439 70.397 -10.113 5.042 1.00 0.00 H new ATOM 0 HA ASN A 439 71.055 -9.961 2.802 1.00 0.00 H new ATOM 0 HB2 ASN A 439 70.809 -12.649 3.647 1.00 0.00 H new ATOM 0 HB3 ASN A 439 69.905 -12.632 2.146 1.00 0.00 H new ATOM 0 HD21 ASN A 439 73.103 -13.093 0.548 1.00 0.00 H new ATOM 0 HD22 ASN A 439 71.550 -13.831 0.954 1.00 0.00 H new ATOM 509 N LYS A 440 68.351 -9.255 2.430 1.00 0.00 N ATOM 510 CA LYS A 440 67.210 -8.814 1.575 1.00 0.00 C ATOM 511 C LYS A 440 66.950 -7.313 1.767 1.00 0.00 C ATOM 512 O LYS A 440 67.218 -6.769 2.820 1.00 0.00 O ATOM 513 CB LYS A 440 66.008 -9.636 2.050 1.00 0.00 C ATOM 514 CG LYS A 440 65.783 -9.412 3.549 1.00 0.00 C ATOM 515 CD LYS A 440 64.283 -9.442 3.850 1.00 0.00 C ATOM 516 CE LYS A 440 63.788 -10.892 3.857 1.00 0.00 C ATOM 517 NZ LYS A 440 63.357 -11.145 5.261 1.00 0.00 N ATOM 0 H LYS A 440 68.487 -8.714 3.284 1.00 0.00 H new ATOM 0 HA LYS A 440 67.409 -8.967 0.514 1.00 0.00 H new ATOM 0 HB2 LYS A 440 65.117 -9.348 1.493 1.00 0.00 H new ATOM 0 HB3 LYS A 440 66.179 -10.694 1.853 1.00 0.00 H new ATOM 0 HG2 LYS A 440 66.296 -10.183 4.124 1.00 0.00 H new ATOM 0 HG3 LYS A 440 66.206 -8.454 3.852 1.00 0.00 H new ATOM 0 HD2 LYS A 440 64.086 -8.976 4.815 1.00 0.00 H new ATOM 0 HD3 LYS A 440 63.740 -8.866 3.101 1.00 0.00 H new ATOM 0 HE2 LYS A 440 62.962 -11.031 3.159 1.00 0.00 H new ATOM 0 HE3 LYS A 440 64.578 -11.580 3.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 63.005 -12.120 5.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 64.165 -11.012 5.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 62.600 -10.480 5.517 1.00 0.00 H new ATOM 531 N PRO A 441 66.434 -6.690 0.736 1.00 0.00 N ATOM 532 CA PRO A 441 66.137 -5.236 0.796 1.00 0.00 C ATOM 533 C PRO A 441 64.955 -4.951 1.724 1.00 0.00 C ATOM 534 O PRO A 441 64.097 -5.787 1.930 1.00 0.00 O ATOM 535 CB PRO A 441 65.775 -4.882 -0.644 1.00 0.00 C ATOM 536 CG PRO A 441 65.316 -6.168 -1.252 1.00 0.00 C ATOM 537 CD PRO A 441 66.081 -7.268 -0.567 1.00 0.00 C ATOM 0 HA PRO A 441 66.974 -4.657 1.186 1.00 0.00 H new ATOM 0 HB2 PRO A 441 64.991 -4.126 -0.680 1.00 0.00 H new ATOM 0 HB3 PRO A 441 66.634 -4.476 -1.179 1.00 0.00 H new ATOM 0 HG2 PRO A 441 64.243 -6.300 -1.115 1.00 0.00 H new ATOM 0 HG3 PRO A 441 65.503 -6.177 -2.326 1.00 0.00 H new ATOM 0 HD2 PRO A 441 65.475 -8.167 -0.455 1.00 0.00 H new ATOM 0 HD3 PRO A 441 66.969 -7.551 -1.133 1.00 0.00 H new ATOM 545 N ALA A 442 64.897 -3.765 2.267 1.00 0.00 N ATOM 546 CA ALA A 442 63.764 -3.403 3.165 1.00 0.00 C ATOM 547 C ALA A 442 62.782 -2.517 2.396 1.00 0.00 C ATOM 548 O ALA A 442 63.111 -1.421 1.988 1.00 0.00 O ATOM 549 CB ALA A 442 64.397 -2.629 4.322 1.00 0.00 C ATOM 0 H ALA A 442 65.589 -3.029 2.126 1.00 0.00 H new ATOM 0 HA ALA A 442 63.214 -4.273 3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 442 63.621 -2.328 5.026 1.00 0.00 H new ATOM 0 HB2 ALA A 442 65.123 -3.264 4.831 1.00 0.00 H new ATOM 0 HB3 ALA A 442 64.899 -1.742 3.935 1.00 0.00 H new ATOM 555 N MET A 443 61.584 -2.988 2.181 1.00 0.00 N ATOM 556 CA MET A 443 60.592 -2.176 1.421 1.00 0.00 C ATOM 557 C MET A 443 59.609 -1.497 2.375 1.00 0.00 C ATOM 558 O MET A 443 59.245 -2.039 3.401 1.00 0.00 O ATOM 559 CB MET A 443 59.861 -3.177 0.528 1.00 0.00 C ATOM 560 CG MET A 443 60.658 -3.389 -0.761 1.00 0.00 C ATOM 561 SD MET A 443 59.836 -4.639 -1.780 1.00 0.00 S ATOM 562 CE MET A 443 58.867 -3.498 -2.799 1.00 0.00 C ATOM 0 H MET A 443 61.250 -3.898 2.498 1.00 0.00 H new ATOM 0 HA MET A 443 61.070 -1.384 0.845 1.00 0.00 H new ATOM 0 HB2 MET A 443 59.737 -4.125 1.052 1.00 0.00 H new ATOM 0 HB3 MET A 443 58.862 -2.810 0.294 1.00 0.00 H new ATOM 0 HG2 MET A 443 60.737 -2.451 -1.311 1.00 0.00 H new ATOM 0 HG3 MET A 443 61.674 -3.707 -0.525 1.00 0.00 H new ATOM 0 HE1 MET A 443 57.974 -4.005 -3.165 1.00 0.00 H new ATOM 0 HE2 MET A 443 58.575 -2.635 -2.201 1.00 0.00 H new ATOM 0 HE3 MET A 443 59.468 -3.166 -3.646 1.00 0.00 H new ATOM 572 N ILE A 444 59.173 -0.315 2.037 1.00 0.00 N ATOM 573 CA ILE A 444 58.209 0.410 2.904 1.00 0.00 C ATOM 574 C ILE A 444 56.981 0.813 2.084 1.00 0.00 C ATOM 575 O ILE A 444 56.962 0.677 0.873 1.00 0.00 O ATOM 576 CB ILE A 444 58.958 1.652 3.390 1.00 0.00 C ATOM 577 CG1 ILE A 444 59.470 2.459 2.182 1.00 0.00 C ATOM 578 CG2 ILE A 444 60.126 1.229 4.288 1.00 0.00 C ATOM 579 CD1 ILE A 444 60.904 2.051 1.816 1.00 0.00 C ATOM 0 H ILE A 444 59.447 0.182 1.189 1.00 0.00 H new ATOM 0 HA ILE A 444 57.860 -0.200 3.737 1.00 0.00 H new ATOM 0 HB ILE A 444 58.282 2.283 3.967 1.00 0.00 H new ATOM 0 HG12 ILE A 444 58.813 2.298 1.327 1.00 0.00 H new ATOM 0 HG13 ILE A 444 59.438 3.524 2.412 1.00 0.00 H new ATOM 0 HG21 ILE A 444 60.659 2.115 4.633 1.00 0.00 H new ATOM 0 HG22 ILE A 444 59.743 0.678 5.147 1.00 0.00 H new ATOM 0 HG23 ILE A 444 60.808 0.593 3.723 1.00 0.00 H new ATOM 0 HD11 ILE A 444 61.241 2.636 0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 444 61.563 2.236 2.664 1.00 0.00 H new ATOM 0 HD13 ILE A 444 60.927 0.991 1.563 1.00 0.00 H new ATOM 591 N TYR A 445 55.960 1.310 2.730 1.00 0.00 N ATOM 592 CA TYR A 445 54.736 1.725 1.985 1.00 0.00 C ATOM 593 C TYR A 445 54.649 3.254 1.920 1.00 0.00 C ATOM 594 O TYR A 445 54.816 3.936 2.912 1.00 0.00 O ATOM 595 CB TYR A 445 53.566 1.123 2.772 1.00 0.00 C ATOM 596 CG TYR A 445 53.314 1.919 4.032 1.00 0.00 C ATOM 597 CD1 TYR A 445 52.498 3.053 3.982 1.00 0.00 C ATOM 598 CD2 TYR A 445 53.891 1.523 5.244 1.00 0.00 C ATOM 599 CE1 TYR A 445 52.256 3.794 5.145 1.00 0.00 C ATOM 600 CE2 TYR A 445 53.651 2.263 6.408 1.00 0.00 C ATOM 601 CZ TYR A 445 52.833 3.398 6.358 1.00 0.00 C ATOM 602 OH TYR A 445 52.595 4.129 7.504 1.00 0.00 O ATOM 0 H TYR A 445 55.921 1.446 3.740 1.00 0.00 H new ATOM 0 HA TYR A 445 54.735 1.377 0.952 1.00 0.00 H new ATOM 0 HB2 TYR A 445 52.669 1.116 2.153 1.00 0.00 H new ATOM 0 HB3 TYR A 445 53.786 0.086 3.027 1.00 0.00 H new ATOM 0 HD1 TYR A 445 52.054 3.358 3.046 1.00 0.00 H new ATOM 0 HD2 TYR A 445 54.521 0.647 5.281 1.00 0.00 H new ATOM 0 HE1 TYR A 445 51.625 4.670 5.107 1.00 0.00 H new ATOM 0 HE2 TYR A 445 54.096 1.959 7.344 1.00 0.00 H new ATOM 0 HH TYR A 445 53.068 3.719 8.258 1.00 0.00 H new ATOM 612 N CYS A 446 54.393 3.798 0.758 1.00 0.00 N ATOM 613 CA CYS A 446 54.298 5.283 0.635 1.00 0.00 C ATOM 614 C CYS A 446 53.009 5.788 1.288 1.00 0.00 C ATOM 615 O CYS A 446 52.071 5.041 1.487 1.00 0.00 O ATOM 616 CB CYS A 446 54.282 5.565 -0.868 1.00 0.00 C ATOM 617 SG CYS A 446 54.375 7.351 -1.152 1.00 0.00 S ATOM 0 H CYS A 446 54.246 3.280 -0.108 1.00 0.00 H new ATOM 0 HA CYS A 446 55.126 5.787 1.133 1.00 0.00 H new ATOM 0 HB2 CYS A 446 55.122 5.066 -1.351 1.00 0.00 H new ATOM 0 HB3 CYS A 446 53.373 5.162 -1.314 1.00 0.00 H new ATOM 0 HG CYS A 446 55.371 7.613 -1.945 1.00 0.00 H new ATOM 622 N SER A 447 52.956 7.049 1.622 1.00 0.00 N ATOM 623 CA SER A 447 51.728 7.605 2.262 1.00 0.00 C ATOM 624 C SER A 447 50.932 8.430 1.247 1.00 0.00 C ATOM 625 O SER A 447 50.284 9.399 1.594 1.00 0.00 O ATOM 626 CB SER A 447 52.240 8.493 3.395 1.00 0.00 C ATOM 627 OG SER A 447 51.448 8.276 4.556 1.00 0.00 O ATOM 0 H SER A 447 53.711 7.720 1.479 1.00 0.00 H new ATOM 0 HA SER A 447 51.061 6.824 2.628 1.00 0.00 H new ATOM 0 HB2 SER A 447 53.285 8.267 3.606 1.00 0.00 H new ATOM 0 HB3 SER A 447 52.194 9.541 3.100 1.00 0.00 H new ATOM 0 HG SER A 447 51.775 8.843 5.285 1.00 0.00 H new ATOM 633 N HIS A 448 50.976 8.054 -0.003 1.00 0.00 N ATOM 634 CA HIS A 448 50.222 8.815 -1.041 1.00 0.00 C ATOM 635 C HIS A 448 48.785 8.294 -1.141 1.00 0.00 C ATOM 636 O HIS A 448 48.379 7.425 -0.393 1.00 0.00 O ATOM 637 CB HIS A 448 50.977 8.560 -2.345 1.00 0.00 C ATOM 638 CG HIS A 448 50.778 9.725 -3.277 1.00 0.00 C ATOM 639 ND1 HIS A 448 51.366 10.959 -3.051 1.00 0.00 N ATOM 640 CD2 HIS A 448 50.060 9.859 -4.438 1.00 0.00 C ATOM 641 CE1 HIS A 448 50.994 11.776 -4.053 1.00 0.00 C ATOM 642 NE2 HIS A 448 50.197 11.154 -4.928 1.00 0.00 N ATOM 0 H HIS A 448 51.502 7.252 -0.350 1.00 0.00 H new ATOM 0 HA HIS A 448 50.158 9.878 -0.808 1.00 0.00 H new ATOM 0 HB2 HIS A 448 52.039 8.421 -2.142 1.00 0.00 H new ATOM 0 HB3 HIS A 448 50.619 7.642 -2.811 1.00 0.00 H new ATOM 0 HD2 HIS A 448 49.476 9.077 -4.902 1.00 0.00 H new ATOM 0 HE1 HIS A 448 51.301 12.808 -4.140 1.00 0.00 H new ATOM 0 HE2 HIS A 448 49.779 11.545 -5.773 1.00 0.00 H new ATOM 650 N GLY A 449 48.016 8.817 -2.058 1.00 0.00 N ATOM 651 CA GLY A 449 46.606 8.353 -2.206 1.00 0.00 C ATOM 652 C GLY A 449 46.591 6.876 -2.604 1.00 0.00 C ATOM 653 O GLY A 449 45.674 6.147 -2.278 1.00 0.00 O ATOM 0 H GLY A 449 48.303 9.546 -2.711 1.00 0.00 H new ATOM 0 HA2 GLY A 449 46.066 8.493 -1.269 1.00 0.00 H new ATOM 0 HA3 GLY A 449 46.094 8.949 -2.961 1.00 0.00 H new ATOM 657 N ASP A 450 47.598 6.430 -3.304 1.00 0.00 N ATOM 658 CA ASP A 450 47.644 4.998 -3.722 1.00 0.00 C ATOM 659 C ASP A 450 48.509 4.190 -2.752 1.00 0.00 C ATOM 660 O ASP A 450 48.162 3.091 -2.365 1.00 0.00 O ATOM 661 CB ASP A 450 48.272 5.013 -5.116 1.00 0.00 C ATOM 662 CG ASP A 450 48.001 3.679 -5.813 1.00 0.00 C ATOM 663 OD1 ASP A 450 48.704 2.727 -5.521 1.00 0.00 O ATOM 664 OD2 ASP A 450 47.094 3.633 -6.630 1.00 0.00 O ATOM 0 H ASP A 450 48.392 6.995 -3.605 1.00 0.00 H new ATOM 0 HA ASP A 450 46.656 4.537 -3.724 1.00 0.00 H new ATOM 0 HB2 ASP A 450 47.859 5.833 -5.704 1.00 0.00 H new ATOM 0 HB3 ASP A 450 49.346 5.184 -5.041 1.00 0.00 H new ATOM 669 N GLY A 451 49.633 4.726 -2.358 1.00 0.00 N ATOM 670 CA GLY A 451 50.523 3.992 -1.413 1.00 0.00 C ATOM 671 C GLY A 451 51.059 2.730 -2.089 1.00 0.00 C ATOM 672 O GLY A 451 50.316 1.825 -2.416 1.00 0.00 O ATOM 0 H GLY A 451 49.974 5.642 -2.650 1.00 0.00 H new ATOM 0 HA2 GLY A 451 51.350 4.632 -1.106 1.00 0.00 H new ATOM 0 HA3 GLY A 451 49.972 3.727 -0.510 1.00 0.00 H new ATOM 676 N HIS A 452 52.347 2.657 -2.289 1.00 0.00 N ATOM 677 CA HIS A 452 52.939 1.447 -2.929 1.00 0.00 C ATOM 678 C HIS A 452 54.107 0.925 -2.100 1.00 0.00 C ATOM 679 O HIS A 452 54.493 1.511 -1.108 1.00 0.00 O ATOM 680 CB HIS A 452 53.412 1.863 -4.329 1.00 0.00 C ATOM 681 CG HIS A 452 54.270 3.105 -4.274 1.00 0.00 C ATOM 682 ND1 HIS A 452 55.525 3.155 -4.865 1.00 0.00 N ATOM 683 CD2 HIS A 452 54.068 4.350 -3.729 1.00 0.00 C ATOM 684 CE1 HIS A 452 56.019 4.391 -4.661 1.00 0.00 C ATOM 685 NE2 HIS A 452 55.170 5.154 -3.973 1.00 0.00 N ATOM 0 H HIS A 452 53.016 3.384 -2.036 1.00 0.00 H new ATOM 0 HA HIS A 452 52.204 0.644 -2.995 1.00 0.00 H new ATOM 0 HB2 HIS A 452 53.977 1.048 -4.781 1.00 0.00 H new ATOM 0 HB3 HIS A 452 52.548 2.044 -4.968 1.00 0.00 H new ATOM 0 HD1 HIS A 452 55.988 2.395 -5.363 1.00 0.00 H new ATOM 0 HD2 HIS A 452 53.183 4.656 -3.191 1.00 0.00 H new ATOM 0 HE1 HIS A 452 56.985 4.723 -5.012 1.00 0.00 H new ATOM 693 N TRP A 453 54.663 -0.179 -2.507 1.00 0.00 N ATOM 694 CA TRP A 453 55.804 -0.772 -1.757 1.00 0.00 C ATOM 695 C TRP A 453 57.121 -0.507 -2.492 1.00 0.00 C ATOM 696 O TRP A 453 57.246 -0.776 -3.671 1.00 0.00 O ATOM 697 CB TRP A 453 55.497 -2.267 -1.735 1.00 0.00 C ATOM 698 CG TRP A 453 54.624 -2.586 -0.565 1.00 0.00 C ATOM 699 CD1 TRP A 453 53.336 -2.990 -0.648 1.00 0.00 C ATOM 700 CD2 TRP A 453 54.947 -2.536 0.855 1.00 0.00 C ATOM 701 NE1 TRP A 453 52.847 -3.191 0.631 1.00 0.00 N ATOM 702 CE2 TRP A 453 53.802 -2.925 1.591 1.00 0.00 C ATOM 703 CE3 TRP A 453 56.110 -2.195 1.570 1.00 0.00 C ATOM 704 CZ2 TRP A 453 53.811 -2.974 2.985 1.00 0.00 C ATOM 705 CZ3 TRP A 453 56.122 -2.243 2.973 1.00 0.00 C ATOM 706 CH2 TRP A 453 54.975 -2.632 3.680 1.00 0.00 C ATOM 0 H TRP A 453 54.374 -0.701 -3.334 1.00 0.00 H new ATOM 0 HA TRP A 453 55.915 -0.351 -0.758 1.00 0.00 H new ATOM 0 HB2 TRP A 453 55.002 -2.560 -2.661 1.00 0.00 H new ATOM 0 HB3 TRP A 453 56.424 -2.837 -1.675 1.00 0.00 H new ATOM 0 HD1 TRP A 453 52.780 -3.132 -1.563 1.00 0.00 H new ATOM 0 HE1 TRP A 453 51.897 -3.498 0.839 1.00 0.00 H new ATOM 0 HE3 TRP A 453 56.999 -1.894 1.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 453 52.925 -3.274 3.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 453 57.020 -1.979 3.511 1.00 0.00 H new ATOM 0 HH2 TRP A 453 54.991 -2.667 4.759 1.00 0.00 H new ATOM 717 N VAL A 454 58.106 0.013 -1.807 1.00 0.00 N ATOM 718 CA VAL A 454 59.415 0.288 -2.478 1.00 0.00 C ATOM 719 C VAL A 454 60.568 0.208 -1.470 1.00 0.00 C ATOM 720 O VAL A 454 60.380 0.392 -0.285 1.00 0.00 O ATOM 721 CB VAL A 454 59.290 1.706 -3.043 1.00 0.00 C ATOM 722 CG1 VAL A 454 58.222 1.731 -4.139 1.00 0.00 C ATOM 723 CG2 VAL A 454 58.890 2.671 -1.927 1.00 0.00 C ATOM 0 H VAL A 454 58.063 0.259 -0.818 1.00 0.00 H new ATOM 0 HA VAL A 454 59.631 -0.442 -3.258 1.00 0.00 H new ATOM 0 HB VAL A 454 60.249 2.010 -3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 454 58.135 2.741 -4.539 1.00 0.00 H new ATOM 0 HG12 VAL A 454 58.505 1.047 -4.939 1.00 0.00 H new ATOM 0 HG13 VAL A 454 57.264 1.423 -3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 454 58.802 3.679 -2.332 1.00 0.00 H new ATOM 0 HG22 VAL A 454 57.933 2.364 -1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 454 59.650 2.659 -1.146 1.00 0.00 H new ATOM 733 N HIS A 455 61.762 -0.067 -1.935 1.00 0.00 N ATOM 734 CA HIS A 455 62.929 -0.161 -1.003 1.00 0.00 C ATOM 735 C HIS A 455 63.147 1.180 -0.296 1.00 0.00 C ATOM 736 O HIS A 455 62.698 2.212 -0.755 1.00 0.00 O ATOM 737 CB HIS A 455 64.140 -0.501 -1.884 1.00 0.00 C ATOM 738 CG HIS A 455 63.831 -1.686 -2.747 1.00 0.00 C ATOM 739 ND1 HIS A 455 63.744 -1.598 -4.141 1.00 0.00 N ATOM 740 CD2 HIS A 455 63.558 -2.985 -2.430 1.00 0.00 C ATOM 741 CE1 HIS A 455 63.420 -2.827 -4.604 1.00 0.00 C ATOM 742 NE2 HIS A 455 63.302 -3.676 -3.597 1.00 0.00 N ATOM 0 H HIS A 455 61.979 -0.230 -2.918 1.00 0.00 H new ATOM 0 HA HIS A 455 62.770 -0.914 -0.231 1.00 0.00 H new ATOM 0 HB2 HIS A 455 64.398 0.355 -2.507 1.00 0.00 H new ATOM 0 HB3 HIS A 455 65.007 -0.713 -1.258 1.00 0.00 H new ATOM 0 HD2 HIS A 455 63.545 -3.402 -1.434 1.00 0.00 H new ATOM 0 HE1 HIS A 455 63.278 -3.078 -5.645 1.00 0.00 H new ATOM 0 HE2 HIS A 455 63.064 -4.665 -3.670 1.00 0.00 H new ATOM 750 N ALA A 456 63.832 1.171 0.816 1.00 0.00 N ATOM 751 CA ALA A 456 64.079 2.444 1.554 1.00 0.00 C ATOM 752 C ALA A 456 65.409 3.066 1.117 1.00 0.00 C ATOM 753 O ALA A 456 65.477 4.234 0.785 1.00 0.00 O ATOM 754 CB ALA A 456 64.134 2.042 3.028 1.00 0.00 C ATOM 0 H ALA A 456 64.232 0.337 1.246 1.00 0.00 H new ATOM 0 HA ALA A 456 63.306 3.188 1.361 1.00 0.00 H new ATOM 0 HB1 ALA A 456 64.313 2.926 3.640 1.00 0.00 H new ATOM 0 HB2 ALA A 456 63.186 1.587 3.317 1.00 0.00 H new ATOM 0 HB3 ALA A 456 64.942 1.326 3.180 1.00 0.00 H new ATOM 760 N GLN A 457 66.464 2.296 1.115 1.00 0.00 N ATOM 761 CA GLN A 457 67.791 2.845 0.702 1.00 0.00 C ATOM 762 C GLN A 457 67.730 3.360 -0.742 1.00 0.00 C ATOM 763 O GLN A 457 68.480 4.235 -1.128 1.00 0.00 O ATOM 764 CB GLN A 457 68.766 1.670 0.821 1.00 0.00 C ATOM 765 CG GLN A 457 68.339 0.544 -0.124 1.00 0.00 C ATOM 766 CD GLN A 457 69.405 -0.554 -0.124 1.00 0.00 C ATOM 767 OE1 GLN A 457 69.773 -1.059 -1.165 1.00 0.00 O ATOM 768 NE2 GLN A 457 69.919 -0.946 1.010 1.00 0.00 N ATOM 0 H GLN A 457 66.466 1.311 1.381 1.00 0.00 H new ATOM 0 HA GLN A 457 68.098 3.688 1.321 1.00 0.00 H new ATOM 0 HB2 GLN A 457 69.777 1.998 0.577 1.00 0.00 H new ATOM 0 HB3 GLN A 457 68.788 1.306 1.848 1.00 0.00 H new ATOM 0 HG2 GLN A 457 67.380 0.134 0.192 1.00 0.00 H new ATOM 0 HG3 GLN A 457 68.203 0.934 -1.133 1.00 0.00 H new ATOM 0 HE21 GLN A 457 69.609 -0.521 1.884 1.00 0.00 H new ATOM 0 HE22 GLN A 457 70.630 -1.677 1.022 1.00 0.00 H new ATOM 777 N CYS A 458 66.843 2.824 -1.538 1.00 0.00 N ATOM 778 CA CYS A 458 66.734 3.286 -2.954 1.00 0.00 C ATOM 779 C CYS A 458 66.348 4.767 -3.001 1.00 0.00 C ATOM 780 O CYS A 458 66.559 5.441 -3.992 1.00 0.00 O ATOM 781 CB CYS A 458 65.626 2.433 -3.572 1.00 0.00 C ATOM 782 SG CYS A 458 66.332 0.905 -4.236 1.00 0.00 S ATOM 0 H CYS A 458 66.190 2.088 -1.270 1.00 0.00 H new ATOM 0 HA CYS A 458 67.678 3.182 -3.490 1.00 0.00 H new ATOM 0 HB2 CYS A 458 64.871 2.200 -2.821 1.00 0.00 H new ATOM 0 HB3 CYS A 458 65.126 2.989 -4.365 1.00 0.00 H new ATOM 0 HG CYS A 458 65.709 0.579 -5.329 1.00 0.00 H new ATOM 787 N MET A 459 65.777 5.278 -1.943 1.00 0.00 N ATOM 788 CA MET A 459 65.370 6.715 -1.932 1.00 0.00 C ATOM 789 C MET A 459 66.392 7.548 -1.156 1.00 0.00 C ATOM 790 O MET A 459 66.040 8.446 -0.415 1.00 0.00 O ATOM 791 CB MET A 459 64.005 6.752 -1.229 1.00 0.00 C ATOM 792 CG MET A 459 63.169 5.518 -1.605 1.00 0.00 C ATOM 793 SD MET A 459 63.048 5.375 -3.407 1.00 0.00 S ATOM 794 CE MET A 459 61.305 4.899 -3.478 1.00 0.00 C ATOM 0 H MET A 459 65.575 4.763 -1.086 1.00 0.00 H new ATOM 0 HA MET A 459 65.316 7.129 -2.939 1.00 0.00 H new ATOM 0 HB2 MET A 459 64.147 6.786 -0.149 1.00 0.00 H new ATOM 0 HB3 MET A 459 63.470 7.659 -1.509 1.00 0.00 H new ATOM 0 HG2 MET A 459 63.626 4.619 -1.191 1.00 0.00 H new ATOM 0 HG3 MET A 459 62.172 5.598 -1.171 1.00 0.00 H new ATOM 0 HE1 MET A 459 61.218 3.899 -3.904 1.00 0.00 H new ATOM 0 HE2 MET A 459 60.885 4.903 -2.472 1.00 0.00 H new ATOM 0 HE3 MET A 459 60.759 5.607 -4.101 1.00 0.00 H new ATOM 804 N ASP A 460 67.658 7.258 -1.319 1.00 0.00 N ATOM 805 CA ASP A 460 68.713 8.029 -0.591 1.00 0.00 C ATOM 806 C ASP A 460 68.410 8.063 0.912 1.00 0.00 C ATOM 807 O ASP A 460 67.865 9.022 1.423 1.00 0.00 O ATOM 808 CB ASP A 460 68.659 9.440 -1.181 1.00 0.00 C ATOM 809 CG ASP A 460 69.094 9.397 -2.648 1.00 0.00 C ATOM 810 OD1 ASP A 460 68.309 8.948 -3.465 1.00 0.00 O ATOM 811 OD2 ASP A 460 70.206 9.815 -2.928 1.00 0.00 O ATOM 0 H ASP A 460 68.008 6.518 -1.927 1.00 0.00 H new ATOM 0 HA ASP A 460 69.699 7.578 -0.704 1.00 0.00 H new ATOM 0 HB2 ASP A 460 67.648 9.840 -1.102 1.00 0.00 H new ATOM 0 HB3 ASP A 460 69.311 10.107 -0.617 1.00 0.00 H new ATOM 816 N LEU A 461 68.760 7.022 1.620 1.00 0.00 N ATOM 817 CA LEU A 461 68.494 6.993 3.089 1.00 0.00 C ATOM 818 C LEU A 461 69.527 6.112 3.797 1.00 0.00 C ATOM 819 O LEU A 461 70.397 5.536 3.173 1.00 0.00 O ATOM 820 CB LEU A 461 67.094 6.391 3.228 1.00 0.00 C ATOM 821 CG LEU A 461 66.052 7.515 3.269 1.00 0.00 C ATOM 822 CD1 LEU A 461 65.190 7.464 2.006 1.00 0.00 C ATOM 823 CD2 LEU A 461 65.158 7.342 4.500 1.00 0.00 C ATOM 0 H LEU A 461 69.218 6.191 1.246 1.00 0.00 H new ATOM 0 HA LEU A 461 68.559 7.984 3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 461 66.890 5.723 2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 461 67.033 5.792 4.137 1.00 0.00 H new ATOM 0 HG LEU A 461 66.563 8.476 3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 461 64.450 8.264 2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 461 65.823 7.590 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 461 64.681 6.501 1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 461 64.418 8.142 4.528 1.00 0.00 H new ATOM 0 HD22 LEU A 461 64.650 6.379 4.448 1.00 0.00 H new ATOM 0 HD23 LEU A 461 65.769 7.382 5.402 1.00 0.00 H new ATOM 835 N GLU A 462 69.439 6.006 5.096 1.00 0.00 N ATOM 836 CA GLU A 462 70.415 5.164 5.848 1.00 0.00 C ATOM 837 C GLU A 462 69.673 4.188 6.765 1.00 0.00 C ATOM 838 O GLU A 462 68.474 4.281 6.944 1.00 0.00 O ATOM 839 CB GLU A 462 71.239 6.154 6.673 1.00 0.00 C ATOM 840 CG GLU A 462 72.695 5.689 6.724 1.00 0.00 C ATOM 841 CD GLU A 462 73.421 6.403 7.866 1.00 0.00 C ATOM 842 OE1 GLU A 462 72.982 6.269 8.996 1.00 0.00 O ATOM 843 OE2 GLU A 462 74.404 7.072 7.591 1.00 0.00 O ATOM 0 H GLU A 462 68.733 6.467 5.670 1.00 0.00 H new ATOM 0 HA GLU A 462 71.041 4.565 5.186 1.00 0.00 H new ATOM 0 HB2 GLU A 462 71.179 7.149 6.232 1.00 0.00 H new ATOM 0 HB3 GLU A 462 70.834 6.228 7.682 1.00 0.00 H new ATOM 0 HG2 GLU A 462 72.738 4.610 6.871 1.00 0.00 H new ATOM 0 HG3 GLU A 462 73.189 5.902 5.776 1.00 0.00 H new ATOM 850 N GLU A 463 70.375 3.253 7.348 1.00 0.00 N ATOM 851 CA GLU A 463 69.709 2.271 8.253 1.00 0.00 C ATOM 852 C GLU A 463 69.092 2.992 9.456 1.00 0.00 C ATOM 853 O GLU A 463 68.145 2.521 10.055 1.00 0.00 O ATOM 854 CB GLU A 463 70.822 1.320 8.704 1.00 0.00 C ATOM 855 CG GLU A 463 71.917 2.109 9.430 1.00 0.00 C ATOM 856 CD GLU A 463 71.740 1.960 10.943 1.00 0.00 C ATOM 857 OE1 GLU A 463 71.505 0.846 11.384 1.00 0.00 O ATOM 858 OE2 GLU A 463 71.843 2.960 11.633 1.00 0.00 O ATOM 0 H GLU A 463 71.381 3.127 7.237 1.00 0.00 H new ATOM 0 HA GLU A 463 68.899 1.737 7.756 1.00 0.00 H new ATOM 0 HB2 GLU A 463 70.414 0.555 9.364 1.00 0.00 H new ATOM 0 HB3 GLU A 463 71.244 0.804 7.841 1.00 0.00 H new ATOM 0 HG2 GLU A 463 72.900 1.745 9.131 1.00 0.00 H new ATOM 0 HG3 GLU A 463 71.868 3.161 9.150 1.00 0.00 H new ATOM 865 N ARG A 464 69.623 4.133 9.812 1.00 0.00 N ATOM 866 CA ARG A 464 69.066 4.886 10.975 1.00 0.00 C ATOM 867 C ARG A 464 67.708 5.488 10.610 1.00 0.00 C ATOM 868 O ARG A 464 66.697 5.155 11.198 1.00 0.00 O ATOM 869 CB ARG A 464 70.087 5.990 11.262 1.00 0.00 C ATOM 870 CG ARG A 464 70.352 6.062 12.767 1.00 0.00 C ATOM 871 CD ARG A 464 70.903 7.444 13.124 1.00 0.00 C ATOM 872 NE ARG A 464 70.320 7.759 14.457 1.00 0.00 N ATOM 873 CZ ARG A 464 70.868 8.675 15.209 1.00 0.00 C ATOM 874 NH1 ARG A 464 72.150 8.643 15.446 1.00 0.00 N ATOM 875 NH2 ARG A 464 70.132 9.622 15.725 1.00 0.00 N ATOM 0 H ARG A 464 70.417 4.575 9.349 1.00 0.00 H new ATOM 0 HA ARG A 464 68.907 4.247 11.844 1.00 0.00 H new ATOM 0 HB2 ARG A 464 71.016 5.789 10.728 1.00 0.00 H new ATOM 0 HB3 ARG A 464 69.713 6.948 10.902 1.00 0.00 H new ATOM 0 HG2 ARG A 464 69.431 5.873 13.318 1.00 0.00 H new ATOM 0 HG3 ARG A 464 71.063 5.289 13.059 1.00 0.00 H new ATOM 0 HD2 ARG A 464 71.992 7.437 13.161 1.00 0.00 H new ATOM 0 HD3 ARG A 464 70.614 8.188 12.381 1.00 0.00 H new ATOM 0 HE ARG A 464 69.493 7.259 14.783 1.00 0.00 H new ATOM 0 HH11 ARG A 464 72.725 7.902 15.044 1.00 0.00 H new ATOM 0 HH12 ARG A 464 72.578 9.359 16.033 1.00 0.00 H new ATOM 0 HH21 ARG A 464 69.129 9.646 15.541 1.00 0.00 H new ATOM 0 HH22 ARG A 464 70.560 10.338 16.312 1.00 0.00 H new ATOM 889 N THR A 465 67.676 6.372 9.644 1.00 0.00 N ATOM 890 CA THR A 465 66.379 6.997 9.239 1.00 0.00 C ATOM 891 C THR A 465 65.306 5.919 9.064 1.00 0.00 C ATOM 892 O THR A 465 64.159 6.108 9.422 1.00 0.00 O ATOM 893 CB THR A 465 66.667 7.693 7.907 1.00 0.00 C ATOM 894 OG1 THR A 465 67.856 8.463 8.026 1.00 0.00 O ATOM 895 CG2 THR A 465 65.498 8.610 7.544 1.00 0.00 C ATOM 0 H THR A 465 68.491 6.688 9.119 1.00 0.00 H new ATOM 0 HA THR A 465 66.007 7.697 9.988 1.00 0.00 H new ATOM 0 HB THR A 465 66.794 6.944 7.125 1.00 0.00 H new ATOM 0 HG1 THR A 465 68.044 8.909 7.174 1.00 0.00 H new ATOM 0 HG21 THR A 465 65.705 9.105 6.595 1.00 0.00 H new ATOM 0 HG22 THR A 465 64.586 8.019 7.454 1.00 0.00 H new ATOM 0 HG23 THR A 465 65.368 9.360 8.324 1.00 0.00 H new ATOM 903 N LEU A 466 65.675 4.783 8.535 1.00 0.00 N ATOM 904 CA LEU A 466 64.680 3.687 8.361 1.00 0.00 C ATOM 905 C LEU A 466 64.214 3.214 9.738 1.00 0.00 C ATOM 906 O LEU A 466 63.048 2.945 9.953 1.00 0.00 O ATOM 907 CB LEU A 466 65.429 2.572 7.629 1.00 0.00 C ATOM 908 CG LEU A 466 64.449 1.785 6.758 1.00 0.00 C ATOM 909 CD1 LEU A 466 65.221 0.794 5.886 1.00 0.00 C ATOM 910 CD2 LEU A 466 63.473 1.021 7.655 1.00 0.00 C ATOM 0 H LEU A 466 66.620 4.568 8.217 1.00 0.00 H new ATOM 0 HA LEU A 466 63.798 4.001 7.803 1.00 0.00 H new ATOM 0 HB2 LEU A 466 66.221 2.996 7.012 1.00 0.00 H new ATOM 0 HB3 LEU A 466 65.907 1.907 8.349 1.00 0.00 H new ATOM 0 HG LEU A 466 63.896 2.474 6.120 1.00 0.00 H new ATOM 0 HD11 LEU A 466 64.522 0.234 5.266 1.00 0.00 H new ATOM 0 HD12 LEU A 466 65.918 1.337 5.247 1.00 0.00 H new ATOM 0 HD13 LEU A 466 65.775 0.104 6.523 1.00 0.00 H new ATOM 0 HD21 LEU A 466 62.773 0.459 7.036 1.00 0.00 H new ATOM 0 HD22 LEU A 466 64.028 0.332 8.292 1.00 0.00 H new ATOM 0 HD23 LEU A 466 62.922 1.726 8.277 1.00 0.00 H new ATOM 922 N ILE A 467 65.118 3.134 10.682 1.00 0.00 N ATOM 923 CA ILE A 467 64.723 2.707 12.055 1.00 0.00 C ATOM 924 C ILE A 467 63.789 3.764 12.638 1.00 0.00 C ATOM 925 O ILE A 467 62.720 3.469 13.136 1.00 0.00 O ATOM 926 CB ILE A 467 66.044 2.619 12.849 1.00 0.00 C ATOM 927 CG1 ILE A 467 66.084 1.295 13.615 1.00 0.00 C ATOM 928 CG2 ILE A 467 66.169 3.784 13.849 1.00 0.00 C ATOM 929 CD1 ILE A 467 67.526 0.792 13.690 1.00 0.00 C ATOM 0 H ILE A 467 66.108 3.345 10.560 1.00 0.00 H new ATOM 0 HA ILE A 467 64.197 1.753 12.080 1.00 0.00 H new ATOM 0 HB ILE A 467 66.874 2.677 12.144 1.00 0.00 H new ATOM 0 HG12 ILE A 467 65.683 1.431 14.619 1.00 0.00 H new ATOM 0 HG13 ILE A 467 65.455 0.556 13.118 1.00 0.00 H new ATOM 0 HG21 ILE A 467 67.109 3.696 14.394 1.00 0.00 H new ATOM 0 HG22 ILE A 467 66.150 4.731 13.309 1.00 0.00 H new ATOM 0 HG23 ILE A 467 65.337 3.751 14.552 1.00 0.00 H new ATOM 0 HD11 ILE A 467 67.554 -0.151 14.236 1.00 0.00 H new ATOM 0 HD12 ILE A 467 67.911 0.640 12.682 1.00 0.00 H new ATOM 0 HD13 ILE A 467 68.142 1.528 14.206 1.00 0.00 H new ATOM 941 N HIS A 468 64.196 5.000 12.562 1.00 0.00 N ATOM 942 CA HIS A 468 63.360 6.104 13.091 1.00 0.00 C ATOM 943 C HIS A 468 61.994 6.062 12.407 1.00 0.00 C ATOM 944 O HIS A 468 60.960 6.131 13.044 1.00 0.00 O ATOM 945 CB HIS A 468 64.133 7.376 12.724 1.00 0.00 C ATOM 946 CG HIS A 468 63.314 8.583 13.067 1.00 0.00 C ATOM 947 ND1 HIS A 468 63.774 9.588 13.903 1.00 0.00 N ATOM 948 CD2 HIS A 468 62.057 8.952 12.689 1.00 0.00 C ATOM 949 CE1 HIS A 468 62.797 10.509 13.997 1.00 0.00 C ATOM 950 NE2 HIS A 468 61.726 10.170 13.275 1.00 0.00 N ATOM 0 H HIS A 468 65.083 5.292 12.151 1.00 0.00 H new ATOM 0 HA HIS A 468 63.181 6.045 14.165 1.00 0.00 H new ATOM 0 HB2 HIS A 468 65.081 7.404 13.261 1.00 0.00 H new ATOM 0 HB3 HIS A 468 64.369 7.375 11.660 1.00 0.00 H new ATOM 0 HD2 HIS A 468 61.414 8.384 12.033 1.00 0.00 H new ATOM 0 HE1 HIS A 468 62.870 11.412 14.585 1.00 0.00 H new ATOM 0 HE2 HIS A 468 60.855 10.691 13.175 1.00 0.00 H new ATOM 958 N LEU A 469 61.991 5.935 11.111 1.00 0.00 N ATOM 959 CA LEU A 469 60.706 5.874 10.365 1.00 0.00 C ATOM 960 C LEU A 469 59.932 4.611 10.757 1.00 0.00 C ATOM 961 O LEU A 469 58.737 4.518 10.554 1.00 0.00 O ATOM 962 CB LEU A 469 61.116 5.829 8.892 1.00 0.00 C ATOM 963 CG LEU A 469 61.058 7.241 8.312 1.00 0.00 C ATOM 964 CD1 LEU A 469 61.807 7.279 6.979 1.00 0.00 C ATOM 965 CD2 LEU A 469 59.599 7.640 8.092 1.00 0.00 C ATOM 0 H LEU A 469 62.829 5.870 10.533 1.00 0.00 H new ATOM 0 HA LEU A 469 60.053 6.720 10.579 1.00 0.00 H new ATOM 0 HB2 LEU A 469 62.123 5.424 8.795 1.00 0.00 H new ATOM 0 HB3 LEU A 469 60.451 5.167 8.337 1.00 0.00 H new ATOM 0 HG LEU A 469 61.525 7.939 9.007 1.00 0.00 H new ATOM 0 HD11 LEU A 469 61.765 8.287 6.566 1.00 0.00 H new ATOM 0 HD12 LEU A 469 62.847 6.995 7.138 1.00 0.00 H new ATOM 0 HD13 LEU A 469 61.343 6.582 6.281 1.00 0.00 H new ATOM 0 HD21 LEU A 469 59.556 8.647 7.678 1.00 0.00 H new ATOM 0 HD22 LEU A 469 59.132 6.942 7.397 1.00 0.00 H new ATOM 0 HD23 LEU A 469 59.068 7.616 9.043 1.00 0.00 H new ATOM 977 N SER A 470 60.604 3.642 11.323 1.00 0.00 N ATOM 978 CA SER A 470 59.907 2.390 11.734 1.00 0.00 C ATOM 979 C SER A 470 59.490 2.469 13.208 1.00 0.00 C ATOM 980 O SER A 470 59.071 1.491 13.794 1.00 0.00 O ATOM 981 CB SER A 470 60.934 1.279 11.526 1.00 0.00 C ATOM 982 OG SER A 470 60.293 0.017 11.657 1.00 0.00 O ATOM 0 H SER A 470 61.605 3.665 11.518 1.00 0.00 H new ATOM 0 HA SER A 470 58.997 2.218 11.159 1.00 0.00 H new ATOM 0 HB2 SER A 470 61.389 1.368 10.539 1.00 0.00 H new ATOM 0 HB3 SER A 470 61.738 1.369 12.257 1.00 0.00 H new ATOM 0 HG SER A 470 59.639 0.056 12.386 1.00 0.00 H new ATOM 988 N GLU A 471 59.606 3.625 13.814 1.00 0.00 N ATOM 989 CA GLU A 471 59.220 3.755 15.250 1.00 0.00 C ATOM 990 C GLU A 471 57.713 3.537 15.417 1.00 0.00 C ATOM 991 O GLU A 471 57.250 3.124 16.462 1.00 0.00 O ATOM 992 CB GLU A 471 59.598 5.186 15.636 1.00 0.00 C ATOM 993 CG GLU A 471 59.816 5.265 17.149 1.00 0.00 C ATOM 994 CD GLU A 471 61.241 4.823 17.483 1.00 0.00 C ATOM 995 OE1 GLU A 471 61.574 3.689 17.182 1.00 0.00 O ATOM 996 OE2 GLU A 471 61.976 5.626 18.034 1.00 0.00 O ATOM 0 H GLU A 471 59.950 4.480 13.377 1.00 0.00 H new ATOM 0 HA GLU A 471 59.720 3.017 15.878 1.00 0.00 H new ATOM 0 HB2 GLU A 471 60.504 5.489 15.111 1.00 0.00 H new ATOM 0 HB3 GLU A 471 58.810 5.876 15.335 1.00 0.00 H new ATOM 0 HG2 GLU A 471 59.649 6.284 17.498 1.00 0.00 H new ATOM 0 HG3 GLU A 471 59.096 4.629 17.664 1.00 0.00 H new ATOM 1003 N GLY A 472 56.946 3.812 14.396 1.00 0.00 N ATOM 1004 CA GLY A 472 55.471 3.620 14.496 1.00 0.00 C ATOM 1005 C GLY A 472 54.760 4.933 14.166 1.00 0.00 C ATOM 1006 O GLY A 472 55.231 6.004 14.496 1.00 0.00 O ATOM 0 H GLY A 472 57.278 4.161 13.497 1.00 0.00 H new ATOM 0 HA2 GLY A 472 55.148 2.837 13.809 1.00 0.00 H new ATOM 0 HA3 GLY A 472 55.204 3.292 15.501 1.00 0.00 H new ATOM 1010 N SER A 473 53.626 4.858 13.517 1.00 0.00 N ATOM 1011 CA SER A 473 52.874 6.100 13.161 1.00 0.00 C ATOM 1012 C SER A 473 53.790 7.093 12.437 1.00 0.00 C ATOM 1013 O SER A 473 53.953 8.221 12.859 1.00 0.00 O ATOM 1014 CB SER A 473 52.400 6.678 14.495 1.00 0.00 C ATOM 1015 OG SER A 473 51.065 6.254 14.742 1.00 0.00 O ATOM 0 H SER A 473 53.187 3.987 13.217 1.00 0.00 H new ATOM 0 HA SER A 473 52.041 5.895 12.489 1.00 0.00 H new ATOM 0 HB2 SER A 473 53.054 6.347 15.301 1.00 0.00 H new ATOM 0 HB3 SER A 473 52.450 7.767 14.471 1.00 0.00 H new ATOM 0 HG SER A 473 50.758 6.621 15.597 1.00 0.00 H new ATOM 1021 N ASN A 474 54.389 6.679 11.353 1.00 0.00 N ATOM 1022 CA ASN A 474 55.295 7.595 10.602 1.00 0.00 C ATOM 1023 C ASN A 474 54.836 7.717 9.146 1.00 0.00 C ATOM 1024 O ASN A 474 54.659 6.732 8.456 1.00 0.00 O ATOM 1025 CB ASN A 474 56.674 6.937 10.676 1.00 0.00 C ATOM 1026 CG ASN A 474 57.506 7.613 11.766 1.00 0.00 C ATOM 1027 OD1 ASN A 474 57.962 8.727 11.597 1.00 0.00 O ATOM 1028 ND2 ASN A 474 57.725 6.984 12.888 1.00 0.00 N ATOM 0 H ASN A 474 54.290 5.745 10.955 1.00 0.00 H new ATOM 0 HA ASN A 474 55.301 8.602 11.018 1.00 0.00 H new ATOM 0 HB2 ASN A 474 56.570 5.873 10.891 1.00 0.00 H new ATOM 0 HB3 ASN A 474 57.180 7.020 9.714 1.00 0.00 H new ATOM 0 HD21 ASN A 474 58.278 7.427 13.622 1.00 0.00 H new ATOM 0 HD22 ASN A 474 57.343 6.049 13.032 1.00 0.00 H new ATOM 1035 N LYS A 475 54.641 8.921 8.676 1.00 0.00 N ATOM 1036 CA LYS A 475 54.193 9.110 7.265 1.00 0.00 C ATOM 1037 C LYS A 475 55.372 8.919 6.307 1.00 0.00 C ATOM 1038 O LYS A 475 55.855 9.860 5.706 1.00 0.00 O ATOM 1039 CB LYS A 475 53.678 10.549 7.201 1.00 0.00 C ATOM 1040 CG LYS A 475 52.464 10.701 8.123 1.00 0.00 C ATOM 1041 CD LYS A 475 52.567 12.021 8.891 1.00 0.00 C ATOM 1042 CE LYS A 475 51.186 12.411 9.425 1.00 0.00 C ATOM 1043 NZ LYS A 475 51.430 12.876 10.819 1.00 0.00 N ATOM 0 H LYS A 475 54.773 9.781 9.208 1.00 0.00 H new ATOM 0 HA LYS A 475 53.427 8.390 6.975 1.00 0.00 H new ATOM 0 HB2 LYS A 475 54.465 11.241 7.501 1.00 0.00 H new ATOM 0 HB3 LYS A 475 53.404 10.803 6.177 1.00 0.00 H new ATOM 0 HG2 LYS A 475 51.545 10.680 7.538 1.00 0.00 H new ATOM 0 HG3 LYS A 475 52.417 9.865 8.821 1.00 0.00 H new ATOM 0 HD2 LYS A 475 53.272 11.920 9.716 1.00 0.00 H new ATOM 0 HD3 LYS A 475 52.951 12.805 8.238 1.00 0.00 H new ATOM 0 HE2 LYS A 475 50.736 13.198 8.819 1.00 0.00 H new ATOM 0 HE3 LYS A 475 50.501 11.563 9.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 50.529 13.161 11.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 51.852 12.104 11.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 52.080 13.688 10.805 1.00 0.00 H new ATOM 1057 N TYR A 476 55.839 7.708 6.160 1.00 0.00 N ATOM 1058 CA TYR A 476 56.989 7.456 5.241 1.00 0.00 C ATOM 1059 C TYR A 476 56.626 7.868 3.811 1.00 0.00 C ATOM 1060 O TYR A 476 55.644 7.415 3.255 1.00 0.00 O ATOM 1061 CB TYR A 476 57.238 5.947 5.316 1.00 0.00 C ATOM 1062 CG TYR A 476 58.657 5.648 4.897 1.00 0.00 C ATOM 1063 CD1 TYR A 476 59.082 5.948 3.597 1.00 0.00 C ATOM 1064 CD2 TYR A 476 59.551 5.072 5.809 1.00 0.00 C ATOM 1065 CE1 TYR A 476 60.398 5.670 3.208 1.00 0.00 C ATOM 1066 CE2 TYR A 476 60.867 4.794 5.420 1.00 0.00 C ATOM 1067 CZ TYR A 476 61.290 5.093 4.119 1.00 0.00 C ATOM 1068 OH TYR A 476 62.588 4.820 3.736 1.00 0.00 O ATOM 0 H TYR A 476 55.475 6.882 6.636 1.00 0.00 H new ATOM 0 HA TYR A 476 57.872 8.029 5.523 1.00 0.00 H new ATOM 0 HB2 TYR A 476 57.064 5.589 6.331 1.00 0.00 H new ATOM 0 HB3 TYR A 476 56.538 5.420 4.668 1.00 0.00 H new ATOM 0 HD1 TYR A 476 58.394 6.394 2.894 1.00 0.00 H new ATOM 0 HD2 TYR A 476 59.225 4.842 6.813 1.00 0.00 H new ATOM 0 HE1 TYR A 476 60.725 5.901 2.205 1.00 0.00 H new ATOM 0 HE2 TYR A 476 61.556 4.349 6.123 1.00 0.00 H new ATOM 0 HH TYR A 476 63.135 4.651 4.531 1.00 0.00 H new ATOM 1078 N TYR A 477 57.413 8.722 3.214 1.00 0.00 N ATOM 1079 CA TYR A 477 57.119 9.164 1.820 1.00 0.00 C ATOM 1080 C TYR A 477 58.208 8.664 0.867 1.00 0.00 C ATOM 1081 O TYR A 477 59.384 8.869 1.094 1.00 0.00 O ATOM 1082 CB TYR A 477 57.121 10.692 1.877 1.00 0.00 C ATOM 1083 CG TYR A 477 55.770 11.183 2.338 1.00 0.00 C ATOM 1084 CD1 TYR A 477 54.639 10.971 1.541 1.00 0.00 C ATOM 1085 CD2 TYR A 477 55.649 11.853 3.562 1.00 0.00 C ATOM 1086 CE1 TYR A 477 53.386 11.428 1.968 1.00 0.00 C ATOM 1087 CE2 TYR A 477 54.396 12.310 3.989 1.00 0.00 C ATOM 1088 CZ TYR A 477 53.265 12.097 3.192 1.00 0.00 C ATOM 1089 OH TYR A 477 52.029 12.548 3.612 1.00 0.00 O ATOM 0 H TYR A 477 58.248 9.133 3.632 1.00 0.00 H new ATOM 0 HA TYR A 477 56.170 8.771 1.455 1.00 0.00 H new ATOM 0 HB2 TYR A 477 57.897 11.040 2.558 1.00 0.00 H new ATOM 0 HB3 TYR A 477 57.352 11.102 0.894 1.00 0.00 H new ATOM 0 HD1 TYR A 477 54.733 10.455 0.597 1.00 0.00 H new ATOM 0 HD2 TYR A 477 56.522 12.017 4.176 1.00 0.00 H new ATOM 0 HE1 TYR A 477 52.513 11.264 1.353 1.00 0.00 H new ATOM 0 HE2 TYR A 477 54.302 12.827 4.933 1.00 0.00 H new ATOM 0 HH TYR A 477 52.120 12.989 4.482 1.00 0.00 H new ATOM 1099 N CYS A 478 57.825 8.011 -0.198 1.00 0.00 N ATOM 1100 CA CYS A 478 58.840 7.501 -1.165 1.00 0.00 C ATOM 1101 C CYS A 478 59.649 8.675 -1.740 1.00 0.00 C ATOM 1102 O CYS A 478 59.621 9.770 -1.213 1.00 0.00 O ATOM 1103 CB CYS A 478 58.024 6.780 -2.254 1.00 0.00 C ATOM 1104 SG CYS A 478 57.470 7.955 -3.516 1.00 0.00 S ATOM 0 H CYS A 478 56.855 7.809 -0.440 1.00 0.00 H new ATOM 0 HA CYS A 478 59.564 6.827 -0.707 1.00 0.00 H new ATOM 0 HB2 CYS A 478 58.631 6.001 -2.716 1.00 0.00 H new ATOM 0 HB3 CYS A 478 57.162 6.287 -1.804 1.00 0.00 H new ATOM 0 HG CYS A 478 56.202 7.782 -3.743 1.00 0.00 H new ATOM 1109 N ASN A 479 60.366 8.457 -2.810 1.00 0.00 N ATOM 1110 CA ASN A 479 61.171 9.564 -3.409 1.00 0.00 C ATOM 1111 C ASN A 479 60.358 10.308 -4.474 1.00 0.00 C ATOM 1112 O ASN A 479 60.470 11.508 -4.626 1.00 0.00 O ATOM 1113 CB ASN A 479 62.381 8.878 -4.042 1.00 0.00 C ATOM 1114 CG ASN A 479 63.591 9.815 -3.990 1.00 0.00 C ATOM 1115 OD1 ASN A 479 64.682 9.397 -3.656 1.00 0.00 O ATOM 1116 ND2 ASN A 479 63.443 11.072 -4.310 1.00 0.00 N ATOM 0 H ASN A 479 60.430 7.562 -3.295 1.00 0.00 H new ATOM 0 HA ASN A 479 61.463 10.305 -2.664 1.00 0.00 H new ATOM 0 HB2 ASN A 479 62.604 7.951 -3.513 1.00 0.00 H new ATOM 0 HB3 ASN A 479 62.160 8.610 -5.075 1.00 0.00 H new ATOM 0 HD21 ASN A 479 64.243 11.704 -4.280 1.00 0.00 H new ATOM 0 HD22 ASN A 479 62.527 11.422 -4.590 1.00 0.00 H new ATOM 1123 N GLU A 480 59.548 9.602 -5.219 1.00 0.00 N ATOM 1124 CA GLU A 480 58.735 10.266 -6.284 1.00 0.00 C ATOM 1125 C GLU A 480 57.524 10.996 -5.687 1.00 0.00 C ATOM 1126 O GLU A 480 56.737 11.585 -6.402 1.00 0.00 O ATOM 1127 CB GLU A 480 58.271 9.125 -7.190 1.00 0.00 C ATOM 1128 CG GLU A 480 57.912 9.679 -8.573 1.00 0.00 C ATOM 1129 CD GLU A 480 58.889 9.131 -9.616 1.00 0.00 C ATOM 1130 OE1 GLU A 480 58.828 7.944 -9.889 1.00 0.00 O ATOM 1131 OE2 GLU A 480 59.681 9.908 -10.123 1.00 0.00 O ATOM 0 H GLU A 480 59.413 8.594 -5.137 1.00 0.00 H new ATOM 0 HA GLU A 480 59.313 11.019 -6.820 1.00 0.00 H new ATOM 0 HB2 GLU A 480 59.058 8.376 -7.280 1.00 0.00 H new ATOM 0 HB3 GLU A 480 57.406 8.627 -6.751 1.00 0.00 H new ATOM 0 HG2 GLU A 480 56.891 9.399 -8.834 1.00 0.00 H new ATOM 0 HG3 GLU A 480 57.951 10.768 -8.561 1.00 0.00 H new ATOM 1138 N HIS A 481 57.364 10.968 -4.389 1.00 0.00 N ATOM 1139 CA HIS A 481 56.202 11.663 -3.767 1.00 0.00 C ATOM 1140 C HIS A 481 56.653 12.453 -2.534 1.00 0.00 C ATOM 1141 O HIS A 481 55.875 12.722 -1.640 1.00 0.00 O ATOM 1142 CB HIS A 481 55.240 10.545 -3.366 1.00 0.00 C ATOM 1143 CG HIS A 481 54.751 9.834 -4.599 1.00 0.00 C ATOM 1144 ND1 HIS A 481 54.718 8.436 -4.691 1.00 0.00 N ATOM 1145 CD2 HIS A 481 54.277 10.301 -5.804 1.00 0.00 C ATOM 1146 CE1 HIS A 481 54.242 8.118 -5.912 1.00 0.00 C ATOM 1147 NE2 HIS A 481 53.969 9.216 -6.600 1.00 0.00 N ATOM 0 H HIS A 481 57.988 10.494 -3.735 1.00 0.00 H new ATOM 0 HA HIS A 481 55.737 12.377 -4.447 1.00 0.00 H new ATOM 0 HB2 HIS A 481 55.741 9.841 -2.702 1.00 0.00 H new ATOM 0 HB3 HIS A 481 54.396 10.958 -2.813 1.00 0.00 H new ATOM 0 HD2 HIS A 481 54.165 11.339 -6.080 1.00 0.00 H new ATOM 0 HE1 HIS A 481 54.103 7.111 -6.277 1.00 0.00 H new ATOM 0 HE2 HIS A 481 53.597 9.253 -7.549 1.00 0.00 H new ATOM 1155 N VAL A 482 57.904 12.826 -2.483 1.00 0.00 N ATOM 1156 CA VAL A 482 58.408 13.597 -1.308 1.00 0.00 C ATOM 1157 C VAL A 482 58.418 15.093 -1.623 1.00 0.00 C ATOM 1158 O VAL A 482 58.289 15.927 -0.749 1.00 0.00 O ATOM 1159 CB VAL A 482 59.832 13.080 -1.075 1.00 0.00 C ATOM 1160 CG1 VAL A 482 60.752 13.536 -2.213 1.00 0.00 C ATOM 1161 CG2 VAL A 482 60.359 13.627 0.254 1.00 0.00 C ATOM 0 H VAL A 482 58.599 12.630 -3.204 1.00 0.00 H new ATOM 0 HA VAL A 482 57.781 13.466 -0.426 1.00 0.00 H new ATOM 0 HB VAL A 482 59.815 11.991 -1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 482 61.761 13.163 -2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 482 60.381 13.145 -3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 482 60.770 14.625 -2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 482 61.372 13.261 0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 482 60.368 14.716 0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 482 59.713 13.294 1.066 1.00 0.00 H new ATOM 1171 N GLN A 483 58.571 15.428 -2.869 1.00 0.00 N ATOM 1172 CA GLN A 483 58.594 16.867 -3.265 1.00 0.00 C ATOM 1173 C GLN A 483 57.299 17.248 -3.998 1.00 0.00 C ATOM 1174 O GLN A 483 57.135 18.370 -4.437 1.00 0.00 O ATOM 1175 CB GLN A 483 59.806 17.006 -4.193 1.00 0.00 C ATOM 1176 CG GLN A 483 59.585 16.193 -5.473 1.00 0.00 C ATOM 1177 CD GLN A 483 60.805 16.330 -6.386 1.00 0.00 C ATOM 1178 OE1 GLN A 483 61.269 15.358 -6.949 1.00 0.00 O ATOM 1179 NE2 GLN A 483 61.348 17.504 -6.559 1.00 0.00 N ATOM 0 H GLN A 483 58.682 14.767 -3.638 1.00 0.00 H new ATOM 0 HA GLN A 483 58.666 17.528 -2.401 1.00 0.00 H new ATOM 0 HB2 GLN A 483 59.965 18.055 -4.442 1.00 0.00 H new ATOM 0 HB3 GLN A 483 60.705 16.660 -3.684 1.00 0.00 H new ATOM 0 HG2 GLN A 483 59.419 15.144 -5.226 1.00 0.00 H new ATOM 0 HG3 GLN A 483 58.691 16.544 -5.989 1.00 0.00 H new ATOM 0 HE21 GLN A 483 60.959 18.320 -6.087 1.00 0.00 H new ATOM 0 HE22 GLN A 483 62.161 17.605 -7.166 1.00 0.00 H new