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 446 CYS SG : rot 177:sc= -0.592 USER MOD Set 1.2: A 452 HIS :FLIP no HD1:sc= -6.7! C(o=-9.6!,f=-7!) USER MOD Set 1.3: A 478 CYS SG : rot -119:sc= -0.45 USER MOD Set 1.4: A 481 HIS : no HD1:sc= 0.766 K(o=-7,f=-13) USER MOD Set 2.1: A 419 CYS SG : rot -130:sc= 0.577 USER MOD Set 2.2: A 420 CYS SG : rot 160:sc= -2.68 USER MOD Set 2.3: A 423 CYS SG : rot 119:sc= -1.41 USER MOD Set 2.4: A 455 HIS : no HD1:sc= -8.37! C(o=-14!,f=-20!) USER MOD Set 2.5: A 458 CYS SG : rot -119:sc= -2.53 USER MOD Set 2.6: A 459 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.7: A 479 ASN : amide:sc= 0 K(o=-14,f=-15) USER MOD Single : A 415 TYR OH : rot 180:sc= 0 USER MOD Single : A 418 THR OG1 : rot -102:sc= -0.411 USER MOD Single : A 422 THR OG1 : rot 63:sc= 0.118 USER MOD Single : A 428 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 429 THR OG1 : rot -35:sc= 0.81 USER MOD Single : A 434 TYR OH : rot 180:sc= -1.1 USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 439 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 440 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 MET CE :methyl 141:sc= -1.88 (180deg=-6.59!) USER MOD Single : A 445 TYR OH : rot 132:sc= 1.11 USER MOD Single : A 447 SER OG : rot 180:sc= 0 USER MOD Single : A 448 HIS : no HD1:sc= -1.03 X(o=-1,f=-0.62) USER MOD Single : A 457 GLN :FLIP amide:sc= 0.96 F(o=-0.077,f=0.96) USER MOD Single : A 465 THR OG1 : rot 180:sc= 0.029 USER MOD Single : A 468 HIS :FLIP no HD1:sc= -1.02 F(o=-2.6!,f=-1) USER MOD Single : A 470 SER OG : rot 180:sc= 0 USER MOD Single : A 473 SER OG : rot 180:sc= 0 USER MOD Single : A 474 ASN :FLIP amide:sc= -1.83 F(o=-2.9,f=-1.8) USER MOD Single : A 475 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.385) USER MOD Single : A 476 TYR OH : rot 110:sc= -2.25! USER MOD Single : A 477 TYR OH : rot 180:sc= 0 USER MOD Single : A 483 GLN : amide:sc= -0.149 K(o=-0.15,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 117 N TYR A 415 60.803 -8.620 -3.364 1.00 0.00 N ATOM 118 CA TYR A 415 61.805 -7.616 -2.899 1.00 0.00 C ATOM 119 C TYR A 415 62.710 -7.200 -4.059 1.00 0.00 C ATOM 120 O TYR A 415 63.067 -6.047 -4.198 1.00 0.00 O ATOM 121 CB TYR A 415 62.616 -8.330 -1.813 1.00 0.00 C ATOM 122 CG TYR A 415 62.288 -7.741 -0.461 1.00 0.00 C ATOM 123 CD1 TYR A 415 62.278 -6.352 -0.285 1.00 0.00 C ATOM 124 CD2 TYR A 415 61.994 -8.585 0.616 1.00 0.00 C ATOM 125 CE1 TYR A 415 61.974 -5.809 0.969 1.00 0.00 C ATOM 126 CE2 TYR A 415 61.689 -8.040 1.870 1.00 0.00 C ATOM 127 CZ TYR A 415 61.680 -6.653 2.045 1.00 0.00 C ATOM 128 OH TYR A 415 61.380 -6.115 3.281 1.00 0.00 O ATOM 0 HA TYR A 415 61.334 -6.709 -2.521 1.00 0.00 H new ATOM 0 HB2 TYR A 415 62.391 -9.396 -1.820 1.00 0.00 H new ATOM 0 HB3 TYR A 415 63.682 -8.228 -2.016 1.00 0.00 H new ATOM 0 HD1 TYR A 415 62.505 -5.700 -1.116 1.00 0.00 H new ATOM 0 HD2 TYR A 415 62.002 -9.656 0.480 1.00 0.00 H new ATOM 0 HE1 TYR A 415 61.966 -4.738 1.106 1.00 0.00 H new ATOM 0 HE2 TYR A 415 61.461 -8.691 2.701 1.00 0.00 H new ATOM 0 HH TYR A 415 61.199 -6.838 3.917 1.00 0.00 H new ATOM 138 N TRP A 416 63.076 -8.132 -4.896 1.00 0.00 N ATOM 139 CA TRP A 416 63.953 -7.798 -6.056 1.00 0.00 C ATOM 140 C TRP A 416 63.120 -7.115 -7.145 1.00 0.00 C ATOM 141 O TRP A 416 63.038 -7.582 -8.265 1.00 0.00 O ATOM 142 CB TRP A 416 64.485 -9.146 -6.548 1.00 0.00 C ATOM 143 CG TRP A 416 65.249 -9.805 -5.445 1.00 0.00 C ATOM 144 CD1 TRP A 416 64.977 -11.027 -4.930 1.00 0.00 C ATOM 145 CD2 TRP A 416 66.398 -9.298 -4.711 1.00 0.00 C ATOM 146 NE1 TRP A 416 65.888 -11.300 -3.926 1.00 0.00 N ATOM 147 CE2 TRP A 416 66.785 -10.263 -3.754 1.00 0.00 C ATOM 148 CE3 TRP A 416 67.133 -8.104 -4.784 1.00 0.00 C ATOM 149 CZ2 TRP A 416 67.867 -10.050 -2.898 1.00 0.00 C ATOM 150 CZ3 TRP A 416 68.221 -7.886 -3.928 1.00 0.00 C ATOM 151 CH2 TRP A 416 68.589 -8.855 -2.985 1.00 0.00 C ATOM 0 H TRP A 416 62.805 -9.113 -4.827 1.00 0.00 H new ATOM 0 HA TRP A 416 64.763 -7.118 -5.793 1.00 0.00 H new ATOM 0 HB2 TRP A 416 63.659 -9.783 -6.865 1.00 0.00 H new ATOM 0 HB3 TRP A 416 65.128 -9.002 -7.416 1.00 0.00 H new ATOM 0 HD1 TRP A 416 64.180 -11.681 -5.251 1.00 0.00 H new ATOM 0 HE1 TRP A 416 65.897 -12.161 -3.379 1.00 0.00 H new ATOM 0 HE3 TRP A 416 66.858 -7.348 -5.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 68.145 -10.802 -2.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 68.780 -6.964 -3.996 1.00 0.00 H new ATOM 0 HH2 TRP A 416 69.428 -8.680 -2.327 1.00 0.00 H new ATOM 162 N ILE A 417 62.489 -6.019 -6.816 1.00 0.00 N ATOM 163 CA ILE A 417 61.646 -5.307 -7.818 1.00 0.00 C ATOM 164 C ILE A 417 62.132 -3.868 -8.002 1.00 0.00 C ATOM 165 O ILE A 417 63.264 -3.540 -7.700 1.00 0.00 O ATOM 166 CB ILE A 417 60.234 -5.328 -7.222 1.00 0.00 C ATOM 167 CG1 ILE A 417 60.220 -4.559 -5.893 1.00 0.00 C ATOM 168 CG2 ILE A 417 59.812 -6.775 -6.971 1.00 0.00 C ATOM 169 CD1 ILE A 417 59.178 -3.441 -5.961 1.00 0.00 C ATOM 0 H ILE A 417 62.522 -5.586 -5.893 1.00 0.00 H new ATOM 0 HA ILE A 417 61.686 -5.776 -8.801 1.00 0.00 H new ATOM 0 HB ILE A 417 59.542 -4.857 -7.920 1.00 0.00 H new ATOM 0 HG12 ILE A 417 59.989 -5.237 -5.071 1.00 0.00 H new ATOM 0 HG13 ILE A 417 61.206 -4.140 -5.693 1.00 0.00 H new ATOM 0 HG21 ILE A 417 58.808 -6.793 -6.547 1.00 0.00 H new ATOM 0 HG22 ILE A 417 59.818 -7.324 -7.912 1.00 0.00 H new ATOM 0 HG23 ILE A 417 60.508 -7.241 -6.274 1.00 0.00 H new ATOM 0 HD11 ILE A 417 59.168 -2.895 -5.018 1.00 0.00 H new ATOM 0 HD12 ILE A 417 59.429 -2.758 -6.773 1.00 0.00 H new ATOM 0 HD13 ILE A 417 58.193 -3.872 -6.141 1.00 0.00 H new ATOM 181 N THR A 418 61.284 -3.010 -8.497 1.00 0.00 N ATOM 182 CA THR A 418 61.692 -1.591 -8.706 1.00 0.00 C ATOM 183 C THR A 418 60.874 -0.656 -7.806 1.00 0.00 C ATOM 184 O THR A 418 59.721 -0.369 -8.063 1.00 0.00 O ATOM 185 CB THR A 418 61.419 -1.309 -10.187 1.00 0.00 C ATOM 186 OG1 THR A 418 61.765 0.036 -10.482 1.00 0.00 O ATOM 187 CG2 THR A 418 59.938 -1.534 -10.497 1.00 0.00 C ATOM 0 H THR A 418 60.325 -3.230 -8.766 1.00 0.00 H new ATOM 0 HA THR A 418 62.738 -1.423 -8.451 1.00 0.00 H new ATOM 0 HB THR A 418 62.018 -1.985 -10.797 1.00 0.00 H new ATOM 0 HG1 THR A 418 60.952 0.581 -10.524 1.00 0.00 H new ATOM 0 HG21 THR A 418 59.752 -1.331 -11.552 1.00 0.00 H new ATOM 0 HG22 THR A 418 59.672 -2.567 -10.274 1.00 0.00 H new ATOM 0 HG23 THR A 418 59.333 -0.864 -9.887 1.00 0.00 H new ATOM 195 N CYS A 419 61.476 -0.178 -6.753 1.00 0.00 N ATOM 196 CA CYS A 419 60.767 0.744 -5.817 1.00 0.00 C ATOM 197 C CYS A 419 60.431 2.071 -6.518 1.00 0.00 C ATOM 198 O CYS A 419 59.626 2.849 -6.043 1.00 0.00 O ATOM 199 CB CYS A 419 61.766 0.939 -4.672 1.00 0.00 C ATOM 200 SG CYS A 419 62.923 2.284 -5.041 1.00 0.00 S ATOM 0 H CYS A 419 62.441 -0.388 -6.497 1.00 0.00 H new ATOM 0 HA CYS A 419 59.813 0.353 -5.465 1.00 0.00 H new ATOM 0 HB2 CYS A 419 61.229 1.160 -3.750 1.00 0.00 H new ATOM 0 HB3 CYS A 419 62.319 0.014 -4.506 1.00 0.00 H new ATOM 0 HG CYS A 419 64.141 1.877 -4.836 1.00 0.00 H new ATOM 205 N CYS A 420 61.048 2.330 -7.640 1.00 0.00 N ATOM 206 CA CYS A 420 60.779 3.600 -8.379 1.00 0.00 C ATOM 207 C CYS A 420 60.614 3.296 -9.878 1.00 0.00 C ATOM 208 O CYS A 420 60.544 2.146 -10.260 1.00 0.00 O ATOM 209 CB CYS A 420 62.019 4.462 -8.118 1.00 0.00 C ATOM 210 SG CYS A 420 61.528 6.008 -7.309 1.00 0.00 S ATOM 0 H CYS A 420 61.731 1.713 -8.080 1.00 0.00 H new ATOM 0 HA CYS A 420 59.866 4.102 -8.059 1.00 0.00 H new ATOM 0 HB2 CYS A 420 62.725 3.920 -7.489 1.00 0.00 H new ATOM 0 HB3 CYS A 420 62.528 4.677 -9.057 1.00 0.00 H new ATOM 0 HG CYS A 420 62.558 6.533 -6.714 1.00 0.00 H new ATOM 216 N PRO A 421 60.551 4.329 -10.688 1.00 0.00 N ATOM 217 CA PRO A 421 60.386 4.122 -12.147 1.00 0.00 C ATOM 218 C PRO A 421 61.721 3.721 -12.786 1.00 0.00 C ATOM 219 O PRO A 421 61.759 3.158 -13.864 1.00 0.00 O ATOM 220 CB PRO A 421 59.916 5.481 -12.653 1.00 0.00 C ATOM 221 CG PRO A 421 60.412 6.477 -11.651 1.00 0.00 C ATOM 222 CD PRO A 421 60.622 5.755 -10.342 1.00 0.00 C ATOM 0 HA PRO A 421 59.686 3.323 -12.391 1.00 0.00 H new ATOM 0 HB2 PRO A 421 60.317 5.690 -13.645 1.00 0.00 H new ATOM 0 HB3 PRO A 421 58.830 5.515 -12.735 1.00 0.00 H new ATOM 0 HG2 PRO A 421 61.344 6.928 -11.991 1.00 0.00 H new ATOM 0 HG3 PRO A 421 59.692 7.286 -11.529 1.00 0.00 H new ATOM 0 HD2 PRO A 421 61.586 6.008 -9.900 1.00 0.00 H new ATOM 0 HD3 PRO A 421 59.857 6.025 -9.614 1.00 0.00 H new ATOM 230 N THR A 422 62.814 3.996 -12.126 1.00 0.00 N ATOM 231 CA THR A 422 64.146 3.622 -12.684 1.00 0.00 C ATOM 232 C THR A 422 64.990 2.960 -11.592 1.00 0.00 C ATOM 233 O THR A 422 66.076 3.405 -11.275 1.00 0.00 O ATOM 234 CB THR A 422 64.778 4.940 -13.131 1.00 0.00 C ATOM 235 OG1 THR A 422 64.867 5.823 -12.021 1.00 0.00 O ATOM 236 CG2 THR A 422 63.917 5.577 -14.223 1.00 0.00 C ATOM 0 H THR A 422 62.842 4.465 -11.221 1.00 0.00 H new ATOM 0 HA THR A 422 64.071 2.915 -13.510 1.00 0.00 H new ATOM 0 HB THR A 422 65.776 4.748 -13.524 1.00 0.00 H new ATOM 0 HG1 THR A 422 65.456 5.435 -11.341 1.00 0.00 H new ATOM 0 HG21 THR A 422 64.369 6.517 -14.541 1.00 0.00 H new ATOM 0 HG22 THR A 422 63.850 4.900 -15.075 1.00 0.00 H new ATOM 0 HG23 THR A 422 62.917 5.769 -13.833 1.00 0.00 H new ATOM 244 N CYS A 423 64.487 1.907 -11.006 1.00 0.00 N ATOM 245 CA CYS A 423 65.241 1.215 -9.920 1.00 0.00 C ATOM 246 C CYS A 423 66.125 0.104 -10.490 1.00 0.00 C ATOM 247 O CYS A 423 65.957 -0.326 -11.615 1.00 0.00 O ATOM 248 CB CYS A 423 64.161 0.618 -9.021 1.00 0.00 C ATOM 249 SG CYS A 423 64.893 0.097 -7.450 1.00 0.00 S ATOM 0 H CYS A 423 63.582 1.494 -11.233 1.00 0.00 H new ATOM 0 HA CYS A 423 65.903 1.897 -9.386 1.00 0.00 H new ATOM 0 HB2 CYS A 423 63.377 1.353 -8.841 1.00 0.00 H new ATOM 0 HB3 CYS A 423 63.693 -0.233 -9.515 1.00 0.00 H new ATOM 0 HG CYS A 423 64.337 0.752 -6.474 1.00 0.00 H new ATOM 254 N ASP A 424 67.060 -0.368 -9.710 1.00 0.00 N ATOM 255 CA ASP A 424 67.960 -1.459 -10.179 1.00 0.00 C ATOM 256 C ASP A 424 68.345 -2.349 -8.994 1.00 0.00 C ATOM 257 O ASP A 424 69.409 -2.936 -8.963 1.00 0.00 O ATOM 258 CB ASP A 424 69.191 -0.746 -10.740 1.00 0.00 C ATOM 259 CG ASP A 424 69.012 -0.525 -12.244 1.00 0.00 C ATOM 260 OD1 ASP A 424 68.360 0.439 -12.608 1.00 0.00 O ATOM 261 OD2 ASP A 424 69.531 -1.324 -13.006 1.00 0.00 O ATOM 0 H ASP A 424 67.240 -0.041 -8.761 1.00 0.00 H new ATOM 0 HA ASP A 424 67.491 -2.099 -10.927 1.00 0.00 H new ATOM 0 HB2 ASP A 424 69.332 0.210 -10.236 1.00 0.00 H new ATOM 0 HB3 ASP A 424 70.085 -1.340 -10.553 1.00 0.00 H new ATOM 266 N VAL A 425 67.483 -2.446 -8.016 1.00 0.00 N ATOM 267 CA VAL A 425 67.788 -3.289 -6.821 1.00 0.00 C ATOM 268 C VAL A 425 67.758 -4.772 -7.195 1.00 0.00 C ATOM 269 O VAL A 425 66.759 -5.294 -7.649 1.00 0.00 O ATOM 270 CB VAL A 425 66.689 -2.947 -5.809 1.00 0.00 C ATOM 271 CG1 VAL A 425 66.705 -3.944 -4.644 1.00 0.00 C ATOM 272 CG2 VAL A 425 66.935 -1.537 -5.268 1.00 0.00 C ATOM 0 H VAL A 425 66.578 -1.976 -7.993 1.00 0.00 H new ATOM 0 HA VAL A 425 68.781 -3.097 -6.415 1.00 0.00 H new ATOM 0 HB VAL A 425 65.719 -3.000 -6.304 1.00 0.00 H new ATOM 0 HG11 VAL A 425 65.919 -3.687 -3.934 1.00 0.00 H new ATOM 0 HG12 VAL A 425 66.535 -4.951 -5.025 1.00 0.00 H new ATOM 0 HG13 VAL A 425 67.673 -3.903 -4.144 1.00 0.00 H new ATOM 0 HG21 VAL A 425 66.158 -1.283 -4.547 1.00 0.00 H new ATOM 0 HG22 VAL A 425 67.909 -1.499 -4.781 1.00 0.00 H new ATOM 0 HG23 VAL A 425 66.913 -0.823 -6.091 1.00 0.00 H new ATOM 282 N ASP A 426 68.854 -5.449 -6.998 1.00 0.00 N ATOM 283 CA ASP A 426 68.917 -6.902 -7.329 1.00 0.00 C ATOM 284 C ASP A 426 70.082 -7.549 -6.576 1.00 0.00 C ATOM 285 O ASP A 426 71.143 -6.971 -6.449 1.00 0.00 O ATOM 286 CB ASP A 426 69.154 -6.959 -8.838 1.00 0.00 C ATOM 287 CG ASP A 426 67.809 -7.030 -9.563 1.00 0.00 C ATOM 288 OD1 ASP A 426 66.960 -7.787 -9.122 1.00 0.00 O ATOM 289 OD2 ASP A 426 67.650 -6.326 -10.547 1.00 0.00 O ATOM 0 H ASP A 426 69.716 -5.056 -6.619 1.00 0.00 H new ATOM 0 HA ASP A 426 68.010 -7.436 -7.045 1.00 0.00 H new ATOM 0 HB2 ASP A 426 69.709 -6.079 -9.163 1.00 0.00 H new ATOM 0 HB3 ASP A 426 69.761 -7.829 -9.089 1.00 0.00 H new ATOM 294 N ILE A 427 69.894 -8.739 -6.072 1.00 0.00 N ATOM 295 CA ILE A 427 70.996 -9.412 -5.321 1.00 0.00 C ATOM 296 C ILE A 427 72.264 -9.481 -6.179 1.00 0.00 C ATOM 297 O ILE A 427 73.368 -9.464 -5.670 1.00 0.00 O ATOM 298 CB ILE A 427 70.472 -10.812 -5.005 1.00 0.00 C ATOM 299 CG1 ILE A 427 71.503 -11.554 -4.153 1.00 0.00 C ATOM 300 CG2 ILE A 427 70.227 -11.585 -6.303 1.00 0.00 C ATOM 301 CD1 ILE A 427 71.339 -11.149 -2.687 1.00 0.00 C ATOM 0 H ILE A 427 69.029 -9.274 -6.147 1.00 0.00 H new ATOM 0 HA ILE A 427 71.265 -8.871 -4.414 1.00 0.00 H new ATOM 0 HB ILE A 427 69.532 -10.731 -4.459 1.00 0.00 H new ATOM 0 HG12 ILE A 427 71.372 -12.631 -4.261 1.00 0.00 H new ATOM 0 HG13 ILE A 427 72.511 -11.319 -4.496 1.00 0.00 H new ATOM 0 HG21 ILE A 427 69.854 -12.582 -6.068 1.00 0.00 H new ATOM 0 HG22 ILE A 427 69.491 -11.055 -6.909 1.00 0.00 H new ATOM 0 HG23 ILE A 427 71.161 -11.669 -6.858 1.00 0.00 H new ATOM 0 HD11 ILE A 427 72.073 -11.677 -2.079 1.00 0.00 H new ATOM 0 HD12 ILE A 427 71.491 -10.074 -2.587 1.00 0.00 H new ATOM 0 HD13 ILE A 427 70.335 -11.406 -2.349 1.00 0.00 H new ATOM 313 N ASN A 428 72.117 -9.547 -7.476 1.00 0.00 N ATOM 314 CA ASN A 428 73.317 -9.603 -8.363 1.00 0.00 C ATOM 315 C ASN A 428 74.233 -8.414 -8.062 1.00 0.00 C ATOM 316 O ASN A 428 75.438 -8.487 -8.215 1.00 0.00 O ATOM 317 CB ASN A 428 72.768 -9.514 -9.788 1.00 0.00 C ATOM 318 CG ASN A 428 73.752 -10.176 -10.756 1.00 0.00 C ATOM 319 OD1 ASN A 428 73.949 -11.374 -10.716 1.00 0.00 O ATOM 320 ND2 ASN A 428 74.382 -9.441 -11.631 1.00 0.00 N ATOM 0 H ASN A 428 71.219 -9.565 -7.959 1.00 0.00 H new ATOM 0 HA ASN A 428 73.903 -10.510 -8.216 1.00 0.00 H new ATOM 0 HB2 ASN A 428 71.797 -10.006 -9.847 1.00 0.00 H new ATOM 0 HB3 ASN A 428 72.614 -8.471 -10.065 1.00 0.00 H new ATOM 0 HD21 ASN A 428 75.039 -9.872 -12.281 1.00 0.00 H new ATOM 0 HD22 ASN A 428 74.217 -8.435 -11.665 1.00 0.00 H new ATOM 327 N THR A 429 73.665 -7.323 -7.626 1.00 0.00 N ATOM 328 CA THR A 429 74.485 -6.121 -7.299 1.00 0.00 C ATOM 329 C THR A 429 74.068 -5.554 -5.935 1.00 0.00 C ATOM 330 O THR A 429 74.448 -4.458 -5.570 1.00 0.00 O ATOM 331 CB THR A 429 74.186 -5.116 -8.415 1.00 0.00 C ATOM 332 OG1 THR A 429 74.905 -3.915 -8.171 1.00 0.00 O ATOM 333 CG2 THR A 429 72.686 -4.816 -8.454 1.00 0.00 C ATOM 0 H THR A 429 72.661 -7.212 -7.481 1.00 0.00 H new ATOM 0 HA THR A 429 75.549 -6.351 -7.237 1.00 0.00 H new ATOM 0 HB THR A 429 74.491 -5.537 -9.373 1.00 0.00 H new ATOM 0 HG1 THR A 429 74.955 -3.754 -7.206 1.00 0.00 H new ATOM 0 HG21 THR A 429 72.479 -4.100 -9.250 1.00 0.00 H new ATOM 0 HG22 THR A 429 72.135 -5.738 -8.642 1.00 0.00 H new ATOM 0 HG23 THR A 429 72.374 -4.396 -7.498 1.00 0.00 H new ATOM 341 N TRP A 430 73.292 -6.291 -5.181 1.00 0.00 N ATOM 342 CA TRP A 430 72.855 -5.793 -3.844 1.00 0.00 C ATOM 343 C TRP A 430 73.512 -6.604 -2.728 1.00 0.00 C ATOM 344 O TRP A 430 74.083 -7.652 -2.958 1.00 0.00 O ATOM 345 CB TRP A 430 71.345 -6.007 -3.795 1.00 0.00 C ATOM 346 CG TRP A 430 70.794 -5.314 -2.602 1.00 0.00 C ATOM 347 CD1 TRP A 430 70.422 -4.016 -2.514 1.00 0.00 C ATOM 348 CD2 TRP A 430 70.562 -5.895 -1.318 1.00 0.00 C ATOM 349 NE1 TRP A 430 69.973 -3.777 -1.222 1.00 0.00 N ATOM 350 CE2 TRP A 430 70.045 -4.921 -0.445 1.00 0.00 C ATOM 351 CE3 TRP A 430 70.765 -7.181 -0.853 1.00 0.00 C ATOM 352 CZ2 TRP A 430 69.733 -5.230 0.879 1.00 0.00 C ATOM 353 CZ3 TRP A 430 70.457 -7.514 0.476 1.00 0.00 C ATOM 354 CH2 TRP A 430 69.941 -6.537 1.344 1.00 0.00 C ATOM 0 H TRP A 430 72.943 -7.215 -5.434 1.00 0.00 H new ATOM 0 HA TRP A 430 73.132 -4.748 -3.705 1.00 0.00 H new ATOM 0 HB2 TRP A 430 70.881 -5.620 -4.702 1.00 0.00 H new ATOM 0 HB3 TRP A 430 71.117 -7.072 -3.750 1.00 0.00 H new ATOM 0 HD1 TRP A 430 70.467 -3.290 -3.312 1.00 0.00 H new ATOM 0 HE1 TRP A 430 69.634 -2.875 -0.888 1.00 0.00 H new ATOM 0 HE3 TRP A 430 71.163 -7.935 -1.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 430 69.336 -4.472 1.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 430 70.617 -8.521 0.831 1.00 0.00 H new ATOM 0 HH2 TRP A 430 69.705 -6.792 2.367 1.00 0.00 H new ATOM 365 N VAL A 431 73.418 -6.127 -1.518 1.00 0.00 N ATOM 366 CA VAL A 431 74.015 -6.862 -0.367 1.00 0.00 C ATOM 367 C VAL A 431 73.251 -6.519 0.918 1.00 0.00 C ATOM 368 O VAL A 431 72.509 -5.557 0.952 1.00 0.00 O ATOM 369 CB VAL A 431 75.460 -6.371 -0.279 1.00 0.00 C ATOM 370 CG1 VAL A 431 76.228 -6.790 -1.533 1.00 0.00 C ATOM 371 CG2 VAL A 431 75.481 -4.844 -0.154 1.00 0.00 C ATOM 0 H VAL A 431 72.950 -5.254 -1.275 1.00 0.00 H new ATOM 0 HA VAL A 431 73.966 -7.943 -0.495 1.00 0.00 H new ATOM 0 HB VAL A 431 75.933 -6.813 0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 431 77.257 -6.437 -1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 431 76.222 -7.877 -1.617 1.00 0.00 H new ATOM 0 HG13 VAL A 431 75.753 -6.355 -2.413 1.00 0.00 H new ATOM 0 HG21 VAL A 431 76.513 -4.498 -0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 431 75.002 -4.401 -1.027 1.00 0.00 H new ATOM 0 HG23 VAL A 431 74.943 -4.545 0.746 1.00 0.00 H new ATOM 381 N PRO A 432 73.455 -7.312 1.938 1.00 0.00 N ATOM 382 CA PRO A 432 72.767 -7.070 3.232 1.00 0.00 C ATOM 383 C PRO A 432 73.328 -5.815 3.905 1.00 0.00 C ATOM 384 O PRO A 432 74.396 -5.833 4.487 1.00 0.00 O ATOM 385 CB PRO A 432 73.083 -8.322 4.046 1.00 0.00 C ATOM 386 CG PRO A 432 74.347 -8.858 3.455 1.00 0.00 C ATOM 387 CD PRO A 432 74.330 -8.493 1.994 1.00 0.00 C ATOM 0 HA PRO A 432 71.695 -6.901 3.127 1.00 0.00 H new ATOM 0 HB2 PRO A 432 73.211 -8.084 5.102 1.00 0.00 H new ATOM 0 HB3 PRO A 432 72.275 -9.051 3.979 1.00 0.00 H new ATOM 0 HG2 PRO A 432 75.218 -8.430 3.951 1.00 0.00 H new ATOM 0 HG3 PRO A 432 74.406 -9.939 3.583 1.00 0.00 H new ATOM 0 HD2 PRO A 432 75.331 -8.267 1.626 1.00 0.00 H new ATOM 0 HD3 PRO A 432 73.942 -9.308 1.383 1.00 0.00 H new ATOM 395 N PHE A 433 72.613 -4.723 3.825 1.00 0.00 N ATOM 396 CA PHE A 433 73.097 -3.458 4.454 1.00 0.00 C ATOM 397 C PHE A 433 72.540 -3.320 5.873 1.00 0.00 C ATOM 398 O PHE A 433 73.162 -2.738 6.739 1.00 0.00 O ATOM 399 CB PHE A 433 72.556 -2.342 3.556 1.00 0.00 C ATOM 400 CG PHE A 433 73.703 -1.624 2.888 1.00 0.00 C ATOM 401 CD1 PHE A 433 74.357 -0.578 3.550 1.00 0.00 C ATOM 402 CD2 PHE A 433 74.113 -2.006 1.605 1.00 0.00 C ATOM 403 CE1 PHE A 433 75.421 0.086 2.930 1.00 0.00 C ATOM 404 CE2 PHE A 433 75.177 -1.341 0.985 1.00 0.00 C ATOM 405 CZ PHE A 433 75.832 -0.295 1.647 1.00 0.00 C ATOM 0 H PHE A 433 71.713 -4.653 3.350 1.00 0.00 H new ATOM 0 HA PHE A 433 74.183 -3.429 4.538 1.00 0.00 H new ATOM 0 HB2 PHE A 433 71.888 -2.760 2.803 1.00 0.00 H new ATOM 0 HB3 PHE A 433 71.969 -1.639 4.147 1.00 0.00 H new ATOM 0 HD1 PHE A 433 74.040 -0.284 4.540 1.00 0.00 H new ATOM 0 HD2 PHE A 433 73.609 -2.813 1.094 1.00 0.00 H new ATOM 0 HE1 PHE A 433 75.925 0.893 3.441 1.00 0.00 H new ATOM 0 HE2 PHE A 433 75.493 -1.635 -0.005 1.00 0.00 H new ATOM 0 HZ PHE A 433 76.653 0.217 1.168 1.00 0.00 H new ATOM 415 N TYR A 434 71.369 -3.845 6.113 1.00 0.00 N ATOM 416 CA TYR A 434 70.765 -3.739 7.474 1.00 0.00 C ATOM 417 C TYR A 434 71.125 -4.973 8.305 1.00 0.00 C ATOM 418 O TYR A 434 71.568 -5.977 7.781 1.00 0.00 O ATOM 419 CB TYR A 434 69.250 -3.675 7.249 1.00 0.00 C ATOM 420 CG TYR A 434 68.939 -2.833 6.032 1.00 0.00 C ATOM 421 CD1 TYR A 434 68.981 -1.436 6.114 1.00 0.00 C ATOM 422 CD2 TYR A 434 68.608 -3.453 4.822 1.00 0.00 C ATOM 423 CE1 TYR A 434 68.694 -0.660 4.984 1.00 0.00 C ATOM 424 CE2 TYR A 434 68.320 -2.678 3.693 1.00 0.00 C ATOM 425 CZ TYR A 434 68.362 -1.281 3.775 1.00 0.00 C ATOM 426 OH TYR A 434 68.078 -0.517 2.662 1.00 0.00 O ATOM 0 H TYR A 434 70.804 -4.343 5.426 1.00 0.00 H new ATOM 0 HA TYR A 434 71.130 -2.865 8.013 1.00 0.00 H new ATOM 0 HB2 TYR A 434 68.852 -4.681 7.116 1.00 0.00 H new ATOM 0 HB3 TYR A 434 68.762 -3.252 8.127 1.00 0.00 H new ATOM 0 HD1 TYR A 434 69.235 -0.957 7.048 1.00 0.00 H new ATOM 0 HD2 TYR A 434 68.575 -4.531 4.759 1.00 0.00 H new ATOM 0 HE1 TYR A 434 68.729 0.418 5.046 1.00 0.00 H new ATOM 0 HE2 TYR A 434 68.066 -3.157 2.759 1.00 0.00 H new ATOM 0 HH TYR A 434 67.869 -1.105 1.906 1.00 0.00 H new ATOM 436 N SER A 435 70.937 -4.906 9.595 1.00 0.00 N ATOM 437 CA SER A 435 71.265 -6.075 10.461 1.00 0.00 C ATOM 438 C SER A 435 70.018 -6.937 10.686 1.00 0.00 C ATOM 439 O SER A 435 70.110 -8.118 10.958 1.00 0.00 O ATOM 440 CB SER A 435 71.746 -5.471 11.778 1.00 0.00 C ATOM 441 OG SER A 435 72.499 -6.440 12.493 1.00 0.00 O ATOM 0 H SER A 435 70.570 -4.092 10.087 1.00 0.00 H new ATOM 0 HA SER A 435 72.018 -6.722 10.011 1.00 0.00 H new ATOM 0 HB2 SER A 435 72.357 -4.589 11.585 1.00 0.00 H new ATOM 0 HB3 SER A 435 70.894 -5.144 12.374 1.00 0.00 H new ATOM 0 HG SER A 435 72.810 -6.054 13.338 1.00 0.00 H new ATOM 447 N THR A 436 68.853 -6.353 10.580 1.00 0.00 N ATOM 448 CA THR A 436 67.600 -7.138 10.794 1.00 0.00 C ATOM 449 C THR A 436 67.178 -7.845 9.500 1.00 0.00 C ATOM 450 O THR A 436 66.466 -8.830 9.529 1.00 0.00 O ATOM 451 CB THR A 436 66.549 -6.105 11.215 1.00 0.00 C ATOM 452 OG1 THR A 436 65.316 -6.765 11.461 1.00 0.00 O ATOM 453 CG2 THR A 436 66.362 -5.066 10.106 1.00 0.00 C ATOM 0 H THR A 436 68.715 -5.368 10.355 1.00 0.00 H new ATOM 0 HA THR A 436 67.729 -7.917 11.545 1.00 0.00 H new ATOM 0 HB THR A 436 66.883 -5.600 12.121 1.00 0.00 H new ATOM 0 HG1 THR A 436 64.642 -6.108 11.732 1.00 0.00 H new ATOM 0 HG21 THR A 436 65.613 -4.336 10.414 1.00 0.00 H new ATOM 0 HG22 THR A 436 67.308 -4.559 9.919 1.00 0.00 H new ATOM 0 HG23 THR A 436 66.031 -5.563 9.194 1.00 0.00 H new ATOM 461 N GLU A 437 67.611 -7.354 8.369 1.00 0.00 N ATOM 462 CA GLU A 437 67.232 -8.003 7.079 1.00 0.00 C ATOM 463 C GLU A 437 68.318 -8.994 6.651 1.00 0.00 C ATOM 464 O GLU A 437 69.495 -8.758 6.842 1.00 0.00 O ATOM 465 CB GLU A 437 67.120 -6.856 6.072 1.00 0.00 C ATOM 466 CG GLU A 437 65.653 -6.647 5.691 1.00 0.00 C ATOM 467 CD GLU A 437 65.013 -5.647 6.656 1.00 0.00 C ATOM 468 OE1 GLU A 437 65.699 -4.724 7.064 1.00 0.00 O ATOM 469 OE2 GLU A 437 63.848 -5.822 6.972 1.00 0.00 O ATOM 0 H GLU A 437 68.210 -6.533 8.282 1.00 0.00 H new ATOM 0 HA GLU A 437 66.301 -8.565 7.156 1.00 0.00 H new ATOM 0 HB2 GLU A 437 67.528 -5.941 6.501 1.00 0.00 H new ATOM 0 HB3 GLU A 437 67.708 -7.081 5.183 1.00 0.00 H new ATOM 0 HG2 GLU A 437 65.581 -6.278 4.668 1.00 0.00 H new ATOM 0 HG3 GLU A 437 65.118 -7.596 5.726 1.00 0.00 H new ATOM 476 N LEU A 438 67.931 -10.101 6.075 1.00 0.00 N ATOM 477 CA LEU A 438 68.941 -11.107 5.637 1.00 0.00 C ATOM 478 C LEU A 438 68.923 -11.247 4.112 1.00 0.00 C ATOM 479 O LEU A 438 67.984 -11.763 3.538 1.00 0.00 O ATOM 480 CB LEU A 438 68.509 -12.414 6.303 1.00 0.00 C ATOM 481 CG LEU A 438 69.643 -13.437 6.210 1.00 0.00 C ATOM 482 CD1 LEU A 438 70.510 -13.355 7.467 1.00 0.00 C ATOM 483 CD2 LEU A 438 69.048 -14.843 6.093 1.00 0.00 C ATOM 0 H LEU A 438 66.960 -10.352 5.889 1.00 0.00 H new ATOM 0 HA LEU A 438 69.956 -10.823 5.915 1.00 0.00 H new ATOM 0 HB2 LEU A 438 68.252 -12.234 7.347 1.00 0.00 H new ATOM 0 HB3 LEU A 438 67.614 -12.803 5.817 1.00 0.00 H new ATOM 0 HG LEU A 438 70.255 -13.224 5.333 1.00 0.00 H new ATOM 0 HD11 LEU A 438 71.318 -14.084 7.400 1.00 0.00 H new ATOM 0 HD12 LEU A 438 70.931 -12.353 7.554 1.00 0.00 H new ATOM 0 HD13 LEU A 438 69.900 -13.569 8.344 1.00 0.00 H new ATOM 0 HD21 LEU A 438 69.853 -15.575 6.026 1.00 0.00 H new ATOM 0 HD22 LEU A 438 68.438 -15.054 6.971 1.00 0.00 H new ATOM 0 HD23 LEU A 438 68.429 -14.903 5.198 1.00 0.00 H new ATOM 495 N ASN A 439 69.958 -10.792 3.453 1.00 0.00 N ATOM 496 CA ASN A 439 70.012 -10.895 1.962 1.00 0.00 C ATOM 497 C ASN A 439 68.738 -10.317 1.336 1.00 0.00 C ATOM 498 O ASN A 439 68.139 -10.914 0.463 1.00 0.00 O ATOM 499 CB ASN A 439 70.125 -12.393 1.669 1.00 0.00 C ATOM 500 CG ASN A 439 71.572 -12.738 1.308 1.00 0.00 C ATOM 501 OD1 ASN A 439 71.852 -13.146 0.197 1.00 0.00 O ATOM 502 ND2 ASN A 439 72.509 -12.591 2.203 1.00 0.00 N ATOM 0 H ASN A 439 70.771 -10.352 3.884 1.00 0.00 H new ATOM 0 HA ASN A 439 70.848 -10.334 1.544 1.00 0.00 H new ATOM 0 HB2 ASN A 439 69.809 -12.969 2.539 1.00 0.00 H new ATOM 0 HB3 ASN A 439 69.460 -12.665 0.849 1.00 0.00 H new ATOM 0 HD21 ASN A 439 73.476 -12.818 1.971 1.00 0.00 H new ATOM 0 HD22 ASN A 439 72.275 -12.249 3.135 1.00 0.00 H new ATOM 509 N LYS A 440 68.320 -9.160 1.776 1.00 0.00 N ATOM 510 CA LYS A 440 67.087 -8.544 1.206 1.00 0.00 C ATOM 511 C LYS A 440 67.013 -7.056 1.580 1.00 0.00 C ATOM 512 O LYS A 440 67.334 -6.685 2.691 1.00 0.00 O ATOM 513 CB LYS A 440 65.926 -9.319 1.836 1.00 0.00 C ATOM 514 CG LYS A 440 65.987 -9.194 3.361 1.00 0.00 C ATOM 515 CD LYS A 440 64.834 -9.984 3.985 1.00 0.00 C ATOM 516 CE LYS A 440 65.215 -11.465 4.072 1.00 0.00 C ATOM 517 NZ LYS A 440 64.021 -12.134 4.661 1.00 0.00 N ATOM 0 H LYS A 440 68.779 -8.615 2.506 1.00 0.00 H new ATOM 0 HA LYS A 440 67.066 -8.596 0.117 1.00 0.00 H new ATOM 0 HB2 LYS A 440 64.976 -8.932 1.468 1.00 0.00 H new ATOM 0 HB3 LYS A 440 65.977 -10.368 1.545 1.00 0.00 H new ATOM 0 HG2 LYS A 440 66.941 -9.571 3.729 1.00 0.00 H new ATOM 0 HG3 LYS A 440 65.924 -8.146 3.653 1.00 0.00 H new ATOM 0 HD2 LYS A 440 64.610 -9.597 4.979 1.00 0.00 H new ATOM 0 HD3 LYS A 440 63.931 -9.865 3.386 1.00 0.00 H new ATOM 0 HE2 LYS A 440 65.450 -11.871 3.088 1.00 0.00 H new ATOM 0 HE3 LYS A 440 66.097 -11.610 4.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 64.204 -13.154 4.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 63.825 -11.732 5.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 63.199 -11.984 4.042 1.00 0.00 H new ATOM 531 N PRO A 441 66.591 -6.250 0.636 1.00 0.00 N ATOM 532 CA PRO A 441 66.476 -4.787 0.880 1.00 0.00 C ATOM 533 C PRO A 441 65.347 -4.484 1.868 1.00 0.00 C ATOM 534 O PRO A 441 64.422 -5.256 2.025 1.00 0.00 O ATOM 535 CB PRO A 441 66.151 -4.217 -0.500 1.00 0.00 C ATOM 536 CG PRO A 441 65.534 -5.353 -1.248 1.00 0.00 C ATOM 537 CD PRO A 441 66.182 -6.608 -0.729 1.00 0.00 C ATOM 0 HA PRO A 441 67.379 -4.360 1.316 1.00 0.00 H new ATOM 0 HB2 PRO A 441 65.465 -3.373 -0.428 1.00 0.00 H new ATOM 0 HB3 PRO A 441 67.050 -3.856 -1.000 1.00 0.00 H new ATOM 0 HG2 PRO A 441 64.456 -5.380 -1.092 1.00 0.00 H new ATOM 0 HG3 PRO A 441 65.698 -5.246 -2.320 1.00 0.00 H new ATOM 0 HD2 PRO A 441 65.487 -7.448 -0.732 1.00 0.00 H new ATOM 0 HD3 PRO A 441 67.037 -6.899 -1.340 1.00 0.00 H new ATOM 545 N ALA A 442 65.414 -3.357 2.524 1.00 0.00 N ATOM 546 CA ALA A 442 64.344 -2.985 3.493 1.00 0.00 C ATOM 547 C ALA A 442 63.409 -1.960 2.847 1.00 0.00 C ATOM 548 O ALA A 442 63.680 -0.775 2.844 1.00 0.00 O ATOM 549 CB ALA A 442 65.078 -2.372 4.686 1.00 0.00 C ATOM 0 H ALA A 442 66.167 -2.675 2.430 1.00 0.00 H new ATOM 0 HA ALA A 442 63.735 -3.837 3.796 1.00 0.00 H new ATOM 0 HB1 ALA A 442 64.354 -2.073 5.444 1.00 0.00 H new ATOM 0 HB2 ALA A 442 65.763 -3.107 5.109 1.00 0.00 H new ATOM 0 HB3 ALA A 442 65.641 -1.499 4.357 1.00 0.00 H new ATOM 555 N MET A 443 62.319 -2.410 2.289 1.00 0.00 N ATOM 556 CA MET A 443 61.372 -1.467 1.627 1.00 0.00 C ATOM 557 C MET A 443 60.540 -0.721 2.672 1.00 0.00 C ATOM 558 O MET A 443 60.559 -1.043 3.844 1.00 0.00 O ATOM 559 CB MET A 443 60.474 -2.347 0.755 1.00 0.00 C ATOM 560 CG MET A 443 61.211 -2.714 -0.536 1.00 0.00 C ATOM 561 SD MET A 443 60.053 -2.682 -1.928 1.00 0.00 S ATOM 562 CE MET A 443 59.742 -4.463 -2.009 1.00 0.00 C ATOM 0 H MET A 443 62.042 -3.391 2.263 1.00 0.00 H new ATOM 0 HA MET A 443 61.893 -0.710 1.041 1.00 0.00 H new ATOM 0 HB2 MET A 443 60.197 -3.251 1.297 1.00 0.00 H new ATOM 0 HB3 MET A 443 59.549 -1.820 0.520 1.00 0.00 H new ATOM 0 HG2 MET A 443 62.027 -2.013 -0.713 1.00 0.00 H new ATOM 0 HG3 MET A 443 61.656 -3.705 -0.443 1.00 0.00 H new ATOM 0 HE1 MET A 443 58.689 -4.639 -2.227 1.00 0.00 H new ATOM 0 HE2 MET A 443 60.354 -4.904 -2.796 1.00 0.00 H new ATOM 0 HE3 MET A 443 59.996 -4.920 -1.053 1.00 0.00 H new ATOM 572 N ILE A 444 59.804 0.272 2.250 1.00 0.00 N ATOM 573 CA ILE A 444 58.961 1.046 3.205 1.00 0.00 C ATOM 574 C ILE A 444 57.584 1.295 2.595 1.00 0.00 C ATOM 575 O ILE A 444 57.363 1.078 1.419 1.00 0.00 O ATOM 576 CB ILE A 444 59.701 2.367 3.429 1.00 0.00 C ATOM 577 CG1 ILE A 444 58.855 3.300 4.300 1.00 0.00 C ATOM 578 CG2 ILE A 444 59.976 3.044 2.084 1.00 0.00 C ATOM 579 CD1 ILE A 444 59.698 4.503 4.734 1.00 0.00 C ATOM 0 H ILE A 444 59.751 0.581 1.280 1.00 0.00 H new ATOM 0 HA ILE A 444 58.807 0.514 4.144 1.00 0.00 H new ATOM 0 HB ILE A 444 60.645 2.159 3.932 1.00 0.00 H new ATOM 0 HG12 ILE A 444 57.980 3.638 3.745 1.00 0.00 H new ATOM 0 HG13 ILE A 444 58.490 2.764 5.176 1.00 0.00 H new ATOM 0 HG21 ILE A 444 60.503 3.984 2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 444 60.589 2.389 1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 444 59.032 3.242 1.577 1.00 0.00 H new ATOM 0 HD11 ILE A 444 59.094 5.166 5.354 1.00 0.00 H new ATOM 0 HD12 ILE A 444 60.559 4.157 5.305 1.00 0.00 H new ATOM 0 HD13 ILE A 444 60.041 5.044 3.852 1.00 0.00 H new ATOM 591 N TYR A 445 56.662 1.746 3.392 1.00 0.00 N ATOM 592 CA TYR A 445 55.286 2.011 2.881 1.00 0.00 C ATOM 593 C TYR A 445 55.112 3.501 2.568 1.00 0.00 C ATOM 594 O TYR A 445 55.060 4.327 3.457 1.00 0.00 O ATOM 595 CB TYR A 445 54.360 1.586 4.021 1.00 0.00 C ATOM 596 CG TYR A 445 52.920 1.774 3.608 1.00 0.00 C ATOM 597 CD1 TYR A 445 52.321 3.033 3.717 1.00 0.00 C ATOM 598 CD2 TYR A 445 52.185 0.688 3.119 1.00 0.00 C ATOM 599 CE1 TYR A 445 50.985 3.207 3.339 1.00 0.00 C ATOM 600 CE2 TYR A 445 50.849 0.861 2.740 1.00 0.00 C ATOM 601 CZ TYR A 445 50.248 2.122 2.850 1.00 0.00 C ATOM 602 OH TYR A 445 48.930 2.293 2.478 1.00 0.00 O ATOM 0 H TYR A 445 56.800 1.945 4.383 1.00 0.00 H new ATOM 0 HA TYR A 445 55.074 1.471 1.958 1.00 0.00 H new ATOM 0 HB2 TYR A 445 54.541 0.542 4.278 1.00 0.00 H new ATOM 0 HB3 TYR A 445 54.572 2.176 4.913 1.00 0.00 H new ATOM 0 HD1 TYR A 445 52.889 3.871 4.093 1.00 0.00 H new ATOM 0 HD2 TYR A 445 52.649 -0.284 3.034 1.00 0.00 H new ATOM 0 HE1 TYR A 445 50.522 4.179 3.425 1.00 0.00 H new ATOM 0 HE2 TYR A 445 50.282 0.023 2.363 1.00 0.00 H new ATOM 0 HH TYR A 445 48.782 1.882 1.601 1.00 0.00 H new ATOM 612 N CYS A 446 55.017 3.849 1.309 1.00 0.00 N ATOM 613 CA CYS A 446 54.842 5.292 0.944 1.00 0.00 C ATOM 614 C CYS A 446 53.604 5.867 1.639 1.00 0.00 C ATOM 615 O CYS A 446 52.719 5.143 2.051 1.00 0.00 O ATOM 616 CB CYS A 446 54.652 5.307 -0.575 1.00 0.00 C ATOM 617 SG CYS A 446 54.438 7.013 -1.152 1.00 0.00 S ATOM 0 H CYS A 446 55.053 3.202 0.521 1.00 0.00 H new ATOM 0 HA CYS A 446 55.695 5.896 1.253 1.00 0.00 H new ATOM 0 HB2 CYS A 446 55.515 4.854 -1.063 1.00 0.00 H new ATOM 0 HB3 CYS A 446 53.782 4.710 -0.848 1.00 0.00 H new ATOM 0 HG CYS A 446 54.334 7.023 -2.448 1.00 0.00 H new ATOM 622 N SER A 447 53.534 7.164 1.767 1.00 0.00 N ATOM 623 CA SER A 447 52.353 7.789 2.429 1.00 0.00 C ATOM 624 C SER A 447 51.533 8.580 1.405 1.00 0.00 C ATOM 625 O SER A 447 50.947 9.598 1.717 1.00 0.00 O ATOM 626 CB SER A 447 52.941 8.725 3.484 1.00 0.00 C ATOM 627 OG SER A 447 51.983 8.932 4.514 1.00 0.00 O ATOM 0 H SER A 447 54.245 7.819 1.441 1.00 0.00 H new ATOM 0 HA SER A 447 51.684 7.049 2.869 1.00 0.00 H new ATOM 0 HB2 SER A 447 53.853 8.296 3.900 1.00 0.00 H new ATOM 0 HB3 SER A 447 53.215 9.677 3.030 1.00 0.00 H new ATOM 0 HG SER A 447 52.357 9.531 5.193 1.00 0.00 H new ATOM 633 N HIS A 448 51.492 8.119 0.183 1.00 0.00 N ATOM 634 CA HIS A 448 50.715 8.839 -0.867 1.00 0.00 C ATOM 635 C HIS A 448 49.784 7.869 -1.598 1.00 0.00 C ATOM 636 O HIS A 448 50.160 6.761 -1.925 1.00 0.00 O ATOM 637 CB HIS A 448 51.771 9.394 -1.825 1.00 0.00 C ATOM 638 CG HIS A 448 51.116 10.316 -2.817 1.00 0.00 C ATOM 639 ND1 HIS A 448 51.369 11.678 -2.838 1.00 0.00 N ATOM 640 CD2 HIS A 448 50.217 10.086 -3.829 1.00 0.00 C ATOM 641 CE1 HIS A 448 50.638 12.211 -3.832 1.00 0.00 C ATOM 642 NE2 HIS A 448 49.916 11.285 -4.470 1.00 0.00 N ATOM 0 H HIS A 448 51.965 7.272 -0.134 1.00 0.00 H new ATOM 0 HA HIS A 448 50.086 9.625 -0.450 1.00 0.00 H new ATOM 0 HB2 HIS A 448 52.538 9.930 -1.266 1.00 0.00 H new ATOM 0 HB3 HIS A 448 52.269 8.577 -2.346 1.00 0.00 H new ATOM 0 HD2 HIS A 448 49.806 9.122 -4.088 1.00 0.00 H new ATOM 0 HE1 HIS A 448 50.635 13.261 -4.085 1.00 0.00 H new ATOM 0 HE2 HIS A 448 49.282 11.426 -5.256 1.00 0.00 H new ATOM 650 N GLY A 449 48.570 8.279 -1.857 1.00 0.00 N ATOM 651 CA GLY A 449 47.613 7.382 -2.568 1.00 0.00 C ATOM 652 C GLY A 449 47.329 6.148 -1.710 1.00 0.00 C ATOM 653 O GLY A 449 46.813 6.248 -0.614 1.00 0.00 O ATOM 0 H GLY A 449 48.200 9.196 -1.607 1.00 0.00 H new ATOM 0 HA2 GLY A 449 46.685 7.915 -2.774 1.00 0.00 H new ATOM 0 HA3 GLY A 449 48.028 7.081 -3.530 1.00 0.00 H new ATOM 657 N ASP A 450 47.663 4.984 -2.201 1.00 0.00 N ATOM 658 CA ASP A 450 47.412 3.740 -1.415 1.00 0.00 C ATOM 659 C ASP A 450 48.691 3.284 -0.700 1.00 0.00 C ATOM 660 O ASP A 450 48.690 2.302 0.015 1.00 0.00 O ATOM 661 CB ASP A 450 46.977 2.700 -2.449 1.00 0.00 C ATOM 662 CG ASP A 450 45.448 2.659 -2.520 1.00 0.00 C ATOM 663 OD1 ASP A 450 44.825 2.675 -1.471 1.00 0.00 O ATOM 664 OD2 ASP A 450 44.928 2.612 -3.622 1.00 0.00 O ATOM 0 H ASP A 450 48.099 4.841 -3.112 1.00 0.00 H new ATOM 0 HA ASP A 450 46.659 3.891 -0.642 1.00 0.00 H new ATOM 0 HB2 ASP A 450 47.391 2.948 -3.426 1.00 0.00 H new ATOM 0 HB3 ASP A 450 47.366 1.718 -2.179 1.00 0.00 H new ATOM 669 N GLY A 451 49.779 3.987 -0.884 1.00 0.00 N ATOM 670 CA GLY A 451 51.048 3.590 -0.210 1.00 0.00 C ATOM 671 C GLY A 451 51.533 2.252 -0.773 1.00 0.00 C ATOM 672 O GLY A 451 50.794 1.290 -0.837 1.00 0.00 O ATOM 0 H GLY A 451 49.842 4.818 -1.472 1.00 0.00 H new ATOM 0 HA2 GLY A 451 51.808 4.357 -0.363 1.00 0.00 H new ATOM 0 HA3 GLY A 451 50.890 3.507 0.865 1.00 0.00 H new ATOM 676 N HIS A 452 52.776 2.183 -1.169 1.00 0.00 N ATOM 677 CA HIS A 452 53.317 0.906 -1.714 1.00 0.00 C ATOM 678 C HIS A 452 54.625 0.545 -1.018 1.00 0.00 C ATOM 679 O HIS A 452 55.131 1.281 -0.192 1.00 0.00 O ATOM 680 CB HIS A 452 53.544 1.116 -3.218 1.00 0.00 C ATOM 681 CG HIS A 452 54.315 2.388 -3.487 1.00 0.00 C ATOM 682 ND1 HIS A 452 54.091 3.697 -3.140 1.00 0.00 N flip ATOM 683 CD2 HIS A 452 55.480 2.394 -4.242 1.00 0.00 C flip ATOM 684 CE1 HIS A 452 55.091 4.499 -3.666 1.00 0.00 C flip ATOM 685 NE2 HIS A 452 55.903 3.671 -4.322 1.00 0.00 N flip ATOM 0 H HIS A 452 53.440 2.957 -1.138 1.00 0.00 H new ATOM 0 HA HIS A 452 52.620 0.085 -1.543 1.00 0.00 H new ATOM 0 HB2 HIS A 452 54.088 0.265 -3.628 1.00 0.00 H new ATOM 0 HB3 HIS A 452 52.583 1.156 -3.731 1.00 0.00 H new ATOM 0 HD2 HIS A 452 55.959 1.533 -4.684 1.00 0.00 H new ATOM 0 HE1 HIS A 452 55.191 5.570 -3.565 1.00 0.00 H new ATOM 0 HE2 HIS A 452 56.741 3.967 -4.823 1.00 0.00 H new ATOM 693 N TRP A 453 55.163 -0.590 -1.350 1.00 0.00 N ATOM 694 CA TRP A 453 56.439 -1.038 -0.719 1.00 0.00 C ATOM 695 C TRP A 453 57.629 -0.660 -1.608 1.00 0.00 C ATOM 696 O TRP A 453 57.721 -1.081 -2.745 1.00 0.00 O ATOM 697 CB TRP A 453 56.296 -2.561 -0.624 1.00 0.00 C ATOM 698 CG TRP A 453 57.038 -3.090 0.565 1.00 0.00 C ATOM 699 CD1 TRP A 453 57.818 -4.194 0.554 1.00 0.00 C ATOM 700 CD2 TRP A 453 57.077 -2.578 1.932 1.00 0.00 C ATOM 701 NE1 TRP A 453 58.337 -4.392 1.820 1.00 0.00 N ATOM 702 CE2 TRP A 453 57.912 -3.422 2.703 1.00 0.00 C ATOM 703 CE3 TRP A 453 56.480 -1.476 2.572 1.00 0.00 C ATOM 704 CZ2 TRP A 453 58.146 -3.183 4.058 1.00 0.00 C ATOM 705 CZ3 TRP A 453 56.714 -1.232 3.936 1.00 0.00 C ATOM 706 CH2 TRP A 453 57.545 -2.083 4.676 1.00 0.00 C ATOM 0 H TRP A 453 54.773 -1.235 -2.037 1.00 0.00 H new ATOM 0 HA TRP A 453 56.617 -0.577 0.252 1.00 0.00 H new ATOM 0 HB2 TRP A 453 55.242 -2.828 -0.549 1.00 0.00 H new ATOM 0 HB3 TRP A 453 56.679 -3.024 -1.533 1.00 0.00 H new ATOM 0 HD1 TRP A 453 58.006 -4.821 -0.305 1.00 0.00 H new ATOM 0 HE1 TRP A 453 58.958 -5.161 2.070 1.00 0.00 H new ATOM 0 HE3 TRP A 453 55.838 -0.813 2.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 453 58.786 -3.843 4.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 453 56.250 -0.383 4.417 1.00 0.00 H new ATOM 0 HH2 TRP A 453 57.721 -1.889 5.724 1.00 0.00 H new ATOM 717 N VAL A 454 58.542 0.129 -1.100 1.00 0.00 N ATOM 718 CA VAL A 454 59.724 0.527 -1.926 1.00 0.00 C ATOM 719 C VAL A 454 60.996 0.564 -1.069 1.00 0.00 C ATOM 720 O VAL A 454 60.972 0.951 0.080 1.00 0.00 O ATOM 721 CB VAL A 454 59.392 1.919 -2.463 1.00 0.00 C ATOM 722 CG1 VAL A 454 58.191 1.829 -3.406 1.00 0.00 C ATOM 723 CG2 VAL A 454 59.060 2.853 -1.304 1.00 0.00 C ATOM 0 H VAL A 454 58.521 0.513 -0.155 1.00 0.00 H new ATOM 0 HA VAL A 454 59.913 -0.182 -2.732 1.00 0.00 H new ATOM 0 HB VAL A 454 60.253 2.310 -3.005 1.00 0.00 H new ATOM 0 HG11 VAL A 454 57.954 2.822 -3.789 1.00 0.00 H new ATOM 0 HG12 VAL A 454 58.430 1.167 -4.238 1.00 0.00 H new ATOM 0 HG13 VAL A 454 57.332 1.435 -2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 454 58.824 3.844 -1.692 1.00 0.00 H new ATOM 0 HG22 VAL A 454 58.201 2.463 -0.757 1.00 0.00 H new ATOM 0 HG23 VAL A 454 59.917 2.920 -0.634 1.00 0.00 H new ATOM 733 N HIS A 455 62.104 0.153 -1.630 1.00 0.00 N ATOM 734 CA HIS A 455 63.398 0.139 -0.865 1.00 0.00 C ATOM 735 C HIS A 455 63.615 1.460 -0.122 1.00 0.00 C ATOM 736 O HIS A 455 63.187 2.510 -0.558 1.00 0.00 O ATOM 737 CB HIS A 455 64.499 -0.060 -1.917 1.00 0.00 C ATOM 738 CG HIS A 455 64.181 -1.248 -2.768 1.00 0.00 C ATOM 739 ND1 HIS A 455 64.031 -1.156 -4.155 1.00 0.00 N ATOM 740 CD2 HIS A 455 63.924 -2.548 -2.442 1.00 0.00 C ATOM 741 CE1 HIS A 455 63.678 -2.379 -4.607 1.00 0.00 C ATOM 742 NE2 HIS A 455 63.608 -3.234 -3.598 1.00 0.00 N ATOM 0 H HIS A 455 62.173 -0.177 -2.593 1.00 0.00 H new ATOM 0 HA HIS A 455 63.400 -0.650 -0.112 1.00 0.00 H new ATOM 0 HB2 HIS A 455 64.585 0.831 -2.539 1.00 0.00 H new ATOM 0 HB3 HIS A 455 65.462 -0.201 -1.426 1.00 0.00 H new ATOM 0 HD2 HIS A 455 63.961 -2.969 -1.448 1.00 0.00 H new ATOM 0 HE1 HIS A 455 63.482 -2.624 -5.640 1.00 0.00 H new ATOM 0 HE2 HIS A 455 63.364 -4.222 -3.663 1.00 0.00 H new ATOM 750 N ALA A 456 64.288 1.410 0.997 1.00 0.00 N ATOM 751 CA ALA A 456 64.549 2.654 1.776 1.00 0.00 C ATOM 752 C ALA A 456 65.896 3.252 1.359 1.00 0.00 C ATOM 753 O ALA A 456 65.998 4.420 1.036 1.00 0.00 O ATOM 754 CB ALA A 456 64.592 2.204 3.237 1.00 0.00 C ATOM 0 H ALA A 456 64.669 0.557 1.406 1.00 0.00 H new ATOM 0 HA ALA A 456 63.790 3.419 1.610 1.00 0.00 H new ATOM 0 HB1 ALA A 456 64.781 3.065 3.878 1.00 0.00 H new ATOM 0 HB2 ALA A 456 63.637 1.753 3.507 1.00 0.00 H new ATOM 0 HB3 ALA A 456 65.389 1.472 3.369 1.00 0.00 H new ATOM 760 N GLN A 457 66.931 2.453 1.363 1.00 0.00 N ATOM 761 CA GLN A 457 68.278 2.963 0.969 1.00 0.00 C ATOM 762 C GLN A 457 68.237 3.529 -0.452 1.00 0.00 C ATOM 763 O GLN A 457 68.992 4.417 -0.798 1.00 0.00 O ATOM 764 CB GLN A 457 69.200 1.743 1.032 1.00 0.00 C ATOM 765 CG GLN A 457 70.629 2.163 0.681 1.00 0.00 C ATOM 766 CD GLN A 457 71.498 0.918 0.489 1.00 0.00 C ATOM 767 OE1 GLN A 457 71.315 0.164 -0.560 1.00 0.00 O flip ATOM 768 NE2 GLN A 457 72.351 0.628 1.304 1.00 0.00 N flip ATOM 0 H GLN A 457 66.901 1.467 1.623 1.00 0.00 H new ATOM 0 HA GLN A 457 68.619 3.767 1.621 1.00 0.00 H new ATOM 0 HB2 GLN A 457 69.173 1.305 2.030 1.00 0.00 H new ATOM 0 HB3 GLN A 457 68.854 0.977 0.338 1.00 0.00 H new ATOM 0 HG2 GLN A 457 70.629 2.763 -0.229 1.00 0.00 H new ATOM 0 HG3 GLN A 457 71.040 2.787 1.474 1.00 0.00 H new ATOM 0 HE21 GLN A 457 72.494 1.217 2.124 1.00 0.00 H new ATOM 0 HE22 GLN A 457 72.924 -0.205 1.168 1.00 0.00 H new ATOM 777 N CYS A 458 67.357 3.026 -1.279 1.00 0.00 N ATOM 778 CA CYS A 458 67.265 3.536 -2.680 1.00 0.00 C ATOM 779 C CYS A 458 67.098 5.059 -2.679 1.00 0.00 C ATOM 780 O CYS A 458 67.436 5.728 -3.636 1.00 0.00 O ATOM 781 CB CYS A 458 66.020 2.868 -3.268 1.00 0.00 C ATOM 782 SG CYS A 458 66.504 1.413 -4.231 1.00 0.00 S ATOM 0 H CYS A 458 66.698 2.284 -1.045 1.00 0.00 H new ATOM 0 HA CYS A 458 68.162 3.311 -3.257 1.00 0.00 H new ATOM 0 HB2 CYS A 458 65.340 2.576 -2.468 1.00 0.00 H new ATOM 0 HB3 CYS A 458 65.482 3.573 -3.902 1.00 0.00 H new ATOM 0 HG CYS A 458 66.135 1.569 -5.468 1.00 0.00 H new ATOM 787 N MET A 459 66.577 5.609 -1.614 1.00 0.00 N ATOM 788 CA MET A 459 66.388 7.089 -1.558 1.00 0.00 C ATOM 789 C MET A 459 67.600 7.753 -0.898 1.00 0.00 C ATOM 790 O MET A 459 68.399 8.392 -1.554 1.00 0.00 O ATOM 791 CB MET A 459 65.124 7.305 -0.715 1.00 0.00 C ATOM 792 CG MET A 459 63.982 6.432 -1.248 1.00 0.00 C ATOM 793 SD MET A 459 63.600 6.898 -2.956 1.00 0.00 S ATOM 794 CE MET A 459 62.438 5.555 -3.302 1.00 0.00 C ATOM 0 H MET A 459 66.275 5.100 -0.783 1.00 0.00 H new ATOM 0 HA MET A 459 66.289 7.528 -2.551 1.00 0.00 H new ATOM 0 HB2 MET A 459 65.326 7.058 0.327 1.00 0.00 H new ATOM 0 HB3 MET A 459 64.833 8.355 -0.743 1.00 0.00 H new ATOM 0 HG2 MET A 459 64.264 5.380 -1.203 1.00 0.00 H new ATOM 0 HG3 MET A 459 63.098 6.552 -0.622 1.00 0.00 H new ATOM 0 HE1 MET A 459 62.069 5.647 -4.323 1.00 0.00 H new ATOM 0 HE2 MET A 459 62.944 4.597 -3.184 1.00 0.00 H new ATOM 0 HE3 MET A 459 61.600 5.611 -2.607 1.00 0.00 H new ATOM 804 N ASP A 460 67.747 7.600 0.395 1.00 0.00 N ATOM 805 CA ASP A 460 68.907 8.211 1.109 1.00 0.00 C ATOM 806 C ASP A 460 68.759 8.001 2.619 1.00 0.00 C ATOM 807 O ASP A 460 69.038 8.885 3.406 1.00 0.00 O ATOM 808 CB ASP A 460 68.867 9.708 0.771 1.00 0.00 C ATOM 809 CG ASP A 460 70.106 10.084 -0.047 1.00 0.00 C ATOM 810 OD1 ASP A 460 70.597 9.233 -0.770 1.00 0.00 O ATOM 811 OD2 ASP A 460 70.540 11.218 0.064 1.00 0.00 O ATOM 0 H ASP A 460 67.107 7.073 0.990 1.00 0.00 H new ATOM 0 HA ASP A 460 69.852 7.760 0.807 1.00 0.00 H new ATOM 0 HB2 ASP A 460 67.963 9.940 0.208 1.00 0.00 H new ATOM 0 HB3 ASP A 460 68.831 10.297 1.687 1.00 0.00 H new ATOM 816 N LEU A 461 68.322 6.840 3.028 1.00 0.00 N ATOM 817 CA LEU A 461 68.153 6.576 4.486 1.00 0.00 C ATOM 818 C LEU A 461 69.206 5.576 4.974 1.00 0.00 C ATOM 819 O LEU A 461 69.932 4.993 4.191 1.00 0.00 O ATOM 820 CB LEU A 461 66.750 5.986 4.622 1.00 0.00 C ATOM 821 CG LEU A 461 65.726 7.119 4.708 1.00 0.00 C ATOM 822 CD1 LEU A 461 65.317 7.546 3.297 1.00 0.00 C ATOM 823 CD2 LEU A 461 64.492 6.633 5.471 1.00 0.00 C ATOM 0 H LEU A 461 68.075 6.063 2.415 1.00 0.00 H new ATOM 0 HA LEU A 461 68.276 7.479 5.084 1.00 0.00 H new ATOM 0 HB2 LEU A 461 66.529 5.346 3.768 1.00 0.00 H new ATOM 0 HB3 LEU A 461 66.692 5.361 5.513 1.00 0.00 H new ATOM 0 HG LEU A 461 66.167 7.968 5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 461 64.587 8.353 3.358 1.00 0.00 H new ATOM 0 HD12 LEU A 461 66.196 7.892 2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 461 64.876 6.698 2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 461 63.761 7.440 5.533 1.00 0.00 H new ATOM 0 HD22 LEU A 461 64.052 5.784 4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 461 64.782 6.329 6.477 1.00 0.00 H new ATOM 835 N GLU A 462 69.292 5.376 6.261 1.00 0.00 N ATOM 836 CA GLU A 462 70.296 4.415 6.805 1.00 0.00 C ATOM 837 C GLU A 462 69.602 3.371 7.685 1.00 0.00 C ATOM 838 O GLU A 462 68.406 3.175 7.604 1.00 0.00 O ATOM 839 CB GLU A 462 71.254 5.271 7.635 1.00 0.00 C ATOM 840 CG GLU A 462 71.931 6.304 6.730 1.00 0.00 C ATOM 841 CD GLU A 462 72.636 7.353 7.591 1.00 0.00 C ATOM 842 OE1 GLU A 462 72.107 7.683 8.639 1.00 0.00 O ATOM 843 OE2 GLU A 462 73.692 7.811 7.185 1.00 0.00 O ATOM 0 H GLU A 462 68.710 5.837 6.961 1.00 0.00 H new ATOM 0 HA GLU A 462 70.818 3.870 6.019 1.00 0.00 H new ATOM 0 HB2 GLU A 462 70.710 5.774 8.435 1.00 0.00 H new ATOM 0 HB3 GLU A 462 72.005 4.639 8.109 1.00 0.00 H new ATOM 0 HG2 GLU A 462 72.650 5.813 6.075 1.00 0.00 H new ATOM 0 HG3 GLU A 462 71.190 6.782 6.089 1.00 0.00 H new ATOM 850 N GLU A 463 70.344 2.698 8.525 1.00 0.00 N ATOM 851 CA GLU A 463 69.726 1.665 9.409 1.00 0.00 C ATOM 852 C GLU A 463 68.919 2.332 10.526 1.00 0.00 C ATOM 853 O GLU A 463 67.944 1.788 11.008 1.00 0.00 O ATOM 854 CB GLU A 463 70.905 0.885 9.992 1.00 0.00 C ATOM 855 CG GLU A 463 70.381 -0.258 10.864 1.00 0.00 C ATOM 856 CD GLU A 463 71.512 -0.787 11.748 1.00 0.00 C ATOM 857 OE1 GLU A 463 72.314 0.018 12.193 1.00 0.00 O ATOM 858 OE2 GLU A 463 71.558 -1.987 11.964 1.00 0.00 O ATOM 0 H GLU A 463 71.351 2.819 8.637 1.00 0.00 H new ATOM 0 HA GLU A 463 69.037 1.018 8.865 1.00 0.00 H new ATOM 0 HB2 GLU A 463 71.525 0.488 9.188 1.00 0.00 H new ATOM 0 HB3 GLU A 463 71.536 1.548 10.584 1.00 0.00 H new ATOM 0 HG2 GLU A 463 69.555 0.092 11.483 1.00 0.00 H new ATOM 0 HG3 GLU A 463 69.991 -1.059 10.236 1.00 0.00 H new ATOM 865 N ARG A 464 69.316 3.505 10.941 1.00 0.00 N ATOM 866 CA ARG A 464 68.571 4.205 12.029 1.00 0.00 C ATOM 867 C ARG A 464 67.256 4.772 11.490 1.00 0.00 C ATOM 868 O ARG A 464 66.186 4.388 11.922 1.00 0.00 O ATOM 869 CB ARG A 464 69.498 5.334 12.486 1.00 0.00 C ATOM 870 CG ARG A 464 69.510 5.399 14.015 1.00 0.00 C ATOM 871 CD ARG A 464 70.428 4.305 14.566 1.00 0.00 C ATOM 872 NE ARG A 464 70.964 4.859 15.840 1.00 0.00 N ATOM 873 CZ ARG A 464 72.248 5.049 15.980 1.00 0.00 C ATOM 874 NH1 ARG A 464 72.922 5.665 15.048 1.00 0.00 N ATOM 875 NH2 ARG A 464 72.858 4.623 17.052 1.00 0.00 N ATOM 0 H ARG A 464 70.123 4.009 10.574 1.00 0.00 H new ATOM 0 HA ARG A 464 68.314 3.535 12.849 1.00 0.00 H new ATOM 0 HB2 ARG A 464 70.507 5.164 12.111 1.00 0.00 H new ATOM 0 HB3 ARG A 464 69.161 6.285 12.074 1.00 0.00 H new ATOM 0 HG2 ARG A 464 69.856 6.379 14.345 1.00 0.00 H new ATOM 0 HG3 ARG A 464 68.500 5.270 14.403 1.00 0.00 H new ATOM 0 HD2 ARG A 464 69.880 3.379 14.738 1.00 0.00 H new ATOM 0 HD3 ARG A 464 71.232 4.074 13.867 1.00 0.00 H new ATOM 0 HE ARG A 464 70.328 5.090 16.603 1.00 0.00 H new ATOM 0 HH11 ARG A 464 72.446 5.998 14.210 1.00 0.00 H new ATOM 0 HH12 ARG A 464 73.925 5.813 15.158 1.00 0.00 H new ATOM 0 HH21 ARG A 464 72.332 4.141 17.781 1.00 0.00 H new ATOM 0 HH22 ARG A 464 73.861 4.772 17.161 1.00 0.00 H new ATOM 889 N THR A 465 67.326 5.679 10.548 1.00 0.00 N ATOM 890 CA THR A 465 66.077 6.272 9.979 1.00 0.00 C ATOM 891 C THR A 465 65.066 5.171 9.650 1.00 0.00 C ATOM 892 O THR A 465 63.881 5.322 9.863 1.00 0.00 O ATOM 893 CB THR A 465 66.522 6.993 8.706 1.00 0.00 C ATOM 894 OG1 THR A 465 67.593 7.876 9.013 1.00 0.00 O ATOM 895 CG2 THR A 465 65.349 7.790 8.132 1.00 0.00 C ATOM 0 H THR A 465 68.194 6.035 10.148 1.00 0.00 H new ATOM 0 HA THR A 465 65.588 6.949 10.679 1.00 0.00 H new ATOM 0 HB THR A 465 66.854 6.260 7.971 1.00 0.00 H new ATOM 0 HG1 THR A 465 67.880 8.338 8.198 1.00 0.00 H new ATOM 0 HG21 THR A 465 65.667 8.303 7.225 1.00 0.00 H new ATOM 0 HG22 THR A 465 64.529 7.112 7.896 1.00 0.00 H new ATOM 0 HG23 THR A 465 65.014 8.523 8.865 1.00 0.00 H new ATOM 903 N LEU A 466 65.531 4.056 9.149 1.00 0.00 N ATOM 904 CA LEU A 466 64.594 2.941 8.827 1.00 0.00 C ATOM 905 C LEU A 466 63.945 2.436 10.117 1.00 0.00 C ATOM 906 O LEU A 466 62.765 2.154 10.159 1.00 0.00 O ATOM 907 CB LEU A 466 65.462 1.851 8.196 1.00 0.00 C ATOM 908 CG LEU A 466 64.705 1.202 7.037 1.00 0.00 C ATOM 909 CD1 LEU A 466 65.639 0.251 6.285 1.00 0.00 C ATOM 910 CD2 LEU A 466 63.512 0.415 7.586 1.00 0.00 C ATOM 0 H LEU A 466 66.514 3.871 8.950 1.00 0.00 H new ATOM 0 HA LEU A 466 63.792 3.248 8.155 1.00 0.00 H new ATOM 0 HB2 LEU A 466 66.398 2.279 7.838 1.00 0.00 H new ATOM 0 HB3 LEU A 466 65.720 1.099 8.942 1.00 0.00 H new ATOM 0 HG LEU A 466 64.350 1.976 6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 466 65.099 -0.212 5.459 1.00 0.00 H new ATOM 0 HD12 LEU A 466 66.490 0.810 5.895 1.00 0.00 H new ATOM 0 HD13 LEU A 466 65.994 -0.523 6.965 1.00 0.00 H new ATOM 0 HD21 LEU A 466 62.971 -0.048 6.761 1.00 0.00 H new ATOM 0 HD22 LEU A 466 63.868 -0.359 8.266 1.00 0.00 H new ATOM 0 HD23 LEU A 466 62.846 1.091 8.122 1.00 0.00 H new ATOM 922 N ILE A 467 64.707 2.344 11.178 1.00 0.00 N ATOM 923 CA ILE A 467 64.124 1.881 12.470 1.00 0.00 C ATOM 924 C ILE A 467 63.103 2.914 12.936 1.00 0.00 C ATOM 925 O ILE A 467 61.983 2.596 13.285 1.00 0.00 O ATOM 926 CB ILE A 467 65.316 1.786 13.444 1.00 0.00 C ATOM 927 CG1 ILE A 467 65.250 0.452 14.191 1.00 0.00 C ATOM 928 CG2 ILE A 467 65.292 2.938 14.465 1.00 0.00 C ATOM 929 CD1 ILE A 467 66.668 -0.033 14.500 1.00 0.00 C ATOM 0 H ILE A 467 65.702 2.568 11.204 1.00 0.00 H new ATOM 0 HA ILE A 467 63.612 0.922 12.397 1.00 0.00 H new ATOM 0 HB ILE A 467 66.238 1.855 12.867 1.00 0.00 H new ATOM 0 HG12 ILE A 467 64.685 0.569 15.116 1.00 0.00 H new ATOM 0 HG13 ILE A 467 64.725 -0.289 13.588 1.00 0.00 H new ATOM 0 HG21 ILE A 467 66.144 2.845 15.139 1.00 0.00 H new ATOM 0 HG22 ILE A 467 65.347 3.891 13.939 1.00 0.00 H new ATOM 0 HG23 ILE A 467 64.368 2.894 15.041 1.00 0.00 H new ATOM 0 HD11 ILE A 467 66.620 -0.983 15.032 1.00 0.00 H new ATOM 0 HD12 ILE A 467 67.218 -0.166 13.568 1.00 0.00 H new ATOM 0 HD13 ILE A 467 67.178 0.704 15.120 1.00 0.00 H new ATOM 941 N HIS A 468 63.497 4.156 12.929 1.00 0.00 N ATOM 942 CA HIS A 468 62.578 5.239 13.356 1.00 0.00 C ATOM 943 C HIS A 468 61.313 5.187 12.498 1.00 0.00 C ATOM 944 O HIS A 468 60.204 5.204 12.999 1.00 0.00 O ATOM 945 CB HIS A 468 63.374 6.528 13.111 1.00 0.00 C ATOM 946 CG HIS A 468 62.492 7.722 13.331 1.00 0.00 C ATOM 947 ND1 HIS A 468 61.298 8.071 12.772 1.00 0.00 N flip ATOM 948 CD2 HIS A 468 62.810 8.735 14.221 1.00 0.00 C flip ATOM 949 CE1 HIS A 468 60.868 9.286 13.299 1.00 0.00 C flip ATOM 950 NE2 HIS A 468 61.818 9.643 14.168 1.00 0.00 N flip ATOM 0 H HIS A 468 64.425 4.467 12.643 1.00 0.00 H new ATOM 0 HA HIS A 468 62.257 5.161 14.395 1.00 0.00 H new ATOM 0 HB2 HIS A 468 64.231 6.570 13.783 1.00 0.00 H new ATOM 0 HB3 HIS A 468 63.765 6.536 12.094 1.00 0.00 H new ATOM 0 HD2 HIS A 468 63.692 8.787 14.843 1.00 0.00 H new ATOM 0 HE1 HIS A 468 59.963 9.823 13.058 1.00 0.00 H new ATOM 0 HE2 HIS A 468 61.794 10.498 14.723 1.00 0.00 H new ATOM 958 N LEU A 469 61.477 5.111 11.207 1.00 0.00 N ATOM 959 CA LEU A 469 60.294 5.046 10.302 1.00 0.00 C ATOM 960 C LEU A 469 59.512 3.750 10.543 1.00 0.00 C ATOM 961 O LEU A 469 58.375 3.618 10.134 1.00 0.00 O ATOM 962 CB LEU A 469 60.879 5.074 8.888 1.00 0.00 C ATOM 963 CG LEU A 469 60.687 6.468 8.289 1.00 0.00 C ATOM 964 CD1 LEU A 469 61.478 6.581 6.987 1.00 0.00 C ATOM 965 CD2 LEU A 469 59.202 6.699 8.005 1.00 0.00 C ATOM 0 H LEU A 469 62.382 5.091 10.737 1.00 0.00 H new ATOM 0 HA LEU A 469 59.597 5.867 10.469 1.00 0.00 H new ATOM 0 HB2 LEU A 469 61.939 4.820 8.915 1.00 0.00 H new ATOM 0 HB3 LEU A 469 60.388 4.327 8.264 1.00 0.00 H new ATOM 0 HG LEU A 469 61.045 7.218 8.995 1.00 0.00 H new ATOM 0 HD11 LEU A 469 61.339 7.575 6.562 1.00 0.00 H new ATOM 0 HD12 LEU A 469 62.536 6.417 7.189 1.00 0.00 H new ATOM 0 HD13 LEU A 469 61.123 5.832 6.280 1.00 0.00 H new ATOM 0 HD21 LEU A 469 59.063 7.692 7.578 1.00 0.00 H new ATOM 0 HD22 LEU A 469 58.845 5.948 7.300 1.00 0.00 H new ATOM 0 HD23 LEU A 469 58.638 6.622 8.934 1.00 0.00 H new ATOM 977 N SER A 470 60.109 2.794 11.209 1.00 0.00 N ATOM 978 CA SER A 470 59.393 1.513 11.479 1.00 0.00 C ATOM 979 C SER A 470 58.463 1.666 12.690 1.00 0.00 C ATOM 980 O SER A 470 57.746 0.752 13.048 1.00 0.00 O ATOM 981 CB SER A 470 60.496 0.498 11.776 1.00 0.00 C ATOM 982 OG SER A 470 60.154 -0.751 11.186 1.00 0.00 O ATOM 0 H SER A 470 61.059 2.846 11.576 1.00 0.00 H new ATOM 0 HA SER A 470 58.770 1.205 10.639 1.00 0.00 H new ATOM 0 HB2 SER A 470 61.448 0.852 11.381 1.00 0.00 H new ATOM 0 HB3 SER A 470 60.621 0.383 12.853 1.00 0.00 H new ATOM 0 HG SER A 470 60.860 -1.405 11.373 1.00 0.00 H new ATOM 988 N GLU A 471 58.468 2.813 13.323 1.00 0.00 N ATOM 989 CA GLU A 471 57.582 3.016 14.507 1.00 0.00 C ATOM 990 C GLU A 471 56.153 3.352 14.062 1.00 0.00 C ATOM 991 O GLU A 471 55.272 3.545 14.877 1.00 0.00 O ATOM 992 CB GLU A 471 58.197 4.197 15.263 1.00 0.00 C ATOM 993 CG GLU A 471 58.122 3.940 16.771 1.00 0.00 C ATOM 994 CD GLU A 471 57.640 5.205 17.484 1.00 0.00 C ATOM 995 OE1 GLU A 471 57.963 6.285 17.016 1.00 0.00 O ATOM 996 OE2 GLU A 471 56.957 5.072 18.487 1.00 0.00 O ATOM 0 H GLU A 471 59.046 3.615 13.071 1.00 0.00 H new ATOM 0 HA GLU A 471 57.515 2.121 15.125 1.00 0.00 H new ATOM 0 HB2 GLU A 471 59.235 4.335 14.959 1.00 0.00 H new ATOM 0 HB3 GLU A 471 57.667 5.116 15.014 1.00 0.00 H new ATOM 0 HG2 GLU A 471 57.442 3.113 16.976 1.00 0.00 H new ATOM 0 HG3 GLU A 471 59.102 3.648 17.149 1.00 0.00 H new ATOM 1003 N GLY A 472 55.916 3.427 12.778 1.00 0.00 N ATOM 1004 CA GLY A 472 54.545 3.752 12.289 1.00 0.00 C ATOM 1005 C GLY A 472 54.288 5.252 12.446 1.00 0.00 C ATOM 1006 O GLY A 472 55.001 5.943 13.149 1.00 0.00 O ATOM 0 H GLY A 472 56.613 3.277 12.048 1.00 0.00 H new ATOM 0 HA2 GLY A 472 54.443 3.462 11.243 1.00 0.00 H new ATOM 0 HA3 GLY A 472 53.803 3.185 12.851 1.00 0.00 H new ATOM 1010 N SER A 473 53.275 5.763 11.794 1.00 0.00 N ATOM 1011 CA SER A 473 52.966 7.222 11.900 1.00 0.00 C ATOM 1012 C SER A 473 54.212 8.057 11.588 1.00 0.00 C ATOM 1013 O SER A 473 54.922 8.485 12.477 1.00 0.00 O ATOM 1014 CB SER A 473 52.527 7.436 13.349 1.00 0.00 C ATOM 1015 OG SER A 473 51.750 8.623 13.434 1.00 0.00 O ATOM 0 H SER A 473 52.647 5.232 11.191 1.00 0.00 H new ATOM 0 HA SER A 473 52.195 7.528 11.192 1.00 0.00 H new ATOM 0 HB2 SER A 473 51.945 6.581 13.695 1.00 0.00 H new ATOM 0 HB3 SER A 473 53.399 7.511 13.998 1.00 0.00 H new ATOM 0 HG SER A 473 51.466 8.762 14.361 1.00 0.00 H new ATOM 1021 N ASN A 474 54.482 8.289 10.330 1.00 0.00 N ATOM 1022 CA ASN A 474 55.682 9.094 9.959 1.00 0.00 C ATOM 1023 C ASN A 474 55.398 9.920 8.701 1.00 0.00 C ATOM 1024 O ASN A 474 54.833 9.433 7.742 1.00 0.00 O ATOM 1025 CB ASN A 474 56.779 8.065 9.686 1.00 0.00 C ATOM 1026 CG ASN A 474 57.069 7.276 10.964 1.00 0.00 C ATOM 1027 OD1 ASN A 474 56.736 6.016 11.028 1.00 0.00 O flip ATOM 1028 ND2 ASN A 474 57.605 7.812 11.913 1.00 0.00 N flip ATOM 0 H ASN A 474 53.923 7.956 9.544 1.00 0.00 H new ATOM 0 HA ASN A 474 55.966 9.796 10.743 1.00 0.00 H new ATOM 0 HB2 ASN A 474 56.467 7.388 8.891 1.00 0.00 H new ATOM 0 HB3 ASN A 474 57.684 8.565 9.342 1.00 0.00 H new ATOM 0 HD21 ASN A 474 57.865 8.797 11.862 1.00 0.00 H new ATOM 0 HD22 ASN A 474 57.795 7.277 12.760 1.00 0.00 H new ATOM 1035 N LYS A 475 55.788 11.167 8.699 1.00 0.00 N ATOM 1036 CA LYS A 475 55.544 12.027 7.504 1.00 0.00 C ATOM 1037 C LYS A 475 56.603 11.749 6.432 1.00 0.00 C ATOM 1038 O LYS A 475 57.397 12.604 6.095 1.00 0.00 O ATOM 1039 CB LYS A 475 55.661 13.463 8.017 1.00 0.00 C ATOM 1040 CG LYS A 475 54.581 13.722 9.067 1.00 0.00 C ATOM 1041 CD LYS A 475 53.202 13.672 8.406 1.00 0.00 C ATOM 1042 CE LYS A 475 52.245 14.603 9.151 1.00 0.00 C ATOM 1043 NZ LYS A 475 52.148 14.037 10.527 1.00 0.00 N ATOM 0 H LYS A 475 56.265 11.628 9.474 1.00 0.00 H new ATOM 0 HA LYS A 475 54.572 11.838 7.048 1.00 0.00 H new ATOM 0 HB2 LYS A 475 56.649 13.626 8.449 1.00 0.00 H new ATOM 0 HB3 LYS A 475 55.554 14.165 7.190 1.00 0.00 H new ATOM 0 HG2 LYS A 475 54.643 12.976 9.859 1.00 0.00 H new ATOM 0 HG3 LYS A 475 54.738 14.695 9.532 1.00 0.00 H new ATOM 0 HD2 LYS A 475 53.277 13.971 7.361 1.00 0.00 H new ATOM 0 HD3 LYS A 475 52.818 12.652 8.419 1.00 0.00 H new ATOM 0 HE2 LYS A 475 52.624 15.625 9.171 1.00 0.00 H new ATOM 0 HE3 LYS A 475 51.269 14.634 8.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 51.285 14.390 10.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 52.112 12.999 10.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 52.979 14.326 11.081 1.00 0.00 H new ATOM 1057 N TYR A 476 56.619 10.556 5.898 1.00 0.00 N ATOM 1058 CA TYR A 476 57.627 10.219 4.851 1.00 0.00 C ATOM 1059 C TYR A 476 56.936 9.923 3.518 1.00 0.00 C ATOM 1060 O TYR A 476 55.843 9.393 3.475 1.00 0.00 O ATOM 1061 CB TYR A 476 58.339 8.971 5.371 1.00 0.00 C ATOM 1062 CG TYR A 476 59.543 8.691 4.507 1.00 0.00 C ATOM 1063 CD1 TYR A 476 59.372 8.203 3.206 1.00 0.00 C ATOM 1064 CD2 TYR A 476 60.832 8.928 5.002 1.00 0.00 C ATOM 1065 CE1 TYR A 476 60.487 7.952 2.401 1.00 0.00 C ATOM 1066 CE2 TYR A 476 61.948 8.674 4.196 1.00 0.00 C ATOM 1067 CZ TYR A 476 61.776 8.186 2.896 1.00 0.00 C ATOM 1068 OH TYR A 476 62.877 7.939 2.100 1.00 0.00 O ATOM 0 H TYR A 476 55.978 9.801 6.142 1.00 0.00 H new ATOM 0 HA TYR A 476 58.320 11.041 4.672 1.00 0.00 H new ATOM 0 HB2 TYR A 476 58.646 9.118 6.407 1.00 0.00 H new ATOM 0 HB3 TYR A 476 57.660 8.118 5.357 1.00 0.00 H new ATOM 0 HD1 TYR A 476 58.378 8.020 2.824 1.00 0.00 H new ATOM 0 HD2 TYR A 476 60.965 9.306 6.005 1.00 0.00 H new ATOM 0 HE1 TYR A 476 60.354 7.577 1.397 1.00 0.00 H new ATOM 0 HE2 TYR A 476 62.942 8.855 4.578 1.00 0.00 H new ATOM 0 HH TYR A 476 63.294 8.789 1.846 1.00 0.00 H new ATOM 1078 N TYR A 477 57.574 10.257 2.428 1.00 0.00 N ATOM 1079 CA TYR A 477 56.968 9.994 1.090 1.00 0.00 C ATOM 1080 C TYR A 477 58.030 9.437 0.139 1.00 0.00 C ATOM 1081 O TYR A 477 59.168 9.864 0.148 1.00 0.00 O ATOM 1082 CB TYR A 477 56.471 11.356 0.604 1.00 0.00 C ATOM 1083 CG TYR A 477 55.131 11.657 1.233 1.00 0.00 C ATOM 1084 CD1 TYR A 477 55.069 12.191 2.526 1.00 0.00 C ATOM 1085 CD2 TYR A 477 53.951 11.401 0.523 1.00 0.00 C ATOM 1086 CE1 TYR A 477 53.826 12.470 3.108 1.00 0.00 C ATOM 1087 CE2 TYR A 477 52.709 11.680 1.106 1.00 0.00 C ATOM 1088 CZ TYR A 477 52.647 12.215 2.399 1.00 0.00 C ATOM 1089 OH TYR A 477 51.423 12.489 2.973 1.00 0.00 O ATOM 0 H TYR A 477 58.492 10.702 2.407 1.00 0.00 H new ATOM 0 HA TYR A 477 56.161 9.262 1.134 1.00 0.00 H new ATOM 0 HB2 TYR A 477 57.190 12.132 0.866 1.00 0.00 H new ATOM 0 HB3 TYR A 477 56.383 11.356 -0.482 1.00 0.00 H new ATOM 0 HD1 TYR A 477 55.979 12.388 3.074 1.00 0.00 H new ATOM 0 HD2 TYR A 477 53.999 10.988 -0.474 1.00 0.00 H new ATOM 0 HE1 TYR A 477 53.777 12.882 4.105 1.00 0.00 H new ATOM 0 HE2 TYR A 477 51.799 11.483 0.559 1.00 0.00 H new ATOM 0 HH TYR A 477 50.708 12.254 2.346 1.00 0.00 H new ATOM 1099 N CYS A 478 57.668 8.487 -0.682 1.00 0.00 N ATOM 1100 CA CYS A 478 58.660 7.902 -1.634 1.00 0.00 C ATOM 1101 C CYS A 478 59.206 9.001 -2.562 1.00 0.00 C ATOM 1102 O CYS A 478 59.026 10.177 -2.315 1.00 0.00 O ATOM 1103 CB CYS A 478 57.878 6.819 -2.405 1.00 0.00 C ATOM 1104 SG CYS A 478 57.153 7.497 -3.921 1.00 0.00 S ATOM 0 H CYS A 478 56.730 8.091 -0.735 1.00 0.00 H new ATOM 0 HA CYS A 478 59.530 7.472 -1.137 1.00 0.00 H new ATOM 0 HB2 CYS A 478 58.544 5.993 -2.654 1.00 0.00 H new ATOM 0 HB3 CYS A 478 57.090 6.413 -1.771 1.00 0.00 H new ATOM 0 HG CYS A 478 55.859 7.383 -3.872 1.00 0.00 H new ATOM 1109 N ASN A 479 59.871 8.627 -3.622 1.00 0.00 N ATOM 1110 CA ASN A 479 60.427 9.653 -4.558 1.00 0.00 C ATOM 1111 C ASN A 479 59.418 9.969 -5.668 1.00 0.00 C ATOM 1112 O ASN A 479 59.269 11.103 -6.080 1.00 0.00 O ATOM 1113 CB ASN A 479 61.687 9.014 -5.142 1.00 0.00 C ATOM 1114 CG ASN A 479 62.346 9.983 -6.128 1.00 0.00 C ATOM 1115 OD1 ASN A 479 62.303 11.182 -5.941 1.00 0.00 O ATOM 1116 ND2 ASN A 479 62.960 9.507 -7.177 1.00 0.00 N ATOM 0 H ASN A 479 60.054 7.658 -3.882 1.00 0.00 H new ATOM 0 HA ASN A 479 60.643 10.595 -4.054 1.00 0.00 H new ATOM 0 HB2 ASN A 479 62.384 8.764 -4.342 1.00 0.00 H new ATOM 0 HB3 ASN A 479 61.433 8.082 -5.647 1.00 0.00 H new ATOM 0 HD21 ASN A 479 63.404 10.142 -7.840 1.00 0.00 H new ATOM 0 HD22 ASN A 479 62.996 8.500 -7.334 1.00 0.00 H new ATOM 1123 N GLU A 480 58.732 8.973 -6.160 1.00 0.00 N ATOM 1124 CA GLU A 480 57.736 9.208 -7.250 1.00 0.00 C ATOM 1125 C GLU A 480 56.511 9.968 -6.725 1.00 0.00 C ATOM 1126 O GLU A 480 55.634 10.338 -7.480 1.00 0.00 O ATOM 1127 CB GLU A 480 57.331 7.810 -7.718 1.00 0.00 C ATOM 1128 CG GLU A 480 56.531 7.915 -9.021 1.00 0.00 C ATOM 1129 CD GLU A 480 57.395 7.447 -10.194 1.00 0.00 C ATOM 1130 OE1 GLU A 480 57.680 6.263 -10.259 1.00 0.00 O ATOM 1131 OE2 GLU A 480 57.758 8.282 -11.006 1.00 0.00 O ATOM 0 H GLU A 480 58.817 8.004 -5.855 1.00 0.00 H new ATOM 0 HA GLU A 480 58.154 9.814 -8.054 1.00 0.00 H new ATOM 0 HB2 GLU A 480 58.218 7.196 -7.873 1.00 0.00 H new ATOM 0 HB3 GLU A 480 56.733 7.318 -6.951 1.00 0.00 H new ATOM 0 HG2 GLU A 480 55.629 7.307 -8.956 1.00 0.00 H new ATOM 0 HG3 GLU A 480 56.210 8.944 -9.181 1.00 0.00 H new ATOM 1138 N HIS A 481 56.438 10.205 -5.440 1.00 0.00 N ATOM 1139 CA HIS A 481 55.265 10.939 -4.880 1.00 0.00 C ATOM 1140 C HIS A 481 55.737 12.063 -3.954 1.00 0.00 C ATOM 1141 O HIS A 481 55.201 12.261 -2.882 1.00 0.00 O ATOM 1142 CB HIS A 481 54.480 9.887 -4.093 1.00 0.00 C ATOM 1143 CG HIS A 481 53.922 8.861 -5.041 1.00 0.00 C ATOM 1144 ND1 HIS A 481 54.092 7.485 -4.840 1.00 0.00 N ATOM 1145 CD2 HIS A 481 53.199 8.985 -6.207 1.00 0.00 C ATOM 1146 CE1 HIS A 481 53.487 6.846 -5.862 1.00 0.00 C ATOM 1147 NE2 HIS A 481 52.943 7.719 -6.694 1.00 0.00 N ATOM 0 H HIS A 481 57.139 9.922 -4.756 1.00 0.00 H new ATOM 0 HA HIS A 481 54.658 11.404 -5.657 1.00 0.00 H new ATOM 0 HB2 HIS A 481 55.129 9.406 -3.361 1.00 0.00 H new ATOM 0 HB3 HIS A 481 53.671 10.362 -3.538 1.00 0.00 H new ATOM 0 HD2 HIS A 481 52.886 9.913 -6.662 1.00 0.00 H new ATOM 0 HE1 HIS A 481 53.452 5.773 -5.984 1.00 0.00 H new ATOM 0 HE2 HIS A 481 52.426 7.496 -7.545 1.00 0.00 H new ATOM 1155 N VAL A 482 56.736 12.800 -4.362 1.00 0.00 N ATOM 1156 CA VAL A 482 57.242 13.912 -3.506 1.00 0.00 C ATOM 1157 C VAL A 482 56.891 15.263 -4.132 1.00 0.00 C ATOM 1158 O VAL A 482 56.715 16.253 -3.450 1.00 0.00 O ATOM 1159 CB VAL A 482 58.761 13.711 -3.448 1.00 0.00 C ATOM 1160 CG1 VAL A 482 59.388 14.025 -4.810 1.00 0.00 C ATOM 1161 CG2 VAL A 482 59.357 14.642 -2.388 1.00 0.00 C ATOM 0 H VAL A 482 57.223 12.680 -5.250 1.00 0.00 H new ATOM 0 HA VAL A 482 56.798 13.905 -2.511 1.00 0.00 H new ATOM 0 HB VAL A 482 58.972 12.673 -3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 482 60.467 13.879 -4.756 1.00 0.00 H new ATOM 0 HG12 VAL A 482 58.969 13.360 -5.565 1.00 0.00 H new ATOM 0 HG13 VAL A 482 59.175 15.060 -5.079 1.00 0.00 H new ATOM 0 HG21 VAL A 482 60.437 14.501 -2.345 1.00 0.00 H new ATOM 0 HG22 VAL A 482 59.137 15.677 -2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 482 58.922 14.412 -1.415 1.00 0.00 H new ATOM 1171 N GLN A 483 56.791 15.299 -5.427 1.00 0.00 N ATOM 1172 CA GLN A 483 56.448 16.575 -6.120 1.00 0.00 C ATOM 1173 C GLN A 483 54.948 16.856 -6.000 1.00 0.00 C ATOM 1174 O GLN A 483 54.510 17.987 -6.078 1.00 0.00 O ATOM 1175 CB GLN A 483 56.836 16.348 -7.582 1.00 0.00 C ATOM 1176 CG GLN A 483 58.359 16.243 -7.696 1.00 0.00 C ATOM 1177 CD GLN A 483 58.721 15.280 -8.828 1.00 0.00 C ATOM 1178 OE1 GLN A 483 58.142 14.218 -8.946 1.00 0.00 O ATOM 1179 NE2 GLN A 483 59.661 15.608 -9.671 1.00 0.00 N ATOM 0 H GLN A 483 56.932 14.498 -6.042 1.00 0.00 H new ATOM 0 HA GLN A 483 56.966 17.431 -5.689 1.00 0.00 H new ATOM 0 HB2 GLN A 483 56.369 15.437 -7.956 1.00 0.00 H new ATOM 0 HB3 GLN A 483 56.470 17.169 -8.198 1.00 0.00 H new ATOM 0 HG2 GLN A 483 58.788 17.226 -7.889 1.00 0.00 H new ATOM 0 HG3 GLN A 483 58.781 15.890 -6.755 1.00 0.00 H new ATOM 0 HE21 GLN A 483 60.147 16.499 -9.572 1.00 0.00 H new ATOM 0 HE22 GLN A 483 59.910 14.973 -10.429 1.00 0.00 H new