USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 535 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 439 HIS : no HD1:sc= -0.168 X(o=-0.17,f=-0.11) USER MOD Set 1.2: A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 442 HIS :FLIP no HE2:sc= -11.4! C(o=-12!,f=-11!) USER MOD Single : A 444 THR OG1 : rot 160:sc= -0.301 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 180:sc= -0.19 USER MOD Single : A 452 SER OG : rot 180:sc= 0 USER MOD Single : A 455 TYR OH : rot 5:sc= 0.104 USER MOD Single : A 456 GLN : amide:sc= -0.136 K(o=-0.14,f=-2.1!) USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 463 ASN : amide:sc= -0.0985 X(o=-0.098,f=-0.098) USER MOD Single : A 465 GLN : amide:sc=-0.00133 X(o=-0.0013,f=-0.41) 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 473 SER OG : rot 148:sc= 0.217 USER MOD Single : A 479 SER OG : rot 180:sc= 0 USER MOD Single : A 480 GLN : amide:sc= -0.691 X(o=-0.69,f=-0.6) USER MOD Single : A 483 GLN : amide:sc= -2.18 K(o=-2.2,f=-4.2!) USER MOD Single : A 485 GLN : amide:sc= -0.822 X(o=-0.82,f=-0.47) USER MOD Single : A 489 ASN : amide:sc= -0.906 K(o=-0.91,f=-2.1!) USER MOD Single : A 490 THR OG1 : rot -82:sc= 0.303 USER MOD Single : A 491 SER OG : rot -49:sc= -0.0611 USER MOD Single : A 492 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00426) USER MOD Single : A 493 TYR OH : rot 180:sc= 0 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 500 GLN : amide:sc= -0.121 K(o=-0.12,f=-1.1) USER MOD Single : A 501 THR OG1 : rot 180:sc= -0.0623 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 207 N HIS A 439 -5.892 8.839 6.200 1.00 0.00 N ATOM 208 CA HIS A 439 -4.968 8.065 5.378 1.00 0.00 C ATOM 209 C HIS A 439 -4.497 6.817 6.119 1.00 0.00 C ATOM 210 O HIS A 439 -4.093 5.831 5.501 1.00 0.00 O ATOM 211 CB HIS A 439 -3.765 8.921 4.981 1.00 0.00 C ATOM 212 CG HIS A 439 -3.356 9.904 6.034 1.00 0.00 C ATOM 213 ND1 HIS A 439 -3.885 11.175 6.123 1.00 0.00 N ATOM 214 CD2 HIS A 439 -2.465 9.797 7.048 1.00 0.00 C ATOM 215 CE1 HIS A 439 -3.335 11.807 7.145 1.00 0.00 C ATOM 216 NE2 HIS A 439 -2.471 10.993 7.723 1.00 0.00 N ATOM 0 HA HIS A 439 -5.496 7.754 4.477 1.00 0.00 H new ATOM 0 HB2 HIS A 439 -2.922 8.267 4.759 1.00 0.00 H new ATOM 0 HB3 HIS A 439 -4.000 9.461 4.064 1.00 0.00 H new ATOM 0 HD2 HIS A 439 -1.862 8.932 7.282 1.00 0.00 H new ATOM 0 HE1 HIS A 439 -3.555 12.818 7.455 1.00 0.00 H new ATOM 0 HE2 HIS A 439 -1.901 11.216 8.539 1.00 0.00 H new ATOM 225 N VAL A 440 -4.551 6.866 7.446 1.00 0.00 N ATOM 226 CA VAL A 440 -4.130 5.740 8.271 1.00 0.00 C ATOM 227 C VAL A 440 -5.209 4.665 8.324 1.00 0.00 C ATOM 228 O VAL A 440 -6.398 4.968 8.438 1.00 0.00 O ATOM 229 CB VAL A 440 -3.796 6.189 9.705 1.00 0.00 C ATOM 230 CG1 VAL A 440 -3.321 5.008 10.538 1.00 0.00 C ATOM 231 CG2 VAL A 440 -2.750 7.293 9.688 1.00 0.00 C ATOM 0 H VAL A 440 -4.882 7.674 7.973 1.00 0.00 H new ATOM 0 HA VAL A 440 -3.233 5.327 7.810 1.00 0.00 H new ATOM 0 HB VAL A 440 -4.703 6.585 10.163 1.00 0.00 H new ATOM 0 HG11 VAL A 440 -3.090 5.345 11.548 1.00 0.00 H new ATOM 0 HG12 VAL A 440 -4.105 4.252 10.578 1.00 0.00 H new ATOM 0 HG13 VAL A 440 -2.427 4.579 10.085 1.00 0.00 H new ATOM 0 HG21 VAL A 440 -2.526 7.598 10.710 1.00 0.00 H new ATOM 0 HG22 VAL A 440 -1.841 6.926 9.212 1.00 0.00 H new ATOM 0 HG23 VAL A 440 -3.132 8.148 9.130 1.00 0.00 H new ATOM 241 N LEU A 441 -4.788 3.407 8.243 1.00 0.00 N ATOM 242 CA LEU A 441 -5.719 2.285 8.283 1.00 0.00 C ATOM 243 C LEU A 441 -5.263 1.235 9.291 1.00 0.00 C ATOM 244 O LEU A 441 -4.085 0.881 9.344 1.00 0.00 O ATOM 245 CB LEU A 441 -5.848 1.654 6.895 1.00 0.00 C ATOM 246 CG LEU A 441 -6.106 2.622 5.739 1.00 0.00 C ATOM 247 CD1 LEU A 441 -5.755 1.971 4.410 1.00 0.00 C ATOM 248 CD2 LEU A 441 -7.556 3.082 5.743 1.00 0.00 C ATOM 0 H LEU A 441 -3.808 3.139 8.149 1.00 0.00 H new ATOM 0 HA LEU A 441 -6.692 2.663 8.595 1.00 0.00 H new ATOM 0 HB2 LEU A 441 -4.933 1.101 6.683 1.00 0.00 H new ATOM 0 HB3 LEU A 441 -6.660 0.927 6.922 1.00 0.00 H new ATOM 0 HG LEU A 441 -5.468 3.496 5.872 1.00 0.00 H new ATOM 0 HD11 LEU A 441 -5.945 2.674 3.599 1.00 0.00 H new ATOM 0 HD12 LEU A 441 -4.701 1.692 4.409 1.00 0.00 H new ATOM 0 HD13 LEU A 441 -6.367 1.080 4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 441 -7.722 3.770 4.914 1.00 0.00 H new ATOM 0 HD22 LEU A 441 -8.212 2.218 5.634 1.00 0.00 H new ATOM 0 HD23 LEU A 441 -7.775 3.588 6.683 1.00 0.00 H new ATOM 260 N HIS A 442 -6.204 0.739 10.088 1.00 0.00 N ATOM 261 CA HIS A 442 -5.900 -0.273 11.093 1.00 0.00 C ATOM 262 C HIS A 442 -6.158 -1.675 10.548 1.00 0.00 C ATOM 263 O HIS A 442 -7.306 -2.081 10.369 1.00 0.00 O ATOM 264 CB HIS A 442 -6.736 -0.041 12.352 1.00 0.00 C ATOM 265 CG HIS A 442 -6.275 -0.837 13.533 1.00 0.00 C ATOM 266 ND1 HIS A 442 -5.527 -0.481 14.603 1.00 0.00 N flip ATOM 267 CD2 HIS A 442 -6.578 -2.171 13.706 1.00 0.00 C flip ATOM 268 CE1 HIS A 442 -5.394 -1.594 15.396 1.00 0.00 C flip ATOM 269 NE2 HIS A 442 -6.037 -2.601 14.832 1.00 0.00 N flip ATOM 0 H HIS A 442 -7.184 1.022 10.057 1.00 0.00 H new ATOM 0 HA HIS A 442 -4.843 -0.190 11.348 1.00 0.00 H new ATOM 0 HB2 HIS A 442 -6.709 1.019 12.606 1.00 0.00 H new ATOM 0 HB3 HIS A 442 -7.775 -0.291 12.139 1.00 0.00 H new ATOM 0 HD1 HIS A 442 -5.135 0.443 14.786 1.00 0.00 H new ATOM 0 HD2 HIS A 442 -7.166 -2.771 13.027 1.00 0.00 H new ATOM 0 HE1 HIS A 442 -4.852 -1.639 16.329 1.00 0.00 H new ATOM 278 N VAL A 443 -5.082 -2.410 10.285 1.00 0.00 N ATOM 279 CA VAL A 443 -5.192 -3.766 9.761 1.00 0.00 C ATOM 280 C VAL A 443 -4.743 -4.793 10.795 1.00 0.00 C ATOM 281 O VAL A 443 -3.627 -4.725 11.310 1.00 0.00 O ATOM 282 CB VAL A 443 -4.354 -3.942 8.481 1.00 0.00 C ATOM 283 CG1 VAL A 443 -4.719 -5.240 7.777 1.00 0.00 C ATOM 284 CG2 VAL A 443 -4.542 -2.752 7.552 1.00 0.00 C ATOM 0 H VAL A 443 -4.124 -2.089 10.426 1.00 0.00 H new ATOM 0 HA VAL A 443 -6.243 -3.930 9.524 1.00 0.00 H new ATOM 0 HB VAL A 443 -3.302 -3.992 8.762 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -4.116 -5.347 6.875 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -4.527 -6.081 8.443 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -5.775 -5.223 7.508 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -3.942 -2.894 6.653 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -5.593 -2.667 7.277 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -4.225 -1.841 8.059 1.00 0.00 H new ATOM 294 N THR A 444 -5.621 -5.745 11.094 1.00 0.00 N ATOM 295 CA THR A 444 -5.316 -6.787 12.066 1.00 0.00 C ATOM 296 C THR A 444 -5.064 -8.124 11.379 1.00 0.00 C ATOM 297 O THR A 444 -5.998 -8.790 10.932 1.00 0.00 O ATOM 298 CB THR A 444 -6.458 -6.954 13.087 1.00 0.00 C ATOM 299 OG1 THR A 444 -7.722 -6.767 12.442 1.00 0.00 O ATOM 300 CG2 THR A 444 -6.313 -5.960 14.229 1.00 0.00 C ATOM 0 H THR A 444 -6.549 -5.816 10.677 1.00 0.00 H new ATOM 0 HA THR A 444 -4.412 -6.476 12.590 1.00 0.00 H new ATOM 0 HB THR A 444 -6.405 -7.963 13.497 1.00 0.00 H new ATOM 0 HG1 THR A 444 -8.429 -7.176 12.983 1.00 0.00 H new ATOM 0 HG21 THR A 444 -7.131 -6.097 14.937 1.00 0.00 H new ATOM 0 HG22 THR A 444 -5.362 -6.125 14.736 1.00 0.00 H new ATOM 0 HG23 THR A 444 -6.342 -4.945 13.834 1.00 0.00 H new ATOM 308 N PHE A 445 -3.796 -8.513 11.299 1.00 0.00 N ATOM 309 CA PHE A 445 -3.421 -9.772 10.666 1.00 0.00 C ATOM 310 C PHE A 445 -2.752 -10.707 11.669 1.00 0.00 C ATOM 311 O PHE A 445 -2.170 -10.277 12.665 1.00 0.00 O ATOM 312 CB PHE A 445 -2.481 -9.514 9.486 1.00 0.00 C ATOM 313 CG PHE A 445 -1.301 -8.653 9.837 1.00 0.00 C ATOM 314 CD1 PHE A 445 -0.280 -9.146 10.634 1.00 0.00 C ATOM 315 CD2 PHE A 445 -1.212 -7.352 9.370 1.00 0.00 C ATOM 316 CE1 PHE A 445 0.806 -8.356 10.959 1.00 0.00 C ATOM 317 CE2 PHE A 445 -0.128 -6.557 9.691 1.00 0.00 C ATOM 318 CZ PHE A 445 0.883 -7.060 10.486 1.00 0.00 C ATOM 0 H PHE A 445 -3.011 -7.975 11.665 1.00 0.00 H new ATOM 0 HA PHE A 445 -4.329 -10.251 10.300 1.00 0.00 H new ATOM 0 HB2 PHE A 445 -2.122 -10.469 9.102 1.00 0.00 H new ATOM 0 HB3 PHE A 445 -3.042 -9.037 8.682 1.00 0.00 H new ATOM 0 HD1 PHE A 445 -0.334 -10.159 11.005 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -1.999 -6.954 8.747 1.00 0.00 H new ATOM 0 HE1 PHE A 445 1.594 -8.751 11.582 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -0.072 -5.544 9.321 1.00 0.00 H new ATOM 0 HZ PHE A 445 1.732 -6.442 10.737 1.00 0.00 H new ATOM 328 N PRO A 446 -2.836 -12.019 11.401 1.00 0.00 N ATOM 329 CA PRO A 446 -2.245 -13.043 12.267 1.00 0.00 C ATOM 330 C PRO A 446 -0.721 -13.032 12.222 1.00 0.00 C ATOM 331 O PRO A 446 -0.122 -12.683 11.204 1.00 0.00 O ATOM 332 CB PRO A 446 -2.787 -14.353 11.689 1.00 0.00 C ATOM 333 CG PRO A 446 -3.083 -14.043 10.262 1.00 0.00 C ATOM 334 CD PRO A 446 -3.514 -12.603 10.232 1.00 0.00 C ATOM 0 HA PRO A 446 -2.499 -12.886 13.315 1.00 0.00 H new ATOM 0 HB2 PRO A 446 -2.056 -15.157 11.776 1.00 0.00 H new ATOM 0 HB3 PRO A 446 -3.683 -14.678 12.218 1.00 0.00 H new ATOM 0 HG2 PRO A 446 -2.203 -14.200 9.638 1.00 0.00 H new ATOM 0 HG3 PRO A 446 -3.868 -14.693 9.876 1.00 0.00 H new ATOM 0 HD2 PRO A 446 -3.213 -12.113 9.306 1.00 0.00 H new ATOM 0 HD3 PRO A 446 -4.597 -12.506 10.306 1.00 0.00 H new ATOM 342 N LYS A 447 -0.098 -13.416 13.331 1.00 0.00 N ATOM 343 CA LYS A 447 1.358 -13.452 13.418 1.00 0.00 C ATOM 344 C LYS A 447 1.958 -14.145 12.199 1.00 0.00 C ATOM 345 O LYS A 447 2.949 -13.681 11.636 1.00 0.00 O ATOM 346 CB LYS A 447 1.795 -14.173 14.695 1.00 0.00 C ATOM 347 CG LYS A 447 1.428 -15.647 14.717 1.00 0.00 C ATOM 348 CD LYS A 447 1.853 -16.308 16.018 1.00 0.00 C ATOM 349 CE LYS A 447 0.879 -16.001 17.144 1.00 0.00 C ATOM 350 NZ LYS A 447 1.527 -16.098 18.481 1.00 0.00 N ATOM 0 H LYS A 447 -0.578 -13.707 14.182 1.00 0.00 H new ATOM 0 HA LYS A 447 1.722 -12.425 13.446 1.00 0.00 H new ATOM 0 HB2 LYS A 447 2.875 -14.074 14.807 1.00 0.00 H new ATOM 0 HB3 LYS A 447 1.339 -13.681 15.554 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.351 -15.757 14.587 1.00 0.00 H new ATOM 0 HG3 LYS A 447 1.904 -16.154 13.878 1.00 0.00 H new ATOM 0 HD2 LYS A 447 1.917 -17.387 15.875 1.00 0.00 H new ATOM 0 HD3 LYS A 447 2.850 -15.963 16.294 1.00 0.00 H new ATOM 0 HE2 LYS A 447 0.473 -14.998 17.009 1.00 0.00 H new ATOM 0 HE3 LYS A 447 0.039 -16.694 17.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 0.829 -15.882 19.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 1.892 -17.062 18.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 2.312 -15.419 18.536 1.00 0.00 H new ATOM 364 N GLU A 448 1.351 -15.258 11.797 1.00 0.00 N ATOM 365 CA GLU A 448 1.828 -16.013 10.644 1.00 0.00 C ATOM 366 C GLU A 448 2.238 -15.076 9.512 1.00 0.00 C ATOM 367 O GLU A 448 3.083 -15.419 8.684 1.00 0.00 O ATOM 368 CB GLU A 448 0.745 -16.978 10.156 1.00 0.00 C ATOM 369 CG GLU A 448 -0.438 -16.284 9.501 1.00 0.00 C ATOM 370 CD GLU A 448 -1.721 -17.084 9.617 1.00 0.00 C ATOM 371 OE1 GLU A 448 -2.371 -17.010 10.681 1.00 0.00 O ATOM 372 OE2 GLU A 448 -2.074 -17.785 8.646 1.00 0.00 O ATOM 0 H GLU A 448 0.529 -15.656 12.252 1.00 0.00 H new ATOM 0 HA GLU A 448 2.703 -16.585 10.953 1.00 0.00 H new ATOM 0 HB2 GLU A 448 1.186 -17.676 9.444 1.00 0.00 H new ATOM 0 HB3 GLU A 448 0.388 -17.567 11.001 1.00 0.00 H new ATOM 0 HG2 GLU A 448 -0.581 -15.306 9.961 1.00 0.00 H new ATOM 0 HG3 GLU A 448 -0.216 -16.111 8.448 1.00 0.00 H new ATOM 379 N TRP A 449 1.633 -13.894 9.481 1.00 0.00 N ATOM 380 CA TRP A 449 1.935 -12.908 8.450 1.00 0.00 C ATOM 381 C TRP A 449 3.345 -12.354 8.623 1.00 0.00 C ATOM 382 O TRP A 449 3.988 -12.573 9.650 1.00 0.00 O ATOM 383 CB TRP A 449 0.916 -11.767 8.493 1.00 0.00 C ATOM 384 CG TRP A 449 -0.379 -12.102 7.819 1.00 0.00 C ATOM 385 CD1 TRP A 449 -1.019 -13.309 7.825 1.00 0.00 C ATOM 386 CD2 TRP A 449 -1.192 -11.220 7.037 1.00 0.00 C ATOM 387 NE1 TRP A 449 -2.180 -13.230 7.095 1.00 0.00 N ATOM 388 CE2 TRP A 449 -2.309 -11.959 6.601 1.00 0.00 C ATOM 389 CE3 TRP A 449 -1.085 -9.877 6.664 1.00 0.00 C ATOM 390 CZ2 TRP A 449 -3.310 -11.398 5.811 1.00 0.00 C ATOM 391 CZ3 TRP A 449 -2.078 -9.323 5.880 1.00 0.00 C ATOM 392 CH2 TRP A 449 -3.179 -10.082 5.461 1.00 0.00 C ATOM 0 H TRP A 449 0.931 -13.595 10.158 1.00 0.00 H new ATOM 0 HA TRP A 449 1.876 -13.402 7.480 1.00 0.00 H new ATOM 0 HB2 TRP A 449 0.719 -11.504 9.532 1.00 0.00 H new ATOM 0 HB3 TRP A 449 1.347 -10.886 8.018 1.00 0.00 H new ATOM 0 HD1 TRP A 449 -0.664 -14.195 8.330 1.00 0.00 H new ATOM 0 HE1 TRP A 449 -2.839 -13.994 6.945 1.00 0.00 H new ATOM 0 HE3 TRP A 449 -0.241 -9.283 6.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 449 -4.159 -11.981 5.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 449 -2.005 -8.287 5.585 1.00 0.00 H new ATOM 0 HH2 TRP A 449 -3.939 -9.619 4.850 1.00 0.00 H new ATOM 403 N LYS A 450 3.821 -11.634 7.612 1.00 0.00 N ATOM 404 CA LYS A 450 5.155 -11.047 7.652 1.00 0.00 C ATOM 405 C LYS A 450 5.193 -9.731 6.881 1.00 0.00 C ATOM 406 O LYS A 450 4.271 -9.412 6.130 1.00 0.00 O ATOM 407 CB LYS A 450 6.181 -12.021 7.070 1.00 0.00 C ATOM 408 CG LYS A 450 6.612 -13.105 8.044 1.00 0.00 C ATOM 409 CD LYS A 450 7.703 -12.612 8.979 1.00 0.00 C ATOM 410 CE LYS A 450 9.081 -12.749 8.348 1.00 0.00 C ATOM 411 NZ LYS A 450 10.161 -12.772 9.373 1.00 0.00 N ATOM 0 H LYS A 450 3.302 -11.443 6.755 1.00 0.00 H new ATOM 0 HA LYS A 450 5.405 -10.845 8.694 1.00 0.00 H new ATOM 0 HB2 LYS A 450 5.760 -12.490 6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 450 7.060 -11.461 6.750 1.00 0.00 H new ATOM 0 HG2 LYS A 450 5.752 -13.434 8.628 1.00 0.00 H new ATOM 0 HG3 LYS A 450 6.971 -13.972 7.489 1.00 0.00 H new ATOM 0 HD2 LYS A 450 7.521 -11.568 9.234 1.00 0.00 H new ATOM 0 HD3 LYS A 450 7.670 -13.178 9.910 1.00 0.00 H new ATOM 0 HE2 LYS A 450 9.121 -13.665 7.758 1.00 0.00 H new ATOM 0 HE3 LYS A 450 9.250 -11.920 7.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 450 11.084 -12.866 8.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 450 10.140 -11.887 9.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 450 10.015 -13.578 10.013 1.00 0.00 H new ATOM 425 N THR A 451 6.267 -8.970 7.071 1.00 0.00 N ATOM 426 CA THR A 451 6.425 -7.690 6.393 1.00 0.00 C ATOM 427 C THR A 451 6.135 -7.817 4.902 1.00 0.00 C ATOM 428 O THR A 451 5.265 -7.128 4.368 1.00 0.00 O ATOM 429 CB THR A 451 7.847 -7.127 6.581 1.00 0.00 C ATOM 430 OG1 THR A 451 8.188 -7.112 7.972 1.00 0.00 O ATOM 431 CG2 THR A 451 7.951 -5.719 6.014 1.00 0.00 C ATOM 0 H THR A 451 7.040 -9.218 7.689 1.00 0.00 H new ATOM 0 HA THR A 451 5.707 -7.004 6.843 1.00 0.00 H new ATOM 0 HB THR A 451 8.543 -7.771 6.043 1.00 0.00 H new ATOM 0 HG1 THR A 451 9.094 -6.754 8.083 1.00 0.00 H new ATOM 0 HG21 THR A 451 8.964 -5.343 6.158 1.00 0.00 H new ATOM 0 HG22 THR A 451 7.719 -5.738 4.949 1.00 0.00 H new ATOM 0 HG23 THR A 451 7.245 -5.067 6.528 1.00 0.00 H new ATOM 439 N SER A 452 6.867 -8.703 4.234 1.00 0.00 N ATOM 440 CA SER A 452 6.690 -8.918 2.803 1.00 0.00 C ATOM 441 C SER A 452 5.214 -9.100 2.460 1.00 0.00 C ATOM 442 O SER A 452 4.735 -8.598 1.443 1.00 0.00 O ATOM 443 CB SER A 452 7.486 -10.142 2.347 1.00 0.00 C ATOM 444 OG SER A 452 8.874 -9.858 2.299 1.00 0.00 O ATOM 0 H SER A 452 7.589 -9.284 4.661 1.00 0.00 H new ATOM 0 HA SER A 452 7.061 -8.037 2.279 1.00 0.00 H new ATOM 0 HB2 SER A 452 7.305 -10.973 3.029 1.00 0.00 H new ATOM 0 HB3 SER A 452 7.142 -10.458 1.362 1.00 0.00 H new ATOM 0 HG SER A 452 9.361 -10.656 2.007 1.00 0.00 H new ATOM 450 N ASP A 453 4.500 -9.823 3.316 1.00 0.00 N ATOM 451 CA ASP A 453 3.078 -10.072 3.105 1.00 0.00 C ATOM 452 C ASP A 453 2.299 -8.762 3.055 1.00 0.00 C ATOM 453 O ASP A 453 1.475 -8.551 2.163 1.00 0.00 O ATOM 454 CB ASP A 453 2.526 -10.966 4.216 1.00 0.00 C ATOM 455 CG ASP A 453 1.365 -11.821 3.748 1.00 0.00 C ATOM 456 OD1 ASP A 453 0.263 -11.269 3.548 1.00 0.00 O ATOM 457 OD2 ASP A 453 1.559 -13.043 3.580 1.00 0.00 O ATOM 0 H ASP A 453 4.882 -10.247 4.162 1.00 0.00 H new ATOM 0 HA ASP A 453 2.961 -10.580 2.148 1.00 0.00 H new ATOM 0 HB2 ASP A 453 3.322 -11.611 4.588 1.00 0.00 H new ATOM 0 HB3 ASP A 453 2.202 -10.345 5.051 1.00 0.00 H new ATOM 462 N LEU A 454 2.563 -7.884 4.017 1.00 0.00 N ATOM 463 CA LEU A 454 1.885 -6.594 4.083 1.00 0.00 C ATOM 464 C LEU A 454 2.170 -5.765 2.834 1.00 0.00 C ATOM 465 O LEU A 454 1.265 -5.470 2.053 1.00 0.00 O ATOM 466 CB LEU A 454 2.327 -5.827 5.330 1.00 0.00 C ATOM 467 CG LEU A 454 1.592 -6.173 6.626 1.00 0.00 C ATOM 468 CD1 LEU A 454 0.090 -6.021 6.444 1.00 0.00 C ATOM 469 CD2 LEU A 454 1.937 -7.585 7.074 1.00 0.00 C ATOM 0 H LEU A 454 3.242 -8.042 4.762 1.00 0.00 H new ATOM 0 HA LEU A 454 0.812 -6.777 4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 454 3.392 -6.003 5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 454 2.204 -4.761 5.139 1.00 0.00 H new ATOM 0 HG LEU A 454 1.915 -5.479 7.401 1.00 0.00 H new ATOM 0 HD11 LEU A 454 -0.417 -6.271 7.376 1.00 0.00 H new ATOM 0 HD12 LEU A 454 -0.141 -4.991 6.171 1.00 0.00 H new ATOM 0 HD13 LEU A 454 -0.251 -6.691 5.655 1.00 0.00 H new ATOM 0 HD21 LEU A 454 1.405 -7.814 7.997 1.00 0.00 H new ATOM 0 HD22 LEU A 454 1.643 -8.294 6.300 1.00 0.00 H new ATOM 0 HD23 LEU A 454 3.011 -7.660 7.246 1.00 0.00 H new ATOM 481 N TYR A 455 3.432 -5.394 2.653 1.00 0.00 N ATOM 482 CA TYR A 455 3.837 -4.599 1.499 1.00 0.00 C ATOM 483 C TYR A 455 3.220 -5.147 0.216 1.00 0.00 C ATOM 484 O TYR A 455 2.601 -4.411 -0.551 1.00 0.00 O ATOM 485 CB TYR A 455 5.362 -4.578 1.377 1.00 0.00 C ATOM 486 CG TYR A 455 6.013 -3.439 2.128 1.00 0.00 C ATOM 487 CD1 TYR A 455 5.581 -2.130 1.955 1.00 0.00 C ATOM 488 CD2 TYR A 455 7.062 -3.671 3.009 1.00 0.00 C ATOM 489 CE1 TYR A 455 6.173 -1.085 2.639 1.00 0.00 C ATOM 490 CE2 TYR A 455 7.660 -2.633 3.697 1.00 0.00 C ATOM 491 CZ TYR A 455 7.212 -1.342 3.509 1.00 0.00 C ATOM 492 OH TYR A 455 7.806 -0.306 4.191 1.00 0.00 O ATOM 0 H TYR A 455 4.193 -5.631 3.290 1.00 0.00 H new ATOM 0 HA TYR A 455 3.477 -3.581 1.647 1.00 0.00 H new ATOM 0 HB2 TYR A 455 5.761 -5.522 1.748 1.00 0.00 H new ATOM 0 HB3 TYR A 455 5.633 -4.510 0.323 1.00 0.00 H new ATOM 0 HD1 TYR A 455 4.768 -1.925 1.274 1.00 0.00 H new ATOM 0 HD2 TYR A 455 7.416 -4.680 3.159 1.00 0.00 H new ATOM 0 HE1 TYR A 455 5.824 -0.073 2.493 1.00 0.00 H new ATOM 0 HE2 TYR A 455 8.474 -2.831 4.379 1.00 0.00 H new ATOM 0 HH TYR A 455 7.328 0.528 4.000 1.00 0.00 H new ATOM 502 N GLN A 456 3.395 -6.446 -0.009 1.00 0.00 N ATOM 503 CA GLN A 456 2.857 -7.094 -1.199 1.00 0.00 C ATOM 504 C GLN A 456 1.345 -6.910 -1.281 1.00 0.00 C ATOM 505 O GLN A 456 0.794 -6.684 -2.360 1.00 0.00 O ATOM 506 CB GLN A 456 3.202 -8.584 -1.194 1.00 0.00 C ATOM 507 CG GLN A 456 4.676 -8.867 -1.434 1.00 0.00 C ATOM 508 CD GLN A 456 5.013 -9.004 -2.905 1.00 0.00 C ATOM 509 OE1 GLN A 456 4.124 -9.041 -3.757 1.00 0.00 O ATOM 510 NE2 GLN A 456 6.302 -9.079 -3.213 1.00 0.00 N ATOM 0 H GLN A 456 3.905 -7.069 0.617 1.00 0.00 H new ATOM 0 HA GLN A 456 3.310 -6.627 -2.073 1.00 0.00 H new ATOM 0 HB2 GLN A 456 2.909 -9.013 -0.236 1.00 0.00 H new ATOM 0 HB3 GLN A 456 2.614 -9.087 -1.962 1.00 0.00 H new ATOM 0 HG2 GLN A 456 5.271 -8.062 -1.002 1.00 0.00 H new ATOM 0 HG3 GLN A 456 4.955 -9.784 -0.915 1.00 0.00 H new ATOM 0 HE21 GLN A 456 7.005 -9.044 -2.475 1.00 0.00 H new ATOM 0 HE22 GLN A 456 6.589 -9.171 -4.187 1.00 0.00 H new ATOM 519 N LEU A 457 0.679 -7.009 -0.136 1.00 0.00 N ATOM 520 CA LEU A 457 -0.771 -6.854 -0.078 1.00 0.00 C ATOM 521 C LEU A 457 -1.182 -5.434 -0.453 1.00 0.00 C ATOM 522 O LEU A 457 -2.029 -5.231 -1.324 1.00 0.00 O ATOM 523 CB LEU A 457 -1.284 -7.193 1.322 1.00 0.00 C ATOM 524 CG LEU A 457 -2.804 -7.238 1.488 1.00 0.00 C ATOM 525 CD1 LEU A 457 -3.352 -8.576 1.018 1.00 0.00 C ATOM 526 CD2 LEU A 457 -3.190 -6.980 2.937 1.00 0.00 C ATOM 0 H LEU A 457 1.119 -7.196 0.765 1.00 0.00 H new ATOM 0 HA LEU A 457 -1.215 -7.543 -0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -0.878 -8.163 1.611 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -0.884 -6.459 2.021 1.00 0.00 H new ATOM 0 HG LEU A 457 -3.242 -6.453 0.872 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -4.435 -8.590 1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -3.107 -8.720 -0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -2.908 -9.378 1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -4.275 -7.016 3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -2.742 -7.742 3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -2.830 -5.997 3.240 1.00 0.00 H new ATOM 538 N PHE A 458 -0.576 -4.454 0.208 1.00 0.00 N ATOM 539 CA PHE A 458 -0.878 -3.052 -0.056 1.00 0.00 C ATOM 540 C PHE A 458 -0.162 -2.569 -1.314 1.00 0.00 C ATOM 541 O PHE A 458 -0.410 -1.465 -1.797 1.00 0.00 O ATOM 542 CB PHE A 458 -0.474 -2.187 1.139 1.00 0.00 C ATOM 543 CG PHE A 458 -1.543 -2.076 2.188 1.00 0.00 C ATOM 544 CD1 PHE A 458 -1.627 -3.007 3.211 1.00 0.00 C ATOM 545 CD2 PHE A 458 -2.463 -1.041 2.152 1.00 0.00 C ATOM 546 CE1 PHE A 458 -2.610 -2.907 4.177 1.00 0.00 C ATOM 547 CE2 PHE A 458 -3.448 -0.936 3.115 1.00 0.00 C ATOM 548 CZ PHE A 458 -3.521 -1.870 4.130 1.00 0.00 C ATOM 0 H PHE A 458 0.128 -4.605 0.931 1.00 0.00 H new ATOM 0 HA PHE A 458 -1.953 -2.961 -0.214 1.00 0.00 H new ATOM 0 HB2 PHE A 458 0.426 -2.604 1.591 1.00 0.00 H new ATOM 0 HB3 PHE A 458 -0.219 -1.188 0.785 1.00 0.00 H new ATOM 0 HD1 PHE A 458 -0.917 -3.819 3.254 1.00 0.00 H new ATOM 0 HD2 PHE A 458 -2.410 -0.307 1.361 1.00 0.00 H new ATOM 0 HE1 PHE A 458 -2.666 -3.640 4.969 1.00 0.00 H new ATOM 0 HE2 PHE A 458 -4.160 -0.125 3.074 1.00 0.00 H new ATOM 0 HZ PHE A 458 -4.289 -1.790 4.885 1.00 0.00 H new ATOM 558 N SER A 459 0.729 -3.405 -1.838 1.00 0.00 N ATOM 559 CA SER A 459 1.485 -3.063 -3.037 1.00 0.00 C ATOM 560 C SER A 459 0.600 -2.348 -4.053 1.00 0.00 C ATOM 561 O SER A 459 1.025 -1.391 -4.699 1.00 0.00 O ATOM 562 CB SER A 459 2.086 -4.322 -3.664 1.00 0.00 C ATOM 563 OG SER A 459 3.204 -4.006 -4.474 1.00 0.00 O ATOM 0 H SER A 459 0.945 -4.324 -1.451 1.00 0.00 H new ATOM 0 HA SER A 459 2.292 -2.390 -2.747 1.00 0.00 H new ATOM 0 HB2 SER A 459 2.387 -5.015 -2.878 1.00 0.00 H new ATOM 0 HB3 SER A 459 1.330 -4.829 -4.264 1.00 0.00 H new ATOM 0 HG SER A 459 3.570 -4.828 -4.861 1.00 0.00 H new ATOM 569 N ALA A 460 -0.635 -2.821 -4.188 1.00 0.00 N ATOM 570 CA ALA A 460 -1.583 -2.227 -5.123 1.00 0.00 C ATOM 571 C ALA A 460 -1.378 -0.719 -5.228 1.00 0.00 C ATOM 572 O ALA A 460 -1.469 -0.145 -6.313 1.00 0.00 O ATOM 573 CB ALA A 460 -3.010 -2.539 -4.698 1.00 0.00 C ATOM 0 H ALA A 460 -1.002 -3.614 -3.662 1.00 0.00 H new ATOM 0 HA ALA A 460 -1.406 -2.661 -6.107 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -3.707 -2.089 -5.405 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -3.157 -3.619 -4.681 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -3.190 -2.133 -3.703 1.00 0.00 H new ATOM 579 N PHE A 461 -1.101 -0.083 -4.095 1.00 0.00 N ATOM 580 CA PHE A 461 -0.885 1.358 -4.060 1.00 0.00 C ATOM 581 C PHE A 461 0.573 1.697 -4.357 1.00 0.00 C ATOM 582 O PHE A 461 0.866 2.534 -5.210 1.00 0.00 O ATOM 583 CB PHE A 461 -1.283 1.922 -2.694 1.00 0.00 C ATOM 584 CG PHE A 461 -2.634 1.462 -2.227 1.00 0.00 C ATOM 585 CD1 PHE A 461 -3.774 1.764 -2.955 1.00 0.00 C ATOM 586 CD2 PHE A 461 -2.765 0.728 -1.059 1.00 0.00 C ATOM 587 CE1 PHE A 461 -5.019 1.342 -2.527 1.00 0.00 C ATOM 588 CE2 PHE A 461 -4.007 0.303 -0.627 1.00 0.00 C ATOM 589 CZ PHE A 461 -5.135 0.612 -1.361 1.00 0.00 C ATOM 0 H PHE A 461 -1.021 -0.543 -3.188 1.00 0.00 H new ATOM 0 HA PHE A 461 -1.510 1.812 -4.829 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -0.534 1.631 -1.957 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -1.276 3.011 -2.743 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -3.689 2.336 -3.867 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -1.886 0.485 -0.480 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -5.900 1.583 -3.104 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.095 -0.270 0.284 1.00 0.00 H new ATOM 0 HZ PHE A 461 -6.107 0.283 -1.023 1.00 0.00 H new ATOM 599 N GLY A 462 1.484 1.040 -3.646 1.00 0.00 N ATOM 600 CA GLY A 462 2.900 1.285 -3.847 1.00 0.00 C ATOM 601 C GLY A 462 3.638 1.526 -2.544 1.00 0.00 C ATOM 602 O GLY A 462 3.243 1.015 -1.497 1.00 0.00 O ATOM 0 H GLY A 462 1.267 0.342 -2.934 1.00 0.00 H new ATOM 0 HA2 GLY A 462 3.344 0.432 -4.360 1.00 0.00 H new ATOM 0 HA3 GLY A 462 3.027 2.150 -4.498 1.00 0.00 H new ATOM 606 N ASN A 463 4.713 2.305 -2.610 1.00 0.00 N ATOM 607 CA ASN A 463 5.509 2.610 -1.426 1.00 0.00 C ATOM 608 C ASN A 463 4.617 3.055 -0.271 1.00 0.00 C ATOM 609 O ASN A 463 3.857 4.016 -0.395 1.00 0.00 O ATOM 610 CB ASN A 463 6.534 3.700 -1.743 1.00 0.00 C ATOM 611 CG ASN A 463 7.423 3.335 -2.917 1.00 0.00 C ATOM 612 OD1 ASN A 463 8.233 2.412 -2.832 1.00 0.00 O ATOM 613 ND2 ASN A 463 7.274 4.060 -4.019 1.00 0.00 N ATOM 0 H ASN A 463 5.053 2.736 -3.470 1.00 0.00 H new ATOM 0 HA ASN A 463 6.034 1.703 -1.127 1.00 0.00 H new ATOM 0 HB2 ASN A 463 6.013 4.632 -1.961 1.00 0.00 H new ATOM 0 HB3 ASN A 463 7.153 3.879 -0.864 1.00 0.00 H new ATOM 0 HD21 ASN A 463 7.844 3.861 -4.841 1.00 0.00 H new ATOM 0 HD22 ASN A 463 6.589 4.816 -4.044 1.00 0.00 H new ATOM 620 N ILE A 464 4.717 2.351 0.851 1.00 0.00 N ATOM 621 CA ILE A 464 3.921 2.674 2.029 1.00 0.00 C ATOM 622 C ILE A 464 4.743 2.528 3.305 1.00 0.00 C ATOM 623 O ILE A 464 5.874 2.046 3.273 1.00 0.00 O ATOM 624 CB ILE A 464 2.673 1.776 2.129 1.00 0.00 C ATOM 625 CG1 ILE A 464 3.082 0.326 2.395 1.00 0.00 C ATOM 626 CG2 ILE A 464 1.846 1.874 0.856 1.00 0.00 C ATOM 627 CD1 ILE A 464 1.963 -0.524 2.954 1.00 0.00 C ATOM 0 H ILE A 464 5.341 1.553 0.970 1.00 0.00 H new ATOM 0 HA ILE A 464 3.604 3.711 1.921 1.00 0.00 H new ATOM 0 HB ILE A 464 2.061 2.120 2.963 1.00 0.00 H new ATOM 0 HG12 ILE A 464 3.436 -0.120 1.465 1.00 0.00 H new ATOM 0 HG13 ILE A 464 3.919 0.315 3.093 1.00 0.00 H new ATOM 0 HG21 ILE A 464 0.968 1.234 0.942 1.00 0.00 H new ATOM 0 HG22 ILE A 464 1.529 2.906 0.706 1.00 0.00 H new ATOM 0 HG23 ILE A 464 2.447 1.552 0.006 1.00 0.00 H new ATOM 0 HD11 ILE A 464 2.324 -1.539 3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 464 1.624 -0.102 3.900 1.00 0.00 H new ATOM 0 HD13 ILE A 464 1.133 -0.544 2.247 1.00 0.00 H new ATOM 639 N GLN A 465 4.164 2.947 4.426 1.00 0.00 N ATOM 640 CA GLN A 465 4.844 2.862 5.713 1.00 0.00 C ATOM 641 C GLN A 465 4.116 1.903 6.650 1.00 0.00 C ATOM 642 O GLN A 465 3.101 2.257 7.250 1.00 0.00 O ATOM 643 CB GLN A 465 4.940 4.247 6.356 1.00 0.00 C ATOM 644 CG GLN A 465 6.046 4.361 7.392 1.00 0.00 C ATOM 645 CD GLN A 465 7.407 4.601 6.770 1.00 0.00 C ATOM 646 OE1 GLN A 465 7.559 5.449 5.890 1.00 0.00 O ATOM 647 NE2 GLN A 465 8.406 3.854 7.224 1.00 0.00 N ATOM 0 H GLN A 465 3.227 3.348 4.469 1.00 0.00 H new ATOM 0 HA GLN A 465 5.850 2.479 5.540 1.00 0.00 H new ATOM 0 HB2 GLN A 465 5.106 4.990 5.576 1.00 0.00 H new ATOM 0 HB3 GLN A 465 3.987 4.487 6.827 1.00 0.00 H new ATOM 0 HG2 GLN A 465 5.815 5.177 8.076 1.00 0.00 H new ATOM 0 HG3 GLN A 465 6.078 3.447 7.985 1.00 0.00 H new ATOM 0 HE21 GLN A 465 8.235 3.163 7.955 1.00 0.00 H new ATOM 0 HE22 GLN A 465 9.345 3.971 6.842 1.00 0.00 H new ATOM 656 N ILE A 466 4.642 0.688 6.770 1.00 0.00 N ATOM 657 CA ILE A 466 4.042 -0.321 7.634 1.00 0.00 C ATOM 658 C ILE A 466 4.516 -0.162 9.075 1.00 0.00 C ATOM 659 O ILE A 466 5.657 -0.488 9.403 1.00 0.00 O ATOM 660 CB ILE A 466 4.373 -1.745 7.150 1.00 0.00 C ATOM 661 CG1 ILE A 466 3.848 -1.959 5.729 1.00 0.00 C ATOM 662 CG2 ILE A 466 3.783 -2.777 8.099 1.00 0.00 C ATOM 663 CD1 ILE A 466 4.412 -3.191 5.056 1.00 0.00 C ATOM 0 H ILE A 466 5.482 0.379 6.280 1.00 0.00 H new ATOM 0 HA ILE A 466 2.963 -0.173 7.591 1.00 0.00 H new ATOM 0 HB ILE A 466 5.456 -1.867 7.139 1.00 0.00 H new ATOM 0 HG12 ILE A 466 2.761 -2.037 5.760 1.00 0.00 H new ATOM 0 HG13 ILE A 466 4.088 -1.083 5.126 1.00 0.00 H new ATOM 0 HG21 ILE A 466 4.025 -3.779 7.744 1.00 0.00 H new ATOM 0 HG22 ILE A 466 4.200 -2.635 9.096 1.00 0.00 H new ATOM 0 HG23 ILE A 466 2.700 -2.658 8.138 1.00 0.00 H new ATOM 0 HD11 ILE A 466 3.996 -3.280 4.052 1.00 0.00 H new ATOM 0 HD12 ILE A 466 5.497 -3.107 4.993 1.00 0.00 H new ATOM 0 HD13 ILE A 466 4.150 -4.075 5.637 1.00 0.00 H new ATOM 675 N SER A 467 3.632 0.338 9.931 1.00 0.00 N ATOM 676 CA SER A 467 3.960 0.541 11.338 1.00 0.00 C ATOM 677 C SER A 467 3.599 -0.690 12.163 1.00 0.00 C ATOM 678 O SER A 467 2.434 -1.079 12.241 1.00 0.00 O ATOM 679 CB SER A 467 3.226 1.768 11.882 1.00 0.00 C ATOM 680 OG SER A 467 3.998 2.943 11.707 1.00 0.00 O ATOM 0 H SER A 467 2.683 0.610 9.676 1.00 0.00 H new ATOM 0 HA SER A 467 5.035 0.706 11.416 1.00 0.00 H new ATOM 0 HB2 SER A 467 2.269 1.879 11.372 1.00 0.00 H new ATOM 0 HB3 SER A 467 3.009 1.626 12.941 1.00 0.00 H new ATOM 0 HG SER A 467 3.506 3.713 12.061 1.00 0.00 H new ATOM 686 N TRP A 468 4.607 -1.298 12.778 1.00 0.00 N ATOM 687 CA TRP A 468 4.397 -2.486 13.598 1.00 0.00 C ATOM 688 C TRP A 468 4.016 -2.102 15.024 1.00 0.00 C ATOM 689 O TRP A 468 4.849 -1.611 15.787 1.00 0.00 O ATOM 690 CB TRP A 468 5.657 -3.352 13.610 1.00 0.00 C ATOM 691 CG TRP A 468 5.928 -4.023 12.297 1.00 0.00 C ATOM 692 CD1 TRP A 468 6.597 -3.495 11.230 1.00 0.00 C ATOM 693 CD2 TRP A 468 5.535 -5.345 11.913 1.00 0.00 C ATOM 694 NE1 TRP A 468 6.644 -4.410 10.205 1.00 0.00 N ATOM 695 CE2 TRP A 468 6.000 -5.553 10.599 1.00 0.00 C ATOM 696 CE3 TRP A 468 4.838 -6.374 12.551 1.00 0.00 C ATOM 697 CZ2 TRP A 468 5.788 -6.746 9.915 1.00 0.00 C ATOM 698 CZ3 TRP A 468 4.627 -7.558 11.870 1.00 0.00 C ATOM 699 CH2 TRP A 468 5.102 -7.737 10.564 1.00 0.00 C ATOM 0 H TRP A 468 5.577 -0.988 12.725 1.00 0.00 H new ATOM 0 HA TRP A 468 3.577 -3.057 13.163 1.00 0.00 H new ATOM 0 HB2 TRP A 468 6.513 -2.732 13.877 1.00 0.00 H new ATOM 0 HB3 TRP A 468 5.560 -4.112 14.385 1.00 0.00 H new ATOM 0 HD1 TRP A 468 7.026 -2.504 11.196 1.00 0.00 H new ATOM 0 HE1 TRP A 468 7.087 -4.262 9.298 1.00 0.00 H new ATOM 0 HE3 TRP A 468 4.471 -6.247 13.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 468 6.152 -6.885 8.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 468 4.087 -8.359 12.353 1.00 0.00 H new ATOM 0 HH2 TRP A 468 4.923 -8.675 10.060 1.00 0.00 H new ATOM 710 N ILE A 469 2.756 -2.329 15.377 1.00 0.00 N ATOM 711 CA ILE A 469 2.267 -2.008 16.712 1.00 0.00 C ATOM 712 C ILE A 469 2.434 -3.192 17.658 1.00 0.00 C ATOM 713 O ILE A 469 3.268 -3.163 18.563 1.00 0.00 O ATOM 714 CB ILE A 469 0.784 -1.593 16.684 1.00 0.00 C ATOM 715 CG1 ILE A 469 0.529 -0.607 15.542 1.00 0.00 C ATOM 716 CG2 ILE A 469 0.379 -0.983 18.017 1.00 0.00 C ATOM 717 CD1 ILE A 469 -0.871 -0.688 14.974 1.00 0.00 C ATOM 0 H ILE A 469 2.055 -2.734 14.757 1.00 0.00 H new ATOM 0 HA ILE A 469 2.863 -1.170 17.073 1.00 0.00 H new ATOM 0 HB ILE A 469 0.177 -2.482 16.514 1.00 0.00 H new ATOM 0 HG12 ILE A 469 0.708 0.406 15.901 1.00 0.00 H new ATOM 0 HG13 ILE A 469 1.247 -0.794 14.744 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -0.672 -0.695 17.981 1.00 0.00 H new ATOM 0 HG22 ILE A 469 0.528 -1.714 18.812 1.00 0.00 H new ATOM 0 HG23 ILE A 469 0.990 -0.102 18.215 1.00 0.00 H new ATOM 0 HD11 ILE A 469 -0.980 0.039 14.169 1.00 0.00 H new ATOM 0 HD12 ILE A 469 -1.048 -1.690 14.584 1.00 0.00 H new ATOM 0 HD13 ILE A 469 -1.595 -0.471 15.759 1.00 0.00 H new ATOM 729 N ASP A 470 1.636 -4.232 17.442 1.00 0.00 N ATOM 730 CA ASP A 470 1.697 -5.428 18.274 1.00 0.00 C ATOM 731 C ASP A 470 1.991 -6.663 17.428 1.00 0.00 C ATOM 732 O ASP A 470 2.234 -6.561 16.226 1.00 0.00 O ATOM 733 CB ASP A 470 0.382 -5.615 19.033 1.00 0.00 C ATOM 734 CG ASP A 470 -0.172 -4.306 19.561 1.00 0.00 C ATOM 735 OD1 ASP A 470 0.626 -3.474 20.039 1.00 0.00 O ATOM 736 OD2 ASP A 470 -1.405 -4.115 19.497 1.00 0.00 O ATOM 0 H ASP A 470 0.939 -4.271 16.698 1.00 0.00 H new ATOM 0 HA ASP A 470 2.507 -5.301 18.993 1.00 0.00 H new ATOM 0 HB2 ASP A 470 -0.352 -6.077 18.374 1.00 0.00 H new ATOM 0 HB3 ASP A 470 0.540 -6.301 19.865 1.00 0.00 H new ATOM 741 N ASP A 471 1.968 -7.829 18.065 1.00 0.00 N ATOM 742 CA ASP A 471 2.231 -9.084 17.372 1.00 0.00 C ATOM 743 C ASP A 471 1.178 -9.344 16.299 1.00 0.00 C ATOM 744 O ASP A 471 1.465 -9.947 15.264 1.00 0.00 O ATOM 745 CB ASP A 471 2.261 -10.245 18.367 1.00 0.00 C ATOM 746 CG ASP A 471 1.249 -10.076 19.484 1.00 0.00 C ATOM 747 OD1 ASP A 471 0.056 -10.360 19.250 1.00 0.00 O ATOM 748 OD2 ASP A 471 1.650 -9.659 20.591 1.00 0.00 O ATOM 0 H ASP A 471 1.770 -7.931 19.060 1.00 0.00 H new ATOM 0 HA ASP A 471 3.205 -9.006 16.888 1.00 0.00 H new ATOM 0 HB2 ASP A 471 2.063 -11.178 17.839 1.00 0.00 H new ATOM 0 HB3 ASP A 471 3.260 -10.327 18.795 1.00 0.00 H new ATOM 753 N THR A 472 -0.044 -8.887 16.554 1.00 0.00 N ATOM 754 CA THR A 472 -1.141 -9.072 15.612 1.00 0.00 C ATOM 755 C THR A 472 -1.815 -7.744 15.285 1.00 0.00 C ATOM 756 O THR A 472 -2.963 -7.712 14.843 1.00 0.00 O ATOM 757 CB THR A 472 -2.196 -10.048 16.163 1.00 0.00 C ATOM 758 OG1 THR A 472 -2.767 -9.524 17.367 1.00 0.00 O ATOM 759 CG2 THR A 472 -1.580 -11.411 16.441 1.00 0.00 C ATOM 0 H THR A 472 -0.299 -8.386 17.405 1.00 0.00 H new ATOM 0 HA THR A 472 -0.709 -9.491 14.703 1.00 0.00 H new ATOM 0 HB THR A 472 -2.977 -10.166 15.412 1.00 0.00 H new ATOM 0 HG1 THR A 472 -3.438 -10.150 17.710 1.00 0.00 H new ATOM 0 HG21 THR A 472 -2.345 -12.083 16.830 1.00 0.00 H new ATOM 0 HG22 THR A 472 -1.172 -11.821 15.517 1.00 0.00 H new ATOM 0 HG23 THR A 472 -0.782 -11.306 17.176 1.00 0.00 H new ATOM 767 N SER A 473 -1.093 -6.650 15.506 1.00 0.00 N ATOM 768 CA SER A 473 -1.623 -5.318 15.237 1.00 0.00 C ATOM 769 C SER A 473 -0.617 -4.480 14.455 1.00 0.00 C ATOM 770 O SER A 473 0.550 -4.380 14.832 1.00 0.00 O ATOM 771 CB SER A 473 -1.980 -4.614 16.548 1.00 0.00 C ATOM 772 OG SER A 473 -2.909 -5.377 17.300 1.00 0.00 O ATOM 0 H SER A 473 -0.140 -6.660 15.870 1.00 0.00 H new ATOM 0 HA SER A 473 -2.524 -5.428 14.634 1.00 0.00 H new ATOM 0 HB2 SER A 473 -1.076 -4.453 17.136 1.00 0.00 H new ATOM 0 HB3 SER A 473 -2.400 -3.631 16.334 1.00 0.00 H new ATOM 0 HG SER A 473 -2.748 -5.238 18.257 1.00 0.00 H new ATOM 778 N ALA A 474 -1.078 -3.880 13.363 1.00 0.00 N ATOM 779 CA ALA A 474 -0.220 -3.049 12.527 1.00 0.00 C ATOM 780 C ALA A 474 -0.966 -1.816 12.029 1.00 0.00 C ATOM 781 O ALA A 474 -2.175 -1.689 12.224 1.00 0.00 O ATOM 782 CB ALA A 474 0.314 -3.855 11.353 1.00 0.00 C ATOM 0 H ALA A 474 -2.041 -3.954 13.036 1.00 0.00 H new ATOM 0 HA ALA A 474 0.620 -2.712 13.134 1.00 0.00 H new ATOM 0 HB1 ALA A 474 0.953 -3.222 10.738 1.00 0.00 H new ATOM 0 HB2 ALA A 474 0.892 -4.701 11.725 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -0.520 -4.221 10.754 1.00 0.00 H new ATOM 788 N PHE A 475 -0.238 -0.909 11.387 1.00 0.00 N ATOM 789 CA PHE A 475 -0.831 0.316 10.862 1.00 0.00 C ATOM 790 C PHE A 475 -0.383 0.565 9.425 1.00 0.00 C ATOM 791 O PHE A 475 0.692 0.129 9.013 1.00 0.00 O ATOM 792 CB PHE A 475 -0.451 1.509 11.741 1.00 0.00 C ATOM 793 CG PHE A 475 -1.422 1.765 12.858 1.00 0.00 C ATOM 794 CD1 PHE A 475 -2.787 1.764 12.620 1.00 0.00 C ATOM 795 CD2 PHE A 475 -0.970 2.007 14.145 1.00 0.00 C ATOM 796 CE1 PHE A 475 -3.683 1.999 13.646 1.00 0.00 C ATOM 797 CE2 PHE A 475 -1.861 2.242 15.174 1.00 0.00 C ATOM 798 CZ PHE A 475 -3.220 2.240 14.924 1.00 0.00 C ATOM 0 H PHE A 475 0.764 -0.999 11.217 1.00 0.00 H new ATOM 0 HA PHE A 475 -1.915 0.198 10.870 1.00 0.00 H new ATOM 0 HB2 PHE A 475 0.539 1.338 12.163 1.00 0.00 H new ATOM 0 HB3 PHE A 475 -0.382 2.401 11.119 1.00 0.00 H new ATOM 0 HD1 PHE A 475 -3.155 1.578 11.622 1.00 0.00 H new ATOM 0 HD2 PHE A 475 0.091 2.012 14.346 1.00 0.00 H new ATOM 0 HE1 PHE A 475 -4.745 1.994 13.448 1.00 0.00 H new ATOM 0 HE2 PHE A 475 -1.496 2.427 16.173 1.00 0.00 H new ATOM 0 HZ PHE A 475 -3.918 2.427 15.727 1.00 0.00 H new ATOM 808 N VAL A 476 -1.217 1.269 8.665 1.00 0.00 N ATOM 809 CA VAL A 476 -0.908 1.577 7.274 1.00 0.00 C ATOM 810 C VAL A 476 -1.279 3.016 6.934 1.00 0.00 C ATOM 811 O VAL A 476 -2.457 3.371 6.893 1.00 0.00 O ATOM 812 CB VAL A 476 -1.646 0.627 6.311 1.00 0.00 C ATOM 813 CG1 VAL A 476 -1.341 0.989 4.866 1.00 0.00 C ATOM 814 CG2 VAL A 476 -1.270 -0.819 6.598 1.00 0.00 C ATOM 0 H VAL A 476 -2.111 1.636 8.990 1.00 0.00 H new ATOM 0 HA VAL A 476 0.167 1.443 7.152 1.00 0.00 H new ATOM 0 HB VAL A 476 -2.719 0.738 6.469 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -1.871 0.307 4.201 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -1.665 2.011 4.671 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -0.268 0.908 4.689 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -1.800 -1.476 5.909 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -0.195 -0.948 6.468 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -1.545 -1.070 7.623 1.00 0.00 H new ATOM 824 N SER A 477 -0.265 3.841 6.691 1.00 0.00 N ATOM 825 CA SER A 477 -0.485 5.244 6.358 1.00 0.00 C ATOM 826 C SER A 477 -0.424 5.459 4.849 1.00 0.00 C ATOM 827 O SER A 477 0.482 4.967 4.175 1.00 0.00 O ATOM 828 CB SER A 477 0.557 6.123 7.053 1.00 0.00 C ATOM 829 OG SER A 477 0.482 7.462 6.592 1.00 0.00 O ATOM 0 H SER A 477 0.716 3.562 6.718 1.00 0.00 H new ATOM 0 HA SER A 477 -1.478 5.525 6.708 1.00 0.00 H new ATOM 0 HB2 SER A 477 0.399 6.097 8.131 1.00 0.00 H new ATOM 0 HB3 SER A 477 1.555 5.726 6.867 1.00 0.00 H new ATOM 0 HG SER A 477 1.156 8.005 7.052 1.00 0.00 H new ATOM 835 N LEU A 478 -1.396 6.198 4.325 1.00 0.00 N ATOM 836 CA LEU A 478 -1.455 6.481 2.895 1.00 0.00 C ATOM 837 C LEU A 478 -1.235 7.965 2.623 1.00 0.00 C ATOM 838 O LEU A 478 -1.123 8.766 3.551 1.00 0.00 O ATOM 839 CB LEU A 478 -2.804 6.041 2.323 1.00 0.00 C ATOM 840 CG LEU A 478 -3.094 4.540 2.366 1.00 0.00 C ATOM 841 CD1 LEU A 478 -4.552 4.268 2.031 1.00 0.00 C ATOM 842 CD2 LEU A 478 -2.176 3.792 1.410 1.00 0.00 C ATOM 0 H LEU A 478 -2.153 6.612 4.869 1.00 0.00 H new ATOM 0 HA LEU A 478 -0.659 5.919 2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 478 -3.593 6.559 2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 478 -2.862 6.372 1.286 1.00 0.00 H new ATOM 0 HG LEU A 478 -2.902 4.181 3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 478 -4.739 3.195 2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 478 -5.192 4.772 2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 478 -4.771 4.642 1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 478 -2.396 2.725 1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 478 -2.335 4.154 0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 478 -1.138 3.960 1.696 1.00 0.00 H new ATOM 854 N SER A 479 -1.175 8.326 1.345 1.00 0.00 N ATOM 855 CA SER A 479 -0.967 9.714 0.951 1.00 0.00 C ATOM 856 C SER A 479 -2.301 10.435 0.776 1.00 0.00 C ATOM 857 O SER A 479 -2.481 11.553 1.258 1.00 0.00 O ATOM 858 CB SER A 479 -0.163 9.782 -0.349 1.00 0.00 C ATOM 859 OG SER A 479 1.172 9.354 -0.145 1.00 0.00 O ATOM 0 H SER A 479 -1.268 7.676 0.565 1.00 0.00 H new ATOM 0 HA SER A 479 -0.407 10.211 1.743 1.00 0.00 H new ATOM 0 HB2 SER A 479 -0.637 9.158 -1.107 1.00 0.00 H new ATOM 0 HB3 SER A 479 -0.167 10.803 -0.730 1.00 0.00 H new ATOM 0 HG SER A 479 1.665 9.405 -0.991 1.00 0.00 H new ATOM 865 N GLN A 480 -3.231 9.786 0.083 1.00 0.00 N ATOM 866 CA GLN A 480 -4.547 10.365 -0.156 1.00 0.00 C ATOM 867 C GLN A 480 -5.651 9.395 0.252 1.00 0.00 C ATOM 868 O GLN A 480 -5.450 8.182 0.324 1.00 0.00 O ATOM 869 CB GLN A 480 -4.702 10.740 -1.631 1.00 0.00 C ATOM 870 CG GLN A 480 -4.057 12.068 -1.992 1.00 0.00 C ATOM 871 CD GLN A 480 -4.774 13.252 -1.374 1.00 0.00 C ATOM 872 OE1 GLN A 480 -4.351 13.781 -0.345 1.00 0.00 O ATOM 873 NE2 GLN A 480 -5.866 13.675 -1.999 1.00 0.00 N ATOM 0 H GLN A 480 -3.097 8.860 -0.322 1.00 0.00 H new ATOM 0 HA GLN A 480 -4.636 11.265 0.452 1.00 0.00 H new ATOM 0 HB2 GLN A 480 -4.263 9.954 -2.245 1.00 0.00 H new ATOM 0 HB3 GLN A 480 -5.763 10.782 -1.877 1.00 0.00 H new ATOM 0 HG2 GLN A 480 -3.018 12.065 -1.662 1.00 0.00 H new ATOM 0 HG3 GLN A 480 -4.047 12.180 -3.076 1.00 0.00 H new ATOM 0 HE21 GLN A 480 -6.181 13.207 -2.849 1.00 0.00 H new ATOM 0 HE22 GLN A 480 -6.390 14.468 -1.629 1.00 0.00 H new ATOM 882 N PRO A 481 -6.846 9.939 0.527 1.00 0.00 N ATOM 883 CA PRO A 481 -8.005 9.139 0.933 1.00 0.00 C ATOM 884 C PRO A 481 -8.547 8.284 -0.207 1.00 0.00 C ATOM 885 O PRO A 481 -9.193 7.262 0.026 1.00 0.00 O ATOM 886 CB PRO A 481 -9.035 10.193 1.348 1.00 0.00 C ATOM 887 CG PRO A 481 -8.655 11.415 0.585 1.00 0.00 C ATOM 888 CD PRO A 481 -7.157 11.377 0.462 1.00 0.00 C ATOM 0 HA PRO A 481 -7.756 8.432 1.724 1.00 0.00 H new ATOM 0 HB2 PRO A 481 -10.048 9.874 1.105 1.00 0.00 H new ATOM 0 HB3 PRO A 481 -9.007 10.373 2.423 1.00 0.00 H new ATOM 0 HG2 PRO A 481 -9.127 11.424 -0.397 1.00 0.00 H new ATOM 0 HG3 PRO A 481 -8.981 12.316 1.104 1.00 0.00 H new ATOM 0 HD2 PRO A 481 -6.819 11.819 -0.475 1.00 0.00 H new ATOM 0 HD3 PRO A 481 -6.673 11.930 1.268 1.00 0.00 H new ATOM 896 N GLU A 482 -8.280 8.708 -1.438 1.00 0.00 N ATOM 897 CA GLU A 482 -8.742 7.979 -2.613 1.00 0.00 C ATOM 898 C GLU A 482 -8.471 6.484 -2.468 1.00 0.00 C ATOM 899 O GLU A 482 -9.255 5.654 -2.926 1.00 0.00 O ATOM 900 CB GLU A 482 -8.058 8.513 -3.873 1.00 0.00 C ATOM 901 CG GLU A 482 -6.556 8.687 -3.723 1.00 0.00 C ATOM 902 CD GLU A 482 -5.965 9.599 -4.781 1.00 0.00 C ATOM 903 OE1 GLU A 482 -6.600 10.625 -5.102 1.00 0.00 O ATOM 904 OE2 GLU A 482 -4.867 9.286 -5.287 1.00 0.00 O ATOM 0 H GLU A 482 -7.747 9.552 -1.647 1.00 0.00 H new ATOM 0 HA GLU A 482 -9.818 8.128 -2.701 1.00 0.00 H new ATOM 0 HB2 GLU A 482 -8.255 7.831 -4.700 1.00 0.00 H new ATOM 0 HB3 GLU A 482 -8.502 9.473 -4.138 1.00 0.00 H new ATOM 0 HG2 GLU A 482 -6.338 9.094 -2.735 1.00 0.00 H new ATOM 0 HG3 GLU A 482 -6.074 7.711 -3.779 1.00 0.00 H new ATOM 911 N GLN A 483 -7.354 6.151 -1.829 1.00 0.00 N ATOM 912 CA GLN A 483 -6.979 4.757 -1.625 1.00 0.00 C ATOM 913 C GLN A 483 -7.818 4.123 -0.521 1.00 0.00 C ATOM 914 O GLN A 483 -8.347 3.023 -0.682 1.00 0.00 O ATOM 915 CB GLN A 483 -5.493 4.653 -1.276 1.00 0.00 C ATOM 916 CG GLN A 483 -4.571 4.947 -2.448 1.00 0.00 C ATOM 917 CD GLN A 483 -3.213 5.458 -2.009 1.00 0.00 C ATOM 918 OE1 GLN A 483 -3.089 6.109 -0.971 1.00 0.00 O ATOM 919 NE2 GLN A 483 -2.186 5.167 -2.799 1.00 0.00 N ATOM 0 H GLN A 483 -6.694 6.827 -1.444 1.00 0.00 H new ATOM 0 HA GLN A 483 -7.166 4.217 -2.553 1.00 0.00 H new ATOM 0 HB2 GLN A 483 -5.269 5.347 -0.466 1.00 0.00 H new ATOM 0 HB3 GLN A 483 -5.285 3.650 -0.904 1.00 0.00 H new ATOM 0 HG2 GLN A 483 -4.440 4.040 -3.039 1.00 0.00 H new ATOM 0 HG3 GLN A 483 -5.040 5.686 -3.098 1.00 0.00 H new ATOM 0 HE21 GLN A 483 -2.335 4.625 -3.650 1.00 0.00 H new ATOM 0 HE22 GLN A 483 -1.248 5.486 -2.555 1.00 0.00 H new ATOM 928 N VAL A 484 -7.936 4.824 0.603 1.00 0.00 N ATOM 929 CA VAL A 484 -8.712 4.330 1.734 1.00 0.00 C ATOM 930 C VAL A 484 -9.955 3.583 1.264 1.00 0.00 C ATOM 931 O VAL A 484 -10.083 2.378 1.474 1.00 0.00 O ATOM 932 CB VAL A 484 -9.139 5.480 2.666 1.00 0.00 C ATOM 933 CG1 VAL A 484 -10.072 4.968 3.753 1.00 0.00 C ATOM 934 CG2 VAL A 484 -7.918 6.153 3.275 1.00 0.00 C ATOM 0 H VAL A 484 -7.504 5.736 0.754 1.00 0.00 H new ATOM 0 HA VAL A 484 -8.068 3.645 2.285 1.00 0.00 H new ATOM 0 HB VAL A 484 -9.679 6.221 2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 484 -10.363 5.794 4.402 1.00 0.00 H new ATOM 0 HG12 VAL A 484 -10.962 4.536 3.295 1.00 0.00 H new ATOM 0 HG13 VAL A 484 -9.561 4.207 4.342 1.00 0.00 H new ATOM 0 HG21 VAL A 484 -8.238 6.963 3.931 1.00 0.00 H new ATOM 0 HG22 VAL A 484 -7.350 5.423 3.851 1.00 0.00 H new ATOM 0 HG23 VAL A 484 -7.290 6.556 2.480 1.00 0.00 H new ATOM 944 N GLN A 485 -10.869 4.309 0.627 1.00 0.00 N ATOM 945 CA GLN A 485 -12.102 3.714 0.127 1.00 0.00 C ATOM 946 C GLN A 485 -11.859 2.293 -0.371 1.00 0.00 C ATOM 947 O GLN A 485 -12.500 1.347 0.086 1.00 0.00 O ATOM 948 CB GLN A 485 -12.686 4.569 -1.000 1.00 0.00 C ATOM 949 CG GLN A 485 -13.406 5.814 -0.508 1.00 0.00 C ATOM 950 CD GLN A 485 -14.442 5.507 0.555 1.00 0.00 C ATOM 951 OE1 GLN A 485 -15.593 5.197 0.246 1.00 0.00 O ATOM 952 NE2 GLN A 485 -14.038 5.591 1.818 1.00 0.00 N ATOM 0 H GLN A 485 -10.778 5.309 0.446 1.00 0.00 H new ATOM 0 HA GLN A 485 -12.815 3.674 0.950 1.00 0.00 H new ATOM 0 HB2 GLN A 485 -11.882 4.866 -1.673 1.00 0.00 H new ATOM 0 HB3 GLN A 485 -13.381 3.963 -1.582 1.00 0.00 H new ATOM 0 HG2 GLN A 485 -12.676 6.516 -0.106 1.00 0.00 H new ATOM 0 HG3 GLN A 485 -13.891 6.306 -1.351 1.00 0.00 H new ATOM 0 HE21 GLN A 485 -13.075 5.851 2.029 1.00 0.00 H new ATOM 0 HE22 GLN A 485 -14.691 5.395 2.576 1.00 0.00 H new ATOM 961 N ILE A 486 -10.930 2.152 -1.311 1.00 0.00 N ATOM 962 CA ILE A 486 -10.602 0.846 -1.870 1.00 0.00 C ATOM 963 C ILE A 486 -10.112 -0.108 -0.786 1.00 0.00 C ATOM 964 O ILE A 486 -10.679 -1.182 -0.588 1.00 0.00 O ATOM 965 CB ILE A 486 -9.527 0.957 -2.966 1.00 0.00 C ATOM 966 CG1 ILE A 486 -10.089 1.680 -4.192 1.00 0.00 C ATOM 967 CG2 ILE A 486 -9.015 -0.424 -3.348 1.00 0.00 C ATOM 968 CD1 ILE A 486 -9.937 3.184 -4.128 1.00 0.00 C ATOM 0 H ILE A 486 -10.392 2.925 -1.701 1.00 0.00 H new ATOM 0 HA ILE A 486 -11.518 0.452 -2.310 1.00 0.00 H new ATOM 0 HB ILE A 486 -8.691 1.538 -2.576 1.00 0.00 H new ATOM 0 HG12 ILE A 486 -9.585 1.310 -5.085 1.00 0.00 H new ATOM 0 HG13 ILE A 486 -11.146 1.434 -4.297 1.00 0.00 H new ATOM 0 HG21 ILE A 486 -8.256 -0.329 -4.124 1.00 0.00 H new ATOM 0 HG22 ILE A 486 -8.580 -0.906 -2.472 1.00 0.00 H new ATOM 0 HG23 ILE A 486 -9.842 -1.028 -3.722 1.00 0.00 H new ATOM 0 HD11 ILE A 486 -10.357 3.631 -5.029 1.00 0.00 H new ATOM 0 HD12 ILE A 486 -10.464 3.566 -3.254 1.00 0.00 H new ATOM 0 HD13 ILE A 486 -8.880 3.440 -4.055 1.00 0.00 H new ATOM 980 N ALA A 487 -9.055 0.292 -0.087 1.00 0.00 N ATOM 981 CA ALA A 487 -8.490 -0.526 0.979 1.00 0.00 C ATOM 982 C ALA A 487 -9.587 -1.121 1.855 1.00 0.00 C ATOM 983 O ALA A 487 -9.429 -2.206 2.414 1.00 0.00 O ATOM 984 CB ALA A 487 -7.527 0.298 1.822 1.00 0.00 C ATOM 0 H ALA A 487 -8.573 1.178 -0.240 1.00 0.00 H new ATOM 0 HA ALA A 487 -7.942 -1.349 0.520 1.00 0.00 H new ATOM 0 HB1 ALA A 487 -7.112 -0.325 2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 487 -6.719 0.670 1.192 1.00 0.00 H new ATOM 0 HB3 ALA A 487 -8.059 1.140 2.264 1.00 0.00 H new ATOM 990 N VAL A 488 -10.700 -0.402 1.971 1.00 0.00 N ATOM 991 CA VAL A 488 -11.824 -0.860 2.779 1.00 0.00 C ATOM 992 C VAL A 488 -12.745 -1.770 1.974 1.00 0.00 C ATOM 993 O VAL A 488 -12.854 -2.963 2.253 1.00 0.00 O ATOM 994 CB VAL A 488 -12.641 0.326 3.325 1.00 0.00 C ATOM 995 CG1 VAL A 488 -13.765 -0.169 4.223 1.00 0.00 C ATOM 996 CG2 VAL A 488 -11.739 1.296 4.073 1.00 0.00 C ATOM 0 H VAL A 488 -10.847 0.499 1.516 1.00 0.00 H new ATOM 0 HA VAL A 488 -11.406 -1.420 3.615 1.00 0.00 H new ATOM 0 HB VAL A 488 -13.086 0.856 2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 488 -14.332 0.683 4.600 1.00 0.00 H new ATOM 0 HG12 VAL A 488 -14.426 -0.821 3.652 1.00 0.00 H new ATOM 0 HG13 VAL A 488 -13.343 -0.724 5.061 1.00 0.00 H new ATOM 0 HG21 VAL A 488 -12.333 2.127 4.452 1.00 0.00 H new ATOM 0 HG22 VAL A 488 -11.263 0.781 4.907 1.00 0.00 H new ATOM 0 HG23 VAL A 488 -10.973 1.676 3.397 1.00 0.00 H new ATOM 1006 N ASN A 489 -13.406 -1.198 0.973 1.00 0.00 N ATOM 1007 CA ASN A 489 -14.319 -1.958 0.126 1.00 0.00 C ATOM 1008 C ASN A 489 -13.804 -3.378 -0.091 1.00 0.00 C ATOM 1009 O ASN A 489 -14.585 -4.321 -0.219 1.00 0.00 O ATOM 1010 CB ASN A 489 -14.499 -1.257 -1.222 1.00 0.00 C ATOM 1011 CG ASN A 489 -15.121 -2.164 -2.266 1.00 0.00 C ATOM 1012 OD1 ASN A 489 -15.899 -3.062 -1.941 1.00 0.00 O ATOM 1013 ND2 ASN A 489 -14.780 -1.934 -3.528 1.00 0.00 N ATOM 0 H ASN A 489 -13.327 -0.211 0.728 1.00 0.00 H new ATOM 0 HA ASN A 489 -15.283 -2.013 0.631 1.00 0.00 H new ATOM 0 HB2 ASN A 489 -15.127 -0.376 -1.089 1.00 0.00 H new ATOM 0 HB3 ASN A 489 -13.530 -0.907 -1.579 1.00 0.00 H new ATOM 0 HD21 ASN A 489 -15.166 -2.512 -4.274 1.00 0.00 H new ATOM 0 HD22 ASN A 489 -14.132 -1.179 -3.752 1.00 0.00 H new ATOM 1020 N THR A 490 -12.483 -3.523 -0.131 1.00 0.00 N ATOM 1021 CA THR A 490 -11.863 -4.827 -0.333 1.00 0.00 C ATOM 1022 C THR A 490 -11.909 -5.661 0.943 1.00 0.00 C ATOM 1023 O THR A 490 -12.484 -6.749 0.964 1.00 0.00 O ATOM 1024 CB THR A 490 -10.399 -4.688 -0.789 1.00 0.00 C ATOM 1025 OG1 THR A 490 -9.671 -3.876 0.139 1.00 0.00 O ATOM 1026 CG2 THR A 490 -10.322 -4.072 -2.178 1.00 0.00 C ATOM 0 H THR A 490 -11.822 -2.753 -0.026 1.00 0.00 H new ATOM 0 HA THR A 490 -12.433 -5.331 -1.114 1.00 0.00 H new ATOM 0 HB THR A 490 -9.957 -5.684 -0.824 1.00 0.00 H new ATOM 0 HG1 THR A 490 -9.824 -2.930 -0.064 1.00 0.00 H new ATOM 0 HG21 THR A 490 -9.278 -3.983 -2.479 1.00 0.00 H new ATOM 0 HG22 THR A 490 -10.852 -4.707 -2.888 1.00 0.00 H new ATOM 0 HG23 THR A 490 -10.781 -3.083 -2.163 1.00 0.00 H new ATOM 1034 N SER A 491 -11.301 -5.143 2.005 1.00 0.00 N ATOM 1035 CA SER A 491 -11.269 -5.842 3.284 1.00 0.00 C ATOM 1036 C SER A 491 -12.678 -6.219 3.732 1.00 0.00 C ATOM 1037 O SER A 491 -12.866 -7.154 4.510 1.00 0.00 O ATOM 1038 CB SER A 491 -10.600 -4.971 4.349 1.00 0.00 C ATOM 1039 OG SER A 491 -11.537 -4.101 4.960 1.00 0.00 O ATOM 0 H SER A 491 -10.824 -4.242 2.005 1.00 0.00 H new ATOM 0 HA SER A 491 -10.690 -6.756 3.156 1.00 0.00 H new ATOM 0 HB2 SER A 491 -10.141 -5.606 5.107 1.00 0.00 H new ATOM 0 HB3 SER A 491 -9.799 -4.387 3.895 1.00 0.00 H new ATOM 0 HG SER A 491 -12.056 -3.641 4.268 1.00 0.00 H new ATOM 1045 N LYS A 492 -13.667 -5.484 3.234 1.00 0.00 N ATOM 1046 CA LYS A 492 -15.060 -5.740 3.579 1.00 0.00 C ATOM 1047 C LYS A 492 -15.385 -7.226 3.465 1.00 0.00 C ATOM 1048 O LYS A 492 -15.902 -7.832 4.404 1.00 0.00 O ATOM 1049 CB LYS A 492 -15.989 -4.933 2.670 1.00 0.00 C ATOM 1050 CG LYS A 492 -16.130 -3.478 3.081 1.00 0.00 C ATOM 1051 CD LYS A 492 -16.809 -3.344 4.433 1.00 0.00 C ATOM 1052 CE LYS A 492 -17.094 -1.888 4.772 1.00 0.00 C ATOM 1053 NZ LYS A 492 -18.270 -1.365 4.023 1.00 0.00 N ATOM 0 H LYS A 492 -13.529 -4.706 2.590 1.00 0.00 H new ATOM 0 HA LYS A 492 -15.214 -5.431 4.613 1.00 0.00 H new ATOM 0 HB2 LYS A 492 -15.613 -4.978 1.648 1.00 0.00 H new ATOM 0 HB3 LYS A 492 -16.975 -5.398 2.667 1.00 0.00 H new ATOM 0 HG2 LYS A 492 -15.145 -3.013 3.120 1.00 0.00 H new ATOM 0 HG3 LYS A 492 -16.707 -2.941 2.328 1.00 0.00 H new ATOM 0 HD2 LYS A 492 -17.742 -3.907 4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 492 -16.175 -3.781 5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 492 -17.274 -1.793 5.843 1.00 0.00 H new ATOM 0 HE3 LYS A 492 -16.217 -1.283 4.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 -18.452 -0.381 4.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 -18.075 -1.401 3.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 -19.105 -1.947 4.237 1.00 0.00 H new ATOM 1067 N TYR A 493 -15.077 -7.808 2.311 1.00 0.00 N ATOM 1068 CA TYR A 493 -15.337 -9.223 2.075 1.00 0.00 C ATOM 1069 C TYR A 493 -14.203 -10.084 2.622 1.00 0.00 C ATOM 1070 O TYR A 493 -14.436 -11.154 3.184 1.00 0.00 O ATOM 1071 CB TYR A 493 -15.517 -9.487 0.579 1.00 0.00 C ATOM 1072 CG TYR A 493 -14.220 -9.469 -0.199 1.00 0.00 C ATOM 1073 CD1 TYR A 493 -13.444 -10.615 -0.320 1.00 0.00 C ATOM 1074 CD2 TYR A 493 -13.771 -8.306 -0.812 1.00 0.00 C ATOM 1075 CE1 TYR A 493 -12.259 -10.603 -1.029 1.00 0.00 C ATOM 1076 CE2 TYR A 493 -12.588 -8.285 -1.524 1.00 0.00 C ATOM 1077 CZ TYR A 493 -11.835 -9.436 -1.630 1.00 0.00 C ATOM 1078 OH TYR A 493 -10.655 -9.419 -2.338 1.00 0.00 O ATOM 0 H TYR A 493 -14.647 -7.321 1.524 1.00 0.00 H new ATOM 0 HA TYR A 493 -16.256 -9.490 2.598 1.00 0.00 H new ATOM 0 HB2 TYR A 493 -15.998 -10.456 0.445 1.00 0.00 H new ATOM 0 HB3 TYR A 493 -16.190 -8.737 0.164 1.00 0.00 H new ATOM 0 HD1 TYR A 493 -13.773 -11.531 0.148 1.00 0.00 H new ATOM 0 HD2 TYR A 493 -14.357 -7.403 -0.730 1.00 0.00 H new ATOM 0 HE1 TYR A 493 -11.667 -11.503 -1.113 1.00 0.00 H new ATOM 0 HE2 TYR A 493 -12.254 -7.372 -1.995 1.00 0.00 H new ATOM 0 HH TYR A 493 -10.503 -8.520 -2.698 1.00 0.00 H new ATOM 1088 N ALA A 494 -12.973 -9.608 2.455 1.00 0.00 N ATOM 1089 CA ALA A 494 -11.802 -10.331 2.934 1.00 0.00 C ATOM 1090 C ALA A 494 -12.011 -10.832 4.359 1.00 0.00 C ATOM 1091 O ALA A 494 -12.163 -10.041 5.288 1.00 0.00 O ATOM 1092 CB ALA A 494 -10.567 -9.445 2.860 1.00 0.00 C ATOM 0 H ALA A 494 -12.762 -8.724 1.991 1.00 0.00 H new ATOM 0 HA ALA A 494 -11.653 -11.198 2.290 1.00 0.00 H new ATOM 0 HB1 ALA A 494 -9.700 -9.998 3.221 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -10.399 -9.141 1.827 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -10.716 -8.560 3.479 1.00 0.00 H new ATOM 1098 N GLU A 495 -12.018 -12.152 4.522 1.00 0.00 N ATOM 1099 CA GLU A 495 -12.211 -12.757 5.835 1.00 0.00 C ATOM 1100 C GLU A 495 -10.869 -13.090 6.482 1.00 0.00 C ATOM 1101 O GLU A 495 -10.768 -13.200 7.704 1.00 0.00 O ATOM 1102 CB GLU A 495 -13.061 -14.024 5.717 1.00 0.00 C ATOM 1103 CG GLU A 495 -12.489 -15.054 4.758 1.00 0.00 C ATOM 1104 CD GLU A 495 -13.089 -16.432 4.956 1.00 0.00 C ATOM 1105 OE1 GLU A 495 -12.623 -17.158 5.859 1.00 0.00 O ATOM 1106 OE2 GLU A 495 -14.025 -16.785 4.208 1.00 0.00 O ATOM 0 H GLU A 495 -11.892 -12.821 3.763 1.00 0.00 H new ATOM 0 HA GLU A 495 -12.731 -12.037 6.467 1.00 0.00 H new ATOM 0 HB2 GLU A 495 -13.163 -14.476 6.704 1.00 0.00 H new ATOM 0 HB3 GLU A 495 -14.063 -13.750 5.387 1.00 0.00 H new ATOM 0 HG2 GLU A 495 -12.666 -14.728 3.733 1.00 0.00 H new ATOM 0 HG3 GLU A 495 -11.409 -15.109 4.892 1.00 0.00 H new ATOM 1113 N SER A 496 -9.842 -13.249 5.654 1.00 0.00 N ATOM 1114 CA SER A 496 -8.508 -13.574 6.144 1.00 0.00 C ATOM 1115 C SER A 496 -7.920 -12.407 6.933 1.00 0.00 C ATOM 1116 O SER A 496 -7.312 -12.599 7.985 1.00 0.00 O ATOM 1117 CB SER A 496 -7.586 -13.931 4.977 1.00 0.00 C ATOM 1118 OG SER A 496 -6.363 -14.477 5.441 1.00 0.00 O ATOM 0 H SER A 496 -9.908 -13.158 4.640 1.00 0.00 H new ATOM 0 HA SER A 496 -8.591 -14.434 6.808 1.00 0.00 H new ATOM 0 HB2 SER A 496 -8.083 -14.648 4.323 1.00 0.00 H new ATOM 0 HB3 SER A 496 -7.387 -13.040 4.381 1.00 0.00 H new ATOM 0 HG SER A 496 -5.792 -14.698 4.676 1.00 0.00 H new ATOM 1124 N TYR A 497 -8.107 -11.198 6.416 1.00 0.00 N ATOM 1125 CA TYR A 497 -7.594 -10.000 7.069 1.00 0.00 C ATOM 1126 C TYR A 497 -8.710 -8.985 7.299 1.00 0.00 C ATOM 1127 O TYR A 497 -9.723 -8.990 6.599 1.00 0.00 O ATOM 1128 CB TYR A 497 -6.483 -9.371 6.227 1.00 0.00 C ATOM 1129 CG TYR A 497 -6.956 -8.855 4.887 1.00 0.00 C ATOM 1130 CD1 TYR A 497 -7.692 -7.679 4.794 1.00 0.00 C ATOM 1131 CD2 TYR A 497 -6.670 -9.543 3.715 1.00 0.00 C ATOM 1132 CE1 TYR A 497 -8.127 -7.204 3.572 1.00 0.00 C ATOM 1133 CE2 TYR A 497 -7.100 -9.074 2.488 1.00 0.00 C ATOM 1134 CZ TYR A 497 -7.828 -7.905 2.422 1.00 0.00 C ATOM 1135 OH TYR A 497 -8.260 -7.436 1.203 1.00 0.00 O ATOM 0 H TYR A 497 -8.610 -11.022 5.546 1.00 0.00 H new ATOM 0 HA TYR A 497 -7.186 -10.291 8.037 1.00 0.00 H new ATOM 0 HB2 TYR A 497 -6.036 -8.549 6.786 1.00 0.00 H new ATOM 0 HB3 TYR A 497 -5.698 -10.110 6.066 1.00 0.00 H new ATOM 0 HD1 TYR A 497 -7.928 -7.128 5.692 1.00 0.00 H new ATOM 0 HD2 TYR A 497 -6.102 -10.460 3.763 1.00 0.00 H new ATOM 0 HE1 TYR A 497 -8.698 -6.289 3.517 1.00 0.00 H new ATOM 0 HE2 TYR A 497 -6.867 -9.620 1.586 1.00 0.00 H new ATOM 0 HH TYR A 497 -7.965 -8.046 0.495 1.00 0.00 H new ATOM 1145 N ARG A 498 -8.515 -8.115 8.285 1.00 0.00 N ATOM 1146 CA ARG A 498 -9.504 -7.093 8.609 1.00 0.00 C ATOM 1147 C ARG A 498 -8.880 -5.702 8.573 1.00 0.00 C ATOM 1148 O ARG A 498 -7.840 -5.461 9.187 1.00 0.00 O ATOM 1149 CB ARG A 498 -10.108 -7.358 9.989 1.00 0.00 C ATOM 1150 CG ARG A 498 -11.298 -6.469 10.314 1.00 0.00 C ATOM 1151 CD ARG A 498 -11.821 -6.730 11.717 1.00 0.00 C ATOM 1152 NE ARG A 498 -10.903 -6.243 12.743 1.00 0.00 N ATOM 1153 CZ ARG A 498 -10.920 -6.662 14.004 1.00 0.00 C ATOM 1154 NH1 ARG A 498 -11.803 -7.571 14.391 1.00 0.00 N ATOM 1155 NH2 ARG A 498 -10.052 -6.171 14.879 1.00 0.00 N ATOM 0 H ARG A 498 -7.682 -8.097 8.873 1.00 0.00 H new ATOM 0 HA ARG A 498 -10.294 -7.137 7.860 1.00 0.00 H new ATOM 0 HB2 ARG A 498 -10.418 -8.401 10.046 1.00 0.00 H new ATOM 0 HB3 ARG A 498 -9.339 -7.212 10.747 1.00 0.00 H new ATOM 0 HG2 ARG A 498 -11.008 -5.422 10.222 1.00 0.00 H new ATOM 0 HG3 ARG A 498 -12.093 -6.644 9.590 1.00 0.00 H new ATOM 0 HD2 ARG A 498 -12.790 -6.246 11.838 1.00 0.00 H new ATOM 0 HD3 ARG A 498 -11.980 -7.800 11.851 1.00 0.00 H new ATOM 0 HE ARG A 498 -10.211 -5.543 12.477 1.00 0.00 H new ATOM 0 HH11 ARG A 498 -12.471 -7.951 13.721 1.00 0.00 H new ATOM 0 HH12 ARG A 498 -11.814 -7.891 15.359 1.00 0.00 H new ATOM 0 HH21 ARG A 498 -9.371 -5.471 14.584 1.00 0.00 H new ATOM 0 HH22 ARG A 498 -10.066 -6.493 15.847 1.00 0.00 H new ATOM 1169 N ILE A 499 -9.520 -4.790 7.848 1.00 0.00 N ATOM 1170 CA ILE A 499 -9.028 -3.423 7.733 1.00 0.00 C ATOM 1171 C ILE A 499 -10.110 -2.416 8.107 1.00 0.00 C ATOM 1172 O ILE A 499 -11.270 -2.566 7.723 1.00 0.00 O ATOM 1173 CB ILE A 499 -8.532 -3.122 6.306 1.00 0.00 C ATOM 1174 CG1 ILE A 499 -7.459 -4.131 5.892 1.00 0.00 C ATOM 1175 CG2 ILE A 499 -7.993 -1.702 6.222 1.00 0.00 C ATOM 1176 CD1 ILE A 499 -7.006 -3.976 4.457 1.00 0.00 C ATOM 0 H ILE A 499 -10.380 -4.974 7.332 1.00 0.00 H new ATOM 0 HA ILE A 499 -8.193 -3.328 8.427 1.00 0.00 H new ATOM 0 HB ILE A 499 -9.373 -3.212 5.618 1.00 0.00 H new ATOM 0 HG12 ILE A 499 -6.597 -4.023 6.550 1.00 0.00 H new ATOM 0 HG13 ILE A 499 -7.846 -5.140 6.036 1.00 0.00 H new ATOM 0 HG21 ILE A 499 -7.646 -1.504 5.208 1.00 0.00 H new ATOM 0 HG22 ILE A 499 -8.783 -0.997 6.479 1.00 0.00 H new ATOM 0 HG23 ILE A 499 -7.163 -1.586 6.918 1.00 0.00 H new ATOM 0 HD11 ILE A 499 -6.245 -4.724 4.233 1.00 0.00 H new ATOM 0 HD12 ILE A 499 -7.857 -4.113 3.790 1.00 0.00 H new ATOM 0 HD13 ILE A 499 -6.589 -2.979 4.313 1.00 0.00 H new ATOM 1188 N GLN A 500 -9.722 -1.389 8.856 1.00 0.00 N ATOM 1189 CA GLN A 500 -10.660 -0.356 9.280 1.00 0.00 C ATOM 1190 C GLN A 500 -9.976 1.006 9.345 1.00 0.00 C ATOM 1191 O GLN A 500 -8.762 1.113 9.171 1.00 0.00 O ATOM 1192 CB GLN A 500 -11.255 -0.707 10.645 1.00 0.00 C ATOM 1193 CG GLN A 500 -10.227 -0.750 11.764 1.00 0.00 C ATOM 1194 CD GLN A 500 -10.845 -1.061 13.113 1.00 0.00 C ATOM 1195 OE1 GLN A 500 -11.981 -0.675 13.392 1.00 0.00 O ATOM 1196 NE2 GLN A 500 -10.099 -1.762 13.959 1.00 0.00 N ATOM 0 H GLN A 500 -8.765 -1.250 9.182 1.00 0.00 H new ATOM 0 HA GLN A 500 -11.463 -0.305 8.544 1.00 0.00 H new ATOM 0 HB2 GLN A 500 -12.023 0.025 10.896 1.00 0.00 H new ATOM 0 HB3 GLN A 500 -11.748 -1.677 10.579 1.00 0.00 H new ATOM 0 HG2 GLN A 500 -9.474 -1.503 11.531 1.00 0.00 H new ATOM 0 HG3 GLN A 500 -9.713 0.210 11.817 1.00 0.00 H new ATOM 0 HE21 GLN A 500 -9.163 -2.061 13.686 1.00 0.00 H new ATOM 0 HE22 GLN A 500 -10.462 -2.001 14.882 1.00 0.00 H new ATOM 1205 N THR A 501 -10.765 2.047 9.596 1.00 0.00 N ATOM 1206 CA THR A 501 -10.236 3.402 9.682 1.00 0.00 C ATOM 1207 C THR A 501 -9.690 3.692 11.076 1.00 0.00 C ATOM 1208 O THR A 501 -10.228 3.215 12.075 1.00 0.00 O ATOM 1209 CB THR A 501 -11.313 4.448 9.338 1.00 0.00 C ATOM 1210 OG1 THR A 501 -12.508 4.185 10.082 1.00 0.00 O ATOM 1211 CG2 THR A 501 -11.625 4.434 7.849 1.00 0.00 C ATOM 0 H THR A 501 -11.772 1.977 9.743 1.00 0.00 H new ATOM 0 HA THR A 501 -9.426 3.472 8.956 1.00 0.00 H new ATOM 0 HB THR A 501 -10.929 5.433 9.604 1.00 0.00 H new ATOM 0 HG1 THR A 501 -13.187 4.856 9.859 1.00 0.00 H new ATOM 0 HG21 THR A 501 -12.388 5.181 7.630 1.00 0.00 H new ATOM 0 HG22 THR A 501 -10.721 4.663 7.286 1.00 0.00 H new ATOM 0 HG23 THR A 501 -11.990 3.448 7.563 1.00 0.00 H new ATOM 1219 N TYR A 502 -8.620 4.476 11.135 1.00 0.00 N ATOM 1220 CA TYR A 502 -8.000 4.828 12.407 1.00 0.00 C ATOM 1221 C TYR A 502 -9.049 5.282 13.417 1.00 0.00 C ATOM 1222 O TYR A 502 -9.106 4.779 14.539 1.00 0.00 O ATOM 1223 CB TYR A 502 -6.960 5.932 12.204 1.00 0.00 C ATOM 1224 CG TYR A 502 -6.194 6.280 13.460 1.00 0.00 C ATOM 1225 CD1 TYR A 502 -5.070 5.554 13.835 1.00 0.00 C ATOM 1226 CD2 TYR A 502 -6.593 7.334 14.271 1.00 0.00 C ATOM 1227 CE1 TYR A 502 -4.366 5.868 14.981 1.00 0.00 C ATOM 1228 CE2 TYR A 502 -5.894 7.656 15.419 1.00 0.00 C ATOM 1229 CZ TYR A 502 -4.782 6.920 15.770 1.00 0.00 C ATOM 1230 OH TYR A 502 -4.085 7.237 16.913 1.00 0.00 O ATOM 0 H TYR A 502 -8.164 4.880 10.317 1.00 0.00 H new ATOM 0 HA TYR A 502 -7.505 3.939 12.799 1.00 0.00 H new ATOM 0 HB2 TYR A 502 -6.255 5.619 11.434 1.00 0.00 H new ATOM 0 HB3 TYR A 502 -7.460 6.827 11.834 1.00 0.00 H new ATOM 0 HD1 TYR A 502 -4.741 4.730 13.219 1.00 0.00 H new ATOM 0 HD2 TYR A 502 -7.464 7.912 14.000 1.00 0.00 H new ATOM 0 HE1 TYR A 502 -3.495 5.293 15.258 1.00 0.00 H new ATOM 0 HE2 TYR A 502 -6.217 8.480 16.038 1.00 0.00 H new ATOM 0 HH TYR A 502 -4.509 8.003 17.353 1.00 0.00 H new ATOM 1240 N ALA A 503 -9.878 6.238 13.010 1.00 0.00 N ATOM 1241 CA ALA A 503 -10.928 6.759 13.878 1.00 0.00 C ATOM 1242 C ALA A 503 -11.783 5.631 14.443 1.00 0.00 C ATOM 1243 O ALA A 503 -12.240 5.699 15.584 1.00 0.00 O ATOM 1244 CB ALA A 503 -11.795 7.753 13.118 1.00 0.00 C ATOM 0 H ALA A 503 -9.843 6.667 12.085 1.00 0.00 H new ATOM 0 HA ALA A 503 -10.453 7.273 14.714 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -12.575 8.134 13.777 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -11.178 8.581 12.769 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -12.254 7.256 12.263 1.00 0.00 H new ATOM 1250 N GLU A 504 -11.997 4.596 13.637 1.00 0.00 N ATOM 1251 CA GLU A 504 -12.800 3.454 14.058 1.00 0.00 C ATOM 1252 C GLU A 504 -12.054 2.615 15.091 1.00 0.00 C ATOM 1253 O GLU A 504 -12.656 2.065 16.013 1.00 0.00 O ATOM 1254 CB GLU A 504 -13.168 2.588 12.851 1.00 0.00 C ATOM 1255 CG GLU A 504 -14.421 3.052 12.128 1.00 0.00 C ATOM 1256 CD GLU A 504 -15.685 2.793 12.925 1.00 0.00 C ATOM 1257 OE1 GLU A 504 -15.857 3.425 13.988 1.00 0.00 O ATOM 1258 OE2 GLU A 504 -16.502 1.957 12.485 1.00 0.00 O ATOM 0 H GLU A 504 -11.626 4.525 12.690 1.00 0.00 H new ATOM 0 HA GLU A 504 -13.713 3.834 14.515 1.00 0.00 H new ATOM 0 HB2 GLU A 504 -12.334 2.585 12.149 1.00 0.00 H new ATOM 0 HB3 GLU A 504 -13.310 1.559 13.182 1.00 0.00 H new ATOM 0 HG2 GLU A 504 -14.341 4.119 11.918 1.00 0.00 H new ATOM 0 HG3 GLU A 504 -14.491 2.542 11.167 1.00 0.00 H new ATOM 1265 N TYR A 505 -10.738 2.522 14.930 1.00 0.00 N ATOM 1266 CA TYR A 505 -9.909 1.748 15.846 1.00 0.00 C ATOM 1267 C TYR A 505 -9.777 2.455 17.191 1.00 0.00 C ATOM 1268 O TYR A 505 -9.812 1.821 18.246 1.00 0.00 O ATOM 1269 CB TYR A 505 -8.523 1.517 15.241 1.00 0.00 C ATOM 1270 CG TYR A 505 -7.488 1.075 16.250 1.00 0.00 C ATOM 1271 CD1 TYR A 505 -7.458 -0.233 16.717 1.00 0.00 C ATOM 1272 CD2 TYR A 505 -6.538 1.966 16.735 1.00 0.00 C ATOM 1273 CE1 TYR A 505 -6.514 -0.640 17.640 1.00 0.00 C ATOM 1274 CE2 TYR A 505 -5.590 1.567 17.657 1.00 0.00 C ATOM 1275 CZ TYR A 505 -5.582 0.263 18.107 1.00 0.00 C ATOM 1276 OH TYR A 505 -4.639 -0.139 19.025 1.00 0.00 O ATOM 0 H TYR A 505 -10.223 2.973 14.174 1.00 0.00 H new ATOM 0 HA TYR A 505 -10.393 0.785 16.008 1.00 0.00 H new ATOM 0 HB2 TYR A 505 -8.599 0.763 14.457 1.00 0.00 H new ATOM 0 HB3 TYR A 505 -8.185 2.438 14.766 1.00 0.00 H new ATOM 0 HD1 TYR A 505 -8.185 -0.944 16.352 1.00 0.00 H new ATOM 0 HD2 TYR A 505 -6.541 2.988 16.385 1.00 0.00 H new ATOM 0 HE1 TYR A 505 -6.506 -1.660 17.994 1.00 0.00 H new ATOM 0 HE2 TYR A 505 -4.859 2.272 18.024 1.00 0.00 H new ATOM 0 HH TYR A 505 -4.058 0.617 19.249 1.00 0.00 H new ATOM 1286 N VAL A 506 -9.625 3.775 17.146 1.00 0.00 N ATOM 1287 CA VAL A 506 -9.490 4.571 18.360 1.00 0.00 C ATOM 1288 C VAL A 506 -10.845 4.809 19.016 1.00 0.00 C ATOM 1289 O VAL A 506 -10.947 4.903 20.238 1.00 0.00 O ATOM 1290 CB VAL A 506 -8.827 5.931 18.069 1.00 0.00 C ATOM 1291 CG1 VAL A 506 -7.429 5.734 17.504 1.00 0.00 C ATOM 1292 CG2 VAL A 506 -9.686 6.748 17.115 1.00 0.00 C ATOM 0 H VAL A 506 -9.592 4.316 16.282 1.00 0.00 H new ATOM 0 HA VAL A 506 -8.855 4.004 19.041 1.00 0.00 H new ATOM 0 HB VAL A 506 -8.740 6.481 19.006 1.00 0.00 H new ATOM 0 HG11 VAL A 506 -6.977 6.706 17.305 1.00 0.00 H new ATOM 0 HG12 VAL A 506 -6.818 5.191 18.225 1.00 0.00 H new ATOM 0 HG13 VAL A 506 -7.488 5.164 16.577 1.00 0.00 H new ATOM 0 HG21 VAL A 506 -9.203 7.706 16.920 1.00 0.00 H new ATOM 0 HG22 VAL A 506 -9.806 6.205 16.178 1.00 0.00 H new ATOM 0 HG23 VAL A 506 -10.665 6.920 17.563 1.00 0.00 H new