USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=22 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 124:sc= -0.239 USER MOD Set 1.2: A 448 HIS : no HD1:sc= -0.211 K(o=-8,f=-7.3) USER MOD Set 1.3: A 452 HIS : no HD1:sc= -6.67! C(o=-8!,f=-6.5!) USER MOD Set 1.4: A 478 CYS SG : rot -124:sc= -0.894 USER MOD Set 1.5: A 481 HIS : no HD1:sc= -0.0344 K(o=-8,f=-16!) USER MOD Set 2.1: A 419 CYS SG : rot -123:sc= -0.569 USER MOD Set 2.2: A 420 CYS SG : rot 180:sc= -4.08 USER MOD Set 2.3: A 423 CYS SG : rot 85:sc= -0.889 USER MOD Set 2.4: A 443 MET CE :methyl -142:sc= -5.15! (180deg=-6.86!) USER MOD Set 2.5: A 455 HIS : no HD1:sc= -13.4! C(o=-29!,f=-38!) USER MOD Set 2.6: A 458 CYS SG : rot 160:sc= -1.84 USER MOD Set 2.7: A 459 MET CE :methyl -129:sc= -3.2 (180deg=0) USER MOD Single : A 415 TYR OH : rot 180:sc= 0 USER MOD Single : A 418 THR OG1 : rot 180:sc= 0.0537 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 ASN : amide:sc=-0.00401 X(o=-0.004,f=-0.35) USER MOD Single : A 429 THR OG1 : rot 180:sc= 0.00653 USER MOD Single : A 434 TYR OH : rot 180:sc= -1.25 USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0.023 USER MOD Single : A 439 ASN : amide:sc= -1.27 K(o=-1.3,f=-2.1!) USER MOD Single : A 440 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 445 TYR OH : rot 110:sc= 1.18 USER MOD Single : A 447 SER OG : rot 180:sc= 0 USER MOD Single : A 457 GLN : amide:sc= -1.16 K(o=-1.2,f=-7.3!) USER MOD Single : A 465 THR OG1 : rot 180:sc= 0.0548 USER MOD Single : A 468 HIS : no HD1:sc= -2.42! K(o=-2.4!,f=-0.99) 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 : amide:sc= 0.361 K(o=0.36,f=-7.7!) USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 476 TYR OH : rot 81:sc= -4.04! USER MOD Single : A 477 TYR OH : rot 180:sc= 0 USER MOD Single : A 479 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 483 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 117 N TYR A 415 60.531 -8.354 -3.277 1.00 0.00 N ATOM 118 CA TYR A 415 61.512 -7.305 -2.875 1.00 0.00 C ATOM 119 C TYR A 415 62.420 -6.950 -4.055 1.00 0.00 C ATOM 120 O TYR A 415 62.772 -5.803 -4.256 1.00 0.00 O ATOM 121 CB TYR A 415 62.328 -7.932 -1.740 1.00 0.00 C ATOM 122 CG TYR A 415 61.838 -7.407 -0.412 1.00 0.00 C ATOM 123 CD1 TYR A 415 61.614 -6.036 -0.242 1.00 0.00 C ATOM 124 CD2 TYR A 415 61.606 -8.291 0.650 1.00 0.00 C ATOM 125 CE1 TYR A 415 61.157 -5.548 0.987 1.00 0.00 C ATOM 126 CE2 TYR A 415 61.151 -7.803 1.880 1.00 0.00 C ATOM 127 CZ TYR A 415 60.925 -6.431 2.049 1.00 0.00 C ATOM 128 OH TYR A 415 60.474 -5.950 3.262 1.00 0.00 O ATOM 0 HA TYR A 415 61.022 -6.383 -2.561 1.00 0.00 H new ATOM 0 HB2 TYR A 415 62.236 -9.018 -1.769 1.00 0.00 H new ATOM 0 HB3 TYR A 415 63.385 -7.698 -1.867 1.00 0.00 H new ATOM 0 HD1 TYR A 415 61.794 -5.354 -1.060 1.00 0.00 H new ATOM 0 HD2 TYR A 415 61.778 -9.349 0.519 1.00 0.00 H new ATOM 0 HE1 TYR A 415 60.983 -4.490 1.117 1.00 0.00 H new ATOM 0 HE2 TYR A 415 60.974 -8.484 2.699 1.00 0.00 H new ATOM 0 HH TYR A 415 60.364 -6.695 3.889 1.00 0.00 H new ATOM 138 N TRP A 416 62.796 -7.924 -4.837 1.00 0.00 N ATOM 139 CA TRP A 416 63.677 -7.650 -6.010 1.00 0.00 C ATOM 140 C TRP A 416 62.856 -7.012 -7.135 1.00 0.00 C ATOM 141 O TRP A 416 62.782 -7.526 -8.233 1.00 0.00 O ATOM 142 CB TRP A 416 64.200 -9.026 -6.433 1.00 0.00 C ATOM 143 CG TRP A 416 64.901 -9.659 -5.276 1.00 0.00 C ATOM 144 CD1 TRP A 416 64.560 -10.835 -4.700 1.00 0.00 C ATOM 145 CD2 TRP A 416 66.050 -9.161 -4.538 1.00 0.00 C ATOM 146 NE1 TRP A 416 65.430 -11.089 -3.654 1.00 0.00 N ATOM 147 CE2 TRP A 416 66.368 -10.084 -3.516 1.00 0.00 C ATOM 148 CE3 TRP A 416 66.840 -8.007 -4.661 1.00 0.00 C ATOM 149 CZ2 TRP A 416 67.435 -9.867 -2.641 1.00 0.00 C ATOM 150 CZ3 TRP A 416 67.911 -7.786 -3.787 1.00 0.00 C ATOM 151 CH2 TRP A 416 68.210 -8.711 -2.778 1.00 0.00 C ATOM 0 H TRP A 416 62.531 -8.901 -4.715 1.00 0.00 H new ATOM 0 HA TRP A 416 64.489 -6.961 -5.778 1.00 0.00 H new ATOM 0 HB2 TRP A 416 63.375 -9.657 -6.763 1.00 0.00 H new ATOM 0 HB3 TRP A 416 64.882 -8.926 -7.277 1.00 0.00 H new ATOM 0 HD1 TRP A 416 63.743 -11.471 -5.006 1.00 0.00 H new ATOM 0 HE1 TRP A 416 65.384 -11.916 -3.059 1.00 0.00 H new ATOM 0 HE3 TRP A 416 66.620 -7.286 -5.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 67.659 -10.585 -1.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 68.512 -6.895 -3.891 1.00 0.00 H new ATOM 0 HH2 TRP A 416 69.037 -8.532 -2.107 1.00 0.00 H new ATOM 162 N ILE A 417 62.225 -5.900 -6.861 1.00 0.00 N ATOM 163 CA ILE A 417 61.392 -5.230 -7.903 1.00 0.00 C ATOM 164 C ILE A 417 61.930 -3.828 -8.204 1.00 0.00 C ATOM 165 O ILE A 417 63.072 -3.518 -7.928 1.00 0.00 O ATOM 166 CB ILE A 417 59.987 -5.151 -7.296 1.00 0.00 C ATOM 167 CG1 ILE A 417 60.017 -4.275 -6.035 1.00 0.00 C ATOM 168 CG2 ILE A 417 59.513 -6.558 -6.925 1.00 0.00 C ATOM 169 CD1 ILE A 417 59.164 -3.024 -6.261 1.00 0.00 C ATOM 0 H ILE A 417 62.251 -5.426 -5.958 1.00 0.00 H new ATOM 0 HA ILE A 417 61.400 -5.775 -8.847 1.00 0.00 H new ATOM 0 HB ILE A 417 59.304 -4.714 -8.024 1.00 0.00 H new ATOM 0 HG12 ILE A 417 59.639 -4.836 -5.181 1.00 0.00 H new ATOM 0 HG13 ILE A 417 61.043 -3.991 -5.801 1.00 0.00 H new ATOM 0 HG21 ILE A 417 58.514 -6.503 -6.493 1.00 0.00 H new ATOM 0 HG22 ILE A 417 59.488 -7.181 -7.819 1.00 0.00 H new ATOM 0 HG23 ILE A 417 60.199 -6.993 -6.198 1.00 0.00 H new ATOM 0 HD11 ILE A 417 59.185 -2.402 -5.366 1.00 0.00 H new ATOM 0 HD12 ILE A 417 59.562 -2.460 -7.104 1.00 0.00 H new ATOM 0 HD13 ILE A 417 58.136 -3.318 -6.474 1.00 0.00 H new ATOM 181 N THR A 418 61.113 -2.984 -8.773 1.00 0.00 N ATOM 182 CA THR A 418 61.568 -1.603 -9.101 1.00 0.00 C ATOM 183 C THR A 418 60.882 -0.578 -8.192 1.00 0.00 C ATOM 184 O THR A 418 59.803 -0.098 -8.482 1.00 0.00 O ATOM 185 CB THR A 418 61.159 -1.385 -10.560 1.00 0.00 C ATOM 186 OG1 THR A 418 60.007 -2.166 -10.856 1.00 0.00 O ATOM 187 CG2 THR A 418 62.307 -1.796 -11.481 1.00 0.00 C ATOM 0 H THR A 418 60.147 -3.192 -9.026 1.00 0.00 H new ATOM 0 HA THR A 418 62.641 -1.482 -8.954 1.00 0.00 H new ATOM 0 HB THR A 418 60.930 -0.331 -10.716 1.00 0.00 H new ATOM 0 HG1 THR A 418 59.746 -2.023 -11.790 1.00 0.00 H new ATOM 0 HG21 THR A 418 62.014 -1.640 -12.519 1.00 0.00 H new ATOM 0 HG22 THR A 418 63.187 -1.192 -11.258 1.00 0.00 H new ATOM 0 HG23 THR A 418 62.540 -2.849 -11.324 1.00 0.00 H new ATOM 195 N CYS A 419 61.509 -0.235 -7.099 1.00 0.00 N ATOM 196 CA CYS A 419 60.912 0.768 -6.165 1.00 0.00 C ATOM 197 C CYS A 419 60.760 2.124 -6.873 1.00 0.00 C ATOM 198 O CYS A 419 60.015 2.981 -6.441 1.00 0.00 O ATOM 199 CB CYS A 419 61.907 0.831 -4.996 1.00 0.00 C ATOM 200 SG CYS A 419 63.143 2.132 -5.252 1.00 0.00 S ATOM 0 H CYS A 419 62.414 -0.607 -6.810 1.00 0.00 H new ATOM 0 HA CYS A 419 59.912 0.502 -5.823 1.00 0.00 H new ATOM 0 HB2 CYS A 419 61.368 1.016 -4.067 1.00 0.00 H new ATOM 0 HB3 CYS A 419 62.406 -0.132 -4.888 1.00 0.00 H new ATOM 0 HG CYS A 419 64.334 1.613 -5.211 1.00 0.00 H new ATOM 205 N CYS A 420 61.461 2.314 -7.962 1.00 0.00 N ATOM 206 CA CYS A 420 61.366 3.602 -8.710 1.00 0.00 C ATOM 207 C CYS A 420 61.308 3.312 -10.218 1.00 0.00 C ATOM 208 O CYS A 420 61.213 2.166 -10.614 1.00 0.00 O ATOM 209 CB CYS A 420 62.644 4.361 -8.339 1.00 0.00 C ATOM 210 SG CYS A 420 62.214 5.943 -7.570 1.00 0.00 S ATOM 0 H CYS A 420 62.098 1.628 -8.366 1.00 0.00 H new ATOM 0 HA CYS A 420 60.474 4.179 -8.463 1.00 0.00 H new ATOM 0 HB2 CYS A 420 63.247 3.765 -7.654 1.00 0.00 H new ATOM 0 HB3 CYS A 420 63.249 4.531 -9.230 1.00 0.00 H new ATOM 0 HG CYS A 420 63.301 6.582 -7.255 1.00 0.00 H new ATOM 216 N PRO A 421 61.367 4.350 -11.020 1.00 0.00 N ATOM 217 CA PRO A 421 61.316 4.164 -12.487 1.00 0.00 C ATOM 218 C PRO A 421 62.683 3.712 -13.008 1.00 0.00 C ATOM 219 O PRO A 421 62.783 3.038 -14.015 1.00 0.00 O ATOM 220 CB PRO A 421 60.950 5.546 -13.014 1.00 0.00 C ATOM 221 CG PRO A 421 61.406 6.511 -11.961 1.00 0.00 C ATOM 222 CD PRO A 421 61.486 5.766 -10.650 1.00 0.00 C ATOM 0 HA PRO A 421 60.605 3.401 -12.803 1.00 0.00 H new ATOM 0 HB2 PRO A 421 61.440 5.745 -13.967 1.00 0.00 H new ATOM 0 HB3 PRO A 421 59.877 5.629 -13.184 1.00 0.00 H new ATOM 0 HG2 PRO A 421 62.378 6.929 -12.222 1.00 0.00 H new ATOM 0 HG3 PRO A 421 60.711 7.347 -11.883 1.00 0.00 H new ATOM 0 HD2 PRO A 421 62.428 5.964 -10.138 1.00 0.00 H new ATOM 0 HD3 PRO A 421 60.686 6.067 -9.973 1.00 0.00 H new ATOM 230 N THR A 422 63.733 4.068 -12.320 1.00 0.00 N ATOM 231 CA THR A 422 65.096 3.653 -12.757 1.00 0.00 C ATOM 232 C THR A 422 65.756 2.823 -11.653 1.00 0.00 C ATOM 233 O THR A 422 66.917 2.997 -11.340 1.00 0.00 O ATOM 234 CB THR A 422 65.859 4.961 -12.979 1.00 0.00 C ATOM 235 OG1 THR A 422 65.830 5.731 -11.786 1.00 0.00 O ATOM 236 CG2 THR A 422 65.205 5.750 -14.114 1.00 0.00 C ATOM 0 H THR A 422 63.705 4.631 -11.470 1.00 0.00 H new ATOM 0 HA THR A 422 65.080 3.040 -13.658 1.00 0.00 H new ATOM 0 HB THR A 422 66.893 4.739 -13.244 1.00 0.00 H new ATOM 0 HG1 THR A 422 66.320 6.568 -11.925 1.00 0.00 H new ATOM 0 HG21 THR A 422 65.750 6.681 -14.271 1.00 0.00 H new ATOM 0 HG22 THR A 422 65.228 5.158 -15.029 1.00 0.00 H new ATOM 0 HG23 THR A 422 64.171 5.974 -13.853 1.00 0.00 H new ATOM 244 N CYS A 423 65.013 1.930 -11.056 1.00 0.00 N ATOM 245 CA CYS A 423 65.578 1.090 -9.961 1.00 0.00 C ATOM 246 C CYS A 423 66.090 -0.245 -10.513 1.00 0.00 C ATOM 247 O CYS A 423 65.706 -0.679 -11.582 1.00 0.00 O ATOM 248 CB CYS A 423 64.404 0.862 -9.004 1.00 0.00 C ATOM 249 SG CYS A 423 64.924 -0.204 -7.635 1.00 0.00 S ATOM 0 H CYS A 423 64.035 1.746 -11.281 1.00 0.00 H new ATOM 0 HA CYS A 423 66.426 1.567 -9.470 1.00 0.00 H new ATOM 0 HB2 CYS A 423 64.047 1.817 -8.618 1.00 0.00 H new ATOM 0 HB3 CYS A 423 63.572 0.403 -9.538 1.00 0.00 H new ATOM 0 HG CYS A 423 65.487 0.518 -6.712 1.00 0.00 H new ATOM 254 N ASP A 424 66.951 -0.897 -9.780 1.00 0.00 N ATOM 255 CA ASP A 424 67.496 -2.208 -10.236 1.00 0.00 C ATOM 256 C ASP A 424 67.931 -3.034 -9.023 1.00 0.00 C ATOM 257 O ASP A 424 68.931 -3.724 -9.054 1.00 0.00 O ATOM 258 CB ASP A 424 68.702 -1.856 -11.108 1.00 0.00 C ATOM 259 CG ASP A 424 68.232 -1.549 -12.530 1.00 0.00 C ATOM 260 OD1 ASP A 424 68.020 -2.489 -13.279 1.00 0.00 O ATOM 261 OD2 ASP A 424 68.091 -0.380 -12.848 1.00 0.00 O ATOM 0 H ASP A 424 67.303 -0.575 -8.878 1.00 0.00 H new ATOM 0 HA ASP A 424 66.762 -2.799 -10.784 1.00 0.00 H new ATOM 0 HB2 ASP A 424 69.225 -0.995 -10.693 1.00 0.00 H new ATOM 0 HB3 ASP A 424 69.410 -2.684 -11.119 1.00 0.00 H new ATOM 266 N VAL A 425 67.187 -2.960 -7.952 1.00 0.00 N ATOM 267 CA VAL A 425 67.550 -3.731 -6.726 1.00 0.00 C ATOM 268 C VAL A 425 67.565 -5.232 -7.025 1.00 0.00 C ATOM 269 O VAL A 425 66.548 -5.833 -7.311 1.00 0.00 O ATOM 270 CB VAL A 425 66.467 -3.376 -5.698 1.00 0.00 C ATOM 271 CG1 VAL A 425 66.442 -4.411 -4.567 1.00 0.00 C ATOM 272 CG2 VAL A 425 66.771 -1.996 -5.108 1.00 0.00 C ATOM 0 H VAL A 425 66.340 -2.397 -7.873 1.00 0.00 H new ATOM 0 HA VAL A 425 68.546 -3.484 -6.358 1.00 0.00 H new ATOM 0 HB VAL A 425 65.496 -3.370 -6.194 1.00 0.00 H new ATOM 0 HG11 VAL A 425 65.669 -4.144 -3.847 1.00 0.00 H new ATOM 0 HG12 VAL A 425 66.228 -5.397 -4.980 1.00 0.00 H new ATOM 0 HG13 VAL A 425 67.411 -4.429 -4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 425 66.006 -1.736 -4.376 1.00 0.00 H new ATOM 0 HG22 VAL A 425 67.746 -2.015 -4.622 1.00 0.00 H new ATOM 0 HG23 VAL A 425 66.778 -1.253 -5.905 1.00 0.00 H new ATOM 282 N ASP A 426 68.718 -5.834 -6.952 1.00 0.00 N ATOM 283 CA ASP A 426 68.829 -7.296 -7.217 1.00 0.00 C ATOM 284 C ASP A 426 69.930 -7.886 -6.336 1.00 0.00 C ATOM 285 O ASP A 426 71.011 -7.344 -6.242 1.00 0.00 O ATOM 286 CB ASP A 426 69.205 -7.405 -8.696 1.00 0.00 C ATOM 287 CG ASP A 426 67.963 -7.171 -9.558 1.00 0.00 C ATOM 288 OD1 ASP A 426 67.145 -8.072 -9.642 1.00 0.00 O ATOM 289 OD2 ASP A 426 67.851 -6.094 -10.120 1.00 0.00 O ATOM 0 H ASP A 426 69.597 -5.372 -6.718 1.00 0.00 H new ATOM 0 HA ASP A 426 67.909 -7.837 -6.998 1.00 0.00 H new ATOM 0 HB2 ASP A 426 69.974 -6.673 -8.941 1.00 0.00 H new ATOM 0 HB3 ASP A 426 69.624 -8.389 -8.904 1.00 0.00 H new ATOM 294 N ILE A 427 69.662 -8.985 -5.681 1.00 0.00 N ATOM 295 CA ILE A 427 70.697 -9.599 -4.794 1.00 0.00 C ATOM 296 C ILE A 427 72.035 -9.733 -5.533 1.00 0.00 C ATOM 297 O ILE A 427 73.089 -9.726 -4.928 1.00 0.00 O ATOM 298 CB ILE A 427 70.141 -10.972 -4.418 1.00 0.00 C ATOM 299 CG1 ILE A 427 71.073 -11.632 -3.400 1.00 0.00 C ATOM 300 CG2 ILE A 427 70.036 -11.854 -5.666 1.00 0.00 C ATOM 301 CD1 ILE A 427 70.504 -11.452 -1.991 1.00 0.00 C ATOM 0 H ILE A 427 68.773 -9.484 -5.721 1.00 0.00 H new ATOM 0 HA ILE A 427 70.893 -8.988 -3.913 1.00 0.00 H new ATOM 0 HB ILE A 427 69.148 -10.853 -3.984 1.00 0.00 H new ATOM 0 HG12 ILE A 427 71.182 -12.693 -3.626 1.00 0.00 H new ATOM 0 HG13 ILE A 427 72.067 -11.189 -3.461 1.00 0.00 H new ATOM 0 HG21 ILE A 427 69.639 -12.831 -5.389 1.00 0.00 H new ATOM 0 HG22 ILE A 427 69.370 -11.383 -6.389 1.00 0.00 H new ATOM 0 HG23 ILE A 427 71.024 -11.977 -6.109 1.00 0.00 H new ATOM 0 HD11 ILE A 427 71.169 -11.923 -1.267 1.00 0.00 H new ATOM 0 HD12 ILE A 427 70.418 -10.389 -1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 427 69.519 -11.916 -1.934 1.00 0.00 H new ATOM 313 N ASN A 428 72.000 -9.841 -6.835 1.00 0.00 N ATOM 314 CA ASN A 428 73.272 -9.961 -7.607 1.00 0.00 C ATOM 315 C ASN A 428 74.153 -8.738 -7.337 1.00 0.00 C ATOM 316 O ASN A 428 75.365 -8.823 -7.315 1.00 0.00 O ATOM 317 CB ASN A 428 72.848 -10.005 -9.076 1.00 0.00 C ATOM 318 CG ASN A 428 74.037 -10.429 -9.940 1.00 0.00 C ATOM 319 OD1 ASN A 428 74.943 -9.652 -10.169 1.00 0.00 O ATOM 320 ND2 ASN A 428 74.073 -11.637 -10.431 1.00 0.00 N ATOM 0 H ASN A 428 71.148 -9.851 -7.396 1.00 0.00 H new ATOM 0 HA ASN A 428 73.847 -10.844 -7.330 1.00 0.00 H new ATOM 0 HB2 ASN A 428 72.023 -10.705 -9.206 1.00 0.00 H new ATOM 0 HB3 ASN A 428 72.488 -9.026 -9.391 1.00 0.00 H new ATOM 0 HD21 ASN A 428 74.862 -11.930 -11.007 1.00 0.00 H new ATOM 0 HD22 ASN A 428 73.312 -12.289 -10.238 1.00 0.00 H new ATOM 327 N THR A 429 73.543 -7.604 -7.123 1.00 0.00 N ATOM 328 CA THR A 429 74.329 -6.367 -6.843 1.00 0.00 C ATOM 329 C THR A 429 74.002 -5.847 -5.439 1.00 0.00 C ATOM 330 O THR A 429 74.818 -5.215 -4.796 1.00 0.00 O ATOM 331 CB THR A 429 73.881 -5.363 -7.908 1.00 0.00 C ATOM 332 OG1 THR A 429 72.462 -5.360 -7.984 1.00 0.00 O ATOM 333 CG2 THR A 429 74.466 -5.758 -9.264 1.00 0.00 C ATOM 0 H THR A 429 72.531 -7.480 -7.130 1.00 0.00 H new ATOM 0 HA THR A 429 75.405 -6.540 -6.877 1.00 0.00 H new ATOM 0 HB THR A 429 74.234 -4.367 -7.641 1.00 0.00 H new ATOM 0 HG1 THR A 429 72.172 -4.717 -8.664 1.00 0.00 H new ATOM 0 HG21 THR A 429 74.146 -5.042 -10.021 1.00 0.00 H new ATOM 0 HG22 THR A 429 75.554 -5.760 -9.204 1.00 0.00 H new ATOM 0 HG23 THR A 429 74.115 -6.754 -9.535 1.00 0.00 H new ATOM 341 N TRP A 430 72.813 -6.110 -4.961 1.00 0.00 N ATOM 342 CA TRP A 430 72.429 -5.636 -3.599 1.00 0.00 C ATOM 343 C TRP A 430 73.082 -6.506 -2.526 1.00 0.00 C ATOM 344 O TRP A 430 73.608 -7.565 -2.805 1.00 0.00 O ATOM 345 CB TRP A 430 70.913 -5.796 -3.521 1.00 0.00 C ATOM 346 CG TRP A 430 70.411 -5.123 -2.294 1.00 0.00 C ATOM 347 CD1 TRP A 430 70.087 -3.816 -2.158 1.00 0.00 C ATOM 348 CD2 TRP A 430 70.184 -5.737 -1.024 1.00 0.00 C ATOM 349 NE1 TRP A 430 69.670 -3.605 -0.849 1.00 0.00 N ATOM 350 CE2 TRP A 430 69.716 -4.775 -0.111 1.00 0.00 C ATOM 351 CE3 TRP A 430 70.349 -7.044 -0.604 1.00 0.00 C ATOM 352 CZ2 TRP A 430 69.417 -5.116 1.209 1.00 0.00 C ATOM 353 CZ3 TRP A 430 70.054 -7.409 0.720 1.00 0.00 C ATOM 354 CH2 TRP A 430 69.588 -6.444 1.628 1.00 0.00 C ATOM 0 H TRP A 430 72.091 -6.633 -5.456 1.00 0.00 H new ATOM 0 HA TRP A 430 72.749 -4.607 -3.434 1.00 0.00 H new ATOM 0 HB2 TRP A 430 70.444 -5.363 -4.405 1.00 0.00 H new ATOM 0 HB3 TRP A 430 70.648 -6.853 -3.504 1.00 0.00 H new ATOM 0 HD1 TRP A 430 70.143 -3.066 -2.933 1.00 0.00 H new ATOM 0 HE1 TRP A 430 69.369 -2.703 -0.480 1.00 0.00 H new ATOM 0 HE3 TRP A 430 70.707 -7.789 -1.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 430 69.058 -4.367 1.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 430 70.186 -8.432 1.040 1.00 0.00 H new ATOM 0 HH2 TRP A 430 69.362 -6.724 2.646 1.00 0.00 H new ATOM 365 N VAL A 431 73.032 -6.072 -1.297 1.00 0.00 N ATOM 366 CA VAL A 431 73.629 -6.870 -0.189 1.00 0.00 C ATOM 367 C VAL A 431 72.914 -6.547 1.129 1.00 0.00 C ATOM 368 O VAL A 431 72.246 -5.537 1.235 1.00 0.00 O ATOM 369 CB VAL A 431 75.093 -6.441 -0.119 1.00 0.00 C ATOM 370 CG1 VAL A 431 75.811 -6.831 -1.412 1.00 0.00 C ATOM 371 CG2 VAL A 431 75.179 -4.924 0.074 1.00 0.00 C ATOM 0 H VAL A 431 72.600 -5.193 -1.011 1.00 0.00 H new ATOM 0 HA VAL A 431 73.533 -7.943 -0.358 1.00 0.00 H new ATOM 0 HB VAL A 431 75.570 -6.942 0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 431 76.855 -6.522 -1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 431 75.759 -7.912 -1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 431 75.332 -6.337 -2.257 1.00 0.00 H new ATOM 0 HG21 VAL A 431 76.225 -4.622 0.123 1.00 0.00 H new ATOM 0 HG22 VAL A 431 74.696 -4.423 -0.765 1.00 0.00 H new ATOM 0 HG23 VAL A 431 74.677 -4.646 1.001 1.00 0.00 H new ATOM 381 N PRO A 432 73.081 -7.411 2.097 1.00 0.00 N ATOM 382 CA PRO A 432 72.440 -7.197 3.417 1.00 0.00 C ATOM 383 C PRO A 432 73.142 -6.062 4.169 1.00 0.00 C ATOM 384 O PRO A 432 74.206 -6.242 4.730 1.00 0.00 O ATOM 385 CB PRO A 432 72.636 -8.531 4.132 1.00 0.00 C ATOM 386 CG PRO A 432 73.835 -9.146 3.482 1.00 0.00 C ATOM 387 CD PRO A 432 73.868 -8.652 2.060 1.00 0.00 C ATOM 0 HA PRO A 432 71.391 -6.911 3.346 1.00 0.00 H new ATOM 0 HB2 PRO A 432 72.797 -8.386 5.200 1.00 0.00 H new ATOM 0 HB3 PRO A 432 71.758 -9.169 4.025 1.00 0.00 H new ATOM 0 HG2 PRO A 432 74.746 -8.864 4.009 1.00 0.00 H new ATOM 0 HG3 PRO A 432 73.774 -10.234 3.511 1.00 0.00 H new ATOM 0 HD2 PRO A 432 74.889 -8.468 1.725 1.00 0.00 H new ATOM 0 HD3 PRO A 432 73.434 -9.380 1.374 1.00 0.00 H new ATOM 395 N PHE A 433 72.556 -4.896 4.178 1.00 0.00 N ATOM 396 CA PHE A 433 73.187 -3.744 4.888 1.00 0.00 C ATOM 397 C PHE A 433 72.398 -3.405 6.156 1.00 0.00 C ATOM 398 O PHE A 433 72.929 -2.842 7.095 1.00 0.00 O ATOM 399 CB PHE A 433 73.119 -2.586 3.892 1.00 0.00 C ATOM 400 CG PHE A 433 74.388 -1.772 3.975 1.00 0.00 C ATOM 401 CD1 PHE A 433 75.622 -2.372 3.698 1.00 0.00 C ATOM 402 CD2 PHE A 433 74.331 -0.419 4.329 1.00 0.00 C ATOM 403 CE1 PHE A 433 76.800 -1.619 3.775 1.00 0.00 C ATOM 404 CE2 PHE A 433 75.509 0.334 4.406 1.00 0.00 C ATOM 405 CZ PHE A 433 76.743 -0.266 4.129 1.00 0.00 C ATOM 0 H PHE A 433 71.666 -4.690 3.724 1.00 0.00 H new ATOM 0 HA PHE A 433 74.209 -3.960 5.199 1.00 0.00 H new ATOM 0 HB2 PHE A 433 72.987 -2.970 2.881 1.00 0.00 H new ATOM 0 HB3 PHE A 433 72.256 -1.956 4.109 1.00 0.00 H new ATOM 0 HD1 PHE A 433 75.665 -3.416 3.425 1.00 0.00 H new ATOM 0 HD2 PHE A 433 73.379 0.044 4.543 1.00 0.00 H new ATOM 0 HE1 PHE A 433 77.752 -2.082 3.561 1.00 0.00 H new ATOM 0 HE2 PHE A 433 75.466 1.378 4.679 1.00 0.00 H new ATOM 0 HZ PHE A 433 77.651 0.315 4.188 1.00 0.00 H new ATOM 415 N TYR A 434 71.137 -3.739 6.189 1.00 0.00 N ATOM 416 CA TYR A 434 70.311 -3.432 7.394 1.00 0.00 C ATOM 417 C TYR A 434 70.538 -4.495 8.473 1.00 0.00 C ATOM 418 O TYR A 434 71.069 -5.556 8.208 1.00 0.00 O ATOM 419 CB TYR A 434 68.859 -3.464 6.907 1.00 0.00 C ATOM 420 CG TYR A 434 68.718 -2.601 5.673 1.00 0.00 C ATOM 421 CD1 TYR A 434 69.021 -1.236 5.732 1.00 0.00 C ATOM 422 CD2 TYR A 434 68.285 -3.170 4.469 1.00 0.00 C ATOM 423 CE1 TYR A 434 68.893 -0.439 4.587 1.00 0.00 C ATOM 424 CE2 TYR A 434 68.156 -2.375 3.325 1.00 0.00 C ATOM 425 CZ TYR A 434 68.459 -1.010 3.384 1.00 0.00 C ATOM 426 OH TYR A 434 68.332 -0.225 2.256 1.00 0.00 O ATOM 0 H TYR A 434 70.641 -4.212 5.433 1.00 0.00 H new ATOM 0 HA TYR A 434 70.569 -2.469 7.834 1.00 0.00 H new ATOM 0 HB2 TYR A 434 68.563 -4.489 6.682 1.00 0.00 H new ATOM 0 HB3 TYR A 434 68.194 -3.105 7.692 1.00 0.00 H new ATOM 0 HD1 TYR A 434 69.354 -0.797 6.661 1.00 0.00 H new ATOM 0 HD2 TYR A 434 68.050 -4.223 4.423 1.00 0.00 H new ATOM 0 HE1 TYR A 434 69.129 0.614 4.632 1.00 0.00 H new ATOM 0 HE2 TYR A 434 67.823 -2.815 2.397 1.00 0.00 H new ATOM 0 HH TYR A 434 68.022 -0.776 1.507 1.00 0.00 H new ATOM 436 N SER A 435 70.139 -4.218 9.686 1.00 0.00 N ATOM 437 CA SER A 435 70.332 -5.210 10.782 1.00 0.00 C ATOM 438 C SER A 435 69.131 -6.156 10.859 1.00 0.00 C ATOM 439 O SER A 435 69.275 -7.338 11.106 1.00 0.00 O ATOM 440 CB SER A 435 70.441 -4.376 12.058 1.00 0.00 C ATOM 441 OG SER A 435 71.718 -3.753 12.104 1.00 0.00 O ATOM 0 H SER A 435 69.688 -3.347 9.965 1.00 0.00 H new ATOM 0 HA SER A 435 71.214 -5.831 10.625 1.00 0.00 H new ATOM 0 HB2 SER A 435 69.655 -3.622 12.082 1.00 0.00 H new ATOM 0 HB3 SER A 435 70.301 -5.010 12.934 1.00 0.00 H new ATOM 0 HG SER A 435 71.791 -3.216 12.920 1.00 0.00 H new ATOM 447 N THR A 436 67.947 -5.645 10.650 1.00 0.00 N ATOM 448 CA THR A 436 66.736 -6.514 10.712 1.00 0.00 C ATOM 449 C THR A 436 66.677 -7.428 9.484 1.00 0.00 C ATOM 450 O THR A 436 66.134 -8.514 9.534 1.00 0.00 O ATOM 451 CB THR A 436 65.551 -5.547 10.719 1.00 0.00 C ATOM 452 OG1 THR A 436 65.671 -4.645 9.627 1.00 0.00 O ATOM 453 CG2 THR A 436 65.536 -4.762 12.031 1.00 0.00 C ATOM 0 H THR A 436 67.766 -4.664 10.439 1.00 0.00 H new ATOM 0 HA THR A 436 66.738 -7.161 11.589 1.00 0.00 H new ATOM 0 HB THR A 436 64.623 -6.111 10.626 1.00 0.00 H new ATOM 0 HG1 THR A 436 64.911 -4.026 9.629 1.00 0.00 H new ATOM 0 HG21 THR A 436 64.691 -4.074 12.034 1.00 0.00 H new ATOM 0 HG22 THR A 436 65.443 -5.454 12.868 1.00 0.00 H new ATOM 0 HG23 THR A 436 66.464 -4.198 12.128 1.00 0.00 H new ATOM 461 N GLU A 437 67.233 -6.995 8.384 1.00 0.00 N ATOM 462 CA GLU A 437 67.211 -7.836 7.152 1.00 0.00 C ATOM 463 C GLU A 437 68.595 -8.441 6.902 1.00 0.00 C ATOM 464 O GLU A 437 69.608 -7.824 7.168 1.00 0.00 O ATOM 465 CB GLU A 437 66.832 -6.876 6.023 1.00 0.00 C ATOM 466 CG GLU A 437 65.452 -6.277 6.300 1.00 0.00 C ATOM 467 CD GLU A 437 64.377 -7.339 6.066 1.00 0.00 C ATOM 468 OE1 GLU A 437 64.249 -8.219 6.902 1.00 0.00 O ATOM 469 OE2 GLU A 437 63.698 -7.255 5.055 1.00 0.00 O ATOM 0 H GLU A 437 67.702 -6.095 8.285 1.00 0.00 H new ATOM 0 HA GLU A 437 66.510 -8.667 7.231 1.00 0.00 H new ATOM 0 HB2 GLU A 437 67.575 -6.082 5.942 1.00 0.00 H new ATOM 0 HB3 GLU A 437 66.826 -7.404 5.070 1.00 0.00 H new ATOM 0 HG2 GLU A 437 65.401 -5.913 7.326 1.00 0.00 H new ATOM 0 HG3 GLU A 437 65.279 -5.420 5.649 1.00 0.00 H new ATOM 476 N LEU A 438 68.645 -9.643 6.392 1.00 0.00 N ATOM 477 CA LEU A 438 69.963 -10.288 6.123 1.00 0.00 C ATOM 478 C LEU A 438 69.996 -10.866 4.704 1.00 0.00 C ATOM 479 O LEU A 438 70.752 -11.771 4.413 1.00 0.00 O ATOM 480 CB LEU A 438 70.079 -11.408 7.162 1.00 0.00 C ATOM 481 CG LEU A 438 68.893 -12.368 7.027 1.00 0.00 C ATOM 482 CD1 LEU A 438 69.388 -13.813 7.116 1.00 0.00 C ATOM 483 CD2 LEU A 438 67.891 -12.105 8.154 1.00 0.00 C ATOM 0 H LEU A 438 67.830 -10.206 6.150 1.00 0.00 H new ATOM 0 HA LEU A 438 70.788 -9.579 6.194 1.00 0.00 H new ATOM 0 HB2 LEU A 438 71.015 -11.950 7.023 1.00 0.00 H new ATOM 0 HB3 LEU A 438 70.103 -10.984 8.166 1.00 0.00 H new ATOM 0 HG LEU A 438 68.409 -12.209 6.063 1.00 0.00 H new ATOM 0 HD11 LEU A 438 68.542 -14.494 7.020 1.00 0.00 H new ATOM 0 HD12 LEU A 438 70.101 -14.004 6.313 1.00 0.00 H new ATOM 0 HD13 LEU A 438 69.874 -13.972 8.078 1.00 0.00 H new ATOM 0 HD21 LEU A 438 67.047 -12.788 8.058 1.00 0.00 H new ATOM 0 HD22 LEU A 438 68.377 -12.262 9.117 1.00 0.00 H new ATOM 0 HD23 LEU A 438 67.534 -11.077 8.091 1.00 0.00 H new ATOM 495 N ASN A 439 69.183 -10.348 3.821 1.00 0.00 N ATOM 496 CA ASN A 439 69.167 -10.868 2.421 1.00 0.00 C ATOM 497 C ASN A 439 68.259 -10.002 1.541 1.00 0.00 C ATOM 498 O ASN A 439 68.543 -9.770 0.382 1.00 0.00 O ATOM 499 CB ASN A 439 68.611 -12.291 2.525 1.00 0.00 C ATOM 500 CG ASN A 439 69.700 -13.297 2.141 1.00 0.00 C ATOM 501 OD1 ASN A 439 70.874 -13.014 2.265 1.00 0.00 O ATOM 502 ND2 ASN A 439 69.356 -14.466 1.676 1.00 0.00 N ATOM 0 H ASN A 439 68.529 -9.588 4.008 1.00 0.00 H new ATOM 0 HA ASN A 439 70.159 -10.851 1.969 1.00 0.00 H new ATOM 0 HB2 ASN A 439 68.265 -12.484 3.541 1.00 0.00 H new ATOM 0 HB3 ASN A 439 67.749 -12.404 1.868 1.00 0.00 H new ATOM 0 HD21 ASN A 439 70.074 -15.143 1.416 1.00 0.00 H new ATOM 0 HD22 ASN A 439 68.369 -14.703 1.572 1.00 0.00 H new ATOM 509 N LYS A 440 67.167 -9.527 2.080 1.00 0.00 N ATOM 510 CA LYS A 440 66.243 -8.681 1.267 1.00 0.00 C ATOM 511 C LYS A 440 66.309 -7.217 1.727 1.00 0.00 C ATOM 512 O LYS A 440 66.572 -6.943 2.881 1.00 0.00 O ATOM 513 CB LYS A 440 64.847 -9.265 1.511 1.00 0.00 C ATOM 514 CG LYS A 440 64.445 -9.072 2.978 1.00 0.00 C ATOM 515 CD LYS A 440 63.804 -10.356 3.510 1.00 0.00 C ATOM 516 CE LYS A 440 63.584 -10.229 5.019 1.00 0.00 C ATOM 517 NZ LYS A 440 62.888 -11.486 5.412 1.00 0.00 N ATOM 0 H LYS A 440 66.875 -9.687 3.044 1.00 0.00 H new ATOM 0 HA LYS A 440 66.506 -8.687 0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 440 64.121 -8.778 0.860 1.00 0.00 H new ATOM 0 HB3 LYS A 440 64.839 -10.326 1.260 1.00 0.00 H new ATOM 0 HG2 LYS A 440 65.321 -8.817 3.575 1.00 0.00 H new ATOM 0 HG3 LYS A 440 63.746 -8.241 3.067 1.00 0.00 H new ATOM 0 HD2 LYS A 440 62.854 -10.536 3.007 1.00 0.00 H new ATOM 0 HD3 LYS A 440 64.445 -11.211 3.296 1.00 0.00 H new ATOM 0 HE2 LYS A 440 64.530 -10.119 5.548 1.00 0.00 H new ATOM 0 HE3 LYS A 440 62.982 -9.353 5.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 62.702 -11.474 6.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 61.987 -11.560 4.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 63.488 -12.303 5.178 1.00 0.00 H new ATOM 531 N PRO A 441 66.062 -6.323 0.802 1.00 0.00 N ATOM 532 CA PRO A 441 66.089 -4.871 1.117 1.00 0.00 C ATOM 533 C PRO A 441 64.912 -4.485 2.018 1.00 0.00 C ATOM 534 O PRO A 441 63.915 -5.175 2.084 1.00 0.00 O ATOM 535 CB PRO A 441 65.956 -4.205 -0.253 1.00 0.00 C ATOM 536 CG PRO A 441 65.283 -5.227 -1.110 1.00 0.00 C ATOM 537 CD PRO A 441 65.738 -6.571 -0.609 1.00 0.00 C ATOM 0 HA PRO A 441 66.990 -4.572 1.653 1.00 0.00 H new ATOM 0 HB2 PRO A 441 65.367 -3.290 -0.192 1.00 0.00 H new ATOM 0 HB3 PRO A 441 66.931 -3.931 -0.656 1.00 0.00 H new ATOM 0 HG2 PRO A 441 64.199 -5.135 -1.044 1.00 0.00 H new ATOM 0 HG3 PRO A 441 65.551 -5.092 -2.158 1.00 0.00 H new ATOM 0 HD2 PRO A 441 64.957 -7.324 -0.714 1.00 0.00 H new ATOM 0 HD3 PRO A 441 66.605 -6.932 -1.162 1.00 0.00 H new ATOM 545 N ALA A 442 65.023 -3.377 2.701 1.00 0.00 N ATOM 546 CA ALA A 442 63.914 -2.928 3.591 1.00 0.00 C ATOM 547 C ALA A 442 63.096 -1.845 2.884 1.00 0.00 C ATOM 548 O ALA A 442 63.416 -0.674 2.939 1.00 0.00 O ATOM 549 CB ALA A 442 64.604 -2.358 4.831 1.00 0.00 C ATOM 0 H ALA A 442 65.837 -2.762 2.681 1.00 0.00 H new ATOM 0 HA ALA A 442 63.229 -3.736 3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 442 63.852 -2.005 5.536 1.00 0.00 H new ATOM 0 HB2 ALA A 442 65.207 -3.135 5.302 1.00 0.00 H new ATOM 0 HB3 ALA A 442 65.246 -1.527 4.540 1.00 0.00 H new ATOM 555 N MET A 443 62.049 -2.233 2.209 1.00 0.00 N ATOM 556 CA MET A 443 61.212 -1.235 1.482 1.00 0.00 C ATOM 557 C MET A 443 60.470 -0.330 2.471 1.00 0.00 C ATOM 558 O MET A 443 60.437 -0.585 3.659 1.00 0.00 O ATOM 559 CB MET A 443 60.216 -2.066 0.670 1.00 0.00 C ATOM 560 CG MET A 443 60.901 -2.606 -0.585 1.00 0.00 C ATOM 561 SD MET A 443 59.755 -3.682 -1.483 1.00 0.00 S ATOM 562 CE MET A 443 60.234 -3.183 -3.155 1.00 0.00 C ATOM 0 H MET A 443 61.736 -3.200 2.129 1.00 0.00 H new ATOM 0 HA MET A 443 61.815 -0.583 0.850 1.00 0.00 H new ATOM 0 HB2 MET A 443 59.838 -2.891 1.274 1.00 0.00 H new ATOM 0 HB3 MET A 443 59.357 -1.454 0.393 1.00 0.00 H new ATOM 0 HG2 MET A 443 61.217 -1.781 -1.223 1.00 0.00 H new ATOM 0 HG3 MET A 443 61.799 -3.160 -0.312 1.00 0.00 H new ATOM 0 HE1 MET A 443 59.349 -3.139 -3.789 1.00 0.00 H new ATOM 0 HE2 MET A 443 60.704 -2.200 -3.121 1.00 0.00 H new ATOM 0 HE3 MET A 443 60.938 -3.908 -3.564 1.00 0.00 H new ATOM 572 N ILE A 444 59.873 0.724 1.983 1.00 0.00 N ATOM 573 CA ILE A 444 59.128 1.655 2.871 1.00 0.00 C ATOM 574 C ILE A 444 57.722 1.885 2.312 1.00 0.00 C ATOM 575 O ILE A 444 57.499 1.799 1.119 1.00 0.00 O ATOM 576 CB ILE A 444 59.933 2.953 2.848 1.00 0.00 C ATOM 577 CG1 ILE A 444 60.136 3.413 1.400 1.00 0.00 C ATOM 578 CG2 ILE A 444 61.296 2.722 3.505 1.00 0.00 C ATOM 579 CD1 ILE A 444 60.031 4.937 1.327 1.00 0.00 C ATOM 0 H ILE A 444 59.871 0.980 0.996 1.00 0.00 H new ATOM 0 HA ILE A 444 59.015 1.268 3.884 1.00 0.00 H new ATOM 0 HB ILE A 444 59.389 3.722 3.397 1.00 0.00 H new ATOM 0 HG12 ILE A 444 61.111 3.088 1.038 1.00 0.00 H new ATOM 0 HG13 ILE A 444 59.387 2.955 0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 444 61.870 3.649 3.488 1.00 0.00 H new ATOM 0 HG22 ILE A 444 61.153 2.403 4.537 1.00 0.00 H new ATOM 0 HG23 ILE A 444 61.837 1.950 2.958 1.00 0.00 H new ATOM 0 HD11 ILE A 444 60.176 5.263 0.297 1.00 0.00 H new ATOM 0 HD12 ILE A 444 59.046 5.251 1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 444 60.797 5.385 1.960 1.00 0.00 H new ATOM 591 N TYR A 445 56.773 2.168 3.164 1.00 0.00 N ATOM 592 CA TYR A 445 55.377 2.396 2.685 1.00 0.00 C ATOM 593 C TYR A 445 55.135 3.885 2.412 1.00 0.00 C ATOM 594 O TYR A 445 55.263 4.714 3.292 1.00 0.00 O ATOM 595 CB TYR A 445 54.489 1.910 3.831 1.00 0.00 C ATOM 596 CG TYR A 445 53.038 1.996 3.421 1.00 0.00 C ATOM 597 CD1 TYR A 445 52.347 3.207 3.544 1.00 0.00 C ATOM 598 CD2 TYR A 445 52.385 0.865 2.917 1.00 0.00 C ATOM 599 CE1 TYR A 445 51.002 3.287 3.165 1.00 0.00 C ATOM 600 CE2 TYR A 445 51.039 0.945 2.539 1.00 0.00 C ATOM 601 CZ TYR A 445 50.348 2.156 2.661 1.00 0.00 C ATOM 602 OH TYR A 445 49.022 2.234 2.288 1.00 0.00 O ATOM 0 H TYR A 445 56.904 2.251 4.172 1.00 0.00 H new ATOM 0 HA TYR A 445 55.172 1.872 1.752 1.00 0.00 H new ATOM 0 HB2 TYR A 445 54.743 0.882 4.091 1.00 0.00 H new ATOM 0 HB3 TYR A 445 54.662 2.516 4.720 1.00 0.00 H new ATOM 0 HD1 TYR A 445 52.852 4.080 3.931 1.00 0.00 H new ATOM 0 HD2 TYR A 445 52.919 -0.069 2.820 1.00 0.00 H new ATOM 0 HE1 TYR A 445 50.469 4.221 3.261 1.00 0.00 H new ATOM 0 HE2 TYR A 445 50.534 0.072 2.153 1.00 0.00 H new ATOM 0 HH TYR A 445 48.952 2.169 1.313 1.00 0.00 H new ATOM 612 N CYS A 446 54.776 4.227 1.202 1.00 0.00 N ATOM 613 CA CYS A 446 54.517 5.663 0.876 1.00 0.00 C ATOM 614 C CYS A 446 53.161 6.091 1.444 1.00 0.00 C ATOM 615 O CYS A 446 52.313 5.270 1.736 1.00 0.00 O ATOM 616 CB CYS A 446 54.505 5.732 -0.654 1.00 0.00 C ATOM 617 SG CYS A 446 54.236 7.444 -1.188 1.00 0.00 S ATOM 0 H CYS A 446 54.651 3.576 0.426 1.00 0.00 H new ATOM 0 HA CYS A 446 55.269 6.327 1.304 1.00 0.00 H new ATOM 0 HB2 CYS A 446 55.450 5.361 -1.052 1.00 0.00 H new ATOM 0 HB3 CYS A 446 53.719 5.090 -1.050 1.00 0.00 H new ATOM 0 HG CYS A 446 55.206 7.811 -1.972 1.00 0.00 H new ATOM 622 N SER A 447 52.950 7.370 1.604 1.00 0.00 N ATOM 623 CA SER A 447 51.649 7.851 2.154 1.00 0.00 C ATOM 624 C SER A 447 50.916 8.704 1.115 1.00 0.00 C ATOM 625 O SER A 447 50.468 9.798 1.401 1.00 0.00 O ATOM 626 CB SER A 447 52.023 8.694 3.373 1.00 0.00 C ATOM 627 OG SER A 447 50.920 8.740 4.269 1.00 0.00 O ATOM 0 H SER A 447 53.622 8.103 1.378 1.00 0.00 H new ATOM 0 HA SER A 447 50.982 7.029 2.415 1.00 0.00 H new ATOM 0 HB2 SER A 447 52.893 8.267 3.871 1.00 0.00 H new ATOM 0 HB3 SER A 447 52.296 9.702 3.062 1.00 0.00 H new ATOM 0 HG SER A 447 51.157 9.279 5.053 1.00 0.00 H new ATOM 633 N HIS A 448 50.790 8.210 -0.088 1.00 0.00 N ATOM 634 CA HIS A 448 50.086 8.991 -1.148 1.00 0.00 C ATOM 635 C HIS A 448 49.113 8.089 -1.911 1.00 0.00 C ATOM 636 O HIS A 448 49.506 7.124 -2.537 1.00 0.00 O ATOM 637 CB HIS A 448 51.195 9.488 -2.076 1.00 0.00 C ATOM 638 CG HIS A 448 50.621 10.452 -3.080 1.00 0.00 C ATOM 639 ND1 HIS A 448 51.373 10.970 -4.121 1.00 0.00 N ATOM 640 CD2 HIS A 448 49.369 11.000 -3.215 1.00 0.00 C ATOM 641 CE1 HIS A 448 50.577 11.790 -4.831 1.00 0.00 C ATOM 642 NE2 HIS A 448 49.344 11.845 -4.321 1.00 0.00 N ATOM 0 H HIS A 448 51.144 7.300 -0.383 1.00 0.00 H new ATOM 0 HA HIS A 448 49.501 9.813 -0.735 1.00 0.00 H new ATOM 0 HB2 HIS A 448 51.978 9.976 -1.495 1.00 0.00 H new ATOM 0 HB3 HIS A 448 51.658 8.645 -2.590 1.00 0.00 H new ATOM 0 HD2 HIS A 448 48.531 10.805 -2.562 1.00 0.00 H new ATOM 0 HE1 HIS A 448 50.896 12.337 -5.706 1.00 0.00 H new ATOM 0 HE2 HIS A 448 48.554 12.389 -4.667 1.00 0.00 H new ATOM 650 N GLY A 449 47.843 8.395 -1.863 1.00 0.00 N ATOM 651 CA GLY A 449 46.843 7.558 -2.585 1.00 0.00 C ATOM 652 C GLY A 449 46.693 6.211 -1.874 1.00 0.00 C ATOM 653 O GLY A 449 46.132 6.127 -0.799 1.00 0.00 O ATOM 0 H GLY A 449 47.456 9.190 -1.354 1.00 0.00 H new ATOM 0 HA2 GLY A 449 45.882 8.071 -2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 449 47.160 7.403 -3.616 1.00 0.00 H new ATOM 657 N ASP A 450 47.191 5.159 -2.467 1.00 0.00 N ATOM 658 CA ASP A 450 47.078 3.816 -1.827 1.00 0.00 C ATOM 659 C ASP A 450 48.341 3.503 -1.022 1.00 0.00 C ATOM 660 O ASP A 450 48.293 2.838 -0.006 1.00 0.00 O ATOM 661 CB ASP A 450 46.926 2.836 -2.991 1.00 0.00 C ATOM 662 CG ASP A 450 45.478 2.850 -3.486 1.00 0.00 C ATOM 663 OD1 ASP A 450 44.661 2.171 -2.886 1.00 0.00 O ATOM 664 OD2 ASP A 450 45.212 3.537 -4.458 1.00 0.00 O ATOM 0 H ASP A 450 47.671 5.171 -3.367 1.00 0.00 H new ATOM 0 HA ASP A 450 46.240 3.759 -1.133 1.00 0.00 H new ATOM 0 HB2 ASP A 450 47.601 3.111 -3.802 1.00 0.00 H new ATOM 0 HB3 ASP A 450 47.203 1.831 -2.672 1.00 0.00 H new ATOM 669 N GLY A 451 49.473 3.978 -1.469 1.00 0.00 N ATOM 670 CA GLY A 451 50.741 3.709 -0.732 1.00 0.00 C ATOM 671 C GLY A 451 51.385 2.429 -1.269 1.00 0.00 C ATOM 672 O GLY A 451 50.737 1.412 -1.417 1.00 0.00 O ATOM 0 H GLY A 451 49.574 4.541 -2.313 1.00 0.00 H new ATOM 0 HA2 GLY A 451 51.426 4.549 -0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 451 50.539 3.607 0.334 1.00 0.00 H new ATOM 676 N HIS A 452 52.660 2.470 -1.551 1.00 0.00 N ATOM 677 CA HIS A 452 53.354 1.253 -2.065 1.00 0.00 C ATOM 678 C HIS A 452 54.618 0.980 -1.262 1.00 0.00 C ATOM 679 O HIS A 452 54.987 1.732 -0.380 1.00 0.00 O ATOM 680 CB HIS A 452 53.699 1.523 -3.534 1.00 0.00 C ATOM 681 CG HIS A 452 54.451 2.823 -3.685 1.00 0.00 C ATOM 682 ND1 HIS A 452 55.691 2.888 -4.305 1.00 0.00 N ATOM 683 CD2 HIS A 452 54.153 4.112 -3.316 1.00 0.00 C ATOM 684 CE1 HIS A 452 56.086 4.175 -4.288 1.00 0.00 C ATOM 685 NE2 HIS A 452 55.184 4.958 -3.696 1.00 0.00 N ATOM 0 H HIS A 452 53.252 3.294 -1.448 1.00 0.00 H new ATOM 0 HA HIS A 452 52.716 0.375 -1.972 1.00 0.00 H new ATOM 0 HB2 HIS A 452 54.301 0.703 -3.926 1.00 0.00 H new ATOM 0 HB3 HIS A 452 52.784 1.558 -4.125 1.00 0.00 H new ATOM 0 HD2 HIS A 452 53.252 4.420 -2.807 1.00 0.00 H new ATOM 0 HE1 HIS A 452 57.018 4.529 -4.703 1.00 0.00 H new ATOM 0 HE2 HIS A 452 55.240 5.966 -3.553 1.00 0.00 H new ATOM 693 N TRP A 453 55.278 -0.100 -1.565 1.00 0.00 N ATOM 694 CA TRP A 453 56.520 -0.458 -0.831 1.00 0.00 C ATOM 695 C TRP A 453 57.746 -0.260 -1.729 1.00 0.00 C ATOM 696 O TRP A 453 57.850 -0.849 -2.788 1.00 0.00 O ATOM 697 CB TRP A 453 56.335 -1.934 -0.492 1.00 0.00 C ATOM 698 CG TRP A 453 55.544 -2.063 0.771 1.00 0.00 C ATOM 699 CD1 TRP A 453 54.193 -2.045 0.843 1.00 0.00 C ATOM 700 CD2 TRP A 453 56.023 -2.231 2.137 1.00 0.00 C ATOM 701 NE1 TRP A 453 53.813 -2.191 2.165 1.00 0.00 N ATOM 702 CE2 TRP A 453 54.905 -2.310 3.001 1.00 0.00 C ATOM 703 CE3 TRP A 453 57.306 -2.322 2.706 1.00 0.00 C ATOM 704 CZ2 TRP A 453 55.055 -2.472 4.380 1.00 0.00 C ATOM 705 CZ3 TRP A 453 57.461 -2.486 4.092 1.00 0.00 C ATOM 706 CH2 TRP A 453 56.337 -2.560 4.927 1.00 0.00 C ATOM 0 H TRP A 453 55.007 -0.756 -2.297 1.00 0.00 H new ATOM 0 HA TRP A 453 56.682 0.158 0.053 1.00 0.00 H new ATOM 0 HB2 TRP A 453 55.822 -2.443 -1.308 1.00 0.00 H new ATOM 0 HB3 TRP A 453 57.306 -2.415 -0.376 1.00 0.00 H new ATOM 0 HD1 TRP A 453 53.521 -1.935 0.005 1.00 0.00 H new ATOM 0 HE1 TRP A 453 52.844 -2.209 2.483 1.00 0.00 H new ATOM 0 HE3 TRP A 453 58.179 -2.265 2.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 453 54.186 -2.529 5.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 453 58.451 -2.556 4.517 1.00 0.00 H new ATOM 0 HH2 TRP A 453 56.463 -2.685 5.992 1.00 0.00 H new ATOM 717 N VAL A 454 58.677 0.564 -1.318 1.00 0.00 N ATOM 718 CA VAL A 454 59.894 0.791 -2.159 1.00 0.00 C ATOM 719 C VAL A 454 61.160 0.790 -1.293 1.00 0.00 C ATOM 720 O VAL A 454 61.152 1.233 -0.163 1.00 0.00 O ATOM 721 CB VAL A 454 59.686 2.156 -2.820 1.00 0.00 C ATOM 722 CG1 VAL A 454 58.521 2.073 -3.808 1.00 0.00 C ATOM 723 CG2 VAL A 454 59.371 3.204 -1.756 1.00 0.00 C ATOM 0 H VAL A 454 58.649 1.087 -0.443 1.00 0.00 H new ATOM 0 HA VAL A 454 60.026 0.002 -2.900 1.00 0.00 H new ATOM 0 HB VAL A 454 60.596 2.440 -3.348 1.00 0.00 H new ATOM 0 HG11 VAL A 454 58.373 3.045 -4.279 1.00 0.00 H new ATOM 0 HG12 VAL A 454 58.745 1.330 -4.573 1.00 0.00 H new ATOM 0 HG13 VAL A 454 57.614 1.785 -3.277 1.00 0.00 H new ATOM 0 HG21 VAL A 454 59.224 4.173 -2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 454 58.463 2.920 -1.223 1.00 0.00 H new ATOM 0 HG23 VAL A 454 60.200 3.268 -1.052 1.00 0.00 H new ATOM 733 N HIS A 455 62.250 0.288 -1.819 1.00 0.00 N ATOM 734 CA HIS A 455 63.529 0.239 -1.035 1.00 0.00 C ATOM 735 C HIS A 455 63.812 1.586 -0.362 1.00 0.00 C ATOM 736 O HIS A 455 63.306 2.614 -0.768 1.00 0.00 O ATOM 737 CB HIS A 455 64.632 -0.076 -2.055 1.00 0.00 C ATOM 738 CG HIS A 455 64.274 -1.299 -2.840 1.00 0.00 C ATOM 739 ND1 HIS A 455 64.161 -1.287 -4.235 1.00 0.00 N ATOM 740 CD2 HIS A 455 63.969 -2.569 -2.444 1.00 0.00 C ATOM 741 CE1 HIS A 455 63.790 -2.529 -4.620 1.00 0.00 C ATOM 742 NE2 HIS A 455 63.667 -3.317 -3.564 1.00 0.00 N ATOM 0 H HIS A 455 62.312 -0.093 -2.763 1.00 0.00 H new ATOM 0 HA HIS A 455 63.475 -0.509 -0.244 1.00 0.00 H new ATOM 0 HB2 HIS A 455 64.768 0.771 -2.728 1.00 0.00 H new ATOM 0 HB3 HIS A 455 65.581 -0.230 -1.540 1.00 0.00 H new ATOM 0 HD2 HIS A 455 63.965 -2.928 -1.426 1.00 0.00 H new ATOM 0 HE1 HIS A 455 63.619 -2.834 -5.642 1.00 0.00 H new ATOM 0 HE2 HIS A 455 63.397 -4.301 -3.576 1.00 0.00 H new ATOM 750 N ALA A 456 64.623 1.583 0.663 1.00 0.00 N ATOM 751 CA ALA A 456 64.951 2.857 1.366 1.00 0.00 C ATOM 752 C ALA A 456 66.299 3.393 0.873 1.00 0.00 C ATOM 753 O ALA A 456 66.424 4.549 0.518 1.00 0.00 O ATOM 754 CB ALA A 456 65.032 2.483 2.846 1.00 0.00 C ATOM 0 H ALA A 456 65.073 0.751 1.044 1.00 0.00 H new ATOM 0 HA ALA A 456 64.210 3.635 1.184 1.00 0.00 H new ATOM 0 HB1 ALA A 456 65.271 3.370 3.433 1.00 0.00 H new ATOM 0 HB2 ALA A 456 64.074 2.079 3.172 1.00 0.00 H new ATOM 0 HB3 ALA A 456 65.810 1.733 2.990 1.00 0.00 H new ATOM 760 N GLN A 457 67.304 2.558 0.845 1.00 0.00 N ATOM 761 CA GLN A 457 68.645 3.014 0.372 1.00 0.00 C ATOM 762 C GLN A 457 68.549 3.507 -1.075 1.00 0.00 C ATOM 763 O GLN A 457 69.314 4.350 -1.505 1.00 0.00 O ATOM 764 CB GLN A 457 69.543 1.778 0.467 1.00 0.00 C ATOM 765 CG GLN A 457 70.954 2.125 -0.016 1.00 0.00 C ATOM 766 CD GLN A 457 71.161 1.585 -1.432 1.00 0.00 C ATOM 767 OE1 GLN A 457 70.294 1.706 -2.274 1.00 0.00 O ATOM 768 NE2 GLN A 457 72.281 0.987 -1.732 1.00 0.00 N ATOM 0 H GLN A 457 67.255 1.580 1.129 1.00 0.00 H new ATOM 0 HA GLN A 457 69.036 3.841 0.964 1.00 0.00 H new ATOM 0 HB2 GLN A 457 69.578 1.421 1.496 1.00 0.00 H new ATOM 0 HB3 GLN A 457 69.130 0.970 -0.137 1.00 0.00 H new ATOM 0 HG2 GLN A 457 71.098 3.205 -0.004 1.00 0.00 H new ATOM 0 HG3 GLN A 457 71.695 1.697 0.659 1.00 0.00 H new ATOM 0 HE21 GLN A 457 73.010 0.885 -1.026 1.00 0.00 H new ATOM 0 HE22 GLN A 457 72.428 0.622 -2.673 1.00 0.00 H new ATOM 777 N CYS A 458 67.613 2.990 -1.826 1.00 0.00 N ATOM 778 CA CYS A 458 67.462 3.433 -3.245 1.00 0.00 C ATOM 779 C CYS A 458 67.239 4.947 -3.304 1.00 0.00 C ATOM 780 O CYS A 458 67.492 5.582 -4.309 1.00 0.00 O ATOM 781 CB CYS A 458 66.226 2.694 -3.764 1.00 0.00 C ATOM 782 SG CYS A 458 66.725 1.117 -4.501 1.00 0.00 S ATOM 0 H CYS A 458 66.947 2.281 -1.520 1.00 0.00 H new ATOM 0 HA CYS A 458 68.349 3.215 -3.840 1.00 0.00 H new ATOM 0 HB2 CYS A 458 65.525 2.520 -2.948 1.00 0.00 H new ATOM 0 HB3 CYS A 458 65.709 3.305 -4.504 1.00 0.00 H new ATOM 0 HG CYS A 458 65.700 0.320 -4.555 1.00 0.00 H new ATOM 787 N MET A 459 66.767 5.528 -2.232 1.00 0.00 N ATOM 788 CA MET A 459 66.526 7.001 -2.223 1.00 0.00 C ATOM 789 C MET A 459 67.555 7.697 -1.328 1.00 0.00 C ATOM 790 O MET A 459 67.304 8.759 -0.790 1.00 0.00 O ATOM 791 CB MET A 459 65.114 7.180 -1.650 1.00 0.00 C ATOM 792 CG MET A 459 64.141 6.204 -2.324 1.00 0.00 C ATOM 793 SD MET A 459 64.082 6.529 -4.104 1.00 0.00 S ATOM 794 CE MET A 459 62.638 5.502 -4.468 1.00 0.00 C ATOM 0 H MET A 459 66.538 5.046 -1.363 1.00 0.00 H new ATOM 0 HA MET A 459 66.617 7.436 -3.218 1.00 0.00 H new ATOM 0 HB2 MET A 459 65.126 7.008 -0.574 1.00 0.00 H new ATOM 0 HB3 MET A 459 64.778 8.205 -1.805 1.00 0.00 H new ATOM 0 HG2 MET A 459 64.458 5.177 -2.143 1.00 0.00 H new ATOM 0 HG3 MET A 459 63.146 6.312 -1.892 1.00 0.00 H new ATOM 0 HE1 MET A 459 62.868 4.831 -5.296 1.00 0.00 H new ATOM 0 HE2 MET A 459 62.378 4.915 -3.587 1.00 0.00 H new ATOM 0 HE3 MET A 459 61.797 6.140 -4.741 1.00 0.00 H new ATOM 804 N ASP A 460 68.711 7.106 -1.163 1.00 0.00 N ATOM 805 CA ASP A 460 69.761 7.728 -0.300 1.00 0.00 C ATOM 806 C ASP A 460 69.194 8.032 1.092 1.00 0.00 C ATOM 807 O ASP A 460 68.793 9.142 1.381 1.00 0.00 O ATOM 808 CB ASP A 460 70.158 9.022 -1.019 1.00 0.00 C ATOM 809 CG ASP A 460 71.679 9.077 -1.177 1.00 0.00 C ATOM 810 OD1 ASP A 460 72.336 9.529 -0.254 1.00 0.00 O ATOM 811 OD2 ASP A 460 72.160 8.666 -2.220 1.00 0.00 O ATOM 0 H ASP A 460 68.974 6.218 -1.590 1.00 0.00 H new ATOM 0 HA ASP A 460 70.617 7.069 -0.154 1.00 0.00 H new ATOM 0 HB2 ASP A 460 69.679 9.068 -1.997 1.00 0.00 H new ATOM 0 HB3 ASP A 460 69.810 9.886 -0.453 1.00 0.00 H new ATOM 816 N LEU A 461 69.159 7.051 1.954 1.00 0.00 N ATOM 817 CA LEU A 461 68.618 7.279 3.326 1.00 0.00 C ATOM 818 C LEU A 461 69.573 6.701 4.375 1.00 0.00 C ATOM 819 O LEU A 461 70.592 6.124 4.048 1.00 0.00 O ATOM 820 CB LEU A 461 67.280 6.537 3.352 1.00 0.00 C ATOM 821 CG LEU A 461 66.132 7.537 3.190 1.00 0.00 C ATOM 822 CD1 LEU A 461 65.078 6.959 2.243 1.00 0.00 C ATOM 823 CD2 LEU A 461 65.494 7.809 4.554 1.00 0.00 C ATOM 0 H LEU A 461 69.482 6.101 1.768 1.00 0.00 H new ATOM 0 HA LEU A 461 68.502 8.339 3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 461 67.247 5.798 2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 461 67.172 5.994 4.291 1.00 0.00 H new ATOM 0 HG LEU A 461 66.520 8.468 2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 461 64.261 7.672 2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 461 65.530 6.766 1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 461 64.691 6.027 2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 461 64.677 8.521 4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 461 65.108 6.877 4.967 1.00 0.00 H new ATOM 0 HD23 LEU A 461 66.242 8.223 5.230 1.00 0.00 H new ATOM 835 N GLU A 462 69.251 6.852 5.631 1.00 0.00 N ATOM 836 CA GLU A 462 70.138 6.313 6.703 1.00 0.00 C ATOM 837 C GLU A 462 69.546 5.025 7.282 1.00 0.00 C ATOM 838 O GLU A 462 68.381 4.729 7.099 1.00 0.00 O ATOM 839 CB GLU A 462 70.182 7.410 7.768 1.00 0.00 C ATOM 840 CG GLU A 462 71.448 8.250 7.586 1.00 0.00 C ATOM 841 CD GLU A 462 71.185 9.678 8.063 1.00 0.00 C ATOM 842 OE1 GLU A 462 71.028 9.864 9.259 1.00 0.00 O ATOM 843 OE2 GLU A 462 71.145 10.565 7.225 1.00 0.00 O ATOM 0 H GLU A 462 68.411 7.326 5.962 1.00 0.00 H new ATOM 0 HA GLU A 462 71.132 6.065 6.331 1.00 0.00 H new ATOM 0 HB2 GLU A 462 69.298 8.043 7.689 1.00 0.00 H new ATOM 0 HB3 GLU A 462 70.168 6.966 8.763 1.00 0.00 H new ATOM 0 HG2 GLU A 462 72.272 7.813 8.150 1.00 0.00 H new ATOM 0 HG3 GLU A 462 71.747 8.255 6.538 1.00 0.00 H new ATOM 850 N GLU A 463 70.341 4.258 7.980 1.00 0.00 N ATOM 851 CA GLU A 463 69.828 2.989 8.573 1.00 0.00 C ATOM 852 C GLU A 463 68.968 3.290 9.804 1.00 0.00 C ATOM 853 O GLU A 463 67.988 2.619 10.066 1.00 0.00 O ATOM 854 CB GLU A 463 71.078 2.203 8.971 1.00 0.00 C ATOM 855 CG GLU A 463 70.685 0.771 9.344 1.00 0.00 C ATOM 856 CD GLU A 463 71.813 0.125 10.150 1.00 0.00 C ATOM 857 OE1 GLU A 463 72.153 0.663 11.191 1.00 0.00 O ATOM 858 OE2 GLU A 463 72.317 -0.896 9.714 1.00 0.00 O ATOM 0 H GLU A 463 71.324 4.456 8.165 1.00 0.00 H new ATOM 0 HA GLU A 463 69.201 2.432 7.877 1.00 0.00 H new ATOM 0 HB2 GLU A 463 71.791 2.192 8.147 1.00 0.00 H new ATOM 0 HB3 GLU A 463 71.572 2.687 9.814 1.00 0.00 H new ATOM 0 HG2 GLU A 463 69.764 0.776 9.927 1.00 0.00 H new ATOM 0 HG3 GLU A 463 70.489 0.190 8.443 1.00 0.00 H new ATOM 865 N ARG A 464 69.326 4.293 10.559 1.00 0.00 N ATOM 866 CA ARG A 464 68.528 4.638 11.773 1.00 0.00 C ATOM 867 C ARG A 464 67.105 5.030 11.371 1.00 0.00 C ATOM 868 O ARG A 464 66.144 4.412 11.789 1.00 0.00 O ATOM 869 CB ARG A 464 69.254 5.827 12.412 1.00 0.00 C ATOM 870 CG ARG A 464 69.566 5.511 13.876 1.00 0.00 C ATOM 871 CD ARG A 464 68.421 6.007 14.762 1.00 0.00 C ATOM 872 NE ARG A 464 68.959 5.958 16.150 1.00 0.00 N ATOM 873 CZ ARG A 464 68.515 6.790 17.051 1.00 0.00 C ATOM 874 NH1 ARG A 464 67.231 6.978 17.190 1.00 0.00 N ATOM 875 NH2 ARG A 464 69.354 7.433 17.815 1.00 0.00 N ATOM 0 H ARG A 464 70.136 4.889 10.389 1.00 0.00 H new ATOM 0 HA ARG A 464 68.446 3.799 12.464 1.00 0.00 H new ATOM 0 HB2 ARG A 464 70.176 6.037 11.870 1.00 0.00 H new ATOM 0 HB3 ARG A 464 68.635 6.722 12.346 1.00 0.00 H new ATOM 0 HG2 ARG A 464 69.701 4.437 14.006 1.00 0.00 H new ATOM 0 HG3 ARG A 464 70.501 5.988 14.171 1.00 0.00 H new ATOM 0 HD2 ARG A 464 68.122 7.019 14.490 1.00 0.00 H new ATOM 0 HD3 ARG A 464 67.539 5.375 14.658 1.00 0.00 H new ATOM 0 HE ARG A 464 69.675 5.274 16.396 1.00 0.00 H new ATOM 0 HH11 ARG A 464 66.574 6.474 16.594 1.00 0.00 H new ATOM 0 HH12 ARG A 464 66.884 7.629 17.895 1.00 0.00 H new ATOM 0 HH21 ARG A 464 70.358 7.285 17.708 1.00 0.00 H new ATOM 0 HH22 ARG A 464 69.007 8.084 18.520 1.00 0.00 H new ATOM 889 N THR A 465 66.963 6.048 10.561 1.00 0.00 N ATOM 890 CA THR A 465 65.599 6.481 10.127 1.00 0.00 C ATOM 891 C THR A 465 64.783 5.271 9.662 1.00 0.00 C ATOM 892 O THR A 465 63.584 5.214 9.845 1.00 0.00 O ATOM 893 CB THR A 465 65.837 7.448 8.966 1.00 0.00 C ATOM 894 OG1 THR A 465 66.854 8.373 9.324 1.00 0.00 O ATOM 895 CG2 THR A 465 64.544 8.207 8.652 1.00 0.00 C ATOM 0 H THR A 465 67.733 6.599 10.181 1.00 0.00 H new ATOM 0 HA THR A 465 65.039 6.950 10.936 1.00 0.00 H new ATOM 0 HB THR A 465 66.147 6.886 8.085 1.00 0.00 H new ATOM 0 HG1 THR A 465 67.009 8.992 8.581 1.00 0.00 H new ATOM 0 HG21 THR A 465 64.718 8.895 7.824 1.00 0.00 H new ATOM 0 HG22 THR A 465 63.763 7.498 8.377 1.00 0.00 H new ATOM 0 HG23 THR A 465 64.230 8.769 9.531 1.00 0.00 H new ATOM 903 N LEU A 466 65.431 4.298 9.078 1.00 0.00 N ATOM 904 CA LEU A 466 64.697 3.084 8.621 1.00 0.00 C ATOM 905 C LEU A 466 64.170 2.329 9.840 1.00 0.00 C ATOM 906 O LEU A 466 63.049 1.859 9.856 1.00 0.00 O ATOM 907 CB LEU A 466 65.733 2.246 7.869 1.00 0.00 C ATOM 908 CG LEU A 466 65.047 1.040 7.226 1.00 0.00 C ATOM 909 CD1 LEU A 466 65.696 0.744 5.871 1.00 0.00 C ATOM 910 CD2 LEU A 466 65.197 -0.178 8.139 1.00 0.00 C ATOM 0 H LEU A 466 66.435 4.292 8.898 1.00 0.00 H new ATOM 0 HA LEU A 466 63.843 3.320 7.986 1.00 0.00 H new ATOM 0 HB2 LEU A 466 66.219 2.851 7.104 1.00 0.00 H new ATOM 0 HB3 LEU A 466 66.512 1.912 8.554 1.00 0.00 H new ATOM 0 HG LEU A 466 63.989 1.259 7.082 1.00 0.00 H new ATOM 0 HD11 LEU A 466 65.207 -0.116 5.413 1.00 0.00 H new ATOM 0 HD12 LEU A 466 65.590 1.611 5.220 1.00 0.00 H new ATOM 0 HD13 LEU A 466 66.754 0.525 6.014 1.00 0.00 H new ATOM 0 HD21 LEU A 466 64.708 -1.038 7.681 1.00 0.00 H new ATOM 0 HD22 LEU A 466 66.255 -0.396 8.284 1.00 0.00 H new ATOM 0 HD23 LEU A 466 64.735 0.031 9.104 1.00 0.00 H new ATOM 922 N ILE A 467 64.965 2.233 10.875 1.00 0.00 N ATOM 923 CA ILE A 467 64.500 1.534 12.107 1.00 0.00 C ATOM 924 C ILE A 467 63.374 2.353 12.729 1.00 0.00 C ATOM 925 O ILE A 467 62.324 1.847 13.074 1.00 0.00 O ATOM 926 CB ILE A 467 65.736 1.484 13.029 1.00 0.00 C ATOM 927 CG1 ILE A 467 65.858 0.082 13.632 1.00 0.00 C ATOM 928 CG2 ILE A 467 65.622 2.516 14.166 1.00 0.00 C ATOM 929 CD1 ILE A 467 67.336 -0.265 13.822 1.00 0.00 C ATOM 0 H ILE A 467 65.913 2.608 10.919 1.00 0.00 H new ATOM 0 HA ILE A 467 64.114 0.531 11.923 1.00 0.00 H new ATOM 0 HB ILE A 467 66.619 1.721 12.435 1.00 0.00 H new ATOM 0 HG12 ILE A 467 65.338 0.040 14.589 1.00 0.00 H new ATOM 0 HG13 ILE A 467 65.383 -0.649 12.978 1.00 0.00 H new ATOM 0 HG21 ILE A 467 66.507 2.458 14.800 1.00 0.00 H new ATOM 0 HG22 ILE A 467 65.544 3.517 13.742 1.00 0.00 H new ATOM 0 HG23 ILE A 467 64.734 2.304 14.762 1.00 0.00 H new ATOM 0 HD11 ILE A 467 67.423 -1.263 14.251 1.00 0.00 H new ATOM 0 HD12 ILE A 467 67.843 -0.239 12.857 1.00 0.00 H new ATOM 0 HD13 ILE A 467 67.797 0.460 14.493 1.00 0.00 H new ATOM 941 N HIS A 468 63.602 3.629 12.858 1.00 0.00 N ATOM 942 CA HIS A 468 62.575 4.526 13.444 1.00 0.00 C ATOM 943 C HIS A 468 61.298 4.435 12.608 1.00 0.00 C ATOM 944 O HIS A 468 60.202 4.348 13.126 1.00 0.00 O ATOM 945 CB HIS A 468 63.207 5.922 13.355 1.00 0.00 C ATOM 946 CG HIS A 468 62.176 6.971 13.648 1.00 0.00 C ATOM 947 ND1 HIS A 468 62.295 7.869 14.696 1.00 0.00 N ATOM 948 CD2 HIS A 468 61.002 7.272 13.024 1.00 0.00 C ATOM 949 CE1 HIS A 468 61.210 8.665 14.668 1.00 0.00 C ATOM 950 NE2 HIS A 468 60.387 8.343 13.665 1.00 0.00 N ATOM 0 H HIS A 468 64.467 4.092 12.578 1.00 0.00 H new ATOM 0 HA HIS A 468 62.300 4.274 14.468 1.00 0.00 H new ATOM 0 HB2 HIS A 468 64.032 6.003 14.063 1.00 0.00 H new ATOM 0 HB3 HIS A 468 63.625 6.078 12.360 1.00 0.00 H new ATOM 0 HD2 HIS A 468 60.608 6.756 12.161 1.00 0.00 H new ATOM 0 HE1 HIS A 468 61.027 9.465 15.370 1.00 0.00 H new ATOM 0 HE2 HIS A 468 59.501 8.786 13.422 1.00 0.00 H new ATOM 958 N LEU A 469 61.446 4.450 11.314 1.00 0.00 N ATOM 959 CA LEU A 469 60.259 4.360 10.416 1.00 0.00 C ATOM 960 C LEU A 469 59.484 3.066 10.681 1.00 0.00 C ATOM 961 O LEU A 469 58.320 2.951 10.349 1.00 0.00 O ATOM 962 CB LEU A 469 60.842 4.362 9.001 1.00 0.00 C ATOM 963 CG LEU A 469 60.740 5.769 8.413 1.00 0.00 C ATOM 964 CD1 LEU A 469 61.625 5.871 7.171 1.00 0.00 C ATOM 965 CD2 LEU A 469 59.285 6.056 8.031 1.00 0.00 C ATOM 0 H LEU A 469 62.344 4.521 10.835 1.00 0.00 H new ATOM 0 HA LEU A 469 59.557 5.179 10.572 1.00 0.00 H new ATOM 0 HB2 LEU A 469 61.883 4.040 9.024 1.00 0.00 H new ATOM 0 HB3 LEU A 469 60.303 3.653 8.373 1.00 0.00 H new ATOM 0 HG LEU A 469 61.072 6.497 9.153 1.00 0.00 H new ATOM 0 HD11 LEU A 469 61.551 6.875 6.753 1.00 0.00 H new ATOM 0 HD12 LEU A 469 62.660 5.667 7.444 1.00 0.00 H new ATOM 0 HD13 LEU A 469 61.296 5.144 6.429 1.00 0.00 H new ATOM 0 HD21 LEU A 469 59.210 7.059 7.611 1.00 0.00 H new ATOM 0 HD22 LEU A 469 58.953 5.328 7.291 1.00 0.00 H new ATOM 0 HD23 LEU A 469 58.655 5.986 8.918 1.00 0.00 H new ATOM 977 N SER A 470 60.118 2.091 11.281 1.00 0.00 N ATOM 978 CA SER A 470 59.412 0.808 11.569 1.00 0.00 C ATOM 979 C SER A 470 58.683 0.895 12.914 1.00 0.00 C ATOM 980 O SER A 470 57.777 0.133 13.188 1.00 0.00 O ATOM 981 CB SER A 470 60.515 -0.249 11.625 1.00 0.00 C ATOM 982 OG SER A 470 60.039 -1.454 11.041 1.00 0.00 O ATOM 0 H SER A 470 61.092 2.128 11.583 1.00 0.00 H new ATOM 0 HA SER A 470 58.661 0.573 10.815 1.00 0.00 H new ATOM 0 HB2 SER A 470 61.399 0.102 11.093 1.00 0.00 H new ATOM 0 HB3 SER A 470 60.814 -0.425 12.658 1.00 0.00 H new ATOM 0 HG SER A 470 60.744 -2.134 11.073 1.00 0.00 H new ATOM 988 N GLU A 471 59.073 1.818 13.754 1.00 0.00 N ATOM 989 CA GLU A 471 58.404 1.953 15.081 1.00 0.00 C ATOM 990 C GLU A 471 57.535 3.213 15.113 1.00 0.00 C ATOM 991 O GLU A 471 56.561 3.289 15.838 1.00 0.00 O ATOM 992 CB GLU A 471 59.547 2.067 16.090 1.00 0.00 C ATOM 993 CG GLU A 471 59.002 1.871 17.506 1.00 0.00 C ATOM 994 CD GLU A 471 59.058 0.387 17.873 1.00 0.00 C ATOM 995 OE1 GLU A 471 60.083 -0.226 17.623 1.00 0.00 O ATOM 996 OE2 GLU A 471 58.075 -0.110 18.399 1.00 0.00 O ATOM 0 H GLU A 471 59.826 2.484 13.578 1.00 0.00 H new ATOM 0 HA GLU A 471 57.748 1.110 15.299 1.00 0.00 H new ATOM 0 HB2 GLU A 471 60.310 1.319 15.876 1.00 0.00 H new ATOM 0 HB3 GLU A 471 60.025 3.043 16.005 1.00 0.00 H new ATOM 0 HG2 GLU A 471 59.587 2.455 18.216 1.00 0.00 H new ATOM 0 HG3 GLU A 471 57.976 2.233 17.565 1.00 0.00 H new ATOM 1003 N GLY A 472 57.881 4.204 14.334 1.00 0.00 N ATOM 1004 CA GLY A 472 57.076 5.461 14.320 1.00 0.00 C ATOM 1005 C GLY A 472 55.955 5.340 13.287 1.00 0.00 C ATOM 1006 O GLY A 472 54.846 5.787 13.507 1.00 0.00 O ATOM 0 H GLY A 472 58.686 4.197 13.707 1.00 0.00 H new ATOM 0 HA2 GLY A 472 56.655 5.646 15.308 1.00 0.00 H new ATOM 0 HA3 GLY A 472 57.715 6.311 14.081 1.00 0.00 H new ATOM 1010 N SER A 473 56.234 4.739 12.160 1.00 0.00 N ATOM 1011 CA SER A 473 55.187 4.585 11.104 1.00 0.00 C ATOM 1012 C SER A 473 54.568 5.945 10.765 1.00 0.00 C ATOM 1013 O SER A 473 53.375 6.061 10.557 1.00 0.00 O ATOM 1014 CB SER A 473 54.138 3.651 11.712 1.00 0.00 C ATOM 1015 OG SER A 473 53.888 2.578 10.813 1.00 0.00 O ATOM 0 H SER A 473 57.145 4.346 11.924 1.00 0.00 H new ATOM 0 HA SER A 473 55.596 4.185 10.176 1.00 0.00 H new ATOM 0 HB2 SER A 473 54.489 3.265 12.669 1.00 0.00 H new ATOM 0 HB3 SER A 473 53.216 4.199 11.908 1.00 0.00 H new ATOM 0 HG SER A 473 53.218 1.977 11.200 1.00 0.00 H new ATOM 1021 N ASN A 474 55.370 6.974 10.708 1.00 0.00 N ATOM 1022 CA ASN A 474 54.833 8.328 10.383 1.00 0.00 C ATOM 1023 C ASN A 474 54.417 8.393 8.911 1.00 0.00 C ATOM 1024 O ASN A 474 54.546 7.434 8.176 1.00 0.00 O ATOM 1025 CB ASN A 474 55.989 9.291 10.656 1.00 0.00 C ATOM 1026 CG ASN A 474 55.436 10.686 10.952 1.00 0.00 C ATOM 1027 OD1 ASN A 474 54.331 11.009 10.564 1.00 0.00 O ATOM 1028 ND2 ASN A 474 56.163 11.533 11.627 1.00 0.00 N ATOM 0 H ASN A 474 56.376 6.936 10.873 1.00 0.00 H new ATOM 0 HA ASN A 474 53.951 8.574 10.974 1.00 0.00 H new ATOM 0 HB2 ASN A 474 56.579 8.936 11.501 1.00 0.00 H new ATOM 0 HB3 ASN A 474 56.656 9.328 9.794 1.00 0.00 H new ATOM 0 HD21 ASN A 474 55.804 12.466 11.829 1.00 0.00 H new ATOM 0 HD22 ASN A 474 57.091 11.262 11.953 1.00 0.00 H new ATOM 1035 N LYS A 475 53.917 9.519 8.476 1.00 0.00 N ATOM 1036 CA LYS A 475 53.492 9.651 7.051 1.00 0.00 C ATOM 1037 C LYS A 475 54.719 9.786 6.143 1.00 0.00 C ATOM 1038 O LYS A 475 54.904 10.788 5.480 1.00 0.00 O ATOM 1039 CB LYS A 475 52.645 10.924 7.005 1.00 0.00 C ATOM 1040 CG LYS A 475 51.326 10.689 7.744 1.00 0.00 C ATOM 1041 CD LYS A 475 50.883 11.986 8.428 1.00 0.00 C ATOM 1042 CE LYS A 475 49.366 12.141 8.298 1.00 0.00 C ATOM 1043 NZ LYS A 475 49.127 13.612 8.314 1.00 0.00 N ATOM 0 H LYS A 475 53.784 10.354 9.046 1.00 0.00 H new ATOM 0 HA LYS A 475 52.936 8.780 6.704 1.00 0.00 H new ATOM 0 HB2 LYS A 475 53.188 11.751 7.463 1.00 0.00 H new ATOM 0 HB3 LYS A 475 52.449 11.205 5.970 1.00 0.00 H new ATOM 0 HG2 LYS A 475 50.560 10.355 7.044 1.00 0.00 H new ATOM 0 HG3 LYS A 475 51.448 9.899 8.485 1.00 0.00 H new ATOM 0 HD2 LYS A 475 51.169 11.971 9.480 1.00 0.00 H new ATOM 0 HD3 LYS A 475 51.386 12.839 7.974 1.00 0.00 H new ATOM 0 HE2 LYS A 475 49.001 11.692 7.375 1.00 0.00 H new ATOM 0 HE3 LYS A 475 48.847 11.648 9.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 48.108 13.799 8.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 49.479 14.011 9.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 49.628 14.054 7.517 1.00 0.00 H new ATOM 1057 N TYR A 476 55.556 8.784 6.109 1.00 0.00 N ATOM 1058 CA TYR A 476 56.771 8.851 5.244 1.00 0.00 C ATOM 1059 C TYR A 476 56.375 8.851 3.767 1.00 0.00 C ATOM 1060 O TYR A 476 55.501 8.117 3.347 1.00 0.00 O ATOM 1061 CB TYR A 476 57.575 7.595 5.584 1.00 0.00 C ATOM 1062 CG TYR A 476 58.921 7.675 4.909 1.00 0.00 C ATOM 1063 CD1 TYR A 476 59.016 7.501 3.525 1.00 0.00 C ATOM 1064 CD2 TYR A 476 60.071 7.932 5.664 1.00 0.00 C ATOM 1065 CE1 TYR A 476 60.260 7.583 2.895 1.00 0.00 C ATOM 1066 CE2 TYR A 476 61.319 8.012 5.033 1.00 0.00 C ATOM 1067 CZ TYR A 476 61.413 7.837 3.647 1.00 0.00 C ATOM 1068 OH TYR A 476 62.640 7.918 3.023 1.00 0.00 O ATOM 0 H TYR A 476 55.451 7.921 6.643 1.00 0.00 H new ATOM 0 HA TYR A 476 57.346 9.761 5.417 1.00 0.00 H new ATOM 0 HB2 TYR A 476 57.700 7.509 6.663 1.00 0.00 H new ATOM 0 HB3 TYR A 476 57.040 6.705 5.253 1.00 0.00 H new ATOM 0 HD1 TYR A 476 58.128 7.303 2.943 1.00 0.00 H new ATOM 0 HD2 TYR A 476 59.996 8.069 6.733 1.00 0.00 H new ATOM 0 HE1 TYR A 476 60.332 7.450 1.826 1.00 0.00 H new ATOM 0 HE2 TYR A 476 62.207 8.208 5.615 1.00 0.00 H new ATOM 0 HH TYR A 476 62.748 8.808 2.627 1.00 0.00 H new ATOM 1078 N TYR A 477 57.017 9.669 2.975 1.00 0.00 N ATOM 1079 CA TYR A 477 56.688 9.720 1.521 1.00 0.00 C ATOM 1080 C TYR A 477 57.847 9.145 0.702 1.00 0.00 C ATOM 1081 O TYR A 477 59.000 9.282 1.060 1.00 0.00 O ATOM 1082 CB TYR A 477 56.499 11.204 1.209 1.00 0.00 C ATOM 1083 CG TYR A 477 55.173 11.671 1.761 1.00 0.00 C ATOM 1084 CD1 TYR A 477 53.985 11.355 1.089 1.00 0.00 C ATOM 1085 CD2 TYR A 477 55.131 12.421 2.942 1.00 0.00 C ATOM 1086 CE1 TYR A 477 52.756 11.789 1.599 1.00 0.00 C ATOM 1087 CE2 TYR A 477 53.902 12.854 3.453 1.00 0.00 C ATOM 1088 CZ TYR A 477 52.714 12.538 2.782 1.00 0.00 C ATOM 1089 OH TYR A 477 51.502 12.966 3.285 1.00 0.00 O ATOM 0 H TYR A 477 57.756 10.305 3.274 1.00 0.00 H new ATOM 0 HA TYR A 477 55.801 9.136 1.276 1.00 0.00 H new ATOM 0 HB2 TYR A 477 57.311 11.785 1.646 1.00 0.00 H new ATOM 0 HB3 TYR A 477 56.534 11.367 0.132 1.00 0.00 H new ATOM 0 HD1 TYR A 477 54.018 10.777 0.178 1.00 0.00 H new ATOM 0 HD2 TYR A 477 56.047 12.666 3.459 1.00 0.00 H new ATOM 0 HE1 TYR A 477 51.840 11.546 1.081 1.00 0.00 H new ATOM 0 HE2 TYR A 477 53.870 13.432 4.365 1.00 0.00 H new ATOM 0 HH TYR A 477 51.651 13.471 4.111 1.00 0.00 H new ATOM 1099 N CYS A 478 57.549 8.505 -0.395 1.00 0.00 N ATOM 1100 CA CYS A 478 58.632 7.923 -1.238 1.00 0.00 C ATOM 1101 C CYS A 478 59.390 9.048 -1.957 1.00 0.00 C ATOM 1102 O CYS A 478 59.278 10.206 -1.602 1.00 0.00 O ATOM 1103 CB CYS A 478 57.909 6.994 -2.230 1.00 0.00 C ATOM 1104 SG CYS A 478 57.295 7.935 -3.650 1.00 0.00 S ATOM 0 H CYS A 478 56.602 8.360 -0.745 1.00 0.00 H new ATOM 0 HA CYS A 478 59.375 7.374 -0.659 1.00 0.00 H new ATOM 0 HB2 CYS A 478 58.591 6.215 -2.570 1.00 0.00 H new ATOM 0 HB3 CYS A 478 57.079 6.495 -1.731 1.00 0.00 H new ATOM 0 HG CYS A 478 56.014 7.748 -3.773 1.00 0.00 H new ATOM 1109 N ASN A 479 60.160 8.721 -2.961 1.00 0.00 N ATOM 1110 CA ASN A 479 60.920 9.777 -3.692 1.00 0.00 C ATOM 1111 C ASN A 479 60.101 10.308 -4.874 1.00 0.00 C ATOM 1112 O ASN A 479 60.162 11.476 -5.207 1.00 0.00 O ATOM 1113 CB ASN A 479 62.189 9.081 -4.186 1.00 0.00 C ATOM 1114 CG ASN A 479 63.073 10.089 -4.922 1.00 0.00 C ATOM 1115 OD1 ASN A 479 63.322 11.172 -4.428 1.00 0.00 O ATOM 1116 ND2 ASN A 479 63.562 9.779 -6.092 1.00 0.00 N ATOM 0 H ASN A 479 60.295 7.771 -3.306 1.00 0.00 H new ATOM 0 HA ASN A 479 61.144 10.634 -3.057 1.00 0.00 H new ATOM 0 HB2 ASN A 479 62.732 8.652 -3.344 1.00 0.00 H new ATOM 0 HB3 ASN A 479 61.929 8.257 -4.850 1.00 0.00 H new ATOM 0 HD21 ASN A 479 64.152 10.445 -6.591 1.00 0.00 H new ATOM 0 HD22 ASN A 479 63.354 8.871 -6.507 1.00 0.00 H new ATOM 1123 N GLU A 480 59.342 9.459 -5.516 1.00 0.00 N ATOM 1124 CA GLU A 480 58.525 9.913 -6.681 1.00 0.00 C ATOM 1125 C GLU A 480 57.255 10.641 -6.215 1.00 0.00 C ATOM 1126 O GLU A 480 56.450 11.066 -7.020 1.00 0.00 O ATOM 1127 CB GLU A 480 58.160 8.632 -7.431 1.00 0.00 C ATOM 1128 CG GLU A 480 57.925 8.953 -8.909 1.00 0.00 C ATOM 1129 CD GLU A 480 57.223 7.774 -9.583 1.00 0.00 C ATOM 1130 OE1 GLU A 480 57.573 6.647 -9.275 1.00 0.00 O ATOM 1131 OE2 GLU A 480 56.347 8.018 -10.396 1.00 0.00 O ATOM 0 H GLU A 480 59.252 8.470 -5.284 1.00 0.00 H new ATOM 0 HA GLU A 480 59.072 10.618 -7.307 1.00 0.00 H new ATOM 0 HB2 GLU A 480 58.960 7.899 -7.330 1.00 0.00 H new ATOM 0 HB3 GLU A 480 57.264 8.187 -6.998 1.00 0.00 H new ATOM 0 HG2 GLU A 480 57.318 9.854 -9.004 1.00 0.00 H new ATOM 0 HG3 GLU A 480 58.875 9.155 -9.404 1.00 0.00 H new ATOM 1138 N HIS A 481 57.068 10.791 -4.929 1.00 0.00 N ATOM 1139 CA HIS A 481 55.850 11.495 -4.431 1.00 0.00 C ATOM 1140 C HIS A 481 56.224 12.502 -3.337 1.00 0.00 C ATOM 1141 O HIS A 481 55.373 12.998 -2.624 1.00 0.00 O ATOM 1142 CB HIS A 481 54.959 10.391 -3.858 1.00 0.00 C ATOM 1143 CG HIS A 481 54.500 9.483 -4.966 1.00 0.00 C ATOM 1144 ND1 HIS A 481 54.528 8.086 -4.848 1.00 0.00 N ATOM 1145 CD2 HIS A 481 54.001 9.744 -6.223 1.00 0.00 C ATOM 1146 CE1 HIS A 481 54.062 7.570 -6.002 1.00 0.00 C ATOM 1147 NE2 HIS A 481 53.737 8.539 -6.843 1.00 0.00 N ATOM 0 H HIS A 481 57.704 10.457 -4.205 1.00 0.00 H new ATOM 0 HA HIS A 481 55.350 12.056 -5.220 1.00 0.00 H new ATOM 0 HB2 HIS A 481 55.508 9.819 -3.110 1.00 0.00 H new ATOM 0 HB3 HIS A 481 54.098 10.830 -3.354 1.00 0.00 H new ATOM 0 HD2 HIS A 481 53.843 10.723 -6.650 1.00 0.00 H new ATOM 0 HE1 HIS A 481 53.967 6.515 -6.211 1.00 0.00 H new ATOM 0 HE2 HIS A 481 53.359 8.417 -7.782 1.00 0.00 H new ATOM 1155 N VAL A 482 57.487 12.810 -3.198 1.00 0.00 N ATOM 1156 CA VAL A 482 57.908 13.785 -2.150 1.00 0.00 C ATOM 1157 C VAL A 482 57.716 15.215 -2.652 1.00 0.00 C ATOM 1158 O VAL A 482 57.464 16.129 -1.891 1.00 0.00 O ATOM 1159 CB VAL A 482 59.390 13.489 -1.900 1.00 0.00 C ATOM 1160 CG1 VAL A 482 60.217 13.866 -3.133 1.00 0.00 C ATOM 1161 CG2 VAL A 482 59.875 14.298 -0.696 1.00 0.00 C ATOM 0 H VAL A 482 58.244 12.429 -3.765 1.00 0.00 H new ATOM 0 HA VAL A 482 57.319 13.691 -1.237 1.00 0.00 H new ATOM 0 HB VAL A 482 59.511 12.424 -1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 482 61.269 13.652 -2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 482 59.876 13.286 -3.991 1.00 0.00 H new ATOM 0 HG13 VAL A 482 60.095 14.929 -3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 482 60.930 14.088 -0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 482 59.746 15.362 -0.896 1.00 0.00 H new ATOM 0 HG23 VAL A 482 59.296 14.022 0.185 1.00 0.00 H new ATOM 1171 N GLN A 483 57.831 15.405 -3.931 1.00 0.00 N ATOM 1172 CA GLN A 483 57.656 16.767 -4.512 1.00 0.00 C ATOM 1173 C GLN A 483 56.400 16.812 -5.384 1.00 0.00 C ATOM 1174 O GLN A 483 55.388 17.360 -4.996 1.00 0.00 O ATOM 1175 CB GLN A 483 58.908 17.000 -5.359 1.00 0.00 C ATOM 1176 CG GLN A 483 60.034 17.536 -4.471 1.00 0.00 C ATOM 1177 CD GLN A 483 60.985 18.389 -5.312 1.00 0.00 C ATOM 1178 OE1 GLN A 483 61.180 19.555 -5.035 1.00 0.00 O ATOM 1179 NE2 GLN A 483 61.589 17.852 -6.337 1.00 0.00 N ATOM 0 H GLN A 483 58.040 14.672 -4.608 1.00 0.00 H new ATOM 0 HA GLN A 483 57.536 17.532 -3.745 1.00 0.00 H new ATOM 0 HB2 GLN A 483 59.217 16.069 -5.834 1.00 0.00 H new ATOM 0 HB3 GLN A 483 58.692 17.709 -6.158 1.00 0.00 H new ATOM 0 HG2 GLN A 483 59.618 18.131 -3.658 1.00 0.00 H new ATOM 0 HG3 GLN A 483 60.577 16.708 -4.015 1.00 0.00 H new ATOM 0 HE21 GLN A 483 61.425 16.873 -6.570 1.00 0.00 H new ATOM 0 HE22 GLN A 483 62.225 18.412 -6.905 1.00 0.00 H new