USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=23 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 442 HIS : no HD1:sc= -11.8! C(o=-12!,f=-15!) USER MOD Set 1.2: A 473 SER OG : rot 44:sc= 0.134 USER MOD Set 2.1: A 439 HIS :FLIP no HD1:sc= -0.61 F(o=-1.6,f=-0.61) USER MOD Set 2.2: A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 444 THR OG1 : rot 180:sc= 0.00411 USER MOD Single : A 447 LYS NZ :NH3+ 163:sc= -0.0354 (180deg=-0.283) USER MOD Single : A 450 LYS NZ :NH3+ -140:sc= -1.57! (180deg=-3.84!) USER MOD Single : A 451 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 452 SER OG : rot 180:sc= 0 USER MOD Single : A 455 TYR OH : rot 180:sc= 0 USER MOD Single : A 456 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 463 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 465 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.048) USER MOD Single : A 467 SER OG : rot 180:sc= 0 USER MOD Single : A 472 THR OG1 : rot 180:sc= 0 USER MOD Single : A 479 SER OG : rot 180:sc= 0 USER MOD Single : A 480 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 483 GLN :FLIP amide:sc= -0.427 F(o=-1.5!,f=-0.43) USER MOD Single : A 485 GLN :FLIP amide:sc= -0.6 F(o=-1.4!,f=-0.6) USER MOD Single : A 489 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 490 THR OG1 : rot -19:sc= 0.392 USER MOD Single : A 491 SER OG : rot -29:sc= 0.996 USER MOD Single : A 492 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.0181 X(o=-0.018,f=0) USER MOD Single : A 501 THR OG1 : rot 180:sc= -0.91 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 -6.079 8.806 6.355 1.00 0.00 N ATOM 208 CA HIS A 439 -5.101 8.082 5.551 1.00 0.00 C ATOM 209 C HIS A 439 -4.641 6.815 6.266 1.00 0.00 C ATOM 210 O HIS A 439 -4.355 5.800 5.631 1.00 0.00 O ATOM 211 CB HIS A 439 -3.898 8.975 5.246 1.00 0.00 C ATOM 212 CG HIS A 439 -3.488 9.840 6.398 1.00 0.00 C ATOM 213 ND1 HIS A 439 -2.691 9.579 7.461 1.00 0.00 N flip ATOM 214 CD2 HIS A 439 -3.908 11.145 6.546 1.00 0.00 C flip ATOM 215 CE1 HIS A 439 -2.644 10.720 8.223 1.00 0.00 C flip ATOM 216 NE2 HIS A 439 -3.386 11.650 7.649 1.00 0.00 N flip ATOM 0 HA HIS A 439 -5.578 7.796 4.614 1.00 0.00 H new ATOM 0 HB2 HIS A 439 -3.055 8.348 4.955 1.00 0.00 H new ATOM 0 HB3 HIS A 439 -4.134 9.609 4.392 1.00 0.00 H new ATOM 0 HD2 HIS A 439 -4.562 11.672 5.866 1.00 0.00 H new ATOM 0 HE1 HIS A 439 -2.090 10.838 9.143 1.00 0.00 H new ATOM 0 HE2 HIS A 439 -3.531 12.597 7.998 1.00 0.00 H new ATOM 225 N VAL A 440 -4.573 6.882 7.592 1.00 0.00 N ATOM 226 CA VAL A 440 -4.148 5.740 8.394 1.00 0.00 C ATOM 227 C VAL A 440 -5.190 4.628 8.361 1.00 0.00 C ATOM 228 O VAL A 440 -6.393 4.889 8.324 1.00 0.00 O ATOM 229 CB VAL A 440 -3.892 6.147 9.857 1.00 0.00 C ATOM 230 CG1 VAL A 440 -3.557 4.925 10.700 1.00 0.00 C ATOM 231 CG2 VAL A 440 -2.779 7.180 9.936 1.00 0.00 C ATOM 0 H VAL A 440 -4.807 7.714 8.133 1.00 0.00 H new ATOM 0 HA VAL A 440 -3.218 5.375 7.959 1.00 0.00 H new ATOM 0 HB VAL A 440 -4.802 6.596 10.255 1.00 0.00 H new ATOM 0 HG11 VAL A 440 -3.379 5.232 11.731 1.00 0.00 H new ATOM 0 HG12 VAL A 440 -4.390 4.222 10.669 1.00 0.00 H new ATOM 0 HG13 VAL A 440 -2.662 4.445 10.305 1.00 0.00 H new ATOM 0 HG21 VAL A 440 -2.612 7.456 10.977 1.00 0.00 H new ATOM 0 HG22 VAL A 440 -1.863 6.760 9.520 1.00 0.00 H new ATOM 0 HG23 VAL A 440 -3.063 8.065 9.367 1.00 0.00 H new ATOM 241 N LEU A 441 -4.721 3.385 8.377 1.00 0.00 N ATOM 242 CA LEU A 441 -5.612 2.230 8.350 1.00 0.00 C ATOM 243 C LEU A 441 -5.150 1.163 9.336 1.00 0.00 C ATOM 244 O LEU A 441 -4.007 0.707 9.283 1.00 0.00 O ATOM 245 CB LEU A 441 -5.676 1.644 6.939 1.00 0.00 C ATOM 246 CG LEU A 441 -5.876 2.648 5.803 1.00 0.00 C ATOM 247 CD1 LEU A 441 -5.449 2.043 4.474 1.00 0.00 C ATOM 248 CD2 LEU A 441 -7.327 3.102 5.742 1.00 0.00 C ATOM 0 H LEU A 441 -3.729 3.151 8.409 1.00 0.00 H new ATOM 0 HA LEU A 441 -6.607 2.563 8.644 1.00 0.00 H new ATOM 0 HB2 LEU A 441 -4.753 1.095 6.753 1.00 0.00 H new ATOM 0 HB3 LEU A 441 -6.490 0.920 6.905 1.00 0.00 H new ATOM 0 HG LEU A 441 -5.251 3.519 6.000 1.00 0.00 H new ATOM 0 HD11 LEU A 441 -5.599 2.772 3.678 1.00 0.00 H new ATOM 0 HD12 LEU A 441 -4.395 1.768 4.521 1.00 0.00 H new ATOM 0 HD13 LEU A 441 -6.047 1.155 4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 441 -7.451 3.816 4.928 1.00 0.00 H new ATOM 0 HD22 LEU A 441 -7.971 2.240 5.569 1.00 0.00 H new ATOM 0 HD23 LEU A 441 -7.600 3.576 6.685 1.00 0.00 H new ATOM 260 N HIS A 442 -6.046 0.766 10.234 1.00 0.00 N ATOM 261 CA HIS A 442 -5.731 -0.251 11.231 1.00 0.00 C ATOM 262 C HIS A 442 -6.098 -1.642 10.724 1.00 0.00 C ATOM 263 O HIS A 442 -7.275 -1.986 10.624 1.00 0.00 O ATOM 264 CB HIS A 442 -6.470 0.040 12.538 1.00 0.00 C ATOM 265 CG HIS A 442 -6.022 -0.816 13.683 1.00 0.00 C ATOM 266 ND1 HIS A 442 -6.581 -2.044 13.968 1.00 0.00 N ATOM 267 CD2 HIS A 442 -5.061 -0.616 14.615 1.00 0.00 C ATOM 268 CE1 HIS A 442 -5.985 -2.561 15.027 1.00 0.00 C ATOM 269 NE2 HIS A 442 -5.058 -1.715 15.439 1.00 0.00 N ATOM 0 H HIS A 442 -6.996 1.133 10.292 1.00 0.00 H new ATOM 0 HA HIS A 442 -4.657 -0.223 11.415 1.00 0.00 H new ATOM 0 HB2 HIS A 442 -6.327 1.088 12.801 1.00 0.00 H new ATOM 0 HB3 HIS A 442 -7.539 -0.107 12.382 1.00 0.00 H new ATOM 0 HD2 HIS A 442 -4.417 0.247 14.696 1.00 0.00 H new ATOM 0 HE1 HIS A 442 -6.216 -3.514 15.479 1.00 0.00 H new ATOM 0 HE2 HIS A 442 -4.441 -1.855 16.239 1.00 0.00 H new ATOM 278 N VAL A 443 -5.082 -2.437 10.403 1.00 0.00 N ATOM 279 CA VAL A 443 -5.298 -3.790 9.905 1.00 0.00 C ATOM 280 C VAL A 443 -4.824 -4.829 10.916 1.00 0.00 C ATOM 281 O VAL A 443 -3.674 -4.803 11.357 1.00 0.00 O ATOM 282 CB VAL A 443 -4.568 -4.020 8.569 1.00 0.00 C ATOM 283 CG1 VAL A 443 -4.880 -5.404 8.021 1.00 0.00 C ATOM 284 CG2 VAL A 443 -4.947 -2.942 7.563 1.00 0.00 C ATOM 0 H VAL A 443 -4.101 -2.167 10.479 1.00 0.00 H new ATOM 0 HA VAL A 443 -6.371 -3.902 9.748 1.00 0.00 H new ATOM 0 HB VAL A 443 -3.494 -3.959 8.746 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -4.355 -5.548 7.077 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -4.555 -6.160 8.736 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -5.954 -5.497 7.857 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -4.422 -3.120 6.624 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -6.023 -2.969 7.388 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -4.668 -1.964 7.955 1.00 0.00 H new ATOM 294 N THR A 444 -5.717 -5.744 11.279 1.00 0.00 N ATOM 295 CA THR A 444 -5.391 -6.792 12.237 1.00 0.00 C ATOM 296 C THR A 444 -5.211 -8.137 11.542 1.00 0.00 C ATOM 297 O THR A 444 -6.181 -8.751 11.096 1.00 0.00 O ATOM 298 CB THR A 444 -6.483 -6.927 13.315 1.00 0.00 C ATOM 299 OG1 THR A 444 -7.779 -6.805 12.718 1.00 0.00 O ATOM 300 CG2 THR A 444 -6.314 -5.865 14.392 1.00 0.00 C ATOM 0 H THR A 444 -6.672 -5.780 10.923 1.00 0.00 H new ATOM 0 HA THR A 444 -4.454 -6.504 12.713 1.00 0.00 H new ATOM 0 HB THR A 444 -6.387 -7.910 13.777 1.00 0.00 H new ATOM 0 HG1 THR A 444 -8.467 -6.894 13.410 1.00 0.00 H new ATOM 0 HG21 THR A 444 -7.096 -5.980 15.142 1.00 0.00 H new ATOM 0 HG22 THR A 444 -5.338 -5.978 14.865 1.00 0.00 H new ATOM 0 HG23 THR A 444 -6.386 -4.875 13.941 1.00 0.00 H new ATOM 308 N PHE A 445 -3.965 -8.590 11.453 1.00 0.00 N ATOM 309 CA PHE A 445 -3.658 -9.863 10.811 1.00 0.00 C ATOM 310 C PHE A 445 -2.952 -10.805 11.782 1.00 0.00 C ATOM 311 O PHE A 445 -2.355 -10.383 12.773 1.00 0.00 O ATOM 312 CB PHE A 445 -2.785 -9.637 9.575 1.00 0.00 C ATOM 313 CG PHE A 445 -1.748 -8.567 9.761 1.00 0.00 C ATOM 314 CD1 PHE A 445 -0.498 -8.877 10.274 1.00 0.00 C ATOM 315 CD2 PHE A 445 -2.021 -7.252 9.422 1.00 0.00 C ATOM 316 CE1 PHE A 445 0.458 -7.894 10.447 1.00 0.00 C ATOM 317 CE2 PHE A 445 -1.069 -6.265 9.592 1.00 0.00 C ATOM 318 CZ PHE A 445 0.172 -6.586 10.104 1.00 0.00 C ATOM 0 H PHE A 445 -3.151 -8.095 11.817 1.00 0.00 H new ATOM 0 HA PHE A 445 -4.597 -10.323 10.504 1.00 0.00 H new ATOM 0 HB2 PHE A 445 -2.288 -10.572 9.315 1.00 0.00 H new ATOM 0 HB3 PHE A 445 -3.424 -9.370 8.733 1.00 0.00 H new ATOM 0 HD1 PHE A 445 -0.269 -9.898 10.541 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -2.990 -6.995 9.020 1.00 0.00 H new ATOM 0 HE1 PHE A 445 1.427 -8.148 10.850 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -1.296 -5.243 9.325 1.00 0.00 H new ATOM 0 HZ PHE A 445 0.918 -5.816 10.236 1.00 0.00 H new ATOM 328 N PRO A 446 -3.020 -12.112 11.492 1.00 0.00 N ATOM 329 CA PRO A 446 -2.394 -13.142 12.326 1.00 0.00 C ATOM 330 C PRO A 446 -0.871 -13.105 12.247 1.00 0.00 C ATOM 331 O PRO A 446 -0.300 -12.802 11.199 1.00 0.00 O ATOM 332 CB PRO A 446 -2.927 -14.450 11.736 1.00 0.00 C ATOM 333 CG PRO A 446 -3.259 -14.120 10.321 1.00 0.00 C ATOM 334 CD PRO A 446 -3.714 -12.686 10.327 1.00 0.00 C ATOM 0 HA PRO A 446 -2.628 -13.008 13.382 1.00 0.00 H new ATOM 0 HB2 PRO A 446 -2.181 -15.243 11.793 1.00 0.00 H new ATOM 0 HB3 PRO A 446 -3.806 -14.799 12.278 1.00 0.00 H new ATOM 0 HG2 PRO A 446 -2.391 -14.251 9.675 1.00 0.00 H new ATOM 0 HG3 PRO A 446 -4.042 -14.776 9.940 1.00 0.00 H new ATOM 0 HD2 PRO A 446 -3.441 -12.174 9.404 1.00 0.00 H new ATOM 0 HD3 PRO A 446 -4.797 -12.608 10.426 1.00 0.00 H new ATOM 342 N LYS A 447 -0.218 -13.414 13.362 1.00 0.00 N ATOM 343 CA LYS A 447 1.238 -13.418 13.420 1.00 0.00 C ATOM 344 C LYS A 447 1.830 -14.116 12.200 1.00 0.00 C ATOM 345 O LYS A 447 2.800 -13.640 11.612 1.00 0.00 O ATOM 346 CB LYS A 447 1.717 -14.110 14.699 1.00 0.00 C ATOM 347 CG LYS A 447 1.483 -15.611 14.702 1.00 0.00 C ATOM 348 CD LYS A 447 1.763 -16.216 16.067 1.00 0.00 C ATOM 349 CE LYS A 447 1.785 -17.736 16.009 1.00 0.00 C ATOM 350 NZ LYS A 447 2.953 -18.244 15.238 1.00 0.00 N ATOM 0 H LYS A 447 -0.675 -13.665 14.239 1.00 0.00 H new ATOM 0 HA LYS A 447 1.578 -12.383 13.425 1.00 0.00 H new ATOM 0 HB2 LYS A 447 2.782 -13.916 14.830 1.00 0.00 H new ATOM 0 HB3 LYS A 447 1.205 -13.669 15.554 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.453 -15.820 14.415 1.00 0.00 H new ATOM 0 HG3 LYS A 447 2.124 -16.082 13.956 1.00 0.00 H new ATOM 0 HD2 LYS A 447 2.721 -15.851 16.438 1.00 0.00 H new ATOM 0 HD3 LYS A 447 1.001 -15.889 16.774 1.00 0.00 H new ATOM 0 HE2 LYS A 447 1.816 -18.138 17.022 1.00 0.00 H new ATOM 0 HE3 LYS A 447 0.863 -18.095 15.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 3.101 -19.250 15.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 2.772 -18.132 14.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 3.803 -17.705 15.500 1.00 0.00 H new ATOM 364 N GLU A 448 1.238 -15.245 11.825 1.00 0.00 N ATOM 365 CA GLU A 448 1.707 -16.007 10.674 1.00 0.00 C ATOM 366 C GLU A 448 2.136 -15.076 9.543 1.00 0.00 C ATOM 367 O GLU A 448 3.049 -15.389 8.780 1.00 0.00 O ATOM 368 CB GLU A 448 0.612 -16.955 10.181 1.00 0.00 C ATOM 369 CG GLU A 448 -0.519 -16.252 9.450 1.00 0.00 C ATOM 370 CD GLU A 448 -1.793 -17.073 9.417 1.00 0.00 C ATOM 371 OE1 GLU A 448 -1.796 -18.185 9.986 1.00 0.00 O ATOM 372 OE2 GLU A 448 -2.787 -16.605 8.824 1.00 0.00 O ATOM 0 H GLU A 448 0.433 -15.652 12.301 1.00 0.00 H new ATOM 0 HA GLU A 448 2.571 -16.593 10.987 1.00 0.00 H new ATOM 0 HB2 GLU A 448 1.057 -17.696 9.517 1.00 0.00 H new ATOM 0 HB3 GLU A 448 0.201 -17.496 11.033 1.00 0.00 H new ATOM 0 HG2 GLU A 448 -0.720 -15.296 9.934 1.00 0.00 H new ATOM 0 HG3 GLU A 448 -0.206 -16.033 8.429 1.00 0.00 H new ATOM 379 N TRP A 449 1.469 -13.932 9.443 1.00 0.00 N ATOM 380 CA TRP A 449 1.780 -12.955 8.405 1.00 0.00 C ATOM 381 C TRP A 449 3.210 -12.447 8.547 1.00 0.00 C ATOM 382 O TRP A 449 3.944 -12.869 9.441 1.00 0.00 O ATOM 383 CB TRP A 449 0.800 -11.782 8.470 1.00 0.00 C ATOM 384 CG TRP A 449 -0.520 -12.074 7.822 1.00 0.00 C ATOM 385 CD1 TRP A 449 -1.190 -13.264 7.829 1.00 0.00 C ATOM 386 CD2 TRP A 449 -1.327 -11.161 7.071 1.00 0.00 C ATOM 387 NE1 TRP A 449 -2.366 -13.145 7.127 1.00 0.00 N ATOM 388 CE2 TRP A 449 -2.473 -11.864 6.653 1.00 0.00 C ATOM 389 CE3 TRP A 449 -1.194 -9.817 6.714 1.00 0.00 C ATOM 390 CZ2 TRP A 449 -3.477 -11.267 5.895 1.00 0.00 C ATOM 391 CZ3 TRP A 449 -2.191 -9.226 5.961 1.00 0.00 C ATOM 392 CH2 TRP A 449 -3.321 -9.950 5.559 1.00 0.00 C ATOM 0 H TRP A 449 0.710 -13.658 10.067 1.00 0.00 H new ATOM 0 HA TRP A 449 1.683 -13.447 7.437 1.00 0.00 H new ATOM 0 HB2 TRP A 449 0.633 -11.515 9.513 1.00 0.00 H new ATOM 0 HB3 TRP A 449 1.250 -10.915 7.987 1.00 0.00 H new ATOM 0 HD1 TRP A 449 -0.847 -14.166 8.314 1.00 0.00 H new ATOM 0 HE1 TRP A 449 -3.048 -13.889 6.983 1.00 0.00 H new ATOM 0 HE3 TRP A 449 -0.328 -9.250 7.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 449 -4.348 -11.824 5.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 449 -2.097 -8.188 5.678 1.00 0.00 H new ATOM 0 HH2 TRP A 449 -4.084 -9.459 4.973 1.00 0.00 H new ATOM 403 N LYS A 450 3.601 -11.538 7.660 1.00 0.00 N ATOM 404 CA LYS A 450 4.944 -10.970 7.687 1.00 0.00 C ATOM 405 C LYS A 450 5.011 -9.693 6.856 1.00 0.00 C ATOM 406 O LYS A 450 4.089 -9.380 6.103 1.00 0.00 O ATOM 407 CB LYS A 450 5.961 -11.987 7.162 1.00 0.00 C ATOM 408 CG LYS A 450 6.330 -13.056 8.176 1.00 0.00 C ATOM 409 CD LYS A 450 7.619 -13.765 7.793 1.00 0.00 C ATOM 410 CE LYS A 450 8.837 -12.901 8.083 1.00 0.00 C ATOM 411 NZ LYS A 450 9.110 -11.939 6.979 1.00 0.00 N ATOM 0 H LYS A 450 3.007 -11.179 6.913 1.00 0.00 H new ATOM 0 HA LYS A 450 5.187 -10.723 8.721 1.00 0.00 H new ATOM 0 HB2 LYS A 450 5.556 -12.467 6.271 1.00 0.00 H new ATOM 0 HB3 LYS A 450 6.865 -11.460 6.857 1.00 0.00 H new ATOM 0 HG2 LYS A 450 6.442 -12.602 9.161 1.00 0.00 H new ATOM 0 HG3 LYS A 450 5.522 -13.783 8.250 1.00 0.00 H new ATOM 0 HD2 LYS A 450 7.697 -14.703 8.343 1.00 0.00 H new ATOM 0 HD3 LYS A 450 7.595 -14.018 6.733 1.00 0.00 H new ATOM 0 HE2 LYS A 450 8.681 -12.353 9.012 1.00 0.00 H new ATOM 0 HE3 LYS A 450 9.708 -13.539 8.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 450 10.136 -11.876 6.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 450 8.643 -12.267 6.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 450 8.742 -11.001 7.237 1.00 0.00 H new ATOM 425 N THR A 451 6.110 -8.958 6.997 1.00 0.00 N ATOM 426 CA THR A 451 6.298 -7.715 6.259 1.00 0.00 C ATOM 427 C THR A 451 6.026 -7.911 4.772 1.00 0.00 C ATOM 428 O THR A 451 5.272 -7.152 4.164 1.00 0.00 O ATOM 429 CB THR A 451 7.726 -7.165 6.440 1.00 0.00 C ATOM 430 OG1 THR A 451 8.079 -7.166 7.827 1.00 0.00 O ATOM 431 CG2 THR A 451 7.836 -5.753 5.885 1.00 0.00 C ATOM 0 H THR A 451 6.883 -9.202 7.616 1.00 0.00 H new ATOM 0 HA THR A 451 5.585 -6.997 6.664 1.00 0.00 H new ATOM 0 HB THR A 451 8.412 -7.809 5.890 1.00 0.00 H new ATOM 0 HG1 THR A 451 8.988 -6.817 7.933 1.00 0.00 H new ATOM 0 HG21 THR A 451 8.853 -5.386 6.024 1.00 0.00 H new ATOM 0 HG22 THR A 451 7.595 -5.760 4.822 1.00 0.00 H new ATOM 0 HG23 THR A 451 7.139 -5.100 6.411 1.00 0.00 H new ATOM 439 N SER A 452 6.644 -8.935 4.193 1.00 0.00 N ATOM 440 CA SER A 452 6.470 -9.230 2.775 1.00 0.00 C ATOM 441 C SER A 452 4.990 -9.261 2.404 1.00 0.00 C ATOM 442 O SER A 452 4.590 -8.750 1.359 1.00 0.00 O ATOM 443 CB SER A 452 7.123 -10.568 2.426 1.00 0.00 C ATOM 444 OG SER A 452 8.509 -10.552 2.723 1.00 0.00 O ATOM 0 H SER A 452 7.270 -9.574 4.683 1.00 0.00 H new ATOM 0 HA SER A 452 6.954 -8.438 2.203 1.00 0.00 H new ATOM 0 HB2 SER A 452 6.638 -11.369 2.983 1.00 0.00 H new ATOM 0 HB3 SER A 452 6.977 -10.782 1.367 1.00 0.00 H new ATOM 0 HG SER A 452 8.903 -11.419 2.493 1.00 0.00 H new ATOM 450 N ASP A 453 4.183 -9.866 3.269 1.00 0.00 N ATOM 451 CA ASP A 453 2.747 -9.964 3.035 1.00 0.00 C ATOM 452 C ASP A 453 2.108 -8.580 2.984 1.00 0.00 C ATOM 453 O ASP A 453 1.347 -8.269 2.067 1.00 0.00 O ATOM 454 CB ASP A 453 2.087 -10.805 4.129 1.00 0.00 C ATOM 455 CG ASP A 453 2.177 -12.292 3.850 1.00 0.00 C ATOM 456 OD1 ASP A 453 3.293 -12.846 3.941 1.00 0.00 O ATOM 457 OD2 ASP A 453 1.132 -12.903 3.540 1.00 0.00 O ATOM 0 H ASP A 453 4.499 -10.296 4.138 1.00 0.00 H new ATOM 0 HA ASP A 453 2.593 -10.450 2.071 1.00 0.00 H new ATOM 0 HB2 ASP A 453 2.562 -10.589 5.086 1.00 0.00 H new ATOM 0 HB3 ASP A 453 1.039 -10.518 4.221 1.00 0.00 H new ATOM 462 N LEU A 454 2.422 -7.753 3.975 1.00 0.00 N ATOM 463 CA LEU A 454 1.879 -6.401 4.045 1.00 0.00 C ATOM 464 C LEU A 454 2.230 -5.607 2.791 1.00 0.00 C ATOM 465 O LEU A 454 1.347 -5.129 2.078 1.00 0.00 O ATOM 466 CB LEU A 454 2.410 -5.680 5.285 1.00 0.00 C ATOM 467 CG LEU A 454 1.691 -5.986 6.599 1.00 0.00 C ATOM 468 CD1 LEU A 454 0.235 -5.554 6.524 1.00 0.00 C ATOM 469 CD2 LEU A 454 1.794 -7.467 6.931 1.00 0.00 C ATOM 0 H LEU A 454 3.050 -7.995 4.741 1.00 0.00 H new ATOM 0 HA LEU A 454 0.794 -6.475 4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 454 3.464 -5.932 5.404 1.00 0.00 H new ATOM 0 HB3 LEU A 454 2.357 -4.606 5.107 1.00 0.00 H new ATOM 0 HG LEU A 454 2.175 -5.421 7.396 1.00 0.00 H new ATOM 0 HD11 LEU A 454 -0.261 -5.780 7.468 1.00 0.00 H new ATOM 0 HD12 LEU A 454 0.183 -4.482 6.334 1.00 0.00 H new ATOM 0 HD13 LEU A 454 -0.262 -6.090 5.716 1.00 0.00 H new ATOM 0 HD21 LEU A 454 1.277 -7.666 7.869 1.00 0.00 H new ATOM 0 HD22 LEU A 454 1.336 -8.051 6.133 1.00 0.00 H new ATOM 0 HD23 LEU A 454 2.843 -7.746 7.029 1.00 0.00 H new ATOM 481 N TYR A 455 3.525 -5.473 2.526 1.00 0.00 N ATOM 482 CA TYR A 455 3.994 -4.737 1.358 1.00 0.00 C ATOM 483 C TYR A 455 3.339 -5.262 0.084 1.00 0.00 C ATOM 484 O TYR A 455 2.622 -4.535 -0.602 1.00 0.00 O ATOM 485 CB TYR A 455 5.516 -4.839 1.242 1.00 0.00 C ATOM 486 CG TYR A 455 6.254 -3.738 1.969 1.00 0.00 C ATOM 487 CD1 TYR A 455 5.902 -2.405 1.794 1.00 0.00 C ATOM 488 CD2 TYR A 455 7.304 -4.030 2.831 1.00 0.00 C ATOM 489 CE1 TYR A 455 6.574 -1.396 2.456 1.00 0.00 C ATOM 490 CE2 TYR A 455 7.981 -3.028 3.498 1.00 0.00 C ATOM 491 CZ TYR A 455 7.612 -1.712 3.307 1.00 0.00 C ATOM 492 OH TYR A 455 8.284 -0.710 3.968 1.00 0.00 O ATOM 0 H TYR A 455 4.268 -5.864 3.104 1.00 0.00 H new ATOM 0 HA TYR A 455 3.715 -3.691 1.483 1.00 0.00 H new ATOM 0 HB2 TYR A 455 5.838 -5.803 1.636 1.00 0.00 H new ATOM 0 HB3 TYR A 455 5.794 -4.817 0.188 1.00 0.00 H new ATOM 0 HD1 TYR A 455 5.089 -2.154 1.129 1.00 0.00 H new ATOM 0 HD2 TYR A 455 7.596 -5.059 2.982 1.00 0.00 H new ATOM 0 HE1 TYR A 455 6.288 -0.365 2.308 1.00 0.00 H new ATOM 0 HE2 TYR A 455 8.794 -3.273 4.165 1.00 0.00 H new ATOM 0 HH TYR A 455 8.986 -1.102 4.529 1.00 0.00 H new ATOM 502 N GLN A 456 3.590 -6.530 -0.223 1.00 0.00 N ATOM 503 CA GLN A 456 3.025 -7.154 -1.414 1.00 0.00 C ATOM 504 C GLN A 456 1.521 -6.918 -1.490 1.00 0.00 C ATOM 505 O GLN A 456 0.990 -6.556 -2.541 1.00 0.00 O ATOM 506 CB GLN A 456 3.320 -8.655 -1.418 1.00 0.00 C ATOM 507 CG GLN A 456 2.239 -9.488 -0.749 1.00 0.00 C ATOM 508 CD GLN A 456 2.462 -10.978 -0.918 1.00 0.00 C ATOM 509 OE1 GLN A 456 3.593 -11.460 -0.850 1.00 0.00 O ATOM 510 NE2 GLN A 456 1.382 -11.717 -1.141 1.00 0.00 N ATOM 0 H GLN A 456 4.181 -7.146 0.336 1.00 0.00 H new ATOM 0 HA GLN A 456 3.490 -6.698 -2.288 1.00 0.00 H new ATOM 0 HB2 GLN A 456 3.441 -8.991 -2.448 1.00 0.00 H new ATOM 0 HB3 GLN A 456 4.269 -8.832 -0.912 1.00 0.00 H new ATOM 0 HG2 GLN A 456 2.206 -9.248 0.314 1.00 0.00 H new ATOM 0 HG3 GLN A 456 1.269 -9.220 -1.167 1.00 0.00 H new ATOM 0 HE21 GLN A 456 0.464 -11.276 -1.190 1.00 0.00 H new ATOM 0 HE22 GLN A 456 1.471 -12.726 -1.264 1.00 0.00 H new ATOM 519 N LEU A 457 0.837 -7.126 -0.370 1.00 0.00 N ATOM 520 CA LEU A 457 -0.608 -6.937 -0.309 1.00 0.00 C ATOM 521 C LEU A 457 -0.988 -5.513 -0.704 1.00 0.00 C ATOM 522 O LEU A 457 -1.645 -5.294 -1.722 1.00 0.00 O ATOM 523 CB LEU A 457 -1.124 -7.243 1.098 1.00 0.00 C ATOM 524 CG LEU A 457 -2.640 -7.180 1.286 1.00 0.00 C ATOM 525 CD1 LEU A 457 -3.275 -8.520 0.948 1.00 0.00 C ATOM 526 CD2 LEU A 457 -2.985 -6.769 2.710 1.00 0.00 C ATOM 0 H LEU A 457 1.260 -7.426 0.508 1.00 0.00 H new ATOM 0 HA LEU A 457 -1.070 -7.626 -1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -0.784 -8.240 1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -0.662 -6.542 1.793 1.00 0.00 H new ATOM 0 HG LEU A 457 -3.040 -6.428 0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -4.354 -8.457 1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -3.057 -8.774 -0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -2.869 -9.291 1.603 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -4.068 -6.730 2.825 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -2.572 -7.497 3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -2.562 -5.786 2.918 1.00 0.00 H new ATOM 538 N PHE A 458 -0.567 -4.548 0.107 1.00 0.00 N ATOM 539 CA PHE A 458 -0.862 -3.144 -0.158 1.00 0.00 C ATOM 540 C PHE A 458 -0.098 -2.650 -1.383 1.00 0.00 C ATOM 541 O PHE A 458 -0.329 -1.542 -1.866 1.00 0.00 O ATOM 542 CB PHE A 458 -0.507 -2.288 1.059 1.00 0.00 C ATOM 543 CG PHE A 458 -1.612 -2.199 2.072 1.00 0.00 C ATOM 544 CD1 PHE A 458 -1.728 -3.148 3.076 1.00 0.00 C ATOM 545 CD2 PHE A 458 -2.535 -1.167 2.022 1.00 0.00 C ATOM 546 CE1 PHE A 458 -2.744 -3.068 4.009 1.00 0.00 C ATOM 547 CE2 PHE A 458 -3.553 -1.082 2.953 1.00 0.00 C ATOM 548 CZ PHE A 458 -3.657 -2.034 3.948 1.00 0.00 C ATOM 0 H PHE A 458 -0.021 -4.712 0.953 1.00 0.00 H new ATOM 0 HA PHE A 458 -1.930 -3.054 -0.357 1.00 0.00 H new ATOM 0 HB2 PHE A 458 0.381 -2.701 1.537 1.00 0.00 H new ATOM 0 HB3 PHE A 458 -0.250 -1.283 0.724 1.00 0.00 H new ATOM 0 HD1 PHE A 458 -1.016 -3.959 3.129 1.00 0.00 H new ATOM 0 HD2 PHE A 458 -2.458 -0.420 1.246 1.00 0.00 H new ATOM 0 HE1 PHE A 458 -2.824 -3.814 4.786 1.00 0.00 H new ATOM 0 HE2 PHE A 458 -4.266 -0.272 2.902 1.00 0.00 H new ATOM 0 HZ PHE A 458 -4.451 -1.970 4.677 1.00 0.00 H new ATOM 558 N SER A 459 0.814 -3.480 -1.879 1.00 0.00 N ATOM 559 CA SER A 459 1.616 -3.127 -3.044 1.00 0.00 C ATOM 560 C SER A 459 0.769 -2.407 -4.089 1.00 0.00 C ATOM 561 O SER A 459 1.226 -1.462 -4.731 1.00 0.00 O ATOM 562 CB SER A 459 2.246 -4.380 -3.655 1.00 0.00 C ATOM 563 OG SER A 459 3.126 -4.044 -4.714 1.00 0.00 O ATOM 0 H SER A 459 1.016 -4.402 -1.492 1.00 0.00 H new ATOM 0 HA SER A 459 2.409 -2.453 -2.718 1.00 0.00 H new ATOM 0 HB2 SER A 459 2.790 -4.929 -2.886 1.00 0.00 H new ATOM 0 HB3 SER A 459 1.463 -5.041 -4.025 1.00 0.00 H new ATOM 0 HG SER A 459 3.517 -4.862 -5.087 1.00 0.00 H new ATOM 569 N ALA A 460 -0.468 -2.863 -4.254 1.00 0.00 N ATOM 570 CA ALA A 460 -1.381 -2.263 -5.219 1.00 0.00 C ATOM 571 C ALA A 460 -1.190 -0.752 -5.289 1.00 0.00 C ATOM 572 O ALA A 460 -1.211 -0.163 -6.371 1.00 0.00 O ATOM 573 CB ALA A 460 -2.822 -2.598 -4.862 1.00 0.00 C ATOM 0 H ALA A 460 -0.861 -3.646 -3.732 1.00 0.00 H new ATOM 0 HA ALA A 460 -1.156 -2.678 -6.201 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -3.493 -2.143 -5.591 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -2.957 -3.680 -4.870 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -3.050 -2.211 -3.869 1.00 0.00 H new ATOM 579 N PHE A 461 -1.003 -0.129 -4.131 1.00 0.00 N ATOM 580 CA PHE A 461 -0.809 1.315 -4.061 1.00 0.00 C ATOM 581 C PHE A 461 0.643 1.684 -4.353 1.00 0.00 C ATOM 582 O PHE A 461 0.921 2.525 -5.207 1.00 0.00 O ATOM 583 CB PHE A 461 -1.212 1.839 -2.681 1.00 0.00 C ATOM 584 CG PHE A 461 -2.569 1.373 -2.236 1.00 0.00 C ATOM 585 CD1 PHE A 461 -3.718 1.971 -2.728 1.00 0.00 C ATOM 586 CD2 PHE A 461 -2.695 0.337 -1.325 1.00 0.00 C ATOM 587 CE1 PHE A 461 -4.968 1.544 -2.321 1.00 0.00 C ATOM 588 CE2 PHE A 461 -3.942 -0.095 -0.914 1.00 0.00 C ATOM 589 CZ PHE A 461 -5.080 0.510 -1.411 1.00 0.00 C ATOM 0 H PHE A 461 -0.982 -0.601 -3.227 1.00 0.00 H new ATOM 0 HA PHE A 461 -1.443 1.778 -4.817 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -0.469 1.521 -1.949 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -1.198 2.929 -2.697 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -3.636 2.781 -3.438 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -1.809 -0.139 -0.931 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -5.856 2.018 -2.713 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.027 -0.905 -0.205 1.00 0.00 H new ATOM 0 HZ PHE A 461 -6.055 0.176 -1.089 1.00 0.00 H new ATOM 599 N GLY A 462 1.564 1.047 -3.637 1.00 0.00 N ATOM 600 CA GLY A 462 2.976 1.321 -3.833 1.00 0.00 C ATOM 601 C GLY A 462 3.693 1.626 -2.533 1.00 0.00 C ATOM 602 O GLY A 462 3.379 1.048 -1.493 1.00 0.00 O ATOM 0 H GLY A 462 1.358 0.346 -2.925 1.00 0.00 H new ATOM 0 HA2 GLY A 462 3.447 0.462 -4.311 1.00 0.00 H new ATOM 0 HA3 GLY A 462 3.088 2.165 -4.513 1.00 0.00 H new ATOM 606 N ASN A 463 4.661 2.534 -2.591 1.00 0.00 N ATOM 607 CA ASN A 463 5.427 2.913 -1.409 1.00 0.00 C ATOM 608 C ASN A 463 4.501 3.227 -0.238 1.00 0.00 C ATOM 609 O ASN A 463 3.663 4.126 -0.321 1.00 0.00 O ATOM 610 CB ASN A 463 6.311 4.124 -1.715 1.00 0.00 C ATOM 611 CG ASN A 463 7.384 3.813 -2.740 1.00 0.00 C ATOM 612 OD1 ASN A 463 7.995 2.744 -2.711 1.00 0.00 O ATOM 613 ND2 ASN A 463 7.619 4.749 -3.652 1.00 0.00 N ATOM 0 H ASN A 463 4.934 3.022 -3.444 1.00 0.00 H new ATOM 0 HA ASN A 463 6.061 2.070 -1.132 1.00 0.00 H new ATOM 0 HB2 ASN A 463 5.689 4.941 -2.081 1.00 0.00 H new ATOM 0 HB3 ASN A 463 6.781 4.469 -0.794 1.00 0.00 H new ATOM 0 HD21 ASN A 463 8.330 4.597 -4.367 1.00 0.00 H new ATOM 0 HD22 ASN A 463 7.088 5.620 -3.638 1.00 0.00 H new ATOM 620 N ILE A 464 4.658 2.481 0.850 1.00 0.00 N ATOM 621 CA ILE A 464 3.837 2.682 2.038 1.00 0.00 C ATOM 622 C ILE A 464 4.673 2.574 3.308 1.00 0.00 C ATOM 623 O ILE A 464 5.826 2.144 3.269 1.00 0.00 O ATOM 624 CB ILE A 464 2.686 1.660 2.106 1.00 0.00 C ATOM 625 CG1 ILE A 464 3.239 0.250 2.321 1.00 0.00 C ATOM 626 CG2 ILE A 464 1.850 1.719 0.836 1.00 0.00 C ATOM 627 CD1 ILE A 464 2.215 -0.726 2.854 1.00 0.00 C ATOM 0 H ILE A 464 5.346 1.732 0.934 1.00 0.00 H new ATOM 0 HA ILE A 464 3.418 3.685 1.966 1.00 0.00 H new ATOM 0 HB ILE A 464 2.046 1.912 2.951 1.00 0.00 H new ATOM 0 HG12 ILE A 464 3.630 -0.126 1.376 1.00 0.00 H new ATOM 0 HG13 ILE A 464 4.078 0.299 3.015 1.00 0.00 H new ATOM 0 HG21 ILE A 464 1.041 0.991 0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 464 1.431 2.719 0.722 1.00 0.00 H new ATOM 0 HG23 ILE A 464 2.479 1.489 -0.024 1.00 0.00 H new ATOM 0 HD11 ILE A 464 2.677 -1.705 2.982 1.00 0.00 H new ATOM 0 HD12 ILE A 464 1.842 -0.373 3.815 1.00 0.00 H new ATOM 0 HD13 ILE A 464 1.387 -0.805 2.150 1.00 0.00 H new ATOM 639 N GLN A 465 4.083 2.966 4.433 1.00 0.00 N ATOM 640 CA GLN A 465 4.774 2.913 5.716 1.00 0.00 C ATOM 641 C GLN A 465 4.100 1.919 6.656 1.00 0.00 C ATOM 642 O GLN A 465 3.074 2.224 7.265 1.00 0.00 O ATOM 643 CB GLN A 465 4.807 4.300 6.359 1.00 0.00 C ATOM 644 CG GLN A 465 5.840 4.432 7.467 1.00 0.00 C ATOM 645 CD GLN A 465 5.498 5.529 8.456 1.00 0.00 C ATOM 646 OE1 GLN A 465 6.309 6.417 8.720 1.00 0.00 O ATOM 647 NE2 GLN A 465 4.292 5.474 9.008 1.00 0.00 N ATOM 0 H GLN A 465 3.129 3.323 4.482 1.00 0.00 H new ATOM 0 HA GLN A 465 5.796 2.580 5.537 1.00 0.00 H new ATOM 0 HB2 GLN A 465 5.015 5.043 5.589 1.00 0.00 H new ATOM 0 HB3 GLN A 465 3.821 4.527 6.764 1.00 0.00 H new ATOM 0 HG2 GLN A 465 5.922 3.483 7.997 1.00 0.00 H new ATOM 0 HG3 GLN A 465 6.816 4.637 7.026 1.00 0.00 H new ATOM 0 HE21 GLN A 465 3.652 4.720 8.760 1.00 0.00 H new ATOM 0 HE22 GLN A 465 4.006 6.186 9.680 1.00 0.00 H new ATOM 656 N ILE A 466 4.683 0.730 6.770 1.00 0.00 N ATOM 657 CA ILE A 466 4.139 -0.307 7.636 1.00 0.00 C ATOM 658 C ILE A 466 4.700 -0.194 9.049 1.00 0.00 C ATOM 659 O ILE A 466 5.862 -0.518 9.294 1.00 0.00 O ATOM 660 CB ILE A 466 4.440 -1.715 7.087 1.00 0.00 C ATOM 661 CG1 ILE A 466 3.969 -1.831 5.636 1.00 0.00 C ATOM 662 CG2 ILE A 466 3.774 -2.774 7.953 1.00 0.00 C ATOM 663 CD1 ILE A 466 4.505 -3.053 4.924 1.00 0.00 C ATOM 0 H ILE A 466 5.532 0.462 6.273 1.00 0.00 H new ATOM 0 HA ILE A 466 3.059 -0.160 7.664 1.00 0.00 H new ATOM 0 HB ILE A 466 5.517 -1.877 7.113 1.00 0.00 H new ATOM 0 HG12 ILE A 466 2.879 -1.858 5.617 1.00 0.00 H new ATOM 0 HG13 ILE A 466 4.275 -0.939 5.090 1.00 0.00 H new ATOM 0 HG21 ILE A 466 3.996 -3.763 7.553 1.00 0.00 H new ATOM 0 HG22 ILE A 466 4.153 -2.702 8.972 1.00 0.00 H new ATOM 0 HG23 ILE A 466 2.695 -2.617 7.955 1.00 0.00 H new ATOM 0 HD11 ILE A 466 4.131 -3.071 3.900 1.00 0.00 H new ATOM 0 HD12 ILE A 466 5.594 -3.018 4.912 1.00 0.00 H new ATOM 0 HD13 ILE A 466 4.177 -3.952 5.446 1.00 0.00 H new ATOM 675 N SER A 467 3.867 0.267 9.976 1.00 0.00 N ATOM 676 CA SER A 467 4.281 0.425 11.366 1.00 0.00 C ATOM 677 C SER A 467 3.794 -0.746 12.214 1.00 0.00 C ATOM 678 O SER A 467 2.592 -0.977 12.342 1.00 0.00 O ATOM 679 CB SER A 467 3.742 1.739 11.934 1.00 0.00 C ATOM 680 OG SER A 467 4.607 2.257 12.930 1.00 0.00 O ATOM 0 H SER A 467 2.901 0.538 9.790 1.00 0.00 H new ATOM 0 HA SER A 467 5.370 0.444 11.395 1.00 0.00 H new ATOM 0 HB2 SER A 467 3.630 2.467 11.131 1.00 0.00 H new ATOM 0 HB3 SER A 467 2.751 1.576 12.357 1.00 0.00 H new ATOM 0 HG SER A 467 4.241 3.098 13.276 1.00 0.00 H new ATOM 686 N TRP A 468 4.738 -1.482 12.791 1.00 0.00 N ATOM 687 CA TRP A 468 4.406 -2.630 13.628 1.00 0.00 C ATOM 688 C TRP A 468 4.058 -2.188 15.045 1.00 0.00 C ATOM 689 O TRP A 468 4.922 -1.726 15.791 1.00 0.00 O ATOM 690 CB TRP A 468 5.574 -3.617 13.660 1.00 0.00 C ATOM 691 CG TRP A 468 5.861 -4.242 12.329 1.00 0.00 C ATOM 692 CD1 TRP A 468 6.591 -3.701 11.309 1.00 0.00 C ATOM 693 CD2 TRP A 468 5.421 -5.526 11.872 1.00 0.00 C ATOM 694 NE1 TRP A 468 6.632 -4.571 10.247 1.00 0.00 N ATOM 695 CE2 TRP A 468 5.923 -5.698 10.567 1.00 0.00 C ATOM 696 CE3 TRP A 468 4.655 -6.548 12.440 1.00 0.00 C ATOM 697 CZ2 TRP A 468 5.680 -6.850 9.823 1.00 0.00 C ATOM 698 CZ3 TRP A 468 4.415 -7.690 11.700 1.00 0.00 C ATOM 699 CH2 TRP A 468 4.927 -7.834 10.403 1.00 0.00 C ATOM 0 H TRP A 468 5.738 -1.305 12.695 1.00 0.00 H new ATOM 0 HA TRP A 468 3.534 -3.123 13.198 1.00 0.00 H new ATOM 0 HB2 TRP A 468 6.467 -3.100 14.011 1.00 0.00 H new ATOM 0 HB3 TRP A 468 5.356 -4.403 14.383 1.00 0.00 H new ATOM 0 HD1 TRP A 468 7.066 -2.731 11.334 1.00 0.00 H new ATOM 0 HE1 TRP A 468 7.113 -4.405 9.363 1.00 0.00 H new ATOM 0 HE3 TRP A 468 4.258 -6.447 13.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 468 6.072 -6.963 8.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 468 3.823 -8.485 12.128 1.00 0.00 H new ATOM 0 HH2 TRP A 468 4.723 -8.739 9.851 1.00 0.00 H new ATOM 710 N ILE A 469 2.789 -2.334 15.410 1.00 0.00 N ATOM 711 CA ILE A 469 2.328 -1.951 16.739 1.00 0.00 C ATOM 712 C ILE A 469 2.436 -3.117 17.716 1.00 0.00 C ATOM 713 O ILE A 469 3.276 -3.110 18.616 1.00 0.00 O ATOM 714 CB ILE A 469 0.870 -1.455 16.709 1.00 0.00 C ATOM 715 CG1 ILE A 469 0.646 -0.537 15.506 1.00 0.00 C ATOM 716 CG2 ILE A 469 0.529 -0.734 18.004 1.00 0.00 C ATOM 717 CD1 ILE A 469 -0.767 -0.580 14.967 1.00 0.00 C ATOM 0 H ILE A 469 2.062 -2.715 14.804 1.00 0.00 H new ATOM 0 HA ILE A 469 2.973 -1.138 17.074 1.00 0.00 H new ATOM 0 HB ILE A 469 0.210 -2.317 16.612 1.00 0.00 H new ATOM 0 HG12 ILE A 469 0.886 0.487 15.791 1.00 0.00 H new ATOM 0 HG13 ILE A 469 1.338 -0.817 14.712 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -0.504 -0.390 17.967 1.00 0.00 H new ATOM 0 HG22 ILE A 469 0.654 -1.417 18.844 1.00 0.00 H new ATOM 0 HG23 ILE A 469 1.192 0.122 18.130 1.00 0.00 H new ATOM 0 HD11 ILE A 469 -0.852 0.095 14.116 1.00 0.00 H new ATOM 0 HD12 ILE A 469 -1.005 -1.595 14.650 1.00 0.00 H new ATOM 0 HD13 ILE A 469 -1.463 -0.271 15.746 1.00 0.00 H new ATOM 729 N ASP A 470 1.583 -4.118 17.530 1.00 0.00 N ATOM 730 CA ASP A 470 1.584 -5.294 18.393 1.00 0.00 C ATOM 731 C ASP A 470 1.893 -6.555 17.592 1.00 0.00 C ATOM 732 O ASP A 470 2.196 -6.487 16.401 1.00 0.00 O ATOM 733 CB ASP A 470 0.233 -5.439 19.095 1.00 0.00 C ATOM 734 CG ASP A 470 -0.237 -4.139 19.719 1.00 0.00 C ATOM 735 OD1 ASP A 470 0.241 -3.068 19.290 1.00 0.00 O ATOM 736 OD2 ASP A 470 -1.084 -4.194 20.634 1.00 0.00 O ATOM 0 H ASP A 470 0.882 -4.139 16.789 1.00 0.00 H new ATOM 0 HA ASP A 470 2.363 -5.162 19.144 1.00 0.00 H new ATOM 0 HB2 ASP A 470 -0.511 -5.784 18.377 1.00 0.00 H new ATOM 0 HB3 ASP A 470 0.309 -6.204 19.868 1.00 0.00 H new ATOM 741 N ASP A 471 1.815 -7.704 18.255 1.00 0.00 N ATOM 742 CA ASP A 471 2.086 -8.981 17.605 1.00 0.00 C ATOM 743 C ASP A 471 1.083 -9.246 16.487 1.00 0.00 C ATOM 744 O ASP A 471 1.384 -9.947 15.520 1.00 0.00 O ATOM 745 CB ASP A 471 2.041 -10.117 18.627 1.00 0.00 C ATOM 746 CG ASP A 471 2.928 -9.852 19.828 1.00 0.00 C ATOM 747 OD1 ASP A 471 2.670 -8.866 20.549 1.00 0.00 O ATOM 748 OD2 ASP A 471 3.881 -10.629 20.045 1.00 0.00 O ATOM 0 H ASP A 471 1.566 -7.777 19.242 1.00 0.00 H new ATOM 0 HA ASP A 471 3.084 -8.934 17.169 1.00 0.00 H new ATOM 0 HB2 ASP A 471 1.014 -10.259 18.962 1.00 0.00 H new ATOM 0 HB3 ASP A 471 2.351 -11.045 18.148 1.00 0.00 H new ATOM 753 N THR A 472 -0.113 -8.681 16.626 1.00 0.00 N ATOM 754 CA THR A 472 -1.162 -8.858 15.629 1.00 0.00 C ATOM 755 C THR A 472 -1.799 -7.524 15.259 1.00 0.00 C ATOM 756 O THR A 472 -2.916 -7.480 14.745 1.00 0.00 O ATOM 757 CB THR A 472 -2.259 -9.815 16.132 1.00 0.00 C ATOM 758 OG1 THR A 472 -2.774 -9.355 17.386 1.00 0.00 O ATOM 759 CG2 THR A 472 -1.714 -11.227 16.290 1.00 0.00 C ATOM 0 H THR A 472 -0.379 -8.097 17.419 1.00 0.00 H new ATOM 0 HA THR A 472 -0.690 -9.290 14.747 1.00 0.00 H new ATOM 0 HB THR A 472 -3.061 -9.832 15.394 1.00 0.00 H new ATOM 0 HG1 THR A 472 -3.472 -9.968 17.698 1.00 0.00 H new ATOM 0 HG21 THR A 472 -2.506 -11.885 16.646 1.00 0.00 H new ATOM 0 HG22 THR A 472 -1.349 -11.586 15.328 1.00 0.00 H new ATOM 0 HG23 THR A 472 -0.895 -11.223 17.010 1.00 0.00 H new ATOM 767 N SER A 473 -1.080 -6.437 15.523 1.00 0.00 N ATOM 768 CA SER A 473 -1.577 -5.100 15.219 1.00 0.00 C ATOM 769 C SER A 473 -0.561 -4.317 14.393 1.00 0.00 C ATOM 770 O SER A 473 0.626 -4.286 14.715 1.00 0.00 O ATOM 771 CB SER A 473 -1.890 -4.344 16.512 1.00 0.00 C ATOM 772 OG SER A 473 -2.858 -3.333 16.290 1.00 0.00 O ATOM 0 H SER A 473 -0.152 -6.456 15.946 1.00 0.00 H new ATOM 0 HA SER A 473 -2.492 -5.203 14.635 1.00 0.00 H new ATOM 0 HB2 SER A 473 -2.255 -5.042 17.266 1.00 0.00 H new ATOM 0 HB3 SER A 473 -0.977 -3.898 16.906 1.00 0.00 H new ATOM 0 HG SER A 473 -3.574 -3.685 15.721 1.00 0.00 H new ATOM 778 N ALA A 474 -1.037 -3.686 13.324 1.00 0.00 N ATOM 779 CA ALA A 474 -0.172 -2.902 12.452 1.00 0.00 C ATOM 780 C ALA A 474 -0.884 -1.648 11.957 1.00 0.00 C ATOM 781 O ALA A 474 -2.109 -1.545 12.035 1.00 0.00 O ATOM 782 CB ALA A 474 0.295 -3.745 11.275 1.00 0.00 C ATOM 0 H ALA A 474 -2.017 -3.703 13.042 1.00 0.00 H new ATOM 0 HA ALA A 474 0.698 -2.590 13.029 1.00 0.00 H new ATOM 0 HB1 ALA A 474 0.940 -3.146 10.632 1.00 0.00 H new ATOM 0 HB2 ALA A 474 0.849 -4.608 11.643 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -0.570 -4.085 10.705 1.00 0.00 H new ATOM 788 N PHE A 475 -0.110 -0.695 11.447 1.00 0.00 N ATOM 789 CA PHE A 475 -0.667 0.554 10.941 1.00 0.00 C ATOM 790 C PHE A 475 -0.275 0.771 9.482 1.00 0.00 C ATOM 791 O PHE A 475 0.839 0.449 9.072 1.00 0.00 O ATOM 792 CB PHE A 475 -0.187 1.732 11.790 1.00 0.00 C ATOM 793 CG PHE A 475 -1.110 2.066 12.928 1.00 0.00 C ATOM 794 CD1 PHE A 475 -2.479 2.141 12.728 1.00 0.00 C ATOM 795 CD2 PHE A 475 -0.608 2.305 14.197 1.00 0.00 C ATOM 796 CE1 PHE A 475 -3.331 2.447 13.772 1.00 0.00 C ATOM 797 CE2 PHE A 475 -1.455 2.611 15.245 1.00 0.00 C ATOM 798 CZ PHE A 475 -2.818 2.684 15.032 1.00 0.00 C ATOM 0 H PHE A 475 0.905 -0.764 11.373 1.00 0.00 H new ATOM 0 HA PHE A 475 -1.753 0.490 11.002 1.00 0.00 H new ATOM 0 HB2 PHE A 475 0.801 1.503 12.189 1.00 0.00 H new ATOM 0 HB3 PHE A 475 -0.078 2.609 11.152 1.00 0.00 H new ATOM 0 HD1 PHE A 475 -2.885 1.958 11.744 1.00 0.00 H new ATOM 0 HD2 PHE A 475 0.457 2.252 14.369 1.00 0.00 H new ATOM 0 HE1 PHE A 475 -4.396 2.501 13.603 1.00 0.00 H new ATOM 0 HE2 PHE A 475 -1.052 2.793 16.230 1.00 0.00 H new ATOM 0 HZ PHE A 475 -3.481 2.926 15.849 1.00 0.00 H new ATOM 808 N VAL A 476 -1.202 1.321 8.703 1.00 0.00 N ATOM 809 CA VAL A 476 -0.955 1.582 7.290 1.00 0.00 C ATOM 810 C VAL A 476 -1.403 2.988 6.905 1.00 0.00 C ATOM 811 O VAL A 476 -2.598 3.270 6.825 1.00 0.00 O ATOM 812 CB VAL A 476 -1.681 0.561 6.395 1.00 0.00 C ATOM 813 CG1 VAL A 476 -1.360 0.811 4.929 1.00 0.00 C ATOM 814 CG2 VAL A 476 -1.309 -0.858 6.796 1.00 0.00 C ATOM 0 H VAL A 476 -2.130 1.594 9.027 1.00 0.00 H new ATOM 0 HA VAL A 476 0.120 1.490 7.134 1.00 0.00 H new ATOM 0 HB VAL A 476 -2.755 0.683 6.532 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -1.882 0.079 4.312 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -1.682 1.815 4.652 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -0.286 0.718 4.771 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -1.831 -1.567 6.153 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -0.233 -0.996 6.689 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -1.596 -1.030 7.833 1.00 0.00 H new ATOM 824 N SER A 477 -0.435 3.867 6.667 1.00 0.00 N ATOM 825 CA SER A 477 -0.729 5.246 6.293 1.00 0.00 C ATOM 826 C SER A 477 -0.602 5.438 4.785 1.00 0.00 C ATOM 827 O SER A 477 0.336 4.942 4.160 1.00 0.00 O ATOM 828 CB SER A 477 0.213 6.206 7.022 1.00 0.00 C ATOM 829 OG SER A 477 0.078 7.527 6.527 1.00 0.00 O ATOM 0 H SER A 477 0.560 3.649 6.726 1.00 0.00 H new ATOM 0 HA SER A 477 -1.756 5.465 6.585 1.00 0.00 H new ATOM 0 HB2 SER A 477 -0.003 6.191 8.090 1.00 0.00 H new ATOM 0 HB3 SER A 477 1.243 5.872 6.900 1.00 0.00 H new ATOM 0 HG SER A 477 0.689 8.121 7.010 1.00 0.00 H new ATOM 835 N LEU A 478 -1.554 6.162 4.206 1.00 0.00 N ATOM 836 CA LEU A 478 -1.551 6.422 2.770 1.00 0.00 C ATOM 837 C LEU A 478 -1.328 7.904 2.486 1.00 0.00 C ATOM 838 O LEU A 478 -1.225 8.715 3.406 1.00 0.00 O ATOM 839 CB LEU A 478 -2.870 5.964 2.146 1.00 0.00 C ATOM 840 CG LEU A 478 -3.123 4.456 2.143 1.00 0.00 C ATOM 841 CD1 LEU A 478 -4.474 4.143 1.518 1.00 0.00 C ATOM 842 CD2 LEU A 478 -2.009 3.730 1.403 1.00 0.00 C ATOM 0 H LEU A 478 -2.337 6.579 4.708 1.00 0.00 H new ATOM 0 HA LEU A 478 -0.731 5.858 2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 478 -3.688 6.448 2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 478 -2.905 6.320 1.116 1.00 0.00 H new ATOM 0 HG LEU A 478 -3.134 4.106 3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 478 -4.637 3.065 1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 478 -5.262 4.633 2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 478 -4.493 4.507 0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 478 -2.205 2.658 1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 478 -1.966 4.084 0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 478 -1.056 3.928 1.895 1.00 0.00 H new ATOM 854 N SER A 479 -1.256 8.251 1.204 1.00 0.00 N ATOM 855 CA SER A 479 -1.044 9.635 0.798 1.00 0.00 C ATOM 856 C SER A 479 -2.374 10.333 0.531 1.00 0.00 C ATOM 857 O SER A 479 -2.625 11.427 1.037 1.00 0.00 O ATOM 858 CB SER A 479 -0.165 9.693 -0.453 1.00 0.00 C ATOM 859 OG SER A 479 1.185 9.396 -0.142 1.00 0.00 O ATOM 0 H SER A 479 -1.341 7.593 0.430 1.00 0.00 H new ATOM 0 HA SER A 479 -0.539 10.153 1.613 1.00 0.00 H new ATOM 0 HB2 SER A 479 -0.535 8.985 -1.194 1.00 0.00 H new ATOM 0 HB3 SER A 479 -0.229 10.685 -0.900 1.00 0.00 H new ATOM 0 HG SER A 479 1.726 9.438 -0.958 1.00 0.00 H new ATOM 865 N GLN A 480 -3.222 9.692 -0.267 1.00 0.00 N ATOM 866 CA GLN A 480 -4.526 10.251 -0.602 1.00 0.00 C ATOM 867 C GLN A 480 -5.640 9.510 0.130 1.00 0.00 C ATOM 868 O GLN A 480 -5.569 8.302 0.359 1.00 0.00 O ATOM 869 CB GLN A 480 -4.760 10.185 -2.112 1.00 0.00 C ATOM 870 CG GLN A 480 -3.928 11.184 -2.901 1.00 0.00 C ATOM 871 CD GLN A 480 -4.131 11.059 -4.398 1.00 0.00 C ATOM 872 OE1 GLN A 480 -5.219 10.716 -4.862 1.00 0.00 O ATOM 873 NE2 GLN A 480 -3.083 11.339 -5.163 1.00 0.00 N ATOM 0 H GLN A 480 -3.029 8.786 -0.693 1.00 0.00 H new ATOM 0 HA GLN A 480 -4.539 11.294 -0.285 1.00 0.00 H new ATOM 0 HB2 GLN A 480 -4.533 9.178 -2.463 1.00 0.00 H new ATOM 0 HB3 GLN A 480 -5.816 10.363 -2.316 1.00 0.00 H new ATOM 0 HG2 GLN A 480 -4.186 12.195 -2.586 1.00 0.00 H new ATOM 0 HG3 GLN A 480 -2.873 11.037 -2.668 1.00 0.00 H new ATOM 0 HE21 GLN A 480 -2.200 11.619 -4.736 1.00 0.00 H new ATOM 0 HE22 GLN A 480 -3.161 11.274 -6.178 1.00 0.00 H new ATOM 882 N PRO A 481 -6.695 10.248 0.507 1.00 0.00 N ATOM 883 CA PRO A 481 -7.844 9.682 1.218 1.00 0.00 C ATOM 884 C PRO A 481 -8.680 8.764 0.332 1.00 0.00 C ATOM 885 O PRO A 481 -9.414 7.909 0.827 1.00 0.00 O ATOM 886 CB PRO A 481 -8.654 10.916 1.624 1.00 0.00 C ATOM 887 CG PRO A 481 -8.282 11.958 0.626 1.00 0.00 C ATOM 888 CD PRO A 481 -6.846 11.693 0.267 1.00 0.00 C ATOM 0 HA PRO A 481 -7.536 9.061 2.060 1.00 0.00 H new ATOM 0 HB2 PRO A 481 -9.724 10.712 1.603 1.00 0.00 H new ATOM 0 HB3 PRO A 481 -8.410 11.234 2.638 1.00 0.00 H new ATOM 0 HG2 PRO A 481 -8.921 11.901 -0.255 1.00 0.00 H new ATOM 0 HG3 PRO A 481 -8.402 12.958 1.043 1.00 0.00 H new ATOM 0 HD2 PRO A 481 -6.637 11.952 -0.771 1.00 0.00 H new ATOM 0 HD3 PRO A 481 -6.163 12.276 0.885 1.00 0.00 H new ATOM 896 N GLU A 482 -8.562 8.948 -0.979 1.00 0.00 N ATOM 897 CA GLU A 482 -9.307 8.135 -1.933 1.00 0.00 C ATOM 898 C GLU A 482 -8.964 6.657 -1.775 1.00 0.00 C ATOM 899 O GLU A 482 -9.851 5.810 -1.685 1.00 0.00 O ATOM 900 CB GLU A 482 -9.011 8.589 -3.364 1.00 0.00 C ATOM 901 CG GLU A 482 -9.808 9.809 -3.794 1.00 0.00 C ATOM 902 CD GLU A 482 -9.679 10.963 -2.819 1.00 0.00 C ATOM 903 OE1 GLU A 482 -8.537 11.394 -2.557 1.00 0.00 O ATOM 904 OE2 GLU A 482 -10.721 11.435 -2.318 1.00 0.00 O ATOM 0 H GLU A 482 -7.959 9.652 -1.404 1.00 0.00 H new ATOM 0 HA GLU A 482 -10.370 8.266 -1.730 1.00 0.00 H new ATOM 0 HB2 GLU A 482 -7.948 8.811 -3.453 1.00 0.00 H new ATOM 0 HB3 GLU A 482 -9.224 7.767 -4.048 1.00 0.00 H new ATOM 0 HG2 GLU A 482 -9.470 10.131 -4.779 1.00 0.00 H new ATOM 0 HG3 GLU A 482 -10.859 9.536 -3.891 1.00 0.00 H new ATOM 911 N GLN A 483 -7.669 6.357 -1.742 1.00 0.00 N ATOM 912 CA GLN A 483 -7.208 4.981 -1.596 1.00 0.00 C ATOM 913 C GLN A 483 -7.924 4.287 -0.442 1.00 0.00 C ATOM 914 O GLN A 483 -8.398 3.159 -0.581 1.00 0.00 O ATOM 915 CB GLN A 483 -5.696 4.950 -1.366 1.00 0.00 C ATOM 916 CG GLN A 483 -4.886 5.317 -2.599 1.00 0.00 C ATOM 917 CD GLN A 483 -3.475 5.755 -2.260 1.00 0.00 C ATOM 918 OE1 GLN A 483 -3.354 6.894 -1.587 1.00 0.00 O flip ATOM 919 NE2 GLN A 483 -2.504 5.079 -2.599 1.00 0.00 N flip ATOM 0 H GLN A 483 -6.922 7.047 -1.814 1.00 0.00 H new ATOM 0 HA GLN A 483 -7.440 4.447 -2.517 1.00 0.00 H new ATOM 0 HB2 GLN A 483 -5.445 5.638 -0.559 1.00 0.00 H new ATOM 0 HB3 GLN A 483 -5.407 3.952 -1.035 1.00 0.00 H new ATOM 0 HG2 GLN A 483 -4.845 4.460 -3.271 1.00 0.00 H new ATOM 0 HG3 GLN A 483 -5.392 6.119 -3.136 1.00 0.00 H new ATOM 0 HE21 GLN A 483 -2.643 4.210 -3.115 1.00 0.00 H new ATOM 0 HE22 GLN A 483 -1.561 5.388 -2.364 1.00 0.00 H new ATOM 928 N VAL A 484 -7.999 4.967 0.697 1.00 0.00 N ATOM 929 CA VAL A 484 -8.658 4.416 1.875 1.00 0.00 C ATOM 930 C VAL A 484 -9.862 3.566 1.484 1.00 0.00 C ATOM 931 O VAL A 484 -9.948 2.393 1.844 1.00 0.00 O ATOM 932 CB VAL A 484 -9.120 5.530 2.833 1.00 0.00 C ATOM 933 CG1 VAL A 484 -9.912 4.945 3.991 1.00 0.00 C ATOM 934 CG2 VAL A 484 -7.926 6.324 3.340 1.00 0.00 C ATOM 0 H VAL A 484 -7.611 5.901 0.829 1.00 0.00 H new ATOM 0 HA VAL A 484 -7.925 3.791 2.384 1.00 0.00 H new ATOM 0 HB VAL A 484 -9.773 6.209 2.285 1.00 0.00 H new ATOM 0 HG11 VAL A 484 -10.230 5.747 4.657 1.00 0.00 H new ATOM 0 HG12 VAL A 484 -10.789 4.425 3.606 1.00 0.00 H new ATOM 0 HG13 VAL A 484 -9.286 4.243 4.542 1.00 0.00 H new ATOM 0 HG21 VAL A 484 -8.270 7.107 4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 484 -7.246 5.659 3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 484 -7.405 6.776 2.496 1.00 0.00 H new ATOM 944 N GLN A 485 -10.789 4.167 0.744 1.00 0.00 N ATOM 945 CA GLN A 485 -11.988 3.465 0.304 1.00 0.00 C ATOM 946 C GLN A 485 -11.634 2.114 -0.309 1.00 0.00 C ATOM 947 O GLN A 485 -11.917 1.065 0.271 1.00 0.00 O ATOM 948 CB GLN A 485 -12.758 4.313 -0.710 1.00 0.00 C ATOM 949 CG GLN A 485 -14.207 3.886 -0.884 1.00 0.00 C ATOM 950 CD GLN A 485 -14.998 3.965 0.407 1.00 0.00 C ATOM 951 OE1 GLN A 485 -14.882 2.935 1.236 1.00 0.00 O flip ATOM 952 NE2 GLN A 485 -15.705 4.942 0.657 1.00 0.00 N flip ATOM 0 H GLN A 485 -10.732 5.138 0.437 1.00 0.00 H new ATOM 0 HA GLN A 485 -12.619 3.293 1.176 1.00 0.00 H new ATOM 0 HB2 GLN A 485 -12.731 5.356 -0.394 1.00 0.00 H new ATOM 0 HB3 GLN A 485 -12.253 4.258 -1.675 1.00 0.00 H new ATOM 0 HG2 GLN A 485 -14.680 4.518 -1.635 1.00 0.00 H new ATOM 0 HG3 GLN A 485 -14.238 2.864 -1.262 1.00 0.00 H new ATOM 0 HE21 GLN A 485 -15.765 5.712 -0.009 1.00 0.00 H new ATOM 0 HE22 GLN A 485 -16.231 4.981 1.530 1.00 0.00 H new ATOM 961 N ILE A 486 -11.016 2.148 -1.484 1.00 0.00 N ATOM 962 CA ILE A 486 -10.623 0.926 -2.175 1.00 0.00 C ATOM 963 C ILE A 486 -10.017 -0.083 -1.206 1.00 0.00 C ATOM 964 O ILE A 486 -10.380 -1.259 -1.210 1.00 0.00 O ATOM 965 CB ILE A 486 -9.609 1.215 -3.298 1.00 0.00 C ATOM 966 CG1 ILE A 486 -10.286 1.968 -4.445 1.00 0.00 C ATOM 967 CG2 ILE A 486 -8.990 -0.081 -3.799 1.00 0.00 C ATOM 968 CD1 ILE A 486 -10.325 3.467 -4.244 1.00 0.00 C ATOM 0 H ILE A 486 -10.776 3.008 -1.978 1.00 0.00 H new ATOM 0 HA ILE A 486 -11.529 0.507 -2.613 1.00 0.00 H new ATOM 0 HB ILE A 486 -8.813 1.843 -2.897 1.00 0.00 H new ATOM 0 HG12 ILE A 486 -9.760 1.748 -5.374 1.00 0.00 H new ATOM 0 HG13 ILE A 486 -11.305 1.598 -4.560 1.00 0.00 H new ATOM 0 HG21 ILE A 486 -8.276 0.140 -4.592 1.00 0.00 H new ATOM 0 HG22 ILE A 486 -8.477 -0.581 -2.977 1.00 0.00 H new ATOM 0 HG23 ILE A 486 -9.773 -0.732 -4.187 1.00 0.00 H new ATOM 0 HD11 ILE A 486 -10.819 3.936 -5.095 1.00 0.00 H new ATOM 0 HD12 ILE A 486 -10.877 3.698 -3.333 1.00 0.00 H new ATOM 0 HD13 ILE A 486 -9.308 3.849 -4.159 1.00 0.00 H new ATOM 980 N ALA A 487 -9.092 0.385 -0.374 1.00 0.00 N ATOM 981 CA ALA A 487 -8.438 -0.475 0.605 1.00 0.00 C ATOM 982 C ALA A 487 -9.463 -1.195 1.475 1.00 0.00 C ATOM 983 O ALA A 487 -9.354 -2.397 1.715 1.00 0.00 O ATOM 984 CB ALA A 487 -7.486 0.337 1.470 1.00 0.00 C ATOM 0 H ALA A 487 -8.779 1.356 -0.358 1.00 0.00 H new ATOM 0 HA ALA A 487 -7.866 -1.229 0.064 1.00 0.00 H new ATOM 0 HB1 ALA A 487 -7.005 -0.319 2.196 1.00 0.00 H new ATOM 0 HB2 ALA A 487 -6.726 0.799 0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 487 -8.043 1.113 1.995 1.00 0.00 H new ATOM 990 N VAL A 488 -10.459 -0.451 1.946 1.00 0.00 N ATOM 991 CA VAL A 488 -11.505 -1.018 2.789 1.00 0.00 C ATOM 992 C VAL A 488 -12.437 -1.913 1.982 1.00 0.00 C ATOM 993 O VAL A 488 -12.603 -3.093 2.289 1.00 0.00 O ATOM 994 CB VAL A 488 -12.334 0.085 3.473 1.00 0.00 C ATOM 995 CG1 VAL A 488 -13.389 -0.526 4.383 1.00 0.00 C ATOM 996 CG2 VAL A 488 -11.428 1.027 4.252 1.00 0.00 C ATOM 0 H VAL A 488 -10.563 0.546 1.758 1.00 0.00 H new ATOM 0 HA VAL A 488 -11.007 -1.614 3.553 1.00 0.00 H new ATOM 0 HB VAL A 488 -12.844 0.662 2.702 1.00 0.00 H new ATOM 0 HG11 VAL A 488 -13.965 0.269 4.857 1.00 0.00 H new ATOM 0 HG12 VAL A 488 -14.056 -1.156 3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 488 -12.903 -1.129 5.150 1.00 0.00 H new ATOM 0 HG21 VAL A 488 -12.031 1.800 4.729 1.00 0.00 H new ATOM 0 HG22 VAL A 488 -10.889 0.465 5.015 1.00 0.00 H new ATOM 0 HG23 VAL A 488 -10.715 1.491 3.571 1.00 0.00 H new ATOM 1006 N ASN A 489 -13.045 -1.343 0.946 1.00 0.00 N ATOM 1007 CA ASN A 489 -13.963 -2.090 0.093 1.00 0.00 C ATOM 1008 C ASN A 489 -13.495 -3.532 -0.077 1.00 0.00 C ATOM 1009 O ASN A 489 -14.301 -4.464 -0.069 1.00 0.00 O ATOM 1010 CB ASN A 489 -14.082 -1.416 -1.276 1.00 0.00 C ATOM 1011 CG ASN A 489 -14.445 -2.397 -2.374 1.00 0.00 C ATOM 1012 OD1 ASN A 489 -15.502 -3.026 -2.335 1.00 0.00 O ATOM 1013 ND2 ASN A 489 -13.565 -2.533 -3.360 1.00 0.00 N ATOM 0 H ASN A 489 -12.919 -0.367 0.677 1.00 0.00 H new ATOM 0 HA ASN A 489 -14.941 -2.098 0.573 1.00 0.00 H new ATOM 0 HB2 ASN A 489 -14.838 -0.633 -1.228 1.00 0.00 H new ATOM 0 HB3 ASN A 489 -13.137 -0.932 -1.523 1.00 0.00 H new ATOM 0 HD21 ASN A 489 -13.753 -3.180 -4.126 1.00 0.00 H new ATOM 0 HD22 ASN A 489 -12.701 -1.991 -3.351 1.00 0.00 H new ATOM 1020 N THR A 490 -12.187 -3.711 -0.231 1.00 0.00 N ATOM 1021 CA THR A 490 -11.611 -5.038 -0.404 1.00 0.00 C ATOM 1022 C THR A 490 -11.648 -5.827 0.900 1.00 0.00 C ATOM 1023 O THR A 490 -11.969 -7.015 0.909 1.00 0.00 O ATOM 1024 CB THR A 490 -10.156 -4.959 -0.902 1.00 0.00 C ATOM 1025 OG1 THR A 490 -9.378 -4.148 -0.016 1.00 0.00 O ATOM 1026 CG2 THR A 490 -10.096 -4.383 -2.309 1.00 0.00 C ATOM 0 H THR A 490 -11.506 -2.952 -0.239 1.00 0.00 H new ATOM 0 HA THR A 490 -12.216 -5.550 -1.153 1.00 0.00 H new ATOM 0 HB THR A 490 -9.747 -5.969 -0.922 1.00 0.00 H new ATOM 0 HG1 THR A 490 -9.974 -3.584 0.520 1.00 0.00 H new ATOM 0 HG21 THR A 490 -9.058 -4.337 -2.639 1.00 0.00 H new ATOM 0 HG22 THR A 490 -10.665 -5.019 -2.987 1.00 0.00 H new ATOM 0 HG23 THR A 490 -10.522 -3.380 -2.310 1.00 0.00 H new ATOM 1034 N SER A 491 -11.317 -5.158 2.000 1.00 0.00 N ATOM 1035 CA SER A 491 -11.309 -5.799 3.310 1.00 0.00 C ATOM 1036 C SER A 491 -12.718 -6.217 3.719 1.00 0.00 C ATOM 1037 O SER A 491 -12.902 -7.187 4.455 1.00 0.00 O ATOM 1038 CB SER A 491 -10.721 -4.853 4.360 1.00 0.00 C ATOM 1039 OG SER A 491 -11.599 -3.772 4.620 1.00 0.00 O ATOM 0 H SER A 491 -11.051 -4.173 2.010 1.00 0.00 H new ATOM 0 HA SER A 491 -10.688 -6.692 3.246 1.00 0.00 H new ATOM 0 HB2 SER A 491 -10.531 -5.401 5.283 1.00 0.00 H new ATOM 0 HB3 SER A 491 -9.761 -4.471 4.013 1.00 0.00 H new ATOM 0 HG SER A 491 -12.124 -3.576 3.816 1.00 0.00 H new ATOM 1045 N LYS A 492 -13.711 -5.479 3.236 1.00 0.00 N ATOM 1046 CA LYS A 492 -15.105 -5.772 3.548 1.00 0.00 C ATOM 1047 C LYS A 492 -15.365 -7.274 3.517 1.00 0.00 C ATOM 1048 O LYS A 492 -15.670 -7.882 4.544 1.00 0.00 O ATOM 1049 CB LYS A 492 -16.031 -5.063 2.557 1.00 0.00 C ATOM 1050 CG LYS A 492 -16.134 -3.565 2.785 1.00 0.00 C ATOM 1051 CD LYS A 492 -16.960 -3.244 4.019 1.00 0.00 C ATOM 1052 CE LYS A 492 -18.445 -3.453 3.765 1.00 0.00 C ATOM 1053 NZ LYS A 492 -19.285 -2.737 4.765 1.00 0.00 N ATOM 0 H LYS A 492 -13.576 -4.673 2.626 1.00 0.00 H new ATOM 0 HA LYS A 492 -15.311 -5.406 4.554 1.00 0.00 H new ATOM 0 HB2 LYS A 492 -15.672 -5.244 1.544 1.00 0.00 H new ATOM 0 HB3 LYS A 492 -17.026 -5.502 2.625 1.00 0.00 H new ATOM 0 HG2 LYS A 492 -15.135 -3.143 2.895 1.00 0.00 H new ATOM 0 HG3 LYS A 492 -16.585 -3.093 1.912 1.00 0.00 H new ATOM 0 HD2 LYS A 492 -16.639 -3.875 4.847 1.00 0.00 H new ATOM 0 HD3 LYS A 492 -16.783 -2.211 4.318 1.00 0.00 H new ATOM 0 HE2 LYS A 492 -18.695 -3.103 2.763 1.00 0.00 H new ATOM 0 HE3 LYS A 492 -18.672 -4.519 3.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 -20.290 -2.904 4.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 -19.065 -3.089 5.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 -19.087 -1.717 4.718 1.00 0.00 H new ATOM 1067 N TYR A 493 -15.242 -7.868 2.335 1.00 0.00 N ATOM 1068 CA TYR A 493 -15.465 -9.299 2.172 1.00 0.00 C ATOM 1069 C TYR A 493 -14.282 -10.100 2.709 1.00 0.00 C ATOM 1070 O TYR A 493 -14.457 -11.158 3.311 1.00 0.00 O ATOM 1071 CB TYR A 493 -15.695 -9.635 0.698 1.00 0.00 C ATOM 1072 CG TYR A 493 -14.600 -9.134 -0.216 1.00 0.00 C ATOM 1073 CD1 TYR A 493 -13.432 -9.864 -0.398 1.00 0.00 C ATOM 1074 CD2 TYR A 493 -14.733 -7.930 -0.897 1.00 0.00 C ATOM 1075 CE1 TYR A 493 -12.428 -9.410 -1.232 1.00 0.00 C ATOM 1076 CE2 TYR A 493 -13.735 -7.469 -1.734 1.00 0.00 C ATOM 1077 CZ TYR A 493 -12.585 -8.212 -1.898 1.00 0.00 C ATOM 1078 OH TYR A 493 -11.588 -7.756 -2.729 1.00 0.00 O ATOM 0 H TYR A 493 -14.989 -7.380 1.476 1.00 0.00 H new ATOM 0 HA TYR A 493 -16.353 -9.570 2.743 1.00 0.00 H new ATOM 0 HB2 TYR A 493 -15.780 -10.716 0.590 1.00 0.00 H new ATOM 0 HB3 TYR A 493 -16.646 -9.207 0.381 1.00 0.00 H new ATOM 0 HD1 TYR A 493 -13.307 -10.803 0.121 1.00 0.00 H new ATOM 0 HD2 TYR A 493 -15.632 -7.345 -0.770 1.00 0.00 H new ATOM 0 HE1 TYR A 493 -11.526 -9.989 -1.362 1.00 0.00 H new ATOM 0 HE2 TYR A 493 -13.855 -6.532 -2.257 1.00 0.00 H new ATOM 0 HH TYR A 493 -11.856 -6.899 -3.122 1.00 0.00 H new ATOM 1088 N ALA A 494 -13.077 -9.584 2.486 1.00 0.00 N ATOM 1089 CA ALA A 494 -11.865 -10.248 2.948 1.00 0.00 C ATOM 1090 C ALA A 494 -12.032 -10.764 4.373 1.00 0.00 C ATOM 1091 O ALA A 494 -12.232 -9.986 5.305 1.00 0.00 O ATOM 1092 CB ALA A 494 -10.679 -9.299 2.864 1.00 0.00 C ATOM 0 H ALA A 494 -12.915 -8.708 1.988 1.00 0.00 H new ATOM 0 HA ALA A 494 -11.678 -11.104 2.299 1.00 0.00 H new ATOM 0 HB1 ALA A 494 -9.780 -9.808 3.212 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -10.539 -8.982 1.831 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -10.867 -8.426 3.489 1.00 0.00 H new ATOM 1098 N GLU A 495 -11.948 -12.081 4.534 1.00 0.00 N ATOM 1099 CA GLU A 495 -12.091 -12.701 5.847 1.00 0.00 C ATOM 1100 C GLU A 495 -10.727 -12.948 6.484 1.00 0.00 C ATOM 1101 O GLU A 495 -10.523 -12.674 7.666 1.00 0.00 O ATOM 1102 CB GLU A 495 -12.860 -14.019 5.732 1.00 0.00 C ATOM 1103 CG GLU A 495 -12.185 -15.040 4.832 1.00 0.00 C ATOM 1104 CD GLU A 495 -13.108 -16.182 4.451 1.00 0.00 C ATOM 1105 OE1 GLU A 495 -14.287 -15.912 4.139 1.00 0.00 O ATOM 1106 OE2 GLU A 495 -12.651 -17.344 4.465 1.00 0.00 O ATOM 0 H GLU A 495 -11.782 -12.739 3.772 1.00 0.00 H new ATOM 0 HA GLU A 495 -12.651 -12.017 6.485 1.00 0.00 H new ATOM 0 HB2 GLU A 495 -12.981 -14.448 6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 495 -13.860 -13.814 5.349 1.00 0.00 H new ATOM 0 HG2 GLU A 495 -11.833 -14.545 3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 495 -11.307 -15.441 5.338 1.00 0.00 H new ATOM 1113 N SER A 496 -9.796 -13.469 5.690 1.00 0.00 N ATOM 1114 CA SER A 496 -8.452 -13.758 6.177 1.00 0.00 C ATOM 1115 C SER A 496 -7.881 -12.565 6.937 1.00 0.00 C ATOM 1116 O SER A 496 -7.319 -12.717 8.022 1.00 0.00 O ATOM 1117 CB SER A 496 -7.532 -14.121 5.010 1.00 0.00 C ATOM 1118 OG SER A 496 -8.007 -15.265 4.322 1.00 0.00 O ATOM 0 H SER A 496 -9.948 -13.699 4.708 1.00 0.00 H new ATOM 0 HA SER A 496 -8.514 -14.605 6.860 1.00 0.00 H new ATOM 0 HB2 SER A 496 -7.465 -13.280 4.320 1.00 0.00 H new ATOM 0 HB3 SER A 496 -6.525 -14.309 5.382 1.00 0.00 H new ATOM 0 HG SER A 496 -7.402 -15.475 3.580 1.00 0.00 H new ATOM 1124 N TYR A 497 -8.030 -11.378 6.361 1.00 0.00 N ATOM 1125 CA TYR A 497 -7.527 -10.158 6.982 1.00 0.00 C ATOM 1126 C TYR A 497 -8.655 -9.154 7.200 1.00 0.00 C ATOM 1127 O TYR A 497 -9.690 -9.211 6.536 1.00 0.00 O ATOM 1128 CB TYR A 497 -6.433 -9.532 6.115 1.00 0.00 C ATOM 1129 CG TYR A 497 -6.910 -9.127 4.738 1.00 0.00 C ATOM 1130 CD1 TYR A 497 -7.640 -7.960 4.549 1.00 0.00 C ATOM 1131 CD2 TYR A 497 -6.630 -9.912 3.626 1.00 0.00 C ATOM 1132 CE1 TYR A 497 -8.077 -7.587 3.293 1.00 0.00 C ATOM 1133 CE2 TYR A 497 -7.063 -9.546 2.366 1.00 0.00 C ATOM 1134 CZ TYR A 497 -7.786 -8.382 2.205 1.00 0.00 C ATOM 1135 OH TYR A 497 -8.220 -8.014 0.952 1.00 0.00 O ATOM 0 H TYR A 497 -8.495 -11.234 5.465 1.00 0.00 H new ATOM 0 HA TYR A 497 -7.106 -10.421 7.952 1.00 0.00 H new ATOM 0 HB2 TYR A 497 -6.034 -8.655 6.625 1.00 0.00 H new ATOM 0 HB3 TYR A 497 -5.612 -10.242 6.012 1.00 0.00 H new ATOM 0 HD1 TYR A 497 -7.870 -7.334 5.399 1.00 0.00 H new ATOM 0 HD2 TYR A 497 -6.064 -10.824 3.749 1.00 0.00 H new ATOM 0 HE1 TYR A 497 -8.644 -6.677 3.164 1.00 0.00 H new ATOM 0 HE2 TYR A 497 -6.837 -10.167 1.512 1.00 0.00 H new ATOM 0 HH TYR A 497 -7.930 -8.682 0.296 1.00 0.00 H new ATOM 1145 N ARG A 498 -8.446 -8.234 8.137 1.00 0.00 N ATOM 1146 CA ARG A 498 -9.444 -7.216 8.444 1.00 0.00 C ATOM 1147 C ARG A 498 -8.822 -5.823 8.427 1.00 0.00 C ATOM 1148 O ARG A 498 -7.784 -5.588 9.046 1.00 0.00 O ATOM 1149 CB ARG A 498 -10.075 -7.488 9.811 1.00 0.00 C ATOM 1150 CG ARG A 498 -11.246 -6.575 10.133 1.00 0.00 C ATOM 1151 CD ARG A 498 -12.199 -7.220 11.127 1.00 0.00 C ATOM 1152 NE ARG A 498 -13.106 -8.165 10.481 1.00 0.00 N ATOM 1153 CZ ARG A 498 -14.113 -8.764 11.108 1.00 0.00 C ATOM 1154 NH1 ARG A 498 -14.339 -8.517 12.391 1.00 0.00 N ATOM 1155 NH2 ARG A 498 -14.895 -9.612 10.452 1.00 0.00 N ATOM 0 H ARG A 498 -7.595 -8.173 8.696 1.00 0.00 H new ATOM 0 HA ARG A 498 -10.219 -7.258 7.678 1.00 0.00 H new ATOM 0 HB2 ARG A 498 -10.412 -8.524 9.846 1.00 0.00 H new ATOM 0 HB3 ARG A 498 -9.313 -7.374 10.582 1.00 0.00 H new ATOM 0 HG2 ARG A 498 -10.874 -5.635 10.541 1.00 0.00 H new ATOM 0 HG3 ARG A 498 -11.784 -6.334 9.216 1.00 0.00 H new ATOM 0 HD2 ARG A 498 -11.625 -7.736 11.897 1.00 0.00 H new ATOM 0 HD3 ARG A 498 -12.779 -6.445 11.628 1.00 0.00 H new ATOM 0 HE ARG A 498 -12.958 -8.377 9.494 1.00 0.00 H new ATOM 0 HH11 ARG A 498 -13.739 -7.866 12.898 1.00 0.00 H new ATOM 0 HH12 ARG A 498 -15.112 -8.978 12.871 1.00 0.00 H new ATOM 0 HH21 ARG A 498 -14.724 -9.805 9.465 1.00 0.00 H new ATOM 0 HH22 ARG A 498 -15.668 -10.071 10.935 1.00 0.00 H new ATOM 1169 N ILE A 499 -9.464 -4.903 7.714 1.00 0.00 N ATOM 1170 CA ILE A 499 -8.975 -3.534 7.617 1.00 0.00 C ATOM 1171 C ILE A 499 -10.020 -2.540 8.114 1.00 0.00 C ATOM 1172 O ILE A 499 -11.205 -2.666 7.805 1.00 0.00 O ATOM 1173 CB ILE A 499 -8.589 -3.175 6.170 1.00 0.00 C ATOM 1174 CG1 ILE A 499 -7.652 -4.237 5.591 1.00 0.00 C ATOM 1175 CG2 ILE A 499 -7.936 -1.802 6.121 1.00 0.00 C ATOM 1176 CD1 ILE A 499 -7.224 -3.955 4.169 1.00 0.00 C ATOM 0 H ILE A 499 -10.324 -5.082 7.195 1.00 0.00 H new ATOM 0 HA ILE A 499 -8.088 -3.471 8.247 1.00 0.00 H new ATOM 0 HB ILE A 499 -9.495 -3.147 5.564 1.00 0.00 H new ATOM 0 HG12 ILE A 499 -6.765 -4.310 6.221 1.00 0.00 H new ATOM 0 HG13 ILE A 499 -8.149 -5.207 5.627 1.00 0.00 H new ATOM 0 HG21 ILE A 499 -7.669 -1.563 5.092 1.00 0.00 H new ATOM 0 HG22 ILE A 499 -8.633 -1.054 6.498 1.00 0.00 H new ATOM 0 HG23 ILE A 499 -7.037 -1.804 6.738 1.00 0.00 H new ATOM 0 HD11 ILE A 499 -6.561 -4.749 3.824 1.00 0.00 H new ATOM 0 HD12 ILE A 499 -8.103 -3.911 3.526 1.00 0.00 H new ATOM 0 HD13 ILE A 499 -6.698 -3.001 4.130 1.00 0.00 H new ATOM 1188 N GLN A 500 -9.572 -1.553 8.882 1.00 0.00 N ATOM 1189 CA GLN A 500 -10.469 -0.537 9.420 1.00 0.00 C ATOM 1190 C GLN A 500 -9.784 0.825 9.465 1.00 0.00 C ATOM 1191 O GLN A 500 -8.603 0.950 9.139 1.00 0.00 O ATOM 1192 CB GLN A 500 -10.939 -0.931 10.821 1.00 0.00 C ATOM 1193 CG GLN A 500 -11.667 -2.265 10.866 1.00 0.00 C ATOM 1194 CD GLN A 500 -11.612 -2.914 12.235 1.00 0.00 C ATOM 1195 OE1 GLN A 500 -12.633 -3.052 12.910 1.00 0.00 O ATOM 1196 NE2 GLN A 500 -10.418 -3.317 12.652 1.00 0.00 N ATOM 0 H GLN A 500 -8.594 -1.435 9.146 1.00 0.00 H new ATOM 0 HA GLN A 500 -11.334 -0.467 8.761 1.00 0.00 H new ATOM 0 HB2 GLN A 500 -10.076 -0.975 11.486 1.00 0.00 H new ATOM 0 HB3 GLN A 500 -11.599 -0.153 11.206 1.00 0.00 H new ATOM 0 HG2 GLN A 500 -12.708 -2.116 10.580 1.00 0.00 H new ATOM 0 HG3 GLN A 500 -11.228 -2.939 10.131 1.00 0.00 H new ATOM 0 HE21 GLN A 500 -9.599 -3.182 12.059 1.00 0.00 H new ATOM 0 HE22 GLN A 500 -10.320 -3.761 13.565 1.00 0.00 H new ATOM 1205 N THR A 501 -10.533 1.846 9.871 1.00 0.00 N ATOM 1206 CA THR A 501 -9.999 3.199 9.957 1.00 0.00 C ATOM 1207 C THR A 501 -9.482 3.498 11.359 1.00 0.00 C ATOM 1208 O THR A 501 -10.016 2.995 12.349 1.00 0.00 O ATOM 1209 CB THR A 501 -11.063 4.248 9.580 1.00 0.00 C ATOM 1210 OG1 THR A 501 -12.215 4.099 10.417 1.00 0.00 O ATOM 1211 CG2 THR A 501 -11.468 4.107 8.120 1.00 0.00 C ATOM 0 H THR A 501 -11.512 1.761 10.145 1.00 0.00 H new ATOM 0 HA THR A 501 -9.173 3.258 9.248 1.00 0.00 H new ATOM 0 HB THR A 501 -10.634 5.239 9.727 1.00 0.00 H new ATOM 0 HG1 THR A 501 -12.886 4.770 10.173 1.00 0.00 H new ATOM 0 HG21 THR A 501 -12.220 4.858 7.877 1.00 0.00 H new ATOM 0 HG22 THR A 501 -10.594 4.250 7.485 1.00 0.00 H new ATOM 0 HG23 THR A 501 -11.881 3.112 7.951 1.00 0.00 H new ATOM 1219 N TYR A 502 -8.441 4.319 11.438 1.00 0.00 N ATOM 1220 CA TYR A 502 -7.850 4.683 12.721 1.00 0.00 C ATOM 1221 C TYR A 502 -8.931 4.901 13.776 1.00 0.00 C ATOM 1222 O TYR A 502 -8.829 4.403 14.896 1.00 0.00 O ATOM 1223 CB TYR A 502 -7.002 5.947 12.575 1.00 0.00 C ATOM 1224 CG TYR A 502 -6.091 6.205 13.753 1.00 0.00 C ATOM 1225 CD1 TYR A 502 -4.827 5.630 13.818 1.00 0.00 C ATOM 1226 CD2 TYR A 502 -6.493 7.022 14.802 1.00 0.00 C ATOM 1227 CE1 TYR A 502 -3.991 5.861 14.894 1.00 0.00 C ATOM 1228 CE2 TYR A 502 -5.663 7.260 15.881 1.00 0.00 C ATOM 1229 CZ TYR A 502 -4.414 6.678 15.922 1.00 0.00 C ATOM 1230 OH TYR A 502 -3.585 6.911 16.995 1.00 0.00 O ATOM 0 H TYR A 502 -7.989 4.745 10.629 1.00 0.00 H new ATOM 0 HA TYR A 502 -7.212 3.861 13.045 1.00 0.00 H new ATOM 0 HB2 TYR A 502 -6.399 5.867 11.671 1.00 0.00 H new ATOM 0 HB3 TYR A 502 -7.662 6.804 12.443 1.00 0.00 H new ATOM 0 HD1 TYR A 502 -4.492 4.992 13.014 1.00 0.00 H new ATOM 0 HD2 TYR A 502 -7.471 7.479 14.774 1.00 0.00 H new ATOM 0 HE1 TYR A 502 -3.013 5.405 14.930 1.00 0.00 H new ATOM 0 HE2 TYR A 502 -5.991 7.899 16.688 1.00 0.00 H new ATOM 0 HH TYR A 502 -4.032 7.508 17.630 1.00 0.00 H new ATOM 1240 N ALA A 503 -9.965 5.650 13.407 1.00 0.00 N ATOM 1241 CA ALA A 503 -11.066 5.933 14.319 1.00 0.00 C ATOM 1242 C ALA A 503 -11.678 4.644 14.858 1.00 0.00 C ATOM 1243 O ALA A 503 -11.971 4.536 16.048 1.00 0.00 O ATOM 1244 CB ALA A 503 -12.127 6.771 13.622 1.00 0.00 C ATOM 0 H ALA A 503 -10.063 6.071 12.483 1.00 0.00 H new ATOM 0 HA ALA A 503 -10.669 6.497 15.163 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -12.943 6.975 14.315 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -11.688 7.712 13.292 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -12.511 6.227 12.759 1.00 0.00 H new ATOM 1250 N GLU A 504 -11.869 3.670 13.973 1.00 0.00 N ATOM 1251 CA GLU A 504 -12.448 2.389 14.362 1.00 0.00 C ATOM 1252 C GLU A 504 -11.545 1.662 15.354 1.00 0.00 C ATOM 1253 O GLU A 504 -12.023 0.969 16.252 1.00 0.00 O ATOM 1254 CB GLU A 504 -12.678 1.514 13.128 1.00 0.00 C ATOM 1255 CG GLU A 504 -13.868 1.947 12.288 1.00 0.00 C ATOM 1256 CD GLU A 504 -14.508 0.791 11.543 1.00 0.00 C ATOM 1257 OE1 GLU A 504 -13.790 0.102 10.789 1.00 0.00 O ATOM 1258 OE2 GLU A 504 -15.726 0.576 11.715 1.00 0.00 O ATOM 0 H GLU A 504 -11.632 3.743 12.984 1.00 0.00 H new ATOM 0 HA GLU A 504 -13.406 2.583 14.845 1.00 0.00 H new ATOM 0 HB2 GLU A 504 -11.781 1.531 12.509 1.00 0.00 H new ATOM 0 HB3 GLU A 504 -12.825 0.482 13.447 1.00 0.00 H new ATOM 0 HG2 GLU A 504 -14.612 2.415 12.933 1.00 0.00 H new ATOM 0 HG3 GLU A 504 -13.546 2.703 11.571 1.00 0.00 H new ATOM 1265 N TYR A 505 -10.238 1.825 15.183 1.00 0.00 N ATOM 1266 CA TYR A 505 -9.267 1.182 16.060 1.00 0.00 C ATOM 1267 C TYR A 505 -9.268 1.829 17.442 1.00 0.00 C ATOM 1268 O TYR A 505 -9.436 1.153 18.457 1.00 0.00 O ATOM 1269 CB TYR A 505 -7.866 1.260 15.450 1.00 0.00 C ATOM 1270 CG TYR A 505 -6.756 1.039 16.452 1.00 0.00 C ATOM 1271 CD1 TYR A 505 -6.556 -0.207 17.033 1.00 0.00 C ATOM 1272 CD2 TYR A 505 -5.905 2.075 16.817 1.00 0.00 C ATOM 1273 CE1 TYR A 505 -5.543 -0.414 17.950 1.00 0.00 C ATOM 1274 CE2 TYR A 505 -4.889 1.877 17.731 1.00 0.00 C ATOM 1275 CZ TYR A 505 -4.712 0.631 18.295 1.00 0.00 C ATOM 1276 OH TYR A 505 -3.701 0.429 19.207 1.00 0.00 O ATOM 0 H TYR A 505 -9.827 2.397 14.445 1.00 0.00 H new ATOM 0 HA TYR A 505 -9.551 0.135 16.168 1.00 0.00 H new ATOM 0 HB2 TYR A 505 -7.782 0.516 14.658 1.00 0.00 H new ATOM 0 HB3 TYR A 505 -7.735 2.237 14.985 1.00 0.00 H new ATOM 0 HD1 TYR A 505 -7.203 -1.028 16.763 1.00 0.00 H new ATOM 0 HD2 TYR A 505 -6.041 3.052 16.378 1.00 0.00 H new ATOM 0 HE1 TYR A 505 -5.403 -1.389 18.394 1.00 0.00 H new ATOM 0 HE2 TYR A 505 -4.236 2.694 18.003 1.00 0.00 H new ATOM 0 HH TYR A 505 -3.207 1.265 19.339 1.00 0.00 H new ATOM 1286 N VAL A 506 -9.081 3.145 17.472 1.00 0.00 N ATOM 1287 CA VAL A 506 -9.063 3.886 18.727 1.00 0.00 C ATOM 1288 C VAL A 506 -10.415 3.814 19.428 1.00 0.00 C ATOM 1289 O VAL A 506 -10.486 3.696 20.651 1.00 0.00 O ATOM 1290 CB VAL A 506 -8.693 5.364 18.501 1.00 0.00 C ATOM 1291 CG1 VAL A 506 -7.264 5.486 17.995 1.00 0.00 C ATOM 1292 CG2 VAL A 506 -9.668 6.015 17.531 1.00 0.00 C ATOM 0 H VAL A 506 -8.940 3.719 16.641 1.00 0.00 H new ATOM 0 HA VAL A 506 -8.305 3.421 19.357 1.00 0.00 H new ATOM 0 HB VAL A 506 -8.761 5.887 19.455 1.00 0.00 H new ATOM 0 HG11 VAL A 506 -7.021 6.537 17.841 1.00 0.00 H new ATOM 0 HG12 VAL A 506 -6.580 5.059 18.729 1.00 0.00 H new ATOM 0 HG13 VAL A 506 -7.165 4.949 17.052 1.00 0.00 H new ATOM 0 HG21 VAL A 506 -9.392 7.059 17.383 1.00 0.00 H new ATOM 0 HG22 VAL A 506 -9.635 5.492 16.575 1.00 0.00 H new ATOM 0 HG23 VAL A 506 -10.677 5.961 17.939 1.00 0.00 H new