USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=25 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 177:sc= -1.91 USER MOD Set 1.2: A 452 HIS :FLIP no HD1:sc= -5.07! C(o=-12!,f=-9.3!) USER MOD Set 1.3: A 478 CYS SG : rot -116:sc= -1.59 USER MOD Set 1.4: A 481 HIS : no HD1:sc= -0.687! C(o=-9.3!,f=-22!) USER MOD Set 2.1: A 419 CYS SG : rot -133:sc= -0.177 USER MOD Set 2.2: A 420 CYS SG : rot -84:sc= -0.391 USER MOD Set 2.3: A 423 CYS SG : rot 122:sc= 0.332 USER MOD Set 2.4: A 455 HIS : no HD1:sc= -15! C(o=-19!,f=-23!) USER MOD Set 2.5: A 458 CYS SG : rot -143:sc= -2.22 USER MOD Set 2.6: A 459 MET CE :methyl 174:sc= -1.67! (180deg=-1.56!) USER MOD Single : A 415 TYR OH : rot 180:sc= 0 USER MOD Single : A 418 THR OG1 : rot 180:sc= 0.0654 USER MOD Single : A 422 THR OG1 : rot -55:sc= 0.676 USER MOD Single : A 428 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 429 THR OG1 : rot 180:sc= 0 USER MOD Single : A 434 TYR OH : rot 180:sc= -1.25 USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot 96:sc= 1.33 USER MOD Single : A 439 ASN : amide:sc=-0.00498 X(o=-0.005,f=-0.13) USER MOD Single : A 440 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 MET CE :methyl 160:sc= -2.7 (180deg=-4.79!) USER MOD Single : A 445 TYR OH : rot 180:sc= 0 USER MOD Single : A 447 SER OG : rot 142:sc= 0 USER MOD Single : A 448 HIS :FLIP no HD1:sc= -0.392 F(o=-1.4,f=-0.39) USER MOD Single : A 457 GLN : amide:sc= -0.0597 X(o=-0.06,f=0) USER MOD Single : A 465 THR OG1 : rot 180:sc= 0.0241 USER MOD Single : A 468 HIS :FLIP no HD1:sc= -0.989 F(o=-2.4!,f=-0.99) USER MOD Single : A 470 SER OG : rot -38:sc= 0.494 USER MOD Single : A 473 SER OG : rot 180:sc= 0 USER MOD Single : A 474 ASN : amide:sc= -0.0755 X(o=-0.076,f=-0.41) USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 476 TYR OH : rot 128:sc= -5.45! USER MOD Single : A 477 TYR OH : rot 180:sc= 0 USER MOD Single : A 479 ASN : amide:sc= -0.323 X(o=-0.32,f=0) USER MOD Single : A 483 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 117 N TYR A 415 61.936 -9.477 -2.483 1.00 0.00 N ATOM 118 CA TYR A 415 62.095 -7.994 -2.433 1.00 0.00 C ATOM 119 C TYR A 415 62.833 -7.486 -3.676 1.00 0.00 C ATOM 120 O TYR A 415 63.135 -6.314 -3.793 1.00 0.00 O ATOM 121 CB TYR A 415 62.922 -7.731 -1.176 1.00 0.00 C ATOM 122 CG TYR A 415 62.016 -7.248 -0.071 1.00 0.00 C ATOM 123 CD1 TYR A 415 61.232 -6.107 -0.265 1.00 0.00 C ATOM 124 CD2 TYR A 415 61.957 -7.941 1.144 1.00 0.00 C ATOM 125 CE1 TYR A 415 60.386 -5.656 0.755 1.00 0.00 C ATOM 126 CE2 TYR A 415 61.113 -7.490 2.166 1.00 0.00 C ATOM 127 CZ TYR A 415 60.327 -6.348 1.972 1.00 0.00 C ATOM 128 OH TYR A 415 59.493 -5.904 2.978 1.00 0.00 O ATOM 0 HA TYR A 415 61.134 -7.480 -2.410 1.00 0.00 H new ATOM 0 HB2 TYR A 415 63.435 -8.642 -0.868 1.00 0.00 H new ATOM 0 HB3 TYR A 415 63.691 -6.986 -1.382 1.00 0.00 H new ATOM 0 HD1 TYR A 415 61.279 -5.573 -1.203 1.00 0.00 H new ATOM 0 HD2 TYR A 415 62.562 -8.823 1.293 1.00 0.00 H new ATOM 0 HE1 TYR A 415 59.779 -4.775 0.604 1.00 0.00 H new ATOM 0 HE2 TYR A 415 61.068 -8.023 3.104 1.00 0.00 H new ATOM 0 HH TYR A 415 59.572 -6.498 3.754 1.00 0.00 H new ATOM 138 N TRP A 416 63.124 -8.356 -4.605 1.00 0.00 N ATOM 139 CA TRP A 416 63.840 -7.927 -5.843 1.00 0.00 C ATOM 140 C TRP A 416 62.836 -7.326 -6.832 1.00 0.00 C ATOM 141 O TRP A 416 62.680 -7.801 -7.940 1.00 0.00 O ATOM 142 CB TRP A 416 64.451 -9.215 -6.406 1.00 0.00 C ATOM 143 CG TRP A 416 65.213 -9.908 -5.322 1.00 0.00 C ATOM 144 CD1 TRP A 416 64.972 -11.162 -4.873 1.00 0.00 C ATOM 145 CD2 TRP A 416 66.324 -9.399 -4.538 1.00 0.00 C ATOM 146 NE1 TRP A 416 65.867 -11.452 -3.859 1.00 0.00 N ATOM 147 CE2 TRP A 416 66.724 -10.394 -3.617 1.00 0.00 C ATOM 148 CE3 TRP A 416 67.017 -8.179 -4.539 1.00 0.00 C ATOM 149 CZ2 TRP A 416 67.776 -10.182 -2.725 1.00 0.00 C ATOM 150 CZ3 TRP A 416 68.075 -7.963 -3.648 1.00 0.00 C ATOM 151 CH2 TRP A 416 68.456 -8.960 -2.742 1.00 0.00 C ATOM 0 H TRP A 416 62.896 -9.349 -4.561 1.00 0.00 H new ATOM 0 HA TRP A 416 64.599 -7.168 -5.654 1.00 0.00 H new ATOM 0 HB2 TRP A 416 63.667 -9.867 -6.790 1.00 0.00 H new ATOM 0 HB3 TRP A 416 65.112 -8.984 -7.242 1.00 0.00 H new ATOM 0 HD1 TRP A 416 64.207 -11.827 -5.245 1.00 0.00 H new ATOM 0 HE1 TRP A 416 65.892 -12.337 -3.352 1.00 0.00 H new ATOM 0 HE3 TRP A 416 66.732 -7.401 -5.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 68.063 -10.955 -2.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 68.601 -7.020 -3.660 1.00 0.00 H new ATOM 0 HH2 TRP A 416 69.273 -8.786 -2.058 1.00 0.00 H new ATOM 162 N ILE A 417 62.138 -6.295 -6.429 1.00 0.00 N ATOM 163 CA ILE A 417 61.124 -5.675 -7.336 1.00 0.00 C ATOM 164 C ILE A 417 61.527 -4.247 -7.716 1.00 0.00 C ATOM 165 O ILE A 417 62.673 -3.860 -7.602 1.00 0.00 O ATOM 166 CB ILE A 417 59.825 -5.666 -6.522 1.00 0.00 C ATOM 167 CG1 ILE A 417 59.990 -4.771 -5.286 1.00 0.00 C ATOM 168 CG2 ILE A 417 59.498 -7.091 -6.074 1.00 0.00 C ATOM 169 CD1 ILE A 417 58.911 -3.685 -5.291 1.00 0.00 C ATOM 0 H ILE A 417 62.226 -5.856 -5.513 1.00 0.00 H new ATOM 0 HA ILE A 417 61.025 -6.226 -8.272 1.00 0.00 H new ATOM 0 HB ILE A 417 59.016 -5.279 -7.141 1.00 0.00 H new ATOM 0 HG12 ILE A 417 59.914 -5.370 -4.378 1.00 0.00 H new ATOM 0 HG13 ILE A 417 60.980 -4.314 -5.285 1.00 0.00 H new ATOM 0 HG21 ILE A 417 58.575 -7.087 -5.495 1.00 0.00 H new ATOM 0 HG22 ILE A 417 59.375 -7.728 -6.950 1.00 0.00 H new ATOM 0 HG23 ILE A 417 60.311 -7.474 -5.458 1.00 0.00 H new ATOM 0 HD11 ILE A 417 59.029 -3.050 -4.413 1.00 0.00 H new ATOM 0 HD12 ILE A 417 59.008 -3.079 -6.192 1.00 0.00 H new ATOM 0 HD13 ILE A 417 57.926 -4.151 -5.272 1.00 0.00 H new ATOM 181 N THR A 418 60.583 -3.464 -8.171 1.00 0.00 N ATOM 182 CA THR A 418 60.893 -2.060 -8.565 1.00 0.00 C ATOM 183 C THR A 418 60.300 -1.078 -7.548 1.00 0.00 C ATOM 184 O THR A 418 59.147 -1.171 -7.177 1.00 0.00 O ATOM 185 CB THR A 418 60.236 -1.872 -9.935 1.00 0.00 C ATOM 186 OG1 THR A 418 59.126 -2.752 -10.061 1.00 0.00 O ATOM 187 CG2 THR A 418 61.256 -2.168 -11.037 1.00 0.00 C ATOM 0 H THR A 418 59.608 -3.739 -8.286 1.00 0.00 H new ATOM 0 HA THR A 418 61.966 -1.873 -8.599 1.00 0.00 H new ATOM 0 HB THR A 418 59.889 -0.843 -10.030 1.00 0.00 H new ATOM 0 HG1 THR A 418 58.708 -2.627 -10.938 1.00 0.00 H new ATOM 0 HG21 THR A 418 60.787 -2.034 -12.012 1.00 0.00 H new ATOM 0 HG22 THR A 418 62.101 -1.486 -10.944 1.00 0.00 H new ATOM 0 HG23 THR A 418 61.607 -3.195 -10.941 1.00 0.00 H new ATOM 195 N CYS A 419 61.089 -0.142 -7.097 1.00 0.00 N ATOM 196 CA CYS A 419 60.595 0.856 -6.103 1.00 0.00 C ATOM 197 C CYS A 419 60.617 2.262 -6.715 1.00 0.00 C ATOM 198 O CYS A 419 59.902 3.149 -6.291 1.00 0.00 O ATOM 199 CB CYS A 419 61.575 0.729 -4.927 1.00 0.00 C ATOM 200 SG CYS A 419 62.853 2.013 -5.000 1.00 0.00 S ATOM 0 H CYS A 419 62.063 -0.024 -7.376 1.00 0.00 H new ATOM 0 HA CYS A 419 59.566 0.683 -5.790 1.00 0.00 H new ATOM 0 HB2 CYS A 419 61.030 0.807 -3.986 1.00 0.00 H new ATOM 0 HB3 CYS A 419 62.043 -0.255 -4.944 1.00 0.00 H new ATOM 0 HG CYS A 419 64.021 1.473 -4.817 1.00 0.00 H new ATOM 205 N CYS A 420 61.441 2.465 -7.707 1.00 0.00 N ATOM 206 CA CYS A 420 61.533 3.801 -8.360 1.00 0.00 C ATOM 207 C CYS A 420 61.791 3.606 -9.855 1.00 0.00 C ATOM 208 O CYS A 420 62.015 2.495 -10.294 1.00 0.00 O ATOM 209 CB CYS A 420 62.723 4.489 -7.676 1.00 0.00 C ATOM 210 SG CYS A 420 64.184 3.418 -7.740 1.00 0.00 S ATOM 0 H CYS A 420 62.060 1.754 -8.096 1.00 0.00 H new ATOM 0 HA CYS A 420 60.624 4.395 -8.264 1.00 0.00 H new ATOM 0 HB2 CYS A 420 62.936 5.438 -8.168 1.00 0.00 H new ATOM 0 HB3 CYS A 420 62.475 4.717 -6.639 1.00 0.00 H new ATOM 0 HG CYS A 420 64.146 2.573 -6.753 1.00 0.00 H new ATOM 216 N PRO A 421 61.758 4.680 -10.604 1.00 0.00 N ATOM 217 CA PRO A 421 62.002 4.567 -12.061 1.00 0.00 C ATOM 218 C PRO A 421 63.449 4.139 -12.310 1.00 0.00 C ATOM 219 O PRO A 421 64.370 4.662 -11.719 1.00 0.00 O ATOM 220 CB PRO A 421 61.716 5.973 -12.587 1.00 0.00 C ATOM 221 CG PRO A 421 61.910 6.867 -11.408 1.00 0.00 C ATOM 222 CD PRO A 421 61.505 6.069 -10.195 1.00 0.00 C ATOM 0 HA PRO A 421 61.383 3.820 -12.558 1.00 0.00 H new ATOM 0 HB2 PRO A 421 62.393 6.237 -13.399 1.00 0.00 H new ATOM 0 HB3 PRO A 421 60.702 6.050 -12.979 1.00 0.00 H new ATOM 0 HG2 PRO A 421 62.949 7.189 -11.332 1.00 0.00 H new ATOM 0 HG3 PRO A 421 61.303 7.768 -11.500 1.00 0.00 H new ATOM 0 HD2 PRO A 421 62.092 6.344 -9.319 1.00 0.00 H new ATOM 0 HD3 PRO A 421 60.457 6.229 -9.940 1.00 0.00 H new ATOM 230 N THR A 422 63.643 3.172 -13.168 1.00 0.00 N ATOM 231 CA THR A 422 65.022 2.666 -13.463 1.00 0.00 C ATOM 232 C THR A 422 65.649 2.065 -12.198 1.00 0.00 C ATOM 233 O THR A 422 66.856 2.012 -12.061 1.00 0.00 O ATOM 234 CB THR A 422 65.842 3.872 -13.960 1.00 0.00 C ATOM 235 OG1 THR A 422 66.382 4.579 -12.852 1.00 0.00 O ATOM 236 CG2 THR A 422 64.958 4.812 -14.788 1.00 0.00 C ATOM 0 H THR A 422 62.898 2.704 -13.684 1.00 0.00 H new ATOM 0 HA THR A 422 65.000 1.879 -14.217 1.00 0.00 H new ATOM 0 HB THR A 422 66.655 3.506 -14.587 1.00 0.00 H new ATOM 0 HG1 THR A 422 65.659 4.828 -12.239 1.00 0.00 H new ATOM 0 HG21 THR A 422 65.551 5.659 -15.132 1.00 0.00 H new ATOM 0 HG22 THR A 422 64.560 4.274 -15.648 1.00 0.00 H new ATOM 0 HG23 THR A 422 64.134 5.172 -14.173 1.00 0.00 H new ATOM 244 N CYS A 423 64.840 1.602 -11.275 1.00 0.00 N ATOM 245 CA CYS A 423 65.396 0.994 -10.026 1.00 0.00 C ATOM 246 C CYS A 423 66.325 -0.171 -10.378 1.00 0.00 C ATOM 247 O CYS A 423 66.207 -0.771 -11.428 1.00 0.00 O ATOM 248 CB CYS A 423 64.175 0.491 -9.252 1.00 0.00 C ATOM 249 SG CYS A 423 64.685 -0.090 -7.613 1.00 0.00 S ATOM 0 H CYS A 423 63.822 1.619 -11.333 1.00 0.00 H new ATOM 0 HA CYS A 423 65.982 1.705 -9.444 1.00 0.00 H new ATOM 0 HB2 CYS A 423 63.441 1.291 -9.152 1.00 0.00 H new ATOM 0 HB3 CYS A 423 63.693 -0.318 -9.801 1.00 0.00 H new ATOM 0 HG CYS A 423 64.049 0.579 -6.698 1.00 0.00 H new ATOM 254 N ASP A 424 67.246 -0.494 -9.512 1.00 0.00 N ATOM 255 CA ASP A 424 68.182 -1.620 -9.805 1.00 0.00 C ATOM 256 C ASP A 424 68.424 -2.454 -8.543 1.00 0.00 C ATOM 257 O ASP A 424 69.545 -2.798 -8.223 1.00 0.00 O ATOM 258 CB ASP A 424 69.478 -0.949 -10.266 1.00 0.00 C ATOM 259 CG ASP A 424 69.631 -1.114 -11.779 1.00 0.00 C ATOM 260 OD1 ASP A 424 69.626 -2.246 -12.235 1.00 0.00 O ATOM 261 OD2 ASP A 424 69.752 -0.106 -12.456 1.00 0.00 O ATOM 0 H ASP A 424 67.392 -0.029 -8.616 1.00 0.00 H new ATOM 0 HA ASP A 424 67.786 -2.300 -10.559 1.00 0.00 H new ATOM 0 HB2 ASP A 424 69.464 0.109 -10.005 1.00 0.00 H new ATOM 0 HB3 ASP A 424 70.331 -1.393 -9.753 1.00 0.00 H new ATOM 266 N VAL A 425 67.382 -2.786 -7.827 1.00 0.00 N ATOM 267 CA VAL A 425 67.558 -3.604 -6.592 1.00 0.00 C ATOM 268 C VAL A 425 67.595 -5.091 -6.949 1.00 0.00 C ATOM 269 O VAL A 425 66.624 -5.656 -7.413 1.00 0.00 O ATOM 270 CB VAL A 425 66.345 -3.270 -5.715 1.00 0.00 C ATOM 271 CG1 VAL A 425 66.175 -4.330 -4.620 1.00 0.00 C ATOM 272 CG2 VAL A 425 66.566 -1.906 -5.061 1.00 0.00 C ATOM 0 H VAL A 425 66.420 -2.527 -8.043 1.00 0.00 H new ATOM 0 HA VAL A 425 68.493 -3.386 -6.075 1.00 0.00 H new ATOM 0 HB VAL A 425 65.448 -3.252 -6.335 1.00 0.00 H new ATOM 0 HG11 VAL A 425 65.311 -4.082 -4.004 1.00 0.00 H new ATOM 0 HG12 VAL A 425 66.024 -5.307 -5.079 1.00 0.00 H new ATOM 0 HG13 VAL A 425 67.069 -4.356 -3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 425 65.708 -1.659 -4.435 1.00 0.00 H new ATOM 0 HG22 VAL A 425 67.466 -1.938 -4.447 1.00 0.00 H new ATOM 0 HG23 VAL A 425 66.681 -1.146 -5.834 1.00 0.00 H new ATOM 282 N ASP A 426 68.714 -5.721 -6.733 1.00 0.00 N ATOM 283 CA ASP A 426 68.838 -7.171 -7.051 1.00 0.00 C ATOM 284 C ASP A 426 70.014 -7.768 -6.275 1.00 0.00 C ATOM 285 O ASP A 426 71.055 -7.156 -6.145 1.00 0.00 O ATOM 286 CB ASP A 426 69.102 -7.228 -8.556 1.00 0.00 C ATOM 287 CG ASP A 426 68.376 -8.433 -9.156 1.00 0.00 C ATOM 288 OD1 ASP A 426 68.891 -9.532 -9.032 1.00 0.00 O ATOM 289 OD2 ASP A 426 67.318 -8.236 -9.731 1.00 0.00 O ATOM 0 H ASP A 426 69.555 -5.291 -6.347 1.00 0.00 H new ATOM 0 HA ASP A 426 67.948 -7.737 -6.777 1.00 0.00 H new ATOM 0 HB2 ASP A 426 68.758 -6.309 -9.031 1.00 0.00 H new ATOM 0 HB3 ASP A 426 70.173 -7.304 -8.746 1.00 0.00 H new ATOM 294 N ILE A 427 69.854 -8.954 -5.750 1.00 0.00 N ATOM 295 CA ILE A 427 70.966 -9.579 -4.975 1.00 0.00 C ATOM 296 C ILE A 427 72.242 -9.639 -5.821 1.00 0.00 C ATOM 297 O ILE A 427 73.341 -9.579 -5.306 1.00 0.00 O ATOM 298 CB ILE A 427 70.474 -10.985 -4.626 1.00 0.00 C ATOM 299 CG1 ILE A 427 71.474 -11.648 -3.674 1.00 0.00 C ATOM 300 CG2 ILE A 427 70.340 -11.823 -5.901 1.00 0.00 C ATOM 301 CD1 ILE A 427 70.812 -11.879 -2.314 1.00 0.00 C ATOM 0 H ILE A 427 69.005 -9.515 -5.824 1.00 0.00 H new ATOM 0 HA ILE A 427 71.214 -9.007 -4.081 1.00 0.00 H new ATOM 0 HB ILE A 427 69.499 -10.918 -4.143 1.00 0.00 H new ATOM 0 HG12 ILE A 427 71.814 -12.596 -4.090 1.00 0.00 H new ATOM 0 HG13 ILE A 427 72.355 -11.017 -3.558 1.00 0.00 H new ATOM 0 HG21 ILE A 427 69.989 -12.823 -5.644 1.00 0.00 H new ATOM 0 HG22 ILE A 427 69.625 -11.349 -6.574 1.00 0.00 H new ATOM 0 HG23 ILE A 427 71.310 -11.894 -6.393 1.00 0.00 H new ATOM 0 HD11 ILE A 427 71.525 -12.351 -1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 427 70.494 -10.923 -1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 427 69.945 -12.528 -2.437 1.00 0.00 H new ATOM 313 N ASN A 428 72.103 -9.751 -7.118 1.00 0.00 N ATOM 314 CA ASN A 428 73.310 -9.804 -7.997 1.00 0.00 C ATOM 315 C ASN A 428 74.221 -8.610 -7.699 1.00 0.00 C ATOM 316 O ASN A 428 75.423 -8.671 -7.868 1.00 0.00 O ATOM 317 CB ASN A 428 72.767 -9.724 -9.426 1.00 0.00 C ATOM 318 CG ASN A 428 73.552 -10.682 -10.325 1.00 0.00 C ATOM 319 OD1 ASN A 428 74.592 -10.330 -10.845 1.00 0.00 O ATOM 320 ND2 ASN A 428 73.093 -11.886 -10.532 1.00 0.00 N ATOM 0 H ASN A 428 71.208 -9.808 -7.605 1.00 0.00 H new ATOM 0 HA ASN A 428 73.901 -10.707 -7.840 1.00 0.00 H new ATOM 0 HB2 ASN A 428 71.708 -9.982 -9.439 1.00 0.00 H new ATOM 0 HB3 ASN A 428 72.851 -8.704 -9.802 1.00 0.00 H new ATOM 0 HD21 ASN A 428 73.608 -12.532 -11.131 1.00 0.00 H new ATOM 0 HD22 ASN A 428 72.220 -12.181 -10.095 1.00 0.00 H new ATOM 327 N THR A 429 73.648 -7.527 -7.245 1.00 0.00 N ATOM 328 CA THR A 429 74.462 -6.323 -6.918 1.00 0.00 C ATOM 329 C THR A 429 73.999 -5.721 -5.585 1.00 0.00 C ATOM 330 O THR A 429 74.373 -4.621 -5.229 1.00 0.00 O ATOM 331 CB THR A 429 74.206 -5.346 -8.066 1.00 0.00 C ATOM 332 OG1 THR A 429 72.809 -5.118 -8.187 1.00 0.00 O ATOM 333 CG2 THR A 429 74.745 -5.936 -9.371 1.00 0.00 C ATOM 0 H THR A 429 72.646 -7.426 -7.086 1.00 0.00 H new ATOM 0 HA THR A 429 75.522 -6.556 -6.812 1.00 0.00 H new ATOM 0 HB THR A 429 74.712 -4.403 -7.862 1.00 0.00 H new ATOM 0 HG1 THR A 429 72.642 -4.491 -8.921 1.00 0.00 H new ATOM 0 HG21 THR A 429 74.562 -5.239 -10.189 1.00 0.00 H new ATOM 0 HG22 THR A 429 75.817 -6.111 -9.276 1.00 0.00 H new ATOM 0 HG23 THR A 429 74.241 -6.880 -9.579 1.00 0.00 H new ATOM 341 N TRP A 430 73.189 -6.437 -4.844 1.00 0.00 N ATOM 342 CA TRP A 430 72.705 -5.907 -3.537 1.00 0.00 C ATOM 343 C TRP A 430 73.299 -6.710 -2.381 1.00 0.00 C ATOM 344 O TRP A 430 73.833 -7.787 -2.568 1.00 0.00 O ATOM 345 CB TRP A 430 71.191 -6.093 -3.554 1.00 0.00 C ATOM 346 CG TRP A 430 70.598 -5.375 -2.398 1.00 0.00 C ATOM 347 CD1 TRP A 430 70.221 -4.076 -2.350 1.00 0.00 C ATOM 348 CD2 TRP A 430 70.321 -5.929 -1.110 1.00 0.00 C ATOM 349 NE1 TRP A 430 69.722 -3.811 -1.082 1.00 0.00 N ATOM 350 CE2 TRP A 430 69.767 -4.938 -0.279 1.00 0.00 C ATOM 351 CE3 TRP A 430 70.509 -7.204 -0.611 1.00 0.00 C ATOM 352 CZ2 TRP A 430 69.406 -5.220 1.040 1.00 0.00 C ATOM 353 CZ3 TRP A 430 70.152 -7.510 0.712 1.00 0.00 C ATOM 354 CH2 TRP A 430 69.600 -6.517 1.539 1.00 0.00 C ATOM 0 H TRP A 430 72.844 -7.365 -5.090 1.00 0.00 H new ATOM 0 HA TRP A 430 72.995 -4.865 -3.401 1.00 0.00 H new ATOM 0 HB2 TRP A 430 70.776 -5.711 -4.487 1.00 0.00 H new ATOM 0 HB3 TRP A 430 70.942 -7.153 -3.505 1.00 0.00 H new ATOM 0 HD1 TRP A 430 70.296 -3.366 -3.161 1.00 0.00 H new ATOM 0 HE1 TRP A 430 69.368 -2.903 -0.781 1.00 0.00 H new ATOM 0 HE3 TRP A 430 70.933 -7.970 -1.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 430 68.983 -4.450 1.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 430 70.302 -8.509 1.094 1.00 0.00 H new ATOM 0 HH2 TRP A 430 69.326 -6.752 2.557 1.00 0.00 H new ATOM 365 N VAL A 431 73.195 -6.198 -1.184 1.00 0.00 N ATOM 366 CA VAL A 431 73.736 -6.927 0.000 1.00 0.00 C ATOM 367 C VAL A 431 72.993 -6.489 1.269 1.00 0.00 C ATOM 368 O VAL A 431 72.352 -5.457 1.282 1.00 0.00 O ATOM 369 CB VAL A 431 75.211 -6.529 0.091 1.00 0.00 C ATOM 370 CG1 VAL A 431 75.971 -7.066 -1.123 1.00 0.00 C ATOM 371 CG2 VAL A 431 75.332 -5.003 0.134 1.00 0.00 C ATOM 0 H VAL A 431 72.756 -5.301 -0.974 1.00 0.00 H new ATOM 0 HA VAL A 431 73.614 -8.006 -0.097 1.00 0.00 H new ATOM 0 HB VAL A 431 75.638 -6.953 1.000 1.00 0.00 H new ATOM 0 HG11 VAL A 431 77.020 -6.779 -1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 431 75.893 -8.153 -1.149 1.00 0.00 H new ATOM 0 HG13 VAL A 431 75.542 -6.649 -2.034 1.00 0.00 H new ATOM 0 HG21 VAL A 431 76.383 -4.723 0.199 1.00 0.00 H new ATOM 0 HG22 VAL A 431 74.898 -4.578 -0.771 1.00 0.00 H new ATOM 0 HG23 VAL A 431 74.800 -4.620 1.005 1.00 0.00 H new ATOM 381 N PRO A 432 73.107 -7.288 2.301 1.00 0.00 N ATOM 382 CA PRO A 432 72.435 -6.964 3.584 1.00 0.00 C ATOM 383 C PRO A 432 73.158 -5.808 4.282 1.00 0.00 C ATOM 384 O PRO A 432 74.219 -5.979 4.848 1.00 0.00 O ATOM 385 CB PRO A 432 72.563 -8.253 4.392 1.00 0.00 C ATOM 386 CG PRO A 432 73.757 -8.951 3.822 1.00 0.00 C ATOM 387 CD PRO A 432 73.856 -8.549 2.373 1.00 0.00 C ATOM 0 HA PRO A 432 71.399 -6.648 3.460 1.00 0.00 H new ATOM 0 HB2 PRO A 432 72.698 -8.042 5.453 1.00 0.00 H new ATOM 0 HB3 PRO A 432 71.667 -8.866 4.301 1.00 0.00 H new ATOM 0 HG2 PRO A 432 74.661 -8.670 4.362 1.00 0.00 H new ATOM 0 HG3 PRO A 432 73.652 -10.032 3.915 1.00 0.00 H new ATOM 0 HD2 PRO A 432 74.893 -8.415 2.066 1.00 0.00 H new ATOM 0 HD3 PRO A 432 73.425 -9.307 1.718 1.00 0.00 H new ATOM 395 N PHE A 433 72.589 -4.632 4.245 1.00 0.00 N ATOM 396 CA PHE A 433 73.242 -3.462 4.903 1.00 0.00 C ATOM 397 C PHE A 433 72.505 -3.096 6.193 1.00 0.00 C ATOM 398 O PHE A 433 73.083 -2.562 7.119 1.00 0.00 O ATOM 399 CB PHE A 433 73.134 -2.326 3.885 1.00 0.00 C ATOM 400 CG PHE A 433 74.368 -1.460 3.962 1.00 0.00 C ATOM 401 CD1 PHE A 433 75.498 -1.783 3.201 1.00 0.00 C ATOM 402 CD2 PHE A 433 74.382 -0.334 4.794 1.00 0.00 C ATOM 403 CE1 PHE A 433 76.642 -0.979 3.272 1.00 0.00 C ATOM 404 CE2 PHE A 433 75.527 0.469 4.866 1.00 0.00 C ATOM 405 CZ PHE A 433 76.657 0.146 4.105 1.00 0.00 C ATOM 0 H PHE A 433 71.700 -4.431 3.787 1.00 0.00 H new ATOM 0 HA PHE A 433 74.276 -3.669 5.178 1.00 0.00 H new ATOM 0 HB2 PHE A 433 73.025 -2.734 2.880 1.00 0.00 H new ATOM 0 HB3 PHE A 433 72.245 -1.728 4.085 1.00 0.00 H new ATOM 0 HD1 PHE A 433 75.487 -2.652 2.560 1.00 0.00 H new ATOM 0 HD2 PHE A 433 73.510 -0.085 5.380 1.00 0.00 H new ATOM 0 HE1 PHE A 433 77.513 -1.227 2.684 1.00 0.00 H new ATOM 0 HE2 PHE A 433 75.538 1.337 5.508 1.00 0.00 H new ATOM 0 HZ PHE A 433 77.540 0.765 4.161 1.00 0.00 H new ATOM 415 N TYR A 434 71.230 -3.375 6.257 1.00 0.00 N ATOM 416 CA TYR A 434 70.452 -3.040 7.487 1.00 0.00 C ATOM 417 C TYR A 434 70.739 -4.066 8.588 1.00 0.00 C ATOM 418 O TYR A 434 71.298 -5.115 8.339 1.00 0.00 O ATOM 419 CB TYR A 434 68.980 -3.102 7.066 1.00 0.00 C ATOM 420 CG TYR A 434 68.773 -2.293 5.805 1.00 0.00 C ATOM 421 CD1 TYR A 434 69.053 -0.921 5.797 1.00 0.00 C ATOM 422 CD2 TYR A 434 68.306 -2.918 4.643 1.00 0.00 C ATOM 423 CE1 TYR A 434 68.865 -0.175 4.627 1.00 0.00 C ATOM 424 CE2 TYR A 434 68.117 -2.172 3.474 1.00 0.00 C ATOM 425 CZ TYR A 434 68.396 -0.801 3.467 1.00 0.00 C ATOM 426 OH TYR A 434 68.210 -0.068 2.313 1.00 0.00 O ATOM 0 H TYR A 434 70.694 -3.820 5.512 1.00 0.00 H new ATOM 0 HA TYR A 434 70.717 -2.060 7.885 1.00 0.00 H new ATOM 0 HB2 TYR A 434 68.684 -4.137 6.897 1.00 0.00 H new ATOM 0 HB3 TYR A 434 68.347 -2.715 7.865 1.00 0.00 H new ATOM 0 HD1 TYR A 434 69.414 -0.438 6.693 1.00 0.00 H new ATOM 0 HD2 TYR A 434 68.091 -3.976 4.648 1.00 0.00 H new ATOM 0 HE1 TYR A 434 69.082 0.883 4.620 1.00 0.00 H new ATOM 0 HE2 TYR A 434 67.756 -2.654 2.578 1.00 0.00 H new ATOM 0 HH TYR A 434 67.881 -0.656 1.601 1.00 0.00 H new ATOM 436 N SER A 435 70.361 -3.767 9.803 1.00 0.00 N ATOM 437 CA SER A 435 70.614 -4.722 10.922 1.00 0.00 C ATOM 438 C SER A 435 69.394 -5.622 11.152 1.00 0.00 C ATOM 439 O SER A 435 69.470 -6.613 11.849 1.00 0.00 O ATOM 440 CB SER A 435 70.863 -3.838 12.144 1.00 0.00 C ATOM 441 OG SER A 435 70.849 -4.642 13.316 1.00 0.00 O ATOM 0 H SER A 435 69.888 -2.903 10.069 1.00 0.00 H new ATOM 0 HA SER A 435 71.455 -5.383 10.713 1.00 0.00 H new ATOM 0 HB2 SER A 435 71.822 -3.329 12.050 1.00 0.00 H new ATOM 0 HB3 SER A 435 70.097 -3.065 12.210 1.00 0.00 H new ATOM 0 HG SER A 435 71.010 -4.078 14.101 1.00 0.00 H new ATOM 447 N THR A 436 68.269 -5.284 10.575 1.00 0.00 N ATOM 448 CA THR A 436 67.050 -6.122 10.769 1.00 0.00 C ATOM 449 C THR A 436 66.854 -7.067 9.579 1.00 0.00 C ATOM 450 O THR A 436 66.302 -8.141 9.713 1.00 0.00 O ATOM 451 CB THR A 436 65.893 -5.125 10.858 1.00 0.00 C ATOM 452 OG1 THR A 436 66.070 -4.108 9.881 1.00 0.00 O ATOM 453 CG2 THR A 436 65.865 -4.497 12.252 1.00 0.00 C ATOM 0 H THR A 436 68.143 -4.466 9.979 1.00 0.00 H new ATOM 0 HA THR A 436 67.120 -6.748 11.659 1.00 0.00 H new ATOM 0 HB THR A 436 64.951 -5.643 10.677 1.00 0.00 H new ATOM 0 HG1 THR A 436 65.556 -4.333 9.078 1.00 0.00 H new ATOM 0 HG21 THR A 436 65.040 -3.787 12.315 1.00 0.00 H new ATOM 0 HG22 THR A 436 65.729 -5.278 13.000 1.00 0.00 H new ATOM 0 HG23 THR A 436 66.806 -3.978 12.436 1.00 0.00 H new ATOM 461 N GLU A 437 67.301 -6.674 8.416 1.00 0.00 N ATOM 462 CA GLU A 437 67.138 -7.549 7.218 1.00 0.00 C ATOM 463 C GLU A 437 68.308 -8.532 7.115 1.00 0.00 C ATOM 464 O GLU A 437 69.458 -8.155 7.230 1.00 0.00 O ATOM 465 CB GLU A 437 67.132 -6.594 6.024 1.00 0.00 C ATOM 466 CG GLU A 437 65.689 -6.242 5.658 1.00 0.00 C ATOM 467 CD GLU A 437 65.050 -5.450 6.801 1.00 0.00 C ATOM 468 OE1 GLU A 437 65.727 -4.602 7.359 1.00 0.00 O ATOM 469 OE2 GLU A 437 63.894 -5.705 7.097 1.00 0.00 O ATOM 0 H GLU A 437 67.772 -5.786 8.244 1.00 0.00 H new ATOM 0 HA GLU A 437 66.227 -8.145 7.266 1.00 0.00 H new ATOM 0 HB2 GLU A 437 67.688 -5.688 6.267 1.00 0.00 H new ATOM 0 HB3 GLU A 437 67.632 -7.056 5.173 1.00 0.00 H new ATOM 0 HG2 GLU A 437 65.669 -5.656 4.739 1.00 0.00 H new ATOM 0 HG3 GLU A 437 65.119 -7.151 5.468 1.00 0.00 H new ATOM 476 N LEU A 438 68.021 -9.788 6.899 1.00 0.00 N ATOM 477 CA LEU A 438 69.114 -10.798 6.787 1.00 0.00 C ATOM 478 C LEU A 438 69.717 -10.769 5.379 1.00 0.00 C ATOM 479 O LEU A 438 70.920 -10.755 5.210 1.00 0.00 O ATOM 480 CB LEU A 438 68.438 -12.148 7.056 1.00 0.00 C ATOM 481 CG LEU A 438 69.091 -12.829 8.264 1.00 0.00 C ATOM 482 CD1 LEU A 438 70.577 -13.064 7.983 1.00 0.00 C ATOM 483 CD2 LEU A 438 68.941 -11.937 9.500 1.00 0.00 C ATOM 0 H LEU A 438 67.076 -10.159 6.795 1.00 0.00 H new ATOM 0 HA LEU A 438 69.928 -10.605 7.485 1.00 0.00 H new ATOM 0 HB2 LEU A 438 67.374 -12.001 7.242 1.00 0.00 H new ATOM 0 HB3 LEU A 438 68.522 -12.788 6.178 1.00 0.00 H new ATOM 0 HG LEU A 438 68.601 -13.786 8.445 1.00 0.00 H new ATOM 0 HD11 LEU A 438 71.038 -13.548 8.844 1.00 0.00 H new ATOM 0 HD12 LEU A 438 70.685 -13.703 7.106 1.00 0.00 H new ATOM 0 HD13 LEU A 438 71.068 -12.108 7.798 1.00 0.00 H new ATOM 0 HD21 LEU A 438 69.406 -12.423 10.358 1.00 0.00 H new ATOM 0 HD22 LEU A 438 69.427 -10.979 9.318 1.00 0.00 H new ATOM 0 HD23 LEU A 438 67.883 -11.774 9.705 1.00 0.00 H new ATOM 495 N ASN A 439 68.887 -10.759 4.370 1.00 0.00 N ATOM 496 CA ASN A 439 69.409 -10.732 2.972 1.00 0.00 C ATOM 497 C ASN A 439 68.373 -10.106 2.034 1.00 0.00 C ATOM 498 O ASN A 439 68.078 -10.633 0.979 1.00 0.00 O ATOM 499 CB ASN A 439 69.646 -12.199 2.609 1.00 0.00 C ATOM 500 CG ASN A 439 71.141 -12.513 2.695 1.00 0.00 C ATOM 501 OD1 ASN A 439 71.946 -11.878 2.042 1.00 0.00 O ATOM 502 ND2 ASN A 439 71.549 -13.473 3.478 1.00 0.00 N ATOM 0 H ASN A 439 67.870 -10.768 4.453 1.00 0.00 H new ATOM 0 HA ASN A 439 70.319 -10.139 2.881 1.00 0.00 H new ATOM 0 HB2 ASN A 439 69.088 -12.846 3.286 1.00 0.00 H new ATOM 0 HB3 ASN A 439 69.279 -12.399 1.602 1.00 0.00 H new ATOM 0 HD21 ASN A 439 72.543 -13.691 3.542 1.00 0.00 H new ATOM 0 HD22 ASN A 439 70.874 -14.006 4.026 1.00 0.00 H new ATOM 509 N LYS A 440 67.819 -8.984 2.412 1.00 0.00 N ATOM 510 CA LYS A 440 66.801 -8.324 1.543 1.00 0.00 C ATOM 511 C LYS A 440 66.665 -6.841 1.915 1.00 0.00 C ATOM 512 O LYS A 440 66.894 -6.466 3.047 1.00 0.00 O ATOM 513 CB LYS A 440 65.494 -9.072 1.818 1.00 0.00 C ATOM 514 CG LYS A 440 65.156 -8.995 3.313 1.00 0.00 C ATOM 515 CD LYS A 440 65.157 -10.403 3.914 1.00 0.00 C ATOM 516 CE LYS A 440 63.763 -11.020 3.771 1.00 0.00 C ATOM 517 NZ LYS A 440 64.008 -12.438 3.387 1.00 0.00 N ATOM 0 H LYS A 440 68.027 -8.497 3.284 1.00 0.00 H new ATOM 0 HA LYS A 440 67.074 -8.361 0.488 1.00 0.00 H new ATOM 0 HB2 LYS A 440 64.685 -8.638 1.230 1.00 0.00 H new ATOM 0 HB3 LYS A 440 65.589 -10.113 1.510 1.00 0.00 H new ATOM 0 HG2 LYS A 440 65.884 -8.368 3.829 1.00 0.00 H new ATOM 0 HG3 LYS A 440 64.180 -8.530 3.452 1.00 0.00 H new ATOM 0 HD2 LYS A 440 65.895 -11.025 3.408 1.00 0.00 H new ATOM 0 HD3 LYS A 440 65.442 -10.361 4.965 1.00 0.00 H new ATOM 0 HE2 LYS A 440 63.205 -10.955 4.705 1.00 0.00 H new ATOM 0 HE3 LYS A 440 63.177 -10.501 3.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 63.098 -12.928 3.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 64.535 -12.469 2.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 64.562 -12.908 4.131 1.00 0.00 H new ATOM 531 N PRO A 441 66.291 -6.046 0.944 1.00 0.00 N ATOM 532 CA PRO A 441 66.120 -4.589 1.177 1.00 0.00 C ATOM 533 C PRO A 441 64.910 -4.321 2.076 1.00 0.00 C ATOM 534 O PRO A 441 63.933 -5.045 2.049 1.00 0.00 O ATOM 535 CB PRO A 441 65.888 -4.023 -0.222 1.00 0.00 C ATOM 536 CG PRO A 441 65.355 -5.174 -1.012 1.00 0.00 C ATOM 537 CD PRO A 441 65.993 -6.415 -0.445 1.00 0.00 C ATOM 0 HA PRO A 441 66.976 -4.139 1.680 1.00 0.00 H new ATOM 0 HB2 PRO A 441 65.180 -3.195 -0.202 1.00 0.00 H new ATOM 0 HB3 PRO A 441 66.813 -3.641 -0.653 1.00 0.00 H new ATOM 0 HG2 PRO A 441 64.269 -5.227 -0.936 1.00 0.00 H new ATOM 0 HG3 PRO A 441 65.595 -5.063 -2.069 1.00 0.00 H new ATOM 0 HD2 PRO A 441 65.320 -7.271 -0.497 1.00 0.00 H new ATOM 0 HD3 PRO A 441 66.897 -6.686 -0.991 1.00 0.00 H new ATOM 545 N ALA A 442 64.967 -3.282 2.862 1.00 0.00 N ATOM 546 CA ALA A 442 63.820 -2.955 3.758 1.00 0.00 C ATOM 547 C ALA A 442 62.948 -1.878 3.109 1.00 0.00 C ATOM 548 O ALA A 442 63.081 -0.704 3.393 1.00 0.00 O ATOM 549 CB ALA A 442 64.459 -2.428 5.043 1.00 0.00 C ATOM 0 H ALA A 442 65.760 -2.643 2.923 1.00 0.00 H new ATOM 0 HA ALA A 442 63.179 -3.816 3.949 1.00 0.00 H new ATOM 0 HB1 ALA A 442 63.678 -2.164 5.756 1.00 0.00 H new ATOM 0 HB2 ALA A 442 65.099 -3.198 5.474 1.00 0.00 H new ATOM 0 HB3 ALA A 442 65.057 -1.545 4.817 1.00 0.00 H new ATOM 555 N MET A 443 62.060 -2.270 2.235 1.00 0.00 N ATOM 556 CA MET A 443 61.182 -1.269 1.558 1.00 0.00 C ATOM 557 C MET A 443 60.402 -0.451 2.591 1.00 0.00 C ATOM 558 O MET A 443 60.349 -0.792 3.757 1.00 0.00 O ATOM 559 CB MET A 443 60.227 -2.094 0.692 1.00 0.00 C ATOM 560 CG MET A 443 60.974 -2.611 -0.541 1.00 0.00 C ATOM 561 SD MET A 443 59.895 -2.520 -1.993 1.00 0.00 S ATOM 562 CE MET A 443 58.910 -3.997 -1.647 1.00 0.00 C ATOM 0 H MET A 443 61.904 -3.240 1.960 1.00 0.00 H new ATOM 0 HA MET A 443 61.757 -0.557 0.965 1.00 0.00 H new ATOM 0 HB2 MET A 443 59.829 -2.930 1.266 1.00 0.00 H new ATOM 0 HB3 MET A 443 59.377 -1.484 0.386 1.00 0.00 H new ATOM 0 HG2 MET A 443 61.874 -2.019 -0.707 1.00 0.00 H new ATOM 0 HG3 MET A 443 61.295 -3.640 -0.379 1.00 0.00 H new ATOM 0 HE1 MET A 443 57.972 -3.947 -2.200 1.00 0.00 H new ATOM 0 HE2 MET A 443 59.465 -4.884 -1.953 1.00 0.00 H new ATOM 0 HE3 MET A 443 58.699 -4.052 -0.579 1.00 0.00 H new ATOM 572 N ILE A 444 59.799 0.628 2.168 1.00 0.00 N ATOM 573 CA ILE A 444 59.023 1.479 3.107 1.00 0.00 C ATOM 574 C ILE A 444 57.625 1.741 2.541 1.00 0.00 C ATOM 575 O ILE A 444 57.394 1.606 1.354 1.00 0.00 O ATOM 576 CB ILE A 444 59.815 2.782 3.201 1.00 0.00 C ATOM 577 CG1 ILE A 444 60.035 3.355 1.796 1.00 0.00 C ATOM 578 CG2 ILE A 444 61.170 2.512 3.857 1.00 0.00 C ATOM 579 CD1 ILE A 444 59.961 4.882 1.849 1.00 0.00 C ATOM 0 H ILE A 444 59.813 0.956 1.202 1.00 0.00 H new ATOM 0 HA ILE A 444 58.891 1.011 4.082 1.00 0.00 H new ATOM 0 HB ILE A 444 59.256 3.499 3.802 1.00 0.00 H new ATOM 0 HG12 ILE A 444 61.005 3.041 1.412 1.00 0.00 H new ATOM 0 HG13 ILE A 444 59.280 2.967 1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 444 61.734 3.442 3.923 1.00 0.00 H new ATOM 0 HG22 ILE A 444 61.016 2.109 4.858 1.00 0.00 H new ATOM 0 HG23 ILE A 444 61.727 1.792 3.258 1.00 0.00 H new ATOM 0 HD11 ILE A 444 60.117 5.289 0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 444 58.980 5.186 2.215 1.00 0.00 H new ATOM 0 HD13 ILE A 444 60.732 5.261 2.520 1.00 0.00 H new ATOM 591 N TYR A 445 56.695 2.111 3.380 1.00 0.00 N ATOM 592 CA TYR A 445 55.310 2.381 2.896 1.00 0.00 C ATOM 593 C TYR A 445 55.116 3.879 2.640 1.00 0.00 C ATOM 594 O TYR A 445 55.158 4.683 3.551 1.00 0.00 O ATOM 595 CB TYR A 445 54.399 1.910 4.030 1.00 0.00 C ATOM 596 CG TYR A 445 52.971 1.853 3.542 1.00 0.00 C ATOM 597 CD1 TYR A 445 52.178 3.005 3.563 1.00 0.00 C ATOM 598 CD2 TYR A 445 52.441 0.646 3.069 1.00 0.00 C ATOM 599 CE1 TYR A 445 50.853 2.952 3.111 1.00 0.00 C ATOM 600 CE2 TYR A 445 51.117 0.593 2.618 1.00 0.00 C ATOM 601 CZ TYR A 445 50.323 1.746 2.639 1.00 0.00 C ATOM 602 OH TYR A 445 49.018 1.693 2.195 1.00 0.00 O ATOM 0 H TYR A 445 56.835 2.238 4.382 1.00 0.00 H new ATOM 0 HA TYR A 445 55.095 1.871 1.957 1.00 0.00 H new ATOM 0 HB2 TYR A 445 54.714 0.927 4.379 1.00 0.00 H new ATOM 0 HB3 TYR A 445 54.477 2.589 4.879 1.00 0.00 H new ATOM 0 HD1 TYR A 445 52.587 3.936 3.928 1.00 0.00 H new ATOM 0 HD2 TYR A 445 53.054 -0.243 3.052 1.00 0.00 H new ATOM 0 HE1 TYR A 445 50.241 3.842 3.127 1.00 0.00 H new ATOM 0 HE2 TYR A 445 50.708 -0.338 2.254 1.00 0.00 H new ATOM 0 HH TYR A 445 48.809 0.782 1.901 1.00 0.00 H new ATOM 612 N CYS A 446 54.901 4.260 1.407 1.00 0.00 N ATOM 613 CA CYS A 446 54.701 5.709 1.097 1.00 0.00 C ATOM 614 C CYS A 446 53.402 6.209 1.737 1.00 0.00 C ATOM 615 O CYS A 446 52.553 5.432 2.124 1.00 0.00 O ATOM 616 CB CYS A 446 54.612 5.787 -0.428 1.00 0.00 C ATOM 617 SG CYS A 446 54.716 7.518 -0.954 1.00 0.00 S ATOM 0 H CYS A 446 54.855 3.633 0.603 1.00 0.00 H new ATOM 0 HA CYS A 446 55.509 6.328 1.486 1.00 0.00 H new ATOM 0 HB2 CYS A 446 55.419 5.210 -0.880 1.00 0.00 H new ATOM 0 HB3 CYS A 446 53.675 5.348 -0.771 1.00 0.00 H new ATOM 0 HG CYS A 446 54.704 7.578 -2.253 1.00 0.00 H new ATOM 622 N SER A 447 53.243 7.502 1.851 1.00 0.00 N ATOM 623 CA SER A 447 51.999 8.050 2.468 1.00 0.00 C ATOM 624 C SER A 447 51.238 8.920 1.462 1.00 0.00 C ATOM 625 O SER A 447 50.423 9.742 1.834 1.00 0.00 O ATOM 626 CB SER A 447 52.482 8.892 3.647 1.00 0.00 C ATOM 627 OG SER A 447 52.322 8.151 4.850 1.00 0.00 O ATOM 0 H SER A 447 53.920 8.201 1.544 1.00 0.00 H new ATOM 0 HA SER A 447 51.314 7.261 2.780 1.00 0.00 H new ATOM 0 HB2 SER A 447 53.529 9.164 3.510 1.00 0.00 H new ATOM 0 HB3 SER A 447 51.916 9.822 3.701 1.00 0.00 H new ATOM 0 HG SER A 447 53.085 8.319 5.442 1.00 0.00 H new ATOM 633 N HIS A 448 51.493 8.746 0.191 1.00 0.00 N ATOM 634 CA HIS A 448 50.781 9.563 -0.834 1.00 0.00 C ATOM 635 C HIS A 448 49.591 8.778 -1.396 1.00 0.00 C ATOM 636 O HIS A 448 49.721 8.037 -2.350 1.00 0.00 O ATOM 637 CB HIS A 448 51.818 9.822 -1.928 1.00 0.00 C ATOM 638 CG HIS A 448 51.226 10.718 -2.980 1.00 0.00 C ATOM 639 ND1 HIS A 448 50.136 10.574 -3.801 1.00 0.00 N flip ATOM 640 CD2 HIS A 448 51.773 11.954 -3.289 1.00 0.00 C flip ATOM 641 CE1 HIS A 448 50.006 11.700 -4.610 1.00 0.00 C flip ATOM 642 NE2 HIS A 448 51.017 12.500 -4.260 1.00 0.00 N flip ATOM 0 H HIS A 448 52.164 8.073 -0.180 1.00 0.00 H new ATOM 0 HA HIS A 448 50.386 10.492 -0.422 1.00 0.00 H new ATOM 0 HB2 HIS A 448 52.706 10.285 -1.499 1.00 0.00 H new ATOM 0 HB3 HIS A 448 52.134 8.879 -2.374 1.00 0.00 H new ATOM 0 HD2 HIS A 448 52.646 12.398 -2.834 1.00 0.00 H new ATOM 0 HE1 HIS A 448 49.251 11.886 -5.359 1.00 0.00 H new ATOM 0 HE2 HIS A 448 51.195 13.413 -4.678 1.00 0.00 H new ATOM 650 N GLY A 449 48.434 8.935 -0.807 1.00 0.00 N ATOM 651 CA GLY A 449 47.237 8.195 -1.303 1.00 0.00 C ATOM 652 C GLY A 449 47.490 6.691 -1.192 1.00 0.00 C ATOM 653 O GLY A 449 47.693 6.166 -0.114 1.00 0.00 O ATOM 0 H GLY A 449 48.267 9.543 -0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 449 46.358 8.471 -0.721 1.00 0.00 H new ATOM 0 HA3 GLY A 449 47.032 8.465 -2.339 1.00 0.00 H new ATOM 657 N ASP A 450 47.487 5.994 -2.296 1.00 0.00 N ATOM 658 CA ASP A 450 47.736 4.523 -2.251 1.00 0.00 C ATOM 659 C ASP A 450 49.200 4.256 -1.894 1.00 0.00 C ATOM 660 O ASP A 450 50.023 4.012 -2.755 1.00 0.00 O ATOM 661 CB ASP A 450 47.425 4.022 -3.661 1.00 0.00 C ATOM 662 CG ASP A 450 45.914 4.069 -3.899 1.00 0.00 C ATOM 663 OD1 ASP A 450 45.206 3.331 -3.233 1.00 0.00 O ATOM 664 OD2 ASP A 450 45.490 4.841 -4.742 1.00 0.00 O ATOM 0 H ASP A 450 47.323 6.378 -3.227 1.00 0.00 H new ATOM 0 HA ASP A 450 47.125 4.020 -1.502 1.00 0.00 H new ATOM 0 HB2 ASP A 450 47.939 4.638 -4.399 1.00 0.00 H new ATOM 0 HB3 ASP A 450 47.792 3.003 -3.785 1.00 0.00 H new ATOM 669 N GLY A 451 49.530 4.307 -0.631 1.00 0.00 N ATOM 670 CA GLY A 451 50.942 4.063 -0.210 1.00 0.00 C ATOM 671 C GLY A 451 51.431 2.728 -0.773 1.00 0.00 C ATOM 672 O GLY A 451 50.691 1.767 -0.852 1.00 0.00 O ATOM 0 H GLY A 451 48.881 4.508 0.130 1.00 0.00 H new ATOM 0 HA2 GLY A 451 51.581 4.872 -0.564 1.00 0.00 H new ATOM 0 HA3 GLY A 451 51.010 4.055 0.878 1.00 0.00 H new ATOM 676 N HIS A 452 52.678 2.658 -1.156 1.00 0.00 N ATOM 677 CA HIS A 452 53.224 1.382 -1.703 1.00 0.00 C ATOM 678 C HIS A 452 54.522 1.016 -0.993 1.00 0.00 C ATOM 679 O HIS A 452 55.019 1.749 -0.160 1.00 0.00 O ATOM 680 CB HIS A 452 53.471 1.602 -3.202 1.00 0.00 C ATOM 681 CG HIS A 452 54.261 2.865 -3.449 1.00 0.00 C ATOM 682 ND1 HIS A 452 54.061 4.171 -3.074 1.00 0.00 N flip ATOM 683 CD2 HIS A 452 55.431 2.865 -4.196 1.00 0.00 C flip ATOM 684 CE1 HIS A 452 55.085 4.964 -3.571 1.00 0.00 C flip ATOM 685 NE2 HIS A 452 55.883 4.133 -4.241 1.00 0.00 N flip ATOM 0 H HIS A 452 53.343 3.430 -1.114 1.00 0.00 H new ATOM 0 HA HIS A 452 52.524 0.561 -1.547 1.00 0.00 H new ATOM 0 HB2 HIS A 452 54.009 0.748 -3.613 1.00 0.00 H new ATOM 0 HB3 HIS A 452 52.517 1.659 -3.725 1.00 0.00 H new ATOM 0 HD2 HIS A 452 55.894 2.005 -4.657 1.00 0.00 H new ATOM 0 HE1 HIS A 452 55.209 6.029 -3.442 1.00 0.00 H new ATOM 0 HE2 HIS A 452 56.732 4.422 -4.728 1.00 0.00 H new ATOM 693 N TRP A 453 55.064 -0.120 -1.318 1.00 0.00 N ATOM 694 CA TRP A 453 56.326 -0.567 -0.669 1.00 0.00 C ATOM 695 C TRP A 453 57.521 -0.328 -1.596 1.00 0.00 C ATOM 696 O TRP A 453 57.585 -0.864 -2.686 1.00 0.00 O ATOM 697 CB TRP A 453 56.120 -2.061 -0.439 1.00 0.00 C ATOM 698 CG TRP A 453 55.445 -2.282 0.877 1.00 0.00 C ATOM 699 CD1 TRP A 453 54.217 -2.827 1.036 1.00 0.00 C ATOM 700 CD2 TRP A 453 55.934 -1.978 2.216 1.00 0.00 C ATOM 701 NE1 TRP A 453 53.920 -2.876 2.386 1.00 0.00 N ATOM 702 CE2 TRP A 453 54.947 -2.364 3.155 1.00 0.00 C ATOM 703 CE3 TRP A 453 57.125 -1.409 2.704 1.00 0.00 C ATOM 704 CZ2 TRP A 453 55.135 -2.193 4.526 1.00 0.00 C ATOM 705 CZ3 TRP A 453 57.317 -1.236 4.085 1.00 0.00 C ATOM 706 CH2 TRP A 453 56.323 -1.627 4.994 1.00 0.00 C ATOM 0 H TRP A 453 54.685 -0.765 -2.011 1.00 0.00 H new ATOM 0 HA TRP A 453 56.536 -0.026 0.253 1.00 0.00 H new ATOM 0 HB2 TRP A 453 55.517 -2.482 -1.243 1.00 0.00 H new ATOM 0 HB3 TRP A 453 57.080 -2.577 -0.457 1.00 0.00 H new ATOM 0 HD1 TRP A 453 53.573 -3.168 0.239 1.00 0.00 H new ATOM 0 HE1 TRP A 453 53.049 -3.245 2.767 1.00 0.00 H new ATOM 0 HE3 TRP A 453 57.896 -1.103 2.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 453 54.367 -2.496 5.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 453 58.235 -0.799 4.449 1.00 0.00 H new ATOM 0 HH2 TRP A 453 56.476 -1.491 6.054 1.00 0.00 H new ATOM 717 N VAL A 454 58.472 0.464 -1.174 1.00 0.00 N ATOM 718 CA VAL A 454 59.663 0.722 -2.041 1.00 0.00 C ATOM 719 C VAL A 454 60.950 0.722 -1.208 1.00 0.00 C ATOM 720 O VAL A 454 60.969 1.167 -0.079 1.00 0.00 O ATOM 721 CB VAL A 454 59.423 2.095 -2.670 1.00 0.00 C ATOM 722 CG1 VAL A 454 58.159 2.052 -3.529 1.00 0.00 C ATOM 723 CG2 VAL A 454 59.254 3.144 -1.573 1.00 0.00 C ATOM 0 H VAL A 454 58.477 0.941 -0.273 1.00 0.00 H new ATOM 0 HA VAL A 454 59.784 -0.051 -2.800 1.00 0.00 H new ATOM 0 HB VAL A 454 60.279 2.357 -3.292 1.00 0.00 H new ATOM 0 HG11 VAL A 454 57.990 3.031 -3.976 1.00 0.00 H new ATOM 0 HG12 VAL A 454 58.280 1.309 -4.317 1.00 0.00 H new ATOM 0 HG13 VAL A 454 57.305 1.785 -2.907 1.00 0.00 H new ATOM 0 HG21 VAL A 454 59.083 4.120 -2.026 1.00 0.00 H new ATOM 0 HG22 VAL A 454 58.402 2.881 -0.946 1.00 0.00 H new ATOM 0 HG23 VAL A 454 60.156 3.180 -0.962 1.00 0.00 H new ATOM 733 N HIS A 455 62.026 0.224 -1.765 1.00 0.00 N ATOM 734 CA HIS A 455 63.327 0.179 -1.018 1.00 0.00 C ATOM 735 C HIS A 455 63.610 1.523 -0.338 1.00 0.00 C ATOM 736 O HIS A 455 63.197 2.566 -0.807 1.00 0.00 O ATOM 737 CB HIS A 455 64.399 -0.111 -2.076 1.00 0.00 C ATOM 738 CG HIS A 455 64.047 -1.350 -2.836 1.00 0.00 C ATOM 739 ND1 HIS A 455 63.931 -1.369 -4.230 1.00 0.00 N ATOM 740 CD2 HIS A 455 63.746 -2.613 -2.413 1.00 0.00 C ATOM 741 CE1 HIS A 455 63.561 -2.620 -4.589 1.00 0.00 C ATOM 742 NE2 HIS A 455 63.445 -3.385 -3.515 1.00 0.00 N ATOM 0 H HIS A 455 62.062 -0.156 -2.711 1.00 0.00 H new ATOM 0 HA HIS A 455 63.309 -0.578 -0.234 1.00 0.00 H new ATOM 0 HB2 HIS A 455 64.484 0.733 -2.760 1.00 0.00 H new ATOM 0 HB3 HIS A 455 65.371 -0.232 -1.597 1.00 0.00 H new ATOM 0 HD2 HIS A 455 63.744 -2.951 -1.387 1.00 0.00 H new ATOM 0 HE1 HIS A 455 63.386 -2.947 -5.603 1.00 0.00 H new ATOM 0 HE2 HIS A 455 63.180 -4.370 -3.505 1.00 0.00 H new ATOM 750 N ALA A 456 64.313 1.501 0.762 1.00 0.00 N ATOM 751 CA ALA A 456 64.626 2.773 1.476 1.00 0.00 C ATOM 752 C ALA A 456 65.928 3.372 0.940 1.00 0.00 C ATOM 753 O ALA A 456 65.991 4.537 0.596 1.00 0.00 O ATOM 754 CB ALA A 456 64.785 2.374 2.943 1.00 0.00 C ATOM 0 H ALA A 456 64.684 0.657 1.198 1.00 0.00 H new ATOM 0 HA ALA A 456 63.849 3.526 1.340 1.00 0.00 H new ATOM 0 HB1 ALA A 456 65.017 3.258 3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 456 63.857 1.929 3.302 1.00 0.00 H new ATOM 0 HB3 ALA A 456 65.594 1.650 3.037 1.00 0.00 H new ATOM 760 N GLN A 457 66.967 2.582 0.864 1.00 0.00 N ATOM 761 CA GLN A 457 68.268 3.104 0.350 1.00 0.00 C ATOM 762 C GLN A 457 68.096 3.639 -1.076 1.00 0.00 C ATOM 763 O GLN A 457 68.797 4.537 -1.499 1.00 0.00 O ATOM 764 CB GLN A 457 69.217 1.901 0.373 1.00 0.00 C ATOM 765 CG GLN A 457 70.557 2.285 -0.259 1.00 0.00 C ATOM 766 CD GLN A 457 71.607 1.227 0.087 1.00 0.00 C ATOM 767 OE1 GLN A 457 72.728 1.555 0.420 1.00 0.00 O ATOM 768 NE2 GLN A 457 71.288 -0.037 0.022 1.00 0.00 N ATOM 0 H GLN A 457 66.971 1.599 1.135 1.00 0.00 H new ATOM 0 HA GLN A 457 68.651 3.929 0.950 1.00 0.00 H new ATOM 0 HB2 GLN A 457 69.371 1.567 1.399 1.00 0.00 H new ATOM 0 HB3 GLN A 457 68.774 1.066 -0.171 1.00 0.00 H new ATOM 0 HG2 GLN A 457 70.451 2.367 -1.341 1.00 0.00 H new ATOM 0 HG3 GLN A 457 70.876 3.262 0.105 1.00 0.00 H new ATOM 0 HE21 GLN A 457 70.346 -0.312 -0.258 1.00 0.00 H new ATOM 0 HE22 GLN A 457 71.980 -0.750 0.251 1.00 0.00 H new ATOM 777 N CYS A 458 67.163 3.099 -1.816 1.00 0.00 N ATOM 778 CA CYS A 458 66.941 3.587 -3.211 1.00 0.00 C ATOM 779 C CYS A 458 66.545 5.066 -3.187 1.00 0.00 C ATOM 780 O CYS A 458 66.771 5.795 -4.134 1.00 0.00 O ATOM 781 CB CYS A 458 65.795 2.735 -3.758 1.00 0.00 C ATOM 782 SG CYS A 458 66.453 1.195 -4.448 1.00 0.00 S ATOM 0 H CYS A 458 66.547 2.344 -1.517 1.00 0.00 H new ATOM 0 HA CYS A 458 67.836 3.501 -3.827 1.00 0.00 H new ATOM 0 HB2 CYS A 458 65.083 2.513 -2.963 1.00 0.00 H new ATOM 0 HB3 CYS A 458 65.254 3.287 -4.526 1.00 0.00 H new ATOM 0 HG CYS A 458 65.773 0.868 -5.507 1.00 0.00 H new ATOM 787 N MET A 459 65.955 5.511 -2.109 1.00 0.00 N ATOM 788 CA MET A 459 65.541 6.941 -2.014 1.00 0.00 C ATOM 789 C MET A 459 66.560 7.732 -1.188 1.00 0.00 C ATOM 790 O MET A 459 66.222 8.689 -0.521 1.00 0.00 O ATOM 791 CB MET A 459 64.185 6.913 -1.306 1.00 0.00 C ATOM 792 CG MET A 459 63.063 6.805 -2.344 1.00 0.00 C ATOM 793 SD MET A 459 62.033 5.359 -1.985 1.00 0.00 S ATOM 794 CE MET A 459 61.592 4.969 -3.696 1.00 0.00 C ATOM 0 H MET A 459 65.742 4.944 -1.288 1.00 0.00 H new ATOM 0 HA MET A 459 65.482 7.421 -2.991 1.00 0.00 H new ATOM 0 HB2 MET A 459 64.140 6.068 -0.619 1.00 0.00 H new ATOM 0 HB3 MET A 459 64.056 7.816 -0.710 1.00 0.00 H new ATOM 0 HG2 MET A 459 62.454 7.709 -2.330 1.00 0.00 H new ATOM 0 HG3 MET A 459 63.487 6.721 -3.345 1.00 0.00 H new ATOM 0 HE1 MET A 459 61.035 4.032 -3.724 1.00 0.00 H new ATOM 0 HE2 MET A 459 60.976 5.770 -4.105 1.00 0.00 H new ATOM 0 HE3 MET A 459 62.499 4.869 -4.292 1.00 0.00 H new ATOM 804 N ASP A 460 67.806 7.335 -1.228 1.00 0.00 N ATOM 805 CA ASP A 460 68.855 8.058 -0.445 1.00 0.00 C ATOM 806 C ASP A 460 68.458 8.137 1.034 1.00 0.00 C ATOM 807 O ASP A 460 68.186 9.201 1.557 1.00 0.00 O ATOM 808 CB ASP A 460 68.923 9.458 -1.060 1.00 0.00 C ATOM 809 CG ASP A 460 70.373 9.945 -1.064 1.00 0.00 C ATOM 810 OD1 ASP A 460 71.191 9.305 -1.706 1.00 0.00 O ATOM 811 OD2 ASP A 460 70.641 10.949 -0.425 1.00 0.00 O ATOM 0 H ASP A 460 68.144 6.540 -1.770 1.00 0.00 H new ATOM 0 HA ASP A 460 69.819 7.550 -0.486 1.00 0.00 H new ATOM 0 HB2 ASP A 460 68.532 9.439 -2.077 1.00 0.00 H new ATOM 0 HB3 ASP A 460 68.299 10.147 -0.491 1.00 0.00 H new ATOM 816 N LEU A 461 68.423 7.019 1.708 1.00 0.00 N ATOM 817 CA LEU A 461 68.043 7.026 3.152 1.00 0.00 C ATOM 818 C LEU A 461 69.219 6.551 4.010 1.00 0.00 C ATOM 819 O LEU A 461 70.319 6.370 3.527 1.00 0.00 O ATOM 820 CB LEU A 461 66.873 6.048 3.259 1.00 0.00 C ATOM 821 CG LEU A 461 65.553 6.818 3.192 1.00 0.00 C ATOM 822 CD1 LEU A 461 64.440 5.885 2.710 1.00 0.00 C ATOM 823 CD2 LEU A 461 65.205 7.352 4.584 1.00 0.00 C ATOM 0 H LEU A 461 68.641 6.100 1.322 1.00 0.00 H new ATOM 0 HA LEU A 461 67.775 8.022 3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 461 66.921 5.318 2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 461 66.935 5.493 4.195 1.00 0.00 H new ATOM 0 HG LEU A 461 65.653 7.651 2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 461 63.500 6.434 2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 461 64.688 5.504 1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 461 64.338 5.051 3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 461 64.265 7.901 4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 461 65.105 6.518 5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 461 65.997 8.017 4.927 1.00 0.00 H new ATOM 835 N GLU A 462 68.991 6.348 5.280 1.00 0.00 N ATOM 836 CA GLU A 462 70.092 5.884 6.174 1.00 0.00 C ATOM 837 C GLU A 462 69.650 4.643 6.954 1.00 0.00 C ATOM 838 O GLU A 462 68.477 4.335 7.035 1.00 0.00 O ATOM 839 CB GLU A 462 70.347 7.053 7.127 1.00 0.00 C ATOM 840 CG GLU A 462 71.195 8.116 6.421 1.00 0.00 C ATOM 841 CD GLU A 462 72.639 8.037 6.923 1.00 0.00 C ATOM 842 OE1 GLU A 462 73.368 7.187 6.440 1.00 0.00 O ATOM 843 OE2 GLU A 462 72.990 8.828 7.783 1.00 0.00 O ATOM 0 H GLU A 462 68.089 6.483 5.737 1.00 0.00 H new ATOM 0 HA GLU A 462 70.988 5.608 5.618 1.00 0.00 H new ATOM 0 HB2 GLU A 462 69.400 7.485 7.451 1.00 0.00 H new ATOM 0 HB3 GLU A 462 70.859 6.700 8.022 1.00 0.00 H new ATOM 0 HG2 GLU A 462 71.165 7.962 5.342 1.00 0.00 H new ATOM 0 HG3 GLU A 462 70.786 9.108 6.613 1.00 0.00 H new ATOM 850 N GLU A 463 70.581 3.927 7.526 1.00 0.00 N ATOM 851 CA GLU A 463 70.216 2.704 8.301 1.00 0.00 C ATOM 852 C GLU A 463 69.367 3.085 9.517 1.00 0.00 C ATOM 853 O GLU A 463 68.459 2.372 9.899 1.00 0.00 O ATOM 854 CB GLU A 463 71.548 2.099 8.745 1.00 0.00 C ATOM 855 CG GLU A 463 71.296 0.765 9.448 1.00 0.00 C ATOM 856 CD GLU A 463 72.572 0.309 10.156 1.00 0.00 C ATOM 857 OE1 GLU A 463 73.392 -0.322 9.509 1.00 0.00 O ATOM 858 OE2 GLU A 463 72.709 0.601 11.333 1.00 0.00 O ATOM 0 H GLU A 463 71.579 4.136 7.490 1.00 0.00 H new ATOM 0 HA GLU A 463 69.629 2.001 7.710 1.00 0.00 H new ATOM 0 HB2 GLU A 463 72.197 1.950 7.882 1.00 0.00 H new ATOM 0 HB3 GLU A 463 72.064 2.784 9.417 1.00 0.00 H new ATOM 0 HG2 GLU A 463 70.486 0.870 10.169 1.00 0.00 H new ATOM 0 HG3 GLU A 463 70.982 0.014 8.723 1.00 0.00 H new ATOM 865 N ARG A 464 69.654 4.205 10.125 1.00 0.00 N ATOM 866 CA ARG A 464 68.864 4.634 11.317 1.00 0.00 C ATOM 867 C ARG A 464 67.423 4.946 10.908 1.00 0.00 C ATOM 868 O ARG A 464 66.491 4.326 11.382 1.00 0.00 O ATOM 869 CB ARG A 464 69.561 5.897 11.826 1.00 0.00 C ATOM 870 CG ARG A 464 68.869 6.387 13.102 1.00 0.00 C ATOM 871 CD ARG A 464 68.602 7.891 12.995 1.00 0.00 C ATOM 872 NE ARG A 464 67.893 8.247 14.256 1.00 0.00 N ATOM 873 CZ ARG A 464 67.744 9.500 14.590 1.00 0.00 C ATOM 874 NH1 ARG A 464 67.201 10.339 13.751 1.00 0.00 N ATOM 875 NH2 ARG A 464 68.140 9.913 15.763 1.00 0.00 N ATOM 0 H ARG A 464 70.401 4.842 9.848 1.00 0.00 H new ATOM 0 HA ARG A 464 68.819 3.859 12.082 1.00 0.00 H new ATOM 0 HB2 ARG A 464 70.612 5.689 12.027 1.00 0.00 H new ATOM 0 HB3 ARG A 464 69.531 6.674 11.062 1.00 0.00 H new ATOM 0 HG2 ARG A 464 67.932 5.850 13.249 1.00 0.00 H new ATOM 0 HG3 ARG A 464 69.495 6.179 13.970 1.00 0.00 H new ATOM 0 HD2 ARG A 464 69.532 8.451 12.893 1.00 0.00 H new ATOM 0 HD3 ARG A 464 67.993 8.123 12.121 1.00 0.00 H new ATOM 0 HE ARG A 464 67.524 7.511 14.859 1.00 0.00 H new ATOM 0 HH11 ARG A 464 66.893 10.016 12.834 1.00 0.00 H new ATOM 0 HH12 ARG A 464 67.085 11.318 14.012 1.00 0.00 H new ATOM 0 HH21 ARG A 464 68.566 9.257 16.418 1.00 0.00 H new ATOM 0 HH22 ARG A 464 68.024 10.892 16.025 1.00 0.00 H new ATOM 889 N THR A 465 67.235 5.900 10.031 1.00 0.00 N ATOM 890 CA THR A 465 65.851 6.256 9.588 1.00 0.00 C ATOM 891 C THR A 465 65.061 4.990 9.245 1.00 0.00 C ATOM 892 O THR A 465 63.878 4.900 9.502 1.00 0.00 O ATOM 893 CB THR A 465 66.042 7.125 8.344 1.00 0.00 C ATOM 894 OG1 THR A 465 66.954 8.174 8.637 1.00 0.00 O ATOM 895 CG2 THR A 465 64.697 7.718 7.922 1.00 0.00 C ATOM 0 H THR A 465 67.980 6.448 9.602 1.00 0.00 H new ATOM 0 HA THR A 465 65.291 6.777 10.365 1.00 0.00 H new ATOM 0 HB THR A 465 66.438 6.515 7.532 1.00 0.00 H new ATOM 0 HG1 THR A 465 67.079 8.731 7.840 1.00 0.00 H new ATOM 0 HG21 THR A 465 64.834 8.337 7.035 1.00 0.00 H new ATOM 0 HG22 THR A 465 63.999 6.912 7.697 1.00 0.00 H new ATOM 0 HG23 THR A 465 64.298 8.328 8.732 1.00 0.00 H new ATOM 903 N LEU A 466 65.712 4.007 8.683 1.00 0.00 N ATOM 904 CA LEU A 466 65.001 2.740 8.344 1.00 0.00 C ATOM 905 C LEU A 466 64.557 2.056 9.638 1.00 0.00 C ATOM 906 O LEU A 466 63.457 1.550 9.738 1.00 0.00 O ATOM 907 CB LEU A 466 66.036 1.886 7.600 1.00 0.00 C ATOM 908 CG LEU A 466 65.336 0.811 6.760 1.00 0.00 C ATOM 909 CD1 LEU A 466 64.557 -0.136 7.675 1.00 0.00 C ATOM 910 CD2 LEU A 466 64.372 1.471 5.769 1.00 0.00 C ATOM 0 H LEU A 466 66.703 4.026 8.444 1.00 0.00 H new ATOM 0 HA LEU A 466 64.111 2.900 7.736 1.00 0.00 H new ATOM 0 HB2 LEU A 466 66.645 2.520 6.956 1.00 0.00 H new ATOM 0 HB3 LEU A 466 66.711 1.416 8.315 1.00 0.00 H new ATOM 0 HG LEU A 466 66.088 0.245 6.210 1.00 0.00 H new ATOM 0 HD11 LEU A 466 64.062 -0.898 7.073 1.00 0.00 H new ATOM 0 HD12 LEU A 466 65.244 -0.615 8.373 1.00 0.00 H new ATOM 0 HD13 LEU A 466 63.810 0.429 8.232 1.00 0.00 H new ATOM 0 HD21 LEU A 466 63.878 0.702 5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 466 63.623 2.044 6.316 1.00 0.00 H new ATOM 0 HD23 LEU A 466 64.928 2.137 5.109 1.00 0.00 H new ATOM 922 N ILE A 467 65.399 2.059 10.639 1.00 0.00 N ATOM 923 CA ILE A 467 65.014 1.431 11.936 1.00 0.00 C ATOM 924 C ILE A 467 63.860 2.230 12.534 1.00 0.00 C ATOM 925 O ILE A 467 62.853 1.691 12.950 1.00 0.00 O ATOM 926 CB ILE A 467 66.276 1.517 12.817 1.00 0.00 C ATOM 927 CG1 ILE A 467 66.509 0.166 13.497 1.00 0.00 C ATOM 928 CG2 ILE A 467 66.127 2.607 13.895 1.00 0.00 C ATOM 929 CD1 ILE A 467 68.001 -0.014 13.782 1.00 0.00 C ATOM 0 H ILE A 467 66.333 2.468 10.614 1.00 0.00 H new ATOM 0 HA ILE A 467 64.683 0.397 11.839 1.00 0.00 H new ATOM 0 HB ILE A 467 67.123 1.773 12.181 1.00 0.00 H new ATOM 0 HG12 ILE A 467 65.942 0.113 14.426 1.00 0.00 H new ATOM 0 HG13 ILE A 467 66.151 -0.641 12.858 1.00 0.00 H new ATOM 0 HG21 ILE A 467 67.032 2.645 14.501 1.00 0.00 H new ATOM 0 HG22 ILE A 467 65.970 3.573 13.416 1.00 0.00 H new ATOM 0 HG23 ILE A 467 65.273 2.375 14.532 1.00 0.00 H new ATOM 0 HD11 ILE A 467 68.165 -0.977 14.266 1.00 0.00 H new ATOM 0 HD12 ILE A 467 68.557 0.021 12.845 1.00 0.00 H new ATOM 0 HD13 ILE A 467 68.345 0.786 14.438 1.00 0.00 H new ATOM 941 N HIS A 468 64.015 3.523 12.567 1.00 0.00 N ATOM 942 CA HIS A 468 62.955 4.397 13.123 1.00 0.00 C ATOM 943 C HIS A 468 61.660 4.175 12.338 1.00 0.00 C ATOM 944 O HIS A 468 60.595 4.022 12.901 1.00 0.00 O ATOM 945 CB HIS A 468 63.497 5.819 12.925 1.00 0.00 C ATOM 946 CG HIS A 468 62.433 6.821 13.256 1.00 0.00 C ATOM 947 ND1 HIS A 468 61.179 6.999 12.752 1.00 0.00 N flip ATOM 948 CD2 HIS A 468 62.603 7.805 14.218 1.00 0.00 C flip ATOM 949 CE1 HIS A 468 60.564 8.078 13.380 1.00 0.00 C flip ATOM 950 NE2 HIS A 468 61.467 8.528 14.257 1.00 0.00 N flip ATOM 0 H HIS A 468 64.842 4.014 12.228 1.00 0.00 H new ATOM 0 HA HIS A 468 62.726 4.199 14.170 1.00 0.00 H new ATOM 0 HB2 HIS A 468 64.368 5.977 13.561 1.00 0.00 H new ATOM 0 HB3 HIS A 468 63.826 5.952 11.894 1.00 0.00 H new ATOM 0 HD2 HIS A 468 63.483 7.963 14.824 1.00 0.00 H new ATOM 0 HE1 HIS A 468 59.573 8.467 13.198 1.00 0.00 H new ATOM 0 HE2 HIS A 468 61.315 9.322 14.879 1.00 0.00 H new ATOM 958 N LEU A 469 61.757 4.152 11.039 1.00 0.00 N ATOM 959 CA LEU A 469 60.546 3.937 10.197 1.00 0.00 C ATOM 960 C LEU A 469 59.940 2.555 10.472 1.00 0.00 C ATOM 961 O LEU A 469 58.812 2.283 10.108 1.00 0.00 O ATOM 962 CB LEU A 469 61.052 4.029 8.757 1.00 0.00 C ATOM 963 CG LEU A 469 60.767 5.428 8.210 1.00 0.00 C ATOM 964 CD1 LEU A 469 61.557 5.644 6.921 1.00 0.00 C ATOM 965 CD2 LEU A 469 59.270 5.566 7.920 1.00 0.00 C ATOM 0 H LEU A 469 62.627 4.273 10.521 1.00 0.00 H new ATOM 0 HA LEU A 469 59.763 4.666 10.404 1.00 0.00 H new ATOM 0 HB2 LEU A 469 62.122 3.823 8.721 1.00 0.00 H new ATOM 0 HB3 LEU A 469 60.562 3.277 8.138 1.00 0.00 H new ATOM 0 HG LEU A 469 61.066 6.173 8.947 1.00 0.00 H new ATOM 0 HD11 LEU A 469 61.353 6.642 6.532 1.00 0.00 H new ATOM 0 HD12 LEU A 469 62.623 5.546 7.127 1.00 0.00 H new ATOM 0 HD13 LEU A 469 61.260 4.899 6.183 1.00 0.00 H new ATOM 0 HD21 LEU A 469 59.065 6.563 7.530 1.00 0.00 H new ATOM 0 HD22 LEU A 469 58.972 4.820 7.183 1.00 0.00 H new ATOM 0 HD23 LEU A 469 58.706 5.413 8.840 1.00 0.00 H new ATOM 977 N SER A 470 60.676 1.682 11.111 1.00 0.00 N ATOM 978 CA SER A 470 60.134 0.324 11.404 1.00 0.00 C ATOM 979 C SER A 470 59.481 0.289 12.791 1.00 0.00 C ATOM 980 O SER A 470 59.132 -0.763 13.292 1.00 0.00 O ATOM 981 CB SER A 470 61.349 -0.601 11.364 1.00 0.00 C ATOM 982 OG SER A 470 60.919 -1.948 11.514 1.00 0.00 O ATOM 0 H SER A 470 61.626 1.851 11.441 1.00 0.00 H new ATOM 0 HA SER A 470 59.366 0.028 10.689 1.00 0.00 H new ATOM 0 HB2 SER A 470 61.882 -0.480 10.421 1.00 0.00 H new ATOM 0 HB3 SER A 470 62.046 -0.339 12.160 1.00 0.00 H new ATOM 0 HG SER A 470 60.182 -1.986 12.159 1.00 0.00 H new ATOM 988 N GLU A 471 59.311 1.425 13.420 1.00 0.00 N ATOM 989 CA GLU A 471 58.678 1.438 14.773 1.00 0.00 C ATOM 990 C GLU A 471 57.161 1.623 14.651 1.00 0.00 C ATOM 991 O GLU A 471 56.404 1.197 15.500 1.00 0.00 O ATOM 992 CB GLU A 471 59.319 2.624 15.505 1.00 0.00 C ATOM 993 CG GLU A 471 58.769 3.945 14.956 1.00 0.00 C ATOM 994 CD GLU A 471 59.749 5.078 15.267 1.00 0.00 C ATOM 995 OE1 GLU A 471 60.941 4.822 15.257 1.00 0.00 O ATOM 996 OE2 GLU A 471 59.291 6.182 15.510 1.00 0.00 O ATOM 0 H GLU A 471 59.582 2.339 13.057 1.00 0.00 H new ATOM 0 HA GLU A 471 58.834 0.502 15.310 1.00 0.00 H new ATOM 0 HB2 GLU A 471 59.116 2.554 16.574 1.00 0.00 H new ATOM 0 HB3 GLU A 471 60.402 2.594 15.383 1.00 0.00 H new ATOM 0 HG2 GLU A 471 58.617 3.868 13.879 1.00 0.00 H new ATOM 0 HG3 GLU A 471 57.797 4.159 15.401 1.00 0.00 H new ATOM 1003 N GLY A 472 56.715 2.256 13.598 1.00 0.00 N ATOM 1004 CA GLY A 472 55.249 2.469 13.417 1.00 0.00 C ATOM 1005 C GLY A 472 54.999 3.207 12.101 1.00 0.00 C ATOM 1006 O GLY A 472 55.866 3.292 11.253 1.00 0.00 O ATOM 0 H GLY A 472 57.303 2.635 12.855 1.00 0.00 H new ATOM 0 HA2 GLY A 472 54.729 1.511 13.413 1.00 0.00 H new ATOM 0 HA3 GLY A 472 54.849 3.045 14.251 1.00 0.00 H new ATOM 1010 N SER A 473 53.821 3.742 11.925 1.00 0.00 N ATOM 1011 CA SER A 473 53.514 4.475 10.663 1.00 0.00 C ATOM 1012 C SER A 473 53.824 5.965 10.827 1.00 0.00 C ATOM 1013 O SER A 473 53.579 6.549 11.865 1.00 0.00 O ATOM 1014 CB SER A 473 52.019 4.261 10.434 1.00 0.00 C ATOM 1015 OG SER A 473 51.697 2.898 10.676 1.00 0.00 O ATOM 0 H SER A 473 53.058 3.703 12.601 1.00 0.00 H new ATOM 0 HA SER A 473 54.110 4.118 9.823 1.00 0.00 H new ATOM 0 HB2 SER A 473 51.442 4.906 11.097 1.00 0.00 H new ATOM 0 HB3 SER A 473 51.753 4.534 9.413 1.00 0.00 H new ATOM 0 HG SER A 473 50.738 2.758 10.532 1.00 0.00 H new ATOM 1021 N ASN A 474 54.362 6.584 9.809 1.00 0.00 N ATOM 1022 CA ASN A 474 54.689 8.037 9.902 1.00 0.00 C ATOM 1023 C ASN A 474 54.469 8.715 8.547 1.00 0.00 C ATOM 1024 O ASN A 474 54.418 8.065 7.520 1.00 0.00 O ATOM 1025 CB ASN A 474 56.166 8.085 10.295 1.00 0.00 C ATOM 1026 CG ASN A 474 56.391 9.219 11.298 1.00 0.00 C ATOM 1027 OD1 ASN A 474 55.645 9.364 12.246 1.00 0.00 O ATOM 1028 ND2 ASN A 474 57.396 10.034 11.128 1.00 0.00 N ATOM 0 H ASN A 474 54.589 6.145 8.917 1.00 0.00 H new ATOM 0 HA ASN A 474 54.059 8.559 10.623 1.00 0.00 H new ATOM 0 HB2 ASN A 474 56.468 7.133 10.732 1.00 0.00 H new ATOM 0 HB3 ASN A 474 56.784 8.240 9.410 1.00 0.00 H new ATOM 0 HD21 ASN A 474 57.555 10.793 11.791 1.00 0.00 H new ATOM 0 HD22 ASN A 474 58.022 9.912 10.332 1.00 0.00 H new ATOM 1035 N LYS A 475 54.340 10.014 8.537 1.00 0.00 N ATOM 1036 CA LYS A 475 54.124 10.734 7.247 1.00 0.00 C ATOM 1037 C LYS A 475 55.397 10.684 6.395 1.00 0.00 C ATOM 1038 O LYS A 475 56.164 11.626 6.351 1.00 0.00 O ATOM 1039 CB LYS A 475 53.794 12.176 7.643 1.00 0.00 C ATOM 1040 CG LYS A 475 52.529 12.632 6.912 1.00 0.00 C ATOM 1041 CD LYS A 475 52.403 14.154 7.009 1.00 0.00 C ATOM 1042 CE LYS A 475 51.534 14.522 8.215 1.00 0.00 C ATOM 1043 NZ LYS A 475 50.328 15.179 7.637 1.00 0.00 N ATOM 0 H LYS A 475 54.375 10.608 9.365 1.00 0.00 H new ATOM 0 HA LYS A 475 53.327 10.286 6.653 1.00 0.00 H new ATOM 0 HB2 LYS A 475 53.648 12.243 8.721 1.00 0.00 H new ATOM 0 HB3 LYS A 475 54.627 12.832 7.393 1.00 0.00 H new ATOM 0 HG2 LYS A 475 52.570 12.326 5.867 1.00 0.00 H new ATOM 0 HG3 LYS A 475 51.652 12.155 7.349 1.00 0.00 H new ATOM 0 HD2 LYS A 475 53.390 14.605 7.108 1.00 0.00 H new ATOM 0 HD3 LYS A 475 51.961 14.551 6.095 1.00 0.00 H new ATOM 0 HE2 LYS A 475 51.263 13.637 8.791 1.00 0.00 H new ATOM 0 HE3 LYS A 475 52.063 15.193 8.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 49.684 15.460 8.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 50.616 16.022 7.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 49.841 14.514 7.002 1.00 0.00 H new ATOM 1057 N TYR A 476 55.625 9.589 5.719 1.00 0.00 N ATOM 1058 CA TYR A 476 56.845 9.473 4.870 1.00 0.00 C ATOM 1059 C TYR A 476 56.456 9.214 3.413 1.00 0.00 C ATOM 1060 O TYR A 476 55.768 8.261 3.102 1.00 0.00 O ATOM 1061 CB TYR A 476 57.616 8.283 5.441 1.00 0.00 C ATOM 1062 CG TYR A 476 58.982 8.228 4.802 1.00 0.00 C ATOM 1063 CD1 TYR A 476 59.111 7.825 3.470 1.00 0.00 C ATOM 1064 CD2 TYR A 476 60.117 8.587 5.539 1.00 0.00 C ATOM 1065 CE1 TYR A 476 60.374 7.781 2.871 1.00 0.00 C ATOM 1066 CE2 TYR A 476 61.381 8.541 4.941 1.00 0.00 C ATOM 1067 CZ TYR A 476 61.510 8.138 3.606 1.00 0.00 C ATOM 1068 OH TYR A 476 62.756 8.096 3.015 1.00 0.00 O ATOM 0 H TYR A 476 55.018 8.769 5.719 1.00 0.00 H new ATOM 0 HA TYR A 476 57.441 10.386 4.880 1.00 0.00 H new ATOM 0 HB2 TYR A 476 57.710 8.380 6.523 1.00 0.00 H new ATOM 0 HB3 TYR A 476 57.074 7.357 5.250 1.00 0.00 H new ATOM 0 HD1 TYR A 476 58.235 7.547 2.903 1.00 0.00 H new ATOM 0 HD2 TYR A 476 60.017 8.899 6.568 1.00 0.00 H new ATOM 0 HE1 TYR A 476 60.473 7.471 1.841 1.00 0.00 H new ATOM 0 HE2 TYR A 476 62.257 8.816 5.509 1.00 0.00 H new ATOM 0 HH TYR A 476 63.209 8.955 3.145 1.00 0.00 H new ATOM 1078 N TYR A 477 56.896 10.057 2.516 1.00 0.00 N ATOM 1079 CA TYR A 477 56.558 9.865 1.075 1.00 0.00 C ATOM 1080 C TYR A 477 57.698 9.134 0.361 1.00 0.00 C ATOM 1081 O TYR A 477 58.703 8.800 0.958 1.00 0.00 O ATOM 1082 CB TYR A 477 56.393 11.279 0.515 1.00 0.00 C ATOM 1083 CG TYR A 477 55.251 11.972 1.222 1.00 0.00 C ATOM 1084 CD1 TYR A 477 53.929 11.698 0.851 1.00 0.00 C ATOM 1085 CD2 TYR A 477 55.517 12.887 2.247 1.00 0.00 C ATOM 1086 CE1 TYR A 477 52.871 12.341 1.507 1.00 0.00 C ATOM 1087 CE2 TYR A 477 54.459 13.529 2.903 1.00 0.00 C ATOM 1088 CZ TYR A 477 53.137 13.256 2.532 1.00 0.00 C ATOM 1089 OH TYR A 477 52.095 13.890 3.179 1.00 0.00 O ATOM 0 H TYR A 477 57.476 10.871 2.720 1.00 0.00 H new ATOM 0 HA TYR A 477 55.658 9.265 0.936 1.00 0.00 H new ATOM 0 HB2 TYR A 477 57.315 11.845 0.650 1.00 0.00 H new ATOM 0 HB3 TYR A 477 56.199 11.237 -0.557 1.00 0.00 H new ATOM 0 HD1 TYR A 477 53.725 10.992 0.060 1.00 0.00 H new ATOM 0 HD2 TYR A 477 56.537 13.098 2.532 1.00 0.00 H new ATOM 0 HE1 TYR A 477 51.851 12.131 1.222 1.00 0.00 H new ATOM 0 HE2 TYR A 477 54.663 14.234 3.695 1.00 0.00 H new ATOM 0 HH TYR A 477 52.453 14.492 3.864 1.00 0.00 H new ATOM 1099 N CYS A 478 57.551 8.884 -0.912 1.00 0.00 N ATOM 1100 CA CYS A 478 58.627 8.175 -1.662 1.00 0.00 C ATOM 1101 C CYS A 478 59.405 9.172 -2.532 1.00 0.00 C ATOM 1102 O CYS A 478 59.314 10.370 -2.348 1.00 0.00 O ATOM 1103 CB CYS A 478 57.894 7.128 -2.515 1.00 0.00 C ATOM 1104 SG CYS A 478 57.241 7.887 -4.025 1.00 0.00 S ATOM 0 H CYS A 478 56.733 9.140 -1.465 1.00 0.00 H new ATOM 0 HA CYS A 478 59.360 7.705 -1.006 1.00 0.00 H new ATOM 0 HB2 CYS A 478 58.576 6.318 -2.773 1.00 0.00 H new ATOM 0 HB3 CYS A 478 57.079 6.687 -1.940 1.00 0.00 H new ATOM 0 HG CYS A 478 55.942 7.834 -4.011 1.00 0.00 H new ATOM 1109 N ASN A 479 60.167 8.688 -3.477 1.00 0.00 N ATOM 1110 CA ASN A 479 60.947 9.611 -4.354 1.00 0.00 C ATOM 1111 C ASN A 479 60.026 10.283 -5.379 1.00 0.00 C ATOM 1112 O ASN A 479 60.117 11.470 -5.623 1.00 0.00 O ATOM 1113 CB ASN A 479 61.969 8.720 -5.060 1.00 0.00 C ATOM 1114 CG ASN A 479 63.218 9.539 -5.392 1.00 0.00 C ATOM 1115 OD1 ASN A 479 63.208 10.338 -6.307 1.00 0.00 O ATOM 1116 ND2 ASN A 479 64.301 9.372 -4.683 1.00 0.00 N ATOM 0 H ASN A 479 60.283 7.695 -3.680 1.00 0.00 H new ATOM 0 HA ASN A 479 61.423 10.410 -3.785 1.00 0.00 H new ATOM 0 HB2 ASN A 479 62.233 7.876 -4.423 1.00 0.00 H new ATOM 0 HB3 ASN A 479 61.539 8.307 -5.973 1.00 0.00 H new ATOM 0 HD21 ASN A 479 65.139 9.912 -4.897 1.00 0.00 H new ATOM 0 HD22 ASN A 479 64.309 8.701 -3.915 1.00 0.00 H new ATOM 1123 N GLU A 480 59.146 9.530 -5.984 1.00 0.00 N ATOM 1124 CA GLU A 480 58.224 10.121 -7.001 1.00 0.00 C ATOM 1125 C GLU A 480 57.039 10.830 -6.328 1.00 0.00 C ATOM 1126 O GLU A 480 56.162 11.345 -6.994 1.00 0.00 O ATOM 1127 CB GLU A 480 57.733 8.930 -7.824 1.00 0.00 C ATOM 1128 CG GLU A 480 57.396 9.393 -9.243 1.00 0.00 C ATOM 1129 CD GLU A 480 56.306 8.494 -9.830 1.00 0.00 C ATOM 1130 OE1 GLU A 480 55.142 8.808 -9.639 1.00 0.00 O ATOM 1131 OE2 GLU A 480 56.654 7.509 -10.459 1.00 0.00 O ATOM 0 H GLU A 480 59.025 8.531 -5.819 1.00 0.00 H new ATOM 0 HA GLU A 480 58.725 10.872 -7.612 1.00 0.00 H new ATOM 0 HB2 GLU A 480 58.499 8.156 -7.855 1.00 0.00 H new ATOM 0 HB3 GLU A 480 56.853 8.489 -7.356 1.00 0.00 H new ATOM 0 HG2 GLU A 480 57.058 10.429 -9.228 1.00 0.00 H new ATOM 0 HG3 GLU A 480 58.287 9.358 -9.869 1.00 0.00 H new ATOM 1138 N HIS A 481 57.005 10.866 -5.021 1.00 0.00 N ATOM 1139 CA HIS A 481 55.873 11.548 -4.326 1.00 0.00 C ATOM 1140 C HIS A 481 56.409 12.524 -3.275 1.00 0.00 C ATOM 1141 O HIS A 481 55.818 12.717 -2.232 1.00 0.00 O ATOM 1142 CB HIS A 481 55.075 10.423 -3.659 1.00 0.00 C ATOM 1143 CG HIS A 481 54.461 9.546 -4.718 1.00 0.00 C ATOM 1144 ND1 HIS A 481 54.464 8.147 -4.624 1.00 0.00 N ATOM 1145 CD2 HIS A 481 53.826 9.843 -5.902 1.00 0.00 C ATOM 1146 CE1 HIS A 481 53.851 7.664 -5.722 1.00 0.00 C ATOM 1147 NE2 HIS A 481 53.458 8.657 -6.506 1.00 0.00 N ATOM 0 H HIS A 481 57.708 10.455 -4.407 1.00 0.00 H new ATOM 0 HA HIS A 481 55.258 12.128 -5.014 1.00 0.00 H new ATOM 0 HB2 HIS A 481 55.727 9.832 -3.016 1.00 0.00 H new ATOM 0 HB3 HIS A 481 54.296 10.843 -3.023 1.00 0.00 H new ATOM 0 HD2 HIS A 481 53.646 10.834 -6.292 1.00 0.00 H new ATOM 0 HE1 HIS A 481 53.701 6.616 -5.933 1.00 0.00 H new ATOM 0 HE2 HIS A 481 52.970 8.562 -7.397 1.00 0.00 H new ATOM 1155 N VAL A 482 57.529 13.143 -3.546 1.00 0.00 N ATOM 1156 CA VAL A 482 58.110 14.108 -2.566 1.00 0.00 C ATOM 1157 C VAL A 482 58.100 15.524 -3.143 1.00 0.00 C ATOM 1158 O VAL A 482 58.060 16.503 -2.423 1.00 0.00 O ATOM 1159 CB VAL A 482 59.544 13.623 -2.336 1.00 0.00 C ATOM 1160 CG1 VAL A 482 60.386 13.857 -3.593 1.00 0.00 C ATOM 1161 CG2 VAL A 482 60.157 14.390 -1.162 1.00 0.00 C ATOM 0 H VAL A 482 58.067 13.022 -4.404 1.00 0.00 H new ATOM 0 HA VAL A 482 57.541 14.147 -1.637 1.00 0.00 H new ATOM 0 HB VAL A 482 59.529 12.556 -2.112 1.00 0.00 H new ATOM 0 HG11 VAL A 482 61.404 13.509 -3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 482 59.952 13.308 -4.429 1.00 0.00 H new ATOM 0 HG13 VAL A 482 60.402 14.921 -3.827 1.00 0.00 H new ATOM 0 HG21 VAL A 482 61.178 14.046 -0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 482 60.165 15.456 -1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 482 59.565 14.214 -0.264 1.00 0.00 H new ATOM 1171 N GLN A 483 58.140 15.631 -4.436 1.00 0.00 N ATOM 1172 CA GLN A 483 58.137 16.976 -5.085 1.00 0.00 C ATOM 1173 C GLN A 483 56.701 17.439 -5.356 1.00 0.00 C ATOM 1174 O GLN A 483 56.404 17.983 -6.401 1.00 0.00 O ATOM 1175 CB GLN A 483 58.893 16.781 -6.400 1.00 0.00 C ATOM 1176 CG GLN A 483 60.380 17.074 -6.186 1.00 0.00 C ATOM 1177 CD GLN A 483 60.684 18.515 -6.600 1.00 0.00 C ATOM 1178 OE1 GLN A 483 60.136 19.448 -6.046 1.00 0.00 O ATOM 1179 NE2 GLN A 483 61.539 18.738 -7.560 1.00 0.00 N ATOM 0 H GLN A 483 58.175 14.842 -5.081 1.00 0.00 H new ATOM 0 HA GLN A 483 58.598 17.736 -4.455 1.00 0.00 H new ATOM 0 HB2 GLN A 483 58.761 15.760 -6.759 1.00 0.00 H new ATOM 0 HB3 GLN A 483 58.488 17.443 -7.166 1.00 0.00 H new ATOM 0 HG2 GLN A 483 60.644 16.922 -5.139 1.00 0.00 H new ATOM 0 HG3 GLN A 483 60.985 16.382 -6.771 1.00 0.00 H new ATOM 0 HE21 GLN A 483 61.999 17.955 -8.025 1.00 0.00 H new ATOM 0 HE22 GLN A 483 61.747 19.695 -7.845 1.00 0.00 H new