USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 541 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 492 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 493 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 442 HIS : no HD1:sc= 0.126 K(o=1.3,f=-3.3) USER MOD Set 2.2: A 444 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 473 SER OG : rot -170:sc= 0.0173 USER MOD Set 2.4: A 500 GLN : amide:sc= 1.14 K(o=1.3,f=-0.67) USER MOD Set 3.1: A 439 HIS : no HD1:sc= 0.0179 K(o=0.018,f=-0.52) USER MOD Set 3.2: A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 447 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 450 LYS NZ :NH3+ 179:sc= 0.933 (180deg=0.932) USER MOD Single : A 451 THR OG1 : rot 180:sc= 0.0534 USER MOD Single : A 452 SER OG : rot 180:sc= 0 USER MOD Single : A 455 TYR OH : rot -130:sc= 0.186 USER MOD Single : A 456 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 463 ASN : amide:sc= -0.0546 X(o=-0.055,f=-0.055) USER MOD Single : A 465 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 467 SER OG : rot 180:sc= 0 USER MOD Single : A 472 THR OG1 : rot 180:sc= 0 USER MOD Single : A 479 SER OG : rot 180:sc= 0 USER MOD Single : A 480 GLN : amide:sc= 0.836 K(o=0.84,f=-0.0082) USER MOD Single : A 483 GLN : amide:sc= 0.0531 K(o=0.053,f=-2.5) USER MOD Single : A 485 GLN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 489 ASN : amide:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 490 THR OG1 : rot -76:sc= 0.898 USER MOD Single : A 491 SER OG : rot -75:sc= 0.887 USER MOD Single : A 496 SER OG : rot 180:sc= 0 USER MOD Single : A 497 TYR OH : rot 180:sc= 0 USER MOD Single : A 501 THR OG1 : rot 180:sc= 0.338 USER MOD Single : A 502 TYR OH : rot 180:sc= 0 USER MOD Single : A 505 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 173 N ARG A 437 -1.808 -9.755 -7.280 1.00 0.00 N ATOM 174 CA ARG A 437 -1.139 -8.588 -6.645 1.00 0.00 C ATOM 175 C ARG A 437 -0.709 -7.472 -7.609 1.00 0.00 C ATOM 176 O ARG A 437 -0.313 -6.399 -7.157 1.00 0.00 O ATOM 177 CB ARG A 437 0.070 -9.071 -5.816 1.00 0.00 C ATOM 178 CG ARG A 437 -0.276 -10.002 -4.641 1.00 0.00 C ATOM 179 CD ARG A 437 -1.125 -9.307 -3.568 1.00 0.00 C ATOM 180 NE ARG A 437 -1.418 -10.216 -2.445 1.00 0.00 N ATOM 181 CZ ARG A 437 -2.520 -10.916 -2.246 1.00 0.00 C ATOM 182 NH1 ARG A 437 -3.517 -10.918 -3.087 1.00 0.00 N ATOM 183 NH2 ARG A 437 -2.642 -11.646 -1.175 1.00 0.00 N ATOM 0 HA ARG A 437 -1.895 -8.131 -6.007 1.00 0.00 H new ATOM 0 HB2 ARG A 437 0.762 -9.590 -6.479 1.00 0.00 H new ATOM 0 HB3 ARG A 437 0.596 -8.199 -5.426 1.00 0.00 H new ATOM 0 HG2 ARG A 437 -0.814 -10.872 -5.018 1.00 0.00 H new ATOM 0 HG3 ARG A 437 0.646 -10.368 -4.189 1.00 0.00 H new ATOM 0 HD2 ARG A 437 -0.599 -8.427 -3.198 1.00 0.00 H new ATOM 0 HD3 ARG A 437 -2.059 -8.958 -4.009 1.00 0.00 H new ATOM 0 HE ARG A 437 -0.686 -10.316 -1.742 1.00 0.00 H new ATOM 0 HH11 ARG A 437 -3.465 -10.363 -3.941 1.00 0.00 H new ATOM 0 HH12 ARG A 437 -4.349 -11.475 -2.891 1.00 0.00 H new ATOM 0 HH21 ARG A 437 -1.887 -11.677 -0.490 1.00 0.00 H new ATOM 0 HH22 ARG A 437 -3.493 -12.187 -1.021 1.00 0.00 H new ATOM 197 N ASP A 438 -0.830 -7.673 -8.921 1.00 0.00 N ATOM 198 CA ASP A 438 -0.499 -6.681 -9.962 1.00 0.00 C ATOM 199 C ASP A 438 -1.421 -5.437 -9.999 1.00 0.00 C ATOM 200 O ASP A 438 -1.164 -4.502 -10.760 1.00 0.00 O ATOM 201 CB ASP A 438 -0.427 -7.381 -11.328 1.00 0.00 C ATOM 202 CG ASP A 438 -1.732 -8.100 -11.698 1.00 0.00 C ATOM 203 OD1 ASP A 438 -1.928 -9.243 -11.222 1.00 0.00 O ATOM 204 OD2 ASP A 438 -2.550 -7.533 -12.459 1.00 0.00 O ATOM 0 H ASP A 438 -1.170 -8.554 -9.307 1.00 0.00 H new ATOM 0 HA ASP A 438 0.476 -6.271 -9.700 1.00 0.00 H new ATOM 0 HB2 ASP A 438 -0.193 -6.644 -12.097 1.00 0.00 H new ATOM 0 HB3 ASP A 438 0.390 -8.103 -11.319 1.00 0.00 H new ATOM 209 N HIS A 439 -2.452 -5.384 -9.147 1.00 0.00 N ATOM 210 CA HIS A 439 -3.371 -4.251 -8.961 1.00 0.00 C ATOM 211 C HIS A 439 -3.312 -3.651 -7.538 1.00 0.00 C ATOM 212 O HIS A 439 -4.194 -2.874 -7.164 1.00 0.00 O ATOM 213 CB HIS A 439 -4.793 -4.725 -9.310 1.00 0.00 C ATOM 214 CG HIS A 439 -5.363 -5.675 -8.280 1.00 0.00 C ATOM 215 ND1 HIS A 439 -4.951 -6.994 -8.067 1.00 0.00 N ATOM 216 CD2 HIS A 439 -6.283 -5.350 -7.330 1.00 0.00 C ATOM 217 CE1 HIS A 439 -5.620 -7.423 -6.981 1.00 0.00 C ATOM 218 NE2 HIS A 439 -6.432 -6.456 -6.525 1.00 0.00 N ATOM 0 H HIS A 439 -2.681 -6.169 -8.537 1.00 0.00 H new ATOM 0 HA HIS A 439 -3.065 -3.443 -9.626 1.00 0.00 H new ATOM 0 HB2 HIS A 439 -5.448 -3.858 -9.400 1.00 0.00 H new ATOM 0 HB3 HIS A 439 -4.779 -5.217 -10.283 1.00 0.00 H new ATOM 0 HD2 HIS A 439 -6.797 -4.406 -7.228 1.00 0.00 H new ATOM 0 HE1 HIS A 439 -5.518 -8.404 -6.540 1.00 0.00 H new ATOM 0 HE2 HIS A 439 -7.053 -6.529 -5.719 1.00 0.00 H new ATOM 226 N VAL A 440 -2.300 -4.010 -6.735 1.00 0.00 N ATOM 227 CA VAL A 440 -2.222 -3.700 -5.293 1.00 0.00 C ATOM 228 C VAL A 440 -1.037 -2.788 -4.970 1.00 0.00 C ATOM 229 O VAL A 440 0.121 -3.087 -5.278 1.00 0.00 O ATOM 230 CB VAL A 440 -2.160 -4.991 -4.444 1.00 0.00 C ATOM 231 CG1 VAL A 440 -2.170 -4.694 -2.937 1.00 0.00 C ATOM 232 CG2 VAL A 440 -3.358 -5.905 -4.732 1.00 0.00 C ATOM 0 H VAL A 440 -1.494 -4.535 -7.073 1.00 0.00 H new ATOM 0 HA VAL A 440 -3.134 -3.163 -5.034 1.00 0.00 H new ATOM 0 HB VAL A 440 -1.225 -5.479 -4.720 1.00 0.00 H new ATOM 0 HG11 VAL A 440 -2.125 -5.631 -2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 440 -1.307 -4.079 -2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 440 -3.085 -4.161 -2.677 1.00 0.00 H new ATOM 0 HG21 VAL A 440 -3.285 -6.804 -4.120 1.00 0.00 H new ATOM 0 HG22 VAL A 440 -4.283 -5.378 -4.495 1.00 0.00 H new ATOM 0 HG23 VAL A 440 -3.358 -6.183 -5.786 1.00 0.00 H new ATOM 242 N LEU A 441 -1.343 -1.674 -4.306 1.00 0.00 N ATOM 243 CA LEU A 441 -0.388 -0.748 -3.698 1.00 0.00 C ATOM 244 C LEU A 441 -0.144 -1.075 -2.219 1.00 0.00 C ATOM 245 O LEU A 441 -0.918 -1.782 -1.573 1.00 0.00 O ATOM 246 CB LEU A 441 -0.966 0.683 -3.743 1.00 0.00 C ATOM 247 CG LEU A 441 -1.288 1.263 -5.125 1.00 0.00 C ATOM 248 CD1 LEU A 441 -1.999 2.601 -4.921 1.00 0.00 C ATOM 249 CD2 LEU A 441 -0.014 1.487 -5.938 1.00 0.00 C ATOM 0 H LEU A 441 -2.310 -1.378 -4.171 1.00 0.00 H new ATOM 0 HA LEU A 441 0.545 -0.835 -4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 441 -1.880 0.698 -3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 441 -0.257 1.350 -3.253 1.00 0.00 H new ATOM 0 HG LEU A 441 -1.918 0.562 -5.673 1.00 0.00 H new ATOM 0 HD11 LEU A 441 -2.240 3.036 -5.891 1.00 0.00 H new ATOM 0 HD12 LEU A 441 -2.918 2.442 -4.356 1.00 0.00 H new ATOM 0 HD13 LEU A 441 -1.347 3.279 -4.371 1.00 0.00 H new ATOM 0 HD21 LEU A 441 -0.273 1.899 -6.913 1.00 0.00 H new ATOM 0 HD22 LEU A 441 0.636 2.185 -5.410 1.00 0.00 H new ATOM 0 HD23 LEU A 441 0.504 0.537 -6.071 1.00 0.00 H new ATOM 261 N HIS A 442 0.886 -0.444 -1.671 1.00 0.00 N ATOM 262 CA HIS A 442 1.191 -0.329 -0.249 1.00 0.00 C ATOM 263 C HIS A 442 1.399 1.164 0.041 1.00 0.00 C ATOM 264 O HIS A 442 2.021 1.877 -0.752 1.00 0.00 O ATOM 265 CB HIS A 442 2.429 -1.159 0.106 1.00 0.00 C ATOM 266 CG HIS A 442 2.878 -0.915 1.525 1.00 0.00 C ATOM 267 ND1 HIS A 442 3.842 0.022 1.910 1.00 0.00 N ATOM 268 CD2 HIS A 442 2.322 -1.464 2.643 1.00 0.00 C ATOM 269 CE1 HIS A 442 3.842 0.018 3.254 1.00 0.00 C ATOM 270 NE2 HIS A 442 2.950 -0.872 3.716 1.00 0.00 N ATOM 0 H HIS A 442 1.579 0.034 -2.247 1.00 0.00 H new ATOM 0 HA HIS A 442 0.378 -0.719 0.364 1.00 0.00 H new ATOM 0 HB2 HIS A 442 2.208 -2.218 -0.028 1.00 0.00 H new ATOM 0 HB3 HIS A 442 3.240 -0.913 -0.579 1.00 0.00 H new ATOM 0 HD2 HIS A 442 1.545 -2.213 2.679 1.00 0.00 H new ATOM 0 HE1 HIS A 442 4.470 0.642 3.873 1.00 0.00 H new ATOM 0 HE2 HIS A 442 2.768 -1.076 4.699 1.00 0.00 H new ATOM 278 N VAL A 443 0.841 1.648 1.148 1.00 0.00 N ATOM 279 CA VAL A 443 0.748 3.077 1.480 1.00 0.00 C ATOM 280 C VAL A 443 1.189 3.284 2.924 1.00 0.00 C ATOM 281 O VAL A 443 0.777 2.528 3.806 1.00 0.00 O ATOM 282 CB VAL A 443 -0.694 3.602 1.299 1.00 0.00 C ATOM 283 CG1 VAL A 443 -0.762 5.135 1.355 1.00 0.00 C ATOM 284 CG2 VAL A 443 -1.312 3.187 -0.039 1.00 0.00 C ATOM 0 H VAL A 443 0.429 1.046 1.861 1.00 0.00 H new ATOM 0 HA VAL A 443 1.398 3.633 0.804 1.00 0.00 H new ATOM 0 HB VAL A 443 -1.250 3.158 2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -1.795 5.458 1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -0.394 5.480 2.321 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -0.146 5.556 0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -2.325 3.584 -0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -0.709 3.582 -0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -1.343 2.099 -0.104 1.00 0.00 H new ATOM 294 N THR A 444 1.984 4.325 3.167 1.00 0.00 N ATOM 295 CA THR A 444 2.576 4.650 4.476 1.00 0.00 C ATOM 296 C THR A 444 2.225 6.089 4.849 1.00 0.00 C ATOM 297 O THR A 444 2.325 6.995 4.016 1.00 0.00 O ATOM 298 CB THR A 444 4.104 4.468 4.455 1.00 0.00 C ATOM 299 OG1 THR A 444 4.458 3.214 3.909 1.00 0.00 O ATOM 300 CG2 THR A 444 4.713 4.506 5.857 1.00 0.00 C ATOM 0 H THR A 444 2.246 4.990 2.439 1.00 0.00 H new ATOM 0 HA THR A 444 2.167 3.967 5.221 1.00 0.00 H new ATOM 0 HB THR A 444 4.485 5.293 3.852 1.00 0.00 H new ATOM 0 HG1 THR A 444 5.434 3.123 3.905 1.00 0.00 H new ATOM 0 HG21 THR A 444 5.793 4.373 5.788 1.00 0.00 H new ATOM 0 HG22 THR A 444 4.494 5.467 6.323 1.00 0.00 H new ATOM 0 HG23 THR A 444 4.287 3.705 6.461 1.00 0.00 H new ATOM 308 N PHE A 445 1.797 6.304 6.092 1.00 0.00 N ATOM 309 CA PHE A 445 1.197 7.561 6.556 1.00 0.00 C ATOM 310 C PHE A 445 1.322 7.746 8.088 1.00 0.00 C ATOM 311 O PHE A 445 1.460 6.758 8.819 1.00 0.00 O ATOM 312 CB PHE A 445 -0.291 7.555 6.138 1.00 0.00 C ATOM 313 CG PHE A 445 -1.016 6.231 6.359 1.00 0.00 C ATOM 314 CD1 PHE A 445 -1.333 5.805 7.662 1.00 0.00 C ATOM 315 CD2 PHE A 445 -1.303 5.383 5.269 1.00 0.00 C ATOM 316 CE1 PHE A 445 -1.895 4.537 7.880 1.00 0.00 C ATOM 317 CE2 PHE A 445 -1.879 4.118 5.484 1.00 0.00 C ATOM 318 CZ PHE A 445 -2.170 3.691 6.791 1.00 0.00 C ATOM 0 H PHE A 445 1.858 5.596 6.823 1.00 0.00 H new ATOM 0 HA PHE A 445 1.731 8.396 6.102 1.00 0.00 H new ATOM 0 HB2 PHE A 445 -0.812 8.335 6.693 1.00 0.00 H new ATOM 0 HB3 PHE A 445 -0.358 7.817 5.082 1.00 0.00 H new ATOM 0 HD1 PHE A 445 -1.143 6.458 8.501 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -1.079 5.707 4.263 1.00 0.00 H new ATOM 0 HE1 PHE A 445 -2.116 4.211 8.886 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -2.098 3.475 4.645 1.00 0.00 H new ATOM 0 HZ PHE A 445 -2.604 2.716 6.958 1.00 0.00 H new ATOM 328 N PRO A 446 1.263 8.990 8.608 1.00 0.00 N ATOM 329 CA PRO A 446 1.121 9.263 10.041 1.00 0.00 C ATOM 330 C PRO A 446 -0.109 8.566 10.646 1.00 0.00 C ATOM 331 O PRO A 446 -1.162 8.488 10.006 1.00 0.00 O ATOM 332 CB PRO A 446 0.989 10.788 10.161 1.00 0.00 C ATOM 333 CG PRO A 446 1.665 11.315 8.898 1.00 0.00 C ATOM 334 CD PRO A 446 1.367 10.233 7.864 1.00 0.00 C ATOM 0 HA PRO A 446 1.979 8.878 10.592 1.00 0.00 H new ATOM 0 HB2 PRO A 446 -0.055 11.096 10.213 1.00 0.00 H new ATOM 0 HB3 PRO A 446 1.477 11.162 11.061 1.00 0.00 H new ATOM 0 HG2 PRO A 446 1.259 12.281 8.598 1.00 0.00 H new ATOM 0 HG3 PRO A 446 2.737 11.450 9.042 1.00 0.00 H new ATOM 0 HD2 PRO A 446 0.441 10.447 7.330 1.00 0.00 H new ATOM 0 HD3 PRO A 446 2.160 10.177 7.118 1.00 0.00 H new ATOM 342 N LYS A 447 -0.012 8.117 11.904 1.00 0.00 N ATOM 343 CA LYS A 447 -1.091 7.403 12.625 1.00 0.00 C ATOM 344 C LYS A 447 -2.433 8.146 12.704 1.00 0.00 C ATOM 345 O LYS A 447 -3.481 7.519 12.861 1.00 0.00 O ATOM 346 CB LYS A 447 -0.602 6.986 14.023 1.00 0.00 C ATOM 347 CG LYS A 447 -0.277 8.167 14.955 1.00 0.00 C ATOM 348 CD LYS A 447 0.222 7.668 16.317 1.00 0.00 C ATOM 349 CE LYS A 447 0.538 8.858 17.230 1.00 0.00 C ATOM 350 NZ LYS A 447 1.029 8.410 18.558 1.00 0.00 N ATOM 0 H LYS A 447 0.831 8.238 12.465 1.00 0.00 H new ATOM 0 HA LYS A 447 -1.310 6.521 12.024 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -1.366 6.366 14.493 1.00 0.00 H new ATOM 0 HB3 LYS A 447 0.289 6.367 13.915 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.482 8.800 14.495 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -1.166 8.783 15.092 1.00 0.00 H new ATOM 0 HD2 LYS A 447 -0.534 7.035 16.781 1.00 0.00 H new ATOM 0 HD3 LYS A 447 1.113 7.055 16.184 1.00 0.00 H new ATOM 0 HE2 LYS A 447 1.289 9.491 16.758 1.00 0.00 H new ATOM 0 HE3 LYS A 447 -0.357 9.467 17.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 1.233 9.240 19.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 0.302 7.826 19.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 1.897 7.849 18.436 1.00 0.00 H new ATOM 364 N GLU A 448 -2.407 9.472 12.570 1.00 0.00 N ATOM 365 CA GLU A 448 -3.585 10.349 12.557 1.00 0.00 C ATOM 366 C GLU A 448 -4.494 10.175 11.321 1.00 0.00 C ATOM 367 O GLU A 448 -5.621 10.676 11.331 1.00 0.00 O ATOM 368 CB GLU A 448 -3.131 11.816 12.671 1.00 0.00 C ATOM 369 CG GLU A 448 -2.406 12.109 13.993 1.00 0.00 C ATOM 370 CD GLU A 448 -2.072 13.607 14.119 1.00 0.00 C ATOM 371 OE1 GLU A 448 -0.985 14.034 13.655 1.00 0.00 O ATOM 372 OE2 GLU A 448 -2.888 14.371 14.692 1.00 0.00 O ATOM 0 H GLU A 448 -1.533 9.987 12.463 1.00 0.00 H new ATOM 0 HA GLU A 448 -4.192 10.059 13.414 1.00 0.00 H new ATOM 0 HB2 GLU A 448 -2.470 12.054 11.838 1.00 0.00 H new ATOM 0 HB3 GLU A 448 -3.999 12.469 12.585 1.00 0.00 H new ATOM 0 HG2 GLU A 448 -3.031 11.800 14.831 1.00 0.00 H new ATOM 0 HG3 GLU A 448 -1.489 11.522 14.047 1.00 0.00 H new ATOM 379 N TRP A 449 -4.043 9.478 10.269 1.00 0.00 N ATOM 380 CA TRP A 449 -4.859 9.122 9.096 1.00 0.00 C ATOM 381 C TRP A 449 -5.931 8.062 9.405 1.00 0.00 C ATOM 382 O TRP A 449 -5.784 7.241 10.321 1.00 0.00 O ATOM 383 CB TRP A 449 -3.952 8.610 7.963 1.00 0.00 C ATOM 384 CG TRP A 449 -3.252 9.653 7.144 1.00 0.00 C ATOM 385 CD1 TRP A 449 -2.447 10.634 7.616 1.00 0.00 C ATOM 386 CD2 TRP A 449 -3.275 9.825 5.691 1.00 0.00 C ATOM 387 NE1 TRP A 449 -1.987 11.406 6.565 1.00 0.00 N ATOM 388 CE2 TRP A 449 -2.466 10.954 5.355 1.00 0.00 C ATOM 389 CE3 TRP A 449 -3.896 9.143 4.620 1.00 0.00 C ATOM 390 CZ2 TRP A 449 -2.295 11.390 4.034 1.00 0.00 C ATOM 391 CZ3 TRP A 449 -3.734 9.575 3.290 1.00 0.00 C ATOM 392 CH2 TRP A 449 -2.936 10.695 2.993 1.00 0.00 C ATOM 0 H TRP A 449 -3.083 9.139 10.207 1.00 0.00 H new ATOM 0 HA TRP A 449 -5.379 10.030 8.792 1.00 0.00 H new ATOM 0 HB2 TRP A 449 -3.197 7.956 8.399 1.00 0.00 H new ATOM 0 HB3 TRP A 449 -4.556 7.998 7.293 1.00 0.00 H new ATOM 0 HD1 TRP A 449 -2.201 10.790 8.656 1.00 0.00 H new ATOM 0 HE1 TRP A 449 -1.369 12.211 6.672 1.00 0.00 H new ATOM 0 HE3 TRP A 449 -4.505 8.275 4.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 449 -1.678 12.250 3.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 449 -4.227 9.042 2.490 1.00 0.00 H new ATOM 0 HH2 TRP A 449 -2.816 11.020 1.970 1.00 0.00 H new ATOM 403 N LYS A 450 -6.989 8.046 8.583 1.00 0.00 N ATOM 404 CA LYS A 450 -8.092 7.071 8.598 1.00 0.00 C ATOM 405 C LYS A 450 -8.389 6.527 7.193 1.00 0.00 C ATOM 406 O LYS A 450 -7.941 7.075 6.184 1.00 0.00 O ATOM 407 CB LYS A 450 -9.378 7.680 9.204 1.00 0.00 C ATOM 408 CG LYS A 450 -9.271 8.172 10.658 1.00 0.00 C ATOM 409 CD LYS A 450 -8.808 9.628 10.746 1.00 0.00 C ATOM 410 CE LYS A 450 -8.845 10.131 12.191 1.00 0.00 C ATOM 411 NZ LYS A 450 -8.203 11.465 12.299 1.00 0.00 N ATOM 0 H LYS A 450 -7.106 8.748 7.852 1.00 0.00 H new ATOM 0 HA LYS A 450 -7.767 6.243 9.227 1.00 0.00 H new ATOM 0 HB2 LYS A 450 -9.689 8.518 8.580 1.00 0.00 H new ATOM 0 HB3 LYS A 450 -10.170 6.933 9.152 1.00 0.00 H new ATOM 0 HG2 LYS A 450 -10.241 8.071 11.146 1.00 0.00 H new ATOM 0 HG3 LYS A 450 -8.573 7.537 11.203 1.00 0.00 H new ATOM 0 HD2 LYS A 450 -7.795 9.715 10.353 1.00 0.00 H new ATOM 0 HD3 LYS A 450 -9.447 10.254 10.123 1.00 0.00 H new ATOM 0 HE2 LYS A 450 -9.878 10.190 12.534 1.00 0.00 H new ATOM 0 HE3 LYS A 450 -8.333 9.422 12.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 450 -8.254 11.796 13.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 450 -7.207 11.396 12.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 450 -8.698 12.140 11.681 1.00 0.00 H new ATOM 425 N THR A 451 -9.229 5.495 7.127 1.00 0.00 N ATOM 426 CA THR A 451 -9.840 4.947 5.903 1.00 0.00 C ATOM 427 C THR A 451 -10.445 6.050 5.023 1.00 0.00 C ATOM 428 O THR A 451 -10.306 6.021 3.804 1.00 0.00 O ATOM 429 CB THR A 451 -10.945 3.942 6.281 1.00 0.00 C ATOM 430 OG1 THR A 451 -10.557 3.129 7.372 1.00 0.00 O ATOM 431 CG2 THR A 451 -11.316 3.001 5.140 1.00 0.00 C ATOM 0 H THR A 451 -9.520 4.989 7.963 1.00 0.00 H new ATOM 0 HA THR A 451 -9.053 4.452 5.335 1.00 0.00 H new ATOM 0 HB THR A 451 -11.804 4.562 6.537 1.00 0.00 H new ATOM 0 HG1 THR A 451 -11.280 2.504 7.588 1.00 0.00 H new ATOM 0 HG21 THR A 451 -12.099 2.319 5.471 1.00 0.00 H new ATOM 0 HG22 THR A 451 -11.676 3.582 4.291 1.00 0.00 H new ATOM 0 HG23 THR A 451 -10.438 2.428 4.841 1.00 0.00 H new ATOM 439 N SER A 452 -11.055 7.073 5.631 1.00 0.00 N ATOM 440 CA SER A 452 -11.592 8.245 4.927 1.00 0.00 C ATOM 441 C SER A 452 -10.527 9.064 4.189 1.00 0.00 C ATOM 442 O SER A 452 -10.722 9.417 3.026 1.00 0.00 O ATOM 443 CB SER A 452 -12.290 9.175 5.919 1.00 0.00 C ATOM 444 OG SER A 452 -13.406 8.528 6.512 1.00 0.00 O ATOM 0 H SER A 452 -11.192 7.112 6.641 1.00 0.00 H new ATOM 0 HA SER A 452 -12.285 7.849 4.185 1.00 0.00 H new ATOM 0 HB2 SER A 452 -11.587 9.482 6.694 1.00 0.00 H new ATOM 0 HB3 SER A 452 -12.617 10.081 5.408 1.00 0.00 H new ATOM 0 HG SER A 452 -13.839 9.138 7.145 1.00 0.00 H new ATOM 450 N ASP A 453 -9.384 9.341 4.826 1.00 0.00 N ATOM 451 CA ASP A 453 -8.252 10.034 4.189 1.00 0.00 C ATOM 452 C ASP A 453 -7.652 9.201 3.046 1.00 0.00 C ATOM 453 O ASP A 453 -7.173 9.747 2.053 1.00 0.00 O ATOM 454 CB ASP A 453 -7.150 10.340 5.212 1.00 0.00 C ATOM 455 CG ASP A 453 -7.646 11.191 6.387 1.00 0.00 C ATOM 456 OD1 ASP A 453 -7.912 12.402 6.198 1.00 0.00 O ATOM 457 OD2 ASP A 453 -7.758 10.638 7.506 1.00 0.00 O ATOM 0 H ASP A 453 -9.215 9.091 5.800 1.00 0.00 H new ATOM 0 HA ASP A 453 -8.642 10.967 3.781 1.00 0.00 H new ATOM 0 HB2 ASP A 453 -6.746 9.403 5.594 1.00 0.00 H new ATOM 0 HB3 ASP A 453 -6.332 10.860 4.713 1.00 0.00 H new ATOM 462 N LEU A 454 -7.722 7.873 3.164 1.00 0.00 N ATOM 463 CA LEU A 454 -7.253 6.935 2.137 1.00 0.00 C ATOM 464 C LEU A 454 -8.192 6.907 0.912 1.00 0.00 C ATOM 465 O LEU A 454 -7.730 7.058 -0.221 1.00 0.00 O ATOM 466 CB LEU A 454 -7.062 5.547 2.780 1.00 0.00 C ATOM 467 CG LEU A 454 -5.845 5.461 3.725 1.00 0.00 C ATOM 468 CD1 LEU A 454 -5.896 4.156 4.522 1.00 0.00 C ATOM 469 CD2 LEU A 454 -4.518 5.500 2.961 1.00 0.00 C ATOM 0 H LEU A 454 -8.111 7.411 3.986 1.00 0.00 H new ATOM 0 HA LEU A 454 -6.291 7.270 1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 454 -7.962 5.288 3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 454 -6.951 4.803 1.991 1.00 0.00 H new ATOM 0 HG LEU A 454 -5.895 6.326 4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 454 -5.034 4.102 5.187 1.00 0.00 H new ATOM 0 HD12 LEU A 454 -6.812 4.126 5.112 1.00 0.00 H new ATOM 0 HD13 LEU A 454 -5.878 3.310 3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 454 -3.690 5.437 3.667 1.00 0.00 H new ATOM 0 HD22 LEU A 454 -4.471 4.658 2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 454 -4.448 6.433 2.402 1.00 0.00 H new ATOM 481 N TYR A 455 -9.512 6.824 1.107 1.00 0.00 N ATOM 482 CA TYR A 455 -10.479 7.005 0.012 1.00 0.00 C ATOM 483 C TYR A 455 -10.408 8.408 -0.622 1.00 0.00 C ATOM 484 O TYR A 455 -10.600 8.536 -1.831 1.00 0.00 O ATOM 485 CB TYR A 455 -11.905 6.667 0.476 1.00 0.00 C ATOM 486 CG TYR A 455 -12.271 5.200 0.308 1.00 0.00 C ATOM 487 CD1 TYR A 455 -11.944 4.267 1.309 1.00 0.00 C ATOM 488 CD2 TYR A 455 -12.937 4.765 -0.857 1.00 0.00 C ATOM 489 CE1 TYR A 455 -12.281 2.908 1.157 1.00 0.00 C ATOM 490 CE2 TYR A 455 -13.278 3.405 -1.015 1.00 0.00 C ATOM 491 CZ TYR A 455 -12.946 2.471 -0.007 1.00 0.00 C ATOM 492 OH TYR A 455 -13.252 1.153 -0.148 1.00 0.00 O ATOM 0 H TYR A 455 -9.939 6.632 2.013 1.00 0.00 H new ATOM 0 HA TYR A 455 -10.201 6.302 -0.773 1.00 0.00 H new ATOM 0 HB2 TYR A 455 -12.010 6.941 1.526 1.00 0.00 H new ATOM 0 HB3 TYR A 455 -12.614 7.276 -0.085 1.00 0.00 H new ATOM 0 HD1 TYR A 455 -11.431 4.595 2.201 1.00 0.00 H new ATOM 0 HD2 TYR A 455 -13.187 5.476 -1.631 1.00 0.00 H new ATOM 0 HE1 TYR A 455 -12.030 2.200 1.933 1.00 0.00 H new ATOM 0 HE2 TYR A 455 -13.793 3.077 -1.906 1.00 0.00 H new ATOM 0 HH TYR A 455 -12.953 0.840 -1.027 1.00 0.00 H new ATOM 502 N GLN A 456 -10.071 9.453 0.145 1.00 0.00 N ATOM 503 CA GLN A 456 -9.818 10.804 -0.381 1.00 0.00 C ATOM 504 C GLN A 456 -8.514 10.891 -1.204 1.00 0.00 C ATOM 505 O GLN A 456 -8.473 11.594 -2.216 1.00 0.00 O ATOM 506 CB GLN A 456 -9.825 11.803 0.790 1.00 0.00 C ATOM 507 CG GLN A 456 -9.796 13.270 0.329 1.00 0.00 C ATOM 508 CD GLN A 456 -9.873 14.260 1.494 1.00 0.00 C ATOM 509 OE1 GLN A 456 -10.626 14.101 2.449 1.00 0.00 O ATOM 510 NE2 GLN A 456 -9.104 15.330 1.468 1.00 0.00 N ATOM 0 H GLN A 456 -9.965 9.386 1.157 1.00 0.00 H new ATOM 0 HA GLN A 456 -10.615 11.058 -1.080 1.00 0.00 H new ATOM 0 HB2 GLN A 456 -10.715 11.636 1.397 1.00 0.00 H new ATOM 0 HB3 GLN A 456 -8.963 11.612 1.429 1.00 0.00 H new ATOM 0 HG2 GLN A 456 -8.881 13.451 -0.235 1.00 0.00 H new ATOM 0 HG3 GLN A 456 -10.630 13.449 -0.350 1.00 0.00 H new ATOM 0 HE21 GLN A 456 -8.470 15.483 0.684 1.00 0.00 H new ATOM 0 HE22 GLN A 456 -9.143 16.005 2.232 1.00 0.00 H new ATOM 519 N LEU A 457 -7.461 10.158 -0.820 1.00 0.00 N ATOM 520 CA LEU A 457 -6.191 10.065 -1.556 1.00 0.00 C ATOM 521 C LEU A 457 -6.362 9.392 -2.933 1.00 0.00 C ATOM 522 O LEU A 457 -5.690 9.774 -3.894 1.00 0.00 O ATOM 523 CB LEU A 457 -5.165 9.325 -0.671 1.00 0.00 C ATOM 524 CG LEU A 457 -3.796 9.035 -1.318 1.00 0.00 C ATOM 525 CD1 LEU A 457 -3.069 10.308 -1.749 1.00 0.00 C ATOM 526 CD2 LEU A 457 -2.898 8.290 -0.328 1.00 0.00 C ATOM 0 H LEU A 457 -7.468 9.598 0.033 1.00 0.00 H new ATOM 0 HA LEU A 457 -5.826 11.070 -1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -5.000 9.915 0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -5.603 8.378 -0.356 1.00 0.00 H new ATOM 0 HG LEU A 457 -3.993 8.432 -2.204 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -2.111 10.046 -2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -3.676 10.845 -2.478 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -2.900 10.943 -0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -1.933 8.089 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -2.752 8.902 0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -3.369 7.348 -0.047 1.00 0.00 H new ATOM 538 N PHE A 458 -7.293 8.440 -3.046 1.00 0.00 N ATOM 539 CA PHE A 458 -7.491 7.619 -4.254 1.00 0.00 C ATOM 540 C PHE A 458 -8.833 7.845 -4.980 1.00 0.00 C ATOM 541 O PHE A 458 -9.193 7.074 -5.874 1.00 0.00 O ATOM 542 CB PHE A 458 -7.268 6.147 -3.884 1.00 0.00 C ATOM 543 CG PHE A 458 -5.862 5.835 -3.404 1.00 0.00 C ATOM 544 CD1 PHE A 458 -4.775 5.990 -4.284 1.00 0.00 C ATOM 545 CD2 PHE A 458 -5.629 5.405 -2.084 1.00 0.00 C ATOM 546 CE1 PHE A 458 -3.466 5.717 -3.850 1.00 0.00 C ATOM 547 CE2 PHE A 458 -4.319 5.150 -1.644 1.00 0.00 C ATOM 548 CZ PHE A 458 -3.237 5.301 -2.527 1.00 0.00 C ATOM 0 H PHE A 458 -7.942 8.211 -2.293 1.00 0.00 H new ATOM 0 HA PHE A 458 -6.754 7.939 -4.991 1.00 0.00 H new ATOM 0 HB2 PHE A 458 -7.977 5.868 -3.104 1.00 0.00 H new ATOM 0 HB3 PHE A 458 -7.490 5.527 -4.753 1.00 0.00 H new ATOM 0 HD1 PHE A 458 -4.947 6.320 -5.298 1.00 0.00 H new ATOM 0 HD2 PHE A 458 -6.460 5.271 -1.407 1.00 0.00 H new ATOM 0 HE1 PHE A 458 -2.637 5.827 -4.533 1.00 0.00 H new ATOM 0 HE2 PHE A 458 -4.144 4.837 -0.625 1.00 0.00 H new ATOM 0 HZ PHE A 458 -2.231 5.098 -2.190 1.00 0.00 H new ATOM 558 N SER A 459 -9.569 8.912 -4.652 1.00 0.00 N ATOM 559 CA SER A 459 -10.858 9.261 -5.280 1.00 0.00 C ATOM 560 C SER A 459 -10.793 9.433 -6.807 1.00 0.00 C ATOM 561 O SER A 459 -11.780 9.175 -7.501 1.00 0.00 O ATOM 562 CB SER A 459 -11.437 10.528 -4.638 1.00 0.00 C ATOM 563 OG SER A 459 -10.578 11.639 -4.850 1.00 0.00 O ATOM 0 H SER A 459 -9.284 9.573 -3.929 1.00 0.00 H new ATOM 0 HA SER A 459 -11.512 8.408 -5.099 1.00 0.00 H new ATOM 0 HB2 SER A 459 -12.420 10.737 -5.059 1.00 0.00 H new ATOM 0 HB3 SER A 459 -11.575 10.369 -3.569 1.00 0.00 H new ATOM 0 HG SER A 459 -10.966 12.437 -4.434 1.00 0.00 H new ATOM 569 N ALA A 460 -9.623 9.792 -7.350 1.00 0.00 N ATOM 570 CA ALA A 460 -9.351 9.893 -8.788 1.00 0.00 C ATOM 571 C ALA A 460 -9.555 8.575 -9.573 1.00 0.00 C ATOM 572 O ALA A 460 -9.787 8.611 -10.785 1.00 0.00 O ATOM 573 CB ALA A 460 -7.918 10.414 -8.960 1.00 0.00 C ATOM 0 H ALA A 460 -8.811 10.028 -6.779 1.00 0.00 H new ATOM 0 HA ALA A 460 -10.081 10.581 -9.215 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -7.687 10.500 -10.022 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -7.828 11.393 -8.489 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -7.220 9.720 -8.492 1.00 0.00 H new ATOM 579 N PHE A 461 -9.506 7.418 -8.899 1.00 0.00 N ATOM 580 CA PHE A 461 -9.742 6.092 -9.490 1.00 0.00 C ATOM 581 C PHE A 461 -11.205 5.615 -9.379 1.00 0.00 C ATOM 582 O PHE A 461 -11.542 4.539 -9.880 1.00 0.00 O ATOM 583 CB PHE A 461 -8.777 5.085 -8.840 1.00 0.00 C ATOM 584 CG PHE A 461 -7.295 5.398 -8.994 1.00 0.00 C ATOM 585 CD1 PHE A 461 -6.774 5.896 -10.208 1.00 0.00 C ATOM 586 CD2 PHE A 461 -6.420 5.162 -7.916 1.00 0.00 C ATOM 587 CE1 PHE A 461 -5.401 6.170 -10.334 1.00 0.00 C ATOM 588 CE2 PHE A 461 -5.044 5.415 -8.049 1.00 0.00 C ATOM 589 CZ PHE A 461 -4.534 5.928 -9.254 1.00 0.00 C ATOM 0 H PHE A 461 -9.296 7.376 -7.902 1.00 0.00 H new ATOM 0 HA PHE A 461 -9.550 6.166 -10.560 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -9.008 5.023 -7.777 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -8.968 4.100 -9.266 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -7.434 6.068 -11.045 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -6.809 4.784 -6.982 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -5.012 6.566 -11.260 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.377 5.215 -7.223 1.00 0.00 H new ATOM 0 HZ PHE A 461 -3.479 6.136 -9.350 1.00 0.00 H new ATOM 599 N GLY A 462 -12.081 6.395 -8.736 1.00 0.00 N ATOM 600 CA GLY A 462 -13.514 6.122 -8.565 1.00 0.00 C ATOM 601 C GLY A 462 -13.835 5.107 -7.458 1.00 0.00 C ATOM 602 O GLY A 462 -14.712 5.359 -6.627 1.00 0.00 O ATOM 0 H GLY A 462 -11.799 7.273 -8.301 1.00 0.00 H new ATOM 0 HA2 GLY A 462 -14.027 7.058 -8.344 1.00 0.00 H new ATOM 0 HA3 GLY A 462 -13.917 5.753 -9.508 1.00 0.00 H new ATOM 606 N ASN A 463 -13.099 3.992 -7.403 1.00 0.00 N ATOM 607 CA ASN A 463 -13.238 2.925 -6.408 1.00 0.00 C ATOM 608 C ASN A 463 -11.871 2.295 -6.062 1.00 0.00 C ATOM 609 O ASN A 463 -10.965 2.240 -6.898 1.00 0.00 O ATOM 610 CB ASN A 463 -14.194 1.841 -6.950 1.00 0.00 C ATOM 611 CG ASN A 463 -15.628 2.315 -7.116 1.00 0.00 C ATOM 612 OD1 ASN A 463 -16.061 2.713 -8.190 1.00 0.00 O ATOM 613 ND2 ASN A 463 -16.423 2.274 -6.068 1.00 0.00 N ATOM 0 H ASN A 463 -12.360 3.801 -8.079 1.00 0.00 H new ATOM 0 HA ASN A 463 -13.647 3.358 -5.495 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -13.823 1.491 -7.913 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -14.180 0.986 -6.274 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -17.395 2.573 -6.153 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -16.068 1.943 -5.171 1.00 0.00 H new ATOM 620 N ILE A 464 -11.759 1.787 -4.831 1.00 0.00 N ATOM 621 CA ILE A 464 -10.623 1.023 -4.279 1.00 0.00 C ATOM 622 C ILE A 464 -11.121 0.013 -3.222 1.00 0.00 C ATOM 623 O ILE A 464 -12.313 -0.025 -2.900 1.00 0.00 O ATOM 624 CB ILE A 464 -9.560 1.962 -3.643 1.00 0.00 C ATOM 625 CG1 ILE A 464 -10.147 2.847 -2.519 1.00 0.00 C ATOM 626 CG2 ILE A 464 -8.840 2.819 -4.696 1.00 0.00 C ATOM 627 CD1 ILE A 464 -9.081 3.402 -1.571 1.00 0.00 C ATOM 0 H ILE A 464 -12.505 1.903 -4.145 1.00 0.00 H new ATOM 0 HA ILE A 464 -10.155 0.487 -5.104 1.00 0.00 H new ATOM 0 HB ILE A 464 -8.819 1.307 -3.185 1.00 0.00 H new ATOM 0 HG12 ILE A 464 -10.694 3.677 -2.967 1.00 0.00 H new ATOM 0 HG13 ILE A 464 -10.867 2.264 -1.945 1.00 0.00 H new ATOM 0 HG21 ILE A 464 -8.107 3.459 -4.205 1.00 0.00 H new ATOM 0 HG22 ILE A 464 -8.334 2.169 -5.410 1.00 0.00 H new ATOM 0 HG23 ILE A 464 -9.568 3.438 -5.221 1.00 0.00 H new ATOM 0 HD11 ILE A 464 -9.558 4.014 -0.806 1.00 0.00 H new ATOM 0 HD12 ILE A 464 -8.550 2.576 -1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 464 -8.374 4.011 -2.135 1.00 0.00 H new ATOM 639 N GLN A 465 -10.208 -0.771 -2.645 1.00 0.00 N ATOM 640 CA GLN A 465 -10.437 -1.602 -1.455 1.00 0.00 C ATOM 641 C GLN A 465 -9.177 -1.571 -0.572 1.00 0.00 C ATOM 642 O GLN A 465 -8.065 -1.519 -1.100 1.00 0.00 O ATOM 643 CB GLN A 465 -10.803 -3.037 -1.879 1.00 0.00 C ATOM 644 CG GLN A 465 -11.516 -3.811 -0.758 1.00 0.00 C ATOM 645 CD GLN A 465 -11.964 -5.211 -1.189 1.00 0.00 C ATOM 646 OE1 GLN A 465 -11.380 -5.861 -2.048 1.00 0.00 O ATOM 647 NE2 GLN A 465 -13.023 -5.737 -0.608 1.00 0.00 N ATOM 0 H GLN A 465 -9.256 -0.849 -3.003 1.00 0.00 H new ATOM 0 HA GLN A 465 -11.273 -1.210 -0.875 1.00 0.00 H new ATOM 0 HB2 GLN A 465 -11.446 -3.001 -2.759 1.00 0.00 H new ATOM 0 HB3 GLN A 465 -9.897 -3.571 -2.167 1.00 0.00 H new ATOM 0 HG2 GLN A 465 -10.847 -3.897 0.099 1.00 0.00 H new ATOM 0 HG3 GLN A 465 -12.386 -3.243 -0.428 1.00 0.00 H new ATOM 0 HE21 GLN A 465 -13.524 -5.213 0.110 1.00 0.00 H new ATOM 0 HE22 GLN A 465 -13.342 -6.668 -0.876 1.00 0.00 H new ATOM 656 N ILE A 466 -9.325 -1.596 0.758 1.00 0.00 N ATOM 657 CA ILE A 466 -8.226 -1.350 1.714 1.00 0.00 C ATOM 658 C ILE A 466 -8.075 -2.534 2.679 1.00 0.00 C ATOM 659 O ILE A 466 -9.064 -3.053 3.205 1.00 0.00 O ATOM 660 CB ILE A 466 -8.454 -0.015 2.478 1.00 0.00 C ATOM 661 CG1 ILE A 466 -8.569 1.169 1.485 1.00 0.00 C ATOM 662 CG2 ILE A 466 -7.325 0.241 3.501 1.00 0.00 C ATOM 663 CD1 ILE A 466 -8.849 2.529 2.135 1.00 0.00 C ATOM 0 H ILE A 466 -10.218 -1.789 1.211 1.00 0.00 H new ATOM 0 HA ILE A 466 -7.294 -1.257 1.157 1.00 0.00 H new ATOM 0 HB ILE A 466 -9.392 -0.098 3.027 1.00 0.00 H new ATOM 0 HG12 ILE A 466 -7.642 1.238 0.915 1.00 0.00 H new ATOM 0 HG13 ILE A 466 -9.365 0.952 0.773 1.00 0.00 H new ATOM 0 HG21 ILE A 466 -7.511 1.181 4.020 1.00 0.00 H new ATOM 0 HG22 ILE A 466 -7.298 -0.574 4.224 1.00 0.00 H new ATOM 0 HG23 ILE A 466 -6.369 0.296 2.981 1.00 0.00 H new ATOM 0 HD11 ILE A 466 -8.913 3.295 1.362 1.00 0.00 H new ATOM 0 HD12 ILE A 466 -9.792 2.484 2.680 1.00 0.00 H new ATOM 0 HD13 ILE A 466 -8.042 2.776 2.825 1.00 0.00 H new ATOM 675 N SER A 467 -6.824 -2.922 2.940 1.00 0.00 N ATOM 676 CA SER A 467 -6.425 -4.004 3.842 1.00 0.00 C ATOM 677 C SER A 467 -5.256 -3.546 4.723 1.00 0.00 C ATOM 678 O SER A 467 -4.094 -3.579 4.311 1.00 0.00 O ATOM 679 CB SER A 467 -6.035 -5.244 3.026 1.00 0.00 C ATOM 680 OG SER A 467 -7.154 -5.801 2.350 1.00 0.00 O ATOM 0 H SER A 467 -6.022 -2.466 2.505 1.00 0.00 H new ATOM 0 HA SER A 467 -7.264 -4.263 4.488 1.00 0.00 H new ATOM 0 HB2 SER A 467 -5.268 -4.975 2.300 1.00 0.00 H new ATOM 0 HB3 SER A 467 -5.600 -5.993 3.688 1.00 0.00 H new ATOM 0 HG SER A 467 -6.869 -6.587 1.839 1.00 0.00 H new ATOM 686 N TRP A 468 -5.563 -3.069 5.932 1.00 0.00 N ATOM 687 CA TRP A 468 -4.568 -2.621 6.915 1.00 0.00 C ATOM 688 C TRP A 468 -3.567 -3.719 7.308 1.00 0.00 C ATOM 689 O TRP A 468 -3.906 -4.907 7.332 1.00 0.00 O ATOM 690 CB TRP A 468 -5.271 -2.139 8.185 1.00 0.00 C ATOM 691 CG TRP A 468 -6.204 -0.975 8.041 1.00 0.00 C ATOM 692 CD1 TRP A 468 -7.536 -1.059 7.835 1.00 0.00 C ATOM 693 CD2 TRP A 468 -5.920 0.446 8.214 1.00 0.00 C ATOM 694 NE1 TRP A 468 -8.079 0.211 7.766 1.00 0.00 N ATOM 695 CE2 TRP A 468 -7.127 1.179 8.007 1.00 0.00 C ATOM 696 CE3 TRP A 468 -4.777 1.186 8.581 1.00 0.00 C ATOM 697 CZ2 TRP A 468 -7.183 2.577 8.103 1.00 0.00 C ATOM 698 CZ3 TRP A 468 -4.835 2.586 8.717 1.00 0.00 C ATOM 699 CH2 TRP A 468 -6.024 3.287 8.453 1.00 0.00 C ATOM 0 H TRP A 468 -6.524 -2.981 6.262 1.00 0.00 H new ATOM 0 HA TRP A 468 -4.012 -1.814 6.438 1.00 0.00 H new ATOM 0 HB2 TRP A 468 -5.833 -2.975 8.600 1.00 0.00 H new ATOM 0 HB3 TRP A 468 -4.507 -1.874 8.916 1.00 0.00 H new ATOM 0 HD1 TRP A 468 -8.093 -1.979 7.739 1.00 0.00 H new ATOM 0 HE1 TRP A 468 -9.059 0.407 7.563 1.00 0.00 H new ATOM 0 HE3 TRP A 468 -3.844 0.672 8.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 468 -8.107 3.101 7.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 468 -3.954 3.128 9.028 1.00 0.00 H new ATOM 0 HH2 TRP A 468 -6.046 4.365 8.519 1.00 0.00 H new ATOM 710 N ILE A 469 -2.358 -3.303 7.701 1.00 0.00 N ATOM 711 CA ILE A 469 -1.316 -4.174 8.266 1.00 0.00 C ATOM 712 C ILE A 469 -0.634 -3.586 9.513 1.00 0.00 C ATOM 713 O ILE A 469 -0.084 -4.340 10.318 1.00 0.00 O ATOM 714 CB ILE A 469 -0.267 -4.541 7.197 1.00 0.00 C ATOM 715 CG1 ILE A 469 0.382 -3.311 6.527 1.00 0.00 C ATOM 716 CG2 ILE A 469 -0.882 -5.488 6.156 1.00 0.00 C ATOM 717 CD1 ILE A 469 1.552 -3.672 5.609 1.00 0.00 C ATOM 0 H ILE A 469 -2.068 -2.327 7.634 1.00 0.00 H new ATOM 0 HA ILE A 469 -1.827 -5.079 8.594 1.00 0.00 H new ATOM 0 HB ILE A 469 0.545 -5.055 7.712 1.00 0.00 H new ATOM 0 HG12 ILE A 469 -0.374 -2.779 5.949 1.00 0.00 H new ATOM 0 HG13 ILE A 469 0.733 -2.627 7.300 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -0.132 -5.740 5.406 1.00 0.00 H new ATOM 0 HG22 ILE A 469 -1.223 -6.398 6.649 1.00 0.00 H new ATOM 0 HG23 ILE A 469 -1.728 -4.998 5.673 1.00 0.00 H new ATOM 0 HD11 ILE A 469 1.964 -2.763 5.170 1.00 0.00 H new ATOM 0 HD12 ILE A 469 2.325 -4.178 6.187 1.00 0.00 H new ATOM 0 HD13 ILE A 469 1.202 -4.332 4.816 1.00 0.00 H new ATOM 729 N ASP A 470 -0.699 -2.267 9.715 1.00 0.00 N ATOM 730 CA ASP A 470 -0.218 -1.582 10.923 1.00 0.00 C ATOM 731 C ASP A 470 -0.977 -0.261 11.170 1.00 0.00 C ATOM 732 O ASP A 470 -1.776 0.195 10.350 1.00 0.00 O ATOM 733 CB ASP A 470 1.300 -1.330 10.787 1.00 0.00 C ATOM 734 CG ASP A 470 2.061 -1.128 12.114 1.00 0.00 C ATOM 735 OD1 ASP A 470 1.452 -1.198 13.208 1.00 0.00 O ATOM 736 OD2 ASP A 470 3.296 -0.914 12.063 1.00 0.00 O ATOM 0 H ASP A 470 -1.097 -1.628 9.027 1.00 0.00 H new ATOM 0 HA ASP A 470 -0.407 -2.219 11.787 1.00 0.00 H new ATOM 0 HB2 ASP A 470 1.745 -2.173 10.258 1.00 0.00 H new ATOM 0 HB3 ASP A 470 1.450 -0.448 10.164 1.00 0.00 H new ATOM 741 N ASP A 471 -0.677 0.390 12.291 1.00 0.00 N ATOM 742 CA ASP A 471 -1.185 1.715 12.679 1.00 0.00 C ATOM 743 C ASP A 471 -0.720 2.856 11.740 1.00 0.00 C ATOM 744 O ASP A 471 -1.262 3.960 11.781 1.00 0.00 O ATOM 745 CB ASP A 471 -0.734 1.973 14.125 1.00 0.00 C ATOM 746 CG ASP A 471 -1.310 3.255 14.745 1.00 0.00 C ATOM 747 OD1 ASP A 471 -2.517 3.543 14.546 1.00 0.00 O ATOM 748 OD2 ASP A 471 -0.572 3.938 15.493 1.00 0.00 O ATOM 0 H ASP A 471 -0.046 -0.004 12.989 1.00 0.00 H new ATOM 0 HA ASP A 471 -2.272 1.711 12.597 1.00 0.00 H new ATOM 0 HB2 ASP A 471 -1.024 1.122 14.742 1.00 0.00 H new ATOM 0 HB3 ASP A 471 0.354 2.028 14.150 1.00 0.00 H new ATOM 753 N THR A 472 0.272 2.597 10.881 1.00 0.00 N ATOM 754 CA THR A 472 0.929 3.584 10.001 1.00 0.00 C ATOM 755 C THR A 472 1.107 3.106 8.553 1.00 0.00 C ATOM 756 O THR A 472 1.675 3.836 7.736 1.00 0.00 O ATOM 757 CB THR A 472 2.298 4.000 10.571 1.00 0.00 C ATOM 758 OG1 THR A 472 3.099 2.855 10.803 1.00 0.00 O ATOM 759 CG2 THR A 472 2.168 4.760 11.893 1.00 0.00 C ATOM 0 H THR A 472 0.658 1.659 10.771 1.00 0.00 H new ATOM 0 HA THR A 472 0.254 4.440 9.973 1.00 0.00 H new ATOM 0 HB THR A 472 2.758 4.655 9.831 1.00 0.00 H new ATOM 0 HG1 THR A 472 3.967 3.131 11.164 1.00 0.00 H new ATOM 0 HG21 THR A 472 3.159 5.032 12.255 1.00 0.00 H new ATOM 0 HG22 THR A 472 1.578 5.663 11.737 1.00 0.00 H new ATOM 0 HG23 THR A 472 1.674 4.127 12.630 1.00 0.00 H new ATOM 767 N SER A 473 0.616 1.909 8.192 1.00 0.00 N ATOM 768 CA SER A 473 0.580 1.463 6.792 1.00 0.00 C ATOM 769 C SER A 473 -0.501 0.417 6.474 1.00 0.00 C ATOM 770 O SER A 473 -0.998 -0.301 7.349 1.00 0.00 O ATOM 771 CB SER A 473 1.962 0.977 6.329 1.00 0.00 C ATOM 772 OG SER A 473 2.304 -0.300 6.841 1.00 0.00 O ATOM 0 H SER A 473 0.238 1.232 8.854 1.00 0.00 H new ATOM 0 HA SER A 473 0.298 2.349 6.224 1.00 0.00 H new ATOM 0 HB2 SER A 473 1.982 0.942 5.240 1.00 0.00 H new ATOM 0 HB3 SER A 473 2.717 1.700 6.639 1.00 0.00 H new ATOM 0 HG SER A 473 3.246 -0.489 6.647 1.00 0.00 H new ATOM 778 N ALA A 474 -0.875 0.345 5.194 1.00 0.00 N ATOM 779 CA ALA A 474 -1.940 -0.510 4.665 1.00 0.00 C ATOM 780 C ALA A 474 -1.706 -0.867 3.185 1.00 0.00 C ATOM 781 O ALA A 474 -1.031 -0.134 2.457 1.00 0.00 O ATOM 782 CB ALA A 474 -3.274 0.239 4.816 1.00 0.00 C ATOM 0 H ALA A 474 -0.426 0.904 4.469 1.00 0.00 H new ATOM 0 HA ALA A 474 -1.953 -1.446 5.224 1.00 0.00 H new ATOM 0 HB1 ALA A 474 -4.084 -0.379 4.428 1.00 0.00 H new ATOM 0 HB2 ALA A 474 -3.454 0.453 5.869 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -3.231 1.174 4.258 1.00 0.00 H new ATOM 788 N PHE A 475 -2.303 -1.970 2.726 1.00 0.00 N ATOM 789 CA PHE A 475 -2.395 -2.306 1.303 1.00 0.00 C ATOM 790 C PHE A 475 -3.676 -1.711 0.700 1.00 0.00 C ATOM 791 O PHE A 475 -4.700 -1.609 1.384 1.00 0.00 O ATOM 792 CB PHE A 475 -2.395 -3.829 1.104 1.00 0.00 C ATOM 793 CG PHE A 475 -1.119 -4.538 1.515 1.00 0.00 C ATOM 794 CD1 PHE A 475 0.107 -4.189 0.917 1.00 0.00 C ATOM 795 CD2 PHE A 475 -1.164 -5.587 2.454 1.00 0.00 C ATOM 796 CE1 PHE A 475 1.287 -4.867 1.275 1.00 0.00 C ATOM 797 CE2 PHE A 475 0.011 -6.281 2.791 1.00 0.00 C ATOM 798 CZ PHE A 475 1.237 -5.915 2.210 1.00 0.00 C ATOM 0 H PHE A 475 -2.740 -2.661 3.337 1.00 0.00 H new ATOM 0 HA PHE A 475 -1.527 -1.884 0.797 1.00 0.00 H new ATOM 0 HB2 PHE A 475 -3.225 -4.252 1.670 1.00 0.00 H new ATOM 0 HB3 PHE A 475 -2.586 -4.041 0.052 1.00 0.00 H new ATOM 0 HD1 PHE A 475 0.142 -3.399 0.182 1.00 0.00 H new ATOM 0 HD2 PHE A 475 -2.102 -5.858 2.915 1.00 0.00 H new ATOM 0 HE1 PHE A 475 2.230 -4.582 0.832 1.00 0.00 H new ATOM 0 HE2 PHE A 475 -0.029 -7.097 3.498 1.00 0.00 H new ATOM 0 HZ PHE A 475 2.141 -6.439 2.482 1.00 0.00 H new ATOM 808 N VAL A 476 -3.641 -1.360 -0.590 1.00 0.00 N ATOM 809 CA VAL A 476 -4.778 -0.766 -1.317 1.00 0.00 C ATOM 810 C VAL A 476 -4.900 -1.376 -2.715 1.00 0.00 C ATOM 811 O VAL A 476 -4.060 -1.151 -3.587 1.00 0.00 O ATOM 812 CB VAL A 476 -4.681 0.776 -1.388 1.00 0.00 C ATOM 813 CG1 VAL A 476 -5.928 1.368 -2.056 1.00 0.00 C ATOM 814 CG2 VAL A 476 -4.560 1.412 0.005 1.00 0.00 C ATOM 0 H VAL A 476 -2.811 -1.481 -1.171 1.00 0.00 H new ATOM 0 HA VAL A 476 -5.683 -1.001 -0.757 1.00 0.00 H new ATOM 0 HB VAL A 476 -3.786 0.997 -1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -5.839 2.454 -2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -6.020 0.974 -3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -6.813 1.097 -1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -4.495 2.496 -0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -5.436 1.154 0.600 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -3.663 1.038 0.499 1.00 0.00 H new ATOM 824 N SER A 477 -5.960 -2.153 -2.929 1.00 0.00 N ATOM 825 CA SER A 477 -6.372 -2.688 -4.233 1.00 0.00 C ATOM 826 C SER A 477 -7.035 -1.604 -5.088 1.00 0.00 C ATOM 827 O SER A 477 -7.869 -0.844 -4.590 1.00 0.00 O ATOM 828 CB SER A 477 -7.400 -3.803 -4.022 1.00 0.00 C ATOM 829 OG SER A 477 -6.799 -4.944 -3.433 1.00 0.00 O ATOM 0 H SER A 477 -6.581 -2.440 -2.173 1.00 0.00 H new ATOM 0 HA SER A 477 -5.481 -3.060 -4.739 1.00 0.00 H new ATOM 0 HB2 SER A 477 -8.207 -3.442 -3.384 1.00 0.00 H new ATOM 0 HB3 SER A 477 -7.847 -4.076 -4.978 1.00 0.00 H new ATOM 0 HG SER A 477 -7.476 -5.642 -3.307 1.00 0.00 H new ATOM 835 N LEU A 478 -6.723 -1.580 -6.386 1.00 0.00 N ATOM 836 CA LEU A 478 -7.285 -0.649 -7.375 1.00 0.00 C ATOM 837 C LEU A 478 -8.161 -1.385 -8.407 1.00 0.00 C ATOM 838 O LEU A 478 -8.025 -2.596 -8.601 1.00 0.00 O ATOM 839 CB LEU A 478 -6.134 0.094 -8.081 1.00 0.00 C ATOM 840 CG LEU A 478 -5.101 0.779 -7.165 1.00 0.00 C ATOM 841 CD1 LEU A 478 -4.099 1.525 -8.039 1.00 0.00 C ATOM 842 CD2 LEU A 478 -5.731 1.783 -6.202 1.00 0.00 C ATOM 0 H LEU A 478 -6.050 -2.229 -6.794 1.00 0.00 H new ATOM 0 HA LEU A 478 -7.923 0.067 -6.857 1.00 0.00 H new ATOM 0 HB2 LEU A 478 -5.608 -0.617 -8.719 1.00 0.00 H new ATOM 0 HB3 LEU A 478 -6.566 0.851 -8.736 1.00 0.00 H new ATOM 0 HG LEU A 478 -4.628 -0.001 -6.568 1.00 0.00 H new ATOM 0 HD11 LEU A 478 -3.360 2.016 -7.407 1.00 0.00 H new ATOM 0 HD12 LEU A 478 -3.598 0.819 -8.702 1.00 0.00 H new ATOM 0 HD13 LEU A 478 -4.622 2.273 -8.634 1.00 0.00 H new ATOM 0 HD21 LEU A 478 -4.953 2.232 -5.584 1.00 0.00 H new ATOM 0 HD22 LEU A 478 -6.238 2.563 -6.770 1.00 0.00 H new ATOM 0 HD23 LEU A 478 -6.452 1.272 -5.564 1.00 0.00 H new ATOM 854 N SER A 479 -9.050 -0.659 -9.092 1.00 0.00 N ATOM 855 CA SER A 479 -9.982 -1.229 -10.083 1.00 0.00 C ATOM 856 C SER A 479 -9.305 -1.778 -11.349 1.00 0.00 C ATOM 857 O SER A 479 -9.854 -2.689 -11.974 1.00 0.00 O ATOM 858 CB SER A 479 -11.030 -0.190 -10.501 1.00 0.00 C ATOM 859 OG SER A 479 -11.843 0.177 -9.396 1.00 0.00 O ATOM 0 H SER A 479 -9.148 0.350 -8.977 1.00 0.00 H new ATOM 0 HA SER A 479 -10.447 -2.074 -9.576 1.00 0.00 H new ATOM 0 HB2 SER A 479 -10.533 0.693 -10.902 1.00 0.00 H new ATOM 0 HB3 SER A 479 -11.653 -0.595 -11.298 1.00 0.00 H new ATOM 0 HG SER A 479 -12.504 0.842 -9.683 1.00 0.00 H new ATOM 865 N GLN A 480 -8.126 -1.269 -11.729 1.00 0.00 N ATOM 866 CA GLN A 480 -7.328 -1.752 -12.870 1.00 0.00 C ATOM 867 C GLN A 480 -5.812 -1.702 -12.575 1.00 0.00 C ATOM 868 O GLN A 480 -5.358 -0.769 -11.905 1.00 0.00 O ATOM 869 CB GLN A 480 -7.620 -0.899 -14.123 1.00 0.00 C ATOM 870 CG GLN A 480 -8.997 -1.126 -14.767 1.00 0.00 C ATOM 871 CD GLN A 480 -9.134 -2.506 -15.412 1.00 0.00 C ATOM 872 OE1 GLN A 480 -8.770 -2.726 -16.561 1.00 0.00 O ATOM 873 NE2 GLN A 480 -9.657 -3.490 -14.711 1.00 0.00 N ATOM 0 H GLN A 480 -7.687 -0.489 -11.240 1.00 0.00 H new ATOM 0 HA GLN A 480 -7.613 -2.790 -13.044 1.00 0.00 H new ATOM 0 HB2 GLN A 480 -7.532 0.154 -13.854 1.00 0.00 H new ATOM 0 HB3 GLN A 480 -6.851 -1.103 -14.868 1.00 0.00 H new ATOM 0 HG2 GLN A 480 -9.771 -1.007 -14.009 1.00 0.00 H new ATOM 0 HG3 GLN A 480 -9.170 -0.359 -15.522 1.00 0.00 H new ATOM 0 HE21 GLN A 480 -9.966 -3.326 -13.753 1.00 0.00 H new ATOM 0 HE22 GLN A 480 -9.753 -4.417 -15.126 1.00 0.00 H new ATOM 882 N PRO A 481 -4.999 -2.638 -13.116 1.00 0.00 N ATOM 883 CA PRO A 481 -3.533 -2.612 -13.008 1.00 0.00 C ATOM 884 C PRO A 481 -2.875 -1.314 -13.503 1.00 0.00 C ATOM 885 O PRO A 481 -1.870 -0.876 -12.948 1.00 0.00 O ATOM 886 CB PRO A 481 -3.034 -3.804 -13.834 1.00 0.00 C ATOM 887 CG PRO A 481 -4.218 -4.763 -13.834 1.00 0.00 C ATOM 888 CD PRO A 481 -5.422 -3.828 -13.845 1.00 0.00 C ATOM 0 HA PRO A 481 -3.258 -2.668 -11.955 1.00 0.00 H new ATOM 0 HB2 PRO A 481 -2.761 -3.504 -14.846 1.00 0.00 H new ATOM 0 HB3 PRO A 481 -2.150 -4.259 -13.387 1.00 0.00 H new ATOM 0 HG2 PRO A 481 -4.207 -5.416 -14.706 1.00 0.00 H new ATOM 0 HG3 PRO A 481 -4.215 -5.406 -12.954 1.00 0.00 H new ATOM 0 HD2 PRO A 481 -5.716 -3.579 -14.865 1.00 0.00 H new ATOM 0 HD3 PRO A 481 -6.285 -4.294 -13.369 1.00 0.00 H new ATOM 896 N GLU A 482 -3.441 -0.663 -14.523 1.00 0.00 N ATOM 897 CA GLU A 482 -2.919 0.602 -15.073 1.00 0.00 C ATOM 898 C GLU A 482 -2.918 1.754 -14.049 1.00 0.00 C ATOM 899 O GLU A 482 -2.050 2.628 -14.092 1.00 0.00 O ATOM 900 CB GLU A 482 -3.728 1.012 -16.315 1.00 0.00 C ATOM 901 CG GLU A 482 -3.586 0.010 -17.470 1.00 0.00 C ATOM 902 CD GLU A 482 -4.307 0.516 -18.734 1.00 0.00 C ATOM 903 OE1 GLU A 482 -5.529 0.264 -18.886 1.00 0.00 O ATOM 904 OE2 GLU A 482 -3.659 1.165 -19.592 1.00 0.00 O ATOM 0 H GLU A 482 -4.280 -0.997 -14.997 1.00 0.00 H new ATOM 0 HA GLU A 482 -1.880 0.417 -15.344 1.00 0.00 H new ATOM 0 HB2 GLU A 482 -4.780 1.103 -16.045 1.00 0.00 H new ATOM 0 HB3 GLU A 482 -3.399 1.996 -16.650 1.00 0.00 H new ATOM 0 HG2 GLU A 482 -2.530 -0.150 -17.689 1.00 0.00 H new ATOM 0 HG3 GLU A 482 -4.000 -0.954 -17.173 1.00 0.00 H new ATOM 911 N GLN A 483 -3.851 1.739 -13.091 1.00 0.00 N ATOM 912 CA GLN A 483 -3.953 2.743 -12.023 1.00 0.00 C ATOM 913 C GLN A 483 -2.785 2.660 -11.022 1.00 0.00 C ATOM 914 O GLN A 483 -2.419 3.668 -10.413 1.00 0.00 O ATOM 915 CB GLN A 483 -5.309 2.589 -11.311 1.00 0.00 C ATOM 916 CG GLN A 483 -6.502 2.830 -12.257 1.00 0.00 C ATOM 917 CD GLN A 483 -7.859 2.583 -11.596 1.00 0.00 C ATOM 918 OE1 GLN A 483 -8.038 1.702 -10.767 1.00 0.00 O ATOM 919 NE2 GLN A 483 -8.880 3.332 -11.956 1.00 0.00 N ATOM 0 H GLN A 483 -4.569 1.017 -13.034 1.00 0.00 H new ATOM 0 HA GLN A 483 -3.890 3.731 -12.478 1.00 0.00 H new ATOM 0 HB2 GLN A 483 -5.382 1.587 -10.887 1.00 0.00 H new ATOM 0 HB3 GLN A 483 -5.361 3.292 -10.479 1.00 0.00 H new ATOM 0 HG2 GLN A 483 -6.465 3.856 -12.622 1.00 0.00 H new ATOM 0 HG3 GLN A 483 -6.405 2.179 -13.126 1.00 0.00 H new ATOM 0 HE21 GLN A 483 -8.751 4.072 -12.646 1.00 0.00 H new ATOM 0 HE22 GLN A 483 -9.800 3.172 -11.545 1.00 0.00 H new ATOM 928 N VAL A 484 -2.143 1.489 -10.890 1.00 0.00 N ATOM 929 CA VAL A 484 -0.955 1.285 -10.039 1.00 0.00 C ATOM 930 C VAL A 484 0.209 2.152 -10.525 1.00 0.00 C ATOM 931 O VAL A 484 0.862 2.821 -9.725 1.00 0.00 O ATOM 932 CB VAL A 484 -0.548 -0.206 -10.009 1.00 0.00 C ATOM 933 CG1 VAL A 484 0.685 -0.502 -9.152 1.00 0.00 C ATOM 934 CG2 VAL A 484 -1.679 -1.078 -9.448 1.00 0.00 C ATOM 0 H VAL A 484 -2.437 0.643 -11.378 1.00 0.00 H new ATOM 0 HA VAL A 484 -1.209 1.587 -9.023 1.00 0.00 H new ATOM 0 HB VAL A 484 -0.324 -0.439 -11.050 1.00 0.00 H new ATOM 0 HG11 VAL A 484 0.903 -1.569 -9.185 1.00 0.00 H new ATOM 0 HG12 VAL A 484 1.539 0.055 -9.538 1.00 0.00 H new ATOM 0 HG13 VAL A 484 0.493 -0.202 -8.122 1.00 0.00 H new ATOM 0 HG21 VAL A 484 -1.364 -2.121 -9.439 1.00 0.00 H new ATOM 0 HG22 VAL A 484 -1.913 -0.761 -8.432 1.00 0.00 H new ATOM 0 HG23 VAL A 484 -2.565 -0.972 -10.074 1.00 0.00 H new ATOM 944 N GLN A 485 0.427 2.210 -11.843 1.00 0.00 N ATOM 945 CA GLN A 485 1.465 3.045 -12.460 1.00 0.00 C ATOM 946 C GLN A 485 1.214 4.544 -12.219 1.00 0.00 C ATOM 947 O GLN A 485 2.151 5.289 -11.927 1.00 0.00 O ATOM 948 CB GLN A 485 1.547 2.757 -13.969 1.00 0.00 C ATOM 949 CG GLN A 485 1.917 1.297 -14.288 1.00 0.00 C ATOM 950 CD GLN A 485 1.970 1.019 -15.793 1.00 0.00 C ATOM 951 OE1 GLN A 485 2.436 1.816 -16.599 1.00 0.00 O ATOM 952 NE2 GLN A 485 1.491 -0.125 -16.240 1.00 0.00 N ATOM 0 H GLN A 485 -0.117 1.674 -12.519 1.00 0.00 H new ATOM 0 HA GLN A 485 2.415 2.791 -11.990 1.00 0.00 H new ATOM 0 HB2 GLN A 485 0.587 2.991 -14.430 1.00 0.00 H new ATOM 0 HB3 GLN A 485 2.287 3.419 -14.419 1.00 0.00 H new ATOM 0 HG2 GLN A 485 2.886 1.066 -13.845 1.00 0.00 H new ATOM 0 HG3 GLN A 485 1.188 0.632 -13.825 1.00 0.00 H new ATOM 0 HE21 GLN A 485 1.098 -0.803 -15.587 1.00 0.00 H new ATOM 0 HE22 GLN A 485 1.513 -0.332 -17.239 1.00 0.00 H new ATOM 961 N ILE A 486 -0.051 4.982 -12.285 1.00 0.00 N ATOM 962 CA ILE A 486 -0.456 6.371 -12.004 1.00 0.00 C ATOM 963 C ILE A 486 -0.169 6.733 -10.539 1.00 0.00 C ATOM 964 O ILE A 486 0.443 7.768 -10.276 1.00 0.00 O ATOM 965 CB ILE A 486 -1.943 6.605 -12.374 1.00 0.00 C ATOM 966 CG1 ILE A 486 -2.188 6.317 -13.877 1.00 0.00 C ATOM 967 CG2 ILE A 486 -2.366 8.049 -12.034 1.00 0.00 C ATOM 968 CD1 ILE A 486 -3.660 6.370 -14.306 1.00 0.00 C ATOM 0 H ILE A 486 -0.832 4.377 -12.538 1.00 0.00 H new ATOM 0 HA ILE A 486 0.139 7.035 -12.631 1.00 0.00 H new ATOM 0 HB ILE A 486 -2.549 5.916 -11.786 1.00 0.00 H new ATOM 0 HG12 ILE A 486 -1.625 7.039 -14.468 1.00 0.00 H new ATOM 0 HG13 ILE A 486 -1.789 5.331 -14.114 1.00 0.00 H new ATOM 0 HG21 ILE A 486 -3.413 8.194 -12.301 1.00 0.00 H new ATOM 0 HG22 ILE A 486 -2.236 8.224 -10.966 1.00 0.00 H new ATOM 0 HG23 ILE A 486 -1.748 8.751 -12.594 1.00 0.00 H new ATOM 0 HD11 ILE A 486 -3.736 6.156 -15.372 1.00 0.00 H new ATOM 0 HD12 ILE A 486 -4.229 5.628 -13.746 1.00 0.00 H new ATOM 0 HD13 ILE A 486 -4.062 7.363 -14.105 1.00 0.00 H new ATOM 980 N ALA A 487 -0.547 5.882 -9.582 1.00 0.00 N ATOM 981 CA ALA A 487 -0.299 6.115 -8.156 1.00 0.00 C ATOM 982 C ALA A 487 1.202 6.139 -7.800 1.00 0.00 C ATOM 983 O ALA A 487 1.644 6.985 -7.019 1.00 0.00 O ATOM 984 CB ALA A 487 -1.029 5.030 -7.365 1.00 0.00 C ATOM 0 H ALA A 487 -1.036 5.008 -9.775 1.00 0.00 H new ATOM 0 HA ALA A 487 -0.677 7.104 -7.896 1.00 0.00 H new ATOM 0 HB1 ALA A 487 -0.860 5.181 -6.299 1.00 0.00 H new ATOM 0 HB2 ALA A 487 -2.097 5.084 -7.574 1.00 0.00 H new ATOM 0 HB3 ALA A 487 -0.651 4.050 -7.657 1.00 0.00 H new ATOM 990 N VAL A 488 2.005 5.251 -8.400 1.00 0.00 N ATOM 991 CA VAL A 488 3.473 5.253 -8.254 1.00 0.00 C ATOM 992 C VAL A 488 4.090 6.536 -8.831 1.00 0.00 C ATOM 993 O VAL A 488 4.934 7.149 -8.175 1.00 0.00 O ATOM 994 CB VAL A 488 4.081 3.979 -8.880 1.00 0.00 C ATOM 995 CG1 VAL A 488 5.612 4.023 -8.989 1.00 0.00 C ATOM 996 CG2 VAL A 488 3.730 2.749 -8.027 1.00 0.00 C ATOM 0 H VAL A 488 1.657 4.506 -9.004 1.00 0.00 H new ATOM 0 HA VAL A 488 3.714 5.242 -7.191 1.00 0.00 H new ATOM 0 HB VAL A 488 3.658 3.919 -9.883 1.00 0.00 H new ATOM 0 HG11 VAL A 488 5.972 3.097 -9.437 1.00 0.00 H new ATOM 0 HG12 VAL A 488 5.908 4.867 -9.612 1.00 0.00 H new ATOM 0 HG13 VAL A 488 6.044 4.137 -7.995 1.00 0.00 H new ATOM 0 HG21 VAL A 488 4.164 1.857 -8.479 1.00 0.00 H new ATOM 0 HG22 VAL A 488 4.130 2.878 -7.021 1.00 0.00 H new ATOM 0 HG23 VAL A 488 2.647 2.639 -7.976 1.00 0.00 H new ATOM 1006 N ASN A 489 3.643 7.001 -10.004 1.00 0.00 N ATOM 1007 CA ASN A 489 4.103 8.263 -10.601 1.00 0.00 C ATOM 1008 C ASN A 489 3.753 9.492 -9.737 1.00 0.00 C ATOM 1009 O ASN A 489 4.598 10.355 -9.491 1.00 0.00 O ATOM 1010 CB ASN A 489 3.485 8.396 -12.005 1.00 0.00 C ATOM 1011 CG ASN A 489 3.970 9.639 -12.738 1.00 0.00 C ATOM 1012 OD1 ASN A 489 5.158 9.915 -12.833 1.00 0.00 O ATOM 1013 ND2 ASN A 489 3.071 10.434 -13.274 1.00 0.00 N ATOM 0 H ASN A 489 2.949 6.511 -10.569 1.00 0.00 H new ATOM 0 HA ASN A 489 5.191 8.235 -10.664 1.00 0.00 H new ATOM 0 HB2 ASN A 489 3.732 7.512 -12.593 1.00 0.00 H new ATOM 0 HB3 ASN A 489 2.399 8.429 -11.919 1.00 0.00 H new ATOM 0 HD21 ASN A 489 3.365 11.277 -13.767 1.00 0.00 H new ATOM 0 HD22 ASN A 489 2.079 10.208 -13.197 1.00 0.00 H new ATOM 1020 N THR A 490 2.506 9.568 -9.264 1.00 0.00 N ATOM 1021 CA THR A 490 1.973 10.714 -8.503 1.00 0.00 C ATOM 1022 C THR A 490 2.482 10.797 -7.060 1.00 0.00 C ATOM 1023 O THR A 490 2.499 11.888 -6.484 1.00 0.00 O ATOM 1024 CB THR A 490 0.434 10.738 -8.523 1.00 0.00 C ATOM 1025 OG1 THR A 490 -0.123 9.504 -8.146 1.00 0.00 O ATOM 1026 CG2 THR A 490 -0.093 11.084 -9.917 1.00 0.00 C ATOM 0 H THR A 490 1.822 8.824 -9.399 1.00 0.00 H new ATOM 0 HA THR A 490 2.355 11.596 -9.018 1.00 0.00 H new ATOM 0 HB THR A 490 0.138 11.501 -7.803 1.00 0.00 H new ATOM 0 HG1 THR A 490 -0.047 8.870 -8.890 1.00 0.00 H new ATOM 0 HG21 THR A 490 -1.183 11.094 -9.902 1.00 0.00 H new ATOM 0 HG22 THR A 490 0.275 12.067 -10.211 1.00 0.00 H new ATOM 0 HG23 THR A 490 0.253 10.338 -10.632 1.00 0.00 H new ATOM 1034 N SER A 491 2.982 9.695 -6.485 1.00 0.00 N ATOM 1035 CA SER A 491 3.623 9.677 -5.156 1.00 0.00 C ATOM 1036 C SER A 491 4.832 10.619 -5.027 1.00 0.00 C ATOM 1037 O SER A 491 5.129 11.105 -3.932 1.00 0.00 O ATOM 1038 CB SER A 491 4.032 8.249 -4.780 1.00 0.00 C ATOM 1039 OG SER A 491 5.226 7.837 -5.424 1.00 0.00 O ATOM 0 H SER A 491 2.954 8.779 -6.932 1.00 0.00 H new ATOM 0 HA SER A 491 2.871 10.051 -4.461 1.00 0.00 H new ATOM 0 HB2 SER A 491 4.165 8.186 -3.700 1.00 0.00 H new ATOM 0 HB3 SER A 491 3.227 7.563 -5.043 1.00 0.00 H new ATOM 0 HG SER A 491 5.038 7.635 -6.364 1.00 0.00 H new ATOM 1045 N LYS A 492 5.486 10.940 -6.155 1.00 0.00 N ATOM 1046 CA LYS A 492 6.594 11.903 -6.287 1.00 0.00 C ATOM 1047 C LYS A 492 6.257 13.319 -5.784 1.00 0.00 C ATOM 1048 O LYS A 492 7.165 14.083 -5.451 1.00 0.00 O ATOM 1049 CB LYS A 492 7.018 11.907 -7.768 1.00 0.00 C ATOM 1050 CG LYS A 492 8.336 12.649 -8.046 1.00 0.00 C ATOM 1051 CD LYS A 492 8.837 12.436 -9.483 1.00 0.00 C ATOM 1052 CE LYS A 492 7.853 12.993 -10.519 1.00 0.00 C ATOM 1053 NZ LYS A 492 8.353 12.824 -11.905 1.00 0.00 N ATOM 0 H LYS A 492 5.244 10.512 -7.049 1.00 0.00 H new ATOM 0 HA LYS A 492 7.415 11.586 -5.644 1.00 0.00 H new ATOM 0 HB2 LYS A 492 7.116 10.876 -8.109 1.00 0.00 H new ATOM 0 HB3 LYS A 492 6.225 12.364 -8.360 1.00 0.00 H new ATOM 0 HG2 LYS A 492 8.194 13.715 -7.868 1.00 0.00 H new ATOM 0 HG3 LYS A 492 9.097 12.307 -7.344 1.00 0.00 H new ATOM 0 HD2 LYS A 492 9.806 12.920 -9.605 1.00 0.00 H new ATOM 0 HD3 LYS A 492 8.988 11.371 -9.661 1.00 0.00 H new ATOM 0 HE2 LYS A 492 6.893 12.488 -10.416 1.00 0.00 H new ATOM 0 HE3 LYS A 492 7.679 14.051 -10.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 7.659 13.213 -12.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 9.257 13.327 -12.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 8.495 11.813 -12.102 1.00 0.00 H new ATOM 1067 N TYR A 493 4.968 13.655 -5.688 1.00 0.00 N ATOM 1068 CA TYR A 493 4.462 14.987 -5.330 1.00 0.00 C ATOM 1069 C TYR A 493 3.814 15.049 -3.928 1.00 0.00 C ATOM 1070 O TYR A 493 3.272 16.091 -3.546 1.00 0.00 O ATOM 1071 CB TYR A 493 3.485 15.452 -6.425 1.00 0.00 C ATOM 1072 CG TYR A 493 3.984 15.267 -7.852 1.00 0.00 C ATOM 1073 CD1 TYR A 493 5.164 15.910 -8.280 1.00 0.00 C ATOM 1074 CD2 TYR A 493 3.278 14.435 -8.742 1.00 0.00 C ATOM 1075 CE1 TYR A 493 5.637 15.717 -9.593 1.00 0.00 C ATOM 1076 CE2 TYR A 493 3.747 14.239 -10.056 1.00 0.00 C ATOM 1077 CZ TYR A 493 4.929 14.882 -10.486 1.00 0.00 C ATOM 1078 OH TYR A 493 5.395 14.699 -11.752 1.00 0.00 O ATOM 0 H TYR A 493 4.220 12.985 -5.863 1.00 0.00 H new ATOM 0 HA TYR A 493 5.314 15.665 -5.272 1.00 0.00 H new ATOM 0 HB2 TYR A 493 2.548 14.907 -6.310 1.00 0.00 H new ATOM 0 HB3 TYR A 493 3.262 16.507 -6.268 1.00 0.00 H new ATOM 0 HD1 TYR A 493 5.706 16.551 -7.600 1.00 0.00 H new ATOM 0 HD2 TYR A 493 2.373 13.945 -8.416 1.00 0.00 H new ATOM 0 HE1 TYR A 493 6.542 16.208 -9.917 1.00 0.00 H new ATOM 0 HE2 TYR A 493 3.203 13.598 -10.734 1.00 0.00 H new ATOM 0 HH TYR A 493 4.794 14.096 -12.238 1.00 0.00 H new ATOM 1088 N ALA A 494 3.858 13.957 -3.153 1.00 0.00 N ATOM 1089 CA ALA A 494 3.356 13.907 -1.778 1.00 0.00 C ATOM 1090 C ALA A 494 4.142 14.821 -0.811 1.00 0.00 C ATOM 1091 O ALA A 494 5.308 15.160 -1.041 1.00 0.00 O ATOM 1092 CB ALA A 494 3.405 12.455 -1.285 1.00 0.00 C ATOM 0 H ALA A 494 4.250 13.071 -3.471 1.00 0.00 H new ATOM 0 HA ALA A 494 2.332 14.279 -1.788 1.00 0.00 H new ATOM 0 HB1 ALA A 494 3.033 12.406 -0.262 1.00 0.00 H new ATOM 0 HB2 ALA A 494 2.783 11.831 -1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 494 4.433 12.095 -1.315 1.00 0.00 H new ATOM 1098 N GLU A 495 3.514 15.154 0.319 1.00 0.00 N ATOM 1099 CA GLU A 495 4.114 15.926 1.426 1.00 0.00 C ATOM 1100 C GLU A 495 3.755 15.394 2.832 1.00 0.00 C ATOM 1101 O GLU A 495 4.236 15.920 3.839 1.00 0.00 O ATOM 1102 CB GLU A 495 3.749 17.415 1.273 1.00 0.00 C ATOM 1103 CG GLU A 495 2.247 17.710 1.424 1.00 0.00 C ATOM 1104 CD GLU A 495 1.969 19.219 1.277 1.00 0.00 C ATOM 1105 OE1 GLU A 495 2.013 19.954 2.295 1.00 0.00 O ATOM 1106 OE2 GLU A 495 1.696 19.686 0.143 1.00 0.00 O ATOM 0 H GLU A 495 2.546 14.890 0.501 1.00 0.00 H new ATOM 0 HA GLU A 495 5.194 15.803 1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 495 4.299 17.991 2.017 1.00 0.00 H new ATOM 0 HB3 GLU A 495 4.080 17.761 0.294 1.00 0.00 H new ATOM 0 HG2 GLU A 495 1.686 17.157 0.671 1.00 0.00 H new ATOM 0 HG3 GLU A 495 1.900 17.365 2.398 1.00 0.00 H new ATOM 1113 N SER A 496 2.920 14.350 2.912 1.00 0.00 N ATOM 1114 CA SER A 496 2.340 13.819 4.161 1.00 0.00 C ATOM 1115 C SER A 496 2.078 12.300 4.145 1.00 0.00 C ATOM 1116 O SER A 496 1.504 11.756 5.092 1.00 0.00 O ATOM 1117 CB SER A 496 1.042 14.581 4.458 1.00 0.00 C ATOM 1118 OG SER A 496 0.111 14.459 3.393 1.00 0.00 O ATOM 0 H SER A 496 2.618 13.833 2.086 1.00 0.00 H new ATOM 0 HA SER A 496 3.079 13.972 4.947 1.00 0.00 H new ATOM 0 HB2 SER A 496 0.597 14.199 5.377 1.00 0.00 H new ATOM 0 HB3 SER A 496 1.268 15.634 4.626 1.00 0.00 H new ATOM 0 HG SER A 496 -0.705 14.954 3.614 1.00 0.00 H new ATOM 1124 N TYR A 497 2.501 11.604 3.085 1.00 0.00 N ATOM 1125 CA TYR A 497 2.330 10.161 2.862 1.00 0.00 C ATOM 1126 C TYR A 497 3.362 9.640 1.841 1.00 0.00 C ATOM 1127 O TYR A 497 4.073 10.426 1.206 1.00 0.00 O ATOM 1128 CB TYR A 497 0.894 9.885 2.365 1.00 0.00 C ATOM 1129 CG TYR A 497 0.562 10.512 1.018 1.00 0.00 C ATOM 1130 CD1 TYR A 497 0.077 11.832 0.953 1.00 0.00 C ATOM 1131 CD2 TYR A 497 0.777 9.788 -0.171 1.00 0.00 C ATOM 1132 CE1 TYR A 497 -0.165 12.440 -0.294 1.00 0.00 C ATOM 1133 CE2 TYR A 497 0.545 10.393 -1.421 1.00 0.00 C ATOM 1134 CZ TYR A 497 0.076 11.725 -1.486 1.00 0.00 C ATOM 1135 OH TYR A 497 -0.135 12.328 -2.688 1.00 0.00 O ATOM 0 H TYR A 497 2.999 12.054 2.317 1.00 0.00 H new ATOM 0 HA TYR A 497 2.493 9.635 3.803 1.00 0.00 H new ATOM 0 HB2 TYR A 497 0.748 8.807 2.296 1.00 0.00 H new ATOM 0 HB3 TYR A 497 0.188 10.256 3.108 1.00 0.00 H new ATOM 0 HD1 TYR A 497 -0.110 12.381 1.864 1.00 0.00 H new ATOM 0 HD2 TYR A 497 1.121 8.765 -0.124 1.00 0.00 H new ATOM 0 HE1 TYR A 497 -0.535 13.454 -0.338 1.00 0.00 H new ATOM 0 HE2 TYR A 497 0.725 9.839 -2.331 1.00 0.00 H new ATOM 0 HH TYR A 497 0.079 11.701 -3.410 1.00 0.00 H new ATOM 1145 N ARG A 498 3.413 8.316 1.646 1.00 0.00 N ATOM 1146 CA ARG A 498 4.160 7.620 0.578 1.00 0.00 C ATOM 1147 C ARG A 498 3.358 6.439 0.029 1.00 0.00 C ATOM 1148 O ARG A 498 2.515 5.876 0.727 1.00 0.00 O ATOM 1149 CB ARG A 498 5.533 7.136 1.087 1.00 0.00 C ATOM 1150 CG ARG A 498 6.547 8.280 1.196 1.00 0.00 C ATOM 1151 CD ARG A 498 7.929 7.764 1.612 1.00 0.00 C ATOM 1152 NE ARG A 498 8.910 8.865 1.679 1.00 0.00 N ATOM 1153 CZ ARG A 498 10.212 8.752 1.870 1.00 0.00 C ATOM 1154 NH1 ARG A 498 10.793 7.597 2.043 1.00 0.00 N ATOM 1155 NH2 ARG A 498 10.968 9.813 1.890 1.00 0.00 N ATOM 0 H ARG A 498 2.913 7.667 2.254 1.00 0.00 H new ATOM 0 HA ARG A 498 4.322 8.335 -0.229 1.00 0.00 H new ATOM 0 HB2 ARG A 498 5.412 6.666 2.063 1.00 0.00 H new ATOM 0 HB3 ARG A 498 5.920 6.373 0.412 1.00 0.00 H new ATOM 0 HG2 ARG A 498 6.622 8.794 0.238 1.00 0.00 H new ATOM 0 HG3 ARG A 498 6.196 9.012 1.924 1.00 0.00 H new ATOM 0 HD2 ARG A 498 7.860 7.274 2.583 1.00 0.00 H new ATOM 0 HD3 ARG A 498 8.269 7.012 0.900 1.00 0.00 H new ATOM 0 HE ARG A 498 8.545 9.811 1.566 1.00 0.00 H new ATOM 0 HH11 ARG A 498 10.239 6.741 2.034 1.00 0.00 H new ATOM 0 HH12 ARG A 498 11.802 7.550 2.188 1.00 0.00 H new ATOM 0 HH21 ARG A 498 10.555 10.736 1.758 1.00 0.00 H new ATOM 0 HH22 ARG A 498 11.973 9.720 2.038 1.00 0.00 H new ATOM 1169 N ILE A 499 3.647 6.066 -1.218 1.00 0.00 N ATOM 1170 CA ILE A 499 3.008 4.963 -1.963 1.00 0.00 C ATOM 1171 C ILE A 499 4.094 4.151 -2.687 1.00 0.00 C ATOM 1172 O ILE A 499 5.057 4.713 -3.215 1.00 0.00 O ATOM 1173 CB ILE A 499 1.970 5.493 -2.986 1.00 0.00 C ATOM 1174 CG1 ILE A 499 0.868 6.362 -2.336 1.00 0.00 C ATOM 1175 CG2 ILE A 499 1.314 4.331 -3.758 1.00 0.00 C ATOM 1176 CD1 ILE A 499 0.054 7.173 -3.350 1.00 0.00 C ATOM 0 H ILE A 499 4.364 6.541 -1.767 1.00 0.00 H new ATOM 0 HA ILE A 499 2.476 4.328 -1.254 1.00 0.00 H new ATOM 0 HB ILE A 499 2.527 6.128 -3.675 1.00 0.00 H new ATOM 0 HG12 ILE A 499 0.193 5.718 -1.772 1.00 0.00 H new ATOM 0 HG13 ILE A 499 1.328 7.045 -1.622 1.00 0.00 H new ATOM 0 HG21 ILE A 499 0.590 4.729 -4.469 1.00 0.00 H new ATOM 0 HG22 ILE A 499 2.081 3.772 -4.295 1.00 0.00 H new ATOM 0 HG23 ILE A 499 0.807 3.669 -3.057 1.00 0.00 H new ATOM 0 HD11 ILE A 499 -0.701 7.759 -2.825 1.00 0.00 H new ATOM 0 HD12 ILE A 499 0.718 7.842 -3.897 1.00 0.00 H new ATOM 0 HD13 ILE A 499 -0.435 6.495 -4.050 1.00 0.00 H new ATOM 1188 N GLN A 500 3.918 2.832 -2.743 1.00 0.00 N ATOM 1189 CA GLN A 500 4.734 1.880 -3.505 1.00 0.00 C ATOM 1190 C GLN A 500 3.888 0.671 -3.947 1.00 0.00 C ATOM 1191 O GLN A 500 2.724 0.555 -3.558 1.00 0.00 O ATOM 1192 CB GLN A 500 5.948 1.470 -2.654 1.00 0.00 C ATOM 1193 CG GLN A 500 5.598 0.718 -1.358 1.00 0.00 C ATOM 1194 CD GLN A 500 6.812 0.506 -0.459 1.00 0.00 C ATOM 1195 OE1 GLN A 500 7.960 0.657 -0.857 1.00 0.00 O ATOM 1196 NE2 GLN A 500 6.616 0.170 0.795 1.00 0.00 N ATOM 0 H GLN A 500 3.164 2.372 -2.233 1.00 0.00 H new ATOM 0 HA GLN A 500 5.101 2.348 -4.418 1.00 0.00 H new ATOM 0 HB2 GLN A 500 6.602 0.841 -3.258 1.00 0.00 H new ATOM 0 HB3 GLN A 500 6.514 2.365 -2.397 1.00 0.00 H new ATOM 0 HG2 GLN A 500 4.838 1.277 -0.811 1.00 0.00 H new ATOM 0 HG3 GLN A 500 5.163 -0.249 -1.609 1.00 0.00 H new ATOM 0 HE21 GLN A 500 5.667 0.040 1.146 1.00 0.00 H new ATOM 0 HE22 GLN A 500 7.413 0.039 1.419 1.00 0.00 H new ATOM 1205 N THR A 501 4.429 -0.239 -4.760 1.00 0.00 N ATOM 1206 CA THR A 501 3.734 -1.498 -5.103 1.00 0.00 C ATOM 1207 C THR A 501 3.753 -2.506 -3.946 1.00 0.00 C ATOM 1208 O THR A 501 4.576 -2.419 -3.026 1.00 0.00 O ATOM 1209 CB THR A 501 4.325 -2.164 -6.358 1.00 0.00 C ATOM 1210 OG1 THR A 501 5.627 -2.640 -6.103 1.00 0.00 O ATOM 1211 CG2 THR A 501 4.384 -1.218 -7.557 1.00 0.00 C ATOM 0 H THR A 501 5.345 -0.135 -5.197 1.00 0.00 H new ATOM 0 HA THR A 501 2.701 -1.214 -5.306 1.00 0.00 H new ATOM 0 HB THR A 501 3.657 -2.989 -6.603 1.00 0.00 H new ATOM 0 HG1 THR A 501 5.985 -3.062 -6.912 1.00 0.00 H new ATOM 0 HG21 THR A 501 4.809 -1.742 -8.413 1.00 0.00 H new ATOM 0 HG22 THR A 501 3.378 -0.879 -7.803 1.00 0.00 H new ATOM 0 HG23 THR A 501 5.007 -0.358 -7.312 1.00 0.00 H new ATOM 1219 N TYR A 502 2.883 -3.520 -4.006 1.00 0.00 N ATOM 1220 CA TYR A 502 2.932 -4.679 -3.105 1.00 0.00 C ATOM 1221 C TYR A 502 4.304 -5.388 -3.146 1.00 0.00 C ATOM 1222 O TYR A 502 4.863 -5.735 -2.103 1.00 0.00 O ATOM 1223 CB TYR A 502 1.802 -5.641 -3.498 1.00 0.00 C ATOM 1224 CG TYR A 502 1.651 -6.846 -2.588 1.00 0.00 C ATOM 1225 CD1 TYR A 502 0.800 -6.770 -1.470 1.00 0.00 C ATOM 1226 CD2 TYR A 502 2.342 -8.042 -2.866 1.00 0.00 C ATOM 1227 CE1 TYR A 502 0.639 -7.883 -0.624 1.00 0.00 C ATOM 1228 CE2 TYR A 502 2.179 -9.161 -2.024 1.00 0.00 C ATOM 1229 CZ TYR A 502 1.330 -9.083 -0.899 1.00 0.00 C ATOM 1230 OH TYR A 502 1.147 -10.179 -0.112 1.00 0.00 O ATOM 0 H TYR A 502 2.122 -3.561 -4.683 1.00 0.00 H new ATOM 0 HA TYR A 502 2.796 -4.339 -2.078 1.00 0.00 H new ATOM 0 HB2 TYR A 502 0.861 -5.090 -3.508 1.00 0.00 H new ATOM 0 HB3 TYR A 502 1.978 -5.991 -4.515 1.00 0.00 H new ATOM 0 HD1 TYR A 502 0.268 -5.854 -1.260 1.00 0.00 H new ATOM 0 HD2 TYR A 502 2.996 -8.102 -3.723 1.00 0.00 H new ATOM 0 HE1 TYR A 502 -0.013 -7.819 0.235 1.00 0.00 H new ATOM 0 HE2 TYR A 502 2.705 -10.079 -2.240 1.00 0.00 H new ATOM 0 HH TYR A 502 1.699 -10.917 -0.445 1.00 0.00 H new ATOM 1240 N ALA A 503 4.878 -5.552 -4.344 1.00 0.00 N ATOM 1241 CA ALA A 503 6.186 -6.176 -4.549 1.00 0.00 C ATOM 1242 C ALA A 503 7.347 -5.378 -3.921 1.00 0.00 C ATOM 1243 O ALA A 503 8.256 -5.972 -3.335 1.00 0.00 O ATOM 1244 CB ALA A 503 6.397 -6.370 -6.056 1.00 0.00 C ATOM 0 H ALA A 503 4.437 -5.249 -5.212 1.00 0.00 H new ATOM 0 HA ALA A 503 6.190 -7.138 -4.037 1.00 0.00 H new ATOM 0 HB1 ALA A 503 7.368 -6.834 -6.231 1.00 0.00 H new ATOM 0 HB2 ALA A 503 5.611 -7.012 -6.454 1.00 0.00 H new ATOM 0 HB3 ALA A 503 6.363 -5.402 -6.556 1.00 0.00 H new ATOM 1250 N GLU A 504 7.314 -4.041 -3.985 1.00 0.00 N ATOM 1251 CA GLU A 504 8.287 -3.187 -3.288 1.00 0.00 C ATOM 1252 C GLU A 504 8.212 -3.350 -1.764 1.00 0.00 C ATOM 1253 O GLU A 504 9.254 -3.495 -1.120 1.00 0.00 O ATOM 1254 CB GLU A 504 8.086 -1.710 -3.656 1.00 0.00 C ATOM 1255 CG GLU A 504 8.707 -1.341 -5.006 1.00 0.00 C ATOM 1256 CD GLU A 504 8.640 0.181 -5.220 1.00 0.00 C ATOM 1257 OE1 GLU A 504 9.556 0.892 -4.733 1.00 0.00 O ATOM 1258 OE2 GLU A 504 7.672 0.673 -5.845 1.00 0.00 O ATOM 0 H GLU A 504 6.616 -3.522 -4.518 1.00 0.00 H new ATOM 0 HA GLU A 504 9.275 -3.510 -3.616 1.00 0.00 H new ATOM 0 HB2 GLU A 504 7.019 -1.489 -3.680 1.00 0.00 H new ATOM 0 HB3 GLU A 504 8.523 -1.084 -2.878 1.00 0.00 H new ATOM 0 HG2 GLU A 504 9.744 -1.676 -5.042 1.00 0.00 H new ATOM 0 HG3 GLU A 504 8.179 -1.853 -5.810 1.00 0.00 H new ATOM 1265 N TYR A 505 7.007 -3.392 -1.180 1.00 0.00 N ATOM 1266 CA TYR A 505 6.848 -3.646 0.255 1.00 0.00 C ATOM 1267 C TYR A 505 7.407 -5.020 0.662 1.00 0.00 C ATOM 1268 O TYR A 505 8.197 -5.101 1.601 1.00 0.00 O ATOM 1269 CB TYR A 505 5.381 -3.513 0.680 1.00 0.00 C ATOM 1270 CG TYR A 505 5.174 -3.888 2.138 1.00 0.00 C ATOM 1271 CD1 TYR A 505 5.551 -2.989 3.154 1.00 0.00 C ATOM 1272 CD2 TYR A 505 4.704 -5.173 2.477 1.00 0.00 C ATOM 1273 CE1 TYR A 505 5.443 -3.365 4.507 1.00 0.00 C ATOM 1274 CE2 TYR A 505 4.600 -5.555 3.828 1.00 0.00 C ATOM 1275 CZ TYR A 505 4.970 -4.650 4.848 1.00 0.00 C ATOM 1276 OH TYR A 505 4.892 -5.014 6.158 1.00 0.00 O ATOM 0 H TYR A 505 6.129 -3.253 -1.681 1.00 0.00 H new ATOM 0 HA TYR A 505 7.429 -2.887 0.779 1.00 0.00 H new ATOM 0 HB2 TYR A 505 5.048 -2.488 0.519 1.00 0.00 H new ATOM 0 HB3 TYR A 505 4.762 -4.152 0.050 1.00 0.00 H new ATOM 0 HD1 TYR A 505 5.924 -2.009 2.895 1.00 0.00 H new ATOM 0 HD2 TYR A 505 4.423 -5.866 1.698 1.00 0.00 H new ATOM 0 HE1 TYR A 505 5.722 -2.669 5.284 1.00 0.00 H new ATOM 0 HE2 TYR A 505 4.238 -6.539 4.085 1.00 0.00 H new ATOM 0 HH TYR A 505 4.546 -5.929 6.223 1.00 0.00 H new