USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 465 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 483 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 486 THR OG1 : rot -149:sc= 0.332 USER MOD Set 2.1: A 460 CYS SG : rot 128:sc= 0.298 USER MOD Set 2.2: A 469 CYS SG : rot 119:sc= -4.02! USER MOD Set 2.3: A 471 ASN : amide:sc= -4.89! C(o=-7.1!,f=-14!) USER MOD Set 2.4: A 475 CYS SG : rot 123:sc= 1.68 USER MOD Set 2.5: A 479 HIS : no HD1:sc= -0.195 K(o=-7.1,f=-7.6) USER MOD Set 3.1: A 440 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 476 MET CE :methyl 150:sc= -6.2! (180deg=-10.3!) USER MOD Set 4.1: A 437 CYS SG : rot 123:sc= 1.27 USER MOD Set 4.2: A 445 CYS SG : rot -81:sc= 1.18 USER MOD Set 4.3: A 451 CYS SG : rot -166:sc= 0.919 USER MOD Set 4.4: A 455 HIS : no HE2:sc= 0.222 K(o=3.6,f=-1.2) USER MOD Set 5.1: A 433 LYS NZ :NH3+ -152:sc= -0.0319 (180deg=-0.291) USER MOD Set 5.2: A 453 TYR OH : rot 180:sc= 0 USER MOD Single : A 438 LYS NZ :NH3+ 154:sc= -0.0466 (180deg=-0.551) USER MOD Single : A 442 THR OG1 : rot -5:sc= 0.42 USER MOD Single : A 450 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 454 MET CE :methyl -161:sc= -0.0996 (180deg=-0.485) USER MOD Single : A 461 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 463 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 HIS : no HE2:sc= -6.82! C(o=-6.8!,f=-6.8!) USER MOD Single : A 465 THR OG1 : rot -36:sc= 0.185 USER MOD Single : A 466 THR OG1 : rot 180:sc= 0 USER MOD Single : A 468 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 478 SER OG : rot 98:sc= 0.128 USER MOD Single : A 492 LYS NZ :NH3+ 161:sc= -0.0414 (180deg=-0.369) USER MOD Single : A 493 MET CE :methyl 143:sc= 0 (180deg=-0.785) USER MOD ----------------------------------------------------------------- ATOM 136 N LYS A 433 9.707 -10.909 -11.889 1.00 0.00 N ATOM 137 CA LYS A 433 9.878 -9.576 -11.322 1.00 0.00 C ATOM 138 C LYS A 433 9.467 -9.553 -9.853 1.00 0.00 C ATOM 139 O LYS A 433 8.431 -10.103 -9.480 1.00 0.00 O ATOM 140 CB LYS A 433 9.053 -8.555 -12.110 1.00 0.00 C ATOM 141 CG LYS A 433 9.815 -7.913 -13.257 1.00 0.00 C ATOM 142 CD LYS A 433 8.877 -7.454 -14.360 1.00 0.00 C ATOM 143 CE LYS A 433 9.543 -6.432 -15.269 1.00 0.00 C ATOM 144 NZ LYS A 433 9.766 -5.134 -14.574 1.00 0.00 N ATOM 0 HA LYS A 433 10.933 -9.312 -11.390 1.00 0.00 H new ATOM 0 HB2 LYS A 433 8.164 -9.046 -12.505 1.00 0.00 H new ATOM 0 HB3 LYS A 433 8.711 -7.775 -11.430 1.00 0.00 H new ATOM 0 HG2 LYS A 433 10.385 -7.062 -12.885 1.00 0.00 H new ATOM 0 HG3 LYS A 433 10.534 -8.626 -13.662 1.00 0.00 H new ATOM 0 HD2 LYS A 433 8.559 -8.314 -14.949 1.00 0.00 H new ATOM 0 HD3 LYS A 433 7.980 -7.020 -13.919 1.00 0.00 H new ATOM 0 HE2 LYS A 433 10.497 -6.825 -15.619 1.00 0.00 H new ATOM 0 HE3 LYS A 433 8.922 -6.270 -16.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 9.760 -4.362 -15.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 9.009 -4.978 -13.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 10.685 -5.154 -14.087 1.00 0.00 H new ATOM 158 N ARG A 434 10.284 -8.911 -9.025 1.00 0.00 N ATOM 159 CA ARG A 434 10.005 -8.816 -7.597 1.00 0.00 C ATOM 160 C ARG A 434 9.610 -7.393 -7.214 1.00 0.00 C ATOM 161 O ARG A 434 10.006 -6.891 -6.163 1.00 0.00 O ATOM 162 CB ARG A 434 11.227 -9.253 -6.787 1.00 0.00 C ATOM 163 CG ARG A 434 11.568 -10.725 -6.946 1.00 0.00 C ATOM 164 CD ARG A 434 10.806 -11.584 -5.949 1.00 0.00 C ATOM 165 NE ARG A 434 11.262 -11.367 -4.578 1.00 0.00 N ATOM 166 CZ ARG A 434 12.301 -11.997 -4.041 1.00 0.00 C ATOM 167 NH1 ARG A 434 12.988 -12.878 -4.754 1.00 0.00 N ATOM 168 NH2 ARG A 434 12.654 -11.745 -2.787 1.00 0.00 N ATOM 0 H ARG A 434 11.145 -8.449 -9.318 1.00 0.00 H new ATOM 0 HA ARG A 434 9.171 -9.480 -7.370 1.00 0.00 H new ATOM 0 HB2 ARG A 434 12.086 -8.655 -7.090 1.00 0.00 H new ATOM 0 HB3 ARG A 434 11.048 -9.042 -5.733 1.00 0.00 H new ATOM 0 HG2 ARG A 434 11.332 -11.047 -7.960 1.00 0.00 H new ATOM 0 HG3 ARG A 434 12.640 -10.868 -6.807 1.00 0.00 H new ATOM 0 HD2 ARG A 434 9.741 -11.360 -6.017 1.00 0.00 H new ATOM 0 HD3 ARG A 434 10.927 -12.635 -6.209 1.00 0.00 H new ATOM 0 HE ARG A 434 10.755 -10.695 -4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 434 12.720 -13.074 -5.718 1.00 0.00 H new ATOM 0 HH12 ARG A 434 13.785 -13.360 -4.338 1.00 0.00 H new ATOM 0 HH21 ARG A 434 12.128 -11.068 -2.235 1.00 0.00 H new ATOM 0 HH22 ARG A 434 13.452 -12.229 -2.375 1.00 0.00 H new ATOM 182 N GLU A 435 8.827 -6.749 -8.075 1.00 0.00 N ATOM 183 CA GLU A 435 8.380 -5.384 -7.827 1.00 0.00 C ATOM 184 C GLU A 435 6.875 -5.341 -7.577 1.00 0.00 C ATOM 185 O GLU A 435 6.126 -6.176 -8.086 1.00 0.00 O ATOM 186 CB GLU A 435 8.738 -4.483 -9.010 1.00 0.00 C ATOM 187 CG GLU A 435 10.232 -4.258 -9.174 1.00 0.00 C ATOM 188 CD GLU A 435 10.980 -5.533 -9.513 1.00 0.00 C ATOM 189 OE1 GLU A 435 10.924 -5.961 -10.684 1.00 0.00 O ATOM 190 OE2 GLU A 435 11.622 -6.102 -8.605 1.00 0.00 O ATOM 0 H GLU A 435 8.490 -7.151 -8.950 1.00 0.00 H new ATOM 0 HA GLU A 435 8.889 -5.019 -6.935 1.00 0.00 H new ATOM 0 HB2 GLU A 435 8.343 -4.925 -9.925 1.00 0.00 H new ATOM 0 HB3 GLU A 435 8.246 -3.519 -8.883 1.00 0.00 H new ATOM 0 HG2 GLU A 435 10.401 -3.522 -9.960 1.00 0.00 H new ATOM 0 HG3 GLU A 435 10.636 -3.838 -8.253 1.00 0.00 H new ATOM 197 N LEU A 436 6.440 -4.362 -6.792 1.00 0.00 N ATOM 198 CA LEU A 436 5.024 -4.209 -6.474 1.00 0.00 C ATOM 199 C LEU A 436 4.214 -3.903 -7.729 1.00 0.00 C ATOM 200 O LEU A 436 4.495 -2.940 -8.443 1.00 0.00 O ATOM 201 CB LEU A 436 4.830 -3.095 -5.443 1.00 0.00 C ATOM 202 CG LEU A 436 3.383 -2.765 -5.077 1.00 0.00 C ATOM 203 CD1 LEU A 436 2.839 -3.779 -4.082 1.00 0.00 C ATOM 204 CD2 LEU A 436 3.285 -1.355 -4.512 1.00 0.00 C ATOM 0 H LEU A 436 7.047 -3.662 -6.364 1.00 0.00 H new ATOM 0 HA LEU A 436 4.667 -5.150 -6.055 1.00 0.00 H new ATOM 0 HB2 LEU A 436 5.360 -3.374 -4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 436 5.303 -2.189 -5.822 1.00 0.00 H new ATOM 0 HG LEU A 436 2.778 -2.816 -5.983 1.00 0.00 H new ATOM 0 HD11 LEU A 436 1.808 -3.528 -3.833 1.00 0.00 H new ATOM 0 HD12 LEU A 436 2.874 -4.775 -4.522 1.00 0.00 H new ATOM 0 HD13 LEU A 436 3.445 -3.761 -3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 436 2.248 -1.137 -4.257 1.00 0.00 H new ATOM 0 HD22 LEU A 436 3.903 -1.278 -3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 436 3.634 -0.640 -5.257 1.00 0.00 H new ATOM 216 N CYS A 437 3.206 -4.728 -7.992 1.00 0.00 N ATOM 217 CA CYS A 437 2.352 -4.545 -9.160 1.00 0.00 C ATOM 218 C CYS A 437 1.510 -3.279 -9.026 1.00 0.00 C ATOM 219 O CYS A 437 0.999 -2.971 -7.949 1.00 0.00 O ATOM 220 CB CYS A 437 1.441 -5.760 -9.347 1.00 0.00 C ATOM 221 SG CYS A 437 0.492 -5.745 -10.901 1.00 0.00 S ATOM 0 H CYS A 437 2.960 -5.530 -7.412 1.00 0.00 H new ATOM 0 HA CYS A 437 2.993 -4.442 -10.035 1.00 0.00 H new ATOM 0 HB2 CYS A 437 2.048 -6.665 -9.313 1.00 0.00 H new ATOM 0 HB3 CYS A 437 0.745 -5.812 -8.509 1.00 0.00 H new ATOM 0 HG CYS A 437 0.753 -6.823 -11.579 1.00 0.00 H new ATOM 226 N LYS A 438 1.370 -2.550 -10.127 1.00 0.00 N ATOM 227 CA LYS A 438 0.589 -1.318 -10.135 1.00 0.00 C ATOM 228 C LYS A 438 -0.903 -1.621 -10.225 1.00 0.00 C ATOM 229 O LYS A 438 -1.726 -0.711 -10.331 1.00 0.00 O ATOM 230 CB LYS A 438 1.012 -0.430 -11.307 1.00 0.00 C ATOM 231 CG LYS A 438 2.517 -0.349 -11.498 1.00 0.00 C ATOM 232 CD LYS A 438 2.930 0.973 -12.122 1.00 0.00 C ATOM 233 CE LYS A 438 2.555 1.035 -13.595 1.00 0.00 C ATOM 234 NZ LYS A 438 1.171 1.548 -13.794 1.00 0.00 N ATOM 0 H LYS A 438 1.787 -2.790 -11.026 1.00 0.00 H new ATOM 0 HA LYS A 438 0.779 -0.790 -9.200 1.00 0.00 H new ATOM 0 HB2 LYS A 438 0.558 -0.810 -12.222 1.00 0.00 H new ATOM 0 HB3 LYS A 438 0.620 0.575 -11.150 1.00 0.00 H new ATOM 0 HG2 LYS A 438 3.014 -0.469 -10.535 1.00 0.00 H new ATOM 0 HG3 LYS A 438 2.849 -1.171 -12.132 1.00 0.00 H new ATOM 0 HD2 LYS A 438 2.451 1.794 -11.589 1.00 0.00 H new ATOM 0 HD3 LYS A 438 4.006 1.107 -12.013 1.00 0.00 H new ATOM 0 HE2 LYS A 438 3.260 1.678 -14.122 1.00 0.00 H new ATOM 0 HE3 LYS A 438 2.640 0.041 -14.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 1.095 1.986 -14.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 0.495 0.761 -13.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 0.955 2.256 -13.064 1.00 0.00 H new ATOM 248 N PHE A 439 -1.246 -2.904 -10.181 1.00 0.00 N ATOM 249 CA PHE A 439 -2.640 -3.326 -10.257 1.00 0.00 C ATOM 250 C PHE A 439 -3.121 -3.858 -8.911 1.00 0.00 C ATOM 251 O PHE A 439 -4.135 -3.407 -8.379 1.00 0.00 O ATOM 252 CB PHE A 439 -2.811 -4.399 -11.334 1.00 0.00 C ATOM 253 CG PHE A 439 -2.437 -3.932 -12.711 1.00 0.00 C ATOM 254 CD1 PHE A 439 -2.893 -2.715 -13.192 1.00 0.00 C ATOM 255 CD2 PHE A 439 -1.629 -4.710 -13.525 1.00 0.00 C ATOM 256 CE1 PHE A 439 -2.550 -2.282 -14.459 1.00 0.00 C ATOM 257 CE2 PHE A 439 -1.282 -4.282 -14.793 1.00 0.00 C ATOM 258 CZ PHE A 439 -1.744 -3.067 -15.261 1.00 0.00 C ATOM 0 H PHE A 439 -0.578 -3.670 -10.093 1.00 0.00 H new ATOM 0 HA PHE A 439 -3.244 -2.457 -10.520 1.00 0.00 H new ATOM 0 HB2 PHE A 439 -2.200 -5.264 -11.074 1.00 0.00 H new ATOM 0 HB3 PHE A 439 -3.849 -4.732 -11.342 1.00 0.00 H new ATOM 0 HD1 PHE A 439 -3.524 -2.098 -12.570 1.00 0.00 H new ATOM 0 HD2 PHE A 439 -1.266 -5.661 -13.165 1.00 0.00 H new ATOM 0 HE1 PHE A 439 -2.912 -1.331 -14.822 1.00 0.00 H new ATOM 0 HE2 PHE A 439 -0.650 -4.897 -15.417 1.00 0.00 H new ATOM 0 HZ PHE A 439 -1.476 -2.731 -16.252 1.00 0.00 H new ATOM 268 N TYR A 440 -2.386 -4.821 -8.365 1.00 0.00 N ATOM 269 CA TYR A 440 -2.738 -5.418 -7.083 1.00 0.00 C ATOM 270 C TYR A 440 -3.074 -4.342 -6.055 1.00 0.00 C ATOM 271 O TYR A 440 -4.007 -4.493 -5.265 1.00 0.00 O ATOM 272 CB TYR A 440 -1.590 -6.289 -6.569 1.00 0.00 C ATOM 273 CG TYR A 440 -1.971 -7.163 -5.396 1.00 0.00 C ATOM 274 CD1 TYR A 440 -3.043 -8.043 -5.479 1.00 0.00 C ATOM 275 CD2 TYR A 440 -1.260 -7.109 -4.204 1.00 0.00 C ATOM 276 CE1 TYR A 440 -3.396 -8.843 -4.410 1.00 0.00 C ATOM 277 CE2 TYR A 440 -1.604 -7.907 -3.130 1.00 0.00 C ATOM 278 CZ TYR A 440 -2.673 -8.772 -3.238 1.00 0.00 C ATOM 279 OH TYR A 440 -3.020 -9.567 -2.169 1.00 0.00 O ATOM 0 H TYR A 440 -1.542 -5.205 -8.791 1.00 0.00 H new ATOM 0 HA TYR A 440 -3.620 -6.041 -7.232 1.00 0.00 H new ATOM 0 HB2 TYR A 440 -1.233 -6.922 -7.382 1.00 0.00 H new ATOM 0 HB3 TYR A 440 -0.760 -5.646 -6.277 1.00 0.00 H new ATOM 0 HD1 TYR A 440 -3.610 -8.103 -6.396 1.00 0.00 H new ATOM 0 HD2 TYR A 440 -0.424 -6.431 -4.115 1.00 0.00 H new ATOM 0 HE1 TYR A 440 -4.233 -9.520 -4.492 1.00 0.00 H new ATOM 0 HE2 TYR A 440 -1.039 -7.854 -2.211 1.00 0.00 H new ATOM 0 HH TYR A 440 -2.409 -9.395 -1.422 1.00 0.00 H new ATOM 289 N ILE A 441 -2.308 -3.257 -6.072 1.00 0.00 N ATOM 290 CA ILE A 441 -2.525 -2.154 -5.143 1.00 0.00 C ATOM 291 C ILE A 441 -4.013 -1.876 -4.959 1.00 0.00 C ATOM 292 O ILE A 441 -4.466 -1.567 -3.856 1.00 0.00 O ATOM 293 CB ILE A 441 -1.830 -0.868 -5.625 1.00 0.00 C ATOM 294 CG1 ILE A 441 -0.323 -1.095 -5.758 1.00 0.00 C ATOM 295 CG2 ILE A 441 -2.115 0.279 -4.667 1.00 0.00 C ATOM 296 CD1 ILE A 441 0.365 -0.084 -6.648 1.00 0.00 C ATOM 0 H ILE A 441 -1.532 -3.118 -6.719 1.00 0.00 H new ATOM 0 HA ILE A 441 -2.093 -2.455 -4.189 1.00 0.00 H new ATOM 0 HB ILE A 441 -2.227 -0.605 -6.605 1.00 0.00 H new ATOM 0 HG12 ILE A 441 0.130 -1.062 -4.767 1.00 0.00 H new ATOM 0 HG13 ILE A 441 -0.148 -2.095 -6.155 1.00 0.00 H new ATOM 0 HG21 ILE A 441 -1.617 1.181 -5.021 1.00 0.00 H new ATOM 0 HG22 ILE A 441 -3.190 0.453 -4.618 1.00 0.00 H new ATOM 0 HG23 ILE A 441 -1.743 0.025 -3.674 1.00 0.00 H new ATOM 0 HD11 ILE A 441 1.431 -0.307 -6.696 1.00 0.00 H new ATOM 0 HD12 ILE A 441 -0.061 -0.132 -7.650 1.00 0.00 H new ATOM 0 HD13 ILE A 441 0.222 0.917 -6.240 1.00 0.00 H new ATOM 308 N THR A 442 -4.770 -1.990 -6.045 1.00 0.00 N ATOM 309 CA THR A 442 -6.208 -1.752 -6.004 1.00 0.00 C ATOM 310 C THR A 442 -6.982 -3.064 -5.980 1.00 0.00 C ATOM 311 O THR A 442 -8.021 -3.172 -5.329 1.00 0.00 O ATOM 312 CB THR A 442 -6.673 -0.916 -7.211 1.00 0.00 C ATOM 313 OG1 THR A 442 -6.179 -1.491 -8.425 1.00 0.00 O ATOM 314 CG2 THR A 442 -6.192 0.522 -7.091 1.00 0.00 C ATOM 0 H THR A 442 -4.411 -2.246 -6.965 1.00 0.00 H new ATOM 0 HA THR A 442 -6.411 -1.198 -5.088 1.00 0.00 H new ATOM 0 HB THR A 442 -7.763 -0.917 -7.227 1.00 0.00 H new ATOM 0 HG1 THR A 442 -5.589 -2.244 -8.214 1.00 0.00 H new ATOM 0 HG21 THR A 442 -6.533 1.093 -7.955 1.00 0.00 H new ATOM 0 HG22 THR A 442 -6.595 0.966 -6.181 1.00 0.00 H new ATOM 0 HG23 THR A 442 -5.103 0.539 -7.051 1.00 0.00 H new ATOM 322 N GLY A 443 -6.469 -4.062 -6.694 1.00 0.00 N ATOM 323 CA GLY A 443 -7.126 -5.355 -6.740 1.00 0.00 C ATOM 324 C GLY A 443 -7.570 -5.730 -8.140 1.00 0.00 C ATOM 325 O GLY A 443 -7.977 -6.866 -8.387 1.00 0.00 O ATOM 0 H GLY A 443 -5.610 -3.998 -7.241 1.00 0.00 H new ATOM 0 HA2 GLY A 443 -6.446 -6.118 -6.361 1.00 0.00 H new ATOM 0 HA3 GLY A 443 -7.992 -5.343 -6.078 1.00 0.00 H new ATOM 329 N PHE A 444 -7.492 -4.774 -9.060 1.00 0.00 N ATOM 330 CA PHE A 444 -7.891 -5.010 -10.443 1.00 0.00 C ATOM 331 C PHE A 444 -6.674 -5.291 -11.320 1.00 0.00 C ATOM 332 O PHE A 444 -6.104 -4.380 -11.921 1.00 0.00 O ATOM 333 CB PHE A 444 -8.658 -3.802 -10.987 1.00 0.00 C ATOM 334 CG PHE A 444 -8.763 -3.785 -12.485 1.00 0.00 C ATOM 335 CD1 PHE A 444 -9.237 -4.890 -13.173 1.00 0.00 C ATOM 336 CD2 PHE A 444 -8.387 -2.662 -13.206 1.00 0.00 C ATOM 337 CE1 PHE A 444 -9.335 -4.877 -14.552 1.00 0.00 C ATOM 338 CE2 PHE A 444 -8.483 -2.643 -14.585 1.00 0.00 C ATOM 339 CZ PHE A 444 -8.957 -3.752 -15.258 1.00 0.00 C ATOM 0 H PHE A 444 -7.156 -3.829 -8.873 1.00 0.00 H new ATOM 0 HA PHE A 444 -8.541 -5.885 -10.464 1.00 0.00 H new ATOM 0 HB2 PHE A 444 -9.661 -3.796 -10.560 1.00 0.00 H new ATOM 0 HB3 PHE A 444 -8.165 -2.889 -10.655 1.00 0.00 H new ATOM 0 HD1 PHE A 444 -9.534 -5.772 -12.625 1.00 0.00 H new ATOM 0 HD2 PHE A 444 -8.015 -1.792 -12.685 1.00 0.00 H new ATOM 0 HE1 PHE A 444 -9.707 -5.745 -15.076 1.00 0.00 H new ATOM 0 HE2 PHE A 444 -8.188 -1.762 -15.135 1.00 0.00 H new ATOM 0 HZ PHE A 444 -9.032 -3.739 -16.335 1.00 0.00 H new ATOM 349 N CYS A 445 -6.282 -6.559 -11.388 1.00 0.00 N ATOM 350 CA CYS A 445 -5.133 -6.962 -12.189 1.00 0.00 C ATOM 351 C CYS A 445 -5.519 -8.057 -13.180 1.00 0.00 C ATOM 352 O CYS A 445 -5.675 -9.219 -12.807 1.00 0.00 O ATOM 353 CB CYS A 445 -4.001 -7.453 -11.285 1.00 0.00 C ATOM 354 SG CYS A 445 -2.528 -8.034 -12.186 1.00 0.00 S ATOM 0 H CYS A 445 -6.744 -7.325 -10.898 1.00 0.00 H new ATOM 0 HA CYS A 445 -4.789 -6.093 -12.750 1.00 0.00 H new ATOM 0 HB2 CYS A 445 -3.708 -6.644 -10.615 1.00 0.00 H new ATOM 0 HB3 CYS A 445 -4.375 -8.264 -10.661 1.00 0.00 H new ATOM 0 HG CYS A 445 -2.724 -9.251 -12.599 1.00 0.00 H new ATOM 359 N ALA A 446 -5.670 -7.676 -14.445 1.00 0.00 N ATOM 360 CA ALA A 446 -6.034 -8.625 -15.489 1.00 0.00 C ATOM 361 C ALA A 446 -5.314 -9.956 -15.299 1.00 0.00 C ATOM 362 O ALA A 446 -5.949 -11.000 -15.152 1.00 0.00 O ATOM 363 CB ALA A 446 -5.722 -8.045 -16.861 1.00 0.00 C ATOM 0 H ALA A 446 -5.546 -6.717 -14.771 1.00 0.00 H new ATOM 0 HA ALA A 446 -7.106 -8.810 -15.419 1.00 0.00 H new ATOM 0 HB1 ALA A 446 -5.999 -8.764 -17.632 1.00 0.00 H new ATOM 0 HB2 ALA A 446 -6.288 -7.124 -17.004 1.00 0.00 H new ATOM 0 HB3 ALA A 446 -4.656 -7.830 -16.931 1.00 0.00 H new ATOM 369 N ARG A 447 -3.986 -9.910 -15.302 1.00 0.00 N ATOM 370 CA ARG A 447 -3.180 -11.113 -15.131 1.00 0.00 C ATOM 371 C ARG A 447 -3.049 -11.474 -13.655 1.00 0.00 C ATOM 372 O ARG A 447 -2.341 -10.805 -12.902 1.00 0.00 O ATOM 373 CB ARG A 447 -1.792 -10.913 -15.744 1.00 0.00 C ATOM 374 CG ARG A 447 -1.770 -11.042 -17.258 1.00 0.00 C ATOM 375 CD ARG A 447 -0.424 -10.630 -17.833 1.00 0.00 C ATOM 376 NE ARG A 447 -0.445 -10.577 -19.292 1.00 0.00 N ATOM 377 CZ ARG A 447 0.343 -9.784 -20.010 1.00 0.00 C ATOM 378 NH1 ARG A 447 1.209 -8.983 -19.407 1.00 0.00 N ATOM 379 NH2 ARG A 447 0.264 -9.793 -21.335 1.00 0.00 N ATOM 0 H ARG A 447 -3.445 -9.053 -15.421 1.00 0.00 H new ATOM 0 HA ARG A 447 -3.682 -11.933 -15.644 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -1.420 -9.927 -15.467 1.00 0.00 H new ATOM 0 HB3 ARG A 447 -1.106 -11.644 -15.316 1.00 0.00 H new ATOM 0 HG2 ARG A 447 -1.987 -12.072 -17.540 1.00 0.00 H new ATOM 0 HG3 ARG A 447 -2.556 -10.422 -17.689 1.00 0.00 H new ATOM 0 HD2 ARG A 447 -0.145 -9.653 -17.439 1.00 0.00 H new ATOM 0 HD3 ARG A 447 0.341 -11.335 -17.507 1.00 0.00 H new ATOM 0 HE ARG A 447 -1.100 -11.182 -19.787 1.00 0.00 H new ATOM 0 HH11 ARG A 447 1.272 -8.974 -18.389 1.00 0.00 H new ATOM 0 HH12 ARG A 447 1.813 -8.375 -19.961 1.00 0.00 H new ATOM 0 HH21 ARG A 447 -0.402 -10.409 -21.802 1.00 0.00 H new ATOM 0 HH22 ARG A 447 0.869 -9.184 -21.886 1.00 0.00 H new ATOM 393 N ALA A 448 -3.736 -12.536 -13.248 1.00 0.00 N ATOM 394 CA ALA A 448 -3.695 -12.988 -11.863 1.00 0.00 C ATOM 395 C ALA A 448 -2.458 -13.840 -11.599 1.00 0.00 C ATOM 396 O ALA A 448 -1.471 -13.361 -11.042 1.00 0.00 O ATOM 397 CB ALA A 448 -4.957 -13.767 -11.524 1.00 0.00 C ATOM 0 H ALA A 448 -4.328 -13.100 -13.858 1.00 0.00 H new ATOM 0 HA ALA A 448 -3.641 -12.108 -11.222 1.00 0.00 H new ATOM 0 HB1 ALA A 448 -4.912 -14.098 -10.487 1.00 0.00 H new ATOM 0 HB2 ALA A 448 -5.828 -13.127 -11.663 1.00 0.00 H new ATOM 0 HB3 ALA A 448 -5.036 -14.635 -12.179 1.00 0.00 H new ATOM 403 N GLU A 449 -2.520 -15.105 -12.002 1.00 0.00 N ATOM 404 CA GLU A 449 -1.405 -16.024 -11.807 1.00 0.00 C ATOM 405 C GLU A 449 -0.364 -15.858 -12.911 1.00 0.00 C ATOM 406 O GLU A 449 0.575 -16.646 -13.017 1.00 0.00 O ATOM 407 CB GLU A 449 -1.905 -17.469 -11.775 1.00 0.00 C ATOM 408 CG GLU A 449 -3.079 -17.687 -10.835 1.00 0.00 C ATOM 409 CD GLU A 449 -3.665 -19.081 -10.947 1.00 0.00 C ATOM 410 OE1 GLU A 449 -3.578 -19.674 -12.042 1.00 0.00 O ATOM 411 OE2 GLU A 449 -4.211 -19.578 -9.940 1.00 0.00 O ATOM 0 H GLU A 449 -3.330 -15.517 -12.465 1.00 0.00 H new ATOM 0 HA GLU A 449 -0.937 -15.789 -10.851 1.00 0.00 H new ATOM 0 HB2 GLU A 449 -2.197 -17.766 -12.782 1.00 0.00 H new ATOM 0 HB3 GLU A 449 -1.085 -18.122 -11.476 1.00 0.00 H new ATOM 0 HG2 GLU A 449 -2.755 -17.515 -9.809 1.00 0.00 H new ATOM 0 HG3 GLU A 449 -3.855 -16.952 -11.052 1.00 0.00 H new ATOM 418 N ASN A 450 -0.540 -14.828 -13.732 1.00 0.00 N ATOM 419 CA ASN A 450 0.383 -14.559 -14.829 1.00 0.00 C ATOM 420 C ASN A 450 1.228 -13.322 -14.538 1.00 0.00 C ATOM 421 O ASN A 450 2.218 -13.059 -15.221 1.00 0.00 O ATOM 422 CB ASN A 450 -0.389 -14.367 -16.136 1.00 0.00 C ATOM 423 CG ASN A 450 0.406 -14.814 -17.348 1.00 0.00 C ATOM 424 OD1 ASN A 450 0.854 -13.992 -18.148 1.00 0.00 O ATOM 425 ND2 ASN A 450 0.586 -16.122 -17.488 1.00 0.00 N ATOM 0 H ASN A 450 -1.313 -14.166 -13.659 1.00 0.00 H new ATOM 0 HA ASN A 450 1.049 -15.416 -14.930 1.00 0.00 H new ATOM 0 HB2 ASN A 450 -1.322 -14.929 -16.090 1.00 0.00 H new ATOM 0 HB3 ASN A 450 -0.655 -13.316 -16.247 1.00 0.00 H new ATOM 0 HD21 ASN A 450 1.114 -16.482 -18.283 1.00 0.00 H new ATOM 0 HD22 ASN A 450 0.197 -16.767 -16.800 1.00 0.00 H new ATOM 432 N CYS A 451 0.830 -12.566 -13.520 1.00 0.00 N ATOM 433 CA CYS A 451 1.549 -11.358 -13.138 1.00 0.00 C ATOM 434 C CYS A 451 2.944 -11.696 -12.619 1.00 0.00 C ATOM 435 O CYS A 451 3.110 -12.283 -11.550 1.00 0.00 O ATOM 436 CB CYS A 451 0.768 -10.590 -12.069 1.00 0.00 C ATOM 437 SG CYS A 451 1.362 -8.891 -11.791 1.00 0.00 S ATOM 0 H CYS A 451 0.013 -12.770 -12.945 1.00 0.00 H new ATOM 0 HA CYS A 451 1.652 -10.731 -14.024 1.00 0.00 H new ATOM 0 HB2 CYS A 451 -0.282 -10.553 -12.358 1.00 0.00 H new ATOM 0 HB3 CYS A 451 0.821 -11.140 -11.130 1.00 0.00 H new ATOM 0 HG CYS A 451 0.849 -8.427 -10.691 1.00 0.00 H new ATOM 442 N PRO A 452 3.971 -11.316 -13.394 1.00 0.00 N ATOM 443 CA PRO A 452 5.370 -11.568 -13.033 1.00 0.00 C ATOM 444 C PRO A 452 5.824 -10.723 -11.848 1.00 0.00 C ATOM 445 O PRO A 452 6.987 -10.771 -11.448 1.00 0.00 O ATOM 446 CB PRO A 452 6.138 -11.173 -14.297 1.00 0.00 C ATOM 447 CG PRO A 452 5.257 -10.188 -14.984 1.00 0.00 C ATOM 448 CD PRO A 452 3.847 -10.612 -14.681 1.00 0.00 C ATOM 0 HA PRO A 452 5.532 -12.601 -12.724 1.00 0.00 H new ATOM 0 HB2 PRO A 452 7.105 -10.735 -14.052 1.00 0.00 H new ATOM 0 HB3 PRO A 452 6.332 -12.039 -14.929 1.00 0.00 H new ATOM 0 HG2 PRO A 452 5.446 -9.177 -14.623 1.00 0.00 H new ATOM 0 HG3 PRO A 452 5.441 -10.183 -16.058 1.00 0.00 H new ATOM 0 HD2 PRO A 452 3.177 -9.755 -14.607 1.00 0.00 H new ATOM 0 HD3 PRO A 452 3.448 -11.263 -15.458 1.00 0.00 H new ATOM 456 N TYR A 453 4.899 -9.950 -11.289 1.00 0.00 N ATOM 457 CA TYR A 453 5.205 -9.092 -10.151 1.00 0.00 C ATOM 458 C TYR A 453 4.742 -9.733 -8.846 1.00 0.00 C ATOM 459 O TYR A 453 4.127 -10.799 -8.849 1.00 0.00 O ATOM 460 CB TYR A 453 4.542 -7.724 -10.323 1.00 0.00 C ATOM 461 CG TYR A 453 5.095 -6.925 -11.481 1.00 0.00 C ATOM 462 CD1 TYR A 453 4.666 -7.161 -12.781 1.00 0.00 C ATOM 463 CD2 TYR A 453 6.048 -5.935 -11.275 1.00 0.00 C ATOM 464 CE1 TYR A 453 5.169 -6.434 -13.843 1.00 0.00 C ATOM 465 CE2 TYR A 453 6.555 -5.201 -12.330 1.00 0.00 C ATOM 466 CZ TYR A 453 6.113 -5.455 -13.612 1.00 0.00 C ATOM 467 OH TYR A 453 6.617 -4.727 -14.666 1.00 0.00 O ATOM 0 H TYR A 453 3.931 -9.900 -11.606 1.00 0.00 H new ATOM 0 HA TYR A 453 6.286 -8.961 -10.108 1.00 0.00 H new ATOM 0 HB2 TYR A 453 3.471 -7.864 -10.468 1.00 0.00 H new ATOM 0 HB3 TYR A 453 4.667 -7.151 -9.404 1.00 0.00 H new ATOM 0 HD1 TYR A 453 3.926 -7.926 -12.965 1.00 0.00 H new ATOM 0 HD2 TYR A 453 6.398 -5.736 -10.273 1.00 0.00 H new ATOM 0 HE1 TYR A 453 4.825 -6.631 -14.848 1.00 0.00 H new ATOM 0 HE2 TYR A 453 7.293 -4.433 -12.152 1.00 0.00 H new ATOM 0 HH TYR A 453 7.271 -4.078 -14.332 1.00 0.00 H new ATOM 477 N MET A 454 5.042 -9.074 -7.732 1.00 0.00 N ATOM 478 CA MET A 454 4.656 -9.578 -6.419 1.00 0.00 C ATOM 479 C MET A 454 3.301 -9.018 -5.999 1.00 0.00 C ATOM 480 O MET A 454 3.000 -7.848 -6.238 1.00 0.00 O ATOM 481 CB MET A 454 5.716 -9.215 -5.377 1.00 0.00 C ATOM 482 CG MET A 454 7.051 -9.905 -5.603 1.00 0.00 C ATOM 483 SD MET A 454 7.072 -11.598 -4.985 1.00 0.00 S ATOM 484 CE MET A 454 7.897 -11.375 -3.411 1.00 0.00 C ATOM 0 H MET A 454 5.551 -8.190 -7.712 1.00 0.00 H new ATOM 0 HA MET A 454 4.577 -10.663 -6.483 1.00 0.00 H new ATOM 0 HB2 MET A 454 5.868 -8.136 -5.386 1.00 0.00 H new ATOM 0 HB3 MET A 454 5.344 -9.476 -4.386 1.00 0.00 H new ATOM 0 HG2 MET A 454 7.277 -9.909 -6.669 1.00 0.00 H new ATOM 0 HG3 MET A 454 7.839 -9.333 -5.112 1.00 0.00 H new ATOM 0 HE1 MET A 454 8.286 -12.333 -3.065 1.00 0.00 H new ATOM 0 HE2 MET A 454 8.720 -10.670 -3.528 1.00 0.00 H new ATOM 0 HE3 MET A 454 7.188 -10.986 -2.680 1.00 0.00 H new ATOM 494 N HIS A 455 2.485 -9.861 -5.372 1.00 0.00 N ATOM 495 CA HIS A 455 1.161 -9.449 -4.919 1.00 0.00 C ATOM 496 C HIS A 455 1.050 -9.555 -3.401 1.00 0.00 C ATOM 497 O HIS A 455 1.117 -8.552 -2.692 1.00 0.00 O ATOM 498 CB HIS A 455 0.083 -10.306 -5.582 1.00 0.00 C ATOM 499 CG HIS A 455 -0.249 -9.876 -6.978 1.00 0.00 C ATOM 500 ND1 HIS A 455 -1.415 -10.238 -7.620 1.00 0.00 N ATOM 501 CD2 HIS A 455 0.439 -9.110 -7.856 1.00 0.00 C ATOM 502 CE1 HIS A 455 -1.429 -9.713 -8.832 1.00 0.00 C ATOM 503 NE2 HIS A 455 -0.315 -9.023 -9.000 1.00 0.00 N ATOM 0 H HIS A 455 2.718 -10.833 -5.166 1.00 0.00 H new ATOM 0 HA HIS A 455 1.013 -8.408 -5.205 1.00 0.00 H new ATOM 0 HB2 HIS A 455 0.415 -11.344 -5.600 1.00 0.00 H new ATOM 0 HB3 HIS A 455 -0.822 -10.271 -4.975 1.00 0.00 H new ATOM 0 HD1 HIS A 455 -2.151 -10.820 -7.221 1.00 0.00 H new ATOM 0 HD2 HIS A 455 1.403 -8.652 -7.688 1.00 0.00 H new ATOM 0 HE1 HIS A 455 -2.217 -9.828 -9.561 1.00 0.00 H new ATOM 511 N GLY A 456 0.879 -10.778 -2.909 1.00 0.00 N ATOM 512 CA GLY A 456 0.759 -10.992 -1.478 1.00 0.00 C ATOM 513 C GLY A 456 2.105 -11.013 -0.781 1.00 0.00 C ATOM 514 O GLY A 456 2.416 -10.123 0.011 1.00 0.00 O ATOM 0 H GLY A 456 0.821 -11.624 -3.475 1.00 0.00 H new ATOM 0 HA2 GLY A 456 0.142 -10.204 -1.046 1.00 0.00 H new ATOM 0 HA3 GLY A 456 0.244 -11.936 -1.297 1.00 0.00 H new ATOM 518 N ASP A 457 2.906 -12.032 -1.074 1.00 0.00 N ATOM 519 CA ASP A 457 4.226 -12.166 -0.468 1.00 0.00 C ATOM 520 C ASP A 457 4.841 -10.796 -0.200 1.00 0.00 C ATOM 521 O ASP A 457 5.424 -10.563 0.860 1.00 0.00 O ATOM 522 CB ASP A 457 5.146 -12.983 -1.376 1.00 0.00 C ATOM 523 CG ASP A 457 4.500 -14.271 -1.847 1.00 0.00 C ATOM 524 OD1 ASP A 457 3.953 -15.006 -0.997 1.00 0.00 O ATOM 525 OD2 ASP A 457 4.539 -14.544 -3.064 1.00 0.00 O ATOM 0 H ASP A 457 2.664 -12.777 -1.727 1.00 0.00 H new ATOM 0 HA ASP A 457 4.112 -12.686 0.483 1.00 0.00 H new ATOM 0 HB2 ASP A 457 5.424 -12.382 -2.242 1.00 0.00 H new ATOM 0 HB3 ASP A 457 6.066 -13.216 -0.841 1.00 0.00 H new ATOM 530 N PHE A 458 4.709 -9.894 -1.166 1.00 0.00 N ATOM 531 CA PHE A 458 5.255 -8.547 -1.035 1.00 0.00 C ATOM 532 C PHE A 458 4.930 -7.960 0.336 1.00 0.00 C ATOM 533 O PHE A 458 3.786 -7.979 0.792 1.00 0.00 O ATOM 534 CB PHE A 458 4.700 -7.640 -2.135 1.00 0.00 C ATOM 535 CG PHE A 458 5.540 -6.420 -2.385 1.00 0.00 C ATOM 536 CD1 PHE A 458 6.701 -6.504 -3.136 1.00 0.00 C ATOM 537 CD2 PHE A 458 5.166 -5.189 -1.871 1.00 0.00 C ATOM 538 CE1 PHE A 458 7.476 -5.383 -3.367 1.00 0.00 C ATOM 539 CE2 PHE A 458 5.937 -4.064 -2.099 1.00 0.00 C ATOM 540 CZ PHE A 458 7.092 -4.161 -2.849 1.00 0.00 C ATOM 0 H PHE A 458 4.229 -10.070 -2.048 1.00 0.00 H new ATOM 0 HA PHE A 458 6.338 -8.609 -1.137 1.00 0.00 H new ATOM 0 HB2 PHE A 458 4.619 -8.211 -3.060 1.00 0.00 H new ATOM 0 HB3 PHE A 458 3.692 -7.328 -1.863 1.00 0.00 H new ATOM 0 HD1 PHE A 458 7.004 -7.456 -3.546 1.00 0.00 H new ATOM 0 HD2 PHE A 458 4.262 -5.107 -1.286 1.00 0.00 H new ATOM 0 HE1 PHE A 458 8.381 -5.462 -3.952 1.00 0.00 H new ATOM 0 HE2 PHE A 458 5.636 -3.111 -1.691 1.00 0.00 H new ATOM 0 HZ PHE A 458 7.694 -3.283 -3.031 1.00 0.00 H new ATOM 550 N PRO A 459 5.959 -7.427 1.009 1.00 0.00 N ATOM 551 CA PRO A 459 5.810 -6.824 2.337 1.00 0.00 C ATOM 552 C PRO A 459 5.031 -5.513 2.294 1.00 0.00 C ATOM 553 O PRO A 459 5.151 -4.739 1.344 1.00 0.00 O ATOM 554 CB PRO A 459 7.254 -6.574 2.778 1.00 0.00 C ATOM 555 CG PRO A 459 8.022 -6.451 1.508 1.00 0.00 C ATOM 556 CD PRO A 459 7.349 -7.370 0.526 1.00 0.00 C ATOM 0 HA PRO A 459 5.248 -7.466 3.015 1.00 0.00 H new ATOM 0 HB2 PRO A 459 7.333 -5.667 3.378 1.00 0.00 H new ATOM 0 HB3 PRO A 459 7.629 -7.395 3.389 1.00 0.00 H new ATOM 0 HG2 PRO A 459 8.017 -5.423 1.147 1.00 0.00 H new ATOM 0 HG3 PRO A 459 9.065 -6.732 1.654 1.00 0.00 H new ATOM 0 HD2 PRO A 459 7.405 -6.982 -0.491 1.00 0.00 H new ATOM 0 HD3 PRO A 459 7.812 -8.357 0.517 1.00 0.00 H new ATOM 564 N CYS A 460 4.234 -5.270 3.329 1.00 0.00 N ATOM 565 CA CYS A 460 3.435 -4.053 3.410 1.00 0.00 C ATOM 566 C CYS A 460 4.330 -2.823 3.535 1.00 0.00 C ATOM 567 O CYS A 460 5.358 -2.855 4.212 1.00 0.00 O ATOM 568 CB CYS A 460 2.479 -4.124 4.602 1.00 0.00 C ATOM 569 SG CYS A 460 1.207 -2.820 4.614 1.00 0.00 S ATOM 0 H CYS A 460 4.124 -5.900 4.124 1.00 0.00 H new ATOM 0 HA CYS A 460 2.854 -3.967 2.492 1.00 0.00 H new ATOM 0 HB2 CYS A 460 1.987 -5.097 4.602 1.00 0.00 H new ATOM 0 HB3 CYS A 460 3.058 -4.060 5.523 1.00 0.00 H new ATOM 0 HG CYS A 460 0.032 -3.361 4.746 1.00 0.00 H new ATOM 574 N LYS A 461 3.931 -1.740 2.877 1.00 0.00 N ATOM 575 CA LYS A 461 4.694 -0.498 2.913 1.00 0.00 C ATOM 576 C LYS A 461 4.495 0.224 4.242 1.00 0.00 C ATOM 577 O LYS A 461 5.426 0.349 5.039 1.00 0.00 O ATOM 578 CB LYS A 461 4.278 0.415 1.758 1.00 0.00 C ATOM 579 CG LYS A 461 4.941 1.781 1.793 1.00 0.00 C ATOM 580 CD LYS A 461 4.626 2.586 0.543 1.00 0.00 C ATOM 581 CE LYS A 461 5.585 3.755 0.377 1.00 0.00 C ATOM 582 NZ LYS A 461 5.474 4.376 -0.972 1.00 0.00 N ATOM 0 H LYS A 461 3.083 -1.697 2.312 1.00 0.00 H new ATOM 0 HA LYS A 461 5.750 -0.747 2.809 1.00 0.00 H new ATOM 0 HB2 LYS A 461 4.521 -0.073 0.814 1.00 0.00 H new ATOM 0 HB3 LYS A 461 3.196 0.545 1.780 1.00 0.00 H new ATOM 0 HG2 LYS A 461 4.604 2.328 2.674 1.00 0.00 H new ATOM 0 HG3 LYS A 461 6.020 1.660 1.887 1.00 0.00 H new ATOM 0 HD2 LYS A 461 4.684 1.939 -0.332 1.00 0.00 H new ATOM 0 HD3 LYS A 461 3.603 2.958 0.597 1.00 0.00 H new ATOM 0 HE2 LYS A 461 5.379 4.505 1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 461 6.607 3.412 0.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 6.143 5.169 -1.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 5.696 3.667 -1.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 4.505 4.727 -1.114 1.00 0.00 H new ATOM 596 N LEU A 462 3.275 0.696 4.477 1.00 0.00 N ATOM 597 CA LEU A 462 2.953 1.404 5.711 1.00 0.00 C ATOM 598 C LEU A 462 3.535 0.681 6.921 1.00 0.00 C ATOM 599 O LEU A 462 4.326 1.249 7.675 1.00 0.00 O ATOM 600 CB LEU A 462 1.437 1.539 5.863 1.00 0.00 C ATOM 601 CG LEU A 462 0.778 2.656 5.053 1.00 0.00 C ATOM 602 CD1 LEU A 462 -0.732 2.628 5.235 1.00 0.00 C ATOM 603 CD2 LEU A 462 1.340 4.011 5.458 1.00 0.00 C ATOM 0 H LEU A 462 2.493 0.601 3.829 1.00 0.00 H new ATOM 0 HA LEU A 462 3.397 2.398 5.658 1.00 0.00 H new ATOM 0 HB2 LEU A 462 0.978 0.592 5.579 1.00 0.00 H new ATOM 0 HB3 LEU A 462 1.211 1.700 6.917 1.00 0.00 H new ATOM 0 HG LEU A 462 1.000 2.493 3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 462 -1.184 3.430 4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 462 -1.122 1.668 4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 462 -0.974 2.766 6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 462 0.860 4.794 4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 462 1.149 4.182 6.517 1.00 0.00 H new ATOM 0 HD23 LEU A 462 2.414 4.028 5.276 1.00 0.00 H new ATOM 615 N TYR A 463 3.139 -0.574 7.100 1.00 0.00 N ATOM 616 CA TYR A 463 3.621 -1.375 8.219 1.00 0.00 C ATOM 617 C TYR A 463 5.102 -1.115 8.478 1.00 0.00 C ATOM 618 O TYR A 463 5.592 -1.299 9.592 1.00 0.00 O ATOM 619 CB TYR A 463 3.394 -2.863 7.945 1.00 0.00 C ATOM 620 CG TYR A 463 3.857 -3.763 9.067 1.00 0.00 C ATOM 621 CD1 TYR A 463 5.163 -4.237 9.110 1.00 0.00 C ATOM 622 CD2 TYR A 463 2.990 -4.142 10.084 1.00 0.00 C ATOM 623 CE1 TYR A 463 5.591 -5.061 10.133 1.00 0.00 C ATOM 624 CE2 TYR A 463 3.409 -4.964 11.112 1.00 0.00 C ATOM 625 CZ TYR A 463 4.710 -5.421 11.132 1.00 0.00 C ATOM 626 OH TYR A 463 5.132 -6.242 12.153 1.00 0.00 O ATOM 0 H TYR A 463 2.486 -1.059 6.485 1.00 0.00 H new ATOM 0 HA TYR A 463 3.059 -1.086 9.107 1.00 0.00 H new ATOM 0 HB2 TYR A 463 2.332 -3.033 7.769 1.00 0.00 H new ATOM 0 HB3 TYR A 463 3.917 -3.139 7.030 1.00 0.00 H new ATOM 0 HD1 TYR A 463 5.855 -3.956 8.330 1.00 0.00 H new ATOM 0 HD2 TYR A 463 1.970 -3.788 10.071 1.00 0.00 H new ATOM 0 HE1 TYR A 463 6.609 -5.421 10.151 1.00 0.00 H new ATOM 0 HE2 TYR A 463 2.722 -5.247 11.896 1.00 0.00 H new ATOM 0 HH TYR A 463 4.391 -6.398 12.775 1.00 0.00 H new ATOM 636 N HIS A 464 5.811 -0.685 7.438 1.00 0.00 N ATOM 637 CA HIS A 464 7.237 -0.397 7.551 1.00 0.00 C ATOM 638 C HIS A 464 7.479 1.103 7.687 1.00 0.00 C ATOM 639 O HIS A 464 8.152 1.553 8.615 1.00 0.00 O ATOM 640 CB HIS A 464 7.986 -0.939 6.333 1.00 0.00 C ATOM 641 CG HIS A 464 8.002 -2.434 6.257 1.00 0.00 C ATOM 642 ND1 HIS A 464 8.265 -3.241 7.343 1.00 0.00 N ATOM 643 CD2 HIS A 464 7.784 -3.270 5.214 1.00 0.00 C ATOM 644 CE1 HIS A 464 8.210 -4.508 6.972 1.00 0.00 C ATOM 645 NE2 HIS A 464 7.919 -4.552 5.685 1.00 0.00 N ATOM 0 H HIS A 464 5.421 -0.529 6.508 1.00 0.00 H new ATOM 0 HA HIS A 464 7.613 -0.890 8.448 1.00 0.00 H new ATOM 0 HB2 HIS A 464 7.526 -0.542 5.428 1.00 0.00 H new ATOM 0 HB3 HIS A 464 9.013 -0.573 6.356 1.00 0.00 H new ATOM 0 HD1 HIS A 464 8.470 -2.911 8.286 1.00 0.00 H new ATOM 0 HD2 HIS A 464 7.548 -2.982 4.200 1.00 0.00 H new ATOM 0 HE1 HIS A 464 8.375 -5.362 7.612 1.00 0.00 H new ATOM 653 N THR A 465 6.927 1.874 6.755 1.00 0.00 N ATOM 654 CA THR A 465 7.085 3.322 6.769 1.00 0.00 C ATOM 655 C THR A 465 7.207 3.848 8.194 1.00 0.00 C ATOM 656 O THR A 465 8.031 4.718 8.479 1.00 0.00 O ATOM 657 CB THR A 465 5.902 4.023 6.075 1.00 0.00 C ATOM 658 OG1 THR A 465 4.698 3.801 6.816 1.00 0.00 O ATOM 659 CG2 THR A 465 5.730 3.513 4.652 1.00 0.00 C ATOM 0 H THR A 465 6.366 1.519 5.981 1.00 0.00 H new ATOM 0 HA THR A 465 8.001 3.545 6.223 1.00 0.00 H new ATOM 0 HB THR A 465 6.113 5.092 6.038 1.00 0.00 H new ATOM 0 HG1 THR A 465 4.707 2.895 7.191 1.00 0.00 H new ATOM 0 HG21 THR A 465 4.889 4.022 4.182 1.00 0.00 H new ATOM 0 HG22 THR A 465 6.638 3.711 4.082 1.00 0.00 H new ATOM 0 HG23 THR A 465 5.540 2.440 4.671 1.00 0.00 H new ATOM 667 N THR A 466 6.382 3.315 9.090 1.00 0.00 N ATOM 668 CA THR A 466 6.397 3.731 10.486 1.00 0.00 C ATOM 669 C THR A 466 6.481 2.527 11.418 1.00 0.00 C ATOM 670 O THR A 466 7.080 2.600 12.490 1.00 0.00 O ATOM 671 CB THR A 466 5.144 4.554 10.841 1.00 0.00 C ATOM 672 OG1 THR A 466 3.963 3.812 10.517 1.00 0.00 O ATOM 673 CG2 THR A 466 5.138 5.879 10.094 1.00 0.00 C ATOM 0 H THR A 466 5.695 2.594 8.873 1.00 0.00 H new ATOM 0 HA THR A 466 7.282 4.354 10.620 1.00 0.00 H new ATOM 0 HB THR A 466 5.161 4.759 11.911 1.00 0.00 H new ATOM 0 HG1 THR A 466 3.171 4.341 10.747 1.00 0.00 H new ATOM 0 HG21 THR A 466 4.244 6.443 10.360 1.00 0.00 H new ATOM 0 HG22 THR A 466 6.024 6.454 10.365 1.00 0.00 H new ATOM 0 HG23 THR A 466 5.142 5.691 9.020 1.00 0.00 H new ATOM 681 N GLY A 467 5.876 1.418 11.001 1.00 0.00 N ATOM 682 CA GLY A 467 5.895 0.214 11.810 1.00 0.00 C ATOM 683 C GLY A 467 4.526 -0.424 11.932 1.00 0.00 C ATOM 684 O GLY A 467 4.395 -1.646 11.865 1.00 0.00 O ATOM 0 H GLY A 467 5.373 1.333 10.118 1.00 0.00 H new ATOM 0 HA2 GLY A 467 6.589 -0.503 11.372 1.00 0.00 H new ATOM 0 HA3 GLY A 467 6.270 0.454 12.805 1.00 0.00 H new ATOM 688 N ASN A 468 3.502 0.404 12.113 1.00 0.00 N ATOM 689 CA ASN A 468 2.136 -0.087 12.246 1.00 0.00 C ATOM 690 C ASN A 468 1.348 0.140 10.960 1.00 0.00 C ATOM 691 O ASN A 468 1.611 1.085 10.216 1.00 0.00 O ATOM 692 CB ASN A 468 1.435 0.607 13.416 1.00 0.00 C ATOM 693 CG ASN A 468 2.138 0.365 14.738 1.00 0.00 C ATOM 694 OD1 ASN A 468 2.776 1.262 15.288 1.00 0.00 O ATOM 695 ND2 ASN A 468 2.024 -0.854 15.254 1.00 0.00 N ATOM 0 H ASN A 468 3.593 1.418 12.171 1.00 0.00 H new ATOM 0 HA ASN A 468 2.179 -1.159 12.440 1.00 0.00 H new ATOM 0 HB2 ASN A 468 1.388 1.679 13.224 1.00 0.00 H new ATOM 0 HB3 ASN A 468 0.407 0.250 13.484 1.00 0.00 H new ATOM 0 HD21 ASN A 468 2.476 -1.077 16.141 1.00 0.00 H new ATOM 0 HD22 ASN A 468 1.485 -1.567 14.763 1.00 0.00 H new ATOM 702 N CYS A 469 0.379 -0.733 10.704 1.00 0.00 N ATOM 703 CA CYS A 469 -0.448 -0.630 9.508 1.00 0.00 C ATOM 704 C CYS A 469 -1.878 -0.236 9.868 1.00 0.00 C ATOM 705 O CYS A 469 -2.678 -1.075 10.283 1.00 0.00 O ATOM 706 CB CYS A 469 -0.450 -1.957 8.747 1.00 0.00 C ATOM 707 SG CYS A 469 -1.433 -1.934 7.214 1.00 0.00 S ATOM 0 H CYS A 469 0.147 -1.520 11.310 1.00 0.00 H new ATOM 0 HA CYS A 469 -0.025 0.146 8.870 1.00 0.00 H new ATOM 0 HB2 CYS A 469 0.578 -2.225 8.503 1.00 0.00 H new ATOM 0 HB3 CYS A 469 -0.836 -2.738 9.402 1.00 0.00 H new ATOM 0 HG CYS A 469 -0.659 -2.179 6.199 1.00 0.00 H new ATOM 712 N ILE A 470 -2.191 1.045 9.707 1.00 0.00 N ATOM 713 CA ILE A 470 -3.523 1.550 10.013 1.00 0.00 C ATOM 714 C ILE A 470 -4.496 1.261 8.874 1.00 0.00 C ATOM 715 O ILE A 470 -5.356 2.082 8.556 1.00 0.00 O ATOM 716 CB ILE A 470 -3.503 3.066 10.284 1.00 0.00 C ATOM 717 CG1 ILE A 470 -4.762 3.488 11.044 1.00 0.00 C ATOM 718 CG2 ILE A 470 -3.384 3.836 8.977 1.00 0.00 C ATOM 719 CD1 ILE A 470 -4.772 3.043 12.490 1.00 0.00 C ATOM 0 H ILE A 470 -1.540 1.752 9.366 1.00 0.00 H new ATOM 0 HA ILE A 470 -3.857 1.033 10.913 1.00 0.00 H new ATOM 0 HB ILE A 470 -2.635 3.298 10.901 1.00 0.00 H new ATOM 0 HG12 ILE A 470 -4.853 4.574 11.006 1.00 0.00 H new ATOM 0 HG13 ILE A 470 -5.636 3.077 10.540 1.00 0.00 H new ATOM 0 HG21 ILE A 470 -3.371 4.906 9.185 1.00 0.00 H new ATOM 0 HG22 ILE A 470 -2.461 3.554 8.471 1.00 0.00 H new ATOM 0 HG23 ILE A 470 -4.235 3.601 8.337 1.00 0.00 H new ATOM 0 HD11 ILE A 470 -5.694 3.377 12.967 1.00 0.00 H new ATOM 0 HD12 ILE A 470 -4.712 1.956 12.536 1.00 0.00 H new ATOM 0 HD13 ILE A 470 -3.917 3.476 13.010 1.00 0.00 H new ATOM 731 N ASN A 471 -4.354 0.089 8.265 1.00 0.00 N ATOM 732 CA ASN A 471 -5.221 -0.309 7.162 1.00 0.00 C ATOM 733 C ASN A 471 -6.377 -1.170 7.662 1.00 0.00 C ATOM 734 O ASN A 471 -7.543 -0.863 7.418 1.00 0.00 O ATOM 735 CB ASN A 471 -4.420 -1.075 6.107 1.00 0.00 C ATOM 736 CG ASN A 471 -3.264 -0.262 5.556 1.00 0.00 C ATOM 737 OD1 ASN A 471 -3.091 0.906 5.903 1.00 0.00 O ATOM 738 ND2 ASN A 471 -2.465 -0.879 4.693 1.00 0.00 N ATOM 0 H ASN A 471 -3.647 -0.602 8.516 1.00 0.00 H new ATOM 0 HA ASN A 471 -5.632 0.595 6.712 1.00 0.00 H new ATOM 0 HB2 ASN A 471 -4.036 -1.997 6.544 1.00 0.00 H new ATOM 0 HB3 ASN A 471 -5.082 -1.361 5.289 1.00 0.00 H new ATOM 0 HD21 ASN A 471 -1.670 -0.383 4.290 1.00 0.00 H new ATOM 0 HD22 ASN A 471 -2.646 -1.849 4.434 1.00 0.00 H new ATOM 745 N GLY A 472 -6.044 -2.249 8.364 1.00 0.00 N ATOM 746 CA GLY A 472 -7.066 -3.137 8.888 1.00 0.00 C ATOM 747 C GLY A 472 -6.486 -4.422 9.446 1.00 0.00 C ATOM 748 O GLY A 472 -5.408 -4.852 9.038 1.00 0.00 O ATOM 0 H GLY A 472 -5.086 -2.524 8.579 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -7.623 -2.623 9.671 1.00 0.00 H new ATOM 0 HA3 GLY A 472 -7.776 -3.376 8.096 1.00 0.00 H new ATOM 752 N ASP A 473 -7.202 -5.034 10.382 1.00 0.00 N ATOM 753 CA ASP A 473 -6.753 -6.277 10.997 1.00 0.00 C ATOM 754 C ASP A 473 -6.293 -7.273 9.937 1.00 0.00 C ATOM 755 O ASP A 473 -5.226 -7.875 10.058 1.00 0.00 O ATOM 756 CB ASP A 473 -7.874 -6.890 11.838 1.00 0.00 C ATOM 757 CG ASP A 473 -9.221 -6.822 11.145 1.00 0.00 C ATOM 758 OD1 ASP A 473 -9.705 -5.697 10.898 1.00 0.00 O ATOM 759 OD2 ASP A 473 -9.790 -7.893 10.850 1.00 0.00 O ATOM 0 H ASP A 473 -8.096 -4.689 10.732 1.00 0.00 H new ATOM 0 HA ASP A 473 -5.907 -6.047 11.645 1.00 0.00 H new ATOM 0 HB2 ASP A 473 -7.633 -7.930 12.056 1.00 0.00 H new ATOM 0 HB3 ASP A 473 -7.934 -6.369 12.794 1.00 0.00 H new ATOM 764 N ASP A 474 -7.106 -7.443 8.900 1.00 0.00 N ATOM 765 CA ASP A 474 -6.783 -8.366 7.819 1.00 0.00 C ATOM 766 C ASP A 474 -6.237 -7.615 6.608 1.00 0.00 C ATOM 767 O ASP A 474 -6.761 -7.737 5.500 1.00 0.00 O ATOM 768 CB ASP A 474 -8.021 -9.171 7.420 1.00 0.00 C ATOM 769 CG ASP A 474 -9.187 -8.285 7.029 1.00 0.00 C ATOM 770 OD1 ASP A 474 -8.946 -7.226 6.413 1.00 0.00 O ATOM 771 OD2 ASP A 474 -10.340 -8.650 7.340 1.00 0.00 O ATOM 0 H ASP A 474 -7.994 -6.953 8.786 1.00 0.00 H new ATOM 0 HA ASP A 474 -6.014 -9.051 8.176 1.00 0.00 H new ATOM 0 HB2 ASP A 474 -7.771 -9.827 6.586 1.00 0.00 H new ATOM 0 HB3 ASP A 474 -8.318 -9.811 8.251 1.00 0.00 H new ATOM 776 N CYS A 475 -5.183 -6.837 6.827 1.00 0.00 N ATOM 777 CA CYS A 475 -4.567 -6.064 5.755 1.00 0.00 C ATOM 778 C CYS A 475 -4.467 -6.891 4.476 1.00 0.00 C ATOM 779 O CYS A 475 -4.385 -8.118 4.523 1.00 0.00 O ATOM 780 CB CYS A 475 -3.176 -5.587 6.177 1.00 0.00 C ATOM 781 SG CYS A 475 -2.465 -4.312 5.086 1.00 0.00 S ATOM 0 H CYS A 475 -4.737 -6.725 7.738 1.00 0.00 H new ATOM 0 HA CYS A 475 -5.197 -5.197 5.558 1.00 0.00 H new ATOM 0 HB2 CYS A 475 -3.231 -5.192 7.192 1.00 0.00 H new ATOM 0 HB3 CYS A 475 -2.502 -6.444 6.204 1.00 0.00 H new ATOM 0 HG CYS A 475 -2.181 -3.253 5.784 1.00 0.00 H new ATOM 786 N MET A 476 -4.473 -6.210 3.335 1.00 0.00 N ATOM 787 CA MET A 476 -4.382 -6.881 2.044 1.00 0.00 C ATOM 788 C MET A 476 -2.948 -7.314 1.757 1.00 0.00 C ATOM 789 O MET A 476 -2.707 -8.172 0.907 1.00 0.00 O ATOM 790 CB MET A 476 -4.881 -5.959 0.929 1.00 0.00 C ATOM 791 CG MET A 476 -3.880 -4.887 0.533 1.00 0.00 C ATOM 792 SD MET A 476 -2.589 -5.513 -0.560 1.00 0.00 S ATOM 793 CE MET A 476 -3.550 -5.938 -2.010 1.00 0.00 C ATOM 0 H MET A 476 -4.540 -5.194 3.278 1.00 0.00 H new ATOM 0 HA MET A 476 -5.012 -7.770 2.080 1.00 0.00 H new ATOM 0 HB2 MET A 476 -5.123 -6.560 0.053 1.00 0.00 H new ATOM 0 HB3 MET A 476 -5.805 -5.480 1.252 1.00 0.00 H new ATOM 0 HG2 MET A 476 -4.405 -4.070 0.038 1.00 0.00 H new ATOM 0 HG3 MET A 476 -3.421 -4.474 1.431 1.00 0.00 H new ATOM 0 HE1 MET A 476 -2.933 -5.825 -2.901 1.00 0.00 H new ATOM 0 HE2 MET A 476 -3.889 -6.971 -1.932 1.00 0.00 H new ATOM 0 HE3 MET A 476 -4.414 -5.277 -2.080 1.00 0.00 H new ATOM 803 N PHE A 477 -2.000 -6.716 2.470 1.00 0.00 N ATOM 804 CA PHE A 477 -0.589 -7.039 2.290 1.00 0.00 C ATOM 805 C PHE A 477 -0.072 -7.881 3.452 1.00 0.00 C ATOM 806 O PHE A 477 -0.655 -7.888 4.536 1.00 0.00 O ATOM 807 CB PHE A 477 0.238 -5.758 2.166 1.00 0.00 C ATOM 808 CG PHE A 477 0.129 -5.101 0.820 1.00 0.00 C ATOM 809 CD1 PHE A 477 0.459 -5.795 -0.333 1.00 0.00 C ATOM 810 CD2 PHE A 477 -0.304 -3.790 0.707 1.00 0.00 C ATOM 811 CE1 PHE A 477 0.359 -5.194 -1.573 1.00 0.00 C ATOM 812 CE2 PHE A 477 -0.406 -3.183 -0.531 1.00 0.00 C ATOM 813 CZ PHE A 477 -0.073 -3.886 -1.672 1.00 0.00 C ATOM 0 H PHE A 477 -2.183 -6.005 3.178 1.00 0.00 H new ATOM 0 HA PHE A 477 -0.489 -7.618 1.372 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -0.083 -5.053 2.933 1.00 0.00 H new ATOM 0 HB3 PHE A 477 1.284 -5.990 2.364 1.00 0.00 H new ATOM 0 HD1 PHE A 477 0.798 -6.818 -0.262 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -0.565 -3.236 1.596 1.00 0.00 H new ATOM 0 HE1 PHE A 477 0.618 -5.747 -2.464 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -0.746 -2.161 -0.606 1.00 0.00 H new ATOM 0 HZ PHE A 477 -0.150 -3.414 -2.640 1.00 0.00 H new ATOM 823 N SER A 478 1.027 -8.592 3.218 1.00 0.00 N ATOM 824 CA SER A 478 1.621 -9.442 4.243 1.00 0.00 C ATOM 825 C SER A 478 2.455 -8.616 5.217 1.00 0.00 C ATOM 826 O SER A 478 3.095 -7.638 4.829 1.00 0.00 O ATOM 827 CB SER A 478 2.490 -10.523 3.598 1.00 0.00 C ATOM 828 OG SER A 478 1.711 -11.395 2.798 1.00 0.00 O ATOM 0 H SER A 478 1.524 -8.596 2.327 1.00 0.00 H new ATOM 0 HA SER A 478 0.813 -9.919 4.798 1.00 0.00 H new ATOM 0 HB2 SER A 478 3.262 -10.056 2.986 1.00 0.00 H new ATOM 0 HB3 SER A 478 3.000 -11.094 4.374 1.00 0.00 H new ATOM 0 HG SER A 478 1.766 -11.116 1.860 1.00 0.00 H new ATOM 834 N HIS A 479 2.443 -9.017 6.484 1.00 0.00 N ATOM 835 CA HIS A 479 3.199 -8.315 7.515 1.00 0.00 C ATOM 836 C HIS A 479 4.404 -9.138 7.961 1.00 0.00 C ATOM 837 O HIS A 479 4.817 -9.075 9.119 1.00 0.00 O ATOM 838 CB HIS A 479 2.303 -8.009 8.716 1.00 0.00 C ATOM 839 CG HIS A 479 1.387 -6.844 8.498 1.00 0.00 C ATOM 840 ND1 HIS A 479 0.249 -6.631 9.248 1.00 0.00 N ATOM 841 CD2 HIS A 479 1.447 -5.825 7.610 1.00 0.00 C ATOM 842 CE1 HIS A 479 -0.352 -5.532 8.829 1.00 0.00 C ATOM 843 NE2 HIS A 479 0.355 -5.023 7.836 1.00 0.00 N ATOM 0 H HIS A 479 1.918 -9.824 6.821 1.00 0.00 H new ATOM 0 HA HIS A 479 3.558 -7.377 7.091 1.00 0.00 H new ATOM 0 HB2 HIS A 479 1.707 -8.891 8.948 1.00 0.00 H new ATOM 0 HB3 HIS A 479 2.930 -7.810 9.585 1.00 0.00 H new ATOM 0 HD2 HIS A 479 2.211 -5.671 6.863 1.00 0.00 H new ATOM 0 HE1 HIS A 479 -1.266 -5.120 9.230 1.00 0.00 H new ATOM 0 HE2 HIS A 479 0.127 -4.173 7.321 1.00 0.00 H new ATOM 851 N ASP A 480 4.962 -9.910 7.035 1.00 0.00 N ATOM 852 CA ASP A 480 6.120 -10.746 7.333 1.00 0.00 C ATOM 853 C ASP A 480 7.345 -9.889 7.636 1.00 0.00 C ATOM 854 O ASP A 480 7.430 -8.724 7.246 1.00 0.00 O ATOM 855 CB ASP A 480 6.414 -11.683 6.161 1.00 0.00 C ATOM 856 CG ASP A 480 5.502 -12.894 6.144 1.00 0.00 C ATOM 857 OD1 ASP A 480 4.297 -12.733 6.431 1.00 0.00 O ATOM 858 OD2 ASP A 480 5.993 -14.002 5.844 1.00 0.00 O ATOM 0 H ASP A 480 4.632 -9.975 6.072 1.00 0.00 H new ATOM 0 HA ASP A 480 5.890 -11.343 8.216 1.00 0.00 H new ATOM 0 HB2 ASP A 480 6.303 -11.135 5.225 1.00 0.00 H new ATOM 0 HB3 ASP A 480 7.451 -12.014 6.216 1.00 0.00 H new ATOM 863 N PRO A 481 8.317 -10.477 8.349 1.00 0.00 N ATOM 864 CA PRO A 481 9.555 -9.786 8.720 1.00 0.00 C ATOM 865 C PRO A 481 10.458 -9.528 7.519 1.00 0.00 C ATOM 866 O PRO A 481 10.673 -10.412 6.689 1.00 0.00 O ATOM 867 CB PRO A 481 10.226 -10.758 9.694 1.00 0.00 C ATOM 868 CG PRO A 481 9.690 -12.097 9.322 1.00 0.00 C ATOM 869 CD PRO A 481 8.283 -11.863 8.847 1.00 0.00 C ATOM 0 HA PRO A 481 9.360 -8.801 9.145 1.00 0.00 H new ATOM 0 HB2 PRO A 481 11.311 -10.726 9.600 1.00 0.00 H new ATOM 0 HB3 PRO A 481 9.988 -10.510 10.728 1.00 0.00 H new ATOM 0 HG2 PRO A 481 10.295 -12.556 8.540 1.00 0.00 H new ATOM 0 HG3 PRO A 481 9.706 -12.775 10.176 1.00 0.00 H new ATOM 0 HD2 PRO A 481 8.002 -12.565 8.062 1.00 0.00 H new ATOM 0 HD3 PRO A 481 7.561 -11.982 9.655 1.00 0.00 H new ATOM 877 N LEU A 482 10.984 -8.311 7.431 1.00 0.00 N ATOM 878 CA LEU A 482 11.865 -7.936 6.330 1.00 0.00 C ATOM 879 C LEU A 482 13.129 -8.790 6.329 1.00 0.00 C ATOM 880 O LEU A 482 13.725 -9.039 7.378 1.00 0.00 O ATOM 881 CB LEU A 482 12.236 -6.456 6.429 1.00 0.00 C ATOM 882 CG LEU A 482 11.123 -5.461 6.097 1.00 0.00 C ATOM 883 CD1 LEU A 482 11.639 -4.033 6.186 1.00 0.00 C ATOM 884 CD2 LEU A 482 10.554 -5.740 4.713 1.00 0.00 C ATOM 0 H LEU A 482 10.816 -7.567 8.109 1.00 0.00 H new ATOM 0 HA LEU A 482 11.331 -8.109 5.395 1.00 0.00 H new ATOM 0 HB2 LEU A 482 12.584 -6.256 7.442 1.00 0.00 H new ATOM 0 HB3 LEU A 482 13.076 -6.267 5.761 1.00 0.00 H new ATOM 0 HG LEU A 482 10.323 -5.582 6.828 1.00 0.00 H new ATOM 0 HD11 LEU A 482 10.833 -3.339 5.946 1.00 0.00 H new ATOM 0 HD12 LEU A 482 11.997 -3.838 7.197 1.00 0.00 H new ATOM 0 HD13 LEU A 482 12.457 -3.897 5.479 1.00 0.00 H new ATOM 0 HD21 LEU A 482 9.763 -5.023 4.493 1.00 0.00 H new ATOM 0 HD22 LEU A 482 11.345 -5.647 3.969 1.00 0.00 H new ATOM 0 HD23 LEU A 482 10.146 -6.750 4.684 1.00 0.00 H new ATOM 896 N THR A 483 13.536 -9.236 5.145 1.00 0.00 N ATOM 897 CA THR A 483 14.729 -10.061 5.007 1.00 0.00 C ATOM 898 C THR A 483 15.761 -9.389 4.107 1.00 0.00 C ATOM 899 O THR A 483 15.411 -8.603 3.227 1.00 0.00 O ATOM 900 CB THR A 483 14.390 -11.449 4.432 1.00 0.00 C ATOM 901 OG1 THR A 483 13.738 -11.308 3.165 1.00 0.00 O ATOM 902 CG2 THR A 483 13.494 -12.225 5.386 1.00 0.00 C ATOM 0 H THR A 483 13.056 -9.039 4.267 1.00 0.00 H new ATOM 0 HA THR A 483 15.146 -10.183 6.007 1.00 0.00 H new ATOM 0 HB THR A 483 15.320 -12.002 4.302 1.00 0.00 H new ATOM 0 HG1 THR A 483 13.527 -12.195 2.805 1.00 0.00 H new ATOM 0 HG21 THR A 483 13.268 -13.202 4.959 1.00 0.00 H new ATOM 0 HG22 THR A 483 14.005 -12.355 6.340 1.00 0.00 H new ATOM 0 HG23 THR A 483 12.567 -11.674 5.543 1.00 0.00 H new ATOM 910 N GLU A 484 17.032 -9.706 4.333 1.00 0.00 N ATOM 911 CA GLU A 484 18.114 -9.132 3.541 1.00 0.00 C ATOM 912 C GLU A 484 17.723 -9.043 2.069 1.00 0.00 C ATOM 913 O GLU A 484 18.192 -8.167 1.344 1.00 0.00 O ATOM 914 CB GLU A 484 19.386 -9.968 3.694 1.00 0.00 C ATOM 915 CG GLU A 484 20.538 -9.485 2.829 1.00 0.00 C ATOM 916 CD GLU A 484 21.807 -10.286 3.048 1.00 0.00 C ATOM 917 OE1 GLU A 484 22.030 -10.746 4.187 1.00 0.00 O ATOM 918 OE2 GLU A 484 22.578 -10.452 2.079 1.00 0.00 O ATOM 0 H GLU A 484 17.338 -10.356 5.057 1.00 0.00 H new ATOM 0 HA GLU A 484 18.305 -8.124 3.909 1.00 0.00 H new ATOM 0 HB2 GLU A 484 19.696 -9.954 4.739 1.00 0.00 H new ATOM 0 HB3 GLU A 484 19.162 -11.004 3.441 1.00 0.00 H new ATOM 0 HG2 GLU A 484 20.250 -9.547 1.779 1.00 0.00 H new ATOM 0 HG3 GLU A 484 20.734 -8.435 3.045 1.00 0.00 H new ATOM 925 N GLU A 485 16.861 -9.958 1.636 1.00 0.00 N ATOM 926 CA GLU A 485 16.409 -9.985 0.250 1.00 0.00 C ATOM 927 C GLU A 485 15.301 -8.960 0.020 1.00 0.00 C ATOM 928 O GLU A 485 15.530 -7.902 -0.566 1.00 0.00 O ATOM 929 CB GLU A 485 15.910 -11.383 -0.121 1.00 0.00 C ATOM 930 CG GLU A 485 17.012 -12.429 -0.169 1.00 0.00 C ATOM 931 CD GLU A 485 17.894 -12.289 -1.395 1.00 0.00 C ATOM 932 OE1 GLU A 485 18.162 -11.142 -1.807 1.00 0.00 O ATOM 933 OE2 GLU A 485 18.318 -13.330 -1.941 1.00 0.00 O ATOM 0 H GLU A 485 16.462 -10.689 2.224 1.00 0.00 H new ATOM 0 HA GLU A 485 17.256 -9.729 -0.387 1.00 0.00 H new ATOM 0 HB2 GLU A 485 15.156 -11.694 0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 485 15.420 -11.339 -1.094 1.00 0.00 H new ATOM 0 HG2 GLU A 485 17.626 -12.346 0.728 1.00 0.00 H new ATOM 0 HG3 GLU A 485 16.565 -13.423 -0.159 1.00 0.00 H new ATOM 940 N THR A 486 14.098 -9.283 0.485 1.00 0.00 N ATOM 941 CA THR A 486 12.954 -8.394 0.329 1.00 0.00 C ATOM 942 C THR A 486 13.314 -6.963 0.713 1.00 0.00 C ATOM 943 O THR A 486 13.016 -6.020 -0.021 1.00 0.00 O ATOM 944 CB THR A 486 11.761 -8.858 1.185 1.00 0.00 C ATOM 945 OG1 THR A 486 12.081 -8.742 2.576 1.00 0.00 O ATOM 946 CG2 THR A 486 11.392 -10.299 0.864 1.00 0.00 C ATOM 0 H THR A 486 13.891 -10.154 0.973 1.00 0.00 H new ATOM 0 HA THR A 486 12.671 -8.425 -0.723 1.00 0.00 H new ATOM 0 HB THR A 486 10.908 -8.220 0.954 1.00 0.00 H new ATOM 0 HG1 THR A 486 11.607 -9.436 3.080 1.00 0.00 H new ATOM 0 HG21 THR A 486 10.547 -10.604 1.481 1.00 0.00 H new ATOM 0 HG22 THR A 486 11.121 -10.379 -0.189 1.00 0.00 H new ATOM 0 HG23 THR A 486 12.244 -10.947 1.069 1.00 0.00 H new ATOM 954 N ARG A 487 13.956 -6.808 1.866 1.00 0.00 N ATOM 955 CA ARG A 487 14.356 -5.491 2.346 1.00 0.00 C ATOM 956 C ARG A 487 14.880 -4.630 1.201 1.00 0.00 C ATOM 957 O ARG A 487 14.584 -3.439 1.122 1.00 0.00 O ATOM 958 CB ARG A 487 15.428 -5.624 3.430 1.00 0.00 C ATOM 959 CG ARG A 487 16.037 -4.297 3.850 1.00 0.00 C ATOM 960 CD ARG A 487 14.966 -3.248 4.105 1.00 0.00 C ATOM 961 NE ARG A 487 15.380 -2.277 5.114 1.00 0.00 N ATOM 962 CZ ARG A 487 15.326 -2.507 6.422 1.00 0.00 C ATOM 963 NH1 ARG A 487 14.877 -3.669 6.876 1.00 0.00 N ATOM 964 NH2 ARG A 487 15.721 -1.573 7.278 1.00 0.00 N ATOM 0 H ARG A 487 14.210 -7.578 2.485 1.00 0.00 H new ATOM 0 HA ARG A 487 13.477 -5.005 2.770 1.00 0.00 H new ATOM 0 HB2 ARG A 487 14.991 -6.106 4.304 1.00 0.00 H new ATOM 0 HB3 ARG A 487 16.220 -6.279 3.067 1.00 0.00 H new ATOM 0 HG2 ARG A 487 16.632 -4.438 4.752 1.00 0.00 H new ATOM 0 HG3 ARG A 487 16.715 -3.945 3.073 1.00 0.00 H new ATOM 0 HD2 ARG A 487 14.738 -2.729 3.174 1.00 0.00 H new ATOM 0 HD3 ARG A 487 14.048 -3.738 4.429 1.00 0.00 H new ATOM 0 HE ARG A 487 15.730 -1.373 4.798 1.00 0.00 H new ATOM 0 HH11 ARG A 487 14.572 -4.389 6.221 1.00 0.00 H new ATOM 0 HH12 ARG A 487 14.837 -3.843 7.880 1.00 0.00 H new ATOM 0 HH21 ARG A 487 16.066 -0.678 6.932 1.00 0.00 H new ATOM 0 HH22 ARG A 487 15.679 -1.750 8.282 1.00 0.00 H new ATOM 978 N GLU A 488 15.661 -5.243 0.316 1.00 0.00 N ATOM 979 CA GLU A 488 16.226 -4.531 -0.824 1.00 0.00 C ATOM 980 C GLU A 488 15.126 -4.046 -1.764 1.00 0.00 C ATOM 981 O GLU A 488 15.198 -2.942 -2.305 1.00 0.00 O ATOM 982 CB GLU A 488 17.201 -5.433 -1.585 1.00 0.00 C ATOM 983 CG GLU A 488 17.857 -4.754 -2.775 1.00 0.00 C ATOM 984 CD GLU A 488 17.008 -4.827 -4.030 1.00 0.00 C ATOM 985 OE1 GLU A 488 16.154 -5.734 -4.115 1.00 0.00 O ATOM 986 OE2 GLU A 488 17.199 -3.979 -4.925 1.00 0.00 O ATOM 0 H GLU A 488 15.916 -6.229 0.367 1.00 0.00 H new ATOM 0 HA GLU A 488 16.765 -3.662 -0.445 1.00 0.00 H new ATOM 0 HB2 GLU A 488 17.977 -5.775 -0.900 1.00 0.00 H new ATOM 0 HB3 GLU A 488 16.668 -6.319 -1.931 1.00 0.00 H new ATOM 0 HG2 GLU A 488 18.050 -3.709 -2.532 1.00 0.00 H new ATOM 0 HG3 GLU A 488 18.823 -5.220 -2.967 1.00 0.00 H new ATOM 993 N LEU A 489 14.109 -4.879 -1.953 1.00 0.00 N ATOM 994 CA LEU A 489 12.992 -4.537 -2.828 1.00 0.00 C ATOM 995 C LEU A 489 12.474 -3.135 -2.525 1.00 0.00 C ATOM 996 O LEU A 489 12.606 -2.223 -3.343 1.00 0.00 O ATOM 997 CB LEU A 489 11.863 -5.557 -2.668 1.00 0.00 C ATOM 998 CG LEU A 489 12.192 -6.993 -3.076 1.00 0.00 C ATOM 999 CD1 LEU A 489 10.970 -7.885 -2.923 1.00 0.00 C ATOM 1000 CD2 LEU A 489 12.710 -7.036 -4.506 1.00 0.00 C ATOM 0 H LEU A 489 14.034 -5.796 -1.513 1.00 0.00 H new ATOM 0 HA LEU A 489 13.348 -4.558 -3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 489 11.549 -5.560 -1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 489 11.010 -5.220 -3.257 1.00 0.00 H new ATOM 0 HG LEU A 489 12.974 -7.367 -2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 489 11.224 -8.903 -3.218 1.00 0.00 H new ATOM 0 HD12 LEU A 489 10.643 -7.879 -1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 489 10.166 -7.513 -3.558 1.00 0.00 H new ATOM 0 HD21 LEU A 489 12.939 -8.066 -4.779 1.00 0.00 H new ATOM 0 HD22 LEU A 489 11.950 -6.642 -5.180 1.00 0.00 H new ATOM 0 HD23 LEU A 489 13.613 -6.431 -4.584 1.00 0.00 H new ATOM 1012 N LEU A 490 11.885 -2.969 -1.346 1.00 0.00 N ATOM 1013 CA LEU A 490 11.348 -1.677 -0.934 1.00 0.00 C ATOM 1014 C LEU A 490 12.292 -0.545 -1.328 1.00 0.00 C ATOM 1015 O LEU A 490 11.904 0.380 -2.042 1.00 0.00 O ATOM 1016 CB LEU A 490 11.113 -1.658 0.577 1.00 0.00 C ATOM 1017 CG LEU A 490 9.956 -2.517 1.087 1.00 0.00 C ATOM 1018 CD1 LEU A 490 10.059 -2.713 2.592 1.00 0.00 C ATOM 1019 CD2 LEU A 490 8.621 -1.886 0.720 1.00 0.00 C ATOM 0 H LEU A 490 11.767 -3.713 -0.658 1.00 0.00 H new ATOM 0 HA LEU A 490 10.397 -1.527 -1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 490 12.028 -1.986 1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 490 10.937 -0.627 0.884 1.00 0.00 H new ATOM 0 HG LEU A 490 10.017 -3.495 0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 490 9.227 -3.327 2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 490 11.000 -3.209 2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 490 10.024 -1.743 3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 490 7.809 -2.511 1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 490 8.551 -0.895 1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 490 8.546 -1.799 -0.364 1.00 0.00 H new ATOM 1031 N ASP A 491 13.532 -0.625 -0.858 1.00 0.00 N ATOM 1032 CA ASP A 491 14.532 0.391 -1.164 1.00 0.00 C ATOM 1033 C ASP A 491 14.420 0.844 -2.616 1.00 0.00 C ATOM 1034 O ASP A 491 14.511 2.036 -2.914 1.00 0.00 O ATOM 1035 CB ASP A 491 15.937 -0.149 -0.892 1.00 0.00 C ATOM 1036 CG ASP A 491 16.230 -0.281 0.589 1.00 0.00 C ATOM 1037 OD1 ASP A 491 16.270 0.758 1.282 1.00 0.00 O ATOM 1038 OD2 ASP A 491 16.419 -1.423 1.057 1.00 0.00 O ATOM 0 H ASP A 491 13.869 -1.383 -0.264 1.00 0.00 H new ATOM 0 HA ASP A 491 14.350 1.251 -0.519 1.00 0.00 H new ATOM 0 HB2 ASP A 491 16.047 -1.123 -1.369 1.00 0.00 H new ATOM 0 HB3 ASP A 491 16.672 0.514 -1.347 1.00 0.00 H new ATOM 1043 N LYS A 492 14.224 -0.113 -3.516 1.00 0.00 N ATOM 1044 CA LYS A 492 14.099 0.187 -4.938 1.00 0.00 C ATOM 1045 C LYS A 492 12.696 0.686 -5.267 1.00 0.00 C ATOM 1046 O LYS A 492 12.531 1.663 -5.998 1.00 0.00 O ATOM 1047 CB LYS A 492 14.419 -1.056 -5.772 1.00 0.00 C ATOM 1048 CG LYS A 492 14.668 -0.755 -7.240 1.00 0.00 C ATOM 1049 CD LYS A 492 15.588 -1.786 -7.871 1.00 0.00 C ATOM 1050 CE LYS A 492 14.864 -3.099 -8.125 1.00 0.00 C ATOM 1051 NZ LYS A 492 13.791 -2.953 -9.147 1.00 0.00 N ATOM 0 H LYS A 492 14.148 -1.104 -3.286 1.00 0.00 H new ATOM 0 HA LYS A 492 14.812 0.974 -5.182 1.00 0.00 H new ATOM 0 HB2 LYS A 492 15.299 -1.546 -5.356 1.00 0.00 H new ATOM 0 HB3 LYS A 492 13.592 -1.762 -5.689 1.00 0.00 H new ATOM 0 HG2 LYS A 492 13.719 -0.737 -7.775 1.00 0.00 H new ATOM 0 HG3 LYS A 492 15.109 0.237 -7.340 1.00 0.00 H new ATOM 0 HD2 LYS A 492 15.980 -1.398 -8.811 1.00 0.00 H new ATOM 0 HD3 LYS A 492 16.442 -1.961 -7.217 1.00 0.00 H new ATOM 0 HE2 LYS A 492 15.581 -3.851 -8.456 1.00 0.00 H new ATOM 0 HE3 LYS A 492 14.430 -3.461 -7.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 13.543 -3.889 -9.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 12.951 -2.523 -8.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 14.128 -2.344 -9.920 1.00 0.00 H new ATOM 1065 N MET A 493 11.689 0.011 -4.723 1.00 0.00 N ATOM 1066 CA MET A 493 10.300 0.389 -4.957 1.00 0.00 C ATOM 1067 C MET A 493 10.065 1.850 -4.588 1.00 0.00 C ATOM 1068 O MET A 493 9.658 2.655 -5.426 1.00 0.00 O ATOM 1069 CB MET A 493 9.361 -0.511 -4.152 1.00 0.00 C ATOM 1070 CG MET A 493 7.929 -0.505 -4.661 1.00 0.00 C ATOM 1071 SD MET A 493 7.003 0.943 -4.115 1.00 0.00 S ATOM 1072 CE MET A 493 6.563 0.454 -2.449 1.00 0.00 C ATOM 0 H MET A 493 11.809 -0.801 -4.117 1.00 0.00 H new ATOM 0 HA MET A 493 10.089 0.263 -6.019 1.00 0.00 H new ATOM 0 HB2 MET A 493 9.742 -1.532 -4.175 1.00 0.00 H new ATOM 0 HB3 MET A 493 9.369 -0.191 -3.110 1.00 0.00 H new ATOM 0 HG2 MET A 493 7.935 -0.538 -5.750 1.00 0.00 H new ATOM 0 HG3 MET A 493 7.422 -1.407 -4.317 1.00 0.00 H new ATOM 0 HE1 MET A 493 6.606 1.322 -1.792 1.00 0.00 H new ATOM 0 HE2 MET A 493 5.553 0.045 -2.445 1.00 0.00 H new ATOM 0 HE3 MET A 493 7.263 -0.303 -2.095 1.00 0.00 H new ATOM 1082 N LEU A 494 10.322 2.186 -3.328 1.00 0.00 N ATOM 1083 CA LEU A 494 10.137 3.551 -2.847 1.00 0.00 C ATOM 1084 C LEU A 494 10.832 4.550 -3.766 1.00 0.00 C ATOM 1085 O LEU A 494 10.189 5.422 -4.351 1.00 0.00 O ATOM 1086 CB LEU A 494 10.679 3.688 -1.423 1.00 0.00 C ATOM 1087 CG LEU A 494 9.792 3.127 -0.311 1.00 0.00 C ATOM 1088 CD1 LEU A 494 9.591 1.630 -0.493 1.00 0.00 C ATOM 1089 CD2 LEU A 494 10.396 3.424 1.054 1.00 0.00 C ATOM 0 H LEU A 494 10.659 1.532 -2.621 1.00 0.00 H new ATOM 0 HA LEU A 494 9.069 3.769 -2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 494 11.647 3.190 -1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 494 10.854 4.745 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 494 8.818 3.613 -0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 494 8.957 1.248 0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 494 9.114 1.441 -1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 494 10.557 1.127 -0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 494 9.751 3.018 1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 494 11.382 2.965 1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 494 10.487 4.502 1.185 1.00 0.00 H new