USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=26 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 447 SER OG : rot -89:sc= 1.41 USER MOD Set 1.2: A 477 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 419 CYS SG : rot -80:sc= -0.7 USER MOD Set 2.2: A 420 CYS SG : rot 180:sc= -2.72 USER MOD Set 2.3: A 423 CYS SG : rot -120:sc= 0.00762 USER MOD Set 2.4: A 446 CYS SG : rot -166:sc= -2.61! USER MOD Set 2.5: A 452 HIS :FLIP no HD1:sc= -3.15 F(o=-35!,f=-34) USER MOD Set 2.6: A 455 HIS : +bothHN:sc= -9.64! C(o=-34!,f=-40!) USER MOD Set 2.7: A 458 CYS SG : rot -142:sc= -2.77 USER MOD Set 2.8: A 459 MET CE :methyl -175:sc= -2.33! (180deg=-2.4!) USER MOD Set 2.9: A 478 CYS SG : rot 37:sc= -8.2! USER MOD Set 2.10: A 481 HIS : no HD1:sc= -1.54 K(o=-34,f=-37!) USER MOD Single : A 415 TYR OH : rot 180:sc= 0 USER MOD Single : A 418 THR OG1 : rot 180:sc= 0.0579 USER MOD Single : A 422 THR OG1 : rot -56:sc= 0.696 USER MOD Single : A 428 ASN : amide:sc= -0.0166 K(o=-0.017,f=-0.61) USER MOD Single : A 429 THR OG1 : rot 180:sc= 0 USER MOD Single : A 434 TYR OH : rot 180:sc= -0.796 USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0.0512 USER MOD Single : A 439 ASN : amide:sc= -0.0177 X(o=-0.018,f=-0.42) USER MOD Single : A 440 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 MET CE :methyl -114:sc= -0.946 (180deg=-2.66) USER MOD Single : A 445 TYR OH : rot 180:sc= 0 USER MOD Single : A 448 HIS : no HD1:sc= -0.649 X(o=-0.65,f=-0.65) USER MOD Single : A 457 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.041) USER MOD Single : A 465 THR OG1 : rot 180:sc= 0.00946 USER MOD Single : A 468 HIS :FLIP no HD1:sc= -1.02 F(o=-2.4!,f=-1) USER MOD Single : A 470 SER OG : rot 180:sc= 0 USER MOD Single : A 473 SER OG : rot 180:sc= 0.0311 USER MOD Single : A 474 ASN : amide:sc= -0.323 K(o=-0.32,f=-7.8!) USER MOD Single : A 475 LYS NZ :NH3+ -175:sc= 0.243 (180deg=0.235) USER MOD Single : A 476 TYR OH : rot -80:sc= -2.75! USER MOD Single : A 479 ASN : amide:sc= -0.126 K(o=-0.13,f=-1.9!) USER MOD Single : A 483 GLN : amide:sc= -0.0737 K(o=-0.074,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 117 N TYR A 415 60.485 -8.214 -4.090 1.00 0.00 N ATOM 118 CA TYR A 415 61.555 -7.346 -3.517 1.00 0.00 C ATOM 119 C TYR A 415 62.497 -6.867 -4.623 1.00 0.00 C ATOM 120 O TYR A 415 62.884 -5.716 -4.666 1.00 0.00 O ATOM 121 CB TYR A 415 62.305 -8.242 -2.527 1.00 0.00 C ATOM 122 CG TYR A 415 61.898 -7.893 -1.114 1.00 0.00 C ATOM 123 CD1 TYR A 415 61.819 -6.553 -0.717 1.00 0.00 C ATOM 124 CD2 TYR A 415 61.601 -8.912 -0.200 1.00 0.00 C ATOM 125 CE1 TYR A 415 61.443 -6.231 0.592 1.00 0.00 C ATOM 126 CE2 TYR A 415 61.224 -8.590 1.109 1.00 0.00 C ATOM 127 CZ TYR A 415 61.145 -7.250 1.504 1.00 0.00 C ATOM 128 OH TYR A 415 60.774 -6.933 2.796 1.00 0.00 O ATOM 0 HA TYR A 415 61.150 -6.455 -3.037 1.00 0.00 H new ATOM 0 HB2 TYR A 415 62.084 -9.290 -2.731 1.00 0.00 H new ATOM 0 HB3 TYR A 415 63.381 -8.113 -2.648 1.00 0.00 H new ATOM 0 HD1 TYR A 415 62.048 -5.767 -1.421 1.00 0.00 H new ATOM 0 HD2 TYR A 415 61.663 -9.946 -0.505 1.00 0.00 H new ATOM 0 HE1 TYR A 415 61.383 -5.197 0.898 1.00 0.00 H new ATOM 0 HE2 TYR A 415 60.994 -9.375 1.814 1.00 0.00 H new ATOM 0 HH TYR A 415 60.601 -7.757 3.298 1.00 0.00 H new ATOM 138 N TRP A 416 62.861 -7.742 -5.518 1.00 0.00 N ATOM 139 CA TRP A 416 63.775 -7.345 -6.630 1.00 0.00 C ATOM 140 C TRP A 416 62.978 -6.597 -7.705 1.00 0.00 C ATOM 141 O TRP A 416 62.938 -6.995 -8.852 1.00 0.00 O ATOM 142 CB TRP A 416 64.320 -8.668 -7.175 1.00 0.00 C ATOM 143 CG TRP A 416 65.002 -9.407 -6.068 1.00 0.00 C ATOM 144 CD1 TRP A 416 64.663 -10.640 -5.625 1.00 0.00 C ATOM 145 CD2 TRP A 416 66.123 -8.973 -5.252 1.00 0.00 C ATOM 146 NE1 TRP A 416 65.508 -10.988 -4.586 1.00 0.00 N ATOM 147 CE2 TRP A 416 66.427 -9.992 -4.320 1.00 0.00 C ATOM 148 CE3 TRP A 416 66.898 -7.803 -5.232 1.00 0.00 C ATOM 149 CZ2 TRP A 416 67.467 -9.853 -3.399 1.00 0.00 C ATOM 150 CZ3 TRP A 416 67.944 -7.659 -4.311 1.00 0.00 C ATOM 151 CH2 TRP A 416 68.230 -8.679 -3.395 1.00 0.00 C ATOM 0 H TRP A 416 62.565 -8.718 -5.529 1.00 0.00 H new ATOM 0 HA TRP A 416 64.577 -6.681 -6.307 1.00 0.00 H new ATOM 0 HB2 TRP A 416 63.508 -9.269 -7.585 1.00 0.00 H new ATOM 0 HB3 TRP A 416 65.020 -8.480 -7.989 1.00 0.00 H new ATOM 0 HD1 TRP A 416 63.864 -11.252 -6.018 1.00 0.00 H new ATOM 0 HE1 TRP A 416 65.458 -11.872 -4.079 1.00 0.00 H new ATOM 0 HE3 TRP A 416 66.687 -7.008 -5.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 67.681 -10.644 -2.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 68.534 -6.755 -4.307 1.00 0.00 H new ATOM 0 HH2 TRP A 416 69.037 -8.560 -2.687 1.00 0.00 H new ATOM 162 N ILE A 417 62.333 -5.523 -7.332 1.00 0.00 N ATOM 163 CA ILE A 417 61.521 -4.750 -8.318 1.00 0.00 C ATOM 164 C ILE A 417 62.039 -3.313 -8.428 1.00 0.00 C ATOM 165 O ILE A 417 63.165 -3.019 -8.080 1.00 0.00 O ATOM 166 CB ILE A 417 60.097 -4.767 -7.750 1.00 0.00 C ATOM 167 CG1 ILE A 417 60.073 -4.053 -6.391 1.00 0.00 C ATOM 168 CG2 ILE A 417 59.640 -6.215 -7.569 1.00 0.00 C ATOM 169 CD1 ILE A 417 59.057 -2.908 -6.427 1.00 0.00 C ATOM 0 H ILE A 417 62.334 -5.147 -6.384 1.00 0.00 H new ATOM 0 HA ILE A 417 61.570 -5.178 -9.319 1.00 0.00 H new ATOM 0 HB ILE A 417 59.427 -4.254 -8.440 1.00 0.00 H new ATOM 0 HG12 ILE A 417 59.812 -4.759 -5.603 1.00 0.00 H new ATOM 0 HG13 ILE A 417 61.064 -3.665 -6.156 1.00 0.00 H new ATOM 0 HG21 ILE A 417 58.628 -6.229 -7.165 1.00 0.00 H new ATOM 0 HG22 ILE A 417 59.653 -6.724 -8.533 1.00 0.00 H new ATOM 0 HG23 ILE A 417 60.313 -6.725 -6.880 1.00 0.00 H new ATOM 0 HD11 ILE A 417 59.043 -2.404 -5.461 1.00 0.00 H new ATOM 0 HD12 ILE A 417 59.338 -2.197 -7.204 1.00 0.00 H new ATOM 0 HD13 ILE A 417 58.066 -3.308 -6.642 1.00 0.00 H new ATOM 181 N THR A 418 61.218 -2.419 -8.910 1.00 0.00 N ATOM 182 CA THR A 418 61.654 -1.000 -9.045 1.00 0.00 C ATOM 183 C THR A 418 60.939 -0.122 -8.013 1.00 0.00 C ATOM 184 O THR A 418 59.824 0.317 -8.218 1.00 0.00 O ATOM 185 CB THR A 418 61.257 -0.586 -10.467 1.00 0.00 C ATOM 186 OG1 THR A 418 60.193 -1.408 -10.928 1.00 0.00 O ATOM 187 CG2 THR A 418 62.461 -0.735 -11.398 1.00 0.00 C ATOM 0 H THR A 418 60.264 -2.611 -9.216 1.00 0.00 H new ATOM 0 HA THR A 418 62.724 -0.886 -8.873 1.00 0.00 H new ATOM 0 HB THR A 418 60.930 0.454 -10.461 1.00 0.00 H new ATOM 0 HG1 THR A 418 59.942 -1.139 -11.836 1.00 0.00 H new ATOM 0 HG21 THR A 418 62.178 -0.441 -12.409 1.00 0.00 H new ATOM 0 HG22 THR A 418 63.273 -0.097 -11.048 1.00 0.00 H new ATOM 0 HG23 THR A 418 62.792 -1.774 -11.402 1.00 0.00 H new ATOM 195 N CYS A 419 61.584 0.144 -6.909 1.00 0.00 N ATOM 196 CA CYS A 419 60.963 1.004 -5.857 1.00 0.00 C ATOM 197 C CYS A 419 60.777 2.436 -6.386 1.00 0.00 C ATOM 198 O CYS A 419 60.062 3.233 -5.810 1.00 0.00 O ATOM 199 CB CYS A 419 61.957 0.944 -4.688 1.00 0.00 C ATOM 200 SG CYS A 419 63.209 2.245 -4.826 1.00 0.00 S ATOM 0 H CYS A 419 62.519 -0.199 -6.688 1.00 0.00 H new ATOM 0 HA CYS A 419 59.970 0.671 -5.555 1.00 0.00 H new ATOM 0 HB2 CYS A 419 61.421 1.050 -3.745 1.00 0.00 H new ATOM 0 HB3 CYS A 419 62.443 -0.032 -4.670 1.00 0.00 H new ATOM 0 HG CYS A 419 64.121 1.881 -5.678 1.00 0.00 H new ATOM 205 N CYS A 420 61.414 2.757 -7.482 1.00 0.00 N ATOM 206 CA CYS A 420 61.284 4.124 -8.064 1.00 0.00 C ATOM 207 C CYS A 420 61.029 4.012 -9.575 1.00 0.00 C ATOM 208 O CYS A 420 60.841 2.925 -10.082 1.00 0.00 O ATOM 209 CB CYS A 420 62.634 4.791 -7.784 1.00 0.00 C ATOM 210 SG CYS A 420 62.391 6.250 -6.741 1.00 0.00 S ATOM 0 H CYS A 420 62.023 2.125 -8.002 1.00 0.00 H new ATOM 0 HA CYS A 420 60.457 4.695 -7.641 1.00 0.00 H new ATOM 0 HB2 CYS A 420 63.303 4.086 -7.290 1.00 0.00 H new ATOM 0 HB3 CYS A 420 63.110 5.078 -8.722 1.00 0.00 H new ATOM 0 HG CYS A 420 63.540 6.811 -6.505 1.00 0.00 H new ATOM 216 N PRO A 421 61.030 5.135 -10.254 1.00 0.00 N ATOM 217 CA PRO A 421 60.795 5.123 -11.715 1.00 0.00 C ATOM 218 C PRO A 421 62.068 4.690 -12.454 1.00 0.00 C ATOM 219 O PRO A 421 62.059 4.462 -13.648 1.00 0.00 O ATOM 220 CB PRO A 421 60.432 6.568 -12.035 1.00 0.00 C ATOM 221 CG PRO A 421 61.052 7.389 -10.947 1.00 0.00 C ATOM 222 CD PRO A 421 61.248 6.496 -9.743 1.00 0.00 C ATOM 0 HA PRO A 421 60.017 4.424 -12.022 1.00 0.00 H new ATOM 0 HB2 PRO A 421 60.814 6.861 -13.013 1.00 0.00 H new ATOM 0 HB3 PRO A 421 59.351 6.704 -12.061 1.00 0.00 H new ATOM 0 HG2 PRO A 421 62.006 7.800 -11.276 1.00 0.00 H new ATOM 0 HG3 PRO A 421 60.411 8.234 -10.695 1.00 0.00 H new ATOM 0 HD2 PRO A 421 62.249 6.607 -9.325 1.00 0.00 H new ATOM 0 HD3 PRO A 421 60.542 6.740 -8.949 1.00 0.00 H new ATOM 230 N THR A 422 63.159 4.568 -11.746 1.00 0.00 N ATOM 231 CA THR A 422 64.436 4.140 -12.387 1.00 0.00 C ATOM 232 C THR A 422 65.279 3.367 -11.369 1.00 0.00 C ATOM 233 O THR A 422 66.434 3.669 -11.143 1.00 0.00 O ATOM 234 CB THR A 422 65.136 5.439 -12.799 1.00 0.00 C ATOM 235 OG1 THR A 422 66.401 5.132 -13.368 1.00 0.00 O ATOM 236 CG2 THR A 422 65.329 6.336 -11.575 1.00 0.00 C ATOM 0 H THR A 422 63.220 4.748 -10.744 1.00 0.00 H new ATOM 0 HA THR A 422 64.279 3.486 -13.245 1.00 0.00 H new ATOM 0 HB THR A 422 64.522 5.963 -13.532 1.00 0.00 H new ATOM 0 HG1 THR A 422 66.927 4.606 -12.730 1.00 0.00 H new ATOM 0 HG21 THR A 422 65.827 7.258 -11.875 1.00 0.00 H new ATOM 0 HG22 THR A 422 64.358 6.573 -11.141 1.00 0.00 H new ATOM 0 HG23 THR A 422 65.940 5.817 -10.836 1.00 0.00 H new ATOM 244 N CYS A 423 64.696 2.375 -10.746 1.00 0.00 N ATOM 245 CA CYS A 423 65.446 1.581 -9.731 1.00 0.00 C ATOM 246 C CYS A 423 65.908 0.248 -10.328 1.00 0.00 C ATOM 247 O CYS A 423 65.277 -0.306 -11.206 1.00 0.00 O ATOM 248 CB CYS A 423 64.439 1.345 -8.599 1.00 0.00 C ATOM 249 SG CYS A 423 65.153 0.240 -7.353 1.00 0.00 S ATOM 0 H CYS A 423 63.731 2.081 -10.898 1.00 0.00 H new ATOM 0 HA CYS A 423 66.343 2.095 -9.384 1.00 0.00 H new ATOM 0 HB2 CYS A 423 64.166 2.295 -8.140 1.00 0.00 H new ATOM 0 HB3 CYS A 423 63.524 0.910 -9.000 1.00 0.00 H new ATOM 0 HG CYS A 423 64.417 -0.826 -7.246 1.00 0.00 H new ATOM 254 N ASP A 424 67.005 -0.266 -9.846 1.00 0.00 N ATOM 255 CA ASP A 424 67.522 -1.562 -10.365 1.00 0.00 C ATOM 256 C ASP A 424 68.019 -2.422 -9.200 1.00 0.00 C ATOM 257 O ASP A 424 69.072 -3.026 -9.264 1.00 0.00 O ATOM 258 CB ASP A 424 68.680 -1.185 -11.291 1.00 0.00 C ATOM 259 CG ASP A 424 69.682 -0.306 -10.539 1.00 0.00 C ATOM 260 OD1 ASP A 424 70.158 -0.737 -9.501 1.00 0.00 O ATOM 261 OD2 ASP A 424 69.956 0.785 -11.012 1.00 0.00 O ATOM 0 H ASP A 424 67.569 0.159 -9.110 1.00 0.00 H new ATOM 0 HA ASP A 424 66.760 -2.139 -10.889 1.00 0.00 H new ATOM 0 HB2 ASP A 424 69.174 -2.086 -11.655 1.00 0.00 H new ATOM 0 HB3 ASP A 424 68.301 -0.654 -12.164 1.00 0.00 H new ATOM 266 N VAL A 425 67.268 -2.473 -8.131 1.00 0.00 N ATOM 267 CA VAL A 425 67.690 -3.286 -6.952 1.00 0.00 C ATOM 268 C VAL A 425 67.666 -4.777 -7.300 1.00 0.00 C ATOM 269 O VAL A 425 66.619 -5.375 -7.455 1.00 0.00 O ATOM 270 CB VAL A 425 66.670 -2.942 -5.854 1.00 0.00 C ATOM 271 CG1 VAL A 425 66.560 -4.085 -4.836 1.00 0.00 C ATOM 272 CG2 VAL A 425 67.129 -1.677 -5.130 1.00 0.00 C ATOM 0 H VAL A 425 66.379 -1.985 -8.023 1.00 0.00 H new ATOM 0 HA VAL A 425 68.709 -3.068 -6.631 1.00 0.00 H new ATOM 0 HB VAL A 425 65.695 -2.788 -6.316 1.00 0.00 H new ATOM 0 HG11 VAL A 425 65.833 -3.820 -4.068 1.00 0.00 H new ATOM 0 HG12 VAL A 425 66.237 -4.994 -5.343 1.00 0.00 H new ATOM 0 HG13 VAL A 425 67.532 -4.254 -4.372 1.00 0.00 H new ATOM 0 HG21 VAL A 425 66.412 -1.424 -4.349 1.00 0.00 H new ATOM 0 HG22 VAL A 425 68.108 -1.849 -4.682 1.00 0.00 H new ATOM 0 HG23 VAL A 425 67.195 -0.854 -5.842 1.00 0.00 H new ATOM 282 N ASP A 426 68.820 -5.374 -7.419 1.00 0.00 N ATOM 283 CA ASP A 426 68.889 -6.826 -7.750 1.00 0.00 C ATOM 284 C ASP A 426 69.993 -7.489 -6.923 1.00 0.00 C ATOM 285 O ASP A 426 71.049 -6.923 -6.719 1.00 0.00 O ATOM 286 CB ASP A 426 69.226 -6.880 -9.241 1.00 0.00 C ATOM 287 CG ASP A 426 67.967 -6.589 -10.060 1.00 0.00 C ATOM 288 OD1 ASP A 426 67.498 -5.463 -10.010 1.00 0.00 O ATOM 289 OD2 ASP A 426 67.493 -7.496 -10.725 1.00 0.00 O ATOM 0 H ASP A 426 69.724 -4.916 -7.300 1.00 0.00 H new ATOM 0 HA ASP A 426 67.959 -7.351 -7.529 1.00 0.00 H new ATOM 0 HB2 ASP A 426 70.002 -6.151 -9.476 1.00 0.00 H new ATOM 0 HB3 ASP A 426 69.622 -7.862 -9.500 1.00 0.00 H new ATOM 294 N ILE A 427 69.758 -8.680 -6.441 1.00 0.00 N ATOM 295 CA ILE A 427 70.798 -9.367 -5.620 1.00 0.00 C ATOM 296 C ILE A 427 72.101 -9.513 -6.415 1.00 0.00 C ATOM 297 O ILE A 427 73.169 -9.640 -5.847 1.00 0.00 O ATOM 298 CB ILE A 427 70.207 -10.737 -5.284 1.00 0.00 C ATOM 299 CG1 ILE A 427 71.160 -11.478 -4.340 1.00 0.00 C ATOM 300 CG2 ILE A 427 70.017 -11.552 -6.569 1.00 0.00 C ATOM 301 CD1 ILE A 427 70.616 -11.425 -2.911 1.00 0.00 C ATOM 0 H ILE A 427 68.895 -9.205 -6.579 1.00 0.00 H new ATOM 0 HA ILE A 427 71.046 -8.804 -4.720 1.00 0.00 H new ATOM 0 HB ILE A 427 69.239 -10.606 -4.801 1.00 0.00 H new ATOM 0 HG12 ILE A 427 71.270 -12.514 -4.659 1.00 0.00 H new ATOM 0 HG13 ILE A 427 72.151 -11.025 -4.379 1.00 0.00 H new ATOM 0 HG21 ILE A 427 69.596 -12.527 -6.323 1.00 0.00 H new ATOM 0 HG22 ILE A 427 69.339 -11.023 -7.239 1.00 0.00 H new ATOM 0 HG23 ILE A 427 70.981 -11.687 -7.060 1.00 0.00 H new ATOM 0 HD11 ILE A 427 71.296 -11.953 -2.243 1.00 0.00 H new ATOM 0 HD12 ILE A 427 70.529 -10.386 -2.593 1.00 0.00 H new ATOM 0 HD13 ILE A 427 69.635 -11.898 -2.877 1.00 0.00 H new ATOM 313 N ASN A 428 72.024 -9.488 -7.721 1.00 0.00 N ATOM 314 CA ASN A 428 73.264 -9.617 -8.544 1.00 0.00 C ATOM 315 C ASN A 428 74.295 -8.578 -8.094 1.00 0.00 C ATOM 316 O ASN A 428 75.487 -8.764 -8.244 1.00 0.00 O ATOM 317 CB ASN A 428 72.820 -9.346 -9.983 1.00 0.00 C ATOM 318 CG ASN A 428 74.014 -9.516 -10.926 1.00 0.00 C ATOM 319 OD1 ASN A 428 74.584 -8.545 -11.384 1.00 0.00 O ATOM 320 ND2 ASN A 428 74.418 -10.717 -11.238 1.00 0.00 N ATOM 0 H ASN A 428 71.159 -9.384 -8.252 1.00 0.00 H new ATOM 0 HA ASN A 428 73.729 -10.598 -8.444 1.00 0.00 H new ATOM 0 HB2 ASN A 428 72.021 -10.032 -10.264 1.00 0.00 H new ATOM 0 HB3 ASN A 428 72.418 -8.336 -10.067 1.00 0.00 H new ATOM 0 HD21 ASN A 428 75.212 -10.841 -11.866 1.00 0.00 H new ATOM 0 HD22 ASN A 428 73.940 -11.532 -10.854 1.00 0.00 H new ATOM 327 N THR A 429 73.838 -7.490 -7.535 1.00 0.00 N ATOM 328 CA THR A 429 74.779 -6.435 -7.060 1.00 0.00 C ATOM 329 C THR A 429 74.273 -5.834 -5.744 1.00 0.00 C ATOM 330 O THR A 429 74.693 -4.769 -5.338 1.00 0.00 O ATOM 331 CB THR A 429 74.785 -5.380 -8.167 1.00 0.00 C ATOM 332 OG1 THR A 429 73.460 -5.183 -8.641 1.00 0.00 O ATOM 333 CG2 THR A 429 75.677 -5.849 -9.318 1.00 0.00 C ATOM 0 H THR A 429 72.850 -7.286 -7.386 1.00 0.00 H new ATOM 0 HA THR A 429 75.778 -6.826 -6.868 1.00 0.00 H new ATOM 0 HB THR A 429 75.172 -4.441 -7.771 1.00 0.00 H new ATOM 0 HG1 THR A 429 73.463 -4.506 -9.349 1.00 0.00 H new ATOM 0 HG21 THR A 429 75.680 -5.096 -10.106 1.00 0.00 H new ATOM 0 HG22 THR A 429 76.694 -5.997 -8.954 1.00 0.00 H new ATOM 0 HG23 THR A 429 75.294 -6.789 -9.716 1.00 0.00 H new ATOM 341 N TRP A 430 73.372 -6.510 -5.076 1.00 0.00 N ATOM 342 CA TRP A 430 72.843 -5.978 -3.787 1.00 0.00 C ATOM 343 C TRP A 430 73.287 -6.858 -2.620 1.00 0.00 C ATOM 344 O TRP A 430 73.721 -7.978 -2.803 1.00 0.00 O ATOM 345 CB TRP A 430 71.324 -6.040 -3.911 1.00 0.00 C ATOM 346 CG TRP A 430 70.712 -5.300 -2.778 1.00 0.00 C ATOM 347 CD1 TRP A 430 70.445 -3.974 -2.717 1.00 0.00 C ATOM 348 CD2 TRP A 430 70.296 -5.858 -1.530 1.00 0.00 C ATOM 349 NE1 TRP A 430 69.881 -3.698 -1.479 1.00 0.00 N ATOM 350 CE2 TRP A 430 69.770 -4.844 -0.710 1.00 0.00 C ATOM 351 CE3 TRP A 430 70.337 -7.157 -1.057 1.00 0.00 C ATOM 352 CZ2 TRP A 430 69.290 -5.126 0.570 1.00 0.00 C ATOM 353 CZ3 TRP A 430 69.859 -7.463 0.226 1.00 0.00 C ATOM 354 CH2 TRP A 430 69.335 -6.445 1.042 1.00 0.00 C ATOM 0 H TRP A 430 72.982 -7.406 -5.369 1.00 0.00 H new ATOM 0 HA TRP A 430 73.207 -4.968 -3.599 1.00 0.00 H new ATOM 0 HB2 TRP A 430 71.006 -5.606 -4.859 1.00 0.00 H new ATOM 0 HB3 TRP A 430 70.989 -7.077 -3.907 1.00 0.00 H new ATOM 0 HD1 TRP A 430 70.638 -3.254 -3.498 1.00 0.00 H new ATOM 0 HE1 TRP A 430 69.586 -2.770 -1.175 1.00 0.00 H new ATOM 0 HE3 TRP A 430 70.740 -7.942 -1.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 430 68.889 -4.337 1.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 430 69.894 -8.480 0.587 1.00 0.00 H new ATOM 0 HH2 TRP A 430 68.968 -6.679 2.030 1.00 0.00 H new ATOM 365 N VAL A 431 73.162 -6.359 -1.420 1.00 0.00 N ATOM 366 CA VAL A 431 73.557 -7.157 -0.223 1.00 0.00 C ATOM 367 C VAL A 431 72.776 -6.673 1.004 1.00 0.00 C ATOM 368 O VAL A 431 72.223 -5.590 0.994 1.00 0.00 O ATOM 369 CB VAL A 431 75.054 -6.902 -0.032 1.00 0.00 C ATOM 370 CG1 VAL A 431 75.835 -7.446 -1.231 1.00 0.00 C ATOM 371 CG2 VAL A 431 75.312 -5.396 0.107 1.00 0.00 C ATOM 0 H VAL A 431 72.801 -5.427 -1.216 1.00 0.00 H new ATOM 0 HA VAL A 431 73.344 -8.218 -0.351 1.00 0.00 H new ATOM 0 HB VAL A 431 75.386 -7.411 0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 431 76.899 -7.260 -1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 431 75.663 -8.519 -1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 431 75.500 -6.947 -2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 431 76.379 -5.221 0.243 1.00 0.00 H new ATOM 0 HG22 VAL A 431 74.972 -4.884 -0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 431 74.769 -5.012 0.970 1.00 0.00 H new ATOM 381 N PRO A 432 72.758 -7.487 2.030 1.00 0.00 N ATOM 382 CA PRO A 432 72.039 -7.118 3.274 1.00 0.00 C ATOM 383 C PRO A 432 72.799 -6.020 4.023 1.00 0.00 C ATOM 384 O PRO A 432 73.785 -6.277 4.686 1.00 0.00 O ATOM 385 CB PRO A 432 72.018 -8.416 4.076 1.00 0.00 C ATOM 386 CG PRO A 432 73.186 -9.201 3.572 1.00 0.00 C ATOM 387 CD PRO A 432 73.395 -8.807 2.132 1.00 0.00 C ATOM 0 HA PRO A 432 71.040 -6.723 3.092 1.00 0.00 H new ATOM 0 HB2 PRO A 432 72.105 -8.221 5.145 1.00 0.00 H new ATOM 0 HB3 PRO A 432 71.084 -8.958 3.926 1.00 0.00 H new ATOM 0 HG2 PRO A 432 74.077 -8.989 4.163 1.00 0.00 H new ATOM 0 HG3 PRO A 432 72.996 -10.271 3.655 1.00 0.00 H new ATOM 0 HD2 PRO A 432 74.455 -8.760 1.881 1.00 0.00 H new ATOM 0 HD3 PRO A 432 72.938 -9.525 1.451 1.00 0.00 H new ATOM 395 N PHE A 433 72.347 -4.799 3.920 1.00 0.00 N ATOM 396 CA PHE A 433 73.041 -3.680 4.622 1.00 0.00 C ATOM 397 C PHE A 433 72.405 -3.436 5.994 1.00 0.00 C ATOM 398 O PHE A 433 73.022 -2.883 6.884 1.00 0.00 O ATOM 399 CB PHE A 433 72.843 -2.462 3.716 1.00 0.00 C ATOM 400 CG PHE A 433 74.161 -1.747 3.529 1.00 0.00 C ATOM 401 CD1 PHE A 433 75.263 -2.437 3.013 1.00 0.00 C ATOM 402 CD2 PHE A 433 74.277 -0.396 3.872 1.00 0.00 C ATOM 403 CE1 PHE A 433 76.484 -1.776 2.839 1.00 0.00 C ATOM 404 CE2 PHE A 433 75.499 0.267 3.697 1.00 0.00 C ATOM 405 CZ PHE A 433 76.602 -0.423 3.180 1.00 0.00 C ATOM 0 H PHE A 433 71.526 -4.528 3.379 1.00 0.00 H new ATOM 0 HA PHE A 433 74.096 -3.894 4.796 1.00 0.00 H new ATOM 0 HB2 PHE A 433 72.448 -2.776 2.750 1.00 0.00 H new ATOM 0 HB3 PHE A 433 72.110 -1.785 4.155 1.00 0.00 H new ATOM 0 HD1 PHE A 433 75.171 -3.480 2.749 1.00 0.00 H new ATOM 0 HD2 PHE A 433 73.426 0.136 4.271 1.00 0.00 H new ATOM 0 HE1 PHE A 433 77.335 -2.309 2.442 1.00 0.00 H new ATOM 0 HE2 PHE A 433 75.590 1.310 3.961 1.00 0.00 H new ATOM 0 HZ PHE A 433 77.544 0.088 3.044 1.00 0.00 H new ATOM 415 N TYR A 434 71.175 -3.840 6.170 1.00 0.00 N ATOM 416 CA TYR A 434 70.497 -3.627 7.484 1.00 0.00 C ATOM 417 C TYR A 434 70.804 -4.793 8.427 1.00 0.00 C ATOM 418 O TYR A 434 71.272 -5.834 8.010 1.00 0.00 O ATOM 419 CB TYR A 434 68.998 -3.575 7.165 1.00 0.00 C ATOM 420 CG TYR A 434 68.763 -2.742 5.924 1.00 0.00 C ATOM 421 CD1 TYR A 434 68.997 -1.361 5.951 1.00 0.00 C ATOM 422 CD2 TYR A 434 68.316 -3.353 4.747 1.00 0.00 C ATOM 423 CE1 TYR A 434 68.784 -0.593 4.800 1.00 0.00 C ATOM 424 CE2 TYR A 434 68.103 -2.585 3.597 1.00 0.00 C ATOM 425 CZ TYR A 434 68.336 -1.205 3.623 1.00 0.00 C ATOM 426 OH TYR A 434 68.125 -0.449 2.488 1.00 0.00 O ATOM 0 H TYR A 434 70.610 -4.308 5.462 1.00 0.00 H new ATOM 0 HA TYR A 434 70.835 -2.716 7.978 1.00 0.00 H new ATOM 0 HB2 TYR A 434 68.614 -4.584 7.014 1.00 0.00 H new ATOM 0 HB3 TYR A 434 68.453 -3.150 8.008 1.00 0.00 H new ATOM 0 HD1 TYR A 434 69.342 -0.889 6.859 1.00 0.00 H new ATOM 0 HD2 TYR A 434 68.135 -4.418 4.726 1.00 0.00 H new ATOM 0 HE1 TYR A 434 68.965 0.471 4.820 1.00 0.00 H new ATOM 0 HE2 TYR A 434 67.759 -3.057 2.689 1.00 0.00 H new ATOM 0 HH TYR A 434 67.816 -1.029 1.761 1.00 0.00 H new ATOM 436 N SER A 435 70.546 -4.625 9.697 1.00 0.00 N ATOM 437 CA SER A 435 70.825 -5.722 10.669 1.00 0.00 C ATOM 438 C SER A 435 69.595 -6.622 10.822 1.00 0.00 C ATOM 439 O SER A 435 69.707 -7.794 11.125 1.00 0.00 O ATOM 440 CB SER A 435 71.136 -5.013 11.986 1.00 0.00 C ATOM 441 OG SER A 435 72.035 -5.809 12.747 1.00 0.00 O ATOM 0 H SER A 435 70.154 -3.775 10.103 1.00 0.00 H new ATOM 0 HA SER A 435 71.646 -6.361 10.345 1.00 0.00 H new ATOM 0 HB2 SER A 435 71.575 -4.034 11.791 1.00 0.00 H new ATOM 0 HB3 SER A 435 70.217 -4.844 12.547 1.00 0.00 H new ATOM 0 HG SER A 435 72.238 -5.356 13.592 1.00 0.00 H new ATOM 447 N THR A 436 68.424 -6.082 10.614 1.00 0.00 N ATOM 448 CA THR A 436 67.188 -6.907 10.749 1.00 0.00 C ATOM 449 C THR A 436 66.762 -7.462 9.385 1.00 0.00 C ATOM 450 O THR A 436 65.619 -7.823 9.182 1.00 0.00 O ATOM 451 CB THR A 436 66.129 -5.945 11.290 1.00 0.00 C ATOM 452 OG1 THR A 436 66.089 -4.780 10.476 1.00 0.00 O ATOM 453 CG2 THR A 436 66.478 -5.554 12.726 1.00 0.00 C ATOM 0 H THR A 436 68.270 -5.107 10.357 1.00 0.00 H new ATOM 0 HA THR A 436 67.337 -7.765 11.405 1.00 0.00 H new ATOM 0 HB THR A 436 65.154 -6.432 11.276 1.00 0.00 H new ATOM 0 HG1 THR A 436 65.410 -4.163 10.820 1.00 0.00 H new ATOM 0 HG21 THR A 436 65.723 -4.869 13.110 1.00 0.00 H new ATOM 0 HG22 THR A 436 66.508 -6.448 13.349 1.00 0.00 H new ATOM 0 HG23 THR A 436 67.453 -5.067 12.744 1.00 0.00 H new ATOM 461 N GLU A 437 67.673 -7.535 8.450 1.00 0.00 N ATOM 462 CA GLU A 437 67.320 -8.070 7.103 1.00 0.00 C ATOM 463 C GLU A 437 68.326 -9.145 6.682 1.00 0.00 C ATOM 464 O GLU A 437 69.519 -8.995 6.862 1.00 0.00 O ATOM 465 CB GLU A 437 67.400 -6.867 6.161 1.00 0.00 C ATOM 466 CG GLU A 437 66.290 -5.871 6.505 1.00 0.00 C ATOM 467 CD GLU A 437 65.056 -6.164 5.649 1.00 0.00 C ATOM 468 OE1 GLU A 437 65.228 -6.439 4.473 1.00 0.00 O ATOM 469 OE2 GLU A 437 63.962 -6.109 6.185 1.00 0.00 O ATOM 0 H GLU A 437 68.645 -7.247 8.561 1.00 0.00 H new ATOM 0 HA GLU A 437 66.333 -8.532 7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 437 68.374 -6.386 6.250 1.00 0.00 H new ATOM 0 HB3 GLU A 437 67.300 -7.195 5.126 1.00 0.00 H new ATOM 0 HG2 GLU A 437 66.037 -5.943 7.563 1.00 0.00 H new ATOM 0 HG3 GLU A 437 66.634 -4.852 6.329 1.00 0.00 H new ATOM 476 N LEU A 438 67.854 -10.227 6.124 1.00 0.00 N ATOM 477 CA LEU A 438 68.783 -11.312 5.692 1.00 0.00 C ATOM 478 C LEU A 438 68.642 -11.561 4.188 1.00 0.00 C ATOM 479 O LEU A 438 67.638 -12.065 3.724 1.00 0.00 O ATOM 480 CB LEU A 438 68.350 -12.547 6.487 1.00 0.00 C ATOM 481 CG LEU A 438 69.381 -12.853 7.582 1.00 0.00 C ATOM 482 CD1 LEU A 438 70.737 -13.167 6.943 1.00 0.00 C ATOM 483 CD2 LEU A 438 69.520 -11.642 8.510 1.00 0.00 C ATOM 0 H LEU A 438 66.865 -10.407 5.948 1.00 0.00 H new ATOM 0 HA LEU A 438 69.827 -11.059 5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 438 67.371 -12.377 6.935 1.00 0.00 H new ATOM 0 HB3 LEU A 438 68.251 -13.403 5.820 1.00 0.00 H new ATOM 0 HG LEU A 438 69.047 -13.715 8.159 1.00 0.00 H new ATOM 0 HD11 LEU A 438 71.466 -13.384 7.724 1.00 0.00 H new ATOM 0 HD12 LEU A 438 70.639 -14.033 6.288 1.00 0.00 H new ATOM 0 HD13 LEU A 438 71.073 -12.308 6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 438 70.252 -11.861 9.287 1.00 0.00 H new ATOM 0 HD22 LEU A 438 69.850 -10.778 7.933 1.00 0.00 H new ATOM 0 HD23 LEU A 438 68.556 -11.424 8.971 1.00 0.00 H new ATOM 495 N ASN A 439 69.645 -11.212 3.425 1.00 0.00 N ATOM 496 CA ASN A 439 69.583 -11.426 1.946 1.00 0.00 C ATOM 497 C ASN A 439 68.296 -10.830 1.366 1.00 0.00 C ATOM 498 O ASN A 439 67.640 -11.435 0.539 1.00 0.00 O ATOM 499 CB ASN A 439 69.603 -12.941 1.762 1.00 0.00 C ATOM 500 CG ASN A 439 70.943 -13.497 2.246 1.00 0.00 C ATOM 501 OD1 ASN A 439 71.148 -13.677 3.429 1.00 0.00 O ATOM 502 ND2 ASN A 439 71.872 -13.780 1.373 1.00 0.00 N ATOM 0 H ASN A 439 70.508 -10.786 3.763 1.00 0.00 H new ATOM 0 HA ASN A 439 70.411 -10.940 1.430 1.00 0.00 H new ATOM 0 HB2 ASN A 439 68.785 -13.396 2.321 1.00 0.00 H new ATOM 0 HB3 ASN A 439 69.451 -13.192 0.712 1.00 0.00 H new ATOM 0 HD21 ASN A 439 72.769 -14.152 1.685 1.00 0.00 H new ATOM 0 HD22 ASN A 439 71.701 -13.629 0.379 1.00 0.00 H new ATOM 509 N LYS A 440 67.929 -9.650 1.793 1.00 0.00 N ATOM 510 CA LYS A 440 66.685 -9.017 1.263 1.00 0.00 C ATOM 511 C LYS A 440 66.612 -7.543 1.688 1.00 0.00 C ATOM 512 O LYS A 440 66.920 -7.211 2.816 1.00 0.00 O ATOM 513 CB LYS A 440 65.535 -9.814 1.886 1.00 0.00 C ATOM 514 CG LYS A 440 65.606 -9.721 3.413 1.00 0.00 C ATOM 515 CD LYS A 440 64.959 -10.961 4.031 1.00 0.00 C ATOM 516 CE LYS A 440 63.436 -10.820 3.985 1.00 0.00 C ATOM 517 NZ LYS A 440 62.932 -12.186 3.670 1.00 0.00 N ATOM 0 H LYS A 440 68.436 -9.098 2.485 1.00 0.00 H new ATOM 0 HA LYS A 440 66.648 -9.033 0.174 1.00 0.00 H new ATOM 0 HB2 LYS A 440 64.579 -9.427 1.533 1.00 0.00 H new ATOM 0 HB3 LYS A 440 65.592 -10.857 1.573 1.00 0.00 H new ATOM 0 HG2 LYS A 440 66.644 -9.641 3.735 1.00 0.00 H new ATOM 0 HG3 LYS A 440 65.095 -8.822 3.757 1.00 0.00 H new ATOM 0 HD2 LYS A 440 65.269 -11.854 3.488 1.00 0.00 H new ATOM 0 HD3 LYS A 440 65.292 -11.083 5.062 1.00 0.00 H new ATOM 0 HE2 LYS A 440 63.044 -10.464 4.938 1.00 0.00 H new ATOM 0 HE3 LYS A 440 63.129 -10.101 3.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 61.893 -12.170 3.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 63.317 -12.495 2.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 63.234 -12.847 4.414 1.00 0.00 H new ATOM 531 N PRO A 441 66.203 -6.702 0.768 1.00 0.00 N ATOM 532 CA PRO A 441 66.089 -5.251 1.065 1.00 0.00 C ATOM 533 C PRO A 441 64.893 -4.979 1.983 1.00 0.00 C ATOM 534 O PRO A 441 63.853 -5.596 1.863 1.00 0.00 O ATOM 535 CB PRO A 441 65.871 -4.618 -0.307 1.00 0.00 C ATOM 536 CG PRO A 441 65.284 -5.706 -1.149 1.00 0.00 C ATOM 537 CD PRO A 441 65.813 -7.012 -0.615 1.00 0.00 C ATOM 0 HA PRO A 441 66.963 -4.854 1.581 1.00 0.00 H new ATOM 0 HB2 PRO A 441 65.199 -3.762 -0.244 1.00 0.00 H new ATOM 0 HB3 PRO A 441 66.809 -4.256 -0.728 1.00 0.00 H new ATOM 0 HG2 PRO A 441 64.195 -5.684 -1.103 1.00 0.00 H new ATOM 0 HG3 PRO A 441 65.562 -5.576 -2.195 1.00 0.00 H new ATOM 0 HD2 PRO A 441 65.054 -7.794 -0.650 1.00 0.00 H new ATOM 0 HD3 PRO A 441 66.662 -7.367 -1.199 1.00 0.00 H new ATOM 545 N ALA A 442 65.035 -4.053 2.894 1.00 0.00 N ATOM 546 CA ALA A 442 63.909 -3.731 3.819 1.00 0.00 C ATOM 547 C ALA A 442 63.041 -2.623 3.216 1.00 0.00 C ATOM 548 O ALA A 442 63.106 -1.478 3.622 1.00 0.00 O ATOM 549 CB ALA A 442 64.579 -3.251 5.107 1.00 0.00 C ATOM 0 H ALA A 442 65.883 -3.505 3.038 1.00 0.00 H new ATOM 0 HA ALA A 442 63.258 -4.586 3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 442 63.815 -2.994 5.841 1.00 0.00 H new ATOM 0 HB2 ALA A 442 65.212 -4.044 5.505 1.00 0.00 H new ATOM 0 HB3 ALA A 442 65.188 -2.373 4.895 1.00 0.00 H new ATOM 555 N MET A 443 62.232 -2.955 2.246 1.00 0.00 N ATOM 556 CA MET A 443 61.361 -1.925 1.605 1.00 0.00 C ATOM 557 C MET A 443 60.458 -1.260 2.648 1.00 0.00 C ATOM 558 O MET A 443 59.940 -1.906 3.538 1.00 0.00 O ATOM 559 CB MET A 443 60.516 -2.689 0.587 1.00 0.00 C ATOM 560 CG MET A 443 61.352 -2.978 -0.663 1.00 0.00 C ATOM 561 SD MET A 443 60.318 -2.806 -2.139 1.00 0.00 S ATOM 562 CE MET A 443 59.398 -4.353 -1.953 1.00 0.00 C ATOM 0 H MET A 443 62.136 -3.898 1.868 1.00 0.00 H new ATOM 0 HA MET A 443 61.948 -1.133 1.140 1.00 0.00 H new ATOM 0 HB2 MET A 443 60.160 -3.623 1.023 1.00 0.00 H new ATOM 0 HB3 MET A 443 59.635 -2.106 0.320 1.00 0.00 H new ATOM 0 HG2 MET A 443 62.196 -2.290 -0.716 1.00 0.00 H new ATOM 0 HG3 MET A 443 61.765 -3.985 -0.612 1.00 0.00 H new ATOM 0 HE1 MET A 443 59.650 -5.027 -2.772 1.00 0.00 H new ATOM 0 HE2 MET A 443 59.661 -4.821 -1.004 1.00 0.00 H new ATOM 0 HE3 MET A 443 58.328 -4.144 -1.970 1.00 0.00 H new ATOM 572 N ILE A 444 60.262 0.024 2.536 1.00 0.00 N ATOM 573 CA ILE A 444 59.388 0.744 3.505 1.00 0.00 C ATOM 574 C ILE A 444 58.024 1.026 2.869 1.00 0.00 C ATOM 575 O ILE A 444 57.814 0.781 1.695 1.00 0.00 O ATOM 576 CB ILE A 444 60.123 2.050 3.815 1.00 0.00 C ATOM 577 CG1 ILE A 444 60.345 2.842 2.522 1.00 0.00 C ATOM 578 CG2 ILE A 444 61.475 1.736 4.455 1.00 0.00 C ATOM 579 CD1 ILE A 444 60.603 4.311 2.860 1.00 0.00 C ATOM 0 H ILE A 444 60.673 0.610 1.809 1.00 0.00 H new ATOM 0 HA ILE A 444 59.204 0.163 4.409 1.00 0.00 H new ATOM 0 HB ILE A 444 59.521 2.644 4.503 1.00 0.00 H new ATOM 0 HG12 ILE A 444 61.191 2.431 1.972 1.00 0.00 H new ATOM 0 HG13 ILE A 444 59.472 2.755 1.875 1.00 0.00 H new ATOM 0 HG21 ILE A 444 61.998 2.667 4.676 1.00 0.00 H new ATOM 0 HG22 ILE A 444 61.320 1.179 5.379 1.00 0.00 H new ATOM 0 HG23 ILE A 444 62.073 1.138 3.767 1.00 0.00 H new ATOM 0 HD11 ILE A 444 60.761 4.874 1.940 1.00 0.00 H new ATOM 0 HD12 ILE A 444 59.743 4.718 3.392 1.00 0.00 H new ATOM 0 HD13 ILE A 444 61.489 4.389 3.490 1.00 0.00 H new ATOM 591 N TYR A 445 57.098 1.541 3.634 1.00 0.00 N ATOM 592 CA TYR A 445 55.745 1.840 3.080 1.00 0.00 C ATOM 593 C TYR A 445 55.695 3.270 2.531 1.00 0.00 C ATOM 594 O TYR A 445 56.324 4.168 3.054 1.00 0.00 O ATOM 595 CB TYR A 445 54.793 1.690 4.268 1.00 0.00 C ATOM 596 CG TYR A 445 53.400 1.402 3.765 1.00 0.00 C ATOM 597 CD1 TYR A 445 52.608 2.442 3.264 1.00 0.00 C ATOM 598 CD2 TYR A 445 52.900 0.094 3.800 1.00 0.00 C ATOM 599 CE1 TYR A 445 51.314 2.175 2.799 1.00 0.00 C ATOM 600 CE2 TYR A 445 51.606 -0.173 3.333 1.00 0.00 C ATOM 601 CZ TYR A 445 50.814 0.868 2.833 1.00 0.00 C ATOM 602 OH TYR A 445 49.539 0.605 2.374 1.00 0.00 O ATOM 0 H TYR A 445 57.221 1.768 4.621 1.00 0.00 H new ATOM 0 HA TYR A 445 55.482 1.177 2.255 1.00 0.00 H new ATOM 0 HB2 TYR A 445 55.130 0.883 4.918 1.00 0.00 H new ATOM 0 HB3 TYR A 445 54.794 2.602 4.865 1.00 0.00 H new ATOM 0 HD1 TYR A 445 52.995 3.450 3.236 1.00 0.00 H new ATOM 0 HD2 TYR A 445 53.511 -0.708 4.187 1.00 0.00 H new ATOM 0 HE1 TYR A 445 50.702 2.977 2.414 1.00 0.00 H new ATOM 0 HE2 TYR A 445 51.220 -1.181 3.359 1.00 0.00 H new ATOM 0 HH TYR A 445 49.349 -0.352 2.467 1.00 0.00 H new ATOM 612 N CYS A 446 54.947 3.484 1.481 1.00 0.00 N ATOM 613 CA CYS A 446 54.848 4.853 0.893 1.00 0.00 C ATOM 614 C CYS A 446 53.538 5.519 1.327 1.00 0.00 C ATOM 615 O CYS A 446 52.547 4.859 1.567 1.00 0.00 O ATOM 616 CB CYS A 446 54.865 4.629 -0.621 1.00 0.00 C ATOM 617 SG CYS A 446 54.771 6.221 -1.478 1.00 0.00 S ATOM 0 H CYS A 446 54.399 2.768 1.004 1.00 0.00 H new ATOM 0 HA CYS A 446 55.657 5.507 1.218 1.00 0.00 H new ATOM 0 HB2 CYS A 446 55.775 4.103 -0.910 1.00 0.00 H new ATOM 0 HB3 CYS A 446 54.026 3.998 -0.914 1.00 0.00 H new ATOM 0 HG CYS A 446 54.491 6.023 -2.732 1.00 0.00 H new ATOM 622 N SER A 447 53.528 6.822 1.427 1.00 0.00 N ATOM 623 CA SER A 447 52.283 7.531 1.846 1.00 0.00 C ATOM 624 C SER A 447 51.517 8.033 0.618 1.00 0.00 C ATOM 625 O SER A 447 51.125 9.182 0.547 1.00 0.00 O ATOM 626 CB SER A 447 52.764 8.708 2.693 1.00 0.00 C ATOM 627 OG SER A 447 51.644 9.482 3.101 1.00 0.00 O ATOM 0 H SER A 447 54.328 7.426 1.237 1.00 0.00 H new ATOM 0 HA SER A 447 51.605 6.880 2.398 1.00 0.00 H new ATOM 0 HB2 SER A 447 53.307 8.345 3.566 1.00 0.00 H new ATOM 0 HB3 SER A 447 53.457 9.324 2.120 1.00 0.00 H new ATOM 0 HG SER A 447 51.457 10.167 2.426 1.00 0.00 H new ATOM 633 N HIS A 448 51.299 7.179 -0.348 1.00 0.00 N ATOM 634 CA HIS A 448 50.557 7.606 -1.569 1.00 0.00 C ATOM 635 C HIS A 448 49.117 7.084 -1.522 1.00 0.00 C ATOM 636 O HIS A 448 48.693 6.499 -0.547 1.00 0.00 O ATOM 637 CB HIS A 448 51.321 6.973 -2.735 1.00 0.00 C ATOM 638 CG HIS A 448 51.122 7.802 -3.975 1.00 0.00 C ATOM 639 ND1 HIS A 448 51.663 9.071 -4.111 1.00 0.00 N ATOM 640 CD2 HIS A 448 50.444 7.556 -5.143 1.00 0.00 C ATOM 641 CE1 HIS A 448 51.305 9.537 -5.321 1.00 0.00 C ATOM 642 NE2 HIS A 448 50.561 8.653 -5.992 1.00 0.00 N ATOM 0 H HIS A 448 51.603 6.205 -0.343 1.00 0.00 H new ATOM 0 HA HIS A 448 50.498 8.691 -1.661 1.00 0.00 H new ATOM 0 HB2 HIS A 448 52.382 6.907 -2.495 1.00 0.00 H new ATOM 0 HB3 HIS A 448 50.969 5.955 -2.905 1.00 0.00 H new ATOM 0 HD2 HIS A 448 49.902 6.649 -5.369 1.00 0.00 H new ATOM 0 HE1 HIS A 448 51.585 10.507 -5.704 1.00 0.00 H new ATOM 0 HE2 HIS A 448 50.164 8.759 -6.926 1.00 0.00 H new ATOM 650 N GLY A 449 48.364 7.291 -2.572 1.00 0.00 N ATOM 651 CA GLY A 449 46.952 6.807 -2.591 1.00 0.00 C ATOM 652 C GLY A 449 46.924 5.295 -2.354 1.00 0.00 C ATOM 653 O GLY A 449 46.629 4.834 -1.268 1.00 0.00 O ATOM 0 H GLY A 449 48.667 7.775 -3.417 1.00 0.00 H new ATOM 0 HA2 GLY A 449 46.372 7.317 -1.822 1.00 0.00 H new ATOM 0 HA3 GLY A 449 46.489 7.044 -3.549 1.00 0.00 H new ATOM 657 N ASP A 450 47.232 4.520 -3.360 1.00 0.00 N ATOM 658 CA ASP A 450 47.229 3.037 -3.192 1.00 0.00 C ATOM 659 C ASP A 450 48.245 2.630 -2.122 1.00 0.00 C ATOM 660 O ASP A 450 48.078 1.639 -1.437 1.00 0.00 O ATOM 661 CB ASP A 450 47.634 2.479 -4.557 1.00 0.00 C ATOM 662 CG ASP A 450 47.225 1.009 -4.651 1.00 0.00 C ATOM 663 OD1 ASP A 450 46.092 0.753 -5.023 1.00 0.00 O ATOM 664 OD2 ASP A 450 48.051 0.163 -4.348 1.00 0.00 O ATOM 0 H ASP A 450 47.486 4.850 -4.291 1.00 0.00 H new ATOM 0 HA ASP A 450 46.258 2.658 -2.873 1.00 0.00 H new ATOM 0 HB2 ASP A 450 47.156 3.052 -5.352 1.00 0.00 H new ATOM 0 HB3 ASP A 450 48.711 2.577 -4.697 1.00 0.00 H new ATOM 669 N GLY A 451 49.294 3.392 -1.975 1.00 0.00 N ATOM 670 CA GLY A 451 50.325 3.060 -0.951 1.00 0.00 C ATOM 671 C GLY A 451 51.061 1.782 -1.353 1.00 0.00 C ATOM 672 O GLY A 451 50.500 0.703 -1.354 1.00 0.00 O ATOM 0 H GLY A 451 49.482 4.233 -2.521 1.00 0.00 H new ATOM 0 HA2 GLY A 451 51.033 3.883 -0.854 1.00 0.00 H new ATOM 0 HA3 GLY A 451 49.854 2.928 0.023 1.00 0.00 H new ATOM 676 N HIS A 452 52.316 1.898 -1.684 1.00 0.00 N ATOM 677 CA HIS A 452 53.104 0.694 -2.076 1.00 0.00 C ATOM 678 C HIS A 452 54.400 0.617 -1.277 1.00 0.00 C ATOM 679 O HIS A 452 54.698 1.465 -0.458 1.00 0.00 O ATOM 680 CB HIS A 452 53.399 0.824 -3.572 1.00 0.00 C ATOM 681 CG HIS A 452 54.371 1.945 -3.834 1.00 0.00 C ATOM 682 ND1 HIS A 452 54.422 3.253 -3.414 1.00 0.00 N flip ATOM 683 CD2 HIS A 452 55.495 1.764 -4.628 1.00 0.00 C flip ATOM 684 CE1 HIS A 452 55.550 3.863 -3.927 1.00 0.00 C flip ATOM 685 NE2 HIS A 452 56.166 2.929 -4.651 1.00 0.00 N flip ATOM 0 H HIS A 452 52.833 2.777 -1.700 1.00 0.00 H new ATOM 0 HA HIS A 452 52.546 -0.219 -1.869 1.00 0.00 H new ATOM 0 HB2 HIS A 452 53.809 -0.113 -3.948 1.00 0.00 H new ATOM 0 HB3 HIS A 452 52.472 1.007 -4.115 1.00 0.00 H new ATOM 0 HD2 HIS A 452 55.779 0.854 -5.135 1.00 0.00 H new ATOM 0 HE1 HIS A 452 55.867 4.884 -3.773 1.00 0.00 H new ATOM 0 HE2 HIS A 452 57.038 3.079 -5.159 1.00 0.00 H new ATOM 693 N TRP A 453 55.156 -0.412 -1.505 1.00 0.00 N ATOM 694 CA TRP A 453 56.432 -0.592 -0.762 1.00 0.00 C ATOM 695 C TRP A 453 57.640 -0.287 -1.658 1.00 0.00 C ATOM 696 O TRP A 453 57.624 -0.541 -2.846 1.00 0.00 O ATOM 697 CB TRP A 453 56.420 -2.064 -0.363 1.00 0.00 C ATOM 698 CG TRP A 453 55.639 -2.233 0.902 1.00 0.00 C ATOM 699 CD1 TRP A 453 54.302 -2.058 1.015 1.00 0.00 C ATOM 700 CD2 TRP A 453 56.117 -2.605 2.227 1.00 0.00 C ATOM 701 NE1 TRP A 453 53.929 -2.299 2.325 1.00 0.00 N ATOM 702 CE2 TRP A 453 55.011 -2.639 3.111 1.00 0.00 C ATOM 703 CE3 TRP A 453 57.389 -2.913 2.745 1.00 0.00 C ATOM 704 CZ2 TRP A 453 55.162 -2.966 4.459 1.00 0.00 C ATOM 705 CZ3 TRP A 453 57.543 -3.243 4.102 1.00 0.00 C ATOM 706 CH2 TRP A 453 56.431 -3.270 4.957 1.00 0.00 C ATOM 0 H TRP A 453 54.945 -1.146 -2.181 1.00 0.00 H new ATOM 0 HA TRP A 453 56.514 0.079 0.093 1.00 0.00 H new ATOM 0 HB2 TRP A 453 55.978 -2.664 -1.159 1.00 0.00 H new ATOM 0 HB3 TRP A 453 57.440 -2.422 -0.224 1.00 0.00 H new ATOM 0 HD1 TRP A 453 53.635 -1.776 0.214 1.00 0.00 H new ATOM 0 HE1 TRP A 453 52.971 -2.233 2.668 1.00 0.00 H new ATOM 0 HE3 TRP A 453 58.252 -2.896 2.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 453 54.303 -2.984 5.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 453 58.524 -3.477 4.489 1.00 0.00 H new ATOM 0 HH2 TRP A 453 56.556 -3.526 5.999 1.00 0.00 H new ATOM 717 N VAL A 454 58.692 0.249 -1.089 1.00 0.00 N ATOM 718 CA VAL A 454 59.912 0.564 -1.900 1.00 0.00 C ATOM 719 C VAL A 454 61.170 0.448 -1.029 1.00 0.00 C ATOM 720 O VAL A 454 61.141 0.727 0.151 1.00 0.00 O ATOM 721 CB VAL A 454 59.733 2.008 -2.382 1.00 0.00 C ATOM 722 CG1 VAL A 454 58.614 2.077 -3.417 1.00 0.00 C ATOM 723 CG2 VAL A 454 59.381 2.911 -1.205 1.00 0.00 C ATOM 0 H VAL A 454 58.760 0.482 -0.098 1.00 0.00 H new ATOM 0 HA VAL A 454 60.029 -0.126 -2.735 1.00 0.00 H new ATOM 0 HB VAL A 454 60.667 2.344 -2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 454 58.493 3.106 -3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 454 58.866 1.444 -4.268 1.00 0.00 H new ATOM 0 HG13 VAL A 454 57.683 1.730 -2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 454 59.256 3.935 -1.557 1.00 0.00 H new ATOM 0 HG22 VAL A 454 58.453 2.568 -0.748 1.00 0.00 H new ATOM 0 HG23 VAL A 454 60.183 2.876 -0.467 1.00 0.00 H new ATOM 733 N HIS A 455 62.273 0.037 -1.603 1.00 0.00 N ATOM 734 CA HIS A 455 63.539 -0.100 -0.808 1.00 0.00 C ATOM 735 C HIS A 455 63.808 1.173 0.001 1.00 0.00 C ATOM 736 O HIS A 455 63.324 2.240 -0.323 1.00 0.00 O ATOM 737 CB HIS A 455 64.656 -0.311 -1.840 1.00 0.00 C ATOM 738 CG HIS A 455 64.293 -1.428 -2.765 1.00 0.00 C ATOM 739 ND1 HIS A 455 64.213 -1.258 -4.153 1.00 0.00 N ATOM 740 CD2 HIS A 455 63.949 -2.726 -2.520 1.00 0.00 C ATOM 741 CE1 HIS A 455 63.821 -2.439 -4.681 1.00 0.00 C ATOM 742 NE2 HIS A 455 63.656 -3.337 -3.722 1.00 0.00 N ATOM 0 H HIS A 455 62.355 -0.211 -2.589 1.00 0.00 H new ATOM 0 HA HIS A 455 63.476 -0.926 -0.099 1.00 0.00 H new ATOM 0 HB2 HIS A 455 64.815 0.605 -2.408 1.00 0.00 H new ATOM 0 HB3 HIS A 455 65.593 -0.538 -1.332 1.00 0.00 H new ATOM 0 HD1 HIS A 455 64.413 -0.402 -4.670 1.00 0.00 H new ATOM 0 HD2 HIS A 455 63.912 -3.196 -1.548 1.00 0.00 H new ATOM 0 HE1 HIS A 455 63.665 -2.624 -5.734 1.00 0.00 H new ATOM 0 HE2 HIS A 455 63.365 -4.306 -3.849 1.00 0.00 H new ATOM 750 N ALA A 456 64.583 1.067 1.048 1.00 0.00 N ATOM 751 CA ALA A 456 64.892 2.268 1.875 1.00 0.00 C ATOM 752 C ALA A 456 66.194 2.912 1.398 1.00 0.00 C ATOM 753 O ALA A 456 66.246 4.092 1.111 1.00 0.00 O ATOM 754 CB ALA A 456 65.044 1.738 3.302 1.00 0.00 C ATOM 0 H ALA A 456 65.015 0.199 1.366 1.00 0.00 H new ATOM 0 HA ALA A 456 64.116 3.031 1.806 1.00 0.00 H new ATOM 0 HB1 ALA A 456 65.273 2.565 3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 456 64.114 1.263 3.615 1.00 0.00 H new ATOM 0 HB3 ALA A 456 65.853 1.008 3.335 1.00 0.00 H new ATOM 760 N GLN A 457 67.248 2.144 1.306 1.00 0.00 N ATOM 761 CA GLN A 457 68.552 2.708 0.844 1.00 0.00 C ATOM 762 C GLN A 457 68.378 3.392 -0.516 1.00 0.00 C ATOM 763 O GLN A 457 69.080 4.330 -0.843 1.00 0.00 O ATOM 764 CB GLN A 457 69.487 1.502 0.725 1.00 0.00 C ATOM 765 CG GLN A 457 70.863 1.959 0.227 1.00 0.00 C ATOM 766 CD GLN A 457 71.288 1.100 -0.966 1.00 0.00 C ATOM 767 OE1 GLN A 457 72.370 0.549 -0.976 1.00 0.00 O ATOM 768 NE2 GLN A 457 70.477 0.964 -1.979 1.00 0.00 N ATOM 0 H GLN A 457 67.263 1.149 1.531 1.00 0.00 H new ATOM 0 HA GLN A 457 68.944 3.459 1.529 1.00 0.00 H new ATOM 0 HB2 GLN A 457 69.585 1.010 1.692 1.00 0.00 H new ATOM 0 HB3 GLN A 457 69.065 0.770 0.036 1.00 0.00 H new ATOM 0 HG2 GLN A 457 70.826 3.009 -0.063 1.00 0.00 H new ATOM 0 HG3 GLN A 457 71.597 1.875 1.028 1.00 0.00 H new ATOM 0 HE21 GLN A 457 69.568 1.427 -1.970 1.00 0.00 H new ATOM 0 HE22 GLN A 457 70.752 0.395 -2.779 1.00 0.00 H new ATOM 777 N CYS A 458 67.445 2.933 -1.307 1.00 0.00 N ATOM 778 CA CYS A 458 67.223 3.561 -2.644 1.00 0.00 C ATOM 779 C CYS A 458 66.808 5.025 -2.473 1.00 0.00 C ATOM 780 O CYS A 458 67.034 5.849 -3.339 1.00 0.00 O ATOM 781 CB CYS A 458 66.089 2.753 -3.281 1.00 0.00 C ATOM 782 SG CYS A 458 66.768 1.259 -4.045 1.00 0.00 S ATOM 0 H CYS A 458 66.827 2.152 -1.086 1.00 0.00 H new ATOM 0 HA CYS A 458 68.122 3.553 -3.260 1.00 0.00 H new ATOM 0 HB2 CYS A 458 65.350 2.485 -2.526 1.00 0.00 H new ATOM 0 HB3 CYS A 458 65.575 3.356 -4.030 1.00 0.00 H new ATOM 0 HG CYS A 458 66.139 1.016 -5.157 1.00 0.00 H new ATOM 787 N MET A 459 66.204 5.354 -1.361 1.00 0.00 N ATOM 788 CA MET A 459 65.775 6.763 -1.129 1.00 0.00 C ATOM 789 C MET A 459 66.821 7.500 -0.287 1.00 0.00 C ATOM 790 O MET A 459 66.500 8.393 0.473 1.00 0.00 O ATOM 791 CB MET A 459 64.453 6.653 -0.366 1.00 0.00 C ATOM 792 CG MET A 459 63.286 6.606 -1.361 1.00 0.00 C ATOM 793 SD MET A 459 62.426 5.019 -1.221 1.00 0.00 S ATOM 794 CE MET A 459 61.806 4.948 -2.919 1.00 0.00 C ATOM 0 H MET A 459 65.989 4.706 -0.603 1.00 0.00 H new ATOM 0 HA MET A 459 65.664 7.321 -2.059 1.00 0.00 H new ATOM 0 HB2 MET A 459 64.452 5.756 0.253 1.00 0.00 H new ATOM 0 HB3 MET A 459 64.337 7.504 0.306 1.00 0.00 H new ATOM 0 HG2 MET A 459 62.594 7.424 -1.163 1.00 0.00 H new ATOM 0 HG3 MET A 459 63.657 6.741 -2.377 1.00 0.00 H new ATOM 0 HE1 MET A 459 61.161 4.077 -3.035 1.00 0.00 H new ATOM 0 HE2 MET A 459 61.238 5.852 -3.137 1.00 0.00 H new ATOM 0 HE3 MET A 459 62.646 4.872 -3.610 1.00 0.00 H new ATOM 804 N ASP A 460 68.069 7.130 -0.416 1.00 0.00 N ATOM 805 CA ASP A 460 69.144 7.804 0.376 1.00 0.00 C ATOM 806 C ASP A 460 68.808 7.771 1.871 1.00 0.00 C ATOM 807 O ASP A 460 68.766 8.792 2.531 1.00 0.00 O ATOM 808 CB ASP A 460 69.176 9.247 -0.135 1.00 0.00 C ATOM 809 CG ASP A 460 70.627 9.725 -0.226 1.00 0.00 C ATOM 810 OD1 ASP A 460 71.237 9.903 0.815 1.00 0.00 O ATOM 811 OD2 ASP A 460 71.103 9.904 -1.336 1.00 0.00 O ATOM 0 H ASP A 460 68.392 6.388 -1.037 1.00 0.00 H new ATOM 0 HA ASP A 460 70.108 7.310 0.258 1.00 0.00 H new ATOM 0 HB2 ASP A 460 68.700 9.308 -1.114 1.00 0.00 H new ATOM 0 HB3 ASP A 460 68.610 9.894 0.535 1.00 0.00 H new ATOM 816 N LEU A 461 68.569 6.604 2.410 1.00 0.00 N ATOM 817 CA LEU A 461 68.238 6.502 3.861 1.00 0.00 C ATOM 818 C LEU A 461 69.382 5.819 4.617 1.00 0.00 C ATOM 819 O LEU A 461 70.345 5.368 4.026 1.00 0.00 O ATOM 820 CB LEU A 461 66.970 5.646 3.920 1.00 0.00 C ATOM 821 CG LEU A 461 65.787 6.503 4.375 1.00 0.00 C ATOM 822 CD1 LEU A 461 65.236 7.287 3.184 1.00 0.00 C ATOM 823 CD2 LEU A 461 64.691 5.597 4.940 1.00 0.00 C ATOM 0 H LEU A 461 68.589 5.717 1.907 1.00 0.00 H new ATOM 0 HA LEU A 461 68.091 7.479 4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 461 66.764 5.217 2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 461 67.114 4.813 4.609 1.00 0.00 H new ATOM 0 HG LEU A 461 66.118 7.200 5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 461 64.393 7.897 3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 461 66.017 7.932 2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 461 64.905 6.592 2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 461 63.847 6.206 5.265 1.00 0.00 H new ATOM 0 HD22 LEU A 461 64.361 4.901 4.169 1.00 0.00 H new ATOM 0 HD23 LEU A 461 65.083 5.038 5.789 1.00 0.00 H new ATOM 835 N GLU A 462 69.281 5.739 5.916 1.00 0.00 N ATOM 836 CA GLU A 462 70.359 5.084 6.712 1.00 0.00 C ATOM 837 C GLU A 462 69.762 3.997 7.610 1.00 0.00 C ATOM 838 O GLU A 462 68.559 3.872 7.731 1.00 0.00 O ATOM 839 CB GLU A 462 70.966 6.205 7.557 1.00 0.00 C ATOM 840 CG GLU A 462 72.220 6.747 6.866 1.00 0.00 C ATOM 841 CD GLU A 462 71.864 8.010 6.079 1.00 0.00 C ATOM 842 OE1 GLU A 462 71.105 7.899 5.130 1.00 0.00 O ATOM 843 OE2 GLU A 462 72.356 9.067 6.437 1.00 0.00 O ATOM 0 H GLU A 462 68.498 6.099 6.461 1.00 0.00 H new ATOM 0 HA GLU A 462 71.105 4.602 6.081 1.00 0.00 H new ATOM 0 HB2 GLU A 462 70.239 7.006 7.694 1.00 0.00 H new ATOM 0 HB3 GLU A 462 71.218 5.831 8.549 1.00 0.00 H new ATOM 0 HG2 GLU A 462 72.988 6.971 7.606 1.00 0.00 H new ATOM 0 HG3 GLU A 462 72.634 5.993 6.196 1.00 0.00 H new ATOM 850 N GLU A 463 70.594 3.212 8.242 1.00 0.00 N ATOM 851 CA GLU A 463 70.071 2.133 9.133 1.00 0.00 C ATOM 852 C GLU A 463 69.272 2.747 10.287 1.00 0.00 C ATOM 853 O GLU A 463 68.312 2.173 10.762 1.00 0.00 O ATOM 854 CB GLU A 463 71.313 1.414 9.663 1.00 0.00 C ATOM 855 CG GLU A 463 70.888 0.166 10.438 1.00 0.00 C ATOM 856 CD GLU A 463 72.131 -0.594 10.905 1.00 0.00 C ATOM 857 OE1 GLU A 463 73.091 0.056 11.283 1.00 0.00 O ATOM 858 OE2 GLU A 463 72.102 -1.813 10.877 1.00 0.00 O ATOM 0 H GLU A 463 71.610 3.270 8.181 1.00 0.00 H new ATOM 0 HA GLU A 463 69.402 1.451 8.608 1.00 0.00 H new ATOM 0 HB2 GLU A 463 71.966 1.136 8.836 1.00 0.00 H new ATOM 0 HB3 GLU A 463 71.884 2.080 10.310 1.00 0.00 H new ATOM 0 HG2 GLU A 463 70.278 0.448 11.296 1.00 0.00 H new ATOM 0 HG3 GLU A 463 70.273 -0.475 9.807 1.00 0.00 H new ATOM 865 N ARG A 464 69.662 3.910 10.736 1.00 0.00 N ATOM 866 CA ARG A 464 68.925 4.563 11.857 1.00 0.00 C ATOM 867 C ARG A 464 67.566 5.071 11.372 1.00 0.00 C ATOM 868 O ARG A 464 66.540 4.757 11.943 1.00 0.00 O ATOM 869 CB ARG A 464 69.812 5.731 12.290 1.00 0.00 C ATOM 870 CG ARG A 464 70.781 5.260 13.377 1.00 0.00 C ATOM 871 CD ARG A 464 71.832 6.345 13.632 1.00 0.00 C ATOM 872 NE ARG A 464 72.790 5.736 14.595 1.00 0.00 N ATOM 873 CZ ARG A 464 73.629 6.493 15.247 1.00 0.00 C ATOM 874 NH1 ARG A 464 74.574 7.123 14.604 1.00 0.00 N ATOM 875 NH2 ARG A 464 73.523 6.620 16.541 1.00 0.00 N ATOM 0 H ARG A 464 70.458 4.436 10.376 1.00 0.00 H new ATOM 0 HA ARG A 464 68.731 3.874 12.679 1.00 0.00 H new ATOM 0 HB2 ARG A 464 70.367 6.116 11.435 1.00 0.00 H new ATOM 0 HB3 ARG A 464 69.197 6.549 12.666 1.00 0.00 H new ATOM 0 HG2 ARG A 464 70.236 5.044 14.296 1.00 0.00 H new ATOM 0 HG3 ARG A 464 71.267 4.334 13.069 1.00 0.00 H new ATOM 0 HD2 ARG A 464 72.332 6.635 12.708 1.00 0.00 H new ATOM 0 HD3 ARG A 464 71.377 7.246 14.044 1.00 0.00 H new ATOM 0 HE ARG A 464 72.790 4.727 14.745 1.00 0.00 H new ATOM 0 HH11 ARG A 464 74.656 7.023 13.592 1.00 0.00 H new ATOM 0 HH12 ARG A 464 75.230 7.715 15.113 1.00 0.00 H new ATOM 0 HH21 ARG A 464 72.784 6.127 17.043 1.00 0.00 H new ATOM 0 HH22 ARG A 464 74.179 7.212 17.051 1.00 0.00 H new ATOM 889 N THR A 465 67.549 5.851 10.321 1.00 0.00 N ATOM 890 CA THR A 465 66.251 6.378 9.797 1.00 0.00 C ATOM 891 C THR A 465 65.233 5.242 9.665 1.00 0.00 C ATOM 892 O THR A 465 64.063 5.412 9.940 1.00 0.00 O ATOM 893 CB THR A 465 66.583 6.968 8.425 1.00 0.00 C ATOM 894 OG1 THR A 465 67.622 7.927 8.562 1.00 0.00 O ATOM 895 CG2 THR A 465 65.338 7.640 7.841 1.00 0.00 C ATOM 0 H THR A 465 68.377 6.146 9.803 1.00 0.00 H new ATOM 0 HA THR A 465 65.810 7.122 10.461 1.00 0.00 H new ATOM 0 HB THR A 465 66.910 6.172 7.756 1.00 0.00 H new ATOM 0 HG1 THR A 465 67.837 8.304 7.683 1.00 0.00 H new ATOM 0 HG21 THR A 465 65.576 8.060 6.864 1.00 0.00 H new ATOM 0 HG22 THR A 465 64.542 6.903 7.735 1.00 0.00 H new ATOM 0 HG23 THR A 465 65.008 8.437 8.508 1.00 0.00 H new ATOM 903 N LEU A 466 65.675 4.079 9.263 1.00 0.00 N ATOM 904 CA LEU A 466 64.734 2.929 9.137 1.00 0.00 C ATOM 905 C LEU A 466 64.204 2.562 10.523 1.00 0.00 C ATOM 906 O LEU A 466 63.042 2.249 10.692 1.00 0.00 O ATOM 907 CB LEU A 466 65.565 1.784 8.552 1.00 0.00 C ATOM 908 CG LEU A 466 64.808 1.142 7.388 1.00 0.00 C ATOM 909 CD1 LEU A 466 65.786 0.366 6.506 1.00 0.00 C ATOM 910 CD2 LEU A 466 63.749 0.185 7.940 1.00 0.00 C ATOM 0 H LEU A 466 66.644 3.877 9.017 1.00 0.00 H new ATOM 0 HA LEU A 466 63.875 3.154 8.505 1.00 0.00 H new ATOM 0 HB2 LEU A 466 66.529 2.160 8.209 1.00 0.00 H new ATOM 0 HB3 LEU A 466 65.769 1.039 9.321 1.00 0.00 H new ATOM 0 HG LEU A 466 64.326 1.919 6.795 1.00 0.00 H new ATOM 0 HD11 LEU A 466 65.245 -0.091 5.677 1.00 0.00 H new ATOM 0 HD12 LEU A 466 66.542 1.047 6.115 1.00 0.00 H new ATOM 0 HD13 LEU A 466 66.270 -0.412 7.096 1.00 0.00 H new ATOM 0 HD21 LEU A 466 63.207 -0.274 7.113 1.00 0.00 H new ATOM 0 HD22 LEU A 466 64.233 -0.591 8.532 1.00 0.00 H new ATOM 0 HD23 LEU A 466 63.051 0.738 8.568 1.00 0.00 H new ATOM 922 N ILE A 467 65.046 2.624 11.521 1.00 0.00 N ATOM 923 CA ILE A 467 64.587 2.307 12.903 1.00 0.00 C ATOM 924 C ILE A 467 63.599 3.381 13.342 1.00 0.00 C ATOM 925 O ILE A 467 62.519 3.103 13.826 1.00 0.00 O ATOM 926 CB ILE A 467 65.864 2.326 13.769 1.00 0.00 C ATOM 927 CG1 ILE A 467 65.896 1.075 14.650 1.00 0.00 C ATOM 928 CG2 ILE A 467 65.906 3.577 14.666 1.00 0.00 C ATOM 929 CD1 ILE A 467 67.345 0.631 14.853 1.00 0.00 C ATOM 0 H ILE A 467 66.030 2.880 11.438 1.00 0.00 H new ATOM 0 HA ILE A 467 64.082 1.344 12.984 1.00 0.00 H new ATOM 0 HB ILE A 467 66.729 2.345 13.106 1.00 0.00 H new ATOM 0 HG12 ILE A 467 65.430 1.284 15.613 1.00 0.00 H new ATOM 0 HG13 ILE A 467 65.321 0.275 14.184 1.00 0.00 H new ATOM 0 HG21 ILE A 467 66.816 3.565 15.265 1.00 0.00 H new ATOM 0 HG22 ILE A 467 65.894 4.472 14.043 1.00 0.00 H new ATOM 0 HG23 ILE A 467 65.038 3.581 15.325 1.00 0.00 H new ATOM 0 HD11 ILE A 467 67.368 -0.260 15.480 1.00 0.00 H new ATOM 0 HD12 ILE A 467 67.795 0.406 13.886 1.00 0.00 H new ATOM 0 HD13 ILE A 467 67.906 1.430 15.337 1.00 0.00 H new ATOM 941 N HIS A 468 63.976 4.616 13.162 1.00 0.00 N ATOM 942 CA HIS A 468 63.089 5.741 13.549 1.00 0.00 C ATOM 943 C HIS A 468 61.760 5.608 12.804 1.00 0.00 C ATOM 944 O HIS A 468 60.695 5.727 13.379 1.00 0.00 O ATOM 945 CB HIS A 468 63.857 6.995 13.112 1.00 0.00 C ATOM 946 CG HIS A 468 62.982 8.203 13.258 1.00 0.00 C ATOM 947 ND1 HIS A 468 61.765 8.499 12.720 1.00 0.00 N flip ATOM 948 CD2 HIS A 468 63.330 9.294 14.039 1.00 0.00 C flip ATOM 949 CE1 HIS A 468 61.349 9.755 13.150 1.00 0.00 C flip ATOM 950 NE2 HIS A 468 62.331 10.191 13.944 1.00 0.00 N flip ATOM 0 H HIS A 468 64.871 4.894 12.759 1.00 0.00 H new ATOM 0 HA HIS A 468 62.853 5.769 14.613 1.00 0.00 H new ATOM 0 HB2 HIS A 468 64.756 7.111 13.717 1.00 0.00 H new ATOM 0 HB3 HIS A 468 64.180 6.892 12.076 1.00 0.00 H new ATOM 0 HD2 HIS A 468 64.236 9.404 14.617 1.00 0.00 H new ATOM 0 HE1 HIS A 468 60.432 10.266 12.897 1.00 0.00 H new ATOM 0 HE2 HIS A 468 62.324 11.093 14.420 1.00 0.00 H new ATOM 958 N LEU A 469 61.824 5.352 11.528 1.00 0.00 N ATOM 959 CA LEU A 469 60.577 5.199 10.727 1.00 0.00 C ATOM 960 C LEU A 469 59.770 3.996 11.226 1.00 0.00 C ATOM 961 O LEU A 469 58.595 3.867 10.943 1.00 0.00 O ATOM 962 CB LEU A 469 61.059 4.973 9.294 1.00 0.00 C ATOM 963 CG LEU A 469 60.954 6.283 8.511 1.00 0.00 C ATOM 964 CD1 LEU A 469 61.720 6.157 7.193 1.00 0.00 C ATOM 965 CD2 LEU A 469 59.482 6.586 8.221 1.00 0.00 C ATOM 0 H LEU A 469 62.691 5.241 11.002 1.00 0.00 H new ATOM 0 HA LEU A 469 59.923 6.067 10.805 1.00 0.00 H new ATOM 0 HB2 LEU A 469 62.090 4.620 9.297 1.00 0.00 H new ATOM 0 HB3 LEU A 469 60.458 4.200 8.814 1.00 0.00 H new ATOM 0 HG LEU A 469 61.383 7.093 9.101 1.00 0.00 H new ATOM 0 HD11 LEU A 469 61.644 7.091 6.637 1.00 0.00 H new ATOM 0 HD12 LEU A 469 62.768 5.943 7.401 1.00 0.00 H new ATOM 0 HD13 LEU A 469 61.294 5.347 6.601 1.00 0.00 H new ATOM 0 HD21 LEU A 469 59.406 7.519 7.663 1.00 0.00 H new ATOM 0 HD22 LEU A 469 59.053 5.775 7.632 1.00 0.00 H new ATOM 0 HD23 LEU A 469 58.938 6.680 9.161 1.00 0.00 H new ATOM 977 N SER A 470 60.389 3.118 11.971 1.00 0.00 N ATOM 978 CA SER A 470 59.656 1.928 12.493 1.00 0.00 C ATOM 979 C SER A 470 59.016 2.248 13.848 1.00 0.00 C ATOM 980 O SER A 470 58.192 1.504 14.345 1.00 0.00 O ATOM 981 CB SER A 470 60.721 0.844 12.647 1.00 0.00 C ATOM 982 OG SER A 470 60.087 -0.414 12.836 1.00 0.00 O ATOM 0 H SER A 470 61.371 3.174 12.240 1.00 0.00 H new ATOM 0 HA SER A 470 58.850 1.618 11.829 1.00 0.00 H new ATOM 0 HB2 SER A 470 61.357 0.814 11.762 1.00 0.00 H new ATOM 0 HB3 SER A 470 61.366 1.070 13.496 1.00 0.00 H new ATOM 0 HG SER A 470 60.768 -1.112 12.934 1.00 0.00 H new ATOM 988 N GLU A 471 59.387 3.348 14.452 1.00 0.00 N ATOM 989 CA GLU A 471 58.798 3.710 15.775 1.00 0.00 C ATOM 990 C GLU A 471 57.314 4.053 15.617 1.00 0.00 C ATOM 991 O GLU A 471 56.534 3.913 16.539 1.00 0.00 O ATOM 992 CB GLU A 471 59.589 4.934 16.246 1.00 0.00 C ATOM 993 CG GLU A 471 60.127 4.685 17.655 1.00 0.00 C ATOM 994 CD GLU A 471 61.300 5.629 17.932 1.00 0.00 C ATOM 995 OE1 GLU A 471 62.051 5.894 17.009 1.00 0.00 O ATOM 996 OE2 GLU A 471 61.424 6.072 19.062 1.00 0.00 O ATOM 0 H GLU A 471 60.071 4.010 14.086 1.00 0.00 H new ATOM 0 HA GLU A 471 58.859 2.890 16.491 1.00 0.00 H new ATOM 0 HB2 GLU A 471 60.413 5.133 15.561 1.00 0.00 H new ATOM 0 HB3 GLU A 471 58.950 5.817 16.240 1.00 0.00 H new ATOM 0 HG2 GLU A 471 59.338 4.844 18.390 1.00 0.00 H new ATOM 0 HG3 GLU A 471 60.450 3.649 17.754 1.00 0.00 H new ATOM 1003 N GLY A 472 56.919 4.499 14.455 1.00 0.00 N ATOM 1004 CA GLY A 472 55.486 4.850 14.236 1.00 0.00 C ATOM 1005 C GLY A 472 55.321 5.494 12.858 1.00 0.00 C ATOM 1006 O GLY A 472 56.282 5.901 12.235 1.00 0.00 O ATOM 0 H GLY A 472 57.527 4.636 13.647 1.00 0.00 H new ATOM 0 HA2 GLY A 472 54.867 3.956 14.307 1.00 0.00 H new ATOM 0 HA3 GLY A 472 55.146 5.536 15.012 1.00 0.00 H new ATOM 1010 N SER A 473 54.110 5.589 12.380 1.00 0.00 N ATOM 1011 CA SER A 473 53.881 6.208 11.041 1.00 0.00 C ATOM 1012 C SER A 473 54.328 7.672 11.051 1.00 0.00 C ATOM 1013 O SER A 473 54.420 8.296 12.090 1.00 0.00 O ATOM 1014 CB SER A 473 52.373 6.110 10.810 1.00 0.00 C ATOM 1015 OG SER A 473 51.932 4.800 11.137 1.00 0.00 O ATOM 0 H SER A 473 53.269 5.265 12.858 1.00 0.00 H new ATOM 0 HA SER A 473 54.447 5.709 10.254 1.00 0.00 H new ATOM 0 HB2 SER A 473 51.851 6.845 11.423 1.00 0.00 H new ATOM 0 HB3 SER A 473 52.137 6.336 9.770 1.00 0.00 H new ATOM 0 HG SER A 473 50.965 4.735 10.992 1.00 0.00 H new ATOM 1021 N ASN A 474 54.609 8.223 9.899 1.00 0.00 N ATOM 1022 CA ASN A 474 55.051 9.647 9.838 1.00 0.00 C ATOM 1023 C ASN A 474 54.843 10.206 8.428 1.00 0.00 C ATOM 1024 O ASN A 474 54.544 9.478 7.501 1.00 0.00 O ATOM 1025 CB ASN A 474 56.540 9.614 10.187 1.00 0.00 C ATOM 1026 CG ASN A 474 56.981 10.998 10.671 1.00 0.00 C ATOM 1027 OD1 ASN A 474 56.943 11.956 9.926 1.00 0.00 O ATOM 1028 ND2 ASN A 474 57.399 11.142 11.899 1.00 0.00 N ATOM 0 H ASN A 474 54.551 7.748 8.998 1.00 0.00 H new ATOM 0 HA ASN A 474 54.486 10.284 10.518 1.00 0.00 H new ATOM 0 HB2 ASN A 474 56.727 8.870 10.961 1.00 0.00 H new ATOM 0 HB3 ASN A 474 57.123 9.319 9.314 1.00 0.00 H new ATOM 0 HD21 ASN A 474 57.694 12.060 12.233 1.00 0.00 H new ATOM 0 HD22 ASN A 474 57.431 10.337 12.525 1.00 0.00 H new ATOM 1035 N LYS A 475 54.998 11.492 8.261 1.00 0.00 N ATOM 1036 CA LYS A 475 54.809 12.099 6.910 1.00 0.00 C ATOM 1037 C LYS A 475 55.955 11.689 5.980 1.00 0.00 C ATOM 1038 O LYS A 475 56.807 12.488 5.639 1.00 0.00 O ATOM 1039 CB LYS A 475 54.820 13.614 7.143 1.00 0.00 C ATOM 1040 CG LYS A 475 56.136 14.027 7.814 1.00 0.00 C ATOM 1041 CD LYS A 475 56.705 15.262 7.112 1.00 0.00 C ATOM 1042 CE LYS A 475 58.236 15.201 7.124 1.00 0.00 C ATOM 1043 NZ LYS A 475 58.624 14.973 5.705 1.00 0.00 N ATOM 0 H LYS A 475 55.247 12.149 9.001 1.00 0.00 H new ATOM 0 HA LYS A 475 53.883 11.769 6.438 1.00 0.00 H new ATOM 0 HB2 LYS A 475 54.705 14.138 6.194 1.00 0.00 H new ATOM 0 HB3 LYS A 475 53.976 13.901 7.770 1.00 0.00 H new ATOM 0 HG2 LYS A 475 55.966 14.242 8.869 1.00 0.00 H new ATOM 0 HG3 LYS A 475 56.853 13.207 7.767 1.00 0.00 H new ATOM 0 HD2 LYS A 475 56.341 15.309 6.086 1.00 0.00 H new ATOM 0 HD3 LYS A 475 56.363 16.167 7.613 1.00 0.00 H new ATOM 0 HE2 LYS A 475 58.665 16.127 7.506 1.00 0.00 H new ATOM 0 HE3 LYS A 475 58.594 14.395 7.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 59.653 14.835 5.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 58.139 14.126 5.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 58.351 15.798 5.134 1.00 0.00 H new ATOM 1057 N TYR A 476 55.983 10.450 5.567 1.00 0.00 N ATOM 1058 CA TYR A 476 57.074 9.989 4.661 1.00 0.00 C ATOM 1059 C TYR A 476 56.500 9.549 3.312 1.00 0.00 C ATOM 1060 O TYR A 476 55.598 8.736 3.244 1.00 0.00 O ATOM 1061 CB TYR A 476 57.715 8.803 5.382 1.00 0.00 C ATOM 1062 CG TYR A 476 58.997 8.430 4.678 1.00 0.00 C ATOM 1063 CD1 TYR A 476 58.949 7.805 3.428 1.00 0.00 C ATOM 1064 CD2 TYR A 476 60.233 8.713 5.274 1.00 0.00 C ATOM 1065 CE1 TYR A 476 60.136 7.463 2.771 1.00 0.00 C ATOM 1066 CE2 TYR A 476 61.420 8.370 4.616 1.00 0.00 C ATOM 1067 CZ TYR A 476 61.372 7.745 3.365 1.00 0.00 C ATOM 1068 OH TYR A 476 62.542 7.406 2.716 1.00 0.00 O ATOM 0 H TYR A 476 55.298 9.738 5.818 1.00 0.00 H new ATOM 0 HA TYR A 476 57.795 10.780 4.454 1.00 0.00 H new ATOM 0 HB2 TYR A 476 57.918 9.060 6.422 1.00 0.00 H new ATOM 0 HB3 TYR A 476 57.031 7.955 5.392 1.00 0.00 H new ATOM 0 HD1 TYR A 476 57.996 7.586 2.970 1.00 0.00 H new ATOM 0 HD2 TYR A 476 60.270 9.195 6.240 1.00 0.00 H new ATOM 0 HE1 TYR A 476 60.099 6.981 1.805 1.00 0.00 H new ATOM 0 HE2 TYR A 476 62.373 8.588 5.074 1.00 0.00 H new ATOM 0 HH TYR A 476 62.725 6.452 2.848 1.00 0.00 H new ATOM 1078 N TYR A 477 57.020 10.078 2.238 1.00 0.00 N ATOM 1079 CA TYR A 477 56.513 9.694 0.889 1.00 0.00 C ATOM 1080 C TYR A 477 57.669 9.186 0.023 1.00 0.00 C ATOM 1081 O TYR A 477 58.825 9.419 0.320 1.00 0.00 O ATOM 1082 CB TYR A 477 55.931 10.980 0.301 1.00 0.00 C ATOM 1083 CG TYR A 477 54.688 11.367 1.064 1.00 0.00 C ATOM 1084 CD1 TYR A 477 54.794 11.879 2.363 1.00 0.00 C ATOM 1085 CD2 TYR A 477 53.427 11.216 0.472 1.00 0.00 C ATOM 1086 CE1 TYR A 477 53.641 12.239 3.070 1.00 0.00 C ATOM 1087 CE2 TYR A 477 52.274 11.576 1.179 1.00 0.00 C ATOM 1088 CZ TYR A 477 52.381 12.088 2.479 1.00 0.00 C ATOM 1089 OH TYR A 477 51.243 12.443 3.176 1.00 0.00 O ATOM 0 H TYR A 477 57.777 10.762 2.236 1.00 0.00 H new ATOM 0 HA TYR A 477 55.771 8.897 0.936 1.00 0.00 H new ATOM 0 HB2 TYR A 477 56.667 11.782 0.354 1.00 0.00 H new ATOM 0 HB3 TYR A 477 55.693 10.835 -0.753 1.00 0.00 H new ATOM 0 HD1 TYR A 477 55.766 11.996 2.819 1.00 0.00 H new ATOM 0 HD2 TYR A 477 53.345 10.822 -0.530 1.00 0.00 H new ATOM 0 HE1 TYR A 477 53.723 12.633 4.072 1.00 0.00 H new ATOM 0 HE2 TYR A 477 51.302 11.459 0.723 1.00 0.00 H new ATOM 0 HH TYR A 477 50.453 12.275 2.620 1.00 0.00 H new ATOM 1099 N CYS A 478 57.370 8.497 -1.046 1.00 0.00 N ATOM 1100 CA CYS A 478 58.460 7.981 -1.926 1.00 0.00 C ATOM 1101 C CYS A 478 59.161 9.147 -2.625 1.00 0.00 C ATOM 1102 O CYS A 478 58.889 10.300 -2.351 1.00 0.00 O ATOM 1103 CB CYS A 478 57.763 7.073 -2.945 1.00 0.00 C ATOM 1104 SG CYS A 478 58.272 5.365 -2.678 1.00 0.00 S ATOM 0 H CYS A 478 56.422 8.270 -1.347 1.00 0.00 H new ATOM 0 HA CYS A 478 59.223 7.440 -1.367 1.00 0.00 H new ATOM 0 HB2 CYS A 478 56.681 7.161 -2.846 1.00 0.00 H new ATOM 0 HB3 CYS A 478 58.016 7.385 -3.958 1.00 0.00 H new ATOM 0 HG CYS A 478 58.405 5.146 -1.404 1.00 0.00 H new ATOM 1109 N ASN A 479 60.065 8.857 -3.519 1.00 0.00 N ATOM 1110 CA ASN A 479 60.788 9.952 -4.232 1.00 0.00 C ATOM 1111 C ASN A 479 59.841 10.674 -5.193 1.00 0.00 C ATOM 1112 O ASN A 479 59.562 11.847 -5.039 1.00 0.00 O ATOM 1113 CB ASN A 479 61.906 9.251 -5.006 1.00 0.00 C ATOM 1114 CG ASN A 479 63.206 9.308 -4.198 1.00 0.00 C ATOM 1115 OD1 ASN A 479 63.199 9.663 -3.036 1.00 0.00 O ATOM 1116 ND2 ASN A 479 64.328 8.969 -4.770 1.00 0.00 N ATOM 0 H ASN A 479 60.336 7.911 -3.788 1.00 0.00 H new ATOM 0 HA ASN A 479 61.177 10.704 -3.546 1.00 0.00 H new ATOM 0 HB2 ASN A 479 61.632 8.214 -5.200 1.00 0.00 H new ATOM 0 HB3 ASN A 479 62.047 9.730 -5.975 1.00 0.00 H new ATOM 0 HD21 ASN A 479 65.200 9.002 -4.242 1.00 0.00 H new ATOM 0 HD22 ASN A 479 64.333 8.671 -5.745 1.00 0.00 H new ATOM 1123 N GLU A 480 59.340 9.981 -6.180 1.00 0.00 N ATOM 1124 CA GLU A 480 58.408 10.618 -7.146 1.00 0.00 C ATOM 1125 C GLU A 480 57.046 10.874 -6.488 1.00 0.00 C ATOM 1126 O GLU A 480 56.195 11.539 -7.046 1.00 0.00 O ATOM 1127 CB GLU A 480 58.283 9.603 -8.284 1.00 0.00 C ATOM 1128 CG GLU A 480 57.741 8.275 -7.746 1.00 0.00 C ATOM 1129 CD GLU A 480 57.096 7.488 -8.888 1.00 0.00 C ATOM 1130 OE1 GLU A 480 56.496 8.112 -9.746 1.00 0.00 O ATOM 1131 OE2 GLU A 480 57.215 6.274 -8.885 1.00 0.00 O ATOM 0 H GLU A 480 59.539 8.996 -6.357 1.00 0.00 H new ATOM 0 HA GLU A 480 58.766 11.586 -7.497 1.00 0.00 H new ATOM 0 HB2 GLU A 480 57.618 9.990 -9.056 1.00 0.00 H new ATOM 0 HB3 GLU A 480 59.256 9.446 -8.750 1.00 0.00 H new ATOM 0 HG2 GLU A 480 58.548 7.694 -7.300 1.00 0.00 H new ATOM 0 HG3 GLU A 480 57.010 8.460 -6.959 1.00 0.00 H new ATOM 1138 N HIS A 481 56.834 10.349 -5.309 1.00 0.00 N ATOM 1139 CA HIS A 481 55.528 10.557 -4.619 1.00 0.00 C ATOM 1140 C HIS A 481 55.653 11.632 -3.532 1.00 0.00 C ATOM 1141 O HIS A 481 54.694 11.955 -2.858 1.00 0.00 O ATOM 1142 CB HIS A 481 55.198 9.200 -4.000 1.00 0.00 C ATOM 1143 CG HIS A 481 54.978 8.198 -5.100 1.00 0.00 C ATOM 1144 ND1 HIS A 481 55.302 6.840 -4.958 1.00 0.00 N ATOM 1145 CD2 HIS A 481 54.466 8.334 -6.371 1.00 0.00 C ATOM 1146 CE1 HIS A 481 54.982 6.228 -6.119 1.00 0.00 C ATOM 1147 NE2 HIS A 481 54.480 7.098 -6.979 1.00 0.00 N ATOM 0 H HIS A 481 57.510 9.785 -4.794 1.00 0.00 H new ATOM 0 HA HIS A 481 54.751 10.900 -5.302 1.00 0.00 H new ATOM 0 HB2 HIS A 481 56.012 8.874 -3.352 1.00 0.00 H new ATOM 0 HB3 HIS A 481 54.306 9.277 -3.378 1.00 0.00 H new ATOM 0 HD2 HIS A 481 54.114 9.253 -6.815 1.00 0.00 H new ATOM 0 HE1 HIS A 481 55.117 5.175 -6.317 1.00 0.00 H new ATOM 0 HE2 HIS A 481 54.160 6.891 -7.925 1.00 0.00 H new ATOM 1155 N VAL A 482 56.823 12.191 -3.356 1.00 0.00 N ATOM 1156 CA VAL A 482 56.997 13.245 -2.313 1.00 0.00 C ATOM 1157 C VAL A 482 56.204 14.494 -2.694 1.00 0.00 C ATOM 1158 O VAL A 482 55.725 15.227 -1.852 1.00 0.00 O ATOM 1159 CB VAL A 482 58.498 13.542 -2.291 1.00 0.00 C ATOM 1160 CG1 VAL A 482 58.932 14.133 -3.636 1.00 0.00 C ATOM 1161 CG2 VAL A 482 58.803 14.543 -1.174 1.00 0.00 C ATOM 0 H VAL A 482 57.663 11.964 -3.888 1.00 0.00 H new ATOM 0 HA VAL A 482 56.636 12.925 -1.336 1.00 0.00 H new ATOM 0 HB VAL A 482 59.044 12.616 -2.113 1.00 0.00 H new ATOM 0 HG11 VAL A 482 60.002 14.342 -3.613 1.00 0.00 H new ATOM 0 HG12 VAL A 482 58.718 13.420 -4.433 1.00 0.00 H new ATOM 0 HG13 VAL A 482 58.385 15.058 -3.820 1.00 0.00 H new ATOM 0 HG21 VAL A 482 59.872 14.755 -1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 482 58.252 15.467 -1.353 1.00 0.00 H new ATOM 0 HG23 VAL A 482 58.502 14.121 -0.215 1.00 0.00 H new ATOM 1171 N GLN A 483 56.068 14.730 -3.963 1.00 0.00 N ATOM 1172 CA GLN A 483 55.308 15.926 -4.434 1.00 0.00 C ATOM 1173 C GLN A 483 54.626 15.624 -5.771 1.00 0.00 C ATOM 1174 O GLN A 483 55.267 15.252 -6.734 1.00 0.00 O ATOM 1175 CB GLN A 483 56.359 17.027 -4.599 1.00 0.00 C ATOM 1176 CG GLN A 483 57.413 16.591 -5.621 1.00 0.00 C ATOM 1177 CD GLN A 483 58.720 17.340 -5.358 1.00 0.00 C ATOM 1178 OE1 GLN A 483 58.715 18.419 -4.799 1.00 0.00 O ATOM 1179 NE2 GLN A 483 59.850 16.810 -5.741 1.00 0.00 N ATOM 0 H GLN A 483 56.452 14.144 -4.705 1.00 0.00 H new ATOM 0 HA GLN A 483 54.523 16.218 -3.737 1.00 0.00 H new ATOM 0 HB2 GLN A 483 55.882 17.951 -4.926 1.00 0.00 H new ATOM 0 HB3 GLN A 483 56.834 17.236 -3.640 1.00 0.00 H new ATOM 0 HG2 GLN A 483 57.578 15.516 -5.553 1.00 0.00 H new ATOM 0 HG3 GLN A 483 57.061 16.796 -6.632 1.00 0.00 H new ATOM 0 HE21 GLN A 483 59.855 15.904 -6.210 1.00 0.00 H new ATOM 0 HE22 GLN A 483 60.727 17.302 -5.571 1.00 0.00 H new