USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 480 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 31 SER OG : rot 64:sc= 0.0226 USER MOD Set 1.2: B 31 SER OG : rot -146:sc= 0.0229 USER MOD Set 2.1: A 21 CYS SG : rot -35:sc= -5.23! USER MOD Set 2.2: B 21 CYS SG : rot -40:sc= -5.43! USER MOD Single : A 15 THR OG1 : rot -36:sc= 0.607 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -10.4! C(o=-10!,f=-30!) USER MOD Single : A 27 GLN : amide:sc= -0.274 K(o=-0.27,f=-1.8!) USER MOD Single : A 32 GLN : amide:sc= -0.0232 X(o=-0.023,f=-0.18) USER MOD Single : A 37 TYR OH : rot -122:sc= -1.95! USER MOD Single : A 38 CYS SG : rot 4:sc= -15.5! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.763 K(o=-0.76,f=-3.2!) USER MOD Single : B 15 THR OG1 : rot -36:sc= 0.611 USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 23 ASN : amide:sc= -10.9! C(o=-11!,f=-30!) USER MOD Single : B 27 GLN : amide:sc= -0.254 K(o=-0.25,f=-1.9!) USER MOD Single : B 32 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : B 37 TYR OH : rot -125:sc= -2.19! USER MOD Single : B 38 CYS SG : rot 7:sc= -16! USER MOD Single : B 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 245 N THR A 15 -3.526 1.561 1.588 1.00 0.00 N ATOM 246 CA THR A 15 -2.639 0.990 2.639 1.00 0.00 C ATOM 247 C THR A 15 -2.631 -0.539 2.542 1.00 0.00 C ATOM 248 O THR A 15 -3.610 -1.187 2.852 1.00 0.00 O ATOM 249 CB THR A 15 -3.253 1.446 3.960 1.00 0.00 C ATOM 250 OG1 THR A 15 -4.662 1.268 3.915 1.00 0.00 O ATOM 251 CG2 THR A 15 -2.926 2.923 4.183 1.00 0.00 C ATOM 0 HA THR A 15 -1.605 1.319 2.539 1.00 0.00 H new ATOM 0 HB THR A 15 -2.843 0.855 4.779 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.988 1.462 3.011 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.362 3.254 5.125 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.845 3.055 4.218 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.338 3.514 3.365 1.00 0.00 H new ATOM 259 N SER A 16 -1.541 -1.121 2.102 1.00 0.00 N ATOM 260 CA SER A 16 -1.490 -2.611 1.984 1.00 0.00 C ATOM 261 C SER A 16 -1.684 -3.246 3.399 1.00 0.00 C ATOM 262 O SER A 16 -2.703 -2.960 3.993 1.00 0.00 O ATOM 263 CB SER A 16 -0.158 -2.901 1.290 1.00 0.00 C ATOM 264 OG SER A 16 -0.161 -2.282 0.009 1.00 0.00 O ATOM 0 H SER A 16 -0.691 -0.632 1.822 1.00 0.00 H new ATOM 0 HA SER A 16 -2.287 -3.059 1.391 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.670 -2.522 1.890 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.012 -3.976 1.189 1.00 0.00 H new ATOM 0 HG SER A 16 0.690 -2.461 -0.443 1.00 0.00 H new ATOM 270 N PRO A 17 -0.798 -4.084 3.965 1.00 0.00 N ATOM 271 CA PRO A 17 0.495 -4.578 3.451 1.00 0.00 C ATOM 272 C PRO A 17 0.396 -6.067 3.129 1.00 0.00 C ATOM 273 O PRO A 17 1.310 -6.811 3.427 1.00 0.00 O ATOM 274 CB PRO A 17 1.362 -4.473 4.702 1.00 0.00 C ATOM 275 CG PRO A 17 0.406 -4.565 5.854 1.00 0.00 C ATOM 276 CD PRO A 17 -0.963 -4.680 5.265 1.00 0.00 C ATOM 0 HA PRO A 17 0.840 -4.048 2.563 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.100 -5.275 4.738 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.912 -3.532 4.722 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.633 -5.429 6.478 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.481 -3.684 6.491 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.289 -5.718 5.196 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -1.706 -4.151 5.862 1.00 0.00 H new ATOM 284 N PRO A 18 -0.714 -6.490 2.599 1.00 0.00 N ATOM 285 CA PRO A 18 -0.889 -7.927 2.342 1.00 0.00 C ATOM 286 C PRO A 18 0.194 -8.479 1.395 1.00 0.00 C ATOM 287 O PRO A 18 0.666 -9.577 1.615 1.00 0.00 O ATOM 288 CB PRO A 18 -2.327 -8.025 1.838 1.00 0.00 C ATOM 289 CG PRO A 18 -2.646 -6.671 1.308 1.00 0.00 C ATOM 290 CD PRO A 18 -1.880 -5.708 2.173 1.00 0.00 C ATOM 0 HA PRO A 18 -0.752 -8.559 3.219 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.422 -8.784 1.062 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.008 -8.304 2.642 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -2.351 -6.579 0.263 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.717 -6.474 1.355 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.586 -4.816 1.619 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -2.473 -5.373 3.024 1.00 0.00 H new ATOM 298 N PRO A 19 0.631 -7.708 0.422 1.00 0.00 N ATOM 299 CA PRO A 19 1.739 -8.189 -0.435 1.00 0.00 C ATOM 300 C PRO A 19 3.010 -8.151 0.419 1.00 0.00 C ATOM 301 O PRO A 19 3.824 -7.262 0.294 1.00 0.00 O ATOM 302 CB PRO A 19 1.802 -7.167 -1.566 1.00 0.00 C ATOM 303 CG PRO A 19 1.206 -5.929 -0.985 1.00 0.00 C ATOM 304 CD PRO A 19 0.173 -6.374 0.017 1.00 0.00 C ATOM 0 HA PRO A 19 1.617 -9.199 -0.826 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.828 -6.998 -1.892 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.242 -7.505 -2.438 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.972 -5.319 -0.506 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.751 -5.316 -1.763 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.121 -5.694 0.867 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.823 -6.410 -0.424 1.00 0.00 H new ATOM 312 N GLU A 20 3.127 -9.082 1.329 1.00 0.00 N ATOM 313 CA GLU A 20 4.290 -9.120 2.278 1.00 0.00 C ATOM 314 C GLU A 20 5.658 -9.103 1.584 1.00 0.00 C ATOM 315 O GLU A 20 6.487 -9.943 1.847 1.00 0.00 O ATOM 316 CB GLU A 20 4.129 -10.433 3.051 1.00 0.00 C ATOM 317 CG GLU A 20 3.688 -11.556 2.106 1.00 0.00 C ATOM 318 CD GLU A 20 4.666 -12.727 2.219 1.00 0.00 C ATOM 319 OE1 GLU A 20 4.621 -13.416 3.225 1.00 0.00 O ATOM 320 OE2 GLU A 20 5.443 -12.916 1.297 1.00 0.00 O ATOM 0 H GLU A 20 2.453 -9.836 1.460 1.00 0.00 H new ATOM 0 HA GLU A 20 4.277 -8.230 2.907 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.072 -10.700 3.529 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.394 -10.307 3.846 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.680 -11.884 2.359 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.657 -11.191 1.079 1.00 0.00 H new ATOM 327 N CYS A 21 5.940 -8.145 0.751 1.00 0.00 N ATOM 328 CA CYS A 21 7.306 -8.123 0.141 1.00 0.00 C ATOM 329 C CYS A 21 8.283 -7.486 1.133 1.00 0.00 C ATOM 330 O CYS A 21 9.442 -7.846 1.187 1.00 0.00 O ATOM 331 CB CYS A 21 7.285 -7.355 -1.204 1.00 0.00 C ATOM 332 SG CYS A 21 5.753 -6.416 -1.456 1.00 0.00 S ATOM 0 H CYS A 21 5.310 -7.395 0.469 1.00 0.00 H new ATOM 0 HA CYS A 21 7.633 -9.141 -0.071 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.134 -6.672 -1.240 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.410 -8.063 -2.023 1.00 0.00 H new ATOM 0 HG CYS A 21 4.752 -7.076 -0.953 1.00 0.00 H new ATOM 338 N ILE A 22 7.821 -6.556 1.935 1.00 0.00 N ATOM 339 CA ILE A 22 8.733 -5.924 2.939 1.00 0.00 C ATOM 340 C ILE A 22 8.889 -6.839 4.137 1.00 0.00 C ATOM 341 O ILE A 22 9.973 -7.198 4.519 1.00 0.00 O ATOM 342 CB ILE A 22 8.061 -4.635 3.413 1.00 0.00 C ATOM 343 CG1 ILE A 22 7.725 -3.679 2.258 1.00 0.00 C ATOM 344 CG2 ILE A 22 9.006 -3.930 4.377 1.00 0.00 C ATOM 345 CD1 ILE A 22 8.344 -4.148 0.931 1.00 0.00 C ATOM 0 H ILE A 22 6.861 -6.210 1.938 1.00 0.00 H new ATOM 0 HA ILE A 22 9.710 -5.735 2.495 1.00 0.00 H new ATOM 0 HB ILE A 22 7.120 -4.906 3.892 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.643 -3.607 2.149 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.089 -2.679 2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.545 -3.006 4.728 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.209 -4.580 5.228 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.941 -3.698 3.866 1.00 0.00 H new ATOM 0 HD11 ILE A 22 8.083 -3.445 0.139 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.428 -4.195 1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.960 -5.137 0.680 1.00 0.00 H new ATOM 357 N ASN A 23 7.812 -7.208 4.753 1.00 0.00 N ATOM 358 CA ASN A 23 7.949 -8.097 5.935 1.00 0.00 C ATOM 359 C ASN A 23 8.596 -9.413 5.499 1.00 0.00 C ATOM 360 O ASN A 23 9.606 -9.814 6.031 1.00 0.00 O ATOM 361 CB ASN A 23 6.541 -8.315 6.485 1.00 0.00 C ATOM 362 CG ASN A 23 5.721 -9.152 5.514 1.00 0.00 C ATOM 363 OD1 ASN A 23 5.795 -8.949 4.322 1.00 0.00 O ATOM 364 ND2 ASN A 23 4.941 -10.092 5.975 1.00 0.00 N ATOM 0 H ASN A 23 6.860 -6.942 4.500 1.00 0.00 H new ATOM 0 HA ASN A 23 8.583 -7.663 6.708 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.594 -8.815 7.452 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.054 -7.354 6.649 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.390 -10.659 5.331 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.882 -10.259 6.980 1.00 0.00 H new ATOM 371 N ASP A 24 8.082 -10.065 4.490 1.00 0.00 N ATOM 372 CA ASP A 24 8.741 -11.316 4.043 1.00 0.00 C ATOM 373 C ASP A 24 10.193 -10.992 3.775 1.00 0.00 C ATOM 374 O ASP A 24 11.058 -11.844 3.792 1.00 0.00 O ATOM 375 CB ASP A 24 8.034 -11.721 2.754 1.00 0.00 C ATOM 376 CG ASP A 24 8.443 -13.143 2.368 1.00 0.00 C ATOM 377 OD1 ASP A 24 9.024 -13.819 3.201 1.00 0.00 O ATOM 378 OD2 ASP A 24 8.168 -13.532 1.245 1.00 0.00 O ATOM 0 H ASP A 24 7.250 -9.789 3.968 1.00 0.00 H new ATOM 0 HA ASP A 24 8.688 -12.121 4.776 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.954 -11.666 2.888 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.292 -11.028 1.953 1.00 0.00 H new ATOM 383 N LEU A 25 10.460 -9.742 3.536 1.00 0.00 N ATOM 384 CA LEU A 25 11.839 -9.318 3.277 1.00 0.00 C ATOM 385 C LEU A 25 12.534 -9.023 4.579 1.00 0.00 C ATOM 386 O LEU A 25 13.536 -9.607 4.944 1.00 0.00 O ATOM 387 CB LEU A 25 11.708 -8.013 2.482 1.00 0.00 C ATOM 388 CG LEU A 25 12.893 -7.058 2.781 1.00 0.00 C ATOM 389 CD1 LEU A 25 13.862 -7.039 1.615 1.00 0.00 C ATOM 390 CD2 LEU A 25 12.365 -5.649 3.037 1.00 0.00 C ATOM 0 H LEU A 25 9.766 -8.995 3.511 1.00 0.00 H new ATOM 0 HA LEU A 25 12.409 -10.083 2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.675 -8.235 1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.768 -7.522 2.734 1.00 0.00 H new ATOM 0 HG LEU A 25 13.418 -7.415 3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.688 -6.364 1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.249 -8.044 1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 25 13.346 -6.695 0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.200 -4.980 3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.829 -5.296 2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.688 -5.664 3.891 1.00 0.00 H new ATOM 402 N LEU A 26 12.028 -8.029 5.218 1.00 0.00 N ATOM 403 CA LEU A 26 12.628 -7.533 6.437 1.00 0.00 C ATOM 404 C LEU A 26 12.448 -8.506 7.594 1.00 0.00 C ATOM 405 O LEU A 26 13.044 -8.346 8.641 1.00 0.00 O ATOM 406 CB LEU A 26 11.895 -6.229 6.672 1.00 0.00 C ATOM 407 CG LEU A 26 12.136 -5.796 8.085 1.00 0.00 C ATOM 408 CD1 LEU A 26 13.620 -5.543 8.248 1.00 0.00 C ATOM 409 CD2 LEU A 26 11.355 -4.517 8.378 1.00 0.00 C ATOM 0 H LEU A 26 11.190 -7.528 4.924 1.00 0.00 H new ATOM 0 HA LEU A 26 13.708 -7.405 6.360 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.247 -5.466 5.977 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.828 -6.357 6.492 1.00 0.00 H new ATOM 0 HG LEU A 26 11.804 -6.568 8.780 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.825 -5.225 9.270 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.171 -6.459 8.035 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.934 -4.762 7.556 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.535 -4.208 9.408 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.681 -3.728 7.700 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.290 -4.700 8.235 1.00 0.00 H new ATOM 421 N GLN A 27 11.676 -9.534 7.414 1.00 0.00 N ATOM 422 CA GLN A 27 11.528 -10.509 8.498 1.00 0.00 C ATOM 423 C GLN A 27 12.863 -11.237 8.639 1.00 0.00 C ATOM 424 O GLN A 27 13.065 -12.032 9.536 1.00 0.00 O ATOM 425 CB GLN A 27 10.433 -11.450 8.017 1.00 0.00 C ATOM 426 CG GLN A 27 9.079 -10.768 8.188 1.00 0.00 C ATOM 427 CD GLN A 27 8.392 -11.248 9.460 1.00 0.00 C ATOM 428 OE1 GLN A 27 8.588 -12.367 9.893 1.00 0.00 O ATOM 429 NE2 GLN A 27 7.588 -10.434 10.079 1.00 0.00 N ATOM 0 H GLN A 27 11.147 -9.733 6.565 1.00 0.00 H new ATOM 0 HA GLN A 27 11.271 -10.077 9.465 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.594 -11.710 6.971 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.460 -12.380 8.585 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.213 -9.687 8.227 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.448 -10.980 7.325 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.428 -9.497 9.710 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.118 -10.733 10.933 1.00 0.00 H new ATOM 438 N ALA A 28 13.780 -10.975 7.727 1.00 0.00 N ATOM 439 CA ALA A 28 15.094 -11.651 7.776 1.00 0.00 C ATOM 440 C ALA A 28 16.264 -10.659 7.901 1.00 0.00 C ATOM 441 O ALA A 28 17.347 -11.054 8.284 1.00 0.00 O ATOM 442 CB ALA A 28 15.193 -12.397 6.448 1.00 0.00 C ATOM 0 H ALA A 28 13.660 -10.319 6.956 1.00 0.00 H new ATOM 0 HA ALA A 28 15.162 -12.301 8.648 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.143 -12.929 6.400 1.00 0.00 H new ATOM 0 HB2 ALA A 28 14.373 -13.111 6.369 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.134 -11.685 5.625 1.00 0.00 H new ATOM 448 N VAL A 29 16.108 -9.387 7.584 1.00 0.00 N ATOM 449 CA VAL A 29 17.295 -8.497 7.718 1.00 0.00 C ATOM 450 C VAL A 29 17.161 -7.608 8.939 1.00 0.00 C ATOM 451 O VAL A 29 17.947 -6.706 9.141 1.00 0.00 O ATOM 452 CB VAL A 29 17.397 -7.700 6.398 1.00 0.00 C ATOM 453 CG1 VAL A 29 16.008 -7.428 5.820 1.00 0.00 C ATOM 454 CG2 VAL A 29 18.113 -6.367 6.638 1.00 0.00 C ATOM 0 H VAL A 29 15.248 -8.950 7.254 1.00 0.00 H new ATOM 0 HA VAL A 29 18.214 -9.063 7.874 1.00 0.00 H new ATOM 0 HB VAL A 29 17.967 -8.298 5.687 1.00 0.00 H new ATOM 0 HG11 VAL A 29 16.104 -6.866 4.891 1.00 0.00 H new ATOM 0 HG12 VAL A 29 15.505 -8.374 5.621 1.00 0.00 H new ATOM 0 HG13 VAL A 29 15.423 -6.850 6.535 1.00 0.00 H new ATOM 0 HG21 VAL A 29 18.178 -5.815 5.700 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.554 -5.780 7.366 1.00 0.00 H new ATOM 0 HG23 VAL A 29 19.117 -6.556 7.018 1.00 0.00 H new ATOM 464 N ASP A 30 16.211 -7.882 9.786 1.00 0.00 N ATOM 465 CA ASP A 30 16.087 -7.063 11.015 1.00 0.00 C ATOM 466 C ASP A 30 16.210 -5.602 10.655 1.00 0.00 C ATOM 467 O ASP A 30 17.300 -5.074 10.563 1.00 0.00 O ATOM 468 CB ASP A 30 17.289 -7.479 11.843 1.00 0.00 C ATOM 469 CG ASP A 30 16.910 -8.635 12.771 1.00 0.00 C ATOM 470 OD1 ASP A 30 16.057 -9.418 12.390 1.00 0.00 O ATOM 471 OD2 ASP A 30 17.480 -8.716 13.847 1.00 0.00 O ATOM 0 H ASP A 30 15.524 -8.629 9.681 1.00 0.00 H new ATOM 0 HA ASP A 30 15.138 -7.203 11.533 1.00 0.00 H new ATOM 0 HB2 ASP A 30 18.106 -7.781 11.187 1.00 0.00 H new ATOM 0 HB3 ASP A 30 17.647 -6.633 12.430 1.00 0.00 H new ATOM 476 N SER A 31 15.140 -4.933 10.400 1.00 0.00 N ATOM 477 CA SER A 31 15.316 -3.541 9.992 1.00 0.00 C ATOM 478 C SER A 31 13.988 -2.796 10.069 1.00 0.00 C ATOM 479 O SER A 31 13.435 -2.374 9.073 1.00 0.00 O ATOM 480 CB SER A 31 15.829 -3.739 8.567 1.00 0.00 C ATOM 481 OG SER A 31 16.888 -2.838 8.315 1.00 0.00 O ATOM 0 H SER A 31 14.182 -5.278 10.454 1.00 0.00 H new ATOM 0 HA SER A 31 15.984 -2.937 10.606 1.00 0.00 H new ATOM 0 HB2 SER A 31 16.171 -4.765 8.432 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.022 -3.576 7.853 1.00 0.00 H new ATOM 0 HG SER A 31 17.641 -3.045 8.907 1.00 0.00 H new ATOM 487 N GLN A 32 13.472 -2.639 11.257 1.00 0.00 N ATOM 488 CA GLN A 32 12.174 -1.936 11.420 1.00 0.00 C ATOM 489 C GLN A 32 12.180 -0.634 10.631 1.00 0.00 C ATOM 490 O GLN A 32 11.149 -0.104 10.301 1.00 0.00 O ATOM 491 CB GLN A 32 12.051 -1.666 12.918 1.00 0.00 C ATOM 492 CG GLN A 32 10.577 -1.684 13.314 1.00 0.00 C ATOM 493 CD GLN A 32 10.401 -2.540 14.562 1.00 0.00 C ATOM 494 OE1 GLN A 32 11.171 -2.441 15.497 1.00 0.00 O ATOM 495 NE2 GLN A 32 9.414 -3.384 14.618 1.00 0.00 N ATOM 0 H GLN A 32 13.897 -2.970 12.123 1.00 0.00 H new ATOM 0 HA GLN A 32 11.335 -2.524 11.049 1.00 0.00 H new ATOM 0 HB2 GLN A 32 12.600 -2.420 13.482 1.00 0.00 H new ATOM 0 HB3 GLN A 32 12.494 -0.700 13.163 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.227 -0.669 13.503 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.974 -2.082 12.498 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.768 -3.466 13.833 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.285 -3.964 15.447 1.00 0.00 H new ATOM 504 N GLU A 33 13.325 -0.119 10.297 1.00 0.00 N ATOM 505 CA GLU A 33 13.339 1.132 9.500 1.00 0.00 C ATOM 506 C GLU A 33 12.708 0.845 8.141 1.00 0.00 C ATOM 507 O GLU A 33 12.133 1.712 7.513 1.00 0.00 O ATOM 508 CB GLU A 33 14.808 1.505 9.356 1.00 0.00 C ATOM 509 CG GLU A 33 15.500 1.387 10.715 1.00 0.00 C ATOM 510 CD GLU A 33 16.516 2.518 10.871 1.00 0.00 C ATOM 511 OE1 GLU A 33 16.295 3.572 10.296 1.00 0.00 O ATOM 512 OE2 GLU A 33 17.499 2.314 11.565 1.00 0.00 O ATOM 0 H GLU A 33 14.239 -0.503 10.537 1.00 0.00 H new ATOM 0 HA GLU A 33 12.779 1.945 9.963 1.00 0.00 H new ATOM 0 HB2 GLU A 33 15.291 0.849 8.632 1.00 0.00 H new ATOM 0 HB3 GLU A 33 14.900 2.522 8.976 1.00 0.00 H new ATOM 0 HG2 GLU A 33 14.762 1.434 11.516 1.00 0.00 H new ATOM 0 HG3 GLU A 33 15.999 0.422 10.798 1.00 0.00 H new ATOM 519 N VAL A 34 12.789 -0.382 7.696 1.00 0.00 N ATOM 520 CA VAL A 34 12.170 -0.744 6.393 1.00 0.00 C ATOM 521 C VAL A 34 10.669 -0.970 6.612 1.00 0.00 C ATOM 522 O VAL A 34 9.849 -0.560 5.816 1.00 0.00 O ATOM 523 CB VAL A 34 12.913 -2.021 5.931 1.00 0.00 C ATOM 524 CG1 VAL A 34 11.925 -3.097 5.475 1.00 0.00 C ATOM 525 CG2 VAL A 34 13.820 -1.672 4.753 1.00 0.00 C ATOM 0 H VAL A 34 13.258 -1.147 8.181 1.00 0.00 H new ATOM 0 HA VAL A 34 12.258 0.029 5.629 1.00 0.00 H new ATOM 0 HB VAL A 34 13.493 -2.403 6.771 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.474 -3.983 5.156 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.264 -3.358 6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.333 -2.718 4.642 1.00 0.00 H new ATOM 0 HG21 VAL A 34 14.347 -2.567 4.422 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.217 -1.281 3.933 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.544 -0.918 5.062 1.00 0.00 H new ATOM 535 N ARG A 35 10.304 -1.583 7.704 1.00 0.00 N ATOM 536 CA ARG A 35 8.861 -1.785 7.990 1.00 0.00 C ATOM 537 C ARG A 35 8.293 -0.470 8.509 1.00 0.00 C ATOM 538 O ARG A 35 7.244 -0.019 8.093 1.00 0.00 O ATOM 539 CB ARG A 35 8.830 -2.833 9.079 1.00 0.00 C ATOM 540 CG ARG A 35 8.158 -4.103 8.567 1.00 0.00 C ATOM 541 CD ARG A 35 7.318 -4.695 9.690 1.00 0.00 C ATOM 542 NE ARG A 35 6.550 -5.805 9.064 1.00 0.00 N ATOM 543 CZ ARG A 35 5.986 -6.717 9.812 1.00 0.00 C ATOM 544 NH1 ARG A 35 6.152 -6.694 11.107 1.00 0.00 N ATOM 545 NH2 ARG A 35 5.255 -7.649 9.265 1.00 0.00 N ATOM 0 H ARG A 35 10.944 -1.951 8.408 1.00 0.00 H new ATOM 0 HA ARG A 35 8.281 -2.092 7.119 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.845 -3.057 9.408 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.291 -2.451 9.946 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.531 -3.878 7.704 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.908 -4.821 8.237 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.948 -5.061 10.501 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.650 -3.947 10.118 1.00 0.00 H new ATOM 0 HE ARG A 35 6.463 -5.855 8.049 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.722 -5.964 11.535 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.712 -7.406 11.690 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.123 -7.666 8.254 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.815 -8.360 9.849 1.00 0.00 H new ATOM 559 N ASP A 36 9.017 0.174 9.389 1.00 0.00 N ATOM 560 CA ASP A 36 8.560 1.487 9.903 1.00 0.00 C ATOM 561 C ASP A 36 8.401 2.386 8.694 1.00 0.00 C ATOM 562 O ASP A 36 7.590 3.288 8.652 1.00 0.00 O ATOM 563 CB ASP A 36 9.689 1.991 10.808 1.00 0.00 C ATOM 564 CG ASP A 36 9.176 3.155 11.659 1.00 0.00 C ATOM 565 OD1 ASP A 36 8.313 2.921 12.489 1.00 0.00 O ATOM 566 OD2 ASP A 36 9.654 4.260 11.463 1.00 0.00 O ATOM 0 H ASP A 36 9.903 -0.158 9.770 1.00 0.00 H new ATOM 0 HA ASP A 36 7.621 1.451 10.456 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.043 1.185 11.450 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.538 2.313 10.205 1.00 0.00 H new ATOM 571 N TYR A 37 9.166 2.083 7.688 1.00 0.00 N ATOM 572 CA TYR A 37 9.106 2.815 6.422 1.00 0.00 C ATOM 573 C TYR A 37 7.900 2.284 5.658 1.00 0.00 C ATOM 574 O TYR A 37 7.042 3.015 5.219 1.00 0.00 O ATOM 575 CB TYR A 37 10.416 2.448 5.728 1.00 0.00 C ATOM 576 CG TYR A 37 10.211 2.535 4.247 1.00 0.00 C ATOM 577 CD1 TYR A 37 9.587 1.474 3.593 1.00 0.00 C ATOM 578 CD2 TYR A 37 10.572 3.686 3.548 1.00 0.00 C ATOM 579 CE1 TYR A 37 9.322 1.554 2.237 1.00 0.00 C ATOM 580 CE2 TYR A 37 10.297 3.777 2.182 1.00 0.00 C ATOM 581 CZ TYR A 37 9.670 2.714 1.526 1.00 0.00 C ATOM 582 OH TYR A 37 9.388 2.816 0.178 1.00 0.00 O ATOM 0 H TYR A 37 9.852 1.328 7.704 1.00 0.00 H new ATOM 0 HA TYR A 37 9.000 3.896 6.512 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.212 3.124 6.040 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.724 1.441 6.009 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.310 0.588 4.145 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.061 4.502 4.060 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.849 0.727 1.727 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.568 4.667 1.634 1.00 0.00 H new ATOM 0 HH TYR A 37 10.218 2.971 -0.319 1.00 0.00 H new ATOM 592 N CYS A 38 7.833 0.994 5.529 1.00 0.00 N ATOM 593 CA CYS A 38 6.702 0.359 4.820 1.00 0.00 C ATOM 594 C CYS A 38 5.386 0.885 5.389 1.00 0.00 C ATOM 595 O CYS A 38 4.527 1.346 4.667 1.00 0.00 O ATOM 596 CB CYS A 38 6.904 -1.121 5.115 1.00 0.00 C ATOM 597 SG CYS A 38 5.883 -2.128 4.023 1.00 0.00 S ATOM 0 H CYS A 38 8.529 0.343 5.893 1.00 0.00 H new ATOM 0 HA CYS A 38 6.665 0.562 3.750 1.00 0.00 H new ATOM 0 HB2 CYS A 38 7.954 -1.384 4.985 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.649 -1.329 6.154 1.00 0.00 H new ATOM 0 HG CYS A 38 5.268 -1.360 3.173 1.00 0.00 H new ATOM 603 N GLU A 39 5.235 0.859 6.680 1.00 0.00 N ATOM 604 CA GLU A 39 3.995 1.406 7.280 1.00 0.00 C ATOM 605 C GLU A 39 4.055 2.925 7.184 1.00 0.00 C ATOM 606 O GLU A 39 3.072 3.609 7.391 1.00 0.00 O ATOM 607 CB GLU A 39 4.022 0.956 8.737 1.00 0.00 C ATOM 608 CG GLU A 39 5.366 1.351 9.344 1.00 0.00 C ATOM 609 CD GLU A 39 5.141 2.306 10.517 1.00 0.00 C ATOM 610 OE1 GLU A 39 4.827 3.457 10.267 1.00 0.00 O ATOM 611 OE2 GLU A 39 5.287 1.870 11.648 1.00 0.00 O ATOM 0 H GLU A 39 5.914 0.484 7.342 1.00 0.00 H new ATOM 0 HA GLU A 39 3.086 1.067 6.784 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.206 1.419 9.291 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.880 -0.123 8.802 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.898 0.462 9.683 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.991 1.828 8.589 1.00 0.00 H new ATOM 618 N LYS A 40 5.192 3.461 6.811 1.00 0.00 N ATOM 619 CA LYS A 40 5.277 4.925 6.642 1.00 0.00 C ATOM 620 C LYS A 40 4.824 5.188 5.229 1.00 0.00 C ATOM 621 O LYS A 40 4.218 6.191 4.903 1.00 0.00 O ATOM 622 CB LYS A 40 6.748 5.311 6.791 1.00 0.00 C ATOM 623 CG LYS A 40 6.910 6.794 6.463 1.00 0.00 C ATOM 624 CD LYS A 40 8.292 7.259 6.918 1.00 0.00 C ATOM 625 CE LYS A 40 9.005 7.959 5.759 1.00 0.00 C ATOM 626 NZ LYS A 40 10.186 8.625 6.377 1.00 0.00 N ATOM 0 H LYS A 40 6.051 2.945 6.620 1.00 0.00 H new ATOM 0 HA LYS A 40 4.678 5.484 7.361 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.088 5.111 7.807 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.365 4.709 6.124 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.792 6.957 5.392 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.135 7.376 6.961 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.198 7.939 7.764 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.880 6.407 7.258 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.310 7.245 4.995 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.352 8.685 5.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.725 9.127 5.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.865 9.304 7.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.794 7.909 6.824 1.00 0.00 H new ATOM 640 N LYS A 41 5.120 4.238 4.397 1.00 0.00 N ATOM 641 CA LYS A 41 4.738 4.311 2.984 1.00 0.00 C ATOM 642 C LYS A 41 3.248 4.163 2.902 1.00 0.00 C ATOM 643 O LYS A 41 2.519 5.008 2.419 1.00 0.00 O ATOM 644 CB LYS A 41 5.342 3.069 2.372 1.00 0.00 C ATOM 645 CG LYS A 41 6.837 2.969 2.577 1.00 0.00 C ATOM 646 CD LYS A 41 7.444 4.337 2.833 1.00 0.00 C ATOM 647 CE LYS A 41 7.654 5.037 1.498 1.00 0.00 C ATOM 648 NZ LYS A 41 7.894 6.467 1.838 1.00 0.00 N ATOM 0 H LYS A 41 5.627 3.391 4.655 1.00 0.00 H new ATOM 0 HA LYS A 41 5.056 5.236 2.503 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.863 2.190 2.803 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.127 3.057 1.303 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.049 2.310 3.419 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.299 2.521 1.697 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.787 4.929 3.470 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.393 4.236 3.360 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.502 4.613 0.960 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.781 4.927 0.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.047 7.011 0.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.068 6.847 2.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.735 6.543 2.445 1.00 0.00 H new ATOM 662 N GLY A 42 2.809 3.058 3.418 1.00 0.00 N ATOM 663 CA GLY A 42 1.374 2.766 3.447 1.00 0.00 C ATOM 664 C GLY A 42 1.066 1.306 3.115 1.00 0.00 C ATOM 665 O GLY A 42 0.272 1.002 2.252 1.00 0.00 O ATOM 0 H GLY A 42 3.402 2.336 3.827 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.979 3.002 4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.861 3.413 2.736 1.00 0.00 H new ATOM 669 N TRP A 43 1.640 0.405 3.853 1.00 0.00 N ATOM 670 CA TRP A 43 1.318 -1.038 3.665 1.00 0.00 C ATOM 671 C TRP A 43 0.910 -1.479 5.009 1.00 0.00 C ATOM 672 O TRP A 43 -0.112 -2.091 5.250 1.00 0.00 O ATOM 673 CB TRP A 43 2.547 -1.875 3.334 1.00 0.00 C ATOM 674 CG TRP A 43 3.529 -1.194 2.466 1.00 0.00 C ATOM 675 CD1 TRP A 43 3.770 0.118 2.466 1.00 0.00 C ATOM 676 CD2 TRP A 43 4.474 -1.771 1.513 1.00 0.00 C ATOM 677 NE1 TRP A 43 4.746 0.382 1.589 1.00 0.00 N ATOM 678 CE2 TRP A 43 5.235 -0.720 0.984 1.00 0.00 C ATOM 679 CE3 TRP A 43 4.746 -3.070 1.058 1.00 0.00 C ATOM 680 CZ2 TRP A 43 6.233 -0.911 0.058 1.00 0.00 C ATOM 681 CZ3 TRP A 43 5.759 -3.284 0.114 1.00 0.00 C ATOM 682 CH2 TRP A 43 6.511 -2.205 -0.385 1.00 0.00 C ATOM 0 H TRP A 43 2.323 0.603 4.584 1.00 0.00 H new ATOM 0 HA TRP A 43 0.590 -1.154 2.862 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.038 -2.162 4.264 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.225 -2.795 2.847 1.00 0.00 H new ATOM 0 HD1 TRP A 43 3.260 0.849 3.075 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.087 1.324 1.397 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.174 -3.905 1.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.795 -0.070 -0.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.964 -4.286 -0.233 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.297 -2.377 -1.105 1.00 0.00 H new ATOM 693 N ILE A 44 1.758 -1.084 5.895 1.00 0.00 N ATOM 694 CA ILE A 44 1.601 -1.327 7.325 1.00 0.00 C ATOM 695 C ILE A 44 2.087 -2.709 7.697 1.00 0.00 C ATOM 696 O ILE A 44 1.802 -3.220 8.761 1.00 0.00 O ATOM 697 CB ILE A 44 0.131 -1.203 7.636 1.00 0.00 C ATOM 698 CG1 ILE A 44 -0.471 -0.018 6.888 1.00 0.00 C ATOM 699 CG2 ILE A 44 -0.011 -0.985 9.140 1.00 0.00 C ATOM 700 CD1 ILE A 44 -1.882 -0.387 6.434 1.00 0.00 C ATOM 0 H ILE A 44 2.607 -0.569 5.660 1.00 0.00 H new ATOM 0 HA ILE A 44 2.190 -0.609 7.895 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.394 -2.106 7.325 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.500 0.860 7.533 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.147 0.239 6.028 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.066 -0.891 9.396 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.418 -1.834 9.673 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.514 -0.074 9.427 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.323 0.453 5.898 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.837 -1.255 5.776 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.494 -0.623 7.304 1.00 0.00 H new ATOM 712 N VAL A 45 2.790 -3.305 6.801 1.00 0.00 N ATOM 713 CA VAL A 45 3.316 -4.680 7.013 1.00 0.00 C ATOM 714 C VAL A 45 3.552 -4.961 8.500 1.00 0.00 C ATOM 715 O VAL A 45 4.513 -4.510 9.088 1.00 0.00 O ATOM 716 CB VAL A 45 4.628 -4.697 6.246 1.00 0.00 C ATOM 717 CG1 VAL A 45 4.348 -4.699 4.741 1.00 0.00 C ATOM 718 CG2 VAL A 45 5.458 -3.468 6.621 1.00 0.00 C ATOM 0 H VAL A 45 3.035 -2.893 5.901 1.00 0.00 H new ATOM 0 HA VAL A 45 2.619 -5.446 6.673 1.00 0.00 H new ATOM 0 HB VAL A 45 5.185 -5.597 6.504 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.292 -4.711 4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.767 -5.583 4.480 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.786 -3.804 4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.398 -3.482 6.070 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.904 -2.564 6.369 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.664 -3.481 7.691 1.00 0.00 H new ATOM 728 N ASN A 46 2.668 -5.699 9.111 1.00 0.00 N ATOM 729 CA ASN A 46 2.825 -6.011 10.558 1.00 0.00 C ATOM 730 C ASN A 46 1.791 -7.060 10.975 1.00 0.00 C ATOM 731 O ASN A 46 0.601 -6.852 10.855 1.00 0.00 O ATOM 732 CB ASN A 46 2.572 -4.686 11.278 1.00 0.00 C ATOM 733 CG ASN A 46 2.344 -4.943 12.768 1.00 0.00 C ATOM 734 OD1 ASN A 46 2.671 -6.000 13.272 1.00 0.00 O ATOM 735 ND2 ASN A 46 1.791 -4.014 13.498 1.00 0.00 N ATOM 0 H ASN A 46 1.841 -6.101 8.669 1.00 0.00 H new ATOM 0 HA ASN A 46 3.808 -6.417 10.796 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.423 -4.018 11.140 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.703 -4.188 10.848 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.633 -4.174 14.493 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.517 -3.128 13.074 1.00 0.00 H new ATOM 1216 N THR B 15 13.962 -15.502 -9.915 1.00 0.00 N ATOM 1217 CA THR B 15 14.680 -14.274 -9.469 1.00 0.00 C ATOM 1218 C THR B 15 13.969 -13.026 -10.006 1.00 0.00 C ATOM 1219 O THR B 15 13.992 -12.757 -11.190 1.00 0.00 O ATOM 1220 CB THR B 15 16.081 -14.393 -10.063 1.00 0.00 C ATOM 1221 OG1 THR B 15 15.988 -14.826 -11.413 1.00 0.00 O ATOM 1222 CG2 THR B 15 16.892 -15.404 -9.251 1.00 0.00 C ATOM 0 HA THR B 15 14.709 -14.182 -8.383 1.00 0.00 H new ATOM 0 HB THR B 15 16.576 -13.423 -10.030 1.00 0.00 H new ATOM 0 HG1 THR B 15 15.247 -15.461 -11.502 1.00 0.00 H new ATOM 0 HG21 THR B 15 17.893 -15.491 -9.673 1.00 0.00 H new ATOM 0 HG22 THR B 15 16.962 -15.067 -8.217 1.00 0.00 H new ATOM 0 HG23 THR B 15 16.399 -16.376 -9.283 1.00 0.00 H new ATOM 1230 N SER B 16 13.331 -12.266 -9.147 1.00 0.00 N ATOM 1231 CA SER B 16 12.621 -11.041 -9.624 1.00 0.00 C ATOM 1232 C SER B 16 13.656 -10.060 -10.260 1.00 0.00 C ATOM 1233 O SER B 16 14.323 -10.489 -11.180 1.00 0.00 O ATOM 1234 CB SER B 16 11.873 -10.530 -8.394 1.00 0.00 C ATOM 1235 OG SER B 16 11.005 -11.554 -7.926 1.00 0.00 O ATOM 0 H SER B 16 13.272 -12.441 -8.144 1.00 0.00 H new ATOM 0 HA SER B 16 11.898 -11.200 -10.424 1.00 0.00 H new ATOM 0 HB2 SER B 16 12.579 -10.248 -7.613 1.00 0.00 H new ATOM 0 HB3 SER B 16 11.301 -9.636 -8.644 1.00 0.00 H new ATOM 0 HG SER B 16 10.521 -11.237 -7.135 1.00 0.00 H new ATOM 1241 N PRO B 17 13.830 -8.791 -9.850 1.00 0.00 N ATOM 1242 CA PRO B 17 13.152 -8.047 -8.769 1.00 0.00 C ATOM 1243 C PRO B 17 12.263 -6.958 -9.361 1.00 0.00 C ATOM 1244 O PRO B 17 12.236 -5.857 -8.848 1.00 0.00 O ATOM 1245 CB PRO B 17 14.334 -7.324 -8.133 1.00 0.00 C ATOM 1246 CG PRO B 17 15.356 -7.204 -9.222 1.00 0.00 C ATOM 1247 CD PRO B 17 14.780 -7.877 -10.426 1.00 0.00 C ATOM 0 HA PRO B 17 12.549 -8.681 -8.119 1.00 0.00 H new ATOM 0 HB2 PRO B 17 14.040 -6.343 -7.759 1.00 0.00 H new ATOM 0 HB3 PRO B 17 14.727 -7.884 -7.284 1.00 0.00 H new ATOM 0 HG2 PRO B 17 15.577 -6.158 -9.432 1.00 0.00 H new ATOM 0 HG3 PRO B 17 16.294 -7.675 -8.927 1.00 0.00 H new ATOM 0 HD2 PRO B 17 14.301 -7.165 -11.098 1.00 0.00 H new ATOM 0 HD3 PRO B 17 15.544 -8.397 -11.004 1.00 0.00 H new ATOM 1255 N PRO B 18 11.610 -7.249 -10.444 1.00 0.00 N ATOM 1256 CA PRO B 18 10.798 -6.213 -11.097 1.00 0.00 C ATOM 1257 C PRO B 18 9.707 -5.666 -10.158 1.00 0.00 C ATOM 1258 O PRO B 18 9.452 -4.478 -10.181 1.00 0.00 O ATOM 1259 CB PRO B 18 10.301 -6.898 -12.367 1.00 0.00 C ATOM 1260 CG PRO B 18 10.358 -8.355 -12.070 1.00 0.00 C ATOM 1261 CD PRO B 18 11.537 -8.533 -11.152 1.00 0.00 C ATOM 0 HA PRO B 18 11.345 -5.305 -11.349 1.00 0.00 H new ATOM 0 HB2 PRO B 18 9.286 -6.585 -12.612 1.00 0.00 H new ATOM 0 HB3 PRO B 18 10.928 -6.645 -13.222 1.00 0.00 H new ATOM 0 HG2 PRO B 18 9.437 -8.695 -11.596 1.00 0.00 H new ATOM 0 HG3 PRO B 18 10.481 -8.937 -12.983 1.00 0.00 H new ATOM 0 HD2 PRO B 18 11.389 -9.364 -10.463 1.00 0.00 H new ATOM 0 HD3 PRO B 18 12.452 -8.739 -11.707 1.00 0.00 H new ATOM 1269 N PRO B 19 9.143 -6.488 -9.298 1.00 0.00 N ATOM 1270 CA PRO B 19 8.169 -5.949 -8.324 1.00 0.00 C ATOM 1271 C PRO B 19 8.974 -5.157 -7.292 1.00 0.00 C ATOM 1272 O PRO B 19 9.253 -5.632 -6.212 1.00 0.00 O ATOM 1273 CB PRO B 19 7.536 -7.191 -7.704 1.00 0.00 C ATOM 1274 CG PRO B 19 8.558 -8.265 -7.881 1.00 0.00 C ATOM 1275 CD PRO B 19 9.324 -7.939 -9.138 1.00 0.00 C ATOM 0 HA PRO B 19 7.405 -5.294 -8.743 1.00 0.00 H new ATOM 0 HB2 PRO B 19 7.305 -7.034 -6.650 1.00 0.00 H new ATOM 0 HB3 PRO B 19 6.600 -7.449 -8.201 1.00 0.00 H new ATOM 0 HG2 PRO B 19 9.227 -8.307 -7.021 1.00 0.00 H new ATOM 0 HG3 PRO B 19 8.081 -9.242 -7.962 1.00 0.00 H new ATOM 0 HD2 PRO B 19 10.378 -8.202 -9.043 1.00 0.00 H new ATOM 0 HD3 PRO B 19 8.935 -8.487 -9.996 1.00 0.00 H new ATOM 1283 N GLU B 20 9.406 -3.980 -7.666 1.00 0.00 N ATOM 1284 CA GLU B 20 10.267 -3.140 -6.770 1.00 0.00 C ATOM 1285 C GLU B 20 9.639 -2.863 -5.399 1.00 0.00 C ATOM 1286 O GLU B 20 9.557 -1.731 -4.983 1.00 0.00 O ATOM 1287 CB GLU B 20 10.456 -1.816 -7.520 1.00 0.00 C ATOM 1288 CG GLU B 20 9.139 -1.386 -8.170 1.00 0.00 C ATOM 1289 CD GLU B 20 8.812 0.050 -7.756 1.00 0.00 C ATOM 1290 OE1 GLU B 20 9.257 0.959 -8.438 1.00 0.00 O ATOM 1291 OE2 GLU B 20 8.122 0.218 -6.764 1.00 0.00 O ATOM 0 H GLU B 20 9.196 -3.556 -8.570 1.00 0.00 H new ATOM 0 HA GLU B 20 11.199 -3.665 -6.562 1.00 0.00 H new ATOM 0 HB2 GLU B 20 10.799 -1.045 -6.831 1.00 0.00 H new ATOM 0 HB3 GLU B 20 11.227 -1.928 -8.282 1.00 0.00 H new ATOM 0 HG2 GLU B 20 9.217 -1.454 -9.255 1.00 0.00 H new ATOM 0 HG3 GLU B 20 8.335 -2.056 -7.865 1.00 0.00 H new ATOM 1298 N CYS B 21 9.242 -3.860 -4.664 1.00 0.00 N ATOM 1299 CA CYS B 21 8.689 -3.558 -3.306 1.00 0.00 C ATOM 1300 C CYS B 21 9.851 -3.346 -2.328 1.00 0.00 C ATOM 1301 O CYS B 21 9.755 -2.574 -1.396 1.00 0.00 O ATOM 1302 CB CYS B 21 7.754 -4.702 -2.839 1.00 0.00 C ATOM 1303 SG CYS B 21 7.901 -6.194 -3.861 1.00 0.00 S ATOM 0 H CYS B 21 9.272 -4.845 -4.928 1.00 0.00 H new ATOM 0 HA CYS B 21 8.093 -2.646 -3.342 1.00 0.00 H new ATOM 0 HB2 CYS B 21 7.984 -4.953 -1.803 1.00 0.00 H new ATOM 0 HB3 CYS B 21 6.722 -4.353 -2.861 1.00 0.00 H new ATOM 0 HG CYS B 21 8.010 -5.855 -5.111 1.00 0.00 H new ATOM 1309 N ILE B 22 10.962 -4.011 -2.548 1.00 0.00 N ATOM 1310 CA ILE B 22 12.140 -3.825 -1.642 1.00 0.00 C ATOM 1311 C ILE B 22 12.873 -2.549 -2.010 1.00 0.00 C ATOM 1312 O ILE B 22 13.077 -1.681 -1.200 1.00 0.00 O ATOM 1313 CB ILE B 22 13.079 -5.005 -1.902 1.00 0.00 C ATOM 1314 CG1 ILE B 22 12.407 -6.360 -1.649 1.00 0.00 C ATOM 1315 CG2 ILE B 22 14.299 -4.886 -0.997 1.00 0.00 C ATOM 1316 CD1 ILE B 22 11.003 -6.202 -1.040 1.00 0.00 C ATOM 0 H ILE B 22 11.103 -4.671 -3.312 1.00 0.00 H new ATOM 0 HA ILE B 22 11.822 -3.770 -0.601 1.00 0.00 H new ATOM 0 HB ILE B 22 13.363 -4.966 -2.954 1.00 0.00 H new ATOM 0 HG12 ILE B 22 12.335 -6.910 -2.587 1.00 0.00 H new ATOM 0 HG13 ILE B 22 13.028 -6.953 -0.978 1.00 0.00 H new ATOM 0 HG21 ILE B 22 14.970 -5.725 -1.179 1.00 0.00 H new ATOM 0 HG22 ILE B 22 14.819 -3.952 -1.209 1.00 0.00 H new ATOM 0 HG23 ILE B 22 13.981 -4.896 0.046 1.00 0.00 H new ATOM 0 HD11 ILE B 22 10.564 -7.186 -0.877 1.00 0.00 H new ATOM 0 HD12 ILE B 22 11.076 -5.676 -0.088 1.00 0.00 H new ATOM 0 HD13 ILE B 22 10.373 -5.632 -1.722 1.00 0.00 H new ATOM 1328 N ASN B 23 13.290 -2.432 -3.228 1.00 0.00 N ATOM 1329 CA ASN B 23 14.016 -1.193 -3.609 1.00 0.00 C ATOM 1330 C ASN B 23 13.085 0.008 -3.428 1.00 0.00 C ATOM 1331 O ASN B 23 13.404 0.937 -2.722 1.00 0.00 O ATOM 1332 CB ASN B 23 14.443 -1.369 -5.066 1.00 0.00 C ATOM 1333 CG ASN B 23 13.225 -1.371 -5.979 1.00 0.00 C ATOM 1334 OD1 ASN B 23 12.229 -1.983 -5.666 1.00 0.00 O ATOM 1335 ND2 ASN B 23 13.263 -0.705 -7.101 1.00 0.00 N ATOM 0 H ASN B 23 13.166 -3.123 -3.968 1.00 0.00 H new ATOM 0 HA ASN B 23 14.894 -1.017 -2.988 1.00 0.00 H new ATOM 0 HB2 ASN B 23 15.119 -0.564 -5.353 1.00 0.00 H new ATOM 0 HB3 ASN B 23 14.993 -2.303 -5.180 1.00 0.00 H new ATOM 0 HD21 ASN B 23 12.451 -0.699 -7.718 1.00 0.00 H new ATOM 0 HD22 ASN B 23 14.105 -0.191 -7.361 1.00 0.00 H new ATOM 1342 N ASP B 24 11.906 -0.018 -3.990 1.00 0.00 N ATOM 1343 CA ASP B 24 10.992 1.129 -3.774 1.00 0.00 C ATOM 1344 C ASP B 24 10.856 1.330 -2.282 1.00 0.00 C ATOM 1345 O ASP B 24 10.521 2.394 -1.803 1.00 0.00 O ATOM 1346 CB ASP B 24 9.656 0.715 -4.381 1.00 0.00 C ATOM 1347 CG ASP B 24 8.735 1.931 -4.478 1.00 0.00 C ATOM 1348 OD1 ASP B 24 9.199 3.025 -4.201 1.00 0.00 O ATOM 1349 OD2 ASP B 24 7.581 1.748 -4.828 1.00 0.00 O ATOM 0 H ASP B 24 11.546 -0.770 -4.577 1.00 0.00 H new ATOM 0 HA ASP B 24 11.347 2.056 -4.224 1.00 0.00 H new ATOM 0 HB2 ASP B 24 9.813 0.286 -5.371 1.00 0.00 H new ATOM 0 HB3 ASP B 24 9.191 -0.057 -3.768 1.00 0.00 H new ATOM 1354 N LEU B 25 11.132 0.296 -1.541 1.00 0.00 N ATOM 1355 CA LEU B 25 11.045 0.391 -0.082 1.00 0.00 C ATOM 1356 C LEU B 25 12.346 0.906 0.472 1.00 0.00 C ATOM 1357 O LEU B 25 12.433 1.929 1.122 1.00 0.00 O ATOM 1358 CB LEU B 25 10.847 -1.051 0.399 1.00 0.00 C ATOM 1359 CG LEU B 25 11.465 -1.256 1.804 1.00 0.00 C ATOM 1360 CD1 LEU B 25 10.379 -1.262 2.863 1.00 0.00 C ATOM 1361 CD2 LEU B 25 12.234 -2.574 1.840 1.00 0.00 C ATOM 0 H LEU B 25 11.416 -0.616 -1.899 1.00 0.00 H new ATOM 0 HA LEU B 25 10.244 1.059 0.235 1.00 0.00 H new ATOM 0 HB2 LEU B 25 9.783 -1.286 0.428 1.00 0.00 H new ATOM 0 HB3 LEU B 25 11.307 -1.741 -0.309 1.00 0.00 H new ATOM 0 HG LEU B 25 12.149 -0.433 2.012 1.00 0.00 H new ATOM 0 HD11 LEU B 25 10.829 -1.407 3.845 1.00 0.00 H new ATOM 0 HD12 LEU B 25 9.847 -0.311 2.844 1.00 0.00 H new ATOM 0 HD13 LEU B 25 9.679 -2.073 2.662 1.00 0.00 H new ATOM 0 HD21 LEU B 25 12.668 -2.715 2.830 1.00 0.00 H new ATOM 0 HD22 LEU B 25 11.555 -3.398 1.620 1.00 0.00 H new ATOM 0 HD23 LEU B 25 13.030 -2.552 1.095 1.00 0.00 H new ATOM 1373 N LEU B 26 13.336 0.109 0.277 1.00 0.00 N ATOM 1374 CA LEU B 26 14.645 0.388 0.828 1.00 0.00 C ATOM 1375 C LEU B 26 15.315 1.561 0.125 1.00 0.00 C ATOM 1376 O LEU B 26 16.335 2.052 0.566 1.00 0.00 O ATOM 1377 CB LEU B 26 15.389 -0.913 0.602 1.00 0.00 C ATOM 1378 CG LEU B 26 16.857 -0.655 0.743 1.00 0.00 C ATOM 1379 CD1 LEU B 26 17.113 -0.169 2.154 1.00 0.00 C ATOM 1380 CD2 LEU B 26 17.634 -1.944 0.486 1.00 0.00 C ATOM 0 H LEU B 26 13.278 -0.754 -0.264 1.00 0.00 H new ATOM 0 HA LEU B 26 14.617 0.685 1.876 1.00 0.00 H new ATOM 0 HB2 LEU B 26 15.066 -1.664 1.323 1.00 0.00 H new ATOM 0 HB3 LEU B 26 15.168 -1.308 -0.390 1.00 0.00 H new ATOM 0 HG LEU B 26 17.183 0.094 0.022 1.00 0.00 H new ATOM 0 HD11 LEU B 26 18.177 0.027 2.284 1.00 0.00 H new ATOM 0 HD12 LEU B 26 16.551 0.748 2.330 1.00 0.00 H new ATOM 0 HD13 LEU B 26 16.795 -0.932 2.865 1.00 0.00 H new ATOM 0 HD21 LEU B 26 18.702 -1.752 0.590 1.00 0.00 H new ATOM 0 HD22 LEU B 26 17.330 -2.702 1.208 1.00 0.00 H new ATOM 0 HD23 LEU B 26 17.426 -2.299 -0.523 1.00 0.00 H new ATOM 1392 N GLN B 27 14.742 2.049 -0.934 1.00 0.00 N ATOM 1393 CA GLN B 27 15.344 3.209 -1.599 1.00 0.00 C ATOM 1394 C GLN B 27 15.180 4.406 -0.664 1.00 0.00 C ATOM 1395 O GLN B 27 15.689 5.481 -0.911 1.00 0.00 O ATOM 1396 CB GLN B 27 14.525 3.389 -2.868 1.00 0.00 C ATOM 1397 CG GLN B 27 14.966 2.354 -3.901 1.00 0.00 C ATOM 1398 CD GLN B 27 15.918 2.977 -4.912 1.00 0.00 C ATOM 1399 OE1 GLN B 27 15.842 4.154 -5.202 1.00 0.00 O ATOM 1400 NE2 GLN B 27 16.824 2.220 -5.464 1.00 0.00 N ATOM 0 H GLN B 27 13.887 1.691 -1.359 1.00 0.00 H new ATOM 0 HA GLN B 27 16.403 3.098 -1.831 1.00 0.00 H new ATOM 0 HB2 GLN B 27 13.463 3.273 -2.650 1.00 0.00 H new ATOM 0 HB3 GLN B 27 14.661 4.396 -3.263 1.00 0.00 H new ATOM 0 HG2 GLN B 27 15.455 1.518 -3.400 1.00 0.00 H new ATOM 0 HG3 GLN B 27 14.093 1.951 -4.415 1.00 0.00 H new ATOM 0 HE21 GLN B 27 16.883 1.232 -5.217 1.00 0.00 H new ATOM 0 HE22 GLN B 27 17.474 2.615 -6.143 1.00 0.00 H new ATOM 1409 N ALA B 28 14.441 4.222 0.411 1.00 0.00 N ATOM 1410 CA ALA B 28 14.215 5.339 1.354 1.00 0.00 C ATOM 1411 C ALA B 28 14.732 5.033 2.769 1.00 0.00 C ATOM 1412 O ALA B 28 14.939 5.946 3.543 1.00 0.00 O ATOM 1413 CB ALA B 28 12.699 5.520 1.382 1.00 0.00 C ATOM 0 H ALA B 28 13.991 3.342 0.664 1.00 0.00 H new ATOM 0 HA ALA B 28 14.753 6.231 1.032 1.00 0.00 H new ATOM 0 HB1 ALA B 28 12.442 6.333 2.061 1.00 0.00 H new ATOM 0 HB2 ALA B 28 12.342 5.758 0.380 1.00 0.00 H new ATOM 0 HB3 ALA B 28 12.229 4.599 1.725 1.00 0.00 H new ATOM 1419 N VAL B 29 14.941 3.790 3.160 1.00 0.00 N ATOM 1420 CA VAL B 29 15.426 3.587 4.554 1.00 0.00 C ATOM 1421 C VAL B 29 16.902 3.238 4.563 1.00 0.00 C ATOM 1422 O VAL B 29 17.451 2.877 5.582 1.00 0.00 O ATOM 1423 CB VAL B 29 14.542 2.480 5.163 1.00 0.00 C ATOM 1424 CG1 VAL B 29 14.132 1.468 4.097 1.00 0.00 C ATOM 1425 CG2 VAL B 29 15.294 1.751 6.279 1.00 0.00 C ATOM 0 H VAL B 29 14.802 2.950 2.599 1.00 0.00 H new ATOM 0 HA VAL B 29 15.343 4.495 5.152 1.00 0.00 H new ATOM 0 HB VAL B 29 13.649 2.953 5.572 1.00 0.00 H new ATOM 0 HG11 VAL B 29 13.509 0.696 4.549 1.00 0.00 H new ATOM 0 HG12 VAL B 29 13.571 1.974 3.312 1.00 0.00 H new ATOM 0 HG13 VAL B 29 15.023 1.010 3.668 1.00 0.00 H new ATOM 0 HG21 VAL B 29 14.657 0.973 6.699 1.00 0.00 H new ATOM 0 HG22 VAL B 29 16.199 1.299 5.873 1.00 0.00 H new ATOM 0 HG23 VAL B 29 15.562 2.461 7.061 1.00 0.00 H new ATOM 1435 N ASP B 30 17.568 3.393 3.455 1.00 0.00 N ATOM 1436 CA ASP B 30 19.023 3.108 3.448 1.00 0.00 C ATOM 1437 C ASP B 30 19.277 1.798 4.155 1.00 0.00 C ATOM 1438 O ASP B 30 19.401 1.756 5.363 1.00 0.00 O ATOM 1439 CB ASP B 30 19.611 4.242 4.267 1.00 0.00 C ATOM 1440 CG ASP B 30 19.998 5.402 3.349 1.00 0.00 C ATOM 1441 OD1 ASP B 30 19.315 5.602 2.359 1.00 0.00 O ATOM 1442 OD2 ASP B 30 20.973 6.072 3.653 1.00 0.00 O ATOM 0 H ASP B 30 17.173 3.701 2.566 1.00 0.00 H new ATOM 0 HA ASP B 30 19.444 3.037 2.445 1.00 0.00 H new ATOM 0 HB2 ASP B 30 18.887 4.580 5.009 1.00 0.00 H new ATOM 0 HB3 ASP B 30 20.487 3.891 4.813 1.00 0.00 H new ATOM 1447 N SER B 31 19.318 0.715 3.458 1.00 0.00 N ATOM 1448 CA SER B 31 19.502 -0.534 4.197 1.00 0.00 C ATOM 1449 C SER B 31 19.875 -1.666 3.242 1.00 0.00 C ATOM 1450 O SER B 31 19.138 -2.613 3.058 1.00 0.00 O ATOM 1451 CB SER B 31 18.114 -0.688 4.817 1.00 0.00 C ATOM 1452 OG SER B 31 18.241 -1.115 6.158 1.00 0.00 O ATOM 0 H SER B 31 19.235 0.642 2.444 1.00 0.00 H new ATOM 0 HA SER B 31 20.305 -0.546 4.934 1.00 0.00 H new ATOM 0 HB2 SER B 31 17.578 0.260 4.775 1.00 0.00 H new ATOM 0 HB3 SER B 31 17.528 -1.410 4.248 1.00 0.00 H new ATOM 0 HG SER B 31 17.489 -1.701 6.387 1.00 0.00 H new ATOM 1458 N GLN B 32 21.024 -1.562 2.630 1.00 0.00 N ATOM 1459 CA GLN B 32 21.460 -2.614 1.673 1.00 0.00 C ATOM 1460 C GLN B 32 21.271 -3.996 2.287 1.00 0.00 C ATOM 1461 O GLN B 32 21.169 -4.974 1.590 1.00 0.00 O ATOM 1462 CB GLN B 32 22.940 -2.332 1.414 1.00 0.00 C ATOM 1463 CG GLN B 32 23.297 -2.777 -0.004 1.00 0.00 C ATOM 1464 CD GLN B 32 24.052 -1.655 -0.707 1.00 0.00 C ATOM 1465 OE1 GLN B 32 24.996 -1.110 -0.171 1.00 0.00 O ATOM 1466 NE2 GLN B 32 23.674 -1.284 -1.895 1.00 0.00 N ATOM 0 H GLN B 32 21.680 -0.791 2.753 1.00 0.00 H new ATOM 0 HA GLN B 32 20.880 -2.598 0.750 1.00 0.00 H new ATOM 0 HB2 GLN B 32 23.147 -1.269 1.537 1.00 0.00 H new ATOM 0 HB3 GLN B 32 23.556 -2.863 2.140 1.00 0.00 H new ATOM 0 HG2 GLN B 32 23.909 -3.679 0.028 1.00 0.00 H new ATOM 0 HG3 GLN B 32 22.392 -3.026 -0.559 1.00 0.00 H new ATOM 0 HE21 GLN B 32 22.881 -1.742 -2.344 1.00 0.00 H new ATOM 0 HE22 GLN B 32 24.170 -0.535 -2.377 1.00 0.00 H new ATOM 1475 N GLU B 33 21.191 -4.095 3.580 1.00 0.00 N ATOM 1476 CA GLU B 33 20.971 -5.435 4.180 1.00 0.00 C ATOM 1477 C GLU B 33 19.620 -5.950 3.702 1.00 0.00 C ATOM 1478 O GLU B 33 19.390 -7.137 3.588 1.00 0.00 O ATOM 1479 CB GLU B 33 20.951 -5.217 5.687 1.00 0.00 C ATOM 1480 CG GLU B 33 22.130 -4.333 6.098 1.00 0.00 C ATOM 1481 CD GLU B 33 22.646 -4.775 7.469 1.00 0.00 C ATOM 1482 OE1 GLU B 33 22.682 -5.972 7.709 1.00 0.00 O ATOM 1483 OE2 GLU B 33 22.997 -3.911 8.256 1.00 0.00 O ATOM 0 H GLU B 33 21.267 -3.320 4.239 1.00 0.00 H new ATOM 0 HA GLU B 33 21.739 -6.157 3.903 1.00 0.00 H new ATOM 0 HB2 GLU B 33 20.013 -4.749 5.984 1.00 0.00 H new ATOM 0 HB3 GLU B 33 21.006 -6.175 6.203 1.00 0.00 H new ATOM 0 HG2 GLU B 33 22.927 -4.404 5.358 1.00 0.00 H new ATOM 0 HG3 GLU B 33 21.820 -3.289 6.134 1.00 0.00 H new ATOM 1490 N VAL B 34 18.732 -5.045 3.407 1.00 0.00 N ATOM 1491 CA VAL B 34 17.391 -5.442 2.917 1.00 0.00 C ATOM 1492 C VAL B 34 17.488 -5.782 1.426 1.00 0.00 C ATOM 1493 O VAL B 34 16.931 -6.758 0.967 1.00 0.00 O ATOM 1494 CB VAL B 34 16.504 -4.220 3.210 1.00 0.00 C ATOM 1495 CG1 VAL B 34 15.537 -3.962 2.054 1.00 0.00 C ATOM 1496 CG2 VAL B 34 15.709 -4.489 4.489 1.00 0.00 C ATOM 0 H VAL B 34 18.882 -4.039 3.486 1.00 0.00 H new ATOM 0 HA VAL B 34 16.977 -6.330 3.395 1.00 0.00 H new ATOM 0 HB VAL B 34 17.136 -3.340 3.331 1.00 0.00 H new ATOM 0 HG11 VAL B 34 14.920 -3.093 2.283 1.00 0.00 H new ATOM 0 HG12 VAL B 34 16.103 -3.775 1.141 1.00 0.00 H new ATOM 0 HG13 VAL B 34 14.898 -4.834 1.912 1.00 0.00 H new ATOM 0 HG21 VAL B 34 15.075 -3.631 4.710 1.00 0.00 H new ATOM 0 HG22 VAL B 34 15.087 -5.374 4.352 1.00 0.00 H new ATOM 0 HG23 VAL B 34 16.398 -4.654 5.318 1.00 0.00 H new ATOM 1506 N ARG B 35 18.226 -5.014 0.673 1.00 0.00 N ATOM 1507 CA ARG B 35 18.392 -5.336 -0.768 1.00 0.00 C ATOM 1508 C ARG B 35 19.402 -6.471 -0.882 1.00 0.00 C ATOM 1509 O ARG B 35 19.199 -7.438 -1.590 1.00 0.00 O ATOM 1510 CB ARG B 35 18.951 -4.075 -1.383 1.00 0.00 C ATOM 1511 CG ARG B 35 17.940 -3.474 -2.356 1.00 0.00 C ATOM 1512 CD ARG B 35 18.698 -2.881 -3.535 1.00 0.00 C ATOM 1513 NE ARG B 35 17.659 -2.584 -4.559 1.00 0.00 N ATOM 1514 CZ ARG B 35 17.948 -1.824 -5.580 1.00 0.00 C ATOM 1515 NH1 ARG B 35 19.081 -1.174 -5.614 1.00 0.00 N ATOM 1516 NH2 ARG B 35 17.105 -1.717 -6.570 1.00 0.00 N ATOM 0 H ARG B 35 18.719 -4.181 0.994 1.00 0.00 H new ATOM 0 HA ARG B 35 17.468 -5.644 -1.257 1.00 0.00 H new ATOM 0 HB2 ARG B 35 19.188 -3.354 -0.601 1.00 0.00 H new ATOM 0 HB3 ARG B 35 19.882 -4.297 -1.905 1.00 0.00 H new ATOM 0 HG2 ARG B 35 17.244 -4.239 -2.699 1.00 0.00 H new ATOM 0 HG3 ARG B 35 17.348 -2.704 -1.860 1.00 0.00 H new ATOM 0 HD2 ARG B 35 19.234 -1.977 -3.244 1.00 0.00 H new ATOM 0 HD3 ARG B 35 19.440 -3.582 -3.919 1.00 0.00 H new ATOM 0 HE ARG B 35 16.722 -2.974 -4.463 1.00 0.00 H new ATOM 0 HH11 ARG B 35 19.742 -1.260 -4.842 1.00 0.00 H new ATOM 0 HH12 ARG B 35 19.305 -0.581 -6.413 1.00 0.00 H new ATOM 0 HH21 ARG B 35 16.222 -2.227 -6.545 1.00 0.00 H new ATOM 0 HH22 ARG B 35 17.329 -1.124 -7.369 1.00 0.00 H new ATOM 1530 N ASP B 36 20.475 -6.379 -0.138 1.00 0.00 N ATOM 1531 CA ASP B 36 21.476 -7.471 -0.149 1.00 0.00 C ATOM 1532 C ASP B 36 20.724 -8.732 0.224 1.00 0.00 C ATOM 1533 O ASP B 36 21.045 -9.830 -0.182 1.00 0.00 O ATOM 1534 CB ASP B 36 22.498 -7.106 0.932 1.00 0.00 C ATOM 1535 CG ASP B 36 23.757 -7.956 0.754 1.00 0.00 C ATOM 1536 OD1 ASP B 36 24.497 -7.694 -0.179 1.00 0.00 O ATOM 1537 OD2 ASP B 36 23.957 -8.856 1.554 1.00 0.00 O ATOM 0 H ASP B 36 20.695 -5.593 0.474 1.00 0.00 H new ATOM 0 HA ASP B 36 21.979 -7.614 -1.105 1.00 0.00 H new ATOM 0 HB2 ASP B 36 22.749 -6.047 0.867 1.00 0.00 H new ATOM 0 HB3 ASP B 36 22.071 -7.272 1.921 1.00 0.00 H new ATOM 1542 N TYR B 37 19.677 -8.537 0.970 1.00 0.00 N ATOM 1543 CA TYR B 37 18.803 -9.637 1.379 1.00 0.00 C ATOM 1544 C TYR B 37 17.899 -9.957 0.196 1.00 0.00 C ATOM 1545 O TYR B 37 17.813 -11.075 -0.262 1.00 0.00 O ATOM 1546 CB TYR B 37 18.012 -9.056 2.548 1.00 0.00 C ATOM 1547 CG TYR B 37 16.699 -9.767 2.627 1.00 0.00 C ATOM 1548 CD1 TYR B 37 15.667 -9.369 1.781 1.00 0.00 C ATOM 1549 CD2 TYR B 37 16.535 -10.857 3.483 1.00 0.00 C ATOM 1550 CE1 TYR B 37 14.462 -10.054 1.785 1.00 0.00 C ATOM 1551 CE2 TYR B 37 15.328 -11.557 3.484 1.00 0.00 C ATOM 1552 CZ TYR B 37 14.292 -11.160 2.636 1.00 0.00 C ATOM 1553 OH TYR B 37 13.106 -11.869 2.634 1.00 0.00 O ATOM 0 H TYR B 37 19.391 -7.622 1.319 1.00 0.00 H new ATOM 0 HA TYR B 37 19.315 -10.555 1.668 1.00 0.00 H new ATOM 0 HB2 TYR B 37 18.566 -9.177 3.479 1.00 0.00 H new ATOM 0 HB3 TYR B 37 17.857 -7.986 2.407 1.00 0.00 H new ATOM 0 HD1 TYR B 37 15.806 -8.526 1.121 1.00 0.00 H new ATOM 0 HD2 TYR B 37 17.337 -11.157 4.141 1.00 0.00 H new ATOM 0 HE1 TYR B 37 13.657 -9.739 1.137 1.00 0.00 H new ATOM 0 HE2 TYR B 37 15.195 -12.405 4.140 1.00 0.00 H new ATOM 0 HH TYR B 37 12.744 -11.904 3.544 1.00 0.00 H new ATOM 1563 N CYS B 38 17.249 -8.955 -0.313 1.00 0.00 N ATOM 1564 CA CYS B 38 16.353 -9.141 -1.475 1.00 0.00 C ATOM 1565 C CYS B 38 17.095 -9.898 -2.577 1.00 0.00 C ATOM 1566 O CYS B 38 16.619 -10.888 -3.091 1.00 0.00 O ATOM 1567 CB CYS B 38 16.018 -7.713 -1.892 1.00 0.00 C ATOM 1568 SG CYS B 38 14.664 -7.706 -3.081 1.00 0.00 S ATOM 0 H CYS B 38 17.303 -7.998 0.035 1.00 0.00 H new ATOM 0 HA CYS B 38 15.457 -9.724 -1.261 1.00 0.00 H new ATOM 0 HB2 CYS B 38 15.743 -7.126 -1.015 1.00 0.00 H new ATOM 0 HB3 CYS B 38 16.897 -7.240 -2.330 1.00 0.00 H new ATOM 0 HG CYS B 38 14.190 -8.910 -3.206 1.00 0.00 H new ATOM 1574 N GLU B 39 18.273 -9.466 -2.918 1.00 0.00 N ATOM 1575 CA GLU B 39 19.050 -10.194 -3.950 1.00 0.00 C ATOM 1576 C GLU B 39 19.581 -11.477 -3.325 1.00 0.00 C ATOM 1577 O GLU B 39 20.054 -12.364 -4.010 1.00 0.00 O ATOM 1578 CB GLU B 39 20.197 -9.260 -4.315 1.00 0.00 C ATOM 1579 CG GLU B 39 20.919 -8.852 -3.032 1.00 0.00 C ATOM 1580 CD GLU B 39 22.377 -9.315 -3.093 1.00 0.00 C ATOM 1581 OE1 GLU B 39 23.195 -8.563 -3.595 1.00 0.00 O ATOM 1582 OE2 GLU B 39 22.649 -10.412 -2.634 1.00 0.00 O ATOM 0 H GLU B 39 18.730 -8.642 -2.527 1.00 0.00 H new ATOM 0 HA GLU B 39 18.464 -10.459 -4.830 1.00 0.00 H new ATOM 0 HB2 GLU B 39 20.888 -9.757 -4.996 1.00 0.00 H new ATOM 0 HB3 GLU B 39 19.818 -8.379 -4.832 1.00 0.00 H new ATOM 0 HG2 GLU B 39 20.876 -7.770 -2.907 1.00 0.00 H new ATOM 0 HG3 GLU B 39 20.423 -9.293 -2.168 1.00 0.00 H new ATOM 1589 N LYS B 40 19.453 -11.614 -2.028 1.00 0.00 N ATOM 1590 CA LYS B 40 19.894 -12.870 -1.390 1.00 0.00 C ATOM 1591 C LYS B 40 18.712 -13.798 -1.488 1.00 0.00 C ATOM 1592 O LYS B 40 18.822 -14.998 -1.631 1.00 0.00 O ATOM 1593 CB LYS B 40 20.182 -12.552 0.076 1.00 0.00 C ATOM 1594 CG LYS B 40 20.488 -13.852 0.819 1.00 0.00 C ATOM 1595 CD LYS B 40 21.110 -13.515 2.171 1.00 0.00 C ATOM 1596 CE LYS B 40 20.343 -14.235 3.282 1.00 0.00 C ATOM 1597 NZ LYS B 40 21.123 -13.970 4.523 1.00 0.00 N ATOM 0 H LYS B 40 19.065 -10.912 -1.398 1.00 0.00 H new ATOM 0 HA LYS B 40 20.781 -13.309 -1.848 1.00 0.00 H new ATOM 0 HB2 LYS B 40 21.026 -11.867 0.153 1.00 0.00 H new ATOM 0 HB3 LYS B 40 19.325 -12.053 0.528 1.00 0.00 H new ATOM 0 HG2 LYS B 40 19.575 -14.430 0.958 1.00 0.00 H new ATOM 0 HG3 LYS B 40 21.170 -14.469 0.234 1.00 0.00 H new ATOM 0 HD2 LYS B 40 22.158 -13.815 2.185 1.00 0.00 H new ATOM 0 HD3 LYS B 40 21.084 -12.438 2.336 1.00 0.00 H new ATOM 0 HE2 LYS B 40 19.324 -13.856 3.368 1.00 0.00 H new ATOM 0 HE3 LYS B 40 20.270 -15.304 3.082 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 20.659 -14.433 5.330 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 22.086 -14.347 4.415 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 21.170 -12.945 4.691 1.00 0.00 H new ATOM 1611 N LYS B 41 17.564 -13.192 -1.427 1.00 0.00 N ATOM 1612 CA LYS B 41 16.304 -13.931 -1.528 1.00 0.00 C ATOM 1613 C LYS B 41 16.179 -14.437 -2.936 1.00 0.00 C ATOM 1614 O LYS B 41 16.088 -15.616 -3.213 1.00 0.00 O ATOM 1615 CB LYS B 41 15.237 -12.877 -1.337 1.00 0.00 C ATOM 1616 CG LYS B 41 15.385 -12.110 -0.041 1.00 0.00 C ATOM 1617 CD LYS B 41 16.167 -12.921 0.979 1.00 0.00 C ATOM 1618 CE LYS B 41 15.224 -13.918 1.639 1.00 0.00 C ATOM 1619 NZ LYS B 41 16.110 -14.888 2.340 1.00 0.00 N ATOM 0 H LYS B 41 17.455 -12.185 -1.308 1.00 0.00 H new ATOM 0 HA LYS B 41 16.236 -14.756 -0.819 1.00 0.00 H new ATOM 0 HB2 LYS B 41 15.272 -12.177 -2.172 1.00 0.00 H new ATOM 0 HB3 LYS B 41 14.257 -13.353 -1.361 1.00 0.00 H new ATOM 0 HG2 LYS B 41 15.894 -11.165 -0.229 1.00 0.00 H new ATOM 0 HG3 LYS B 41 14.400 -11.868 0.358 1.00 0.00 H new ATOM 0 HD2 LYS B 41 16.991 -13.445 0.494 1.00 0.00 H new ATOM 0 HD3 LYS B 41 16.606 -12.263 1.729 1.00 0.00 H new ATOM 0 HE2 LYS B 41 14.553 -13.421 2.339 1.00 0.00 H new ATOM 0 HE3 LYS B 41 14.599 -14.419 0.899 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 15.529 -15.606 2.818 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 16.733 -15.352 1.648 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 16.688 -14.385 3.044 1.00 0.00 H new ATOM 1633 N GLY B 42 16.207 -13.497 -3.828 1.00 0.00 N ATOM 1634 CA GLY B 42 16.126 -13.819 -5.255 1.00 0.00 C ATOM 1635 C GLY B 42 15.232 -12.849 -6.025 1.00 0.00 C ATOM 1636 O GLY B 42 14.328 -13.238 -6.730 1.00 0.00 O ATOM 0 H GLY B 42 16.284 -12.502 -3.616 1.00 0.00 H new ATOM 0 HA2 GLY B 42 17.128 -13.804 -5.685 1.00 0.00 H new ATOM 0 HA3 GLY B 42 15.743 -14.833 -5.374 1.00 0.00 H new ATOM 1640 N TRP B 43 15.533 -11.589 -5.946 1.00 0.00 N ATOM 1641 CA TRP B 43 14.775 -10.586 -6.745 1.00 0.00 C ATOM 1642 C TRP B 43 15.826 -9.879 -7.497 1.00 0.00 C ATOM 1643 O TRP B 43 15.810 -9.708 -8.699 1.00 0.00 O ATOM 1644 CB TRP B 43 14.128 -9.517 -5.874 1.00 0.00 C ATOM 1645 CG TRP B 43 13.600 -10.025 -4.590 1.00 0.00 C ATOM 1646 CD1 TRP B 43 14.126 -11.028 -3.887 1.00 0.00 C ATOM 1647 CD2 TRP B 43 12.487 -9.522 -3.790 1.00 0.00 C ATOM 1648 NE1 TRP B 43 13.419 -11.193 -2.763 1.00 0.00 N ATOM 1649 CE2 TRP B 43 12.418 -10.298 -2.626 1.00 0.00 C ATOM 1650 CE3 TRP B 43 11.546 -8.493 -3.947 1.00 0.00 C ATOM 1651 CZ2 TRP B 43 11.483 -10.088 -1.640 1.00 0.00 C ATOM 1652 CZ3 TRP B 43 10.586 -8.263 -2.952 1.00 0.00 C ATOM 1653 CH2 TRP B 43 10.556 -9.056 -1.791 1.00 0.00 C ATOM 0 H TRP B 43 16.275 -11.205 -5.360 1.00 0.00 H new ATOM 0 HA TRP B 43 13.998 -11.081 -7.327 1.00 0.00 H new ATOM 0 HB2 TRP B 43 14.861 -8.737 -5.670 1.00 0.00 H new ATOM 0 HB3 TRP B 43 13.314 -9.052 -6.431 1.00 0.00 H new ATOM 0 HD1 TRP B 43 14.985 -11.614 -4.178 1.00 0.00 H new ATOM 0 HE1 TRP B 43 13.617 -11.922 -2.078 1.00 0.00 H new ATOM 0 HE3 TRP B 43 11.561 -7.878 -4.835 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 11.466 -10.714 -0.760 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 9.863 -7.470 -3.078 1.00 0.00 H new ATOM 0 HH2 TRP B 43 9.821 -8.868 -1.022 1.00 0.00 H new ATOM 1664 N ILE B 44 16.787 -9.526 -6.713 1.00 0.00 N ATOM 1665 CA ILE B 44 18.001 -8.856 -7.175 1.00 0.00 C ATOM 1666 C ILE B 44 17.790 -7.363 -7.310 1.00 0.00 C ATOM 1667 O ILE B 44 18.571 -6.661 -7.920 1.00 0.00 O ATOM 1668 CB ILE B 44 18.342 -9.446 -8.522 1.00 0.00 C ATOM 1669 CG1 ILE B 44 18.135 -10.957 -8.510 1.00 0.00 C ATOM 1670 CG2 ILE B 44 19.808 -9.134 -8.810 1.00 0.00 C ATOM 1671 CD1 ILE B 44 17.572 -11.388 -9.862 1.00 0.00 C ATOM 0 H ILE B 44 16.771 -9.689 -5.706 1.00 0.00 H new ATOM 0 HA ILE B 44 18.806 -9.004 -6.455 1.00 0.00 H new ATOM 0 HB ILE B 44 17.696 -9.019 -9.289 1.00 0.00 H new ATOM 0 HG12 ILE B 44 19.079 -11.466 -8.315 1.00 0.00 H new ATOM 0 HG13 ILE B 44 17.451 -11.238 -7.709 1.00 0.00 H new ATOM 0 HG21 ILE B 44 20.085 -9.549 -9.779 1.00 0.00 H new ATOM 0 HG22 ILE B 44 19.955 -8.054 -8.822 1.00 0.00 H new ATOM 0 HG23 ILE B 44 20.433 -9.576 -8.034 1.00 0.00 H new ATOM 0 HD11 ILE B 44 17.420 -12.467 -9.865 1.00 0.00 H new ATOM 0 HD12 ILE B 44 16.620 -10.887 -10.036 1.00 0.00 H new ATOM 0 HD13 ILE B 44 18.274 -11.118 -10.651 1.00 0.00 H new ATOM 1683 N VAL B 45 16.725 -6.906 -6.757 1.00 0.00 N ATOM 1684 CA VAL B 45 16.368 -5.463 -6.822 1.00 0.00 C ATOM 1685 C VAL B 45 17.618 -4.577 -6.946 1.00 0.00 C ATOM 1686 O VAL B 45 18.360 -4.396 -6.002 1.00 0.00 O ATOM 1687 CB VAL B 45 15.651 -5.207 -5.505 1.00 0.00 C ATOM 1688 CG1 VAL B 45 14.280 -5.890 -5.517 1.00 0.00 C ATOM 1689 CG2 VAL B 45 16.493 -5.755 -4.348 1.00 0.00 C ATOM 0 H VAL B 45 16.058 -7.482 -6.243 1.00 0.00 H new ATOM 0 HA VAL B 45 15.757 -5.226 -7.693 1.00 0.00 H new ATOM 0 HB VAL B 45 15.512 -4.134 -5.374 1.00 0.00 H new ATOM 0 HG11 VAL B 45 13.772 -5.703 -4.571 1.00 0.00 H new ATOM 0 HG12 VAL B 45 13.682 -5.490 -6.336 1.00 0.00 H new ATOM 0 HG13 VAL B 45 14.410 -6.964 -5.653 1.00 0.00 H new ATOM 0 HG21 VAL B 45 15.979 -5.571 -3.405 1.00 0.00 H new ATOM 0 HG22 VAL B 45 16.638 -6.827 -4.479 1.00 0.00 H new ATOM 0 HG23 VAL B 45 17.462 -5.257 -4.336 1.00 0.00 H new