USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 506 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 446 CYS SG : rot -178:sc= -0.773 USER MOD Set 1.2: A 448 HIS : no HE2:sc= -2.04 K(o=-12,f=-9.9!) USER MOD Set 1.3: A 452 HIS : no HD1:sc= -6! K(o=-12!,f=-9.3) USER MOD Set 1.4: A 478 CYS SG : rot -129:sc= -1.54 USER MOD Set 1.5: A 481 HIS : no HD1:sc= -1.16 K(o=-12,f=-20!) USER MOD Set 2.1: A 419 CYS SG : rot -124:sc= -2.12 USER MOD Set 2.2: A 420 CYS SG : rot 43:sc= -2.75 USER MOD Set 2.3: A 423 CYS SG : rot 73:sc= 0.111 USER MOD Set 2.4: A 443 MET CE :methyl -147:sc= -2.2 (180deg=-3.09) USER MOD Set 2.5: A 455 HIS : no HD1:sc= -9.37! C(o=-21!,f=-30!) USER MOD Set 2.6: A 458 CYS SG : rot 155:sc= -2.17 USER MOD Set 2.7: A 459 MET CE :methyl -145:sc= -2.13 (180deg=0) USER MOD Single : A 415 TYR OH : rot 180:sc= 0 USER MOD Single : A 418 THR OG1 : rot 180:sc= 0.0548 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0.0115 USER MOD Single : A 428 ASN : amide:sc= -0.0971 K(o=-0.097,f=-2.1!) USER MOD Single : A 429 THR OG1 : rot -38:sc= 0.825 USER MOD Single : A 434 TYR OH : rot 180:sc= -1.37 USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot 63:sc= 1.12 USER MOD Single : A 439 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.46) USER MOD Single : A 440 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 445 TYR OH : rot 94:sc= 1.23 USER MOD Single : A 447 SER OG : rot -115:sc= 0.0319 USER MOD Single : A 457 GLN : amide:sc= -0.231 K(o=-0.23,f=-2) USER MOD Single : A 465 THR OG1 : rot 180:sc= 0.0307 USER MOD Single : A 468 HIS : no HD1:sc= -2.24! K(o=-2.2!,f=-1) USER MOD Single : A 470 SER OG : rot 180:sc= 0 USER MOD Single : A 473 SER OG : rot -101:sc= 0.0396 USER MOD Single : A 474 ASN : amide:sc= -1.94 K(o=-1.9,f=-2.7!) USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 476 TYR OH : rot 30:sc= -4.2! USER MOD Single : A 477 TYR OH : rot 180:sc= 0 USER MOD Single : A 479 ASN : amide:sc= -0.272 X(o=-0.27,f=0) USER MOD Single : A 483 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 117 N TYR A 415 61.230 -8.594 -3.331 1.00 0.00 N ATOM 118 CA TYR A 415 62.174 -7.464 -3.093 1.00 0.00 C ATOM 119 C TYR A 415 62.971 -7.157 -4.362 1.00 0.00 C ATOM 120 O TYR A 415 63.423 -6.049 -4.569 1.00 0.00 O ATOM 121 CB TYR A 415 63.102 -7.950 -1.981 1.00 0.00 C ATOM 122 CG TYR A 415 62.457 -7.682 -0.644 1.00 0.00 C ATOM 123 CD1 TYR A 415 62.017 -6.389 -0.331 1.00 0.00 C ATOM 124 CD2 TYR A 415 62.294 -8.721 0.279 1.00 0.00 C ATOM 125 CE1 TYR A 415 61.414 -6.139 0.907 1.00 0.00 C ATOM 126 CE2 TYR A 415 61.692 -8.470 1.517 1.00 0.00 C ATOM 127 CZ TYR A 415 61.252 -7.179 1.831 1.00 0.00 C ATOM 128 OH TYR A 415 60.656 -6.931 3.051 1.00 0.00 O ATOM 0 HA TYR A 415 61.654 -6.546 -2.819 1.00 0.00 H new ATOM 0 HB2 TYR A 415 63.300 -9.016 -2.096 1.00 0.00 H new ATOM 0 HB3 TYR A 415 64.063 -7.439 -2.044 1.00 0.00 H new ATOM 0 HD1 TYR A 415 62.143 -5.587 -1.043 1.00 0.00 H new ATOM 0 HD2 TYR A 415 62.633 -9.717 0.036 1.00 0.00 H new ATOM 0 HE1 TYR A 415 61.073 -5.143 1.150 1.00 0.00 H new ATOM 0 HE2 TYR A 415 61.567 -9.272 2.230 1.00 0.00 H new ATOM 0 HH TYR A 415 60.620 -7.760 3.572 1.00 0.00 H new ATOM 138 N TRP A 416 63.142 -8.130 -5.215 1.00 0.00 N ATOM 139 CA TRP A 416 63.906 -7.895 -6.474 1.00 0.00 C ATOM 140 C TRP A 416 62.991 -7.247 -7.519 1.00 0.00 C ATOM 141 O TRP A 416 62.814 -7.758 -8.607 1.00 0.00 O ATOM 142 CB TRP A 416 64.355 -9.285 -6.931 1.00 0.00 C ATOM 143 CG TRP A 416 65.108 -9.954 -5.824 1.00 0.00 C ATOM 144 CD1 TRP A 416 64.826 -11.177 -5.318 1.00 0.00 C ATOM 145 CD2 TRP A 416 66.252 -9.455 -5.074 1.00 0.00 C ATOM 146 NE1 TRP A 416 65.726 -11.459 -4.306 1.00 0.00 N ATOM 147 CE2 TRP A 416 66.625 -10.428 -4.118 1.00 0.00 C ATOM 148 CE3 TRP A 416 66.995 -8.262 -5.132 1.00 0.00 C ATOM 149 CZ2 TRP A 416 67.699 -10.226 -3.249 1.00 0.00 C ATOM 150 CZ3 TRP A 416 68.075 -8.056 -4.259 1.00 0.00 C ATOM 151 CH2 TRP A 416 68.426 -9.033 -3.321 1.00 0.00 C ATOM 0 H TRP A 416 62.786 -9.078 -5.095 1.00 0.00 H new ATOM 0 HA TRP A 416 64.755 -7.226 -6.332 1.00 0.00 H new ATOM 0 HB2 TRP A 416 63.489 -9.885 -7.211 1.00 0.00 H new ATOM 0 HB3 TRP A 416 64.985 -9.203 -7.816 1.00 0.00 H new ATOM 0 HD1 TRP A 416 64.029 -11.826 -5.650 1.00 0.00 H new ATOM 0 HE1 TRP A 416 65.726 -12.323 -3.765 1.00 0.00 H new ATOM 0 HE3 TRP A 416 66.733 -7.501 -5.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 67.966 -10.984 -2.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 68.639 -7.137 -4.312 1.00 0.00 H new ATOM 0 HH2 TRP A 416 69.258 -8.866 -2.653 1.00 0.00 H new ATOM 162 N ILE A 417 62.401 -6.128 -7.188 1.00 0.00 N ATOM 163 CA ILE A 417 61.488 -5.445 -8.152 1.00 0.00 C ATOM 164 C ILE A 417 61.954 -4.008 -8.400 1.00 0.00 C ATOM 165 O ILE A 417 63.091 -3.661 -8.147 1.00 0.00 O ATOM 166 CB ILE A 417 60.114 -5.454 -7.470 1.00 0.00 C ATOM 167 CG1 ILE A 417 60.175 -4.638 -6.171 1.00 0.00 C ATOM 168 CG2 ILE A 417 59.710 -6.896 -7.147 1.00 0.00 C ATOM 169 CD1 ILE A 417 59.281 -3.402 -6.300 1.00 0.00 C ATOM 0 H ILE A 417 62.512 -5.657 -6.290 1.00 0.00 H new ATOM 0 HA ILE A 417 61.467 -5.942 -9.122 1.00 0.00 H new ATOM 0 HB ILE A 417 59.378 -5.011 -8.141 1.00 0.00 H new ATOM 0 HG12 ILE A 417 59.849 -5.249 -5.330 1.00 0.00 H new ATOM 0 HG13 ILE A 417 61.202 -4.337 -5.967 1.00 0.00 H new ATOM 0 HG21 ILE A 417 58.734 -6.900 -6.662 1.00 0.00 H new ATOM 0 HG22 ILE A 417 59.660 -7.475 -8.069 1.00 0.00 H new ATOM 0 HG23 ILE A 417 60.448 -7.340 -6.479 1.00 0.00 H new ATOM 0 HD11 ILE A 417 59.325 -2.823 -5.377 1.00 0.00 H new ATOM 0 HD12 ILE A 417 59.628 -2.787 -7.131 1.00 0.00 H new ATOM 0 HD13 ILE A 417 58.253 -3.714 -6.484 1.00 0.00 H new ATOM 181 N THR A 418 61.081 -3.172 -8.897 1.00 0.00 N ATOM 182 CA THR A 418 61.467 -1.760 -9.167 1.00 0.00 C ATOM 183 C THR A 418 60.724 -0.811 -8.220 1.00 0.00 C ATOM 184 O THR A 418 59.630 -0.361 -8.505 1.00 0.00 O ATOM 185 CB THR A 418 61.052 -1.509 -10.616 1.00 0.00 C ATOM 186 OG1 THR A 418 59.891 -2.270 -10.918 1.00 0.00 O ATOM 187 CG2 THR A 418 62.191 -1.913 -11.553 1.00 0.00 C ATOM 0 H THR A 418 60.116 -3.409 -9.127 1.00 0.00 H new ATOM 0 HA THR A 418 62.532 -1.587 -9.011 1.00 0.00 H new ATOM 0 HB THR A 418 60.833 -0.450 -10.751 1.00 0.00 H new ATOM 0 HG1 THR A 418 59.625 -2.107 -11.847 1.00 0.00 H new ATOM 0 HG21 THR A 418 61.893 -1.733 -12.586 1.00 0.00 H new ATOM 0 HG22 THR A 418 63.078 -1.323 -11.323 1.00 0.00 H new ATOM 0 HG23 THR A 418 62.415 -2.971 -11.419 1.00 0.00 H new ATOM 195 N CYS A 419 61.318 -0.500 -7.103 1.00 0.00 N ATOM 196 CA CYS A 419 60.670 0.426 -6.126 1.00 0.00 C ATOM 197 C CYS A 419 60.473 1.813 -6.758 1.00 0.00 C ATOM 198 O CYS A 419 59.693 2.617 -6.284 1.00 0.00 O ATOM 199 CB CYS A 419 61.650 0.465 -4.946 1.00 0.00 C ATOM 200 SG CYS A 419 62.795 1.861 -5.097 1.00 0.00 S ATOM 0 H CYS A 419 62.233 -0.850 -6.820 1.00 0.00 H new ATOM 0 HA CYS A 419 59.677 0.102 -5.815 1.00 0.00 H new ATOM 0 HB2 CYS A 419 61.096 0.545 -4.011 1.00 0.00 H new ATOM 0 HB3 CYS A 419 62.212 -0.468 -4.905 1.00 0.00 H new ATOM 0 HG CYS A 419 64.019 1.424 -5.064 1.00 0.00 H new ATOM 205 N CYS A 420 61.181 2.096 -7.821 1.00 0.00 N ATOM 206 CA CYS A 420 61.048 3.426 -8.486 1.00 0.00 C ATOM 207 C CYS A 420 61.167 3.259 -10.009 1.00 0.00 C ATOM 208 O CYS A 420 61.219 2.148 -10.499 1.00 0.00 O ATOM 209 CB CYS A 420 62.213 4.250 -7.929 1.00 0.00 C ATOM 210 SG CYS A 420 61.571 5.700 -7.054 1.00 0.00 S ATOM 0 H CYS A 420 61.848 1.460 -8.258 1.00 0.00 H new ATOM 0 HA CYS A 420 60.087 3.905 -8.297 1.00 0.00 H new ATOM 0 HB2 CYS A 420 62.812 3.640 -7.252 1.00 0.00 H new ATOM 0 HB3 CYS A 420 62.870 4.564 -8.740 1.00 0.00 H new ATOM 0 HG CYS A 420 60.557 5.350 -6.320 1.00 0.00 H new ATOM 216 N PRO A 421 61.206 4.364 -10.717 1.00 0.00 N ATOM 217 CA PRO A 421 61.318 4.303 -12.192 1.00 0.00 C ATOM 218 C PRO A 421 62.765 4.013 -12.597 1.00 0.00 C ATOM 219 O PRO A 421 63.025 3.361 -13.590 1.00 0.00 O ATOM 220 CB PRO A 421 60.882 5.692 -12.644 1.00 0.00 C ATOM 221 CG PRO A 421 61.143 6.595 -11.478 1.00 0.00 C ATOM 222 CD PRO A 421 61.153 5.748 -10.228 1.00 0.00 C ATOM 0 HA PRO A 421 60.715 3.515 -12.642 1.00 0.00 H new ATOM 0 HB2 PRO A 421 61.443 6.013 -13.522 1.00 0.00 H new ATOM 0 HB3 PRO A 421 59.827 5.702 -12.919 1.00 0.00 H new ATOM 0 HG2 PRO A 421 62.097 7.108 -11.599 1.00 0.00 H new ATOM 0 HG3 PRO A 421 60.374 7.364 -11.411 1.00 0.00 H new ATOM 0 HD2 PRO A 421 62.013 5.979 -9.600 1.00 0.00 H new ATOM 0 HD3 PRO A 421 60.262 5.921 -9.625 1.00 0.00 H new ATOM 230 N THR A 422 63.708 4.483 -11.827 1.00 0.00 N ATOM 231 CA THR A 422 65.141 4.229 -12.149 1.00 0.00 C ATOM 232 C THR A 422 65.758 3.345 -11.063 1.00 0.00 C ATOM 233 O THR A 422 66.853 3.590 -10.593 1.00 0.00 O ATOM 234 CB THR A 422 65.799 5.609 -12.160 1.00 0.00 C ATOM 235 OG1 THR A 422 65.485 6.290 -10.952 1.00 0.00 O ATOM 236 CG2 THR A 422 65.280 6.416 -13.350 1.00 0.00 C ATOM 0 H THR A 422 63.547 5.035 -10.984 1.00 0.00 H new ATOM 0 HA THR A 422 65.274 3.715 -13.101 1.00 0.00 H new ATOM 0 HB THR A 422 66.880 5.495 -12.245 1.00 0.00 H new ATOM 0 HG1 THR A 422 65.907 7.174 -10.956 1.00 0.00 H new ATOM 0 HG21 THR A 422 65.750 7.399 -13.356 1.00 0.00 H new ATOM 0 HG22 THR A 422 65.520 5.894 -14.276 1.00 0.00 H new ATOM 0 HG23 THR A 422 64.199 6.531 -13.268 1.00 0.00 H new ATOM 244 N CYS A 423 65.053 2.324 -10.654 1.00 0.00 N ATOM 245 CA CYS A 423 65.577 1.422 -9.587 1.00 0.00 C ATOM 246 C CYS A 423 66.404 0.286 -10.197 1.00 0.00 C ATOM 247 O CYS A 423 66.116 -0.203 -11.271 1.00 0.00 O ATOM 248 CB CYS A 423 64.325 0.869 -8.902 1.00 0.00 C ATOM 249 SG CYS A 423 64.807 -0.252 -7.565 1.00 0.00 S ATOM 0 H CYS A 423 64.132 2.075 -11.015 1.00 0.00 H new ATOM 0 HA CYS A 423 66.235 1.943 -8.891 1.00 0.00 H new ATOM 0 HB2 CYS A 423 63.724 1.687 -8.505 1.00 0.00 H new ATOM 0 HB3 CYS A 423 63.705 0.341 -9.627 1.00 0.00 H new ATOM 0 HG CYS A 423 65.286 0.437 -6.572 1.00 0.00 H new ATOM 254 N ASP A 424 67.428 -0.140 -9.505 1.00 0.00 N ATOM 255 CA ASP A 424 68.281 -1.247 -10.021 1.00 0.00 C ATOM 256 C ASP A 424 68.580 -2.240 -8.893 1.00 0.00 C ATOM 257 O ASP A 424 69.647 -2.816 -8.825 1.00 0.00 O ATOM 258 CB ASP A 424 69.566 -0.566 -10.494 1.00 0.00 C ATOM 259 CG ASP A 424 70.191 0.223 -9.340 1.00 0.00 C ATOM 260 OD1 ASP A 424 69.805 1.364 -9.151 1.00 0.00 O ATOM 261 OD2 ASP A 424 71.044 -0.329 -8.665 1.00 0.00 O ATOM 0 H ASP A 424 67.710 0.235 -8.599 1.00 0.00 H new ATOM 0 HA ASP A 424 67.801 -1.808 -10.823 1.00 0.00 H new ATOM 0 HB2 ASP A 424 70.271 -1.313 -10.859 1.00 0.00 H new ATOM 0 HB3 ASP A 424 69.349 0.102 -11.327 1.00 0.00 H new ATOM 266 N VAL A 425 67.642 -2.437 -8.003 1.00 0.00 N ATOM 267 CA VAL A 425 67.864 -3.385 -6.871 1.00 0.00 C ATOM 268 C VAL A 425 67.839 -4.831 -7.377 1.00 0.00 C ATOM 269 O VAL A 425 66.865 -5.289 -7.942 1.00 0.00 O ATOM 270 CB VAL A 425 66.709 -3.114 -5.900 1.00 0.00 C ATOM 271 CG1 VAL A 425 66.619 -4.227 -4.850 1.00 0.00 C ATOM 272 CG2 VAL A 425 66.960 -1.783 -5.194 1.00 0.00 C ATOM 0 H VAL A 425 66.730 -1.981 -8.012 1.00 0.00 H new ATOM 0 HA VAL A 425 68.833 -3.246 -6.391 1.00 0.00 H new ATOM 0 HB VAL A 425 65.774 -3.080 -6.459 1.00 0.00 H new ATOM 0 HG11 VAL A 425 65.794 -4.019 -4.169 1.00 0.00 H new ATOM 0 HG12 VAL A 425 66.448 -5.182 -5.346 1.00 0.00 H new ATOM 0 HG13 VAL A 425 67.551 -4.273 -4.287 1.00 0.00 H new ATOM 0 HG21 VAL A 425 66.144 -1.580 -4.500 1.00 0.00 H new ATOM 0 HG22 VAL A 425 67.900 -1.834 -4.644 1.00 0.00 H new ATOM 0 HG23 VAL A 425 67.015 -0.984 -5.933 1.00 0.00 H new ATOM 282 N ASP A 426 68.910 -5.546 -7.173 1.00 0.00 N ATOM 283 CA ASP A 426 68.972 -6.964 -7.629 1.00 0.00 C ATOM 284 C ASP A 426 70.107 -7.690 -6.903 1.00 0.00 C ATOM 285 O ASP A 426 71.204 -7.179 -6.785 1.00 0.00 O ATOM 286 CB ASP A 426 69.247 -6.890 -9.133 1.00 0.00 C ATOM 287 CG ASP A 426 70.563 -6.148 -9.383 1.00 0.00 C ATOM 288 OD1 ASP A 426 71.605 -6.763 -9.233 1.00 0.00 O ATOM 289 OD2 ASP A 426 70.504 -4.976 -9.719 1.00 0.00 O ATOM 0 H ASP A 426 69.751 -5.207 -6.707 1.00 0.00 H new ATOM 0 HA ASP A 426 68.054 -7.512 -7.418 1.00 0.00 H new ATOM 0 HB2 ASP A 426 69.300 -7.895 -9.552 1.00 0.00 H new ATOM 0 HB3 ASP A 426 68.428 -6.377 -9.637 1.00 0.00 H new ATOM 294 N ILE A 427 69.853 -8.871 -6.408 1.00 0.00 N ATOM 295 CA ILE A 427 70.918 -9.622 -5.680 1.00 0.00 C ATOM 296 C ILE A 427 72.184 -9.739 -6.538 1.00 0.00 C ATOM 297 O ILE A 427 73.275 -9.901 -6.026 1.00 0.00 O ATOM 298 CB ILE A 427 70.319 -11.001 -5.401 1.00 0.00 C ATOM 299 CG1 ILE A 427 71.320 -11.835 -4.593 1.00 0.00 C ATOM 300 CG2 ILE A 427 70.009 -11.708 -6.723 1.00 0.00 C ATOM 301 CD1 ILE A 427 70.764 -12.081 -3.188 1.00 0.00 C ATOM 0 H ILE A 427 68.954 -9.349 -6.476 1.00 0.00 H new ATOM 0 HA ILE A 427 71.215 -9.117 -4.761 1.00 0.00 H new ATOM 0 HB ILE A 427 69.396 -10.887 -4.832 1.00 0.00 H new ATOM 0 HG12 ILE A 427 71.505 -12.785 -5.094 1.00 0.00 H new ATOM 0 HG13 ILE A 427 72.276 -11.315 -4.531 1.00 0.00 H new ATOM 0 HG21 ILE A 427 69.582 -12.690 -6.519 1.00 0.00 H new ATOM 0 HG22 ILE A 427 69.296 -11.114 -7.295 1.00 0.00 H new ATOM 0 HG23 ILE A 427 70.928 -11.824 -7.298 1.00 0.00 H new ATOM 0 HD11 ILE A 427 71.476 -12.674 -2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 427 70.601 -11.126 -2.689 1.00 0.00 H new ATOM 0 HD13 ILE A 427 69.819 -12.619 -3.260 1.00 0.00 H new ATOM 313 N ASN A 428 72.049 -9.651 -7.836 1.00 0.00 N ATOM 314 CA ASN A 428 73.252 -9.750 -8.719 1.00 0.00 C ATOM 315 C ASN A 428 74.310 -8.734 -8.277 1.00 0.00 C ATOM 316 O ASN A 428 75.492 -8.921 -8.488 1.00 0.00 O ATOM 317 CB ASN A 428 72.744 -9.420 -10.124 1.00 0.00 C ATOM 318 CG ASN A 428 73.630 -10.108 -11.167 1.00 0.00 C ATOM 319 OD1 ASN A 428 74.634 -10.706 -10.832 1.00 0.00 O ATOM 320 ND2 ASN A 428 73.297 -10.047 -12.428 1.00 0.00 N ATOM 0 H ASN A 428 71.163 -9.515 -8.322 1.00 0.00 H new ATOM 0 HA ASN A 428 73.717 -10.735 -8.678 1.00 0.00 H new ATOM 0 HB2 ASN A 428 71.711 -9.750 -10.235 1.00 0.00 H new ATOM 0 HB3 ASN A 428 72.752 -8.341 -10.280 1.00 0.00 H new ATOM 0 HD21 ASN A 428 73.879 -10.501 -13.132 1.00 0.00 H new ATOM 0 HD22 ASN A 428 72.455 -9.545 -12.709 1.00 0.00 H new ATOM 327 N THR A 429 73.889 -7.663 -7.658 1.00 0.00 N ATOM 328 CA THR A 429 74.860 -6.633 -7.189 1.00 0.00 C ATOM 329 C THR A 429 74.353 -5.980 -5.897 1.00 0.00 C ATOM 330 O THR A 429 74.779 -4.902 -5.529 1.00 0.00 O ATOM 331 CB THR A 429 74.933 -5.606 -8.324 1.00 0.00 C ATOM 332 OG1 THR A 429 75.867 -4.592 -7.983 1.00 0.00 O ATOM 333 CG2 THR A 429 73.555 -4.977 -8.548 1.00 0.00 C ATOM 0 H THR A 429 72.911 -7.457 -7.457 1.00 0.00 H new ATOM 0 HA THR A 429 75.839 -7.058 -6.966 1.00 0.00 H new ATOM 0 HB THR A 429 75.251 -6.105 -9.240 1.00 0.00 H new ATOM 0 HG1 THR A 429 75.796 -4.390 -7.027 1.00 0.00 H new ATOM 0 HG21 THR A 429 73.615 -4.248 -9.356 1.00 0.00 H new ATOM 0 HG22 THR A 429 72.839 -5.755 -8.813 1.00 0.00 H new ATOM 0 HG23 THR A 429 73.229 -4.480 -7.634 1.00 0.00 H new ATOM 341 N TRP A 430 73.447 -6.625 -5.207 1.00 0.00 N ATOM 342 CA TRP A 430 72.915 -6.041 -3.942 1.00 0.00 C ATOM 343 C TRP A 430 73.650 -6.621 -2.730 1.00 0.00 C ATOM 344 O TRP A 430 74.445 -7.532 -2.850 1.00 0.00 O ATOM 345 CB TRP A 430 71.447 -6.457 -3.885 1.00 0.00 C ATOM 346 CG TRP A 430 70.791 -5.766 -2.749 1.00 0.00 C ATOM 347 CD1 TRP A 430 70.414 -4.468 -2.687 1.00 0.00 C ATOM 348 CD2 TRP A 430 70.457 -6.350 -1.491 1.00 0.00 C ATOM 349 NE1 TRP A 430 69.860 -4.234 -1.435 1.00 0.00 N ATOM 350 CE2 TRP A 430 69.868 -5.382 -0.660 1.00 0.00 C ATOM 351 CE3 TRP A 430 70.621 -7.638 -1.021 1.00 0.00 C ATOM 352 CZ2 TRP A 430 69.450 -5.698 0.633 1.00 0.00 C ATOM 353 CZ3 TRP A 430 70.207 -7.979 0.276 1.00 0.00 C ATOM 354 CH2 TRP A 430 69.621 -7.007 1.105 1.00 0.00 C ATOM 0 H TRP A 430 73.054 -7.530 -5.466 1.00 0.00 H new ATOM 0 HA TRP A 430 73.045 -4.959 -3.922 1.00 0.00 H new ATOM 0 HB2 TRP A 430 70.947 -6.202 -4.820 1.00 0.00 H new ATOM 0 HB3 TRP A 430 71.367 -7.537 -3.765 1.00 0.00 H new ATOM 0 HD1 TRP A 430 70.525 -3.739 -3.476 1.00 0.00 H new ATOM 0 HE1 TRP A 430 69.495 -3.333 -1.126 1.00 0.00 H new ATOM 0 HE3 TRP A 430 71.071 -8.388 -1.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 430 69.001 -4.944 1.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 430 70.339 -8.988 0.637 1.00 0.00 H new ATOM 0 HH2 TRP A 430 69.303 -7.268 2.104 1.00 0.00 H new ATOM 365 N VAL A 431 73.373 -6.104 -1.563 1.00 0.00 N ATOM 366 CA VAL A 431 74.030 -6.621 -0.330 1.00 0.00 C ATOM 367 C VAL A 431 73.231 -6.181 0.901 1.00 0.00 C ATOM 368 O VAL A 431 72.587 -5.149 0.885 1.00 0.00 O ATOM 369 CB VAL A 431 75.440 -6.019 -0.348 1.00 0.00 C ATOM 370 CG1 VAL A 431 75.369 -4.523 -0.670 1.00 0.00 C ATOM 371 CG2 VAL A 431 76.131 -6.210 1.007 1.00 0.00 C ATOM 0 H VAL A 431 72.715 -5.340 -1.411 1.00 0.00 H new ATOM 0 HA VAL A 431 74.075 -7.709 -0.292 1.00 0.00 H new ATOM 0 HB VAL A 431 76.017 -6.534 -1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 431 76.376 -4.105 -0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 431 74.908 -4.383 -1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 431 74.773 -4.015 0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 431 77.130 -5.775 0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 431 75.549 -5.717 1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 431 76.207 -7.274 1.230 1.00 0.00 H new ATOM 381 N PRO A 432 73.282 -6.992 1.924 1.00 0.00 N ATOM 382 CA PRO A 432 72.538 -6.693 3.166 1.00 0.00 C ATOM 383 C PRO A 432 73.285 -5.660 4.013 1.00 0.00 C ATOM 384 O PRO A 432 74.340 -5.927 4.553 1.00 0.00 O ATOM 385 CB PRO A 432 72.466 -8.044 3.872 1.00 0.00 C ATOM 386 CG PRO A 432 73.628 -8.835 3.351 1.00 0.00 C ATOM 387 CD PRO A 432 74.036 -8.248 2.020 1.00 0.00 C ATOM 0 HA PRO A 432 71.553 -6.263 2.983 1.00 0.00 H new ATOM 0 HB2 PRO A 432 72.527 -7.924 4.954 1.00 0.00 H new ATOM 0 HB3 PRO A 432 71.523 -8.547 3.660 1.00 0.00 H new ATOM 0 HG2 PRO A 432 74.460 -8.798 4.054 1.00 0.00 H new ATOM 0 HG3 PRO A 432 73.354 -9.884 3.237 1.00 0.00 H new ATOM 0 HD2 PRO A 432 75.111 -8.070 1.978 1.00 0.00 H new ATOM 0 HD3 PRO A 432 73.792 -8.921 1.198 1.00 0.00 H new ATOM 395 N PHE A 433 72.735 -4.480 4.132 1.00 0.00 N ATOM 396 CA PHE A 433 73.397 -3.416 4.942 1.00 0.00 C ATOM 397 C PHE A 433 72.608 -3.170 6.232 1.00 0.00 C ATOM 398 O PHE A 433 73.134 -2.667 7.206 1.00 0.00 O ATOM 399 CB PHE A 433 73.364 -2.172 4.051 1.00 0.00 C ATOM 400 CG PHE A 433 74.669 -1.423 4.175 1.00 0.00 C ATOM 401 CD1 PHE A 433 75.101 -0.969 5.426 1.00 0.00 C ATOM 402 CD2 PHE A 433 75.447 -1.182 3.036 1.00 0.00 C ATOM 403 CE1 PHE A 433 76.311 -0.274 5.539 1.00 0.00 C ATOM 404 CE2 PHE A 433 76.656 -0.487 3.148 1.00 0.00 C ATOM 405 CZ PHE A 433 77.088 -0.033 4.401 1.00 0.00 C ATOM 0 H PHE A 433 71.852 -4.207 3.701 1.00 0.00 H new ATOM 0 HA PHE A 433 74.412 -3.685 5.235 1.00 0.00 H new ATOM 0 HB2 PHE A 433 73.196 -2.460 3.013 1.00 0.00 H new ATOM 0 HB3 PHE A 433 72.534 -1.527 4.341 1.00 0.00 H new ATOM 0 HD1 PHE A 433 74.501 -1.155 6.305 1.00 0.00 H new ATOM 0 HD2 PHE A 433 75.114 -1.533 2.071 1.00 0.00 H new ATOM 0 HE1 PHE A 433 76.645 0.076 6.505 1.00 0.00 H new ATOM 0 HE2 PHE A 433 77.256 -0.301 2.269 1.00 0.00 H new ATOM 0 HZ PHE A 433 78.021 0.503 4.488 1.00 0.00 H new ATOM 415 N TYR A 434 71.349 -3.517 6.241 1.00 0.00 N ATOM 416 CA TYR A 434 70.518 -3.300 7.464 1.00 0.00 C ATOM 417 C TYR A 434 70.820 -4.381 8.505 1.00 0.00 C ATOM 418 O TYR A 434 71.432 -5.388 8.207 1.00 0.00 O ATOM 419 CB TYR A 434 69.064 -3.407 6.991 1.00 0.00 C ATOM 420 CG TYR A 434 68.869 -2.596 5.731 1.00 0.00 C ATOM 421 CD1 TYR A 434 69.167 -1.229 5.725 1.00 0.00 C ATOM 422 CD2 TYR A 434 68.400 -3.215 4.566 1.00 0.00 C ATOM 423 CE1 TYR A 434 68.993 -0.480 4.555 1.00 0.00 C ATOM 424 CE2 TYR A 434 68.225 -2.467 3.398 1.00 0.00 C ATOM 425 CZ TYR A 434 68.522 -1.099 3.392 1.00 0.00 C ATOM 426 OH TYR A 434 68.349 -0.361 2.239 1.00 0.00 O ATOM 0 H TYR A 434 70.858 -3.942 5.454 1.00 0.00 H new ATOM 0 HA TYR A 434 70.722 -2.337 7.931 1.00 0.00 H new ATOM 0 HB2 TYR A 434 68.809 -4.450 6.805 1.00 0.00 H new ATOM 0 HB3 TYR A 434 68.392 -3.049 7.771 1.00 0.00 H new ATOM 0 HD1 TYR A 434 69.531 -0.752 6.623 1.00 0.00 H new ATOM 0 HD2 TYR A 434 68.173 -4.271 4.570 1.00 0.00 H new ATOM 0 HE1 TYR A 434 69.222 0.575 4.550 1.00 0.00 H new ATOM 0 HE2 TYR A 434 67.861 -2.944 2.500 1.00 0.00 H new ATOM 0 HH TYR A 434 68.017 -0.944 1.524 1.00 0.00 H new ATOM 436 N SER A 435 70.391 -4.180 9.723 1.00 0.00 N ATOM 437 CA SER A 435 70.648 -5.197 10.783 1.00 0.00 C ATOM 438 C SER A 435 69.458 -6.153 10.893 1.00 0.00 C ATOM 439 O SER A 435 69.606 -7.306 11.246 1.00 0.00 O ATOM 440 CB SER A 435 70.813 -4.394 12.072 1.00 0.00 C ATOM 441 OG SER A 435 72.197 -4.187 12.322 1.00 0.00 O ATOM 0 H SER A 435 69.874 -3.356 10.029 1.00 0.00 H new ATOM 0 HA SER A 435 71.527 -5.805 10.569 1.00 0.00 H new ATOM 0 HB2 SER A 435 70.300 -3.436 11.986 1.00 0.00 H new ATOM 0 HB3 SER A 435 70.356 -4.926 12.907 1.00 0.00 H new ATOM 0 HG SER A 435 72.307 -3.670 13.148 1.00 0.00 H new ATOM 447 N THR A 436 68.278 -5.681 10.588 1.00 0.00 N ATOM 448 CA THR A 436 67.076 -6.560 10.668 1.00 0.00 C ATOM 449 C THR A 436 67.022 -7.486 9.451 1.00 0.00 C ATOM 450 O THR A 436 66.490 -8.577 9.512 1.00 0.00 O ATOM 451 CB THR A 436 65.882 -5.604 10.670 1.00 0.00 C ATOM 452 OG1 THR A 436 66.040 -4.651 9.629 1.00 0.00 O ATOM 453 CG2 THR A 436 65.806 -4.882 12.017 1.00 0.00 C ATOM 0 H THR A 436 68.095 -4.724 10.287 1.00 0.00 H new ATOM 0 HA THR A 436 67.086 -7.196 11.553 1.00 0.00 H new ATOM 0 HB THR A 436 64.963 -6.169 10.511 1.00 0.00 H new ATOM 0 HG1 THR A 436 66.044 -5.110 8.763 1.00 0.00 H new ATOM 0 HG21 THR A 436 64.955 -4.201 12.017 1.00 0.00 H new ATOM 0 HG22 THR A 436 65.686 -5.614 12.816 1.00 0.00 H new ATOM 0 HG23 THR A 436 66.723 -4.316 12.179 1.00 0.00 H new ATOM 461 N GLU A 437 67.571 -7.057 8.346 1.00 0.00 N ATOM 462 CA GLU A 437 67.558 -7.908 7.120 1.00 0.00 C ATOM 463 C GLU A 437 68.884 -8.663 6.991 1.00 0.00 C ATOM 464 O GLU A 437 69.937 -8.142 7.303 1.00 0.00 O ATOM 465 CB GLU A 437 67.382 -6.930 5.958 1.00 0.00 C ATOM 466 CG GLU A 437 65.904 -6.850 5.574 1.00 0.00 C ATOM 467 CD GLU A 437 65.109 -6.226 6.723 1.00 0.00 C ATOM 468 OE1 GLU A 437 65.563 -5.228 7.257 1.00 0.00 O ATOM 469 OE2 GLU A 437 64.061 -6.759 7.050 1.00 0.00 O ATOM 0 H GLU A 437 68.029 -6.152 8.239 1.00 0.00 H new ATOM 0 HA GLU A 437 66.765 -8.656 7.144 1.00 0.00 H new ATOM 0 HB2 GLU A 437 67.748 -5.943 6.241 1.00 0.00 H new ATOM 0 HB3 GLU A 437 67.973 -7.256 5.102 1.00 0.00 H new ATOM 0 HG2 GLU A 437 65.784 -6.254 4.670 1.00 0.00 H new ATOM 0 HG3 GLU A 437 65.521 -7.846 5.352 1.00 0.00 H new ATOM 476 N LEU A 438 68.840 -9.886 6.535 1.00 0.00 N ATOM 477 CA LEU A 438 70.099 -10.673 6.387 1.00 0.00 C ATOM 478 C LEU A 438 70.409 -10.903 4.905 1.00 0.00 C ATOM 479 O LEU A 438 71.554 -10.964 4.504 1.00 0.00 O ATOM 480 CB LEU A 438 69.820 -12.001 7.091 1.00 0.00 C ATOM 481 CG LEU A 438 70.117 -11.858 8.584 1.00 0.00 C ATOM 482 CD1 LEU A 438 69.623 -13.101 9.326 1.00 0.00 C ATOM 483 CD2 LEU A 438 71.625 -11.710 8.791 1.00 0.00 C ATOM 0 H LEU A 438 67.988 -10.374 6.259 1.00 0.00 H new ATOM 0 HA LEU A 438 70.960 -10.159 6.814 1.00 0.00 H new ATOM 0 HB2 LEU A 438 68.780 -12.292 6.942 1.00 0.00 H new ATOM 0 HB3 LEU A 438 70.437 -12.790 6.660 1.00 0.00 H new ATOM 0 HG LEU A 438 69.606 -10.977 8.972 1.00 0.00 H new ATOM 0 HD11 LEU A 438 69.835 -12.998 10.390 1.00 0.00 H new ATOM 0 HD12 LEU A 438 68.548 -13.209 9.179 1.00 0.00 H new ATOM 0 HD13 LEU A 438 70.133 -13.983 8.938 1.00 0.00 H new ATOM 0 HD21 LEU A 438 71.838 -11.608 9.855 1.00 0.00 H new ATOM 0 HD22 LEU A 438 72.134 -12.592 8.402 1.00 0.00 H new ATOM 0 HD23 LEU A 438 71.979 -10.824 8.264 1.00 0.00 H new ATOM 495 N ASN A 439 69.395 -11.030 4.090 1.00 0.00 N ATOM 496 CA ASN A 439 69.630 -11.254 2.634 1.00 0.00 C ATOM 497 C ASN A 439 68.482 -10.657 1.814 1.00 0.00 C ATOM 498 O ASN A 439 68.006 -11.256 0.870 1.00 0.00 O ATOM 499 CB ASN A 439 69.682 -12.775 2.467 1.00 0.00 C ATOM 500 CG ASN A 439 68.359 -13.392 2.931 1.00 0.00 C ATOM 501 OD1 ASN A 439 68.151 -13.593 4.111 1.00 0.00 O ATOM 502 ND2 ASN A 439 67.453 -13.703 2.046 1.00 0.00 N ATOM 0 H ASN A 439 68.415 -10.988 4.370 1.00 0.00 H new ATOM 0 HA ASN A 439 70.547 -10.778 2.286 1.00 0.00 H new ATOM 0 HB2 ASN A 439 69.867 -13.030 1.423 1.00 0.00 H new ATOM 0 HB3 ASN A 439 70.509 -13.186 3.046 1.00 0.00 H new ATOM 0 HD21 ASN A 439 66.569 -14.115 2.344 1.00 0.00 H new ATOM 0 HD22 ASN A 439 67.628 -13.534 1.056 1.00 0.00 H new ATOM 509 N LYS A 440 68.035 -9.481 2.168 1.00 0.00 N ATOM 510 CA LYS A 440 66.919 -8.846 1.409 1.00 0.00 C ATOM 511 C LYS A 440 66.776 -7.369 1.807 1.00 0.00 C ATOM 512 O LYS A 440 66.990 -7.015 2.949 1.00 0.00 O ATOM 513 CB LYS A 440 65.664 -9.633 1.801 1.00 0.00 C ATOM 514 CG LYS A 440 65.530 -9.674 3.327 1.00 0.00 C ATOM 515 CD LYS A 440 64.059 -9.511 3.716 1.00 0.00 C ATOM 516 CE LYS A 440 63.766 -10.346 4.966 1.00 0.00 C ATOM 517 NZ LYS A 440 63.145 -11.599 4.453 1.00 0.00 N ATOM 0 H LYS A 440 68.395 -8.933 2.950 1.00 0.00 H new ATOM 0 HA LYS A 440 67.091 -8.869 0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 440 64.781 -9.169 1.362 1.00 0.00 H new ATOM 0 HB3 LYS A 440 65.721 -10.647 1.405 1.00 0.00 H new ATOM 0 HG2 LYS A 440 65.916 -10.618 3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 440 66.126 -8.880 3.776 1.00 0.00 H new ATOM 0 HD2 LYS A 440 63.836 -8.461 3.907 1.00 0.00 H new ATOM 0 HD3 LYS A 440 63.417 -9.829 2.894 1.00 0.00 H new ATOM 0 HE2 LYS A 440 64.679 -10.557 5.523 1.00 0.00 H new ATOM 0 HE3 LYS A 440 63.093 -9.820 5.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 62.915 -12.225 5.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 62.275 -11.367 3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 63.811 -12.081 3.816 1.00 0.00 H new ATOM 531 N PRO A 441 66.421 -6.552 0.846 1.00 0.00 N ATOM 532 CA PRO A 441 66.254 -5.099 1.104 1.00 0.00 C ATOM 533 C PRO A 441 65.034 -4.833 1.989 1.00 0.00 C ATOM 534 O PRO A 441 64.014 -5.484 1.875 1.00 0.00 O ATOM 535 CB PRO A 441 66.057 -4.505 -0.290 1.00 0.00 C ATOM 536 CG PRO A 441 65.543 -5.635 -1.122 1.00 0.00 C ATOM 537 CD PRO A 441 66.145 -6.894 -0.557 1.00 0.00 C ATOM 0 HA PRO A 441 67.102 -4.665 1.633 1.00 0.00 H new ATOM 0 HB2 PRO A 441 65.349 -3.676 -0.270 1.00 0.00 H new ATOM 0 HB3 PRO A 441 66.993 -4.115 -0.689 1.00 0.00 H new ATOM 0 HG2 PRO A 441 64.454 -5.677 -1.088 1.00 0.00 H new ATOM 0 HG3 PRO A 441 65.825 -5.506 -2.167 1.00 0.00 H new ATOM 0 HD2 PRO A 441 65.458 -7.736 -0.636 1.00 0.00 H new ATOM 0 HD3 PRO A 441 67.055 -7.175 -1.087 1.00 0.00 H new ATOM 545 N ALA A 442 65.136 -3.870 2.868 1.00 0.00 N ATOM 546 CA ALA A 442 63.992 -3.540 3.765 1.00 0.00 C ATOM 547 C ALA A 442 63.112 -2.472 3.113 1.00 0.00 C ATOM 548 O ALA A 442 63.282 -1.290 3.342 1.00 0.00 O ATOM 549 CB ALA A 442 64.636 -3.001 5.043 1.00 0.00 C ATOM 0 H ALA A 442 65.968 -3.296 3.003 1.00 0.00 H new ATOM 0 HA ALA A 442 63.355 -4.402 3.965 1.00 0.00 H new ATOM 0 HB1 ALA A 442 63.858 -2.734 5.758 1.00 0.00 H new ATOM 0 HB2 ALA A 442 65.280 -3.766 5.477 1.00 0.00 H new ATOM 0 HB3 ALA A 442 65.230 -2.118 4.807 1.00 0.00 H new ATOM 555 N MET A 443 62.179 -2.879 2.297 1.00 0.00 N ATOM 556 CA MET A 443 61.288 -1.891 1.618 1.00 0.00 C ATOM 557 C MET A 443 60.547 -1.034 2.648 1.00 0.00 C ATOM 558 O MET A 443 60.569 -1.308 3.832 1.00 0.00 O ATOM 559 CB MET A 443 60.293 -2.733 0.817 1.00 0.00 C ATOM 560 CG MET A 443 60.965 -3.248 -0.456 1.00 0.00 C ATOM 561 SD MET A 443 59.812 -4.313 -1.356 1.00 0.00 S ATOM 562 CE MET A 443 60.017 -3.545 -2.981 1.00 0.00 C ATOM 0 H MET A 443 61.993 -3.856 2.069 1.00 0.00 H new ATOM 0 HA MET A 443 61.852 -1.207 0.984 1.00 0.00 H new ATOM 0 HB2 MET A 443 59.942 -3.571 1.420 1.00 0.00 H new ATOM 0 HB3 MET A 443 59.418 -2.135 0.562 1.00 0.00 H new ATOM 0 HG2 MET A 443 61.269 -2.411 -1.084 1.00 0.00 H new ATOM 0 HG3 MET A 443 61.869 -3.803 -0.204 1.00 0.00 H new ATOM 0 HE1 MET A 443 59.075 -3.593 -3.528 1.00 0.00 H new ATOM 0 HE2 MET A 443 60.312 -2.503 -2.856 1.00 0.00 H new ATOM 0 HE3 MET A 443 60.788 -4.076 -3.540 1.00 0.00 H new ATOM 572 N ILE A 444 59.883 -0.004 2.197 1.00 0.00 N ATOM 573 CA ILE A 444 59.122 0.875 3.131 1.00 0.00 C ATOM 574 C ILE A 444 57.733 1.145 2.558 1.00 0.00 C ATOM 575 O ILE A 444 57.460 0.867 1.406 1.00 0.00 O ATOM 576 CB ILE A 444 59.932 2.172 3.232 1.00 0.00 C ATOM 577 CG1 ILE A 444 59.139 3.223 4.014 1.00 0.00 C ATOM 578 CG2 ILE A 444 60.237 2.708 1.830 1.00 0.00 C ATOM 579 CD1 ILE A 444 60.051 4.403 4.354 1.00 0.00 C ATOM 0 H ILE A 444 59.835 0.268 1.215 1.00 0.00 H new ATOM 0 HA ILE A 444 58.987 0.420 4.112 1.00 0.00 H new ATOM 0 HB ILE A 444 60.867 1.962 3.751 1.00 0.00 H new ATOM 0 HG12 ILE A 444 58.289 3.565 3.424 1.00 0.00 H new ATOM 0 HG13 ILE A 444 58.737 2.785 4.928 1.00 0.00 H new ATOM 0 HG21 ILE A 444 60.813 3.630 1.910 1.00 0.00 H new ATOM 0 HG22 ILE A 444 60.813 1.968 1.275 1.00 0.00 H new ATOM 0 HG23 ILE A 444 59.303 2.908 1.306 1.00 0.00 H new ATOM 0 HD11 ILE A 444 59.486 5.151 4.911 1.00 0.00 H new ATOM 0 HD12 ILE A 444 60.887 4.054 4.960 1.00 0.00 H new ATOM 0 HD13 ILE A 444 60.431 4.846 3.434 1.00 0.00 H new ATOM 591 N TYR A 445 56.857 1.678 3.360 1.00 0.00 N ATOM 592 CA TYR A 445 55.474 1.962 2.877 1.00 0.00 C ATOM 593 C TYR A 445 55.279 3.462 2.640 1.00 0.00 C ATOM 594 O TYR A 445 55.484 4.272 3.524 1.00 0.00 O ATOM 595 CB TYR A 445 54.561 1.476 4.004 1.00 0.00 C ATOM 596 CG TYR A 445 53.124 1.515 3.544 1.00 0.00 C ATOM 597 CD1 TYR A 445 52.389 2.703 3.641 1.00 0.00 C ATOM 598 CD2 TYR A 445 52.526 0.362 3.023 1.00 0.00 C ATOM 599 CE1 TYR A 445 51.056 2.738 3.217 1.00 0.00 C ATOM 600 CE2 TYR A 445 51.191 0.397 2.597 1.00 0.00 C ATOM 601 CZ TYR A 445 50.457 1.585 2.695 1.00 0.00 C ATOM 602 OH TYR A 445 49.143 1.619 2.277 1.00 0.00 O ATOM 0 H TYR A 445 57.037 1.931 4.332 1.00 0.00 H new ATOM 0 HA TYR A 445 55.262 1.468 1.929 1.00 0.00 H new ATOM 0 HB2 TYR A 445 54.833 0.461 4.294 1.00 0.00 H new ATOM 0 HB3 TYR A 445 54.688 2.104 4.885 1.00 0.00 H new ATOM 0 HD1 TYR A 445 52.851 3.592 4.043 1.00 0.00 H new ATOM 0 HD2 TYR A 445 53.093 -0.554 2.949 1.00 0.00 H new ATOM 0 HE1 TYR A 445 50.489 3.654 3.292 1.00 0.00 H new ATOM 0 HE2 TYR A 445 50.729 -0.492 2.193 1.00 0.00 H new ATOM 0 HH TYR A 445 49.110 1.811 1.317 1.00 0.00 H new ATOM 612 N CYS A 446 54.878 3.839 1.453 1.00 0.00 N ATOM 613 CA CYS A 446 54.663 5.290 1.162 1.00 0.00 C ATOM 614 C CYS A 446 53.313 5.744 1.727 1.00 0.00 C ATOM 615 O CYS A 446 52.338 5.020 1.686 1.00 0.00 O ATOM 616 CB CYS A 446 54.667 5.399 -0.366 1.00 0.00 C ATOM 617 SG CYS A 446 54.436 7.128 -0.858 1.00 0.00 S ATOM 0 H CYS A 446 54.690 3.208 0.674 1.00 0.00 H new ATOM 0 HA CYS A 446 55.429 5.919 1.615 1.00 0.00 H new ATOM 0 HB2 CYS A 446 55.608 5.021 -0.764 1.00 0.00 H new ATOM 0 HB3 CYS A 446 53.872 4.782 -0.786 1.00 0.00 H new ATOM 0 HG CYS A 446 54.409 7.210 -2.155 1.00 0.00 H new ATOM 622 N SER A 447 53.251 6.939 2.252 1.00 0.00 N ATOM 623 CA SER A 447 51.968 7.443 2.818 1.00 0.00 C ATOM 624 C SER A 447 51.206 8.246 1.759 1.00 0.00 C ATOM 625 O SER A 447 50.816 9.375 1.985 1.00 0.00 O ATOM 626 CB SER A 447 52.381 8.345 3.979 1.00 0.00 C ATOM 627 OG SER A 447 53.549 9.072 3.621 1.00 0.00 O ATOM 0 H SER A 447 54.036 7.588 2.313 1.00 0.00 H new ATOM 0 HA SER A 447 51.310 6.637 3.141 1.00 0.00 H new ATOM 0 HB2 SER A 447 51.572 9.033 4.225 1.00 0.00 H new ATOM 0 HB3 SER A 447 52.571 7.746 4.869 1.00 0.00 H new ATOM 0 HG SER A 447 54.294 8.798 4.196 1.00 0.00 H new ATOM 633 N HIS A 448 50.994 7.672 0.605 1.00 0.00 N ATOM 634 CA HIS A 448 50.260 8.401 -0.471 1.00 0.00 C ATOM 635 C HIS A 448 48.770 8.046 -0.435 1.00 0.00 C ATOM 636 O HIS A 448 48.243 7.651 0.587 1.00 0.00 O ATOM 637 CB HIS A 448 50.897 7.922 -1.777 1.00 0.00 C ATOM 638 CG HIS A 448 50.976 9.068 -2.747 1.00 0.00 C ATOM 639 ND1 HIS A 448 51.780 10.174 -2.522 1.00 0.00 N ATOM 640 CD2 HIS A 448 50.357 9.293 -3.951 1.00 0.00 C ATOM 641 CE1 HIS A 448 51.624 11.007 -3.567 1.00 0.00 C ATOM 642 NE2 HIS A 448 50.768 10.519 -4.467 1.00 0.00 N ATOM 0 H HIS A 448 51.297 6.729 0.360 1.00 0.00 H new ATOM 0 HA HIS A 448 50.327 9.483 -0.357 1.00 0.00 H new ATOM 0 HB2 HIS A 448 51.894 7.526 -1.584 1.00 0.00 H new ATOM 0 HB3 HIS A 448 50.309 7.110 -2.204 1.00 0.00 H new ATOM 0 HD1 HIS A 448 52.380 10.328 -1.712 1.00 0.00 H new ATOM 0 HD2 HIS A 448 49.657 8.621 -4.426 1.00 0.00 H new ATOM 0 HE1 HIS A 448 52.130 11.956 -3.666 1.00 0.00 H new ATOM 650 N GLY A 449 48.091 8.185 -1.542 1.00 0.00 N ATOM 651 CA GLY A 449 46.635 7.858 -1.575 1.00 0.00 C ATOM 652 C GLY A 449 46.433 6.377 -1.249 1.00 0.00 C ATOM 653 O GLY A 449 45.493 6.004 -0.576 1.00 0.00 O ATOM 0 H GLY A 449 48.482 8.511 -2.426 1.00 0.00 H new ATOM 0 HA2 GLY A 449 46.097 8.476 -0.856 1.00 0.00 H new ATOM 0 HA3 GLY A 449 46.224 8.083 -2.559 1.00 0.00 H new ATOM 657 N ASP A 450 47.309 5.531 -1.723 1.00 0.00 N ATOM 658 CA ASP A 450 47.169 4.073 -1.441 1.00 0.00 C ATOM 659 C ASP A 450 48.378 3.568 -0.649 1.00 0.00 C ATOM 660 O ASP A 450 48.251 2.755 0.245 1.00 0.00 O ATOM 661 CB ASP A 450 47.107 3.404 -2.816 1.00 0.00 C ATOM 662 CG ASP A 450 48.369 3.742 -3.615 1.00 0.00 C ATOM 663 OD1 ASP A 450 48.365 4.761 -4.286 1.00 0.00 O ATOM 664 OD2 ASP A 450 49.316 2.977 -3.541 1.00 0.00 O ATOM 0 H ASP A 450 48.115 5.787 -2.293 1.00 0.00 H new ATOM 0 HA ASP A 450 46.285 3.852 -0.843 1.00 0.00 H new ATOM 0 HB2 ASP A 450 47.017 2.324 -2.701 1.00 0.00 H new ATOM 0 HB3 ASP A 450 46.222 3.742 -3.356 1.00 0.00 H new ATOM 669 N GLY A 451 49.551 4.048 -0.970 1.00 0.00 N ATOM 670 CA GLY A 451 50.768 3.600 -0.236 1.00 0.00 C ATOM 671 C GLY A 451 51.287 2.298 -0.849 1.00 0.00 C ATOM 672 O GLY A 451 50.565 1.328 -0.975 1.00 0.00 O ATOM 0 H GLY A 451 49.717 4.731 -1.709 1.00 0.00 H new ATOM 0 HA2 GLY A 451 51.539 4.369 -0.285 1.00 0.00 H new ATOM 0 HA3 GLY A 451 50.535 3.450 0.818 1.00 0.00 H new ATOM 676 N HIS A 452 52.541 2.265 -1.216 1.00 0.00 N ATOM 677 CA HIS A 452 53.115 1.020 -1.806 1.00 0.00 C ATOM 678 C HIS A 452 54.410 0.647 -1.095 1.00 0.00 C ATOM 679 O HIS A 452 54.879 1.347 -0.216 1.00 0.00 O ATOM 680 CB HIS A 452 53.377 1.305 -3.292 1.00 0.00 C ATOM 681 CG HIS A 452 54.175 2.570 -3.474 1.00 0.00 C ATOM 682 ND1 HIS A 452 55.366 2.593 -4.186 1.00 0.00 N ATOM 683 CD2 HIS A 452 53.966 3.864 -3.063 1.00 0.00 C ATOM 684 CE1 HIS A 452 55.819 3.861 -4.180 1.00 0.00 C ATOM 685 NE2 HIS A 452 55.002 4.670 -3.507 1.00 0.00 N ATOM 0 H HIS A 452 53.192 3.046 -1.133 1.00 0.00 H new ATOM 0 HA HIS A 452 52.427 0.182 -1.692 1.00 0.00 H new ATOM 0 HB2 HIS A 452 53.914 0.467 -3.736 1.00 0.00 H new ATOM 0 HB3 HIS A 452 52.428 1.392 -3.821 1.00 0.00 H new ATOM 0 HD2 HIS A 452 53.121 4.202 -2.481 1.00 0.00 H new ATOM 0 HE1 HIS A 452 56.731 4.182 -4.661 1.00 0.00 H new ATOM 0 HE2 HIS A 452 55.115 5.672 -3.351 1.00 0.00 H new ATOM 693 N TRP A 453 54.980 -0.463 -1.470 1.00 0.00 N ATOM 694 CA TRP A 453 56.240 -0.920 -0.825 1.00 0.00 C ATOM 695 C TRP A 453 57.441 -0.665 -1.742 1.00 0.00 C ATOM 696 O TRP A 453 57.451 -1.065 -2.890 1.00 0.00 O ATOM 697 CB TRP A 453 56.034 -2.419 -0.622 1.00 0.00 C ATOM 698 CG TRP A 453 55.396 -2.663 0.708 1.00 0.00 C ATOM 699 CD1 TRP A 453 54.149 -3.154 0.891 1.00 0.00 C ATOM 700 CD2 TRP A 453 55.948 -2.440 2.038 1.00 0.00 C ATOM 701 NE1 TRP A 453 53.899 -3.245 2.248 1.00 0.00 N ATOM 702 CE2 TRP A 453 54.978 -2.818 2.996 1.00 0.00 C ATOM 703 CE3 TRP A 453 57.183 -1.952 2.501 1.00 0.00 C ATOM 704 CZ2 TRP A 453 55.224 -2.714 4.367 1.00 0.00 C ATOM 705 CZ3 TRP A 453 57.434 -1.847 3.880 1.00 0.00 C ATOM 706 CH2 TRP A 453 56.457 -2.227 4.810 1.00 0.00 C ATOM 0 H TRP A 453 54.624 -1.078 -2.202 1.00 0.00 H new ATOM 0 HA TRP A 453 56.446 -0.393 0.107 1.00 0.00 H new ATOM 0 HB2 TRP A 453 55.406 -2.821 -1.417 1.00 0.00 H new ATOM 0 HB3 TRP A 453 56.991 -2.939 -0.678 1.00 0.00 H new ATOM 0 HD1 TRP A 453 53.461 -3.430 0.106 1.00 0.00 H new ATOM 0 HE1 TRP A 453 53.025 -3.586 2.647 1.00 0.00 H new ATOM 0 HE3 TRP A 453 57.943 -1.656 1.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 453 54.467 -3.008 5.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 453 58.386 -1.471 4.225 1.00 0.00 H new ATOM 0 HH2 TRP A 453 56.657 -2.144 5.868 1.00 0.00 H new ATOM 717 N VAL A 454 58.458 -0.010 -1.243 1.00 0.00 N ATOM 718 CA VAL A 454 59.662 0.259 -2.090 1.00 0.00 C ATOM 719 C VAL A 454 60.933 0.277 -1.229 1.00 0.00 C ATOM 720 O VAL A 454 60.909 0.674 -0.082 1.00 0.00 O ATOM 721 CB VAL A 454 59.409 1.627 -2.730 1.00 0.00 C ATOM 722 CG1 VAL A 454 58.159 1.559 -3.610 1.00 0.00 C ATOM 723 CG2 VAL A 454 59.203 2.677 -1.643 1.00 0.00 C ATOM 0 H VAL A 454 58.508 0.349 -0.290 1.00 0.00 H new ATOM 0 HA VAL A 454 59.813 -0.513 -2.845 1.00 0.00 H new ATOM 0 HB VAL A 454 60.271 1.900 -3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 454 57.981 2.533 -4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 454 58.305 0.815 -4.393 1.00 0.00 H new ATOM 0 HG13 VAL A 454 57.300 1.280 -3.000 1.00 0.00 H new ATOM 0 HG21 VAL A 454 59.023 3.648 -2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 454 58.345 2.402 -1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 454 60.093 2.732 -1.017 1.00 0.00 H new ATOM 733 N HIS A 455 62.041 -0.165 -1.776 1.00 0.00 N ATOM 734 CA HIS A 455 63.327 -0.197 -0.999 1.00 0.00 C ATOM 735 C HIS A 455 63.530 1.103 -0.211 1.00 0.00 C ATOM 736 O HIS A 455 62.921 2.116 -0.497 1.00 0.00 O ATOM 737 CB HIS A 455 64.437 -0.355 -2.044 1.00 0.00 C ATOM 738 CG HIS A 455 64.181 -1.568 -2.881 1.00 0.00 C ATOM 739 ND1 HIS A 455 64.064 -1.506 -4.273 1.00 0.00 N ATOM 740 CD2 HIS A 455 63.981 -2.875 -2.541 1.00 0.00 C ATOM 741 CE1 HIS A 455 63.793 -2.755 -4.714 1.00 0.00 C ATOM 742 NE2 HIS A 455 63.739 -3.596 -3.693 1.00 0.00 N ATOM 0 H HIS A 455 62.112 -0.508 -2.734 1.00 0.00 H new ATOM 0 HA HIS A 455 63.326 -1.009 -0.272 1.00 0.00 H new ATOM 0 HB2 HIS A 455 64.481 0.531 -2.677 1.00 0.00 H new ATOM 0 HB3 HIS A 455 65.404 -0.442 -1.549 1.00 0.00 H new ATOM 0 HD2 HIS A 455 64.008 -3.277 -1.539 1.00 0.00 H new ATOM 0 HE1 HIS A 455 63.643 -3.027 -5.748 1.00 0.00 H new ATOM 0 HE2 HIS A 455 63.552 -4.597 -3.748 1.00 0.00 H new ATOM 750 N ALA A 456 64.386 1.076 0.776 1.00 0.00 N ATOM 751 CA ALA A 456 64.639 2.302 1.587 1.00 0.00 C ATOM 752 C ALA A 456 65.911 3.002 1.102 1.00 0.00 C ATOM 753 O ALA A 456 65.921 4.193 0.862 1.00 0.00 O ATOM 754 CB ALA A 456 64.815 1.800 3.021 1.00 0.00 C ATOM 0 H ALA A 456 64.922 0.255 1.056 1.00 0.00 H new ATOM 0 HA ALA A 456 63.828 3.026 1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 456 65.006 2.646 3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 456 63.908 1.287 3.341 1.00 0.00 H new ATOM 0 HB3 ALA A 456 65.657 1.109 3.064 1.00 0.00 H new ATOM 760 N GLN A 457 66.985 2.270 0.953 1.00 0.00 N ATOM 761 CA GLN A 457 68.257 2.894 0.480 1.00 0.00 C ATOM 762 C GLN A 457 68.046 3.528 -0.899 1.00 0.00 C ATOM 763 O GLN A 457 68.667 4.515 -1.240 1.00 0.00 O ATOM 764 CB GLN A 457 69.265 1.742 0.404 1.00 0.00 C ATOM 765 CG GLN A 457 70.586 2.243 -0.190 1.00 0.00 C ATOM 766 CD GLN A 457 71.200 3.298 0.732 1.00 0.00 C ATOM 767 OE1 GLN A 457 70.866 3.373 1.899 1.00 0.00 O ATOM 768 NE2 GLN A 457 72.094 4.123 0.257 1.00 0.00 N ATOM 0 H GLN A 457 67.036 1.268 1.138 1.00 0.00 H new ATOM 0 HA GLN A 457 68.605 3.686 1.143 1.00 0.00 H new ATOM 0 HB2 GLN A 457 69.436 1.331 1.399 1.00 0.00 H new ATOM 0 HB3 GLN A 457 68.863 0.935 -0.209 1.00 0.00 H new ATOM 0 HG2 GLN A 457 71.278 1.410 -0.317 1.00 0.00 H new ATOM 0 HG3 GLN A 457 70.413 2.667 -1.179 1.00 0.00 H new ATOM 0 HE21 GLN A 457 72.376 4.062 -0.721 1.00 0.00 H new ATOM 0 HE22 GLN A 457 72.511 4.829 0.864 1.00 0.00 H new ATOM 777 N CYS A 458 67.166 2.971 -1.691 1.00 0.00 N ATOM 778 CA CYS A 458 66.908 3.548 -3.045 1.00 0.00 C ATOM 779 C CYS A 458 66.509 5.021 -2.918 1.00 0.00 C ATOM 780 O CYS A 458 66.673 5.801 -3.836 1.00 0.00 O ATOM 781 CB CYS A 458 65.752 2.724 -3.617 1.00 0.00 C ATOM 782 SG CYS A 458 66.405 1.221 -4.387 1.00 0.00 S ATOM 0 H CYS A 458 66.616 2.144 -1.460 1.00 0.00 H new ATOM 0 HA CYS A 458 67.788 3.509 -3.687 1.00 0.00 H new ATOM 0 HB2 CYS A 458 65.050 2.464 -2.825 1.00 0.00 H new ATOM 0 HB3 CYS A 458 65.201 3.312 -4.351 1.00 0.00 H new ATOM 0 HG CYS A 458 65.487 0.300 -4.389 1.00 0.00 H new ATOM 787 N MET A 459 65.996 5.407 -1.779 1.00 0.00 N ATOM 788 CA MET A 459 65.593 6.829 -1.578 1.00 0.00 C ATOM 789 C MET A 459 66.615 7.538 -0.684 1.00 0.00 C ATOM 790 O MET A 459 66.294 8.484 0.011 1.00 0.00 O ATOM 791 CB MET A 459 64.233 6.762 -0.880 1.00 0.00 C ATOM 792 CG MET A 459 63.148 6.389 -1.894 1.00 0.00 C ATOM 793 SD MET A 459 63.087 4.590 -2.081 1.00 0.00 S ATOM 794 CE MET A 459 62.083 4.559 -3.587 1.00 0.00 C ATOM 0 H MET A 459 65.839 4.796 -0.977 1.00 0.00 H new ATOM 0 HA MET A 459 65.543 7.383 -2.516 1.00 0.00 H new ATOM 0 HB2 MET A 459 64.262 6.026 -0.077 1.00 0.00 H new ATOM 0 HB3 MET A 459 64.001 7.724 -0.422 1.00 0.00 H new ATOM 0 HG2 MET A 459 62.180 6.763 -1.561 1.00 0.00 H new ATOM 0 HG3 MET A 459 63.357 6.858 -2.855 1.00 0.00 H new ATOM 0 HE1 MET A 459 61.420 3.694 -3.564 1.00 0.00 H new ATOM 0 HE2 MET A 459 61.489 5.471 -3.647 1.00 0.00 H new ATOM 0 HE3 MET A 459 62.735 4.493 -4.458 1.00 0.00 H new ATOM 804 N ASP A 460 67.843 7.083 -0.690 1.00 0.00 N ATOM 805 CA ASP A 460 68.891 7.721 0.166 1.00 0.00 C ATOM 806 C ASP A 460 68.429 7.757 1.626 1.00 0.00 C ATOM 807 O ASP A 460 67.848 8.723 2.079 1.00 0.00 O ATOM 808 CB ASP A 460 69.053 9.141 -0.383 1.00 0.00 C ATOM 809 CG ASP A 460 70.526 9.551 -0.308 1.00 0.00 C ATOM 810 OD1 ASP A 460 71.362 8.752 -0.696 1.00 0.00 O ATOM 811 OD2 ASP A 460 70.790 10.656 0.137 1.00 0.00 O ATOM 0 H ASP A 460 68.166 6.295 -1.252 1.00 0.00 H new ATOM 0 HA ASP A 460 69.832 7.171 0.143 1.00 0.00 H new ATOM 0 HB2 ASP A 460 68.704 9.186 -1.415 1.00 0.00 H new ATOM 0 HB3 ASP A 460 68.441 9.837 0.191 1.00 0.00 H new ATOM 816 N LEU A 461 68.679 6.706 2.362 1.00 0.00 N ATOM 817 CA LEU A 461 68.249 6.673 3.790 1.00 0.00 C ATOM 818 C LEU A 461 69.338 6.050 4.666 1.00 0.00 C ATOM 819 O LEU A 461 70.448 5.816 4.227 1.00 0.00 O ATOM 820 CB LEU A 461 66.996 5.799 3.803 1.00 0.00 C ATOM 821 CG LEU A 461 65.750 6.686 3.771 1.00 0.00 C ATOM 822 CD1 LEU A 461 65.249 6.809 2.332 1.00 0.00 C ATOM 823 CD2 LEU A 461 64.658 6.058 4.641 1.00 0.00 C ATOM 0 H LEU A 461 69.162 5.869 2.035 1.00 0.00 H new ATOM 0 HA LEU A 461 68.061 7.672 4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 461 66.999 5.129 2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 461 66.986 5.173 4.695 1.00 0.00 H new ATOM 0 HG LEU A 461 65.997 7.676 4.154 1.00 0.00 H new ATOM 0 HD11 LEU A 461 64.361 7.441 2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 461 66.028 7.254 1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 461 65.001 5.820 1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 461 63.769 6.688 4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 461 64.411 5.068 4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 461 65.016 5.970 5.667 1.00 0.00 H new ATOM 835 N GLU A 462 69.023 5.778 5.903 1.00 0.00 N ATOM 836 CA GLU A 462 70.026 5.166 6.821 1.00 0.00 C ATOM 837 C GLU A 462 69.374 4.040 7.630 1.00 0.00 C ATOM 838 O GLU A 462 68.166 3.968 7.745 1.00 0.00 O ATOM 839 CB GLU A 462 70.465 6.303 7.743 1.00 0.00 C ATOM 840 CG GLU A 462 71.964 6.182 8.028 1.00 0.00 C ATOM 841 CD GLU A 462 72.756 6.668 6.813 1.00 0.00 C ATOM 842 OE1 GLU A 462 72.608 7.827 6.459 1.00 0.00 O ATOM 843 OE2 GLU A 462 73.495 5.874 6.256 1.00 0.00 O ATOM 0 H GLU A 462 68.109 5.954 6.320 1.00 0.00 H new ATOM 0 HA GLU A 462 70.869 4.730 6.285 1.00 0.00 H new ATOM 0 HB2 GLU A 462 70.249 7.265 7.279 1.00 0.00 H new ATOM 0 HB3 GLU A 462 69.903 6.266 8.676 1.00 0.00 H new ATOM 0 HG2 GLU A 462 72.227 6.772 8.906 1.00 0.00 H new ATOM 0 HG3 GLU A 462 72.220 5.146 8.252 1.00 0.00 H new ATOM 850 N GLU A 463 70.162 3.161 8.191 1.00 0.00 N ATOM 851 CA GLU A 463 69.582 2.043 8.992 1.00 0.00 C ATOM 852 C GLU A 463 68.784 2.597 10.176 1.00 0.00 C ATOM 853 O GLU A 463 67.862 1.971 10.662 1.00 0.00 O ATOM 854 CB GLU A 463 70.785 1.230 9.483 1.00 0.00 C ATOM 855 CG GLU A 463 71.710 2.122 10.318 1.00 0.00 C ATOM 856 CD GLU A 463 71.469 1.860 11.808 1.00 0.00 C ATOM 857 OE1 GLU A 463 70.345 1.544 12.161 1.00 0.00 O ATOM 858 OE2 GLU A 463 72.414 1.980 12.570 1.00 0.00 O ATOM 0 H GLU A 463 71.180 3.169 8.129 1.00 0.00 H new ATOM 0 HA GLU A 463 68.895 1.432 8.406 1.00 0.00 H new ATOM 0 HB2 GLU A 463 70.444 0.384 10.080 1.00 0.00 H new ATOM 0 HB3 GLU A 463 71.330 0.821 8.633 1.00 0.00 H new ATOM 0 HG2 GLU A 463 72.751 1.920 10.067 1.00 0.00 H new ATOM 0 HG3 GLU A 463 71.525 3.171 10.088 1.00 0.00 H new ATOM 865 N ARG A 464 69.132 3.767 10.642 1.00 0.00 N ATOM 866 CA ARG A 464 68.393 4.364 11.794 1.00 0.00 C ATOM 867 C ARG A 464 67.031 4.882 11.332 1.00 0.00 C ATOM 868 O ARG A 464 66.000 4.380 11.736 1.00 0.00 O ATOM 869 CB ARG A 464 69.272 5.520 12.274 1.00 0.00 C ATOM 870 CG ARG A 464 70.215 5.023 13.372 1.00 0.00 C ATOM 871 CD ARG A 464 69.426 4.811 14.666 1.00 0.00 C ATOM 872 NE ARG A 464 69.112 6.182 15.154 1.00 0.00 N ATOM 873 CZ ARG A 464 68.036 6.393 15.861 1.00 0.00 C ATOM 874 NH1 ARG A 464 67.997 6.028 17.114 1.00 0.00 N ATOM 875 NH2 ARG A 464 66.999 6.967 15.316 1.00 0.00 N ATOM 0 H ARG A 464 69.896 4.335 10.275 1.00 0.00 H new ATOM 0 HA ARG A 464 68.207 3.639 12.587 1.00 0.00 H new ATOM 0 HB2 ARG A 464 69.848 5.923 11.441 1.00 0.00 H new ATOM 0 HB3 ARG A 464 68.650 6.330 12.654 1.00 0.00 H new ATOM 0 HG2 ARG A 464 70.688 4.090 13.065 1.00 0.00 H new ATOM 0 HG3 ARG A 464 71.014 5.747 13.535 1.00 0.00 H new ATOM 0 HD2 ARG A 464 68.516 4.239 14.484 1.00 0.00 H new ATOM 0 HD3 ARG A 464 70.011 4.255 15.399 1.00 0.00 H new ATOM 0 HE ARG A 464 69.738 6.957 14.935 1.00 0.00 H new ATOM 0 HH11 ARG A 464 68.807 5.578 17.540 1.00 0.00 H new ATOM 0 HH12 ARG A 464 67.156 6.193 17.667 1.00 0.00 H new ATOM 0 HH21 ARG A 464 67.029 7.251 14.337 1.00 0.00 H new ATOM 0 HH22 ARG A 464 66.158 7.132 15.869 1.00 0.00 H new ATOM 889 N THR A 465 67.020 5.881 10.485 1.00 0.00 N ATOM 890 CA THR A 465 65.722 6.436 9.992 1.00 0.00 C ATOM 891 C THR A 465 64.800 5.301 9.540 1.00 0.00 C ATOM 892 O THR A 465 63.599 5.360 9.711 1.00 0.00 O ATOM 893 CB THR A 465 66.092 7.331 8.809 1.00 0.00 C ATOM 894 OG1 THR A 465 67.105 8.244 9.208 1.00 0.00 O ATOM 895 CG2 THR A 465 64.857 8.107 8.347 1.00 0.00 C ATOM 0 H THR A 465 67.854 6.336 10.114 1.00 0.00 H new ATOM 0 HA THR A 465 65.190 6.988 10.767 1.00 0.00 H new ATOM 0 HB THR A 465 66.459 6.715 7.988 1.00 0.00 H new ATOM 0 HG1 THR A 465 67.345 8.818 8.451 1.00 0.00 H new ATOM 0 HG21 THR A 465 65.122 8.745 7.504 1.00 0.00 H new ATOM 0 HG22 THR A 465 64.080 7.406 8.042 1.00 0.00 H new ATOM 0 HG23 THR A 465 64.488 8.724 9.166 1.00 0.00 H new ATOM 903 N LEU A 466 65.356 4.259 8.980 1.00 0.00 N ATOM 904 CA LEU A 466 64.511 3.112 8.536 1.00 0.00 C ATOM 905 C LEU A 466 63.902 2.436 9.764 1.00 0.00 C ATOM 906 O LEU A 466 62.746 2.061 9.769 1.00 0.00 O ATOM 907 CB LEU A 466 65.469 2.163 7.814 1.00 0.00 C ATOM 908 CG LEU A 466 64.672 1.221 6.911 1.00 0.00 C ATOM 909 CD1 LEU A 466 65.587 0.663 5.820 1.00 0.00 C ATOM 910 CD2 LEU A 466 64.112 0.068 7.746 1.00 0.00 C ATOM 0 H LEU A 466 66.356 4.153 8.811 1.00 0.00 H new ATOM 0 HA LEU A 466 63.690 3.416 7.886 1.00 0.00 H new ATOM 0 HB2 LEU A 466 66.184 2.733 7.221 1.00 0.00 H new ATOM 0 HB3 LEU A 466 66.044 1.588 8.540 1.00 0.00 H new ATOM 0 HG LEU A 466 63.850 1.769 6.450 1.00 0.00 H new ATOM 0 HD11 LEU A 466 65.018 -0.008 5.177 1.00 0.00 H new ATOM 0 HD12 LEU A 466 65.986 1.484 5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 466 66.409 0.115 6.280 1.00 0.00 H new ATOM 0 HD21 LEU A 466 63.544 -0.604 7.103 1.00 0.00 H new ATOM 0 HD22 LEU A 466 64.934 -0.480 8.207 1.00 0.00 H new ATOM 0 HD23 LEU A 466 63.459 0.465 8.523 1.00 0.00 H new ATOM 922 N ILE A 467 64.667 2.301 10.817 1.00 0.00 N ATOM 923 CA ILE A 467 64.124 1.674 12.055 1.00 0.00 C ATOM 924 C ILE A 467 63.050 2.593 12.627 1.00 0.00 C ATOM 925 O ILE A 467 61.955 2.176 12.954 1.00 0.00 O ATOM 926 CB ILE A 467 65.331 1.554 13.009 1.00 0.00 C ATOM 927 CG1 ILE A 467 65.348 0.154 13.626 1.00 0.00 C ATOM 928 CG2 ILE A 467 65.253 2.602 14.135 1.00 0.00 C ATOM 929 CD1 ILE A 467 66.751 -0.155 14.151 1.00 0.00 C ATOM 0 H ILE A 467 65.641 2.598 10.871 1.00 0.00 H new ATOM 0 HA ILE A 467 63.668 0.698 11.887 1.00 0.00 H new ATOM 0 HB ILE A 467 66.242 1.728 12.437 1.00 0.00 H new ATOM 0 HG12 ILE A 467 64.623 0.094 14.438 1.00 0.00 H new ATOM 0 HG13 ILE A 467 65.055 -0.587 12.882 1.00 0.00 H new ATOM 0 HG21 ILE A 467 66.116 2.495 14.792 1.00 0.00 H new ATOM 0 HG22 ILE A 467 65.249 3.602 13.702 1.00 0.00 H new ATOM 0 HG23 ILE A 467 64.339 2.452 14.709 1.00 0.00 H new ATOM 0 HD11 ILE A 467 66.763 -1.152 14.591 1.00 0.00 H new ATOM 0 HD12 ILE A 467 67.465 -0.112 13.328 1.00 0.00 H new ATOM 0 HD13 ILE A 467 67.026 0.579 14.909 1.00 0.00 H new ATOM 941 N HIS A 468 63.370 3.851 12.737 1.00 0.00 N ATOM 942 CA HIS A 468 62.399 4.834 13.275 1.00 0.00 C ATOM 943 C HIS A 468 61.147 4.829 12.396 1.00 0.00 C ATOM 944 O HIS A 468 60.031 4.817 12.878 1.00 0.00 O ATOM 945 CB HIS A 468 63.137 6.176 13.191 1.00 0.00 C ATOM 946 CG HIS A 468 62.202 7.294 13.543 1.00 0.00 C ATOM 947 ND1 HIS A 468 62.459 8.195 14.564 1.00 0.00 N ATOM 948 CD2 HIS A 468 61.004 7.664 13.006 1.00 0.00 C ATOM 949 CE1 HIS A 468 61.428 9.061 14.605 1.00 0.00 C ATOM 950 NE2 HIS A 468 60.510 8.780 13.676 1.00 0.00 N ATOM 0 H HIS A 468 64.275 4.242 12.473 1.00 0.00 H new ATOM 0 HA HIS A 468 62.073 4.620 14.293 1.00 0.00 H new ATOM 0 HB2 HIS A 468 63.990 6.176 13.870 1.00 0.00 H new ATOM 0 HB3 HIS A 468 63.531 6.322 12.185 1.00 0.00 H new ATOM 0 HD2 HIS A 468 60.512 7.166 12.184 1.00 0.00 H new ATOM 0 HE1 HIS A 468 61.353 9.882 15.303 1.00 0.00 H new ATOM 0 HE2 HIS A 468 59.637 9.276 13.497 1.00 0.00 H new ATOM 958 N LEU A 469 61.337 4.831 11.107 1.00 0.00 N ATOM 959 CA LEU A 469 60.177 4.819 10.173 1.00 0.00 C ATOM 960 C LEU A 469 59.390 3.512 10.317 1.00 0.00 C ATOM 961 O LEU A 469 58.268 3.404 9.862 1.00 0.00 O ATOM 962 CB LEU A 469 60.803 4.928 8.782 1.00 0.00 C ATOM 963 CG LEU A 469 60.856 6.399 8.370 1.00 0.00 C ATOM 964 CD1 LEU A 469 61.842 6.569 7.214 1.00 0.00 C ATOM 965 CD2 LEU A 469 59.465 6.855 7.926 1.00 0.00 C ATOM 0 H LEU A 469 62.252 4.840 10.657 1.00 0.00 H new ATOM 0 HA LEU A 469 59.472 5.627 10.370 1.00 0.00 H new ATOM 0 HB2 LEU A 469 61.807 4.503 8.787 1.00 0.00 H new ATOM 0 HB3 LEU A 469 60.218 4.357 8.061 1.00 0.00 H new ATOM 0 HG LEU A 469 61.182 7.002 9.217 1.00 0.00 H new ATOM 0 HD11 LEU A 469 61.880 7.618 6.920 1.00 0.00 H new ATOM 0 HD12 LEU A 469 62.833 6.245 7.531 1.00 0.00 H new ATOM 0 HD13 LEU A 469 61.516 5.966 6.366 1.00 0.00 H new ATOM 0 HD21 LEU A 469 59.503 7.904 7.632 1.00 0.00 H new ATOM 0 HD22 LEU A 469 59.138 6.252 7.079 1.00 0.00 H new ATOM 0 HD23 LEU A 469 58.762 6.734 8.750 1.00 0.00 H new ATOM 977 N SER A 470 59.965 2.521 10.948 1.00 0.00 N ATOM 978 CA SER A 470 59.244 1.228 11.121 1.00 0.00 C ATOM 979 C SER A 470 58.471 1.218 12.447 1.00 0.00 C ATOM 980 O SER A 470 57.879 0.223 12.818 1.00 0.00 O ATOM 981 CB SER A 470 60.340 0.165 11.134 1.00 0.00 C ATOM 982 OG SER A 470 59.874 -0.999 10.464 1.00 0.00 O ATOM 0 H SER A 470 60.902 2.553 11.350 1.00 0.00 H new ATOM 0 HA SER A 470 58.514 1.056 10.330 1.00 0.00 H new ATOM 0 HB2 SER A 470 61.237 0.545 10.645 1.00 0.00 H new ATOM 0 HB3 SER A 470 60.615 -0.078 12.160 1.00 0.00 H new ATOM 0 HG SER A 470 60.576 -1.683 10.469 1.00 0.00 H new ATOM 988 N GLU A 471 58.469 2.314 13.162 1.00 0.00 N ATOM 989 CA GLU A 471 57.733 2.357 14.460 1.00 0.00 C ATOM 990 C GLU A 471 56.304 2.864 14.244 1.00 0.00 C ATOM 991 O GLU A 471 55.404 2.543 14.994 1.00 0.00 O ATOM 992 CB GLU A 471 58.522 3.332 15.332 1.00 0.00 C ATOM 993 CG GLU A 471 58.492 2.857 16.786 1.00 0.00 C ATOM 994 CD GLU A 471 59.058 3.951 17.693 1.00 0.00 C ATOM 995 OE1 GLU A 471 60.266 4.114 17.709 1.00 0.00 O ATOM 996 OE2 GLU A 471 58.272 4.606 18.357 1.00 0.00 O ATOM 0 H GLU A 471 58.944 3.179 12.903 1.00 0.00 H new ATOM 0 HA GLU A 471 57.653 1.372 14.920 1.00 0.00 H new ATOM 0 HB2 GLU A 471 59.552 3.398 14.981 1.00 0.00 H new ATOM 0 HB3 GLU A 471 58.095 4.332 15.256 1.00 0.00 H new ATOM 0 HG2 GLU A 471 57.470 2.619 17.081 1.00 0.00 H new ATOM 0 HG3 GLU A 471 59.076 1.943 16.893 1.00 0.00 H new ATOM 1003 N GLY A 472 56.091 3.654 13.225 1.00 0.00 N ATOM 1004 CA GLY A 472 54.721 4.181 12.962 1.00 0.00 C ATOM 1005 C GLY A 472 54.754 5.116 11.752 1.00 0.00 C ATOM 1006 O GLY A 472 55.795 5.364 11.176 1.00 0.00 O ATOM 0 H GLY A 472 56.807 3.957 12.564 1.00 0.00 H new ATOM 0 HA2 GLY A 472 54.032 3.356 12.778 1.00 0.00 H new ATOM 0 HA3 GLY A 472 54.352 4.716 13.837 1.00 0.00 H new ATOM 1010 N SER A 473 53.620 5.636 11.363 1.00 0.00 N ATOM 1011 CA SER A 473 53.583 6.557 10.189 1.00 0.00 C ATOM 1012 C SER A 473 54.208 7.906 10.556 1.00 0.00 C ATOM 1013 O SER A 473 54.242 8.290 11.708 1.00 0.00 O ATOM 1014 CB SER A 473 52.100 6.725 9.860 1.00 0.00 C ATOM 1015 OG SER A 473 51.392 7.057 11.047 1.00 0.00 O ATOM 0 H SER A 473 52.718 5.463 11.807 1.00 0.00 H new ATOM 0 HA SER A 473 54.145 6.166 9.341 1.00 0.00 H new ATOM 0 HB2 SER A 473 51.968 7.507 9.113 1.00 0.00 H new ATOM 0 HB3 SER A 473 51.704 5.804 9.432 1.00 0.00 H new ATOM 0 HG SER A 473 50.941 6.259 11.393 1.00 0.00 H new ATOM 1021 N ASN A 474 54.703 8.626 9.584 1.00 0.00 N ATOM 1022 CA ASN A 474 55.326 9.949 9.875 1.00 0.00 C ATOM 1023 C ASN A 474 55.381 10.798 8.603 1.00 0.00 C ATOM 1024 O ASN A 474 54.867 10.418 7.570 1.00 0.00 O ATOM 1025 CB ASN A 474 56.738 9.621 10.363 1.00 0.00 C ATOM 1026 CG ASN A 474 56.725 9.442 11.883 1.00 0.00 C ATOM 1027 OD1 ASN A 474 56.665 8.332 12.374 1.00 0.00 O ATOM 1028 ND2 ASN A 474 56.778 10.494 12.652 1.00 0.00 N ATOM 0 H ASN A 474 54.702 8.354 8.601 1.00 0.00 H new ATOM 0 HA ASN A 474 54.762 10.519 10.613 1.00 0.00 H new ATOM 0 HB2 ASN A 474 57.098 8.711 9.882 1.00 0.00 H new ATOM 0 HB3 ASN A 474 57.425 10.421 10.086 1.00 0.00 H new ATOM 0 HD21 ASN A 474 56.769 10.385 13.666 1.00 0.00 H new ATOM 0 HD22 ASN A 474 56.828 11.425 12.239 1.00 0.00 H new ATOM 1035 N LYS A 475 56.003 11.946 8.671 1.00 0.00 N ATOM 1036 CA LYS A 475 56.092 12.821 7.464 1.00 0.00 C ATOM 1037 C LYS A 475 57.106 12.247 6.468 1.00 0.00 C ATOM 1038 O LYS A 475 58.106 12.865 6.160 1.00 0.00 O ATOM 1039 CB LYS A 475 56.559 14.184 7.987 1.00 0.00 C ATOM 1040 CG LYS A 475 57.888 14.031 8.735 1.00 0.00 C ATOM 1041 CD LYS A 475 58.705 15.318 8.595 1.00 0.00 C ATOM 1042 CE LYS A 475 60.178 14.967 8.365 1.00 0.00 C ATOM 1043 NZ LYS A 475 60.758 16.165 7.696 1.00 0.00 N ATOM 0 H LYS A 475 56.453 12.315 9.509 1.00 0.00 H new ATOM 0 HA LYS A 475 55.140 12.896 6.939 1.00 0.00 H new ATOM 0 HB2 LYS A 475 56.678 14.880 7.157 1.00 0.00 H new ATOM 0 HB3 LYS A 475 55.805 14.606 8.651 1.00 0.00 H new ATOM 0 HG2 LYS A 475 57.702 13.818 9.788 1.00 0.00 H new ATOM 0 HG3 LYS A 475 58.448 13.187 8.333 1.00 0.00 H new ATOM 0 HD2 LYS A 475 58.328 15.912 7.763 1.00 0.00 H new ATOM 0 HD3 LYS A 475 58.601 15.926 9.493 1.00 0.00 H new ATOM 0 HE2 LYS A 475 60.685 14.756 9.306 1.00 0.00 H new ATOM 0 HE3 LYS A 475 60.280 14.079 7.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 61.767 16.001 7.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 60.260 16.337 6.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 60.653 16.994 8.316 1.00 0.00 H new ATOM 1057 N TYR A 476 56.854 11.068 5.963 1.00 0.00 N ATOM 1058 CA TYR A 476 57.803 10.454 4.991 1.00 0.00 C ATOM 1059 C TYR A 476 57.087 10.121 3.680 1.00 0.00 C ATOM 1060 O TYR A 476 55.924 9.772 3.666 1.00 0.00 O ATOM 1061 CB TYR A 476 58.296 9.177 5.669 1.00 0.00 C ATOM 1062 CG TYR A 476 59.426 8.594 4.858 1.00 0.00 C ATOM 1063 CD1 TYR A 476 59.156 7.978 3.631 1.00 0.00 C ATOM 1064 CD2 TYR A 476 60.744 8.678 5.325 1.00 0.00 C ATOM 1065 CE1 TYR A 476 60.200 7.446 2.871 1.00 0.00 C ATOM 1066 CE2 TYR A 476 61.790 8.144 4.563 1.00 0.00 C ATOM 1067 CZ TYR A 476 61.517 7.528 3.336 1.00 0.00 C ATOM 1068 OH TYR A 476 62.546 7.002 2.582 1.00 0.00 O ATOM 0 H TYR A 476 56.032 10.505 6.182 1.00 0.00 H new ATOM 0 HA TYR A 476 58.623 11.127 4.740 1.00 0.00 H new ATOM 0 HB2 TYR A 476 58.634 9.395 6.682 1.00 0.00 H new ATOM 0 HB3 TYR A 476 57.482 8.457 5.752 1.00 0.00 H new ATOM 0 HD1 TYR A 476 58.140 7.914 3.271 1.00 0.00 H new ATOM 0 HD2 TYR A 476 60.953 9.154 6.272 1.00 0.00 H new ATOM 0 HE1 TYR A 476 59.991 6.971 1.924 1.00 0.00 H new ATOM 0 HE2 TYR A 476 62.807 8.207 4.922 1.00 0.00 H new ATOM 0 HH TYR A 476 62.314 7.053 1.631 1.00 0.00 H new ATOM 1078 N TYR A 477 57.784 10.221 2.579 1.00 0.00 N ATOM 1079 CA TYR A 477 57.160 9.908 1.262 1.00 0.00 C ATOM 1080 C TYR A 477 58.191 9.250 0.342 1.00 0.00 C ATOM 1081 O TYR A 477 59.373 9.523 0.425 1.00 0.00 O ATOM 1082 CB TYR A 477 56.719 11.259 0.700 1.00 0.00 C ATOM 1083 CG TYR A 477 55.354 11.609 1.242 1.00 0.00 C ATOM 1084 CD1 TYR A 477 54.212 10.996 0.713 1.00 0.00 C ATOM 1085 CD2 TYR A 477 55.231 12.546 2.274 1.00 0.00 C ATOM 1086 CE1 TYR A 477 52.947 11.320 1.216 1.00 0.00 C ATOM 1087 CE2 TYR A 477 53.966 12.872 2.777 1.00 0.00 C ATOM 1088 CZ TYR A 477 52.823 12.258 2.249 1.00 0.00 C ATOM 1089 OH TYR A 477 51.576 12.578 2.745 1.00 0.00 O ATOM 0 H TYR A 477 58.762 10.507 2.536 1.00 0.00 H new ATOM 0 HA TYR A 477 56.323 9.216 1.351 1.00 0.00 H new ATOM 0 HB2 TYR A 477 57.439 12.031 0.973 1.00 0.00 H new ATOM 0 HB3 TYR A 477 56.691 11.220 -0.389 1.00 0.00 H new ATOM 0 HD1 TYR A 477 54.307 10.273 -0.083 1.00 0.00 H new ATOM 0 HD2 TYR A 477 56.112 13.018 2.683 1.00 0.00 H new ATOM 0 HE1 TYR A 477 52.066 10.847 0.808 1.00 0.00 H new ATOM 0 HE2 TYR A 477 53.871 13.597 3.572 1.00 0.00 H new ATOM 0 HH TYR A 477 51.669 13.244 3.458 1.00 0.00 H new ATOM 1099 N CYS A 478 57.754 8.386 -0.535 1.00 0.00 N ATOM 1100 CA CYS A 478 58.710 7.711 -1.461 1.00 0.00 C ATOM 1101 C CYS A 478 59.430 8.758 -2.323 1.00 0.00 C ATOM 1102 O CYS A 478 59.416 9.936 -2.023 1.00 0.00 O ATOM 1103 CB CYS A 478 57.843 6.763 -2.309 1.00 0.00 C ATOM 1104 SG CYS A 478 57.139 7.642 -3.728 1.00 0.00 S ATOM 0 H CYS A 478 56.777 8.118 -0.650 1.00 0.00 H new ATOM 0 HA CYS A 478 59.492 7.160 -0.938 1.00 0.00 H new ATOM 0 HB2 CYS A 478 58.445 5.924 -2.657 1.00 0.00 H new ATOM 0 HB3 CYS A 478 57.042 6.349 -1.697 1.00 0.00 H new ATOM 0 HG CYS A 478 55.856 7.436 -3.773 1.00 0.00 H new ATOM 1109 N ASN A 479 60.063 8.339 -3.386 1.00 0.00 N ATOM 1110 CA ASN A 479 60.786 9.313 -4.258 1.00 0.00 C ATOM 1111 C ASN A 479 59.828 9.952 -5.271 1.00 0.00 C ATOM 1112 O ASN A 479 59.902 11.133 -5.546 1.00 0.00 O ATOM 1113 CB ASN A 479 61.847 8.482 -4.980 1.00 0.00 C ATOM 1114 CG ASN A 479 63.046 9.369 -5.323 1.00 0.00 C ATOM 1115 OD1 ASN A 479 64.147 9.122 -4.875 1.00 0.00 O ATOM 1116 ND2 ASN A 479 62.876 10.400 -6.104 1.00 0.00 N ATOM 0 H ASN A 479 60.111 7.366 -3.689 1.00 0.00 H new ATOM 0 HA ASN A 479 61.221 10.130 -3.682 1.00 0.00 H new ATOM 0 HB2 ASN A 479 62.164 7.651 -4.349 1.00 0.00 H new ATOM 0 HB3 ASN A 479 61.429 8.050 -5.889 1.00 0.00 H new ATOM 0 HD21 ASN A 479 63.668 10.998 -6.338 1.00 0.00 H new ATOM 0 HD22 ASN A 479 61.951 10.608 -6.480 1.00 0.00 H new ATOM 1123 N GLU A 480 58.938 9.178 -5.834 1.00 0.00 N ATOM 1124 CA GLU A 480 57.983 9.740 -6.839 1.00 0.00 C ATOM 1125 C GLU A 480 56.814 10.461 -6.156 1.00 0.00 C ATOM 1126 O GLU A 480 55.909 10.941 -6.811 1.00 0.00 O ATOM 1127 CB GLU A 480 57.474 8.527 -7.616 1.00 0.00 C ATOM 1128 CG GLU A 480 56.998 8.971 -9.001 1.00 0.00 C ATOM 1129 CD GLU A 480 58.182 8.980 -9.971 1.00 0.00 C ATOM 1130 OE1 GLU A 480 59.090 8.188 -9.777 1.00 0.00 O ATOM 1131 OE2 GLU A 480 58.160 9.779 -10.892 1.00 0.00 O ATOM 0 H GLU A 480 58.830 8.182 -5.643 1.00 0.00 H new ATOM 0 HA GLU A 480 58.465 10.478 -7.481 1.00 0.00 H new ATOM 0 HB2 GLU A 480 58.267 7.785 -7.713 1.00 0.00 H new ATOM 0 HB3 GLU A 480 56.657 8.051 -7.074 1.00 0.00 H new ATOM 0 HG2 GLU A 480 56.222 8.296 -9.364 1.00 0.00 H new ATOM 0 HG3 GLU A 480 56.554 9.965 -8.943 1.00 0.00 H new ATOM 1138 N HIS A 481 56.818 10.545 -4.852 1.00 0.00 N ATOM 1139 CA HIS A 481 55.700 11.237 -4.148 1.00 0.00 C ATOM 1140 C HIS A 481 56.255 12.173 -3.069 1.00 0.00 C ATOM 1141 O HIS A 481 55.613 12.434 -2.071 1.00 0.00 O ATOM 1142 CB HIS A 481 54.871 10.115 -3.519 1.00 0.00 C ATOM 1143 CG HIS A 481 54.306 9.240 -4.605 1.00 0.00 C ATOM 1144 ND1 HIS A 481 54.329 7.841 -4.527 1.00 0.00 N ATOM 1145 CD2 HIS A 481 53.706 9.539 -5.809 1.00 0.00 C ATOM 1146 CE1 HIS A 481 53.762 7.360 -5.652 1.00 0.00 C ATOM 1147 NE2 HIS A 481 53.379 8.355 -6.437 1.00 0.00 N ATOM 0 H HIS A 481 57.545 10.165 -4.246 1.00 0.00 H new ATOM 0 HA HIS A 481 55.103 11.851 -4.822 1.00 0.00 H new ATOM 0 HB2 HIS A 481 55.492 9.523 -2.846 1.00 0.00 H new ATOM 0 HB3 HIS A 481 54.064 10.537 -2.920 1.00 0.00 H new ATOM 0 HD2 HIS A 481 53.523 10.531 -6.195 1.00 0.00 H new ATOM 0 HE1 HIS A 481 53.638 6.312 -5.880 1.00 0.00 H new ATOM 0 HE2 HIS A 481 52.923 8.263 -7.345 1.00 0.00 H new ATOM 1155 N VAL A 482 57.443 12.678 -3.268 1.00 0.00 N ATOM 1156 CA VAL A 482 58.045 13.599 -2.260 1.00 0.00 C ATOM 1157 C VAL A 482 57.784 15.053 -2.655 1.00 0.00 C ATOM 1158 O VAL A 482 57.676 15.930 -1.821 1.00 0.00 O ATOM 1159 CB VAL A 482 59.545 13.287 -2.280 1.00 0.00 C ATOM 1160 CG1 VAL A 482 60.155 13.715 -3.620 1.00 0.00 C ATOM 1161 CG2 VAL A 482 60.237 14.042 -1.143 1.00 0.00 C ATOM 0 H VAL A 482 58.023 12.492 -4.086 1.00 0.00 H new ATOM 0 HA VAL A 482 57.620 13.462 -1.266 1.00 0.00 H new ATOM 0 HB VAL A 482 59.687 12.214 -2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 482 61.221 13.489 -3.623 1.00 0.00 H new ATOM 0 HG12 VAL A 482 59.667 13.175 -4.431 1.00 0.00 H new ATOM 0 HG13 VAL A 482 60.011 14.786 -3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 482 61.304 13.821 -1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 482 60.087 15.114 -1.274 1.00 0.00 H new ATOM 0 HG23 VAL A 482 59.814 13.730 -0.188 1.00 0.00 H new ATOM 1171 N GLN A 483 57.685 15.302 -3.926 1.00 0.00 N ATOM 1172 CA GLN A 483 57.432 16.692 -4.407 1.00 0.00 C ATOM 1173 C GLN A 483 55.979 17.089 -4.142 1.00 0.00 C ATOM 1174 O GLN A 483 55.678 18.234 -3.864 1.00 0.00 O ATOM 1175 CB GLN A 483 57.711 16.647 -5.912 1.00 0.00 C ATOM 1176 CG GLN A 483 58.550 17.861 -6.317 1.00 0.00 C ATOM 1177 CD GLN A 483 60.023 17.459 -6.404 1.00 0.00 C ATOM 1178 OE1 GLN A 483 60.630 17.109 -5.412 1.00 0.00 O ATOM 1179 NE2 GLN A 483 60.629 17.496 -7.559 1.00 0.00 N ATOM 0 H GLN A 483 57.768 14.600 -4.661 1.00 0.00 H new ATOM 0 HA GLN A 483 58.058 17.425 -3.898 1.00 0.00 H new ATOM 0 HB2 GLN A 483 58.238 15.727 -6.167 1.00 0.00 H new ATOM 0 HB3 GLN A 483 56.772 16.640 -6.466 1.00 0.00 H new ATOM 0 HG2 GLN A 483 58.210 18.247 -7.278 1.00 0.00 H new ATOM 0 HG3 GLN A 483 58.423 18.663 -5.589 1.00 0.00 H new ATOM 0 HE21 GLN A 483 60.120 17.790 -8.393 1.00 0.00 H new ATOM 0 HE22 GLN A 483 61.612 17.231 -7.628 1.00 0.00 H new