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+ -137:sc= 0.785 (180deg=0) USER MOD Set 1.2: A 493 TYR OH : rot 180:sc= 0.243 USER MOD Set 2.1: A 442 HIS : no HD1:sc= 0.819 K(o=2.3,f=-5.3) USER MOD Set 2.2: A 444 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 473 SER OG : rot 24:sc= 0.31 USER MOD Set 2.4: A 500 GLN : amide:sc= 1.16 K(o=2.3,f=1.5) USER MOD Single : A 439 HIS : no HD1:sc= 0.167 K(o=0.17,f=-1.2) USER MOD Single : A 447 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 450 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 451 THR OG1 : rot -45:sc= 0.0679 USER MOD Single : A 452 SER OG : rot 180:sc= 0.0276 USER MOD Single : A 455 TYR OH : rot 180:sc= 0 USER MOD Single : A 456 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 463 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 465 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.43) 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 477 SER OG : rot 180:sc= 0 USER MOD Single : A 479 SER OG : rot 73:sc= 0.471 USER MOD Single : A 480 GLN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 483 GLN : amide:sc= 0.0454 K(o=0.045,f=-2) USER MOD Single : A 485 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 489 ASN : amide:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 490 THR OG1 : rot -79:sc= 0.881 USER MOD Single : A 491 SER OG : rot -33:sc= 0.381 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= 0.311 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 -1.922 -9.840 -7.292 1.00 0.00 N ATOM 174 CA ARG A 437 -1.326 -8.658 -6.624 1.00 0.00 C ATOM 175 C ARG A 437 -0.887 -7.540 -7.584 1.00 0.00 C ATOM 176 O ARG A 437 -0.435 -6.492 -7.130 1.00 0.00 O ATOM 177 CB ARG A 437 -0.148 -9.103 -5.727 1.00 0.00 C ATOM 178 CG ARG A 437 -0.517 -10.053 -4.574 1.00 0.00 C ATOM 179 CD ARG A 437 -1.432 -9.402 -3.527 1.00 0.00 C ATOM 180 NE ARG A 437 -1.756 -10.339 -2.434 1.00 0.00 N ATOM 181 CZ ARG A 437 -2.798 -11.151 -2.362 1.00 0.00 C ATOM 182 NH1 ARG A 437 -3.705 -11.219 -3.294 1.00 0.00 N ATOM 183 NH2 ARG A 437 -2.957 -11.928 -1.329 1.00 0.00 N ATOM 0 HA ARG A 437 -2.118 -8.219 -6.017 1.00 0.00 H new ATOM 0 HB2 ARG A 437 0.598 -9.592 -6.353 1.00 0.00 H new ATOM 0 HB3 ARG A 437 0.322 -8.214 -5.306 1.00 0.00 H new ATOM 0 HG2 ARG A 437 -1.011 -10.935 -4.982 1.00 0.00 H new ATOM 0 HG3 ARG A 437 0.396 -10.396 -4.087 1.00 0.00 H new ATOM 0 HD2 ARG A 437 -0.945 -8.517 -3.117 1.00 0.00 H new ATOM 0 HD3 ARG A 437 -2.352 -9.067 -4.005 1.00 0.00 H new ATOM 0 HE ARG A 437 -1.106 -10.363 -1.648 1.00 0.00 H new ATOM 0 HH11 ARG A 437 -3.629 -10.630 -4.124 1.00 0.00 H new ATOM 0 HH12 ARG A 437 -4.491 -11.861 -3.194 1.00 0.00 H new ATOM 0 HH21 ARG A 437 -2.276 -11.913 -0.570 1.00 0.00 H new ATOM 0 HH22 ARG A 437 -3.762 -12.552 -1.279 1.00 0.00 H new ATOM 197 N ASP A 438 -1.053 -7.717 -8.898 1.00 0.00 N ATOM 198 CA ASP A 438 -0.692 -6.713 -9.921 1.00 0.00 C ATOM 199 C ASP A 438 -1.484 -5.396 -9.796 1.00 0.00 C ATOM 200 O ASP A 438 -1.031 -4.344 -10.250 1.00 0.00 O ATOM 201 CB ASP A 438 -0.922 -7.288 -11.327 1.00 0.00 C ATOM 202 CG ASP A 438 -0.209 -8.627 -11.556 1.00 0.00 C ATOM 203 OD1 ASP A 438 1.034 -8.644 -11.723 1.00 0.00 O ATOM 204 OD2 ASP A 438 -0.915 -9.665 -11.579 1.00 0.00 O ATOM 0 H ASP A 438 -1.447 -8.571 -9.293 1.00 0.00 H new ATOM 0 HA ASP A 438 0.360 -6.482 -9.756 1.00 0.00 H new ATOM 0 HB2 ASP A 438 -1.992 -7.421 -11.488 1.00 0.00 H new ATOM 0 HB3 ASP A 438 -0.576 -6.568 -12.068 1.00 0.00 H new ATOM 209 N HIS A 439 -2.662 -5.453 -9.166 1.00 0.00 N ATOM 210 CA HIS A 439 -3.592 -4.341 -8.937 1.00 0.00 C ATOM 211 C HIS A 439 -3.497 -3.751 -7.513 1.00 0.00 C ATOM 212 O HIS A 439 -4.380 -2.993 -7.103 1.00 0.00 O ATOM 213 CB HIS A 439 -5.011 -4.846 -9.243 1.00 0.00 C ATOM 214 CG HIS A 439 -5.511 -5.867 -8.247 1.00 0.00 C ATOM 215 ND1 HIS A 439 -5.056 -7.186 -8.136 1.00 0.00 N ATOM 216 CD2 HIS A 439 -6.438 -5.635 -7.274 1.00 0.00 C ATOM 217 CE1 HIS A 439 -5.729 -7.717 -7.098 1.00 0.00 C ATOM 218 NE2 HIS A 439 -6.560 -6.807 -6.560 1.00 0.00 N ATOM 0 H HIS A 439 -3.013 -6.329 -8.779 1.00 0.00 H new ATOM 0 HA HIS A 439 -3.325 -3.518 -9.600 1.00 0.00 H new ATOM 0 HB2 HIS A 439 -5.695 -3.998 -9.258 1.00 0.00 H new ATOM 0 HB3 HIS A 439 -5.026 -5.285 -10.241 1.00 0.00 H new ATOM 0 HD2 HIS A 439 -6.972 -4.713 -7.098 1.00 0.00 H new ATOM 0 HE1 HIS A 439 -5.617 -8.732 -6.746 1.00 0.00 H new ATOM 0 HE2 HIS A 439 -7.175 -6.958 -5.761 1.00 0.00 H new ATOM 226 N VAL A 440 -2.451 -4.098 -6.747 1.00 0.00 N ATOM 227 CA VAL A 440 -2.326 -3.797 -5.307 1.00 0.00 C ATOM 228 C VAL A 440 -1.107 -2.917 -5.013 1.00 0.00 C ATOM 229 O VAL A 440 0.001 -3.139 -5.510 1.00 0.00 O ATOM 230 CB VAL A 440 -2.270 -5.090 -4.461 1.00 0.00 C ATOM 231 CG1 VAL A 440 -2.275 -4.801 -2.949 1.00 0.00 C ATOM 232 CG2 VAL A 440 -3.471 -5.999 -4.752 1.00 0.00 C ATOM 0 H VAL A 440 -1.649 -4.607 -7.117 1.00 0.00 H new ATOM 0 HA VAL A 440 -3.219 -3.240 -5.025 1.00 0.00 H new ATOM 0 HB VAL A 440 -1.337 -5.580 -4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 440 -2.235 -5.741 -2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 440 -1.408 -4.193 -2.692 1.00 0.00 H new ATOM 0 HG13 VAL A 440 -3.186 -4.264 -2.684 1.00 0.00 H new ATOM 0 HG21 VAL A 440 -3.402 -6.899 -4.142 1.00 0.00 H new ATOM 0 HG22 VAL A 440 -4.394 -5.470 -4.515 1.00 0.00 H new ATOM 0 HG23 VAL A 440 -3.472 -6.275 -5.807 1.00 0.00 H new ATOM 242 N LEU A 441 -1.327 -1.936 -4.142 1.00 0.00 N ATOM 243 CA LEU A 441 -0.346 -0.995 -3.608 1.00 0.00 C ATOM 244 C LEU A 441 -0.209 -1.156 -2.091 1.00 0.00 C ATOM 245 O LEU A 441 -1.079 -1.719 -1.429 1.00 0.00 O ATOM 246 CB LEU A 441 -0.842 0.435 -3.892 1.00 0.00 C ATOM 247 CG LEU A 441 -0.870 0.826 -5.374 1.00 0.00 C ATOM 248 CD1 LEU A 441 -1.724 2.075 -5.532 1.00 0.00 C ATOM 249 CD2 LEU A 441 0.532 1.139 -5.891 1.00 0.00 C ATOM 0 H LEU A 441 -2.259 -1.766 -3.765 1.00 0.00 H new ATOM 0 HA LEU A 441 0.619 -1.186 -4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 441 -1.847 0.543 -3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 441 -0.203 1.138 -3.358 1.00 0.00 H new ATOM 0 HG LEU A 441 -1.277 -0.010 -5.943 1.00 0.00 H new ATOM 0 HD11 LEU A 441 -1.753 2.365 -6.582 1.00 0.00 H new ATOM 0 HD12 LEU A 441 -2.736 1.870 -5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 441 -1.295 2.886 -4.943 1.00 0.00 H new ATOM 0 HD21 LEU A 441 0.479 1.413 -6.945 1.00 0.00 H new ATOM 0 HD22 LEU A 441 0.953 1.968 -5.322 1.00 0.00 H new ATOM 0 HD23 LEU A 441 1.167 0.260 -5.776 1.00 0.00 H new ATOM 261 N HIS A 442 0.844 -0.561 -1.544 1.00 0.00 N ATOM 262 CA HIS A 442 1.101 -0.345 -0.122 1.00 0.00 C ATOM 263 C HIS A 442 1.329 1.156 0.094 1.00 0.00 C ATOM 264 O HIS A 442 1.925 1.837 -0.747 1.00 0.00 O ATOM 265 CB HIS A 442 2.318 -1.175 0.315 1.00 0.00 C ATOM 266 CG HIS A 442 2.890 -0.740 1.643 1.00 0.00 C ATOM 267 ND1 HIS A 442 4.090 -0.044 1.804 1.00 0.00 N ATOM 268 CD2 HIS A 442 2.267 -0.833 2.855 1.00 0.00 C ATOM 269 CE1 HIS A 442 4.160 0.275 3.107 1.00 0.00 C ATOM 270 NE2 HIS A 442 3.081 -0.181 3.759 1.00 0.00 N ATOM 0 H HIS A 442 1.597 -0.189 -2.123 1.00 0.00 H new ATOM 0 HA HIS A 442 0.254 -0.667 0.485 1.00 0.00 H new ATOM 0 HB2 HIS A 442 2.030 -2.225 0.377 1.00 0.00 H new ATOM 0 HB3 HIS A 442 3.093 -1.101 -0.448 1.00 0.00 H new ATOM 0 HD2 HIS A 442 1.326 -1.319 3.064 1.00 0.00 H new ATOM 0 HE1 HIS A 442 4.971 0.822 3.565 1.00 0.00 H new ATOM 0 HE2 HIS A 442 2.893 -0.066 4.755 1.00 0.00 H new ATOM 278 N VAL A 443 0.833 1.678 1.215 1.00 0.00 N ATOM 279 CA VAL A 443 0.821 3.110 1.534 1.00 0.00 C ATOM 280 C VAL A 443 1.296 3.309 2.970 1.00 0.00 C ATOM 281 O VAL A 443 0.888 2.563 3.864 1.00 0.00 O ATOM 282 CB VAL A 443 -0.591 3.712 1.354 1.00 0.00 C ATOM 283 CG1 VAL A 443 -0.552 5.246 1.374 1.00 0.00 C ATOM 284 CG2 VAL A 443 -1.246 3.298 0.030 1.00 0.00 C ATOM 0 H VAL A 443 0.417 1.103 1.948 1.00 0.00 H new ATOM 0 HA VAL A 443 1.493 3.626 0.847 1.00 0.00 H new ATOM 0 HB VAL A 443 -1.174 3.325 2.189 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -1.561 5.637 1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -0.150 5.587 2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 443 0.083 5.604 0.563 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -2.235 3.749 -0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -0.630 3.637 -0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -1.339 2.213 -0.006 1.00 0.00 H new ATOM 294 N THR A 444 2.126 4.330 3.190 1.00 0.00 N ATOM 295 CA THR A 444 2.714 4.671 4.498 1.00 0.00 C ATOM 296 C THR A 444 2.358 6.110 4.869 1.00 0.00 C ATOM 297 O THR A 444 2.440 7.008 4.023 1.00 0.00 O ATOM 298 CB THR A 444 4.249 4.521 4.493 1.00 0.00 C ATOM 299 OG1 THR A 444 4.668 3.352 3.819 1.00 0.00 O ATOM 300 CG2 THR A 444 4.810 4.425 5.912 1.00 0.00 C ATOM 0 H THR A 444 2.419 4.963 2.446 1.00 0.00 H new ATOM 0 HA THR A 444 2.303 3.977 5.231 1.00 0.00 H new ATOM 0 HB THR A 444 4.621 5.410 3.984 1.00 0.00 H new ATOM 0 HG1 THR A 444 5.646 3.296 3.838 1.00 0.00 H new ATOM 0 HG21 THR A 444 5.894 4.320 5.868 1.00 0.00 H new ATOM 0 HG22 THR A 444 4.555 5.328 6.466 1.00 0.00 H new ATOM 0 HG23 THR A 444 4.382 3.558 6.415 1.00 0.00 H new ATOM 308 N PHE A 445 1.950 6.336 6.119 1.00 0.00 N ATOM 309 CA PHE A 445 1.377 7.605 6.591 1.00 0.00 C ATOM 310 C PHE A 445 1.484 7.769 8.129 1.00 0.00 C ATOM 311 O PHE A 445 1.583 6.767 8.846 1.00 0.00 O ATOM 312 CB PHE A 445 -0.103 7.657 6.155 1.00 0.00 C ATOM 313 CG PHE A 445 -0.881 6.365 6.370 1.00 0.00 C ATOM 314 CD1 PHE A 445 -1.229 5.949 7.668 1.00 0.00 C ATOM 315 CD2 PHE A 445 -1.201 5.536 5.276 1.00 0.00 C ATOM 316 CE1 PHE A 445 -1.856 4.713 7.876 1.00 0.00 C ATOM 317 CE2 PHE A 445 -1.834 4.297 5.481 1.00 0.00 C ATOM 318 CZ PHE A 445 -2.159 3.881 6.784 1.00 0.00 C ATOM 0 H PHE A 445 2.009 5.628 6.851 1.00 0.00 H new ATOM 0 HA PHE A 445 1.944 8.425 6.151 1.00 0.00 H new ATOM 0 HB2 PHE A 445 -0.600 8.458 6.702 1.00 0.00 H new ATOM 0 HB3 PHE A 445 -0.146 7.918 5.098 1.00 0.00 H new ATOM 0 HD1 PHE A 445 -1.011 6.588 8.511 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -0.958 5.855 4.273 1.00 0.00 H new ATOM 0 HE1 PHE A 445 -2.107 4.399 8.878 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -2.070 3.665 4.638 1.00 0.00 H new ATOM 0 HZ PHE A 445 -2.639 2.927 6.945 1.00 0.00 H new ATOM 328 N PRO A 446 1.445 9.006 8.669 1.00 0.00 N ATOM 329 CA PRO A 446 1.292 9.265 10.106 1.00 0.00 C ATOM 330 C PRO A 446 0.029 8.609 10.691 1.00 0.00 C ATOM 331 O PRO A 446 -1.014 8.566 10.035 1.00 0.00 O ATOM 332 CB PRO A 446 1.212 10.792 10.245 1.00 0.00 C ATOM 333 CG PRO A 446 1.921 11.313 8.997 1.00 0.00 C ATOM 334 CD PRO A 446 1.594 10.257 7.944 1.00 0.00 C ATOM 0 HA PRO A 446 2.129 8.838 10.659 1.00 0.00 H new ATOM 0 HB2 PRO A 446 0.178 11.135 10.290 1.00 0.00 H new ATOM 0 HB3 PRO A 446 1.702 11.136 11.156 1.00 0.00 H new ATOM 0 HG2 PRO A 446 1.554 12.298 8.707 1.00 0.00 H new ATOM 0 HG3 PRO A 446 2.996 11.406 9.154 1.00 0.00 H new ATOM 0 HD2 PRO A 446 0.679 10.510 7.408 1.00 0.00 H new ATOM 0 HD3 PRO A 446 2.389 10.186 7.202 1.00 0.00 H new ATOM 342 N LYS A 447 0.086 8.156 11.951 1.00 0.00 N ATOM 343 CA LYS A 447 -1.026 7.451 12.630 1.00 0.00 C ATOM 344 C LYS A 447 -2.346 8.234 12.725 1.00 0.00 C ATOM 345 O LYS A 447 -3.405 7.633 12.909 1.00 0.00 O ATOM 346 CB LYS A 447 -0.570 6.938 14.010 1.00 0.00 C ATOM 347 CG LYS A 447 -0.286 8.060 15.023 1.00 0.00 C ATOM 348 CD LYS A 447 0.152 7.483 16.375 1.00 0.00 C ATOM 349 CE LYS A 447 0.400 8.621 17.372 1.00 0.00 C ATOM 350 NZ LYS A 447 0.814 8.102 18.702 1.00 0.00 N ATOM 0 H LYS A 447 0.912 8.267 12.540 1.00 0.00 H new ATOM 0 HA LYS A 447 -1.269 6.607 11.985 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -1.339 6.280 14.416 1.00 0.00 H new ATOM 0 HB3 LYS A 447 0.331 6.337 13.885 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.492 8.717 14.635 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -1.180 8.669 15.156 1.00 0.00 H new ATOM 0 HD2 LYS A 447 -0.616 6.812 16.760 1.00 0.00 H new ATOM 0 HD3 LYS A 447 1.059 6.892 16.251 1.00 0.00 H new ATOM 0 HE2 LYS A 447 1.172 9.284 16.983 1.00 0.00 H new ATOM 0 HE3 LYS A 447 -0.507 9.216 17.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 0.973 8.899 19.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 0.066 7.489 19.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 1.693 7.555 18.603 1.00 0.00 H new ATOM 364 N GLU A 448 -2.308 9.557 12.565 1.00 0.00 N ATOM 365 CA GLU A 448 -3.492 10.431 12.523 1.00 0.00 C ATOM 366 C GLU A 448 -4.425 10.165 11.319 1.00 0.00 C ATOM 367 O GLU A 448 -5.596 10.553 11.357 1.00 0.00 O ATOM 368 CB GLU A 448 -3.042 11.903 12.510 1.00 0.00 C ATOM 369 CG GLU A 448 -2.240 12.334 13.749 1.00 0.00 C ATOM 370 CD GLU A 448 -3.070 12.242 15.045 1.00 0.00 C ATOM 371 OE1 GLU A 448 -3.915 13.135 15.297 1.00 0.00 O ATOM 372 OE2 GLU A 448 -2.878 11.279 15.829 1.00 0.00 O ATOM 0 H GLU A 448 -1.432 10.069 12.458 1.00 0.00 H new ATOM 0 HA GLU A 448 -4.073 10.206 13.417 1.00 0.00 H new ATOM 0 HB2 GLU A 448 -2.435 12.077 11.621 1.00 0.00 H new ATOM 0 HB3 GLU A 448 -3.923 12.539 12.424 1.00 0.00 H new ATOM 0 HG2 GLU A 448 -1.354 11.706 13.842 1.00 0.00 H new ATOM 0 HG3 GLU A 448 -1.892 13.358 13.615 1.00 0.00 H new ATOM 379 N TRP A 449 -3.935 9.507 10.259 1.00 0.00 N ATOM 380 CA TRP A 449 -4.730 9.105 9.088 1.00 0.00 C ATOM 381 C TRP A 449 -5.778 8.022 9.410 1.00 0.00 C ATOM 382 O TRP A 449 -5.679 7.303 10.410 1.00 0.00 O ATOM 383 CB TRP A 449 -3.791 8.617 7.974 1.00 0.00 C ATOM 384 CG TRP A 449 -3.084 9.685 7.191 1.00 0.00 C ATOM 385 CD1 TRP A 449 -2.256 10.629 7.694 1.00 0.00 C ATOM 386 CD2 TRP A 449 -3.131 9.928 5.749 1.00 0.00 C ATOM 387 NE1 TRP A 449 -1.800 11.442 6.674 1.00 0.00 N ATOM 388 CE2 TRP A 449 -2.308 11.057 5.453 1.00 0.00 C ATOM 389 CE3 TRP A 449 -3.787 9.311 4.660 1.00 0.00 C ATOM 390 CZ2 TRP A 449 -2.152 11.557 4.151 1.00 0.00 C ATOM 391 CZ3 TRP A 449 -3.644 9.809 3.349 1.00 0.00 C ATOM 392 CH2 TRP A 449 -2.830 10.928 3.093 1.00 0.00 C ATOM 0 H TRP A 449 -2.955 9.233 10.189 1.00 0.00 H new ATOM 0 HA TRP A 449 -5.284 9.984 8.759 1.00 0.00 H new ATOM 0 HB2 TRP A 449 -3.040 7.964 8.420 1.00 0.00 H new ATOM 0 HB3 TRP A 449 -4.370 8.009 7.279 1.00 0.00 H new ATOM 0 HD1 TRP A 449 -1.991 10.732 8.736 1.00 0.00 H new ATOM 0 HE1 TRP A 449 -1.166 12.230 6.809 1.00 0.00 H new ATOM 0 HE3 TRP A 449 -4.408 8.445 4.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 449 -1.520 12.413 3.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 449 -4.164 9.327 2.534 1.00 0.00 H new ATOM 0 HH2 TRP A 449 -2.727 11.303 2.085 1.00 0.00 H new ATOM 403 N LYS A 450 -6.760 7.873 8.512 1.00 0.00 N ATOM 404 CA LYS A 450 -7.863 6.906 8.554 1.00 0.00 C ATOM 405 C LYS A 450 -8.195 6.391 7.147 1.00 0.00 C ATOM 406 O LYS A 450 -7.770 6.952 6.136 1.00 0.00 O ATOM 407 CB LYS A 450 -9.059 7.601 9.210 1.00 0.00 C ATOM 408 CG LYS A 450 -10.231 6.665 9.530 1.00 0.00 C ATOM 409 CD LYS A 450 -11.079 7.265 10.648 1.00 0.00 C ATOM 410 CE LYS A 450 -12.410 6.519 10.788 1.00 0.00 C ATOM 411 NZ LYS A 450 -13.253 7.108 11.860 1.00 0.00 N ATOM 0 H LYS A 450 -6.808 8.464 7.682 1.00 0.00 H new ATOM 0 HA LYS A 450 -7.585 6.028 9.138 1.00 0.00 H new ATOM 0 HB2 LYS A 450 -8.727 8.078 10.132 1.00 0.00 H new ATOM 0 HB3 LYS A 450 -9.411 8.394 8.550 1.00 0.00 H new ATOM 0 HG2 LYS A 450 -10.841 6.513 8.640 1.00 0.00 H new ATOM 0 HG3 LYS A 450 -9.856 5.687 9.830 1.00 0.00 H new ATOM 0 HD2 LYS A 450 -10.531 7.219 11.589 1.00 0.00 H new ATOM 0 HD3 LYS A 450 -11.268 8.318 10.441 1.00 0.00 H new ATOM 0 HE2 LYS A 450 -12.948 6.552 9.841 1.00 0.00 H new ATOM 0 HE3 LYS A 450 -12.219 5.469 11.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 450 -14.146 6.580 11.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 450 -12.748 7.054 12.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 450 -13.455 8.103 11.635 1.00 0.00 H new ATOM 425 N THR A 451 -9.033 5.361 7.088 1.00 0.00 N ATOM 426 CA THR A 451 -9.629 4.791 5.868 1.00 0.00 C ATOM 427 C THR A 451 -10.295 5.863 4.995 1.00 0.00 C ATOM 428 O THR A 451 -10.294 5.765 3.772 1.00 0.00 O ATOM 429 CB THR A 451 -10.678 3.724 6.236 1.00 0.00 C ATOM 430 OG1 THR A 451 -10.249 2.921 7.317 1.00 0.00 O ATOM 431 CG2 THR A 451 -10.988 2.784 5.075 1.00 0.00 C ATOM 0 H THR A 451 -9.335 4.870 7.930 1.00 0.00 H new ATOM 0 HA THR A 451 -8.816 4.341 5.298 1.00 0.00 H new ATOM 0 HB THR A 451 -11.572 4.287 6.505 1.00 0.00 H new ATOM 0 HG1 THR A 451 -9.316 2.656 7.178 1.00 0.00 H new ATOM 0 HG21 THR A 451 -11.733 2.052 5.388 1.00 0.00 H new ATOM 0 HG22 THR A 451 -11.376 3.359 4.235 1.00 0.00 H new ATOM 0 HG23 THR A 451 -10.077 2.268 4.772 1.00 0.00 H new ATOM 439 N SER A 452 -10.824 6.928 5.605 1.00 0.00 N ATOM 440 CA SER A 452 -11.439 8.062 4.908 1.00 0.00 C ATOM 441 C SER A 452 -10.439 9.006 4.242 1.00 0.00 C ATOM 442 O SER A 452 -10.631 9.384 3.087 1.00 0.00 O ATOM 443 CB SER A 452 -12.267 8.859 5.900 1.00 0.00 C ATOM 444 OG SER A 452 -11.544 9.141 7.090 1.00 0.00 O ATOM 0 H SER A 452 -10.837 7.028 6.620 1.00 0.00 H new ATOM 0 HA SER A 452 -12.048 7.637 4.110 1.00 0.00 H new ATOM 0 HB2 SER A 452 -12.585 9.794 5.439 1.00 0.00 H new ATOM 0 HB3 SER A 452 -13.171 8.302 6.148 1.00 0.00 H new ATOM 0 HG SER A 452 -12.110 9.656 7.702 1.00 0.00 H new ATOM 450 N ASP A 453 -9.338 9.341 4.921 1.00 0.00 N ATOM 451 CA ASP A 453 -8.205 10.045 4.307 1.00 0.00 C ATOM 452 C ASP A 453 -7.597 9.208 3.169 1.00 0.00 C ATOM 453 O ASP A 453 -7.046 9.756 2.213 1.00 0.00 O ATOM 454 CB ASP A 453 -7.122 10.358 5.349 1.00 0.00 C ATOM 455 CG ASP A 453 -7.627 11.255 6.486 1.00 0.00 C ATOM 456 OD1 ASP A 453 -7.952 12.441 6.233 1.00 0.00 O ATOM 457 OD2 ASP A 453 -7.677 10.775 7.643 1.00 0.00 O ATOM 0 H ASP A 453 -9.206 9.133 5.911 1.00 0.00 H new ATOM 0 HA ASP A 453 -8.582 10.983 3.899 1.00 0.00 H new ATOM 0 HB2 ASP A 453 -6.749 9.424 5.769 1.00 0.00 H new ATOM 0 HB3 ASP A 453 -6.281 10.845 4.856 1.00 0.00 H new ATOM 462 N LEU A 454 -7.753 7.879 3.239 1.00 0.00 N ATOM 463 CA LEU A 454 -7.291 6.967 2.183 1.00 0.00 C ATOM 464 C LEU A 454 -8.264 6.947 0.990 1.00 0.00 C ATOM 465 O LEU A 454 -7.824 7.097 -0.152 1.00 0.00 O ATOM 466 CB LEU A 454 -7.024 5.565 2.761 1.00 0.00 C ATOM 467 CG LEU A 454 -5.758 5.475 3.637 1.00 0.00 C ATOM 468 CD1 LEU A 454 -5.727 4.126 4.358 1.00 0.00 C ATOM 469 CD2 LEU A 454 -4.472 5.600 2.813 1.00 0.00 C ATOM 0 H LEU A 454 -8.201 7.407 4.025 1.00 0.00 H new ATOM 0 HA LEU A 454 -6.344 7.338 1.792 1.00 0.00 H new ATOM 0 HB2 LEU A 454 -7.886 5.258 3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 454 -6.935 4.856 1.938 1.00 0.00 H new ATOM 0 HG LEU A 454 -5.801 6.303 4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 454 -4.832 4.064 4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 454 -6.611 4.030 4.989 1.00 0.00 H new ATOM 0 HD13 LEU A 454 -5.716 3.321 3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 454 -3.608 5.531 3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 454 -4.432 4.797 2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 454 -4.460 6.562 2.300 1.00 0.00 H new ATOM 481 N TYR A 455 -9.580 6.876 1.218 1.00 0.00 N ATOM 482 CA TYR A 455 -10.578 7.083 0.158 1.00 0.00 C ATOM 483 C TYR A 455 -10.424 8.454 -0.524 1.00 0.00 C ATOM 484 O TYR A 455 -10.563 8.544 -1.743 1.00 0.00 O ATOM 485 CB TYR A 455 -12.009 6.904 0.696 1.00 0.00 C ATOM 486 CG TYR A 455 -12.478 5.463 0.829 1.00 0.00 C ATOM 487 CD1 TYR A 455 -12.599 4.658 -0.322 1.00 0.00 C ATOM 488 CD2 TYR A 455 -12.852 4.941 2.084 1.00 0.00 C ATOM 489 CE1 TYR A 455 -13.046 3.326 -0.216 1.00 0.00 C ATOM 490 CE2 TYR A 455 -13.312 3.614 2.194 1.00 0.00 C ATOM 491 CZ TYR A 455 -13.397 2.797 1.044 1.00 0.00 C ATOM 492 OH TYR A 455 -13.830 1.509 1.140 1.00 0.00 O ATOM 0 H TYR A 455 -9.983 6.675 2.133 1.00 0.00 H new ATOM 0 HA TYR A 455 -10.396 6.319 -0.598 1.00 0.00 H new ATOM 0 HB2 TYR A 455 -12.074 7.382 1.674 1.00 0.00 H new ATOM 0 HB3 TYR A 455 -12.696 7.433 0.036 1.00 0.00 H new ATOM 0 HD1 TYR A 455 -12.348 5.065 -1.290 1.00 0.00 H new ATOM 0 HD2 TYR A 455 -12.786 5.561 2.965 1.00 0.00 H new ATOM 0 HE1 TYR A 455 -13.120 2.710 -1.100 1.00 0.00 H new ATOM 0 HE2 TYR A 455 -13.600 3.221 3.158 1.00 0.00 H new ATOM 0 HH TYR A 455 -14.030 1.300 2.076 1.00 0.00 H new ATOM 502 N GLN A 456 -10.081 9.512 0.222 1.00 0.00 N ATOM 503 CA GLN A 456 -9.810 10.848 -0.325 1.00 0.00 C ATOM 504 C GLN A 456 -8.518 10.905 -1.171 1.00 0.00 C ATOM 505 O GLN A 456 -8.492 11.574 -2.206 1.00 0.00 O ATOM 506 CB GLN A 456 -9.770 11.857 0.836 1.00 0.00 C ATOM 507 CG GLN A 456 -9.734 13.315 0.353 1.00 0.00 C ATOM 508 CD GLN A 456 -9.805 14.300 1.520 1.00 0.00 C ATOM 509 OE1 GLN A 456 -8.880 14.440 2.312 1.00 0.00 O ATOM 510 NE2 GLN A 456 -10.895 15.025 1.677 1.00 0.00 N ATOM 0 H GLN A 456 -9.983 9.464 1.236 1.00 0.00 H new ATOM 0 HA GLN A 456 -10.615 11.106 -1.013 1.00 0.00 H new ATOM 0 HB2 GLN A 456 -10.644 11.710 1.470 1.00 0.00 H new ATOM 0 HB3 GLN A 456 -8.893 11.661 1.452 1.00 0.00 H new ATOM 0 HG2 GLN A 456 -8.819 13.488 -0.214 1.00 0.00 H new ATOM 0 HG3 GLN A 456 -10.568 13.494 -0.325 1.00 0.00 H new ATOM 0 HE21 GLN A 456 -11.674 14.921 1.027 1.00 0.00 H new ATOM 0 HE22 GLN A 456 -10.959 15.690 2.448 1.00 0.00 H new ATOM 519 N LEU A 457 -7.458 10.188 -0.772 1.00 0.00 N ATOM 520 CA LEU A 457 -6.190 10.099 -1.513 1.00 0.00 C ATOM 521 C LEU A 457 -6.324 9.332 -2.848 1.00 0.00 C ATOM 522 O LEU A 457 -5.605 9.628 -3.805 1.00 0.00 O ATOM 523 CB LEU A 457 -5.133 9.466 -0.581 1.00 0.00 C ATOM 524 CG LEU A 457 -3.736 9.243 -1.196 1.00 0.00 C ATOM 525 CD1 LEU A 457 -3.095 10.538 -1.696 1.00 0.00 C ATOM 526 CD2 LEU A 457 -2.799 8.631 -0.152 1.00 0.00 C ATOM 0 H LEU A 457 -7.457 9.643 0.090 1.00 0.00 H new ATOM 0 HA LEU A 457 -5.876 11.102 -1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -5.024 10.102 0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -5.513 8.505 -0.233 1.00 0.00 H new ATOM 0 HG LEU A 457 -3.878 8.576 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -2.114 10.319 -2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -3.728 10.985 -2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -2.985 11.234 -0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -1.814 8.476 -0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -2.713 9.306 0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -3.201 7.675 0.182 1.00 0.00 H new ATOM 538 N PHE A 458 -7.267 8.389 -2.936 1.00 0.00 N ATOM 539 CA PHE A 458 -7.418 7.457 -4.067 1.00 0.00 C ATOM 540 C PHE A 458 -8.754 7.597 -4.837 1.00 0.00 C ATOM 541 O PHE A 458 -9.049 6.792 -5.724 1.00 0.00 O ATOM 542 CB PHE A 458 -7.184 6.031 -3.541 1.00 0.00 C ATOM 543 CG PHE A 458 -5.733 5.685 -3.256 1.00 0.00 C ATOM 544 CD1 PHE A 458 -4.934 5.151 -4.283 1.00 0.00 C ATOM 545 CD2 PHE A 458 -5.184 5.852 -1.971 1.00 0.00 C ATOM 546 CE1 PHE A 458 -3.601 4.791 -4.031 1.00 0.00 C ATOM 547 CE2 PHE A 458 -3.849 5.494 -1.718 1.00 0.00 C ATOM 548 CZ PHE A 458 -3.058 4.954 -2.747 1.00 0.00 C ATOM 0 H PHE A 458 -7.966 8.246 -2.207 1.00 0.00 H new ATOM 0 HA PHE A 458 -6.671 7.708 -4.820 1.00 0.00 H new ATOM 0 HB2 PHE A 458 -7.761 5.898 -2.626 1.00 0.00 H new ATOM 0 HB3 PHE A 458 -7.575 5.322 -4.270 1.00 0.00 H new ATOM 0 HD1 PHE A 458 -5.349 5.017 -5.271 1.00 0.00 H new ATOM 0 HD2 PHE A 458 -5.792 6.257 -1.175 1.00 0.00 H new ATOM 0 HE1 PHE A 458 -2.992 4.388 -4.827 1.00 0.00 H new ATOM 0 HE2 PHE A 458 -3.430 5.634 -0.732 1.00 0.00 H new ATOM 0 HZ PHE A 458 -2.036 4.666 -2.550 1.00 0.00 H new ATOM 558 N SER A 459 -9.561 8.628 -4.552 1.00 0.00 N ATOM 559 CA SER A 459 -10.880 8.866 -5.175 1.00 0.00 C ATOM 560 C SER A 459 -10.858 9.003 -6.706 1.00 0.00 C ATOM 561 O SER A 459 -11.840 8.661 -7.371 1.00 0.00 O ATOM 562 CB SER A 459 -11.538 10.116 -4.572 1.00 0.00 C ATOM 563 OG SER A 459 -10.737 11.268 -4.796 1.00 0.00 O ATOM 0 H SER A 459 -9.313 9.340 -3.865 1.00 0.00 H new ATOM 0 HA SER A 459 -11.458 7.969 -4.955 1.00 0.00 H new ATOM 0 HB2 SER A 459 -12.524 10.262 -5.014 1.00 0.00 H new ATOM 0 HB3 SER A 459 -11.686 9.974 -3.502 1.00 0.00 H new ATOM 0 HG SER A 459 -11.176 12.052 -4.405 1.00 0.00 H new ATOM 569 N ALA A 460 -9.735 9.450 -7.280 1.00 0.00 N ATOM 570 CA ALA A 460 -9.529 9.613 -8.723 1.00 0.00 C ATOM 571 C ALA A 460 -9.680 8.312 -9.547 1.00 0.00 C ATOM 572 O ALA A 460 -9.882 8.371 -10.763 1.00 0.00 O ATOM 573 CB ALA A 460 -8.141 10.234 -8.932 1.00 0.00 C ATOM 0 H ALA A 460 -8.917 9.717 -6.733 1.00 0.00 H new ATOM 0 HA ALA A 460 -10.320 10.263 -9.097 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -7.959 10.368 -9.998 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -8.096 11.202 -8.432 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -7.381 9.574 -8.514 1.00 0.00 H new ATOM 579 N PHE A 461 -9.605 7.141 -8.900 1.00 0.00 N ATOM 580 CA PHE A 461 -9.667 5.821 -9.542 1.00 0.00 C ATOM 581 C PHE A 461 -11.079 5.200 -9.580 1.00 0.00 C ATOM 582 O PHE A 461 -11.260 4.103 -10.114 1.00 0.00 O ATOM 583 CB PHE A 461 -8.630 4.917 -8.858 1.00 0.00 C ATOM 584 CG PHE A 461 -7.212 5.464 -8.944 1.00 0.00 C ATOM 585 CD1 PHE A 461 -6.639 5.761 -10.198 1.00 0.00 C ATOM 586 CD2 PHE A 461 -6.477 5.720 -7.772 1.00 0.00 C ATOM 587 CE1 PHE A 461 -5.339 6.291 -10.279 1.00 0.00 C ATOM 588 CE2 PHE A 461 -5.178 6.256 -7.852 1.00 0.00 C ATOM 589 CZ PHE A 461 -4.606 6.535 -9.105 1.00 0.00 C ATOM 0 H PHE A 461 -9.497 7.084 -7.887 1.00 0.00 H new ATOM 0 HA PHE A 461 -9.423 5.935 -10.598 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -8.902 4.791 -7.810 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -8.660 3.928 -9.316 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -7.202 5.580 -11.102 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -6.911 5.504 -6.807 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -4.904 6.510 -11.243 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.620 6.453 -6.949 1.00 0.00 H new ATOM 0 HZ PHE A 461 -3.605 6.936 -9.166 1.00 0.00 H new ATOM 599 N GLY A 462 -12.091 5.901 -9.053 1.00 0.00 N ATOM 600 CA GLY A 462 -13.521 5.582 -9.186 1.00 0.00 C ATOM 601 C GLY A 462 -14.047 4.519 -8.210 1.00 0.00 C ATOM 602 O GLY A 462 -15.086 4.726 -7.578 1.00 0.00 O ATOM 0 H GLY A 462 -11.930 6.742 -8.498 1.00 0.00 H new ATOM 0 HA2 GLY A 462 -14.096 6.497 -9.046 1.00 0.00 H new ATOM 0 HA3 GLY A 462 -13.708 5.241 -10.204 1.00 0.00 H new ATOM 606 N ASN A 463 -13.323 3.409 -8.045 1.00 0.00 N ATOM 607 CA ASN A 463 -13.628 2.342 -7.085 1.00 0.00 C ATOM 608 C ASN A 463 -12.339 1.639 -6.622 1.00 0.00 C ATOM 609 O ASN A 463 -11.478 1.298 -7.439 1.00 0.00 O ATOM 610 CB ASN A 463 -14.610 1.350 -7.738 1.00 0.00 C ATOM 611 CG ASN A 463 -15.052 0.270 -6.764 1.00 0.00 C ATOM 612 OD1 ASN A 463 -14.514 -0.827 -6.720 1.00 0.00 O ATOM 613 ND2 ASN A 463 -16.030 0.554 -5.932 1.00 0.00 N ATOM 0 H ASN A 463 -12.483 3.221 -8.592 1.00 0.00 H new ATOM 0 HA ASN A 463 -14.094 2.768 -6.197 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -15.484 1.890 -8.103 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -14.137 0.887 -8.604 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -16.338 -0.140 -5.251 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -16.480 1.469 -5.967 1.00 0.00 H new ATOM 620 N ILE A 464 -12.215 1.430 -5.306 1.00 0.00 N ATOM 621 CA ILE A 464 -11.020 0.887 -4.635 1.00 0.00 C ATOM 622 C ILE A 464 -11.405 -0.030 -3.458 1.00 0.00 C ATOM 623 O ILE A 464 -12.564 -0.071 -3.036 1.00 0.00 O ATOM 624 CB ILE A 464 -10.082 2.031 -4.155 1.00 0.00 C ATOM 625 CG1 ILE A 464 -10.641 2.785 -2.924 1.00 0.00 C ATOM 626 CG2 ILE A 464 -9.742 3.006 -5.298 1.00 0.00 C ATOM 627 CD1 ILE A 464 -9.713 3.886 -2.404 1.00 0.00 C ATOM 0 H ILE A 464 -12.969 1.641 -4.652 1.00 0.00 H new ATOM 0 HA ILE A 464 -10.479 0.285 -5.365 1.00 0.00 H new ATOM 0 HB ILE A 464 -9.156 1.552 -3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 464 -11.603 3.226 -3.185 1.00 0.00 H new ATOM 0 HG13 ILE A 464 -10.825 2.069 -2.123 1.00 0.00 H new ATOM 0 HG21 ILE A 464 -9.085 3.791 -4.923 1.00 0.00 H new ATOM 0 HG22 ILE A 464 -9.240 2.465 -6.100 1.00 0.00 H new ATOM 0 HG23 ILE A 464 -10.660 3.453 -5.680 1.00 0.00 H new ATOM 0 HD11 ILE A 464 -10.171 4.370 -1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 464 -8.758 3.449 -2.111 1.00 0.00 H new ATOM 0 HD13 ILE A 464 -9.548 4.624 -3.189 1.00 0.00 H new ATOM 639 N GLN A 465 -10.413 -0.709 -2.881 1.00 0.00 N ATOM 640 CA GLN A 465 -10.510 -1.471 -1.629 1.00 0.00 C ATOM 641 C GLN A 465 -9.252 -1.247 -0.768 1.00 0.00 C ATOM 642 O GLN A 465 -8.178 -0.963 -1.298 1.00 0.00 O ATOM 643 CB GLN A 465 -10.721 -2.965 -1.955 1.00 0.00 C ATOM 644 CG GLN A 465 -12.195 -3.347 -2.176 1.00 0.00 C ATOM 645 CD GLN A 465 -13.093 -3.118 -0.957 1.00 0.00 C ATOM 646 OE1 GLN A 465 -12.657 -3.058 0.188 1.00 0.00 O ATOM 647 NE2 GLN A 465 -14.389 -2.979 -1.150 1.00 0.00 N ATOM 0 H GLN A 465 -9.479 -0.746 -3.288 1.00 0.00 H new ATOM 0 HA GLN A 465 -11.365 -1.123 -1.050 1.00 0.00 H new ATOM 0 HB2 GLN A 465 -10.151 -3.217 -2.850 1.00 0.00 H new ATOM 0 HB3 GLN A 465 -10.317 -3.566 -1.140 1.00 0.00 H new ATOM 0 HG2 GLN A 465 -12.586 -2.771 -3.015 1.00 0.00 H new ATOM 0 HG3 GLN A 465 -12.248 -4.398 -2.459 1.00 0.00 H new ATOM 0 HE21 GLN A 465 -14.772 -3.026 -2.094 1.00 0.00 H new ATOM 0 HE22 GLN A 465 -15.009 -2.825 -0.355 1.00 0.00 H new ATOM 656 N ILE A 466 -9.376 -1.359 0.559 1.00 0.00 N ATOM 657 CA ILE A 466 -8.344 -0.971 1.545 1.00 0.00 C ATOM 658 C ILE A 466 -8.188 -2.083 2.598 1.00 0.00 C ATOM 659 O ILE A 466 -9.186 -2.664 3.037 1.00 0.00 O ATOM 660 CB ILE A 466 -8.715 0.390 2.200 1.00 0.00 C ATOM 661 CG1 ILE A 466 -8.887 1.506 1.134 1.00 0.00 C ATOM 662 CG2 ILE A 466 -7.654 0.806 3.244 1.00 0.00 C ATOM 663 CD1 ILE A 466 -9.426 2.839 1.669 1.00 0.00 C ATOM 0 H ILE A 466 -10.219 -1.732 0.996 1.00 0.00 H new ATOM 0 HA ILE A 466 -7.385 -0.845 1.042 1.00 0.00 H new ATOM 0 HB ILE A 466 -9.671 0.258 2.707 1.00 0.00 H new ATOM 0 HG12 ILE A 466 -7.922 1.686 0.660 1.00 0.00 H new ATOM 0 HG13 ILE A 466 -9.561 1.145 0.358 1.00 0.00 H new ATOM 0 HG21 ILE A 466 -7.935 1.761 3.688 1.00 0.00 H new ATOM 0 HG22 ILE A 466 -7.594 0.047 4.024 1.00 0.00 H new ATOM 0 HG23 ILE A 466 -6.684 0.904 2.757 1.00 0.00 H new ATOM 0 HD11 ILE A 466 -9.510 3.553 0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 466 -10.408 2.682 2.116 1.00 0.00 H new ATOM 0 HD13 ILE A 466 -8.743 3.231 2.423 1.00 0.00 H new ATOM 675 N SER A 467 -6.949 -2.384 3.012 1.00 0.00 N ATOM 676 CA SER A 467 -6.638 -3.456 3.978 1.00 0.00 C ATOM 677 C SER A 467 -5.470 -3.094 4.904 1.00 0.00 C ATOM 678 O SER A 467 -4.316 -3.051 4.477 1.00 0.00 O ATOM 679 CB SER A 467 -6.328 -4.753 3.222 1.00 0.00 C ATOM 680 OG SER A 467 -6.409 -5.864 4.102 1.00 0.00 O ATOM 0 H SER A 467 -6.122 -1.886 2.683 1.00 0.00 H new ATOM 0 HA SER A 467 -7.515 -3.591 4.611 1.00 0.00 H new ATOM 0 HB2 SER A 467 -7.031 -4.880 2.399 1.00 0.00 H new ATOM 0 HB3 SER A 467 -5.331 -4.698 2.784 1.00 0.00 H new ATOM 0 HG SER A 467 -6.211 -6.687 3.609 1.00 0.00 H new ATOM 686 N TRP A 468 -5.752 -2.804 6.174 1.00 0.00 N ATOM 687 CA TRP A 468 -4.744 -2.430 7.177 1.00 0.00 C ATOM 688 C TRP A 468 -3.720 -3.537 7.473 1.00 0.00 C ATOM 689 O TRP A 468 -4.055 -4.726 7.475 1.00 0.00 O ATOM 690 CB TRP A 468 -5.454 -2.050 8.477 1.00 0.00 C ATOM 691 CG TRP A 468 -6.312 -0.829 8.389 1.00 0.00 C ATOM 692 CD1 TRP A 468 -7.653 -0.809 8.225 1.00 0.00 C ATOM 693 CD2 TRP A 468 -5.909 0.563 8.526 1.00 0.00 C ATOM 694 NE1 TRP A 468 -8.094 0.501 8.165 1.00 0.00 N ATOM 695 CE2 TRP A 468 -7.060 1.388 8.365 1.00 0.00 C ATOM 696 CE3 TRP A 468 -4.691 1.207 8.819 1.00 0.00 C ATOM 697 CZ2 TRP A 468 -6.996 2.785 8.448 1.00 0.00 C ATOM 698 CZ3 TRP A 468 -4.627 2.607 8.944 1.00 0.00 C ATOM 699 CH2 TRP A 468 -5.768 3.402 8.739 1.00 0.00 C ATOM 0 H TRP A 468 -6.702 -2.821 6.545 1.00 0.00 H new ATOM 0 HA TRP A 468 -4.186 -1.591 6.761 1.00 0.00 H new ATOM 0 HB2 TRP A 468 -6.072 -2.889 8.795 1.00 0.00 H new ATOM 0 HB3 TRP A 468 -4.704 -1.895 9.252 1.00 0.00 H new ATOM 0 HD1 TRP A 468 -8.284 -1.682 8.152 1.00 0.00 H new ATOM 0 HE1 TRP A 468 -9.062 0.775 7.994 1.00 0.00 H new ATOM 0 HE3 TRP A 468 -3.795 0.619 8.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 468 -7.882 3.382 8.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 468 -3.689 3.077 9.201 1.00 0.00 H new ATOM 0 HH2 TRP A 468 -5.701 4.478 8.805 1.00 0.00 H new ATOM 710 N ILE A 469 -2.489 -3.131 7.817 1.00 0.00 N ATOM 711 CA ILE A 469 -1.416 -4.013 8.306 1.00 0.00 C ATOM 712 C ILE A 469 -0.669 -3.458 9.531 1.00 0.00 C ATOM 713 O ILE A 469 -0.071 -4.231 10.283 1.00 0.00 O ATOM 714 CB ILE A 469 -0.416 -4.346 7.179 1.00 0.00 C ATOM 715 CG1 ILE A 469 0.194 -3.096 6.509 1.00 0.00 C ATOM 716 CG2 ILE A 469 -1.072 -5.273 6.146 1.00 0.00 C ATOM 717 CD1 ILE A 469 1.347 -3.419 5.554 1.00 0.00 C ATOM 0 H ILE A 469 -2.203 -2.153 7.762 1.00 0.00 H new ATOM 0 HA ILE A 469 -1.913 -4.926 8.633 1.00 0.00 H new ATOM 0 HB ILE A 469 0.422 -4.866 7.643 1.00 0.00 H new ATOM 0 HG12 ILE A 469 -0.587 -2.570 5.959 1.00 0.00 H new ATOM 0 HG13 ILE A 469 0.552 -2.417 7.282 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -0.357 -5.501 5.356 1.00 0.00 H new ATOM 0 HG22 ILE A 469 -1.382 -6.198 6.632 1.00 0.00 H new ATOM 0 HG23 ILE A 469 -1.943 -4.779 5.716 1.00 0.00 H new ATOM 0 HD11 ILE A 469 1.728 -2.495 5.119 1.00 0.00 H new ATOM 0 HD12 ILE A 469 2.145 -3.918 6.103 1.00 0.00 H new ATOM 0 HD13 ILE A 469 0.989 -4.074 4.760 1.00 0.00 H new ATOM 729 N ASP A 470 -0.724 -2.146 9.772 1.00 0.00 N ATOM 730 CA ASP A 470 -0.184 -1.489 10.971 1.00 0.00 C ATOM 731 C ASP A 470 -0.941 -0.181 11.280 1.00 0.00 C ATOM 732 O ASP A 470 -1.816 0.252 10.528 1.00 0.00 O ATOM 733 CB ASP A 470 1.324 -1.211 10.782 1.00 0.00 C ATOM 734 CG ASP A 470 2.138 -1.412 12.073 1.00 0.00 C ATOM 735 OD1 ASP A 470 1.837 -0.756 13.098 1.00 0.00 O ATOM 736 OD2 ASP A 470 3.094 -2.226 12.069 1.00 0.00 O ATOM 0 H ASP A 470 -1.157 -1.490 9.122 1.00 0.00 H new ATOM 0 HA ASP A 470 -0.320 -2.158 11.821 1.00 0.00 H new ATOM 0 HB2 ASP A 470 1.715 -1.869 10.006 1.00 0.00 H new ATOM 0 HB3 ASP A 470 1.458 -0.188 10.430 1.00 0.00 H new ATOM 741 N ASP A 471 -0.557 0.492 12.361 1.00 0.00 N ATOM 742 CA ASP A 471 -1.080 1.811 12.754 1.00 0.00 C ATOM 743 C ASP A 471 -0.682 2.928 11.766 1.00 0.00 C ATOM 744 O ASP A 471 -1.267 4.011 11.784 1.00 0.00 O ATOM 745 CB ASP A 471 -0.571 2.176 14.162 1.00 0.00 C ATOM 746 CG ASP A 471 -1.255 1.419 15.313 1.00 0.00 C ATOM 747 OD1 ASP A 471 -1.915 0.378 15.093 1.00 0.00 O ATOM 748 OD2 ASP A 471 -1.166 1.900 16.471 1.00 0.00 O ATOM 0 H ASP A 471 0.144 0.132 13.009 1.00 0.00 H new ATOM 0 HA ASP A 471 -2.167 1.736 12.746 1.00 0.00 H new ATOM 0 HB2 ASP A 471 0.501 1.984 14.206 1.00 0.00 H new ATOM 0 HB3 ASP A 471 -0.710 3.246 14.317 1.00 0.00 H new ATOM 753 N THR A 472 0.301 2.672 10.900 1.00 0.00 N ATOM 754 CA THR A 472 0.930 3.632 9.972 1.00 0.00 C ATOM 755 C THR A 472 1.056 3.088 8.541 1.00 0.00 C ATOM 756 O THR A 472 1.705 3.709 7.694 1.00 0.00 O ATOM 757 CB THR A 472 2.322 4.039 10.495 1.00 0.00 C ATOM 758 OG1 THR A 472 3.105 2.886 10.750 1.00 0.00 O ATOM 759 CG2 THR A 472 2.236 4.844 11.795 1.00 0.00 C ATOM 0 H THR A 472 0.706 1.740 10.818 1.00 0.00 H new ATOM 0 HA THR A 472 0.274 4.501 9.929 1.00 0.00 H new ATOM 0 HB THR A 472 2.778 4.658 9.722 1.00 0.00 H new ATOM 0 HG1 THR A 472 3.987 3.156 11.080 1.00 0.00 H new ATOM 0 HG21 THR A 472 3.240 5.109 12.126 1.00 0.00 H new ATOM 0 HG22 THR A 472 1.659 5.753 11.623 1.00 0.00 H new ATOM 0 HG23 THR A 472 1.747 4.244 12.563 1.00 0.00 H new ATOM 767 N SER A 473 0.448 1.925 8.253 1.00 0.00 N ATOM 768 CA SER A 473 0.516 1.249 6.950 1.00 0.00 C ATOM 769 C SER A 473 -0.740 0.438 6.615 1.00 0.00 C ATOM 770 O SER A 473 -1.310 -0.256 7.464 1.00 0.00 O ATOM 771 CB SER A 473 1.715 0.294 6.904 1.00 0.00 C ATOM 772 OG SER A 473 2.911 0.970 6.568 1.00 0.00 O ATOM 0 H SER A 473 -0.116 1.419 8.936 1.00 0.00 H new ATOM 0 HA SER A 473 0.613 2.047 6.214 1.00 0.00 H new ATOM 0 HB2 SER A 473 1.831 -0.191 7.873 1.00 0.00 H new ATOM 0 HB3 SER A 473 1.525 -0.493 6.175 1.00 0.00 H new ATOM 0 HG SER A 473 2.827 1.918 6.801 1.00 0.00 H new ATOM 778 N ALA A 474 -1.116 0.460 5.335 1.00 0.00 N ATOM 779 CA ALA A 474 -2.208 -0.324 4.756 1.00 0.00 C ATOM 780 C ALA A 474 -1.952 -0.630 3.268 1.00 0.00 C ATOM 781 O ALA A 474 -1.169 0.058 2.605 1.00 0.00 O ATOM 782 CB ALA A 474 -3.514 0.469 4.928 1.00 0.00 C ATOM 0 H ALA A 474 -0.649 1.049 4.645 1.00 0.00 H new ATOM 0 HA ALA A 474 -2.279 -1.282 5.271 1.00 0.00 H new ATOM 0 HB1 ALA A 474 -4.342 -0.098 4.503 1.00 0.00 H new ATOM 0 HB2 ALA A 474 -3.698 0.641 5.988 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -3.428 1.427 4.415 1.00 0.00 H new ATOM 788 N PHE A 475 -2.634 -1.643 2.731 1.00 0.00 N ATOM 789 CA PHE A 475 -2.696 -1.911 1.297 1.00 0.00 C ATOM 790 C PHE A 475 -3.872 -1.155 0.670 1.00 0.00 C ATOM 791 O PHE A 475 -4.887 -0.910 1.329 1.00 0.00 O ATOM 792 CB PHE A 475 -2.879 -3.413 1.029 1.00 0.00 C ATOM 793 CG PHE A 475 -1.758 -4.307 1.517 1.00 0.00 C ATOM 794 CD1 PHE A 475 -0.452 -4.138 1.017 1.00 0.00 C ATOM 795 CD2 PHE A 475 -2.024 -5.337 2.439 1.00 0.00 C ATOM 796 CE1 PHE A 475 0.590 -4.966 1.468 1.00 0.00 C ATOM 797 CE2 PHE A 475 -0.990 -6.191 2.857 1.00 0.00 C ATOM 798 CZ PHE A 475 0.318 -5.999 2.383 1.00 0.00 C ATOM 0 H PHE A 475 -3.166 -2.309 3.291 1.00 0.00 H new ATOM 0 HA PHE A 475 -1.758 -1.577 0.854 1.00 0.00 H new ATOM 0 HB2 PHE A 475 -3.808 -3.737 1.498 1.00 0.00 H new ATOM 0 HB3 PHE A 475 -2.996 -3.560 -0.045 1.00 0.00 H new ATOM 0 HD1 PHE A 475 -0.251 -3.370 0.285 1.00 0.00 H new ATOM 0 HD2 PHE A 475 -3.024 -5.471 2.825 1.00 0.00 H new ATOM 0 HE1 PHE A 475 1.598 -4.809 1.113 1.00 0.00 H new ATOM 0 HE2 PHE A 475 -1.201 -6.997 3.544 1.00 0.00 H new ATOM 0 HZ PHE A 475 1.115 -6.645 2.721 1.00 0.00 H new ATOM 808 N VAL A 476 -3.766 -0.866 -0.629 1.00 0.00 N ATOM 809 CA VAL A 476 -4.849 -0.307 -1.449 1.00 0.00 C ATOM 810 C VAL A 476 -4.931 -1.079 -2.766 1.00 0.00 C ATOM 811 O VAL A 476 -4.022 -1.038 -3.595 1.00 0.00 O ATOM 812 CB VAL A 476 -4.696 1.213 -1.678 1.00 0.00 C ATOM 813 CG1 VAL A 476 -5.867 1.760 -2.504 1.00 0.00 C ATOM 814 CG2 VAL A 476 -4.680 1.981 -0.348 1.00 0.00 C ATOM 0 H VAL A 476 -2.905 -1.017 -1.155 1.00 0.00 H new ATOM 0 HA VAL A 476 -5.788 -0.425 -0.908 1.00 0.00 H new ATOM 0 HB VAL A 476 -3.752 1.354 -2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -5.738 2.832 -2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -5.894 1.260 -3.472 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -6.802 1.577 -1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -4.571 3.048 -0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -5.614 1.804 0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -3.844 1.637 0.261 1.00 0.00 H new ATOM 824 N SER A 477 -6.023 -1.818 -2.933 1.00 0.00 N ATOM 825 CA SER A 477 -6.404 -2.513 -4.166 1.00 0.00 C ATOM 826 C SER A 477 -7.172 -1.560 -5.087 1.00 0.00 C ATOM 827 O SER A 477 -8.083 -0.860 -4.635 1.00 0.00 O ATOM 828 CB SER A 477 -7.309 -3.695 -3.802 1.00 0.00 C ATOM 829 OG SER A 477 -6.565 -4.730 -3.183 1.00 0.00 O ATOM 0 H SER A 477 -6.699 -1.957 -2.182 1.00 0.00 H new ATOM 0 HA SER A 477 -5.509 -2.863 -4.680 1.00 0.00 H new ATOM 0 HB2 SER A 477 -8.100 -3.359 -3.131 1.00 0.00 H new ATOM 0 HB3 SER A 477 -7.794 -4.077 -4.700 1.00 0.00 H new ATOM 0 HG SER A 477 -7.163 -5.473 -2.958 1.00 0.00 H new ATOM 835 N LEU A 478 -6.841 -1.554 -6.379 1.00 0.00 N ATOM 836 CA LEU A 478 -7.436 -0.675 -7.398 1.00 0.00 C ATOM 837 C LEU A 478 -8.145 -1.487 -8.498 1.00 0.00 C ATOM 838 O LEU A 478 -7.937 -2.696 -8.629 1.00 0.00 O ATOM 839 CB LEU A 478 -6.338 0.242 -7.979 1.00 0.00 C ATOM 840 CG LEU A 478 -5.620 1.149 -6.957 1.00 0.00 C ATOM 841 CD1 LEU A 478 -4.604 2.032 -7.675 1.00 0.00 C ATOM 842 CD2 LEU A 478 -6.575 2.086 -6.222 1.00 0.00 C ATOM 0 H LEU A 478 -6.130 -2.178 -6.761 1.00 0.00 H new ATOM 0 HA LEU A 478 -8.202 -0.055 -6.933 1.00 0.00 H new ATOM 0 HB2 LEU A 478 -5.592 -0.381 -8.472 1.00 0.00 H new ATOM 0 HB3 LEU A 478 -6.785 0.873 -8.747 1.00 0.00 H new ATOM 0 HG LEU A 478 -5.150 0.480 -6.236 1.00 0.00 H new ATOM 0 HD11 LEU A 478 -4.100 2.670 -6.950 1.00 0.00 H new ATOM 0 HD12 LEU A 478 -3.869 1.405 -8.179 1.00 0.00 H new ATOM 0 HD13 LEU A 478 -5.116 2.653 -8.410 1.00 0.00 H new ATOM 0 HD21 LEU A 478 -6.013 2.699 -5.517 1.00 0.00 H new ATOM 0 HD22 LEU A 478 -7.078 2.731 -6.942 1.00 0.00 H new ATOM 0 HD23 LEU A 478 -7.317 1.498 -5.681 1.00 0.00 H new ATOM 854 N SER A 479 -8.995 -0.829 -9.293 1.00 0.00 N ATOM 855 CA SER A 479 -9.790 -1.481 -10.352 1.00 0.00 C ATOM 856 C SER A 479 -8.960 -1.980 -11.546 1.00 0.00 C ATOM 857 O SER A 479 -9.402 -2.890 -12.253 1.00 0.00 O ATOM 858 CB SER A 479 -10.886 -0.537 -10.865 1.00 0.00 C ATOM 859 OG SER A 479 -11.881 -0.327 -9.874 1.00 0.00 O ATOM 0 H SER A 479 -9.155 0.176 -9.224 1.00 0.00 H new ATOM 0 HA SER A 479 -10.228 -2.360 -9.880 1.00 0.00 H new ATOM 0 HB2 SER A 479 -10.444 0.418 -11.150 1.00 0.00 H new ATOM 0 HB3 SER A 479 -11.343 -0.957 -11.761 1.00 0.00 H new ATOM 0 HG SER A 479 -11.524 0.254 -9.170 1.00 0.00 H new ATOM 865 N GLN A 480 -7.762 -1.427 -11.773 1.00 0.00 N ATOM 866 CA GLN A 480 -6.859 -1.784 -12.879 1.00 0.00 C ATOM 867 C GLN A 480 -5.369 -1.663 -12.484 1.00 0.00 C ATOM 868 O GLN A 480 -5.019 -0.795 -11.678 1.00 0.00 O ATOM 869 CB GLN A 480 -7.141 -0.856 -14.080 1.00 0.00 C ATOM 870 CG GLN A 480 -8.169 -1.437 -15.060 1.00 0.00 C ATOM 871 CD GLN A 480 -8.414 -0.509 -16.249 1.00 0.00 C ATOM 872 OE1 GLN A 480 -9.485 0.062 -16.418 1.00 0.00 O ATOM 873 NE2 GLN A 480 -7.443 -0.314 -17.118 1.00 0.00 N ATOM 0 H GLN A 480 -7.380 -0.695 -11.174 1.00 0.00 H new ATOM 0 HA GLN A 480 -7.048 -2.826 -13.138 1.00 0.00 H new ATOM 0 HB2 GLN A 480 -7.501 0.105 -13.713 1.00 0.00 H new ATOM 0 HB3 GLN A 480 -6.209 -0.665 -14.611 1.00 0.00 H new ATOM 0 HG2 GLN A 480 -7.819 -2.404 -15.421 1.00 0.00 H new ATOM 0 HG3 GLN A 480 -9.109 -1.613 -14.537 1.00 0.00 H new ATOM 0 HE21 GLN A 480 -6.545 -0.781 -16.993 1.00 0.00 H new ATOM 0 HE22 GLN A 480 -7.589 0.304 -17.916 1.00 0.00 H new ATOM 882 N PRO A 481 -4.462 -2.455 -13.093 1.00 0.00 N ATOM 883 CA PRO A 481 -3.015 -2.333 -12.889 1.00 0.00 C ATOM 884 C PRO A 481 -2.416 -1.057 -13.515 1.00 0.00 C ATOM 885 O PRO A 481 -1.352 -0.607 -13.094 1.00 0.00 O ATOM 886 CB PRO A 481 -2.414 -3.605 -13.493 1.00 0.00 C ATOM 887 CG PRO A 481 -3.398 -3.972 -14.601 1.00 0.00 C ATOM 888 CD PRO A 481 -4.746 -3.540 -14.026 1.00 0.00 C ATOM 0 HA PRO A 481 -2.783 -2.235 -11.829 1.00 0.00 H new ATOM 0 HB2 PRO A 481 -1.413 -3.428 -13.887 1.00 0.00 H new ATOM 0 HB3 PRO A 481 -2.329 -4.400 -12.752 1.00 0.00 H new ATOM 0 HG2 PRO A 481 -3.171 -3.450 -15.531 1.00 0.00 H new ATOM 0 HG3 PRO A 481 -3.377 -5.039 -14.821 1.00 0.00 H new ATOM 0 HD2 PRO A 481 -5.418 -3.207 -14.817 1.00 0.00 H new ATOM 0 HD3 PRO A 481 -5.237 -4.371 -13.519 1.00 0.00 H new ATOM 896 N GLU A 482 -3.095 -0.416 -14.472 1.00 0.00 N ATOM 897 CA GLU A 482 -2.711 0.916 -14.972 1.00 0.00 C ATOM 898 C GLU A 482 -2.820 1.995 -13.876 1.00 0.00 C ATOM 899 O GLU A 482 -1.981 2.894 -13.791 1.00 0.00 O ATOM 900 CB GLU A 482 -3.592 1.317 -16.170 1.00 0.00 C ATOM 901 CG GLU A 482 -3.326 0.516 -17.458 1.00 0.00 C ATOM 902 CD GLU A 482 -3.767 -0.961 -17.396 1.00 0.00 C ATOM 903 OE1 GLU A 482 -4.813 -1.264 -16.771 1.00 0.00 O ATOM 904 OE2 GLU A 482 -3.080 -1.824 -17.997 1.00 0.00 O ATOM 0 H GLU A 482 -3.925 -0.801 -14.923 1.00 0.00 H new ATOM 0 HA GLU A 482 -1.669 0.851 -15.286 1.00 0.00 H new ATOM 0 HB2 GLU A 482 -4.639 1.195 -15.891 1.00 0.00 H new ATOM 0 HB3 GLU A 482 -3.439 2.376 -16.378 1.00 0.00 H new ATOM 0 HG2 GLU A 482 -3.843 1.002 -18.286 1.00 0.00 H new ATOM 0 HG3 GLU A 482 -2.260 0.555 -17.681 1.00 0.00 H new ATOM 911 N GLN A 483 -3.823 1.892 -12.997 1.00 0.00 N ATOM 912 CA GLN A 483 -4.052 2.837 -11.895 1.00 0.00 C ATOM 913 C GLN A 483 -2.962 2.743 -10.810 1.00 0.00 C ATOM 914 O GLN A 483 -2.583 3.755 -10.217 1.00 0.00 O ATOM 915 CB GLN A 483 -5.444 2.590 -11.292 1.00 0.00 C ATOM 916 CG GLN A 483 -6.586 2.774 -12.308 1.00 0.00 C ATOM 917 CD GLN A 483 -7.963 2.518 -11.695 1.00 0.00 C ATOM 918 OE1 GLN A 483 -8.160 1.628 -10.879 1.00 0.00 O ATOM 919 NE2 GLN A 483 -8.971 3.283 -12.057 1.00 0.00 N ATOM 0 H GLN A 483 -4.510 1.139 -13.031 1.00 0.00 H new ATOM 0 HA GLN A 483 -4.002 3.848 -12.300 1.00 0.00 H new ATOM 0 HB2 GLN A 483 -5.484 1.578 -10.889 1.00 0.00 H new ATOM 0 HB3 GLN A 483 -5.597 3.272 -10.456 1.00 0.00 H new ATOM 0 HG2 GLN A 483 -6.553 3.788 -12.707 1.00 0.00 H new ATOM 0 HG3 GLN A 483 -6.434 2.095 -13.147 1.00 0.00 H new ATOM 0 HE21 GLN A 483 -8.826 4.030 -12.736 1.00 0.00 H new ATOM 0 HE22 GLN A 483 -9.897 3.129 -11.658 1.00 0.00 H new ATOM 928 N VAL A 484 -2.398 1.545 -10.602 1.00 0.00 N ATOM 929 CA VAL A 484 -1.237 1.294 -9.724 1.00 0.00 C ATOM 930 C VAL A 484 -0.033 2.137 -10.161 1.00 0.00 C ATOM 931 O VAL A 484 0.581 2.813 -9.335 1.00 0.00 O ATOM 932 CB VAL A 484 -0.899 -0.214 -9.717 1.00 0.00 C ATOM 933 CG1 VAL A 484 0.359 -0.617 -8.941 1.00 0.00 C ATOM 934 CG2 VAL A 484 -2.061 -1.019 -9.125 1.00 0.00 C ATOM 0 H VAL A 484 -2.744 0.697 -11.051 1.00 0.00 H new ATOM 0 HA VAL A 484 -1.490 1.592 -8.707 1.00 0.00 H new ATOM 0 HB VAL A 484 -0.715 -0.436 -10.768 1.00 0.00 H new ATOM 0 HG11 VAL A 484 0.496 -1.696 -9.005 1.00 0.00 H new ATOM 0 HG12 VAL A 484 1.227 -0.115 -9.369 1.00 0.00 H new ATOM 0 HG13 VAL A 484 0.250 -0.327 -7.896 1.00 0.00 H new ATOM 0 HG21 VAL A 484 -1.808 -2.079 -9.127 1.00 0.00 H new ATOM 0 HG22 VAL A 484 -2.246 -0.692 -8.102 1.00 0.00 H new ATOM 0 HG23 VAL A 484 -2.957 -0.859 -9.725 1.00 0.00 H new ATOM 944 N GLN A 485 0.269 2.166 -11.464 1.00 0.00 N ATOM 945 CA GLN A 485 1.362 2.975 -12.020 1.00 0.00 C ATOM 946 C GLN A 485 1.129 4.482 -11.822 1.00 0.00 C ATOM 947 O GLN A 485 2.053 5.205 -11.443 1.00 0.00 O ATOM 948 CB GLN A 485 1.543 2.661 -13.516 1.00 0.00 C ATOM 949 CG GLN A 485 1.919 1.196 -13.789 1.00 0.00 C ATOM 950 CD GLN A 485 2.050 0.921 -15.287 1.00 0.00 C ATOM 951 OE1 GLN A 485 1.081 0.921 -16.037 1.00 0.00 O ATOM 952 NE2 GLN A 485 3.244 0.677 -15.790 1.00 0.00 N ATOM 0 H GLN A 485 -0.239 1.628 -12.166 1.00 0.00 H new ATOM 0 HA GLN A 485 2.270 2.712 -11.478 1.00 0.00 H new ATOM 0 HB2 GLN A 485 0.619 2.896 -14.044 1.00 0.00 H new ATOM 0 HB3 GLN A 485 2.317 3.310 -13.925 1.00 0.00 H new ATOM 0 HG2 GLN A 485 2.860 0.962 -13.291 1.00 0.00 H new ATOM 0 HG3 GLN A 485 1.161 0.539 -13.362 1.00 0.00 H new ATOM 0 HE21 GLN A 485 4.063 0.673 -15.181 1.00 0.00 H new ATOM 0 HE22 GLN A 485 3.349 0.493 -16.788 1.00 0.00 H new ATOM 961 N ILE A 486 -0.107 4.958 -12.024 1.00 0.00 N ATOM 962 CA ILE A 486 -0.488 6.369 -11.827 1.00 0.00 C ATOM 963 C ILE A 486 -0.305 6.795 -10.362 1.00 0.00 C ATOM 964 O ILE A 486 0.261 7.856 -10.103 1.00 0.00 O ATOM 965 CB ILE A 486 -1.932 6.626 -12.330 1.00 0.00 C ATOM 966 CG1 ILE A 486 -2.022 6.391 -13.857 1.00 0.00 C ATOM 967 CG2 ILE A 486 -2.394 8.060 -12.001 1.00 0.00 C ATOM 968 CD1 ILE A 486 -3.454 6.339 -14.405 1.00 0.00 C ATOM 0 H ILE A 486 -0.881 4.370 -12.332 1.00 0.00 H new ATOM 0 HA ILE A 486 0.180 6.989 -12.425 1.00 0.00 H new ATOM 0 HB ILE A 486 -2.589 5.925 -11.816 1.00 0.00 H new ATOM 0 HG12 ILE A 486 -1.479 7.186 -14.368 1.00 0.00 H new ATOM 0 HG13 ILE A 486 -1.519 5.455 -14.099 1.00 0.00 H new ATOM 0 HG21 ILE A 486 -3.410 8.208 -12.367 1.00 0.00 H new ATOM 0 HG22 ILE A 486 -2.371 8.211 -10.922 1.00 0.00 H new ATOM 0 HG23 ILE A 486 -1.728 8.776 -12.482 1.00 0.00 H new ATOM 0 HD11 ILE A 486 -3.426 6.171 -15.482 1.00 0.00 H new ATOM 0 HD12 ILE A 486 -3.998 5.525 -13.925 1.00 0.00 H new ATOM 0 HD13 ILE A 486 -3.957 7.283 -14.198 1.00 0.00 H new ATOM 980 N ALA A 487 -0.717 5.978 -9.389 1.00 0.00 N ATOM 981 CA ALA A 487 -0.555 6.292 -7.966 1.00 0.00 C ATOM 982 C ALA A 487 0.924 6.354 -7.524 1.00 0.00 C ATOM 983 O ALA A 487 1.311 7.245 -6.764 1.00 0.00 O ATOM 984 CB ALA A 487 -1.327 5.244 -7.165 1.00 0.00 C ATOM 0 H ALA A 487 -1.171 5.082 -9.564 1.00 0.00 H new ATOM 0 HA ALA A 487 -0.952 7.290 -7.780 1.00 0.00 H new ATOM 0 HB1 ALA A 487 -1.225 5.452 -6.100 1.00 0.00 H new ATOM 0 HB2 ALA A 487 -2.381 5.278 -7.442 1.00 0.00 H new ATOM 0 HB3 ALA A 487 -0.927 4.253 -7.381 1.00 0.00 H new ATOM 990 N VAL A 488 1.778 5.452 -8.028 1.00 0.00 N ATOM 991 CA VAL A 488 3.235 5.487 -7.782 1.00 0.00 C ATOM 992 C VAL A 488 3.883 6.729 -8.414 1.00 0.00 C ATOM 993 O VAL A 488 4.716 7.375 -7.772 1.00 0.00 O ATOM 994 CB VAL A 488 3.903 4.183 -8.272 1.00 0.00 C ATOM 995 CG1 VAL A 488 5.433 4.212 -8.166 1.00 0.00 C ATOM 996 CG2 VAL A 488 3.425 2.993 -7.431 1.00 0.00 C ATOM 0 H VAL A 488 1.482 4.675 -8.619 1.00 0.00 H new ATOM 0 HA VAL A 488 3.393 5.559 -6.706 1.00 0.00 H new ATOM 0 HB VAL A 488 3.619 4.085 -9.320 1.00 0.00 H new ATOM 0 HG11 VAL A 488 5.841 3.267 -8.526 1.00 0.00 H new ATOM 0 HG12 VAL A 488 5.824 5.030 -8.771 1.00 0.00 H new ATOM 0 HG13 VAL A 488 5.723 4.360 -7.126 1.00 0.00 H new ATOM 0 HG21 VAL A 488 3.903 2.080 -7.787 1.00 0.00 H new ATOM 0 HG22 VAL A 488 3.688 3.157 -6.386 1.00 0.00 H new ATOM 0 HG23 VAL A 488 2.343 2.895 -7.522 1.00 0.00 H new ATOM 1006 N ASN A 489 3.473 7.106 -9.632 1.00 0.00 N ATOM 1007 CA ASN A 489 3.917 8.327 -10.314 1.00 0.00 C ATOM 1008 C ASN A 489 3.529 9.605 -9.548 1.00 0.00 C ATOM 1009 O ASN A 489 4.362 10.484 -9.332 1.00 0.00 O ATOM 1010 CB ASN A 489 3.311 8.341 -11.731 1.00 0.00 C ATOM 1011 CG ASN A 489 3.650 9.610 -12.496 1.00 0.00 C ATOM 1012 OD1 ASN A 489 2.896 10.573 -12.515 1.00 0.00 O ATOM 1013 ND2 ASN A 489 4.793 9.663 -13.140 1.00 0.00 N ATOM 0 H ASN A 489 2.810 6.559 -10.181 1.00 0.00 H new ATOM 0 HA ASN A 489 5.006 8.319 -10.363 1.00 0.00 H new ATOM 0 HB2 ASN A 489 3.675 7.477 -12.287 1.00 0.00 H new ATOM 0 HB3 ASN A 489 2.228 8.241 -11.661 1.00 0.00 H new ATOM 0 HD21 ASN A 489 5.050 10.506 -13.654 1.00 0.00 H new ATOM 0 HD22 ASN A 489 5.424 8.862 -13.126 1.00 0.00 H new ATOM 1020 N THR A 490 2.271 9.706 -9.122 1.00 0.00 N ATOM 1021 CA THR A 490 1.720 10.898 -8.454 1.00 0.00 C ATOM 1022 C THR A 490 2.222 11.069 -7.016 1.00 0.00 C ATOM 1023 O THR A 490 2.401 12.200 -6.557 1.00 0.00 O ATOM 1024 CB THR A 490 0.183 10.903 -8.507 1.00 0.00 C ATOM 1025 OG1 THR A 490 -0.371 9.686 -8.072 1.00 0.00 O ATOM 1026 CG2 THR A 490 -0.300 11.152 -9.940 1.00 0.00 C ATOM 0 H THR A 490 1.590 8.954 -9.230 1.00 0.00 H new ATOM 0 HA THR A 490 2.089 11.758 -9.012 1.00 0.00 H new ATOM 0 HB THR A 490 -0.145 11.700 -7.840 1.00 0.00 H new ATOM 0 HG1 THR A 490 -0.304 9.021 -8.789 1.00 0.00 H new ATOM 0 HG21 THR A 490 -1.390 11.153 -9.962 1.00 0.00 H new ATOM 0 HG22 THR A 490 0.070 12.117 -10.286 1.00 0.00 H new ATOM 0 HG23 THR A 490 0.075 10.364 -10.593 1.00 0.00 H new ATOM 1034 N SER A 491 2.574 9.977 -6.329 1.00 0.00 N ATOM 1035 CA SER A 491 3.247 10.005 -5.019 1.00 0.00 C ATOM 1036 C SER A 491 4.660 10.617 -5.046 1.00 0.00 C ATOM 1037 O SER A 491 5.177 10.999 -3.994 1.00 0.00 O ATOM 1038 CB SER A 491 3.295 8.593 -4.443 1.00 0.00 C ATOM 1039 OG SER A 491 3.710 8.594 -3.087 1.00 0.00 O ATOM 0 H SER A 491 2.398 9.032 -6.670 1.00 0.00 H new ATOM 0 HA SER A 491 2.655 10.663 -4.382 1.00 0.00 H new ATOM 0 HB2 SER A 491 2.309 8.134 -4.522 1.00 0.00 H new ATOM 0 HB3 SER A 491 3.979 7.982 -5.033 1.00 0.00 H new ATOM 0 HG SER A 491 4.347 9.324 -2.941 1.00 0.00 H new ATOM 1045 N LYS A 492 5.283 10.786 -6.224 1.00 0.00 N ATOM 1046 CA LYS A 492 6.537 11.546 -6.411 1.00 0.00 C ATOM 1047 C LYS A 492 6.420 13.032 -6.009 1.00 0.00 C ATOM 1048 O LYS A 492 7.436 13.700 -5.809 1.00 0.00 O ATOM 1049 CB LYS A 492 6.980 11.370 -7.875 1.00 0.00 C ATOM 1050 CG LYS A 492 8.447 11.749 -8.135 1.00 0.00 C ATOM 1051 CD LYS A 492 8.910 11.348 -9.547 1.00 0.00 C ATOM 1052 CE LYS A 492 8.132 12.027 -10.685 1.00 0.00 C ATOM 1053 NZ LYS A 492 8.416 13.483 -10.767 1.00 0.00 N ATOM 0 H LYS A 492 4.924 10.391 -7.093 1.00 0.00 H new ATOM 0 HA LYS A 492 7.296 11.147 -5.738 1.00 0.00 H new ATOM 0 HB2 LYS A 492 6.827 10.331 -8.168 1.00 0.00 H new ATOM 0 HB3 LYS A 492 6.340 11.979 -8.513 1.00 0.00 H new ATOM 0 HG2 LYS A 492 8.571 12.824 -8.006 1.00 0.00 H new ATOM 0 HG3 LYS A 492 9.083 11.263 -7.395 1.00 0.00 H new ATOM 0 HD2 LYS A 492 9.968 11.589 -9.652 1.00 0.00 H new ATOM 0 HD3 LYS A 492 8.817 10.267 -9.654 1.00 0.00 H new ATOM 0 HE2 LYS A 492 8.390 11.554 -11.632 1.00 0.00 H new ATOM 0 HE3 LYS A 492 7.063 11.875 -10.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 7.528 14.002 -10.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 8.851 13.802 -9.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 9.068 13.666 -11.556 1.00 0.00 H new ATOM 1067 N TYR A 493 5.192 13.529 -5.835 1.00 0.00 N ATOM 1068 CA TYR A 493 4.853 14.905 -5.444 1.00 0.00 C ATOM 1069 C TYR A 493 4.185 14.987 -4.051 1.00 0.00 C ATOM 1070 O TYR A 493 3.702 16.052 -3.654 1.00 0.00 O ATOM 1071 CB TYR A 493 3.965 15.516 -6.543 1.00 0.00 C ATOM 1072 CG TYR A 493 4.577 15.499 -7.936 1.00 0.00 C ATOM 1073 CD1 TYR A 493 5.382 16.572 -8.365 1.00 0.00 C ATOM 1074 CD2 TYR A 493 4.347 14.407 -8.798 1.00 0.00 C ATOM 1075 CE1 TYR A 493 5.952 16.559 -9.653 1.00 0.00 C ATOM 1076 CE2 TYR A 493 4.924 14.384 -10.083 1.00 0.00 C ATOM 1077 CZ TYR A 493 5.723 15.465 -10.516 1.00 0.00 C ATOM 1078 OH TYR A 493 6.292 15.430 -11.753 1.00 0.00 O ATOM 0 H TYR A 493 4.361 12.953 -5.970 1.00 0.00 H new ATOM 0 HA TYR A 493 5.774 15.480 -5.350 1.00 0.00 H new ATOM 0 HB2 TYR A 493 3.019 14.975 -6.570 1.00 0.00 H new ATOM 0 HB3 TYR A 493 3.735 16.547 -6.274 1.00 0.00 H new ATOM 0 HD1 TYR A 493 5.563 17.407 -7.705 1.00 0.00 H new ATOM 0 HD2 TYR A 493 3.726 13.585 -8.472 1.00 0.00 H new ATOM 0 HE1 TYR A 493 6.564 17.386 -9.981 1.00 0.00 H new ATOM 0 HE2 TYR A 493 4.756 13.541 -10.736 1.00 0.00 H new ATOM 0 HH TYR A 493 6.029 14.605 -12.211 1.00 0.00 H new ATOM 1088 N ALA A 494 4.142 13.878 -3.299 1.00 0.00 N ATOM 1089 CA ALA A 494 3.606 13.810 -1.937 1.00 0.00 C ATOM 1090 C ALA A 494 4.430 14.630 -0.919 1.00 0.00 C ATOM 1091 O ALA A 494 5.609 14.928 -1.133 1.00 0.00 O ATOM 1092 CB ALA A 494 3.554 12.335 -1.519 1.00 0.00 C ATOM 0 H ALA A 494 4.490 12.979 -3.633 1.00 0.00 H new ATOM 0 HA ALA A 494 2.610 14.253 -1.939 1.00 0.00 H new ATOM 0 HB1 ALA A 494 3.158 12.257 -0.507 1.00 0.00 H new ATOM 0 HB2 ALA A 494 2.909 11.785 -2.204 1.00 0.00 H new ATOM 0 HB3 ALA A 494 4.558 11.913 -1.549 1.00 0.00 H new ATOM 1098 N GLU A 495 3.816 14.945 0.227 1.00 0.00 N ATOM 1099 CA GLU A 495 4.445 15.705 1.330 1.00 0.00 C ATOM 1100 C GLU A 495 4.093 15.213 2.753 1.00 0.00 C ATOM 1101 O GLU A 495 4.714 15.659 3.723 1.00 0.00 O ATOM 1102 CB GLU A 495 4.140 17.207 1.161 1.00 0.00 C ATOM 1103 CG GLU A 495 2.652 17.568 1.298 1.00 0.00 C ATOM 1104 CD GLU A 495 2.438 19.082 1.108 1.00 0.00 C ATOM 1105 OE1 GLU A 495 2.582 19.853 2.090 1.00 0.00 O ATOM 1106 OE2 GLU A 495 2.116 19.520 -0.025 1.00 0.00 O ATOM 0 H GLU A 495 2.852 14.678 0.424 1.00 0.00 H new ATOM 0 HA GLU A 495 5.517 15.526 1.248 1.00 0.00 H new ATOM 0 HB2 GLU A 495 4.708 17.767 1.904 1.00 0.00 H new ATOM 0 HB3 GLU A 495 4.492 17.530 0.181 1.00 0.00 H new ATOM 0 HG2 GLU A 495 2.070 17.018 0.559 1.00 0.00 H new ATOM 0 HG3 GLU A 495 2.288 17.265 2.280 1.00 0.00 H new ATOM 1113 N SER A 496 3.149 14.272 2.892 1.00 0.00 N ATOM 1114 CA SER A 496 2.681 13.718 4.184 1.00 0.00 C ATOM 1115 C SER A 496 2.410 12.200 4.144 1.00 0.00 C ATOM 1116 O SER A 496 1.845 11.642 5.085 1.00 0.00 O ATOM 1117 CB SER A 496 1.406 14.449 4.648 1.00 0.00 C ATOM 1118 OG SER A 496 1.592 15.854 4.746 1.00 0.00 O ATOM 0 H SER A 496 2.672 13.859 2.090 1.00 0.00 H new ATOM 0 HA SER A 496 3.495 13.879 4.891 1.00 0.00 H new ATOM 0 HB2 SER A 496 0.596 14.240 3.949 1.00 0.00 H new ATOM 0 HB3 SER A 496 1.099 14.058 5.618 1.00 0.00 H new ATOM 0 HG SER A 496 0.758 16.275 5.042 1.00 0.00 H new ATOM 1124 N TYR A 497 2.783 11.527 3.051 1.00 0.00 N ATOM 1125 CA TYR A 497 2.549 10.100 2.787 1.00 0.00 C ATOM 1126 C TYR A 497 3.519 9.575 1.707 1.00 0.00 C ATOM 1127 O TYR A 497 4.251 10.354 1.086 1.00 0.00 O ATOM 1128 CB TYR A 497 1.086 9.895 2.341 1.00 0.00 C ATOM 1129 CG TYR A 497 0.719 10.589 1.038 1.00 0.00 C ATOM 1130 CD1 TYR A 497 0.268 11.925 1.049 1.00 0.00 C ATOM 1131 CD2 TYR A 497 0.860 9.909 -0.188 1.00 0.00 C ATOM 1132 CE1 TYR A 497 -0.017 12.586 -0.162 1.00 0.00 C ATOM 1133 CE2 TYR A 497 0.575 10.565 -1.402 1.00 0.00 C ATOM 1134 CZ TYR A 497 0.141 11.910 -1.391 1.00 0.00 C ATOM 1135 OH TYR A 497 -0.117 12.564 -2.556 1.00 0.00 O ATOM 0 H TYR A 497 3.281 11.984 2.287 1.00 0.00 H new ATOM 0 HA TYR A 497 2.731 9.537 3.702 1.00 0.00 H new ATOM 0 HB2 TYR A 497 0.899 8.827 2.234 1.00 0.00 H new ATOM 0 HB3 TYR A 497 0.425 10.257 3.129 1.00 0.00 H new ATOM 0 HD1 TYR A 497 0.141 12.443 1.988 1.00 0.00 H new ATOM 0 HD2 TYR A 497 1.188 8.880 -0.197 1.00 0.00 H new ATOM 0 HE1 TYR A 497 -0.357 13.611 -0.150 1.00 0.00 H new ATOM 0 HE2 TYR A 497 0.688 10.041 -2.339 1.00 0.00 H new ATOM 0 HH TYR A 497 0.041 11.960 -3.312 1.00 0.00 H new ATOM 1145 N ARG A 498 3.507 8.259 1.452 1.00 0.00 N ATOM 1146 CA ARG A 498 4.192 7.609 0.316 1.00 0.00 C ATOM 1147 C ARG A 498 3.411 6.380 -0.160 1.00 0.00 C ATOM 1148 O ARG A 498 2.867 5.644 0.663 1.00 0.00 O ATOM 1149 CB ARG A 498 5.631 7.241 0.741 1.00 0.00 C ATOM 1150 CG ARG A 498 6.504 6.595 -0.353 1.00 0.00 C ATOM 1151 CD ARG A 498 6.790 7.510 -1.560 1.00 0.00 C ATOM 1152 NE ARG A 498 6.446 6.854 -2.837 1.00 0.00 N ATOM 1153 CZ ARG A 498 6.675 7.291 -4.061 1.00 0.00 C ATOM 1154 NH1 ARG A 498 7.317 8.394 -4.310 1.00 0.00 N ATOM 1155 NH2 ARG A 498 6.232 6.601 -5.069 1.00 0.00 N ATOM 0 H ARG A 498 3.008 7.595 2.044 1.00 0.00 H new ATOM 0 HA ARG A 498 4.240 8.299 -0.527 1.00 0.00 H new ATOM 0 HB2 ARG A 498 6.129 8.145 1.092 1.00 0.00 H new ATOM 0 HB3 ARG A 498 5.577 6.557 1.588 1.00 0.00 H new ATOM 0 HG2 ARG A 498 7.452 6.289 0.089 1.00 0.00 H new ATOM 0 HG3 ARG A 498 6.011 5.690 -0.707 1.00 0.00 H new ATOM 0 HD2 ARG A 498 6.219 8.433 -1.460 1.00 0.00 H new ATOM 0 HD3 ARG A 498 7.844 7.786 -1.565 1.00 0.00 H new ATOM 0 HE ARG A 498 5.974 5.953 -2.764 1.00 0.00 H new ATOM 0 HH11 ARG A 498 7.669 8.964 -3.541 1.00 0.00 H new ATOM 0 HH12 ARG A 498 7.469 8.689 -5.274 1.00 0.00 H new ATOM 0 HH21 ARG A 498 5.716 5.736 -4.908 1.00 0.00 H new ATOM 0 HH22 ARG A 498 6.400 6.924 -6.022 1.00 0.00 H new ATOM 1169 N ILE A 499 3.399 6.143 -1.475 1.00 0.00 N ATOM 1170 CA ILE A 499 2.731 5.016 -2.151 1.00 0.00 C ATOM 1171 C ILE A 499 3.778 4.190 -2.919 1.00 0.00 C ATOM 1172 O ILE A 499 4.643 4.751 -3.597 1.00 0.00 O ATOM 1173 CB ILE A 499 1.639 5.540 -3.117 1.00 0.00 C ATOM 1174 CG1 ILE A 499 0.585 6.417 -2.399 1.00 0.00 C ATOM 1175 CG2 ILE A 499 0.957 4.366 -3.841 1.00 0.00 C ATOM 1176 CD1 ILE A 499 -0.369 7.169 -3.338 1.00 0.00 C ATOM 0 H ILE A 499 3.877 6.759 -2.133 1.00 0.00 H new ATOM 0 HA ILE A 499 2.250 4.381 -1.406 1.00 0.00 H new ATOM 0 HB ILE A 499 2.137 6.175 -3.850 1.00 0.00 H new ATOM 0 HG12 ILE A 499 -0.004 5.784 -1.735 1.00 0.00 H new ATOM 0 HG13 ILE A 499 1.102 7.142 -1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 499 0.192 4.750 -4.516 1.00 0.00 H new ATOM 0 HG22 ILE A 499 1.700 3.810 -4.413 1.00 0.00 H new ATOM 0 HG23 ILE A 499 0.495 3.705 -3.108 1.00 0.00 H new ATOM 0 HD11 ILE A 499 -1.072 7.757 -2.748 1.00 0.00 H new ATOM 0 HD12 ILE A 499 0.205 7.832 -3.985 1.00 0.00 H new ATOM 0 HD13 ILE A 499 -0.918 6.452 -3.949 1.00 0.00 H new ATOM 1188 N GLN A 500 3.693 2.861 -2.849 1.00 0.00 N ATOM 1189 CA GLN A 500 4.535 1.918 -3.603 1.00 0.00 C ATOM 1190 C GLN A 500 3.759 0.636 -3.958 1.00 0.00 C ATOM 1191 O GLN A 500 2.660 0.415 -3.453 1.00 0.00 O ATOM 1192 CB GLN A 500 5.817 1.620 -2.806 1.00 0.00 C ATOM 1193 CG GLN A 500 5.586 0.861 -1.486 1.00 0.00 C ATOM 1194 CD GLN A 500 6.875 0.635 -0.694 1.00 0.00 C ATOM 1195 OE1 GLN A 500 7.990 0.857 -1.147 1.00 0.00 O ATOM 1196 NE2 GLN A 500 6.778 0.191 0.537 1.00 0.00 N ATOM 0 H GLN A 500 3.016 2.391 -2.248 1.00 0.00 H new ATOM 0 HA GLN A 500 4.822 2.375 -4.550 1.00 0.00 H new ATOM 0 HB2 GLN A 500 6.492 1.037 -3.432 1.00 0.00 H new ATOM 0 HB3 GLN A 500 6.320 2.562 -2.586 1.00 0.00 H new ATOM 0 HG2 GLN A 500 4.881 1.420 -0.870 1.00 0.00 H new ATOM 0 HG3 GLN A 500 5.126 -0.103 -1.703 1.00 0.00 H new ATOM 0 HE21 GLN A 500 5.861 -0.002 0.939 1.00 0.00 H new ATOM 0 HE22 GLN A 500 7.620 0.039 1.092 1.00 0.00 H new ATOM 1205 N THR A 501 4.301 -0.222 -4.825 1.00 0.00 N ATOM 1206 CA THR A 501 3.665 -1.510 -5.171 1.00 0.00 C ATOM 1207 C THR A 501 3.738 -2.531 -4.028 1.00 0.00 C ATOM 1208 O THR A 501 4.569 -2.426 -3.120 1.00 0.00 O ATOM 1209 CB THR A 501 4.268 -2.130 -6.443 1.00 0.00 C ATOM 1210 OG1 THR A 501 5.603 -2.513 -6.212 1.00 0.00 O ATOM 1211 CG2 THR A 501 4.242 -1.171 -7.634 1.00 0.00 C ATOM 0 H THR A 501 5.184 -0.053 -5.307 1.00 0.00 H new ATOM 0 HA THR A 501 2.617 -1.273 -5.354 1.00 0.00 H new ATOM 0 HB THR A 501 3.652 -2.996 -6.685 1.00 0.00 H new ATOM 0 HG1 THR A 501 5.976 -2.908 -7.028 1.00 0.00 H new ATOM 0 HG21 THR A 501 4.679 -1.660 -8.504 1.00 0.00 H new ATOM 0 HG22 THR A 501 3.212 -0.892 -7.854 1.00 0.00 H new ATOM 0 HG23 THR A 501 4.816 -0.276 -7.393 1.00 0.00 H new ATOM 1219 N TYR A 502 2.902 -3.572 -4.097 1.00 0.00 N ATOM 1220 CA TYR A 502 2.987 -4.743 -3.214 1.00 0.00 C ATOM 1221 C TYR A 502 4.375 -5.422 -3.271 1.00 0.00 C ATOM 1222 O TYR A 502 4.909 -5.845 -2.244 1.00 0.00 O ATOM 1223 CB TYR A 502 1.863 -5.711 -3.611 1.00 0.00 C ATOM 1224 CG TYR A 502 1.677 -6.899 -2.685 1.00 0.00 C ATOM 1225 CD1 TYR A 502 0.793 -6.804 -1.594 1.00 0.00 C ATOM 1226 CD2 TYR A 502 2.355 -8.109 -2.938 1.00 0.00 C ATOM 1227 CE1 TYR A 502 0.567 -7.921 -0.768 1.00 0.00 C ATOM 1228 CE2 TYR A 502 2.139 -9.226 -2.108 1.00 0.00 C ATOM 1229 CZ TYR A 502 1.234 -9.138 -1.027 1.00 0.00 C ATOM 1230 OH TYR A 502 0.970 -10.229 -0.256 1.00 0.00 O ATOM 0 H TYR A 502 2.140 -3.627 -4.773 1.00 0.00 H new ATOM 0 HA TYR A 502 2.862 -4.428 -2.178 1.00 0.00 H new ATOM 0 HB2 TYR A 502 0.926 -5.156 -3.656 1.00 0.00 H new ATOM 0 HB3 TYR A 502 2.063 -6.082 -4.616 1.00 0.00 H new ATOM 0 HD1 TYR A 502 0.287 -5.872 -1.390 1.00 0.00 H new ATOM 0 HD2 TYR A 502 3.041 -8.179 -3.769 1.00 0.00 H new ATOM 0 HE1 TYR A 502 -0.117 -7.847 0.064 1.00 0.00 H new ATOM 0 HE2 TYR A 502 2.665 -10.150 -2.298 1.00 0.00 H new ATOM 0 HH TYR A 502 1.510 -10.986 -0.565 1.00 0.00 H new ATOM 1240 N ALA A 503 4.999 -5.471 -4.455 1.00 0.00 N ATOM 1241 CA ALA A 503 6.349 -6.010 -4.650 1.00 0.00 C ATOM 1242 C ALA A 503 7.448 -5.147 -3.993 1.00 0.00 C ATOM 1243 O ALA A 503 8.372 -5.685 -3.381 1.00 0.00 O ATOM 1244 CB ALA A 503 6.593 -6.166 -6.156 1.00 0.00 C ATOM 0 H ALA A 503 4.572 -5.132 -5.317 1.00 0.00 H new ATOM 0 HA ALA A 503 6.407 -6.978 -4.153 1.00 0.00 H new ATOM 0 HB1 ALA A 503 7.593 -6.566 -6.323 1.00 0.00 H new ATOM 0 HB2 ALA A 503 5.854 -6.849 -6.575 1.00 0.00 H new ATOM 0 HB3 ALA A 503 6.505 -5.194 -6.641 1.00 0.00 H new ATOM 1250 N GLU A 504 7.349 -3.815 -4.061 1.00 0.00 N ATOM 1251 CA GLU A 504 8.280 -2.903 -3.376 1.00 0.00 C ATOM 1252 C GLU A 504 8.144 -2.964 -1.842 1.00 0.00 C ATOM 1253 O GLU A 504 9.145 -2.861 -1.131 1.00 0.00 O ATOM 1254 CB GLU A 504 8.069 -1.465 -3.875 1.00 0.00 C ATOM 1255 CG GLU A 504 8.592 -1.220 -5.299 1.00 0.00 C ATOM 1256 CD GLU A 504 10.133 -1.205 -5.354 1.00 0.00 C ATOM 1257 OE1 GLU A 504 10.744 -0.132 -5.123 1.00 0.00 O ATOM 1258 OE2 GLU A 504 10.749 -2.261 -5.640 1.00 0.00 O ATOM 0 H GLU A 504 6.622 -3.336 -4.592 1.00 0.00 H new ATOM 0 HA GLU A 504 9.291 -3.229 -3.618 1.00 0.00 H new ATOM 0 HB2 GLU A 504 7.005 -1.232 -3.844 1.00 0.00 H new ATOM 0 HB3 GLU A 504 8.566 -0.777 -3.192 1.00 0.00 H new ATOM 0 HG2 GLU A 504 8.213 -1.997 -5.963 1.00 0.00 H new ATOM 0 HG3 GLU A 504 8.207 -0.269 -5.668 1.00 0.00 H new ATOM 1265 N TYR A 505 6.933 -3.206 -1.324 1.00 0.00 N ATOM 1266 CA TYR A 505 6.688 -3.493 0.094 1.00 0.00 C ATOM 1267 C TYR A 505 7.363 -4.805 0.537 1.00 0.00 C ATOM 1268 O TYR A 505 8.129 -4.810 1.503 1.00 0.00 O ATOM 1269 CB TYR A 505 5.172 -3.507 0.335 1.00 0.00 C ATOM 1270 CG TYR A 505 4.722 -4.221 1.594 1.00 0.00 C ATOM 1271 CD1 TYR A 505 4.765 -3.565 2.839 1.00 0.00 C ATOM 1272 CD2 TYR A 505 4.264 -5.552 1.515 1.00 0.00 C ATOM 1273 CE1 TYR A 505 4.333 -4.232 4.002 1.00 0.00 C ATOM 1274 CE2 TYR A 505 3.836 -6.222 2.675 1.00 0.00 C ATOM 1275 CZ TYR A 505 3.852 -5.556 3.920 1.00 0.00 C ATOM 1276 OH TYR A 505 3.424 -6.195 5.044 1.00 0.00 O ATOM 0 H TYR A 505 6.083 -3.208 -1.888 1.00 0.00 H new ATOM 0 HA TYR A 505 7.137 -2.712 0.707 1.00 0.00 H new ATOM 0 HB2 TYR A 505 4.818 -2.477 0.375 1.00 0.00 H new ATOM 0 HB3 TYR A 505 4.689 -3.977 -0.522 1.00 0.00 H new ATOM 0 HD1 TYR A 505 5.129 -2.550 2.902 1.00 0.00 H new ATOM 0 HD2 TYR A 505 4.242 -6.058 0.561 1.00 0.00 H new ATOM 0 HE1 TYR A 505 4.370 -3.730 4.957 1.00 0.00 H new ATOM 0 HE2 TYR A 505 3.495 -7.245 2.614 1.00 0.00 H new ATOM 0 HH TYR A 505 3.124 -7.099 4.812 1.00 0.00 H new