USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 586 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 Single : A 19 THR OG1 : rot -53:sc= 0.741 USER MOD Single : A 21 LYS NZ :NH3+ -169:sc= -0.0217 (180deg=-0.148) USER MOD Single : A 25 ASN : amide:sc= 0.822 K(o=0.82,f=0) USER MOD Single : A 26 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.37) USER MOD Single : A 27 TYR OH : rot 165:sc=-0.00354 USER MOD Single : A 29 SER OG : rot -75:sc= 0.719 USER MOD Single : A 30 LYS NZ :NH3+ -170:sc= -0.0082 (180deg=-0.137) USER MOD Single : A 40 ASN : amide:sc= -0.849 K(o=-0.85,f=-2.2!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 178:sc= 0.754 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0528 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.212 K(o=-0.21,f=-0.95) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.915 USER MOD Single : A 73 ASN : amide:sc= -0.0146 K(o=-0.015,f=-1.4) USER MOD Single : A 76 THR OG1 : rot 78:sc= 0.624 USER MOD Single : A 78 GLN : amide:sc= -1.18 K(o=-1.2,f=-3.1) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 87 ASN : amide:sc= -0.0215 K(o=-0.022,f=-1.6!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 245 N ARG A 16 4.093 12.748 5.467 1.00 0.00 N ATOM 246 CA ARG A 16 3.443 13.323 4.272 1.00 0.00 C ATOM 247 C ARG A 16 2.207 12.510 3.876 1.00 0.00 C ATOM 248 O ARG A 16 2.266 11.285 3.807 1.00 0.00 O ATOM 249 CB ARG A 16 4.421 13.381 3.064 1.00 0.00 C ATOM 250 CG ARG A 16 5.555 14.418 3.179 1.00 0.00 C ATOM 251 CD ARG A 16 6.436 14.432 1.912 1.00 0.00 C ATOM 252 NE ARG A 16 5.630 14.611 0.683 1.00 0.00 N ATOM 253 CZ ARG A 16 5.776 13.929 -0.475 1.00 0.00 C ATOM 254 NH1 ARG A 16 6.720 12.994 -0.616 1.00 0.00 N ATOM 255 NH2 ARG A 16 4.944 14.176 -1.483 1.00 0.00 N ATOM 0 HA ARG A 16 3.142 14.338 4.532 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.866 12.395 2.931 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.846 13.595 2.163 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.129 15.409 3.339 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.171 14.191 4.050 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.168 15.236 1.987 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.995 13.498 1.847 1.00 0.00 H new ATOM 0 HE ARG A 16 4.894 15.317 0.713 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.348 12.783 0.159 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.812 12.492 -1.499 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.207 14.873 -1.377 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.043 13.668 -2.362 1.00 0.00 H new ATOM 269 N GLU A 17 1.092 13.194 3.612 1.00 0.00 N ATOM 270 CA GLU A 17 -0.048 12.578 2.937 1.00 0.00 C ATOM 271 C GLU A 17 0.250 12.548 1.428 1.00 0.00 C ATOM 272 O GLU A 17 0.304 13.591 0.777 1.00 0.00 O ATOM 273 CB GLU A 17 -1.367 13.346 3.194 1.00 0.00 C ATOM 274 CG GLU A 17 -2.605 12.642 2.591 1.00 0.00 C ATOM 275 CD GLU A 17 -3.775 13.592 2.316 1.00 0.00 C ATOM 276 OE1 GLU A 17 -4.460 13.994 3.268 1.00 0.00 O ATOM 277 OE2 GLU A 17 -4.025 13.935 1.137 1.00 0.00 O ATOM 0 H GLU A 17 0.956 14.175 3.856 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.184 11.571 3.332 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.510 13.462 4.268 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.285 14.348 2.773 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.318 12.153 1.660 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.936 11.859 3.273 1.00 0.00 H new ATOM 284 N ILE A 18 0.461 11.356 0.893 1.00 0.00 N ATOM 285 CA ILE A 18 0.724 11.132 -0.532 1.00 0.00 C ATOM 286 C ILE A 18 -0.572 10.756 -1.269 1.00 0.00 C ATOM 287 O ILE A 18 -1.626 10.590 -0.643 1.00 0.00 O ATOM 288 CB ILE A 18 1.781 9.988 -0.712 1.00 0.00 C ATOM 289 CG1 ILE A 18 1.263 8.653 -0.066 1.00 0.00 C ATOM 290 CG2 ILE A 18 3.157 10.416 -0.132 1.00 0.00 C ATOM 291 CD1 ILE A 18 2.178 7.463 -0.228 1.00 0.00 C ATOM 0 H ILE A 18 0.456 10.496 1.442 1.00 0.00 H new ATOM 0 HA ILE A 18 1.116 12.056 -0.957 1.00 0.00 H new ATOM 0 HB ILE A 18 1.921 9.804 -1.777 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.099 8.823 0.998 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.295 8.409 -0.503 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.876 9.608 -0.267 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.510 11.307 -0.652 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.052 10.634 0.931 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.731 6.592 0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.324 7.258 -1.289 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.141 7.678 0.236 1.00 0.00 H new ATOM 303 N THR A 19 -0.482 10.640 -2.601 1.00 0.00 N ATOM 304 CA THR A 19 -1.527 10.022 -3.430 1.00 0.00 C ATOM 305 C THR A 19 -1.129 8.557 -3.728 1.00 0.00 C ATOM 306 O THR A 19 0.014 8.151 -3.452 1.00 0.00 O ATOM 307 CB THR A 19 -1.732 10.807 -4.774 1.00 0.00 C ATOM 308 OG1 THR A 19 -0.534 10.788 -5.578 1.00 0.00 O ATOM 309 CG2 THR A 19 -2.157 12.263 -4.533 1.00 0.00 C ATOM 0 H THR A 19 0.320 10.973 -3.136 1.00 0.00 H new ATOM 0 HA THR A 19 -2.470 10.052 -2.884 1.00 0.00 H new ATOM 0 HB THR A 19 -2.534 10.297 -5.308 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.223 11.110 -5.045 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.287 12.767 -5.491 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.098 12.281 -3.983 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.388 12.775 -3.955 1.00 0.00 H new ATOM 317 N TRP A 20 -2.085 7.774 -4.276 1.00 0.00 N ATOM 318 CA TRP A 20 -1.849 6.377 -4.725 1.00 0.00 C ATOM 319 C TRP A 20 -0.681 6.316 -5.740 1.00 0.00 C ATOM 320 O TRP A 20 0.114 5.372 -5.722 1.00 0.00 O ATOM 321 CB TRP A 20 -3.151 5.780 -5.340 1.00 0.00 C ATOM 322 CG TRP A 20 -3.043 4.355 -5.845 1.00 0.00 C ATOM 323 CD1 TRP A 20 -2.742 3.952 -7.115 1.00 0.00 C ATOM 324 CD2 TRP A 20 -3.259 3.157 -5.094 1.00 0.00 C ATOM 325 NE1 TRP A 20 -2.754 2.586 -7.191 1.00 0.00 N ATOM 326 CE2 TRP A 20 -3.078 2.074 -5.968 1.00 0.00 C ATOM 327 CE3 TRP A 20 -3.590 2.899 -3.771 1.00 0.00 C ATOM 328 CZ2 TRP A 20 -3.217 0.756 -5.560 1.00 0.00 C ATOM 329 CZ3 TRP A 20 -3.721 1.592 -3.368 1.00 0.00 C ATOM 330 CH2 TRP A 20 -3.539 0.532 -4.255 1.00 0.00 C ATOM 0 H TRP A 20 -3.044 8.090 -4.421 1.00 0.00 H new ATOM 0 HA TRP A 20 -1.571 5.777 -3.858 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.939 5.821 -4.588 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.466 6.417 -6.167 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -2.526 4.615 -7.939 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -2.553 2.038 -8.028 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -3.741 3.709 -3.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -3.075 -0.062 -6.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.971 1.381 -2.339 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.655 -0.482 -3.902 1.00 0.00 H new ATOM 341 N LYS A 21 -0.595 7.343 -6.606 1.00 0.00 N ATOM 342 CA LYS A 21 0.491 7.484 -7.601 1.00 0.00 C ATOM 343 C LYS A 21 1.885 7.469 -6.931 1.00 0.00 C ATOM 344 O LYS A 21 2.765 6.711 -7.349 1.00 0.00 O ATOM 345 CB LYS A 21 0.280 8.778 -8.437 1.00 0.00 C ATOM 346 CG LYS A 21 1.293 8.985 -9.587 1.00 0.00 C ATOM 347 CD LYS A 21 1.020 10.288 -10.381 1.00 0.00 C ATOM 348 CE LYS A 21 2.061 10.555 -11.477 1.00 0.00 C ATOM 349 NZ LYS A 21 3.435 10.670 -10.923 1.00 0.00 N ATOM 0 H LYS A 21 -1.277 8.101 -6.638 1.00 0.00 H new ATOM 0 HA LYS A 21 0.454 6.625 -8.272 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.726 8.761 -8.857 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.332 9.637 -7.768 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.303 9.016 -9.178 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.249 8.133 -10.265 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.031 10.229 -10.835 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.004 11.131 -9.690 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.032 9.748 -12.209 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.805 11.474 -12.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.076 11.032 -11.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.430 11.325 -10.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.762 9.734 -10.608 1.00 0.00 H new ATOM 363 N ASP A 22 2.065 8.275 -5.863 1.00 0.00 N ATOM 364 CA ASP A 22 3.339 8.315 -5.102 1.00 0.00 C ATOM 365 C ASP A 22 3.594 6.986 -4.405 1.00 0.00 C ATOM 366 O ASP A 22 4.720 6.484 -4.403 1.00 0.00 O ATOM 367 CB ASP A 22 3.336 9.426 -4.034 1.00 0.00 C ATOM 368 CG ASP A 22 3.018 10.803 -4.607 1.00 0.00 C ATOM 369 OD1 ASP A 22 3.817 11.322 -5.407 1.00 0.00 O ATOM 370 OD2 ASP A 22 1.957 11.366 -4.287 1.00 0.00 O ATOM 0 H ASP A 22 1.348 8.907 -5.506 1.00 0.00 H new ATOM 0 HA ASP A 22 4.126 8.519 -5.828 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.604 9.181 -3.265 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.311 9.457 -3.548 1.00 0.00 H new ATOM 375 N PHE A 23 2.513 6.436 -3.822 1.00 0.00 N ATOM 376 CA PHE A 23 2.521 5.147 -3.118 1.00 0.00 C ATOM 377 C PHE A 23 3.168 4.054 -3.975 1.00 0.00 C ATOM 378 O PHE A 23 4.025 3.323 -3.497 1.00 0.00 O ATOM 379 CB PHE A 23 1.071 4.741 -2.703 1.00 0.00 C ATOM 380 CG PHE A 23 0.913 3.269 -2.300 1.00 0.00 C ATOM 381 CD1 PHE A 23 1.692 2.727 -1.282 1.00 0.00 C ATOM 382 CD2 PHE A 23 0.017 2.432 -2.961 1.00 0.00 C ATOM 383 CE1 PHE A 23 1.581 1.406 -0.941 1.00 0.00 C ATOM 384 CE2 PHE A 23 -0.100 1.104 -2.608 1.00 0.00 C ATOM 385 CZ PHE A 23 0.685 0.592 -1.600 1.00 0.00 C ATOM 0 H PHE A 23 1.597 6.884 -3.829 1.00 0.00 H new ATOM 0 HA PHE A 23 3.119 5.259 -2.214 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.756 5.369 -1.869 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.397 4.952 -3.533 1.00 0.00 H new ATOM 0 HD1 PHE A 23 2.393 3.357 -0.754 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.593 2.828 -3.759 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.198 1.000 -0.153 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.806 0.467 -3.121 1.00 0.00 H new ATOM 0 HZ PHE A 23 0.599 -0.449 -1.325 1.00 0.00 H new ATOM 395 N VAL A 24 2.749 3.966 -5.236 1.00 0.00 N ATOM 396 CA VAL A 24 3.245 2.955 -6.161 1.00 0.00 C ATOM 397 C VAL A 24 4.691 3.260 -6.579 1.00 0.00 C ATOM 398 O VAL A 24 5.603 2.499 -6.259 1.00 0.00 O ATOM 399 CB VAL A 24 2.322 2.862 -7.426 1.00 0.00 C ATOM 400 CG1 VAL A 24 2.851 1.811 -8.438 1.00 0.00 C ATOM 401 CG2 VAL A 24 0.855 2.577 -7.001 1.00 0.00 C ATOM 0 H VAL A 24 2.056 4.594 -5.643 1.00 0.00 H new ATOM 0 HA VAL A 24 3.230 1.993 -5.649 1.00 0.00 H new ATOM 0 HB VAL A 24 2.340 3.823 -7.939 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.188 1.772 -9.302 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.854 2.090 -8.762 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.883 0.831 -7.961 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.225 2.515 -7.888 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.810 1.633 -6.457 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.499 3.383 -6.359 1.00 0.00 H new ATOM 411 N ASN A 25 4.893 4.410 -7.235 1.00 0.00 N ATOM 412 CA ASN A 25 6.151 4.724 -7.939 1.00 0.00 C ATOM 413 C ASN A 25 7.306 4.962 -6.959 1.00 0.00 C ATOM 414 O ASN A 25 8.364 4.335 -7.073 1.00 0.00 O ATOM 415 CB ASN A 25 5.979 5.963 -8.858 1.00 0.00 C ATOM 416 CG ASN A 25 5.096 5.685 -10.078 1.00 0.00 C ATOM 417 OD1 ASN A 25 5.586 5.279 -11.134 1.00 0.00 O ATOM 418 ND2 ASN A 25 3.803 5.912 -9.954 1.00 0.00 N ATOM 0 H ASN A 25 4.193 5.150 -7.295 1.00 0.00 H new ATOM 0 HA ASN A 25 6.397 3.857 -8.552 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.545 6.779 -8.281 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.960 6.298 -9.195 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.179 5.752 -10.745 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.427 6.248 -9.067 1.00 0.00 H new ATOM 425 N ASN A 26 7.094 5.860 -5.989 1.00 0.00 N ATOM 426 CA ASN A 26 8.161 6.337 -5.093 1.00 0.00 C ATOM 427 C ASN A 26 8.452 5.339 -3.959 1.00 0.00 C ATOM 428 O ASN A 26 9.508 5.416 -3.340 1.00 0.00 O ATOM 429 CB ASN A 26 7.762 7.722 -4.497 1.00 0.00 C ATOM 430 CG ASN A 26 7.453 8.790 -5.566 1.00 0.00 C ATOM 431 OD1 ASN A 26 6.550 9.608 -5.393 1.00 0.00 O ATOM 432 ND2 ASN A 26 8.210 8.815 -6.662 1.00 0.00 N ATOM 0 H ASN A 26 6.182 6.277 -5.801 1.00 0.00 H new ATOM 0 HA ASN A 26 9.073 6.435 -5.682 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.887 7.595 -3.859 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.571 8.081 -3.861 1.00 0.00 H new ATOM 0 HD21 ASN A 26 8.047 9.522 -7.379 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.953 8.127 -6.784 1.00 0.00 H new ATOM 439 N TYR A 27 7.506 4.414 -3.662 1.00 0.00 N ATOM 440 CA TYR A 27 7.620 3.532 -2.477 1.00 0.00 C ATOM 441 C TYR A 27 7.499 2.025 -2.827 1.00 0.00 C ATOM 442 O TYR A 27 8.487 1.281 -2.734 1.00 0.00 O ATOM 443 CB TYR A 27 6.570 3.947 -1.397 1.00 0.00 C ATOM 444 CG TYR A 27 6.623 5.443 -1.013 1.00 0.00 C ATOM 445 CD1 TYR A 27 7.684 5.967 -0.269 1.00 0.00 C ATOM 446 CD2 TYR A 27 5.623 6.329 -1.412 1.00 0.00 C ATOM 447 CE1 TYR A 27 7.733 7.313 0.064 1.00 0.00 C ATOM 448 CE2 TYR A 27 5.670 7.669 -1.085 1.00 0.00 C ATOM 449 CZ TYR A 27 6.724 8.158 -0.348 1.00 0.00 C ATOM 450 OH TYR A 27 6.763 9.498 -0.014 1.00 0.00 O ATOM 0 H TYR A 27 6.666 4.261 -4.220 1.00 0.00 H new ATOM 0 HA TYR A 27 8.623 3.666 -2.072 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.572 3.712 -1.766 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.728 3.346 -0.501 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.480 5.312 0.053 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.791 5.957 -1.991 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.559 7.698 0.644 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.881 8.332 -1.407 1.00 0.00 H new ATOM 0 HH TYR A 27 6.120 9.991 -0.565 1.00 0.00 H new ATOM 460 N LEU A 28 6.286 1.587 -3.213 1.00 0.00 N ATOM 461 CA LEU A 28 5.927 0.149 -3.304 1.00 0.00 C ATOM 462 C LEU A 28 6.752 -0.613 -4.363 1.00 0.00 C ATOM 463 O LEU A 28 7.219 -1.729 -4.108 1.00 0.00 O ATOM 464 CB LEU A 28 4.409 -0.041 -3.576 1.00 0.00 C ATOM 465 CG LEU A 28 3.887 -1.505 -3.377 1.00 0.00 C ATOM 466 CD1 LEU A 28 4.001 -1.947 -1.899 1.00 0.00 C ATOM 467 CD2 LEU A 28 2.447 -1.679 -3.895 1.00 0.00 C ATOM 0 H LEU A 28 5.525 2.215 -3.471 1.00 0.00 H new ATOM 0 HA LEU A 28 6.171 -0.279 -2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.850 0.623 -2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.195 0.271 -4.598 1.00 0.00 H new ATOM 0 HG LEU A 28 4.527 -2.154 -3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.631 -2.967 -1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.044 -1.906 -1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.408 -1.280 -1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.125 -2.708 -3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.782 -1.004 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.413 -1.447 -4.960 1.00 0.00 H new ATOM 479 N SER A 29 6.931 -0.003 -5.545 1.00 0.00 N ATOM 480 CA SER A 29 7.695 -0.609 -6.652 1.00 0.00 C ATOM 481 C SER A 29 9.216 -0.598 -6.378 1.00 0.00 C ATOM 482 O SER A 29 9.982 -1.240 -7.095 1.00 0.00 O ATOM 483 CB SER A 29 7.367 0.115 -7.977 1.00 0.00 C ATOM 484 OG SER A 29 7.736 1.484 -7.924 1.00 0.00 O ATOM 0 H SER A 29 6.553 0.919 -5.762 1.00 0.00 H new ATOM 0 HA SER A 29 7.396 -1.654 -6.735 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.890 -0.373 -8.799 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.300 0.032 -8.184 1.00 0.00 H new ATOM 0 HG SER A 29 7.088 1.977 -7.379 1.00 0.00 H new ATOM 490 N LYS A 30 9.648 0.140 -5.341 1.00 0.00 N ATOM 491 CA LYS A 30 11.046 0.132 -4.869 1.00 0.00 C ATOM 492 C LYS A 30 11.235 -0.908 -3.751 1.00 0.00 C ATOM 493 O LYS A 30 12.370 -1.189 -3.357 1.00 0.00 O ATOM 494 CB LYS A 30 11.458 1.538 -4.359 1.00 0.00 C ATOM 495 CG LYS A 30 11.556 2.608 -5.462 1.00 0.00 C ATOM 496 CD LYS A 30 11.987 3.985 -4.915 1.00 0.00 C ATOM 497 CE LYS A 30 12.181 5.016 -6.030 1.00 0.00 C ATOM 498 NZ LYS A 30 13.285 4.645 -6.958 1.00 0.00 N ATOM 0 H LYS A 30 9.039 0.759 -4.806 1.00 0.00 H new ATOM 0 HA LYS A 30 11.685 -0.138 -5.710 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.735 1.867 -3.613 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.422 1.461 -3.857 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.270 2.281 -6.218 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.590 2.704 -5.957 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.235 4.347 -4.215 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.917 3.877 -4.356 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.254 5.116 -6.594 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.393 5.990 -5.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.491 5.445 -7.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.136 4.409 -6.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.000 3.821 -7.525 1.00 0.00 H new ATOM 512 N GLY A 31 10.119 -1.481 -3.258 1.00 0.00 N ATOM 513 CA GLY A 31 10.137 -2.409 -2.123 1.00 0.00 C ATOM 514 C GLY A 31 10.679 -1.802 -0.832 1.00 0.00 C ATOM 515 O GLY A 31 11.200 -2.521 0.018 1.00 0.00 O ATOM 0 H GLY A 31 9.187 -1.311 -3.637 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.124 -2.769 -1.945 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.742 -3.277 -2.386 1.00 0.00 H new ATOM 519 N VAL A 32 10.532 -0.469 -0.673 1.00 0.00 N ATOM 520 CA VAL A 32 10.947 0.236 0.568 1.00 0.00 C ATOM 521 C VAL A 32 9.814 0.213 1.606 1.00 0.00 C ATOM 522 O VAL A 32 9.912 0.841 2.661 1.00 0.00 O ATOM 523 CB VAL A 32 11.400 1.714 0.291 1.00 0.00 C ATOM 524 CG1 VAL A 32 12.521 1.749 -0.768 1.00 0.00 C ATOM 525 CG2 VAL A 32 10.209 2.620 -0.103 1.00 0.00 C ATOM 0 H VAL A 32 10.131 0.143 -1.384 1.00 0.00 H new ATOM 0 HA VAL A 32 11.809 -0.299 0.966 1.00 0.00 H new ATOM 0 HB VAL A 32 11.802 2.118 1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.821 2.782 -0.946 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.378 1.179 -0.410 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.157 1.311 -1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.567 3.633 -0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.741 2.232 -1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.479 2.634 0.706 1.00 0.00 H new ATOM 535 N VAL A 33 8.742 -0.527 1.291 1.00 0.00 N ATOM 536 CA VAL A 33 7.582 -0.695 2.160 1.00 0.00 C ATOM 537 C VAL A 33 7.713 -2.024 2.915 1.00 0.00 C ATOM 538 O VAL A 33 7.900 -3.080 2.299 1.00 0.00 O ATOM 539 CB VAL A 33 6.236 -0.675 1.335 1.00 0.00 C ATOM 540 CG1 VAL A 33 4.994 -0.723 2.258 1.00 0.00 C ATOM 541 CG2 VAL A 33 6.183 0.552 0.400 1.00 0.00 C ATOM 0 H VAL A 33 8.661 -1.032 0.409 1.00 0.00 H new ATOM 0 HA VAL A 33 7.551 0.136 2.864 1.00 0.00 H new ATOM 0 HB VAL A 33 6.217 -1.575 0.720 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.089 -0.707 1.651 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.017 -1.637 2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.000 0.141 2.922 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.247 0.544 -0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.244 1.464 0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.021 0.515 -0.297 1.00 0.00 H new ATOM 551 N ASP A 34 7.626 -1.946 4.243 1.00 0.00 N ATOM 552 CA ASP A 34 7.557 -3.106 5.136 1.00 0.00 C ATOM 553 C ASP A 34 6.136 -3.666 5.082 1.00 0.00 C ATOM 554 O ASP A 34 5.915 -4.835 4.762 1.00 0.00 O ATOM 555 CB ASP A 34 7.887 -2.652 6.596 1.00 0.00 C ATOM 556 CG ASP A 34 7.802 -3.751 7.666 1.00 0.00 C ATOM 557 OD1 ASP A 34 8.737 -4.575 7.758 1.00 0.00 O ATOM 558 OD2 ASP A 34 6.809 -3.793 8.419 1.00 0.00 O ATOM 0 H ASP A 34 7.601 -1.056 4.740 1.00 0.00 H new ATOM 0 HA ASP A 34 8.273 -3.868 4.828 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.893 -2.234 6.609 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.204 -1.848 6.871 1.00 0.00 H new ATOM 563 N ARG A 35 5.174 -2.766 5.343 1.00 0.00 N ATOM 564 CA ARG A 35 3.794 -3.132 5.661 1.00 0.00 C ATOM 565 C ARG A 35 2.824 -1.991 5.305 1.00 0.00 C ATOM 566 O ARG A 35 3.209 -0.818 5.269 1.00 0.00 O ATOM 567 CB ARG A 35 3.750 -3.460 7.174 1.00 0.00 C ATOM 568 CG ARG A 35 2.403 -3.927 7.747 1.00 0.00 C ATOM 569 CD ARG A 35 2.532 -4.282 9.237 1.00 0.00 C ATOM 570 NE ARG A 35 3.006 -3.134 10.035 1.00 0.00 N ATOM 571 CZ ARG A 35 4.005 -3.156 10.933 1.00 0.00 C ATOM 572 NH1 ARG A 35 4.677 -4.273 11.178 1.00 0.00 N ATOM 573 NH2 ARG A 35 4.318 -2.045 11.573 1.00 0.00 N ATOM 0 H ARG A 35 5.338 -1.759 5.338 1.00 0.00 H new ATOM 0 HA ARG A 35 3.478 -3.996 5.076 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.490 -4.234 7.375 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.062 -2.571 7.723 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.658 -3.142 7.620 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.049 -4.796 7.192 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.566 -4.614 9.616 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.224 -5.116 9.353 1.00 0.00 H new ATOM 0 HE ARG A 35 2.532 -2.243 9.891 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.438 -5.131 10.682 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.433 -4.274 11.863 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.804 -1.185 11.383 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.074 -2.047 12.258 1.00 0.00 H new ATOM 587 N LEU A 36 1.572 -2.362 5.018 1.00 0.00 N ATOM 588 CA LEU A 36 0.464 -1.438 4.746 1.00 0.00 C ATOM 589 C LEU A 36 -0.555 -1.559 5.872 1.00 0.00 C ATOM 590 O LEU A 36 -1.084 -2.645 6.119 1.00 0.00 O ATOM 591 CB LEU A 36 -0.187 -1.770 3.380 1.00 0.00 C ATOM 592 CG LEU A 36 0.753 -1.606 2.157 1.00 0.00 C ATOM 593 CD1 LEU A 36 0.047 -2.006 0.848 1.00 0.00 C ATOM 594 CD2 LEU A 36 1.322 -0.168 2.096 1.00 0.00 C ATOM 0 H LEU A 36 1.293 -3.342 4.967 1.00 0.00 H new ATOM 0 HA LEU A 36 0.835 -0.414 4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.551 -2.797 3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.056 -1.127 3.242 1.00 0.00 H new ATOM 0 HG LEU A 36 1.595 -2.287 2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.734 -1.879 0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.265 -3.049 0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.828 -1.373 0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.979 -0.073 1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.502 0.544 2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.887 0.039 3.005 1.00 0.00 H new ATOM 606 N GLU A 37 -0.802 -0.454 6.575 1.00 0.00 N ATOM 607 CA GLU A 37 -1.707 -0.417 7.730 1.00 0.00 C ATOM 608 C GLU A 37 -2.951 0.403 7.402 1.00 0.00 C ATOM 609 O GLU A 37 -2.893 1.626 7.356 1.00 0.00 O ATOM 610 CB GLU A 37 -0.957 0.150 8.966 1.00 0.00 C ATOM 611 CG GLU A 37 0.111 -0.812 9.523 1.00 0.00 C ATOM 612 CD GLU A 37 0.972 -0.217 10.642 1.00 0.00 C ATOM 613 OE1 GLU A 37 0.422 0.343 11.613 1.00 0.00 O ATOM 614 OE2 GLU A 37 2.205 -0.346 10.576 1.00 0.00 O ATOM 0 H GLU A 37 -0.378 0.448 6.360 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.035 -1.429 7.968 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.481 1.092 8.693 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.680 0.373 9.751 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.384 -1.708 9.898 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.762 -1.126 8.707 1.00 0.00 H new ATOM 621 N VAL A 38 -4.087 -0.279 7.204 1.00 0.00 N ATOM 622 CA VAL A 38 -5.347 0.380 6.847 1.00 0.00 C ATOM 623 C VAL A 38 -5.966 0.910 8.143 1.00 0.00 C ATOM 624 O VAL A 38 -6.543 0.141 8.915 1.00 0.00 O ATOM 625 CB VAL A 38 -6.339 -0.600 6.118 1.00 0.00 C ATOM 626 CG1 VAL A 38 -7.621 0.134 5.667 1.00 0.00 C ATOM 627 CG2 VAL A 38 -5.652 -1.322 4.936 1.00 0.00 C ATOM 0 H VAL A 38 -4.157 -1.293 7.286 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.151 1.192 6.146 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.635 -1.364 6.836 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.286 -0.570 5.167 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.125 0.554 6.537 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.358 0.937 4.978 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.365 -1.991 4.454 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.301 -0.585 4.214 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.805 -1.900 5.305 1.00 0.00 H new ATOM 637 N VAL A 39 -5.769 2.206 8.416 1.00 0.00 N ATOM 638 CA VAL A 39 -6.145 2.813 9.688 1.00 0.00 C ATOM 639 C VAL A 39 -7.544 3.459 9.587 1.00 0.00 C ATOM 640 O VAL A 39 -7.784 4.316 8.726 1.00 0.00 O ATOM 641 CB VAL A 39 -5.070 3.863 10.156 1.00 0.00 C ATOM 642 CG1 VAL A 39 -5.433 4.474 11.527 1.00 0.00 C ATOM 643 CG2 VAL A 39 -3.646 3.241 10.186 1.00 0.00 C ATOM 0 H VAL A 39 -5.344 2.859 7.758 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.186 2.026 10.441 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.068 4.670 9.423 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.669 5.194 11.818 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.398 4.977 11.457 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.489 3.683 12.275 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.928 3.993 10.513 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.631 2.399 10.878 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.379 2.895 9.188 1.00 0.00 H new ATOM 653 N ASN A 40 -8.455 3.000 10.471 1.00 0.00 N ATOM 654 CA ASN A 40 -9.835 3.525 10.630 1.00 0.00 C ATOM 655 C ASN A 40 -10.688 3.406 9.350 1.00 0.00 C ATOM 656 O ASN A 40 -11.747 4.029 9.265 1.00 0.00 O ATOM 657 CB ASN A 40 -9.823 4.999 11.153 1.00 0.00 C ATOM 658 CG ASN A 40 -9.240 5.151 12.564 1.00 0.00 C ATOM 659 OD1 ASN A 40 -8.399 4.370 12.988 1.00 0.00 O ATOM 660 ND2 ASN A 40 -9.687 6.156 13.305 1.00 0.00 N ATOM 0 H ASN A 40 -8.249 2.234 11.112 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.311 2.890 11.377 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.246 5.615 10.463 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -10.842 5.385 11.148 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.329 6.291 14.251 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -10.389 6.794 12.929 1.00 0.00 H new ATOM 667 N LYS A 41 -10.226 2.585 8.380 1.00 0.00 N ATOM 668 CA LYS A 41 -10.843 2.399 7.036 1.00 0.00 C ATOM 669 C LYS A 41 -10.780 3.689 6.158 1.00 0.00 C ATOM 670 O LYS A 41 -11.176 3.658 4.984 1.00 0.00 O ATOM 671 CB LYS A 41 -12.317 1.885 7.154 1.00 0.00 C ATOM 672 CG LYS A 41 -12.507 0.618 8.026 1.00 0.00 C ATOM 673 CD LYS A 41 -14.004 0.273 8.240 1.00 0.00 C ATOM 674 CE LYS A 41 -14.224 -0.880 9.230 1.00 0.00 C ATOM 675 NZ LYS A 41 -13.590 -2.147 8.786 1.00 0.00 N ATOM 0 H LYS A 41 -9.390 2.015 8.509 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.248 1.639 6.529 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.932 2.685 7.566 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.693 1.677 6.152 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.006 -0.226 7.552 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.029 0.770 8.994 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.526 1.159 8.602 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.450 0.010 7.281 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.822 -0.599 10.203 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -15.294 -1.041 9.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.770 -2.891 9.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.991 -2.434 7.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.565 -2.006 8.686 1.00 0.00 H new ATOM 689 N ARG A 42 -10.254 4.793 6.721 1.00 0.00 N ATOM 690 CA ARG A 42 -10.262 6.129 6.090 1.00 0.00 C ATOM 691 C ARG A 42 -9.034 6.293 5.202 1.00 0.00 C ATOM 692 O ARG A 42 -9.086 6.958 4.161 1.00 0.00 O ATOM 693 CB ARG A 42 -10.275 7.226 7.184 1.00 0.00 C ATOM 694 CG ARG A 42 -11.446 7.115 8.179 1.00 0.00 C ATOM 695 CD ARG A 42 -11.357 8.123 9.333 1.00 0.00 C ATOM 696 NE ARG A 42 -12.365 7.848 10.373 1.00 0.00 N ATOM 697 CZ ARG A 42 -12.240 8.168 11.669 1.00 0.00 C ATOM 698 NH1 ARG A 42 -11.138 8.762 12.117 1.00 0.00 N ATOM 699 NH2 ARG A 42 -13.189 7.833 12.529 1.00 0.00 N ATOM 0 H ARG A 42 -9.806 4.784 7.637 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.157 6.228 5.476 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.337 7.181 7.738 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.314 8.203 6.702 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.384 7.266 7.645 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.472 6.105 8.588 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.360 8.086 9.773 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.498 9.132 8.947 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.223 7.378 10.085 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.377 8.979 11.473 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.053 9.001 13.105 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.016 7.331 12.206 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.093 8.077 13.515 1.00 0.00 H new ATOM 713 N PHE A 43 -7.935 5.654 5.619 1.00 0.00 N ATOM 714 CA PHE A 43 -6.642 5.769 4.952 1.00 0.00 C ATOM 715 C PHE A 43 -5.794 4.523 5.210 1.00 0.00 C ATOM 716 O PHE A 43 -6.158 3.658 6.012 1.00 0.00 O ATOM 717 CB PHE A 43 -5.885 7.062 5.392 1.00 0.00 C ATOM 718 CG PHE A 43 -5.500 7.166 6.877 1.00 0.00 C ATOM 719 CD1 PHE A 43 -6.444 7.539 7.829 1.00 0.00 C ATOM 720 CD2 PHE A 43 -4.190 6.931 7.309 1.00 0.00 C ATOM 721 CE1 PHE A 43 -6.099 7.670 9.160 1.00 0.00 C ATOM 722 CE2 PHE A 43 -3.844 7.072 8.640 1.00 0.00 C ATOM 723 CZ PHE A 43 -4.801 7.443 9.566 1.00 0.00 C ATOM 0 H PHE A 43 -7.922 5.040 6.434 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.823 5.847 3.880 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.974 7.142 4.798 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.506 7.922 5.141 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.462 7.729 7.522 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.438 6.635 6.592 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.848 7.951 9.885 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.827 6.892 8.956 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.532 7.555 10.606 1.00 0.00 H new ATOM 733 N VAL A 44 -4.666 4.446 4.497 1.00 0.00 N ATOM 734 CA VAL A 44 -3.671 3.380 4.638 1.00 0.00 C ATOM 735 C VAL A 44 -2.311 4.047 4.821 1.00 0.00 C ATOM 736 O VAL A 44 -1.975 4.977 4.076 1.00 0.00 O ATOM 737 CB VAL A 44 -3.623 2.425 3.384 1.00 0.00 C ATOM 738 CG1 VAL A 44 -2.599 1.281 3.589 1.00 0.00 C ATOM 739 CG2 VAL A 44 -5.026 1.876 3.050 1.00 0.00 C ATOM 0 H VAL A 44 -4.415 5.138 3.791 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.940 2.760 5.493 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.288 3.013 2.529 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.589 0.640 2.708 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.606 1.704 3.741 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.880 0.693 4.463 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.963 1.221 2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.409 1.314 3.902 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.699 2.705 2.831 1.00 0.00 H new ATOM 749 N ARG A 45 -1.535 3.572 5.795 1.00 0.00 N ATOM 750 CA ARG A 45 -0.219 4.115 6.089 1.00 0.00 C ATOM 751 C ARG A 45 0.830 3.212 5.446 1.00 0.00 C ATOM 752 O ARG A 45 0.799 1.985 5.606 1.00 0.00 O ATOM 753 CB ARG A 45 0.030 4.223 7.618 1.00 0.00 C ATOM 754 CG ARG A 45 1.305 5.028 7.976 1.00 0.00 C ATOM 755 CD ARG A 45 1.676 4.964 9.466 1.00 0.00 C ATOM 756 NE ARG A 45 2.187 3.635 9.861 1.00 0.00 N ATOM 757 CZ ARG A 45 2.743 3.347 11.051 1.00 0.00 C ATOM 758 NH1 ARG A 45 2.853 4.281 11.987 1.00 0.00 N ATOM 759 NH2 ARG A 45 3.193 2.127 11.287 1.00 0.00 N ATOM 0 H ARG A 45 -1.807 2.798 6.401 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.154 5.124 5.682 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.833 4.695 8.087 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.112 3.220 8.037 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.140 4.651 7.386 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.158 6.070 7.691 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.431 5.720 9.683 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.800 5.207 10.067 1.00 0.00 H new ATOM 0 HE ARG A 45 2.112 2.879 9.180 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.514 5.226 11.807 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.276 4.054 12.887 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.118 1.408 10.568 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.615 1.905 12.188 1.00 0.00 H new ATOM 773 N VAL A 46 1.737 3.849 4.724 1.00 0.00 N ATOM 774 CA VAL A 46 2.906 3.206 4.153 1.00 0.00 C ATOM 775 C VAL A 46 3.966 3.148 5.264 1.00 0.00 C ATOM 776 O VAL A 46 4.535 4.182 5.656 1.00 0.00 O ATOM 777 CB VAL A 46 3.442 4.018 2.915 1.00 0.00 C ATOM 778 CG1 VAL A 46 4.640 3.318 2.239 1.00 0.00 C ATOM 779 CG2 VAL A 46 2.303 4.298 1.902 1.00 0.00 C ATOM 0 H VAL A 46 1.679 4.846 4.515 1.00 0.00 H new ATOM 0 HA VAL A 46 2.662 2.206 3.794 1.00 0.00 H new ATOM 0 HB VAL A 46 3.806 4.976 3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.977 3.913 1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.454 3.216 2.957 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.336 2.330 1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.699 4.860 1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.890 3.353 1.549 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.518 4.878 2.388 1.00 0.00 H new ATOM 789 N THR A 47 4.176 1.946 5.794 1.00 0.00 N ATOM 790 CA THR A 47 5.197 1.686 6.806 1.00 0.00 C ATOM 791 C THR A 47 6.447 1.211 6.062 1.00 0.00 C ATOM 792 O THR A 47 6.351 0.291 5.258 1.00 0.00 O ATOM 793 CB THR A 47 4.695 0.604 7.820 1.00 0.00 C ATOM 794 OG1 THR A 47 3.472 1.058 8.437 1.00 0.00 O ATOM 795 CG2 THR A 47 5.741 0.276 8.904 1.00 0.00 C ATOM 0 H THR A 47 3.639 1.119 5.532 1.00 0.00 H new ATOM 0 HA THR A 47 5.418 2.583 7.385 1.00 0.00 H new ATOM 0 HB THR A 47 4.519 -0.315 7.260 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.134 0.365 9.042 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.340 -0.480 9.580 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.647 -0.103 8.432 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.976 1.179 9.468 1.00 0.00 H new ATOM 803 N PHE A 48 7.581 1.870 6.306 1.00 0.00 N ATOM 804 CA PHE A 48 8.849 1.599 5.597 1.00 0.00 C ATOM 805 C PHE A 48 9.577 0.398 6.203 1.00 0.00 C ATOM 806 O PHE A 48 9.392 0.097 7.379 1.00 0.00 O ATOM 807 CB PHE A 48 9.758 2.846 5.649 1.00 0.00 C ATOM 808 CG PHE A 48 9.188 4.064 4.922 1.00 0.00 C ATOM 809 CD1 PHE A 48 8.279 4.918 5.552 1.00 0.00 C ATOM 810 CD2 PHE A 48 9.565 4.358 3.615 1.00 0.00 C ATOM 811 CE1 PHE A 48 7.769 6.020 4.893 1.00 0.00 C ATOM 812 CE2 PHE A 48 9.052 5.462 2.960 1.00 0.00 C ATOM 813 CZ PHE A 48 8.156 6.294 3.598 1.00 0.00 C ATOM 0 H PHE A 48 7.654 2.611 7.003 1.00 0.00 H new ATOM 0 HA PHE A 48 8.613 1.364 4.559 1.00 0.00 H new ATOM 0 HB2 PHE A 48 9.937 3.109 6.692 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.725 2.596 5.213 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.971 4.714 6.567 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.268 3.715 3.106 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.065 6.669 5.393 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.354 5.674 1.945 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.759 7.157 3.085 1.00 0.00 H new ATOM 823 N THR A 49 10.376 -0.296 5.379 1.00 0.00 N ATOM 824 CA THR A 49 11.255 -1.394 5.819 1.00 0.00 C ATOM 825 C THR A 49 12.340 -0.823 6.781 1.00 0.00 C ATOM 826 O THR A 49 12.817 0.268 6.517 1.00 0.00 O ATOM 827 CB THR A 49 11.903 -2.083 4.551 1.00 0.00 C ATOM 828 OG1 THR A 49 11.039 -1.952 3.405 1.00 0.00 O ATOM 829 CG2 THR A 49 12.164 -3.576 4.740 1.00 0.00 C ATOM 0 H THR A 49 10.432 -0.110 4.378 1.00 0.00 H new ATOM 0 HA THR A 49 10.685 -2.150 6.359 1.00 0.00 H new ATOM 0 HB THR A 49 12.854 -1.571 4.403 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.456 -2.382 2.630 1.00 0.00 H new ATOM 0 HG21 THR A 49 12.609 -3.985 3.833 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.847 -3.723 5.577 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.223 -4.087 4.945 1.00 0.00 H new ATOM 960 N TYR A 59 6.807 8.645 8.025 1.00 0.00 N ATOM 961 CA TYR A 59 5.793 7.667 7.618 1.00 0.00 C ATOM 962 C TYR A 59 4.683 8.377 6.850 1.00 0.00 C ATOM 963 O TYR A 59 4.041 9.301 7.367 1.00 0.00 O ATOM 964 CB TYR A 59 5.227 6.905 8.834 1.00 0.00 C ATOM 965 CG TYR A 59 6.260 5.967 9.478 1.00 0.00 C ATOM 966 CD1 TYR A 59 6.463 4.678 8.978 1.00 0.00 C ATOM 967 CD2 TYR A 59 7.050 6.382 10.550 1.00 0.00 C ATOM 968 CE1 TYR A 59 7.416 3.842 9.525 1.00 0.00 C ATOM 969 CE2 TYR A 59 7.995 5.547 11.104 1.00 0.00 C ATOM 970 CZ TYR A 59 8.177 4.281 10.588 1.00 0.00 C ATOM 971 OH TYR A 59 9.133 3.460 11.134 1.00 0.00 O ATOM 0 HA TYR A 59 6.260 6.928 6.967 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.880 7.622 9.578 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.359 6.324 8.522 1.00 0.00 H new ATOM 0 HD1 TYR A 59 5.864 4.330 8.149 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.918 7.375 10.953 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.565 2.851 9.123 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.591 5.882 11.940 1.00 0.00 H new ATOM 0 HH TYR A 59 9.579 3.924 11.873 1.00 0.00 H new ATOM 981 N VAL A 60 4.466 7.926 5.618 1.00 0.00 N ATOM 982 CA VAL A 60 3.563 8.586 4.677 1.00 0.00 C ATOM 983 C VAL A 60 2.275 7.767 4.551 1.00 0.00 C ATOM 984 O VAL A 60 2.276 6.580 4.850 1.00 0.00 O ATOM 985 CB VAL A 60 4.257 8.776 3.272 1.00 0.00 C ATOM 986 CG1 VAL A 60 5.481 9.720 3.369 1.00 0.00 C ATOM 987 CG2 VAL A 60 4.654 7.418 2.653 1.00 0.00 C ATOM 0 H VAL A 60 4.912 7.090 5.242 1.00 0.00 H new ATOM 0 HA VAL A 60 3.315 9.578 5.054 1.00 0.00 H new ATOM 0 HB VAL A 60 3.528 9.244 2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.935 9.829 2.384 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.159 10.697 3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.211 9.299 4.061 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.129 7.584 1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.350 6.905 3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.763 6.805 2.519 1.00 0.00 H new ATOM 997 N TRP A 61 1.174 8.412 4.144 1.00 0.00 N ATOM 998 CA TRP A 61 -0.160 7.776 4.106 1.00 0.00 C ATOM 999 C TRP A 61 -1.038 8.387 3.012 1.00 0.00 C ATOM 1000 O TRP A 61 -0.817 9.516 2.596 1.00 0.00 O ATOM 1001 CB TRP A 61 -0.858 7.882 5.495 1.00 0.00 C ATOM 1002 CG TRP A 61 -1.020 9.293 6.036 1.00 0.00 C ATOM 1003 CD1 TRP A 61 -0.068 10.041 6.679 1.00 0.00 C ATOM 1004 CD2 TRP A 61 -2.209 10.109 6.004 1.00 0.00 C ATOM 1005 NE1 TRP A 61 -0.588 11.255 7.039 1.00 0.00 N ATOM 1006 CE2 TRP A 61 -1.896 11.323 6.636 1.00 0.00 C ATOM 1007 CE3 TRP A 61 -3.500 9.926 5.498 1.00 0.00 C ATOM 1008 CZ2 TRP A 61 -2.826 12.348 6.780 1.00 0.00 C ATOM 1009 CZ3 TRP A 61 -4.425 10.943 5.641 1.00 0.00 C ATOM 1010 CH2 TRP A 61 -4.085 12.143 6.278 1.00 0.00 C ATOM 0 H TRP A 61 1.177 9.383 3.833 1.00 0.00 H new ATOM 0 HA TRP A 61 -0.020 6.721 3.869 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.844 7.423 5.423 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -0.286 7.298 6.216 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.945 9.719 6.873 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -0.082 11.992 7.530 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.770 9.005 5.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.565 13.274 7.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.425 10.810 5.256 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -4.828 12.921 6.375 1.00 0.00 H new ATOM 1021 N PHE A 62 -2.059 7.638 2.579 1.00 0.00 N ATOM 1022 CA PHE A 62 -2.972 8.057 1.504 1.00 0.00 C ATOM 1023 C PHE A 62 -4.401 7.641 1.863 1.00 0.00 C ATOM 1024 O PHE A 62 -4.620 6.540 2.376 1.00 0.00 O ATOM 1025 CB PHE A 62 -2.531 7.463 0.129 1.00 0.00 C ATOM 1026 CG PHE A 62 -2.409 5.933 0.098 1.00 0.00 C ATOM 1027 CD1 PHE A 62 -1.279 5.292 0.610 1.00 0.00 C ATOM 1028 CD2 PHE A 62 -3.432 5.139 -0.419 1.00 0.00 C ATOM 1029 CE1 PHE A 62 -1.177 3.918 0.598 1.00 0.00 C ATOM 1030 CE2 PHE A 62 -3.327 3.763 -0.424 1.00 0.00 C ATOM 1031 CZ PHE A 62 -2.199 3.153 0.083 1.00 0.00 C ATOM 0 H PHE A 62 -2.278 6.720 2.965 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.937 9.142 1.406 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.249 7.772 -0.631 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.569 7.896 -0.146 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.473 5.882 1.021 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.318 5.607 -0.821 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.293 3.440 0.994 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.130 3.163 -0.826 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.117 2.076 0.076 1.00 0.00 H new ATOM 1041 N ASN A 63 -5.367 8.529 1.584 1.00 0.00 N ATOM 1042 CA ASN A 63 -6.786 8.324 1.934 1.00 0.00 C ATOM 1043 C ASN A 63 -7.457 7.383 0.917 1.00 0.00 C ATOM 1044 O ASN A 63 -7.302 7.569 -0.295 1.00 0.00 O ATOM 1045 CB ASN A 63 -7.555 9.672 1.992 1.00 0.00 C ATOM 1046 CG ASN A 63 -7.020 10.636 3.054 1.00 0.00 C ATOM 1047 OD1 ASN A 63 -7.414 10.584 4.218 1.00 0.00 O ATOM 1048 ND2 ASN A 63 -6.135 11.531 2.661 1.00 0.00 N ATOM 0 H ASN A 63 -5.188 9.413 1.108 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.821 7.869 2.924 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.502 10.154 1.016 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.608 9.472 2.192 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.759 12.204 3.329 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.826 11.550 1.689 1.00 0.00 H new ATOM 1055 N ILE A 64 -8.184 6.366 1.425 1.00 0.00 N ATOM 1056 CA ILE A 64 -8.999 5.447 0.607 1.00 0.00 C ATOM 1057 C ILE A 64 -10.499 5.721 0.871 1.00 0.00 C ATOM 1058 O ILE A 64 -10.890 6.058 2.001 1.00 0.00 O ATOM 1059 CB ILE A 64 -8.652 3.930 0.896 1.00 0.00 C ATOM 1060 CG1 ILE A 64 -8.950 3.549 2.388 1.00 0.00 C ATOM 1061 CG2 ILE A 64 -7.171 3.636 0.523 1.00 0.00 C ATOM 1062 CD1 ILE A 64 -8.816 2.072 2.708 1.00 0.00 C ATOM 0 H ILE A 64 -8.221 6.159 2.423 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.770 5.631 -0.443 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.293 3.308 0.271 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -8.273 4.109 3.033 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.962 3.869 2.634 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.945 2.589 0.727 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.015 3.841 -0.536 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.513 4.271 1.117 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.041 1.906 3.762 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.513 1.502 2.094 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.797 1.745 2.499 1.00 0.00 H new ATOM 1074 N GLY A 65 -11.317 5.616 -0.184 1.00 0.00 N ATOM 1075 CA GLY A 65 -12.762 5.851 -0.096 1.00 0.00 C ATOM 1076 C GLY A 65 -13.496 4.604 0.373 1.00 0.00 C ATOM 1077 O GLY A 65 -14.384 4.677 1.231 1.00 0.00 O ATOM 0 H GLY A 65 -10.996 5.366 -1.119 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.958 6.672 0.594 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.143 6.155 -1.071 1.00 0.00 H new ATOM 1081 N SER A 66 -13.100 3.451 -0.185 1.00 0.00 N ATOM 1082 CA SER A 66 -13.629 2.137 0.190 1.00 0.00 C ATOM 1083 C SER A 66 -12.463 1.172 0.431 1.00 0.00 C ATOM 1084 O SER A 66 -11.455 1.210 -0.298 1.00 0.00 O ATOM 1085 CB SER A 66 -14.548 1.598 -0.932 1.00 0.00 C ATOM 1086 OG SER A 66 -14.991 0.273 -0.671 1.00 0.00 O ATOM 0 H SER A 66 -12.393 3.407 -0.919 1.00 0.00 H new ATOM 0 HA SER A 66 -14.215 2.227 1.105 1.00 0.00 H new ATOM 0 HB2 SER A 66 -15.412 2.254 -1.039 1.00 0.00 H new ATOM 0 HB3 SER A 66 -14.012 1.620 -1.881 1.00 0.00 H new ATOM 0 HG SER A 66 -15.570 -0.028 -1.402 1.00 0.00 H new ATOM 1092 N VAL A 67 -12.602 0.326 1.470 1.00 0.00 N ATOM 1093 CA VAL A 67 -11.654 -0.773 1.740 1.00 0.00 C ATOM 1094 C VAL A 67 -11.610 -1.744 0.545 1.00 0.00 C ATOM 1095 O VAL A 67 -10.527 -2.152 0.132 1.00 0.00 O ATOM 1096 CB VAL A 67 -12.002 -1.550 3.068 1.00 0.00 C ATOM 1097 CG1 VAL A 67 -10.975 -2.677 3.355 1.00 0.00 C ATOM 1098 CG2 VAL A 67 -12.105 -0.574 4.269 1.00 0.00 C ATOM 0 H VAL A 67 -13.368 0.384 2.141 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.669 -0.326 1.878 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.975 -2.021 2.928 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.247 -3.191 4.277 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.976 -3.389 2.530 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.980 -2.244 3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.346 -1.134 5.173 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.153 -0.060 4.403 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.889 0.159 4.076 1.00 0.00 H new ATOM 1108 N ASP A 68 -12.796 -2.054 -0.033 1.00 0.00 N ATOM 1109 CA ASP A 68 -12.922 -2.966 -1.198 1.00 0.00 C ATOM 1110 C ASP A 68 -12.087 -2.481 -2.388 1.00 0.00 C ATOM 1111 O ASP A 68 -11.413 -3.280 -3.047 1.00 0.00 O ATOM 1112 CB ASP A 68 -14.410 -3.111 -1.634 1.00 0.00 C ATOM 1113 CG ASP A 68 -15.290 -3.853 -0.615 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -15.638 -3.263 0.426 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -15.657 -5.026 -0.857 1.00 0.00 O ATOM 0 H ASP A 68 -13.688 -1.682 0.292 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.544 -3.938 -0.882 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.827 -2.118 -1.804 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.449 -3.640 -2.586 1.00 0.00 H new ATOM 1120 N THR A 69 -12.120 -1.163 -2.637 1.00 0.00 N ATOM 1121 CA THR A 69 -11.378 -0.561 -3.750 1.00 0.00 C ATOM 1122 C THR A 69 -9.864 -0.695 -3.513 1.00 0.00 C ATOM 1123 O THR A 69 -9.144 -1.116 -4.409 1.00 0.00 O ATOM 1124 CB THR A 69 -11.772 0.936 -3.959 1.00 0.00 C ATOM 1125 OG1 THR A 69 -13.198 1.084 -3.902 1.00 0.00 O ATOM 1126 CG2 THR A 69 -11.273 1.477 -5.311 1.00 0.00 C ATOM 0 H THR A 69 -12.654 -0.495 -2.081 1.00 0.00 H new ATOM 0 HA THR A 69 -11.642 -1.099 -4.660 1.00 0.00 H new ATOM 0 HB THR A 69 -11.299 1.507 -3.160 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.435 2.026 -4.032 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.568 2.521 -5.416 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.187 1.401 -5.355 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.711 0.893 -6.121 1.00 0.00 H new ATOM 1134 N PHE A 70 -9.406 -0.383 -2.275 1.00 0.00 N ATOM 1135 CA PHE A 70 -7.985 -0.521 -1.887 1.00 0.00 C ATOM 1136 C PHE A 70 -7.477 -1.955 -2.127 1.00 0.00 C ATOM 1137 O PHE A 70 -6.420 -2.140 -2.726 1.00 0.00 O ATOM 1138 CB PHE A 70 -7.749 -0.116 -0.398 1.00 0.00 C ATOM 1139 CG PHE A 70 -6.316 -0.405 0.093 1.00 0.00 C ATOM 1140 CD1 PHE A 70 -5.229 0.285 -0.442 1.00 0.00 C ATOM 1141 CD2 PHE A 70 -6.059 -1.395 1.039 1.00 0.00 C ATOM 1142 CE1 PHE A 70 -3.938 -0.001 -0.044 1.00 0.00 C ATOM 1143 CE2 PHE A 70 -4.765 -1.686 1.430 1.00 0.00 C ATOM 1144 CZ PHE A 70 -3.705 -0.987 0.890 1.00 0.00 C ATOM 0 H PHE A 70 -10.005 -0.033 -1.528 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.419 0.162 -2.520 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.958 0.947 -0.280 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.457 -0.652 0.234 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.399 1.055 -1.179 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.882 -1.943 1.473 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.110 0.549 -0.465 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.584 -2.462 2.159 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.695 -1.212 1.199 1.00 0.00 H new ATOM 1154 N GLU A 71 -8.251 -2.946 -1.659 1.00 0.00 N ATOM 1155 CA GLU A 71 -7.871 -4.371 -1.722 1.00 0.00 C ATOM 1156 C GLU A 71 -7.717 -4.844 -3.177 1.00 0.00 C ATOM 1157 O GLU A 71 -6.674 -5.376 -3.549 1.00 0.00 O ATOM 1158 CB GLU A 71 -8.926 -5.251 -0.999 1.00 0.00 C ATOM 1159 CG GLU A 71 -9.121 -4.938 0.494 1.00 0.00 C ATOM 1160 CD GLU A 71 -7.894 -5.238 1.362 1.00 0.00 C ATOM 1161 OE1 GLU A 71 -7.598 -6.426 1.569 1.00 0.00 O ATOM 1162 OE2 GLU A 71 -7.235 -4.303 1.869 1.00 0.00 O ATOM 0 H GLU A 71 -9.160 -2.785 -1.225 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.910 -4.475 -1.219 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.883 -5.135 -1.507 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.636 -6.297 -1.101 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.381 -3.885 0.602 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.967 -5.515 0.868 1.00 0.00 H new ATOM 1169 N ARG A 72 -8.762 -4.606 -3.991 1.00 0.00 N ATOM 1170 CA ARG A 72 -8.834 -5.076 -5.390 1.00 0.00 C ATOM 1171 C ARG A 72 -7.796 -4.368 -6.273 1.00 0.00 C ATOM 1172 O ARG A 72 -7.205 -4.989 -7.161 1.00 0.00 O ATOM 1173 CB ARG A 72 -10.257 -4.848 -5.950 1.00 0.00 C ATOM 1174 CG ARG A 72 -11.367 -5.622 -5.206 1.00 0.00 C ATOM 1175 CD ARG A 72 -12.777 -5.305 -5.735 1.00 0.00 C ATOM 1176 NE ARG A 72 -13.823 -6.038 -4.994 1.00 0.00 N ATOM 1177 CZ ARG A 72 -15.020 -5.544 -4.626 1.00 0.00 C ATOM 1178 NH1 ARG A 72 -15.363 -4.292 -4.927 1.00 0.00 N ATOM 1179 NH2 ARG A 72 -15.864 -6.313 -3.952 1.00 0.00 N ATOM 0 H ARG A 72 -9.585 -4.080 -3.697 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.609 -6.142 -5.401 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.484 -3.783 -5.909 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -10.271 -5.137 -7.001 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.182 -6.692 -5.299 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.321 -5.382 -4.144 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.961 -4.233 -5.657 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.834 -5.562 -6.793 1.00 0.00 H new ATOM 0 HE ARG A 72 -13.621 -7.004 -4.738 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -14.715 -3.696 -5.442 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -16.273 -3.930 -4.642 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.604 -7.271 -3.716 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -16.773 -5.947 -3.669 1.00 0.00 H new ATOM 1193 N ASN A 73 -7.586 -3.066 -6.027 1.00 0.00 N ATOM 1194 CA ASN A 73 -6.548 -2.284 -6.719 1.00 0.00 C ATOM 1195 C ASN A 73 -5.159 -2.773 -6.316 1.00 0.00 C ATOM 1196 O ASN A 73 -4.260 -2.770 -7.135 1.00 0.00 O ATOM 1197 CB ASN A 73 -6.698 -0.766 -6.420 1.00 0.00 C ATOM 1198 CG ASN A 73 -7.944 -0.136 -7.059 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -8.939 -0.807 -7.323 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -7.909 1.161 -7.285 1.00 0.00 N ATOM 0 H ASN A 73 -8.126 -2.528 -5.349 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.673 -2.429 -7.792 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.739 -0.619 -5.341 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.811 -0.244 -6.780 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.720 1.631 -7.688 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.071 1.696 -7.057 1.00 0.00 H new ATOM 1207 N LEU A 74 -4.998 -3.173 -5.048 1.00 0.00 N ATOM 1208 CA LEU A 74 -3.738 -3.749 -4.539 1.00 0.00 C ATOM 1209 C LEU A 74 -3.468 -5.149 -5.145 1.00 0.00 C ATOM 1210 O LEU A 74 -2.311 -5.516 -5.346 1.00 0.00 O ATOM 1211 CB LEU A 74 -3.759 -3.806 -2.983 1.00 0.00 C ATOM 1212 CG LEU A 74 -2.372 -3.939 -2.285 1.00 0.00 C ATOM 1213 CD1 LEU A 74 -1.481 -2.704 -2.562 1.00 0.00 C ATOM 1214 CD2 LEU A 74 -2.531 -4.193 -0.769 1.00 0.00 C ATOM 0 H LEU A 74 -5.733 -3.108 -4.344 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.920 -3.099 -4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.245 -2.903 -2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.379 -4.649 -2.679 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.869 -4.806 -2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.521 -2.828 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.320 -2.605 -3.635 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.974 -1.808 -2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.546 -4.281 -0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.070 -3.361 -0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.089 -5.116 -0.611 1.00 0.00 H new ATOM 1226 N GLU A 75 -4.541 -5.914 -5.435 1.00 0.00 N ATOM 1227 CA GLU A 75 -4.431 -7.215 -6.144 1.00 0.00 C ATOM 1228 C GLU A 75 -3.847 -7.005 -7.548 1.00 0.00 C ATOM 1229 O GLU A 75 -2.860 -7.650 -7.936 1.00 0.00 O ATOM 1230 CB GLU A 75 -5.817 -7.899 -6.286 1.00 0.00 C ATOM 1231 CG GLU A 75 -6.528 -8.245 -4.968 1.00 0.00 C ATOM 1232 CD GLU A 75 -5.734 -9.209 -4.084 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -5.585 -10.395 -4.460 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -5.262 -8.807 -3.007 1.00 0.00 O ATOM 0 H GLU A 75 -5.497 -5.656 -5.190 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.775 -7.854 -5.553 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.467 -7.244 -6.867 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.692 -8.816 -6.861 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.716 -7.326 -4.413 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.499 -8.686 -5.193 1.00 0.00 H new ATOM 1241 N THR A 76 -4.481 -6.065 -8.276 1.00 0.00 N ATOM 1242 CA THR A 76 -4.120 -5.706 -9.649 1.00 0.00 C ATOM 1243 C THR A 76 -2.695 -5.128 -9.695 1.00 0.00 C ATOM 1244 O THR A 76 -1.879 -5.520 -10.517 1.00 0.00 O ATOM 1245 CB THR A 76 -5.138 -4.646 -10.198 1.00 0.00 C ATOM 1246 OG1 THR A 76 -6.490 -5.108 -10.003 1.00 0.00 O ATOM 1247 CG2 THR A 76 -4.924 -4.328 -11.685 1.00 0.00 C ATOM 0 H THR A 76 -5.270 -5.529 -7.915 1.00 0.00 H new ATOM 0 HA THR A 76 -4.154 -6.602 -10.269 1.00 0.00 H new ATOM 0 HB THR A 76 -4.964 -3.728 -9.636 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.749 -4.976 -9.067 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.657 -3.589 -12.008 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.920 -3.931 -11.831 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.043 -5.238 -12.273 1.00 0.00 H new ATOM 1255 N LEU A 77 -2.436 -4.193 -8.786 1.00 0.00 N ATOM 1256 CA LEU A 77 -1.163 -3.481 -8.672 1.00 0.00 C ATOM 1257 C LEU A 77 0.018 -4.436 -8.457 1.00 0.00 C ATOM 1258 O LEU A 77 0.946 -4.459 -9.264 1.00 0.00 O ATOM 1259 CB LEU A 77 -1.235 -2.465 -7.509 1.00 0.00 C ATOM 1260 CG LEU A 77 0.007 -1.563 -7.343 1.00 0.00 C ATOM 1261 CD1 LEU A 77 0.226 -0.686 -8.596 1.00 0.00 C ATOM 1262 CD2 LEU A 77 -0.107 -0.718 -6.064 1.00 0.00 C ATOM 0 H LEU A 77 -3.122 -3.901 -8.090 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.993 -2.959 -9.613 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.108 -1.829 -7.657 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.393 -3.012 -6.580 1.00 0.00 H new ATOM 0 HG LEU A 77 0.886 -2.199 -7.240 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.107 -0.060 -8.453 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.373 -1.325 -9.467 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.647 -0.053 -8.754 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.777 -0.089 -5.964 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.995 -0.089 -6.121 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.184 -1.376 -5.199 1.00 0.00 H new ATOM 1274 N GLN A 78 -0.054 -5.236 -7.381 1.00 0.00 N ATOM 1275 CA GLN A 78 1.042 -6.125 -6.978 1.00 0.00 C ATOM 1276 C GLN A 78 1.344 -7.178 -8.063 1.00 0.00 C ATOM 1277 O GLN A 78 2.508 -7.436 -8.347 1.00 0.00 O ATOM 1278 CB GLN A 78 0.742 -6.802 -5.612 1.00 0.00 C ATOM 1279 CG GLN A 78 0.741 -5.849 -4.400 1.00 0.00 C ATOM 1280 CD GLN A 78 0.566 -6.581 -3.065 1.00 0.00 C ATOM 1281 OE1 GLN A 78 1.535 -6.945 -2.394 1.00 0.00 O ATOM 1282 NE2 GLN A 78 -0.671 -6.843 -2.699 1.00 0.00 N ATOM 0 H GLN A 78 -0.870 -5.283 -6.770 1.00 0.00 H new ATOM 0 HA GLN A 78 1.934 -5.510 -6.859 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.230 -7.291 -5.672 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.482 -7.584 -5.440 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.677 -5.291 -4.382 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -0.062 -5.121 -4.517 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.451 -6.528 -3.276 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.849 -7.361 -1.839 1.00 0.00 H new ATOM 1291 N GLN A 79 0.291 -7.736 -8.709 1.00 0.00 N ATOM 1292 CA GLN A 79 0.477 -8.769 -9.761 1.00 0.00 C ATOM 1293 C GLN A 79 1.181 -8.156 -10.995 1.00 0.00 C ATOM 1294 O GLN A 79 1.999 -8.824 -11.636 1.00 0.00 O ATOM 1295 CB GLN A 79 -0.864 -9.453 -10.165 1.00 0.00 C ATOM 1296 CG GLN A 79 -1.819 -8.568 -10.980 1.00 0.00 C ATOM 1297 CD GLN A 79 -3.108 -9.263 -11.416 1.00 0.00 C ATOM 1298 OE1 GLN A 79 -3.616 -10.147 -10.737 1.00 0.00 O ATOM 1299 NE2 GLN A 79 -3.643 -8.869 -12.563 1.00 0.00 N ATOM 0 H GLN A 79 -0.683 -7.494 -8.525 1.00 0.00 H new ATOM 0 HA GLN A 79 1.112 -9.550 -9.343 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -0.639 -10.349 -10.744 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.377 -9.779 -9.260 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.077 -7.691 -10.387 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.296 -8.211 -11.867 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.197 -8.130 -13.107 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.501 -9.305 -12.902 1.00 0.00 H new ATOM 1308 N GLU A 80 0.897 -6.863 -11.289 1.00 0.00 N ATOM 1309 CA GLU A 80 1.556 -6.128 -12.393 1.00 0.00 C ATOM 1310 C GLU A 80 3.027 -5.851 -12.054 1.00 0.00 C ATOM 1311 O GLU A 80 3.901 -5.963 -12.921 1.00 0.00 O ATOM 1312 CB GLU A 80 0.820 -4.794 -12.701 1.00 0.00 C ATOM 1313 CG GLU A 80 -0.605 -4.950 -13.276 1.00 0.00 C ATOM 1314 CD GLU A 80 -0.674 -5.809 -14.552 1.00 0.00 C ATOM 1315 OE1 GLU A 80 -0.240 -5.335 -15.628 1.00 0.00 O ATOM 1316 OE2 GLU A 80 -1.173 -6.958 -14.496 1.00 0.00 O ATOM 0 H GLU A 80 0.214 -6.308 -10.774 1.00 0.00 H new ATOM 0 HA GLU A 80 1.510 -6.756 -13.283 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.763 -4.208 -11.784 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.420 -4.221 -13.408 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.246 -5.395 -12.515 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.008 -3.961 -13.494 1.00 0.00 H new ATOM 1323 N LEU A 81 3.282 -5.499 -10.783 1.00 0.00 N ATOM 1324 CA LEU A 81 4.636 -5.271 -10.258 1.00 0.00 C ATOM 1325 C LEU A 81 5.401 -6.610 -10.080 1.00 0.00 C ATOM 1326 O LEU A 81 6.614 -6.606 -9.855 1.00 0.00 O ATOM 1327 CB LEU A 81 4.561 -4.503 -8.901 1.00 0.00 C ATOM 1328 CG LEU A 81 3.869 -3.092 -8.914 1.00 0.00 C ATOM 1329 CD1 LEU A 81 3.853 -2.460 -7.497 1.00 0.00 C ATOM 1330 CD2 LEU A 81 4.531 -2.143 -9.942 1.00 0.00 C ATOM 0 H LEU A 81 2.548 -5.364 -10.087 1.00 0.00 H new ATOM 0 HA LEU A 81 5.184 -4.666 -10.980 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.032 -5.132 -8.185 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.577 -4.378 -8.526 1.00 0.00 H new ATOM 0 HG LEU A 81 2.835 -3.240 -9.224 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.368 -1.485 -7.539 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.304 -3.109 -6.815 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.876 -2.341 -7.140 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.026 -1.177 -9.923 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.582 -2.008 -9.688 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.451 -2.575 -10.940 1.00 0.00 H new ATOM 1342 N GLY A 82 4.674 -7.746 -10.166 1.00 0.00 N ATOM 1343 CA GLY A 82 5.261 -9.080 -9.979 1.00 0.00 C ATOM 1344 C GLY A 82 5.259 -9.529 -8.519 1.00 0.00 C ATOM 1345 O GLY A 82 5.594 -10.672 -8.230 1.00 0.00 O ATOM 0 H GLY A 82 3.674 -7.759 -10.365 1.00 0.00 H new ATOM 0 HA2 GLY A 82 4.706 -9.803 -10.577 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.285 -9.077 -10.352 1.00 0.00 H new ATOM 1349 N ILE A 83 4.893 -8.605 -7.614 1.00 0.00 N ATOM 1350 CA ILE A 83 4.782 -8.833 -6.165 1.00 0.00 C ATOM 1351 C ILE A 83 3.603 -9.799 -5.891 1.00 0.00 C ATOM 1352 O ILE A 83 2.439 -9.414 -6.015 1.00 0.00 O ATOM 1353 CB ILE A 83 4.560 -7.451 -5.421 1.00 0.00 C ATOM 1354 CG1 ILE A 83 5.717 -6.446 -5.738 1.00 0.00 C ATOM 1355 CG2 ILE A 83 4.394 -7.634 -3.895 1.00 0.00 C ATOM 1356 CD1 ILE A 83 5.525 -5.046 -5.166 1.00 0.00 C ATOM 0 H ILE A 83 4.659 -7.649 -7.881 1.00 0.00 H new ATOM 0 HA ILE A 83 5.701 -9.282 -5.788 1.00 0.00 H new ATOM 0 HB ILE A 83 3.629 -7.031 -5.801 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.650 -6.856 -5.352 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.826 -6.369 -6.820 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.244 -6.661 -3.426 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.531 -8.269 -3.697 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.290 -8.101 -3.485 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.376 -4.422 -5.438 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.612 -4.610 -5.571 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.449 -5.104 -4.080 1.00 0.00 H new ATOM 1368 N GLU A 84 3.911 -11.066 -5.554 1.00 0.00 N ATOM 1369 CA GLU A 84 2.886 -12.116 -5.389 1.00 0.00 C ATOM 1370 C GLU A 84 3.334 -13.183 -4.384 1.00 0.00 C ATOM 1371 O GLU A 84 4.529 -13.331 -4.111 1.00 0.00 O ATOM 1372 CB GLU A 84 2.550 -12.776 -6.758 1.00 0.00 C ATOM 1373 CG GLU A 84 3.750 -13.440 -7.469 1.00 0.00 C ATOM 1374 CD GLU A 84 3.359 -14.221 -8.734 1.00 0.00 C ATOM 1375 OE1 GLU A 84 3.137 -13.596 -9.789 1.00 0.00 O ATOM 1376 OE2 GLU A 84 3.284 -15.466 -8.682 1.00 0.00 O ATOM 0 H GLU A 84 4.865 -11.389 -5.390 1.00 0.00 H new ATOM 0 HA GLU A 84 1.987 -11.639 -4.998 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.776 -13.528 -6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.129 -12.017 -7.418 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.475 -12.671 -7.736 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.245 -14.117 -6.773 1.00 0.00 H new ATOM 1383 N GLY A 85 2.343 -13.920 -3.849 1.00 0.00 N ATOM 1384 CA GLY A 85 2.572 -15.002 -2.894 1.00 0.00 C ATOM 1385 C GLY A 85 3.212 -14.524 -1.599 1.00 0.00 C ATOM 1386 O GLY A 85 2.692 -13.611 -0.951 1.00 0.00 O ATOM 0 H GLY A 85 1.359 -13.775 -4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.622 -15.486 -2.667 1.00 0.00 H new ATOM 0 HA3 GLY A 85 3.212 -15.755 -3.353 1.00 0.00 H new ATOM 1390 N GLU A 86 4.355 -15.125 -1.247 1.00 0.00 N ATOM 1391 CA GLU A 86 5.129 -14.792 -0.044 1.00 0.00 C ATOM 1392 C GLU A 86 5.724 -13.362 -0.121 1.00 0.00 C ATOM 1393 O GLU A 86 6.010 -12.747 0.909 1.00 0.00 O ATOM 1394 CB GLU A 86 6.245 -15.856 0.142 1.00 0.00 C ATOM 1395 CG GLU A 86 7.118 -15.718 1.406 1.00 0.00 C ATOM 1396 CD GLU A 86 6.327 -15.813 2.717 1.00 0.00 C ATOM 1397 OE1 GLU A 86 5.864 -16.920 3.070 1.00 0.00 O ATOM 1398 OE2 GLU A 86 6.143 -14.784 3.402 1.00 0.00 O ATOM 0 H GLU A 86 4.776 -15.871 -1.801 1.00 0.00 H new ATOM 0 HA GLU A 86 4.465 -14.804 0.820 1.00 0.00 H new ATOM 0 HB2 GLU A 86 5.779 -16.841 0.154 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.898 -15.823 -0.730 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.882 -16.496 1.396 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.638 -14.761 1.375 1.00 0.00 H new ATOM 1405 N ASN A 87 5.877 -12.834 -1.345 1.00 0.00 N ATOM 1406 CA ASN A 87 6.467 -11.498 -1.584 1.00 0.00 C ATOM 1407 C ASN A 87 5.438 -10.369 -1.430 1.00 0.00 C ATOM 1408 O ASN A 87 5.816 -9.197 -1.495 1.00 0.00 O ATOM 1409 CB ASN A 87 7.137 -11.444 -2.980 1.00 0.00 C ATOM 1410 CG ASN A 87 8.395 -12.319 -3.093 1.00 0.00 C ATOM 1411 OD1 ASN A 87 8.543 -13.312 -2.390 1.00 0.00 O ATOM 1412 ND2 ASN A 87 9.299 -11.966 -3.999 1.00 0.00 N ATOM 0 H ASN A 87 5.597 -13.316 -2.199 1.00 0.00 H new ATOM 0 HA ASN A 87 7.228 -11.340 -0.820 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.415 -11.761 -3.733 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.401 -10.411 -3.207 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.142 -12.526 -4.123 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.150 -11.134 -4.571 1.00 0.00 H new ATOM 1419 N ARG A 88 4.152 -10.713 -1.215 1.00 0.00 N ATOM 1420 CA ARG A 88 3.085 -9.709 -0.995 1.00 0.00 C ATOM 1421 C ARG A 88 3.307 -8.933 0.321 1.00 0.00 C ATOM 1422 O ARG A 88 3.725 -9.508 1.332 1.00 0.00 O ATOM 1423 CB ARG A 88 1.684 -10.363 -0.997 1.00 0.00 C ATOM 1424 CG ARG A 88 1.135 -10.723 -2.394 1.00 0.00 C ATOM 1425 CD ARG A 88 -0.285 -11.305 -2.325 1.00 0.00 C ATOM 1426 NE ARG A 88 -0.924 -11.416 -3.655 1.00 0.00 N ATOM 1427 CZ ARG A 88 -2.209 -11.103 -3.916 1.00 0.00 C ATOM 1428 NH1 ARG A 88 -3.004 -10.654 -2.944 1.00 0.00 N ATOM 1429 NH2 ARG A 88 -2.691 -11.250 -5.147 1.00 0.00 N ATOM 0 H ARG A 88 3.825 -11.679 -1.189 1.00 0.00 H new ATOM 0 HA ARG A 88 3.135 -9.003 -1.824 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.722 -11.270 -0.393 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.982 -9.685 -0.511 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.131 -9.832 -3.022 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.799 -11.445 -2.869 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -0.247 -12.291 -1.862 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -0.900 -10.675 -1.683 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.352 -11.753 -4.429 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.641 -10.546 -1.997 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.975 -10.419 -3.147 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.089 -11.599 -5.892 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.663 -11.014 -5.346 1.00 0.00 H new ATOM 1443 N VAL A 89 2.998 -7.630 0.282 1.00 0.00 N ATOM 1444 CA VAL A 89 3.222 -6.698 1.401 1.00 0.00 C ATOM 1445 C VAL A 89 2.045 -6.805 2.409 1.00 0.00 C ATOM 1446 O VAL A 89 0.891 -6.614 2.004 1.00 0.00 O ATOM 1447 CB VAL A 89 3.371 -5.227 0.856 1.00 0.00 C ATOM 1448 CG1 VAL A 89 3.615 -4.204 1.988 1.00 0.00 C ATOM 1449 CG2 VAL A 89 4.491 -5.159 -0.216 1.00 0.00 C ATOM 0 H VAL A 89 2.581 -7.186 -0.536 1.00 0.00 H new ATOM 0 HA VAL A 89 4.145 -6.961 1.918 1.00 0.00 H new ATOM 0 HB VAL A 89 2.425 -4.953 0.389 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.711 -3.205 1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.775 -4.223 2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.531 -4.461 2.519 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.582 -4.137 -0.583 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.437 -5.471 0.226 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.242 -5.821 -1.045 1.00 0.00 H new ATOM 1459 N PRO A 90 2.326 -7.119 3.726 1.00 0.00 N ATOM 1460 CA PRO A 90 1.274 -7.420 4.742 1.00 0.00 C ATOM 1461 C PRO A 90 0.295 -6.249 4.992 1.00 0.00 C ATOM 1462 O PRO A 90 0.715 -5.114 5.172 1.00 0.00 O ATOM 1463 CB PRO A 90 2.093 -7.776 6.017 1.00 0.00 C ATOM 1464 CG PRO A 90 3.446 -7.172 5.806 1.00 0.00 C ATOM 1465 CD PRO A 90 3.693 -7.223 4.319 1.00 0.00 C ATOM 0 HA PRO A 90 0.616 -8.224 4.411 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.619 -7.374 6.912 1.00 0.00 H new ATOM 0 HB3 PRO A 90 2.162 -8.856 6.150 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.477 -6.146 6.172 1.00 0.00 H new ATOM 0 HG3 PRO A 90 4.211 -7.728 6.348 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.334 -6.404 3.992 1.00 0.00 H new ATOM 0 HD3 PRO A 90 4.186 -8.150 4.027 1.00 0.00 H new ATOM 1473 N VAL A 91 -1.013 -6.559 4.999 1.00 0.00 N ATOM 1474 CA VAL A 91 -2.093 -5.575 5.204 1.00 0.00 C ATOM 1475 C VAL A 91 -2.710 -5.795 6.600 1.00 0.00 C ATOM 1476 O VAL A 91 -3.203 -6.892 6.891 1.00 0.00 O ATOM 1477 CB VAL A 91 -3.190 -5.699 4.080 1.00 0.00 C ATOM 1478 CG1 VAL A 91 -4.309 -4.644 4.247 1.00 0.00 C ATOM 1479 CG2 VAL A 91 -2.552 -5.620 2.667 1.00 0.00 C ATOM 0 H VAL A 91 -1.355 -7.510 4.861 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.680 -4.568 5.144 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.654 -6.680 4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.044 -4.765 3.452 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.794 -4.778 5.214 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.878 -3.644 4.194 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.332 -5.708 1.910 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.041 -4.664 2.552 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.835 -6.432 2.546 1.00 0.00 H new ATOM 1489 N VAL A 92 -2.647 -4.757 7.467 1.00 0.00 N ATOM 1490 CA VAL A 92 -3.065 -4.836 8.887 1.00 0.00 C ATOM 1491 C VAL A 92 -4.019 -3.675 9.195 1.00 0.00 C ATOM 1492 O VAL A 92 -3.654 -2.518 9.017 1.00 0.00 O ATOM 1493 CB VAL A 92 -1.817 -4.763 9.859 1.00 0.00 C ATOM 1494 CG1 VAL A 92 -2.224 -4.955 11.342 1.00 0.00 C ATOM 1495 CG2 VAL A 92 -0.740 -5.784 9.444 1.00 0.00 C ATOM 0 H VAL A 92 -2.302 -3.835 7.199 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.565 -5.791 9.047 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.394 -3.762 9.770 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.337 -4.898 11.973 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.926 -4.173 11.631 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.695 -5.930 11.467 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.108 -5.716 10.126 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.158 -6.790 9.484 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.407 -5.569 8.429 1.00 0.00 H new ATOM 1505 N TYR A 93 -5.236 -3.988 9.648 1.00 0.00 N ATOM 1506 CA TYR A 93 -6.253 -2.977 9.981 1.00 0.00 C ATOM 1507 C TYR A 93 -6.050 -2.472 11.418 1.00 0.00 C ATOM 1508 O TYR A 93 -6.147 -3.248 12.375 1.00 0.00 O ATOM 1509 CB TYR A 93 -7.668 -3.574 9.782 1.00 0.00 C ATOM 1510 CG TYR A 93 -7.924 -4.063 8.341 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -8.419 -3.202 7.363 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -7.622 -5.373 7.952 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -8.609 -3.628 6.066 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -7.819 -5.799 6.659 1.00 0.00 C ATOM 1515 CZ TYR A 93 -8.304 -4.920 5.721 1.00 0.00 C ATOM 1516 OH TYR A 93 -8.494 -5.339 4.432 1.00 0.00 O ATOM 0 H TYR A 93 -5.548 -4.948 9.795 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.149 -2.122 9.313 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.804 -4.407 10.471 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.413 -2.821 10.041 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -8.658 -2.182 7.626 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.226 -6.064 8.682 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -8.997 -2.946 5.323 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -7.594 -6.818 6.383 1.00 0.00 H new ATOM 0 HH TYR A 93 -8.229 -6.279 4.351 1.00 0.00 H new ATOM 1526 N ILE A 94 -5.745 -1.174 11.558 1.00 0.00 N ATOM 1527 CA ILE A 94 -5.445 -0.531 12.848 1.00 0.00 C ATOM 1528 C ILE A 94 -6.546 0.493 13.157 1.00 0.00 C ATOM 1529 O ILE A 94 -6.847 1.329 12.316 1.00 0.00 O ATOM 1530 CB ILE A 94 -4.040 0.198 12.801 1.00 0.00 C ATOM 1531 CG1 ILE A 94 -2.901 -0.809 12.452 1.00 0.00 C ATOM 1532 CG2 ILE A 94 -3.731 0.948 14.125 1.00 0.00 C ATOM 1533 CD1 ILE A 94 -2.712 -1.942 13.462 1.00 0.00 C ATOM 0 H ILE A 94 -5.699 -0.531 10.768 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.408 -1.294 13.626 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.090 0.946 12.010 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.107 -1.244 11.474 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.964 -0.259 12.365 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -2.758 1.434 14.049 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.499 1.700 14.305 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.718 0.237 14.951 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -1.899 -2.590 13.134 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.470 -1.522 14.439 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.632 -2.522 13.534 1.00 0.00 H new