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 65:sc= 0.155 USER MOD Set 1.2: B 31 SER OG : rot -153:sc= 0.155 USER MOD Set 2.1: A 21 CYS SG : rot -37:sc= -5.12! USER MOD Set 2.2: B 21 CYS SG : rot -35:sc= -6.34! USER MOD Single : A 15 THR OG1 : rot -33:sc= 0.589 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -11! C(o=-11!,f=-30!) USER MOD Single : A 27 GLN : amide:sc= -0.323 K(o=-0.32,f=-1.7!) USER MOD Single : A 32 GLN : amide:sc= -1.4 K(o=-1.4,f=-0.51) USER MOD Single : A 37 TYR OH : rot -107:sc= -1.88! USER MOD Single : A 38 CYS SG : rot 5:sc= -15.9! 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= -2.46! C(o=-2.5!,f=-6.6!) USER MOD Single : B 15 THR OG1 : rot -34:sc= 0.627 USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 23 ASN : amide:sc= -11! C(o=-11!,f=-30!) USER MOD Single : B 27 GLN : amide:sc= -0.29 K(o=-0.29,f=-1.9!) USER MOD Single : B 32 GLN : amide:sc= -1.69! K(o=-1.7!,f=-0.71) USER MOD Single : B 37 TYR OH : rot -112:sc= -2.73! USER MOD Single : B 38 CYS SG : rot 7:sc= -15.3! 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 -3.489 1.682 1.520 1.00 0.00 N ATOM 246 CA THR A 15 -2.643 1.088 2.595 1.00 0.00 C ATOM 247 C THR A 15 -2.652 -0.443 2.482 1.00 0.00 C ATOM 248 O THR A 15 -3.637 -1.083 2.788 1.00 0.00 O ATOM 249 CB THR A 15 -3.282 1.538 3.910 1.00 0.00 C ATOM 250 OG1 THR A 15 -4.693 1.399 3.827 1.00 0.00 O ATOM 251 CG2 THR A 15 -2.920 3.001 4.172 1.00 0.00 C ATOM 0 HA THR A 15 -1.603 1.408 2.527 1.00 0.00 H new ATOM 0 HB THR A 15 -2.911 0.920 4.728 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.984 1.563 2.906 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.373 3.326 5.108 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.837 3.101 4.239 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.292 3.620 3.355 1.00 0.00 H new ATOM 259 N SER A 16 -1.570 -1.034 2.034 1.00 0.00 N ATOM 260 CA SER A 16 -1.534 -2.525 1.901 1.00 0.00 C ATOM 261 C SER A 16 -1.745 -3.176 3.306 1.00 0.00 C ATOM 262 O SER A 16 -2.766 -2.887 3.896 1.00 0.00 O ATOM 263 CB SER A 16 -0.200 -2.820 1.214 1.00 0.00 C ATOM 264 OG SER A 16 -0.172 -2.157 -0.043 1.00 0.00 O ATOM 0 H SER A 16 -0.715 -0.552 1.756 1.00 0.00 H new ATOM 0 HA SER A 16 -2.332 -2.957 1.298 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.628 -2.481 1.837 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.077 -3.894 1.076 1.00 0.00 H new ATOM 0 HG SER A 16 0.681 -2.339 -0.490 1.00 0.00 H new ATOM 270 N PRO A 17 -0.872 -4.032 3.870 1.00 0.00 N ATOM 271 CA PRO A 17 0.420 -4.533 3.363 1.00 0.00 C ATOM 272 C PRO A 17 0.311 -6.019 3.033 1.00 0.00 C ATOM 273 O PRO A 17 1.220 -6.770 3.327 1.00 0.00 O ATOM 274 CB PRO A 17 1.278 -4.447 4.621 1.00 0.00 C ATOM 275 CG PRO A 17 0.311 -4.538 5.763 1.00 0.00 C ATOM 276 CD PRO A 17 -1.053 -4.642 5.159 1.00 0.00 C ATOM 0 HA PRO A 17 0.776 -3.998 2.482 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.007 -5.257 4.657 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.838 -3.512 4.653 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.527 -5.407 6.385 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.385 -3.660 6.405 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.381 -5.678 5.075 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -1.801 -4.118 5.754 1.00 0.00 H new ATOM 284 N PRO A 18 -0.798 -6.429 2.497 1.00 0.00 N ATOM 285 CA PRO A 18 -0.978 -7.861 2.226 1.00 0.00 C ATOM 286 C PRO A 18 0.129 -8.410 1.308 1.00 0.00 C ATOM 287 O PRO A 18 0.597 -9.506 1.538 1.00 0.00 O ATOM 288 CB PRO A 18 -2.405 -7.944 1.688 1.00 0.00 C ATOM 289 CG PRO A 18 -2.702 -6.581 1.168 1.00 0.00 C ATOM 290 CD PRO A 18 -1.958 -5.638 2.073 1.00 0.00 C ATOM 0 HA PRO A 18 -0.872 -8.505 3.099 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.487 -8.693 0.900 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.106 -8.228 2.472 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -2.374 -6.475 0.134 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.773 -6.379 1.185 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.657 -4.730 1.550 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -2.568 -5.329 2.922 1.00 0.00 H new ATOM 298 N PRO A 19 0.595 -7.633 0.352 1.00 0.00 N ATOM 299 CA PRO A 19 1.731 -8.106 -0.471 1.00 0.00 C ATOM 300 C PRO A 19 2.982 -8.055 0.413 1.00 0.00 C ATOM 301 O PRO A 19 3.797 -7.165 0.297 1.00 0.00 O ATOM 302 CB PRO A 19 1.818 -7.089 -1.605 1.00 0.00 C ATOM 303 CG PRO A 19 1.196 -5.853 -1.047 1.00 0.00 C ATOM 304 CD PRO A 19 0.143 -6.298 -0.065 1.00 0.00 C ATOM 0 HA PRO A 19 1.626 -9.119 -0.858 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.852 -6.914 -1.902 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.286 -7.436 -2.491 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.945 -5.232 -0.555 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.754 -5.251 -1.841 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.073 -5.616 0.783 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.844 -6.336 -0.526 1.00 0.00 H new ATOM 312 N GLU A 20 3.084 -8.979 1.333 1.00 0.00 N ATOM 313 CA GLU A 20 4.230 -9.006 2.304 1.00 0.00 C ATOM 314 C GLU A 20 5.605 -9.016 1.627 1.00 0.00 C ATOM 315 O GLU A 20 6.429 -9.851 1.927 1.00 0.00 O ATOM 316 CB GLU A 20 4.046 -10.304 3.100 1.00 0.00 C ATOM 317 CG GLU A 20 3.595 -11.435 2.171 1.00 0.00 C ATOM 318 CD GLU A 20 4.312 -12.731 2.557 1.00 0.00 C ATOM 319 OE1 GLU A 20 5.068 -12.703 3.512 1.00 0.00 O ATOM 320 OE2 GLU A 20 4.090 -13.729 1.890 1.00 0.00 O ATOM 0 H GLU A 20 2.409 -9.734 1.458 1.00 0.00 H new ATOM 0 HA GLU A 20 4.215 -8.105 2.918 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.982 -10.576 3.588 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.308 -10.154 3.888 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.516 -11.569 2.242 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.817 -11.179 1.135 1.00 0.00 H new ATOM 327 N CYS A 21 5.895 -8.088 0.760 1.00 0.00 N ATOM 328 CA CYS A 21 7.266 -8.088 0.154 1.00 0.00 C ATOM 329 C CYS A 21 8.249 -7.429 1.126 1.00 0.00 C ATOM 330 O CYS A 21 9.410 -7.781 1.172 1.00 0.00 O ATOM 331 CB CYS A 21 7.254 -7.357 -1.210 1.00 0.00 C ATOM 332 SG CYS A 21 5.732 -6.413 -1.496 1.00 0.00 S ATOM 0 H CYS A 21 5.267 -7.347 0.448 1.00 0.00 H new ATOM 0 HA CYS A 21 7.585 -9.115 -0.025 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.108 -6.682 -1.262 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.377 -8.088 -2.009 1.00 0.00 H new ATOM 0 HG CYS A 21 4.720 -7.061 -1.000 1.00 0.00 H new ATOM 338 N ILE A 22 7.793 -6.490 1.922 1.00 0.00 N ATOM 339 CA ILE A 22 8.713 -5.838 2.907 1.00 0.00 C ATOM 340 C ILE A 22 8.891 -6.742 4.109 1.00 0.00 C ATOM 341 O ILE A 22 9.984 -7.090 4.489 1.00 0.00 O ATOM 342 CB ILE A 22 8.026 -4.558 3.379 1.00 0.00 C ATOM 343 CG1 ILE A 22 7.697 -3.602 2.223 1.00 0.00 C ATOM 344 CG2 ILE A 22 8.948 -3.847 4.362 1.00 0.00 C ATOM 345 CD1 ILE A 22 8.347 -4.056 0.907 1.00 0.00 C ATOM 0 H ILE A 22 6.832 -6.150 1.932 1.00 0.00 H new ATOM 0 HA ILE A 22 9.683 -5.639 2.451 1.00 0.00 H new ATOM 0 HB ILE A 22 7.083 -4.840 3.847 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.616 -3.545 2.094 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.042 -2.598 2.472 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.472 -2.930 4.709 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.144 -4.499 5.213 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.888 -3.603 3.868 1.00 0.00 H new ATOM 0 HD11 ILE A 22 8.091 -3.354 0.113 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.430 -4.088 1.028 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.982 -5.049 0.645 1.00 0.00 H new ATOM 357 N ASN A 23 7.821 -7.118 4.731 1.00 0.00 N ATOM 358 CA ASN A 23 7.969 -7.999 5.912 1.00 0.00 C ATOM 359 C ASN A 23 8.611 -9.315 5.476 1.00 0.00 C ATOM 360 O ASN A 23 9.631 -9.700 5.995 1.00 0.00 O ATOM 361 CB ASN A 23 6.565 -8.214 6.479 1.00 0.00 C ATOM 362 CG ASN A 23 5.719 -9.034 5.517 1.00 0.00 C ATOM 363 OD1 ASN A 23 5.752 -8.810 4.326 1.00 0.00 O ATOM 364 ND2 ASN A 23 4.960 -9.986 5.988 1.00 0.00 N ATOM 0 H ASN A 23 6.866 -6.861 4.481 1.00 0.00 H new ATOM 0 HA ASN A 23 8.611 -7.562 6.677 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.629 -8.724 7.440 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.089 -7.251 6.660 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.391 -10.546 5.353 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.936 -10.170 6.991 1.00 0.00 H new ATOM 371 N ASP A 24 8.077 -9.980 4.485 1.00 0.00 N ATOM 372 CA ASP A 24 8.722 -11.240 4.039 1.00 0.00 C ATOM 373 C ASP A 24 10.167 -10.927 3.723 1.00 0.00 C ATOM 374 O ASP A 24 11.032 -11.781 3.752 1.00 0.00 O ATOM 375 CB ASP A 24 7.973 -11.667 2.782 1.00 0.00 C ATOM 376 CG ASP A 24 8.396 -13.083 2.386 1.00 0.00 C ATOM 377 OD1 ASP A 24 9.196 -13.663 3.103 1.00 0.00 O ATOM 378 OD2 ASP A 24 7.915 -13.562 1.374 1.00 0.00 O ATOM 0 H ASP A 24 7.236 -9.708 3.975 1.00 0.00 H new ATOM 0 HA ASP A 24 8.692 -12.032 4.787 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.898 -11.634 2.959 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.184 -10.973 1.968 1.00 0.00 H new ATOM 383 N LEU A 25 10.430 -9.686 3.441 1.00 0.00 N ATOM 384 CA LEU A 25 11.805 -9.267 3.142 1.00 0.00 C ATOM 385 C LEU A 25 12.537 -9.034 4.434 1.00 0.00 C ATOM 386 O LEU A 25 13.545 -9.636 4.747 1.00 0.00 O ATOM 387 CB LEU A 25 11.663 -7.924 2.414 1.00 0.00 C ATOM 388 CG LEU A 25 12.852 -6.978 2.739 1.00 0.00 C ATOM 389 CD1 LEU A 25 13.822 -6.917 1.572 1.00 0.00 C ATOM 390 CD2 LEU A 25 12.326 -5.578 3.044 1.00 0.00 C ATOM 0 H LEU A 25 9.735 -8.940 3.407 1.00 0.00 H new ATOM 0 HA LEU A 25 12.345 -10.010 2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.614 -8.094 1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.727 -7.448 2.704 1.00 0.00 H new ATOM 0 HG LEU A 25 13.379 -7.368 3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.647 -6.249 1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.211 -7.915 1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 25 13.305 -6.543 0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.162 -4.917 3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.786 -5.195 2.178 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.654 -5.621 3.901 1.00 0.00 H new ATOM 402 N LEU A 26 12.044 -8.068 5.131 1.00 0.00 N ATOM 403 CA LEU A 26 12.671 -7.629 6.358 1.00 0.00 C ATOM 404 C LEU A 26 12.490 -8.649 7.474 1.00 0.00 C ATOM 405 O LEU A 26 12.997 -8.482 8.565 1.00 0.00 O ATOM 406 CB LEU A 26 11.960 -6.321 6.648 1.00 0.00 C ATOM 407 CG LEU A 26 12.248 -5.913 8.060 1.00 0.00 C ATOM 408 CD1 LEU A 26 13.736 -5.647 8.178 1.00 0.00 C ATOM 409 CD2 LEU A 26 11.468 -4.642 8.397 1.00 0.00 C ATOM 0 H LEU A 26 11.200 -7.554 4.879 1.00 0.00 H new ATOM 0 HA LEU A 26 13.752 -7.511 6.278 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.296 -5.548 5.957 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.886 -6.435 6.501 1.00 0.00 H new ATOM 0 HG LEU A 26 11.949 -6.701 8.751 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.972 -5.348 9.199 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.288 -6.553 7.929 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.019 -4.849 7.491 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.679 -4.347 9.425 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.768 -3.841 7.721 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.400 -4.830 8.286 1.00 0.00 H new ATOM 421 N GLN A 27 11.820 -9.729 7.207 1.00 0.00 N ATOM 422 CA GLN A 27 11.673 -10.752 8.246 1.00 0.00 C ATOM 423 C GLN A 27 13.051 -11.369 8.475 1.00 0.00 C ATOM 424 O GLN A 27 13.248 -12.164 9.372 1.00 0.00 O ATOM 425 CB GLN A 27 10.719 -11.780 7.647 1.00 0.00 C ATOM 426 CG GLN A 27 9.284 -11.277 7.778 1.00 0.00 C ATOM 427 CD GLN A 27 8.566 -11.987 8.917 1.00 0.00 C ATOM 428 OE1 GLN A 27 8.839 -13.133 9.214 1.00 0.00 O ATOM 429 NE2 GLN A 27 7.647 -11.336 9.568 1.00 0.00 N ATOM 0 H GLN A 27 11.373 -9.939 6.315 1.00 0.00 H new ATOM 0 HA GLN A 27 11.297 -10.373 9.196 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.962 -11.950 6.598 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.829 -12.736 8.159 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.285 -10.202 7.957 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.748 -11.444 6.844 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.425 -10.374 9.311 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.149 -11.787 10.335 1.00 0.00 H new ATOM 438 N ALA A 28 14.009 -11.022 7.637 1.00 0.00 N ATOM 439 CA ALA A 28 15.360 -11.609 7.783 1.00 0.00 C ATOM 440 C ALA A 28 16.481 -10.553 7.833 1.00 0.00 C ATOM 441 O ALA A 28 17.589 -10.879 8.209 1.00 0.00 O ATOM 442 CB ALA A 28 15.537 -12.487 6.546 1.00 0.00 C ATOM 0 H ALA A 28 13.901 -10.361 6.868 1.00 0.00 H new ATOM 0 HA ALA A 28 15.434 -12.154 8.724 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.517 -12.962 6.574 1.00 0.00 H new ATOM 0 HB2 ALA A 28 14.762 -13.254 6.530 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.458 -11.872 5.649 1.00 0.00 H new ATOM 448 N VAL A 29 16.263 -9.304 7.464 1.00 0.00 N ATOM 449 CA VAL A 29 17.418 -8.364 7.537 1.00 0.00 C ATOM 450 C VAL A 29 17.300 -7.482 8.763 1.00 0.00 C ATOM 451 O VAL A 29 18.050 -6.543 8.929 1.00 0.00 O ATOM 452 CB VAL A 29 17.425 -7.566 6.216 1.00 0.00 C ATOM 453 CG1 VAL A 29 15.999 -7.334 5.722 1.00 0.00 C ATOM 454 CG2 VAL A 29 18.115 -6.212 6.418 1.00 0.00 C ATOM 0 H VAL A 29 15.379 -8.917 7.133 1.00 0.00 H new ATOM 0 HA VAL A 29 18.367 -8.889 7.644 1.00 0.00 H new ATOM 0 HB VAL A 29 17.972 -8.146 5.472 1.00 0.00 H new ATOM 0 HG11 VAL A 29 16.024 -6.770 4.790 1.00 0.00 H new ATOM 0 HG12 VAL A 29 15.512 -8.294 5.552 1.00 0.00 H new ATOM 0 HG13 VAL A 29 15.441 -6.772 6.471 1.00 0.00 H new ATOM 0 HG21 VAL A 29 18.113 -5.659 5.479 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.580 -5.641 7.177 1.00 0.00 H new ATOM 0 HG23 VAL A 29 19.143 -6.372 6.743 1.00 0.00 H new ATOM 464 N ASP A 30 16.403 -7.804 9.650 1.00 0.00 N ATOM 465 CA ASP A 30 16.290 -6.997 10.888 1.00 0.00 C ATOM 466 C ASP A 30 16.347 -5.533 10.532 1.00 0.00 C ATOM 467 O ASP A 30 17.414 -4.961 10.422 1.00 0.00 O ATOM 468 CB ASP A 30 17.534 -7.375 11.669 1.00 0.00 C ATOM 469 CG ASP A 30 17.236 -8.564 12.586 1.00 0.00 C ATOM 470 OD1 ASP A 30 16.084 -8.962 12.651 1.00 0.00 O ATOM 471 OD2 ASP A 30 18.164 -9.058 13.205 1.00 0.00 O ATOM 0 H ASP A 30 15.750 -8.584 9.571 1.00 0.00 H new ATOM 0 HA ASP A 30 15.366 -7.172 11.439 1.00 0.00 H new ATOM 0 HB2 ASP A 30 18.341 -7.629 10.982 1.00 0.00 H new ATOM 0 HB3 ASP A 30 17.874 -6.525 12.261 1.00 0.00 H new ATOM 476 N SER A 31 15.246 -4.907 10.300 1.00 0.00 N ATOM 477 CA SER A 31 15.359 -3.508 9.895 1.00 0.00 C ATOM 478 C SER A 31 14.003 -2.821 9.987 1.00 0.00 C ATOM 479 O SER A 31 13.426 -2.406 9.004 1.00 0.00 O ATOM 480 CB SER A 31 15.873 -3.673 8.464 1.00 0.00 C ATOM 481 OG SER A 31 16.872 -2.709 8.207 1.00 0.00 O ATOM 0 H SER A 31 14.303 -5.290 10.371 1.00 0.00 H new ATOM 0 HA SER A 31 16.006 -2.879 10.507 1.00 0.00 H new ATOM 0 HB2 SER A 31 16.276 -4.676 8.325 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.052 -3.559 7.756 1.00 0.00 H new ATOM 0 HG SER A 31 17.645 -2.877 8.786 1.00 0.00 H new ATOM 487 N GLN A 32 13.504 -2.694 11.186 1.00 0.00 N ATOM 488 CA GLN A 32 12.191 -2.034 11.383 1.00 0.00 C ATOM 489 C GLN A 32 12.158 -0.731 10.597 1.00 0.00 C ATOM 490 O GLN A 32 11.115 -0.249 10.235 1.00 0.00 O ATOM 491 CB GLN A 32 12.118 -1.761 12.884 1.00 0.00 C ATOM 492 CG GLN A 32 10.701 -2.034 13.388 1.00 0.00 C ATOM 493 CD GLN A 32 10.135 -0.770 14.021 1.00 0.00 C ATOM 494 OE1 GLN A 32 10.488 -0.416 15.128 1.00 0.00 O ATOM 495 NE2 GLN A 32 9.266 -0.068 13.357 1.00 0.00 N ATOM 0 H GLN A 32 13.955 -3.022 12.040 1.00 0.00 H new ATOM 0 HA GLN A 32 11.352 -2.640 11.040 1.00 0.00 H new ATOM 0 HB2 GLN A 32 12.831 -2.393 13.414 1.00 0.00 H new ATOM 0 HB3 GLN A 32 12.395 -0.727 13.089 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.066 -2.356 12.563 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.713 -2.845 14.117 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.971 -0.368 12.428 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.879 0.783 13.765 1.00 0.00 H new ATOM 504 N GLU A 33 13.290 -0.163 10.308 1.00 0.00 N ATOM 505 CA GLU A 33 13.284 1.094 9.519 1.00 0.00 C ATOM 506 C GLU A 33 12.668 0.814 8.152 1.00 0.00 C ATOM 507 O GLU A 33 12.097 1.681 7.525 1.00 0.00 O ATOM 508 CB GLU A 33 14.747 1.496 9.381 1.00 0.00 C ATOM 509 CG GLU A 33 15.399 1.549 10.765 1.00 0.00 C ATOM 510 CD GLU A 33 15.527 3.006 11.213 1.00 0.00 C ATOM 511 OE1 GLU A 33 14.886 3.850 10.610 1.00 0.00 O ATOM 512 OE2 GLU A 33 16.268 3.252 12.152 1.00 0.00 O ATOM 0 H GLU A 33 14.210 -0.509 10.580 1.00 0.00 H new ATOM 0 HA GLU A 33 12.704 1.888 9.990 1.00 0.00 H new ATOM 0 HB2 GLU A 33 15.273 0.781 8.748 1.00 0.00 H new ATOM 0 HB3 GLU A 33 14.823 2.469 8.895 1.00 0.00 H new ATOM 0 HG2 GLU A 33 14.800 0.988 11.483 1.00 0.00 H new ATOM 0 HG3 GLU A 33 16.382 1.079 10.734 1.00 0.00 H new ATOM 519 N VAL A 34 12.766 -0.407 7.697 1.00 0.00 N ATOM 520 CA VAL A 34 12.166 -0.762 6.382 1.00 0.00 C ATOM 521 C VAL A 34 10.666 -0.995 6.582 1.00 0.00 C ATOM 522 O VAL A 34 9.849 -0.545 5.804 1.00 0.00 O ATOM 523 CB VAL A 34 12.919 -2.034 5.928 1.00 0.00 C ATOM 524 CG1 VAL A 34 11.941 -3.139 5.526 1.00 0.00 C ATOM 525 CG2 VAL A 34 13.792 -1.696 4.720 1.00 0.00 C ATOM 0 H VAL A 34 13.236 -1.172 8.181 1.00 0.00 H new ATOM 0 HA VAL A 34 12.260 0.014 5.622 1.00 0.00 H new ATOM 0 HB VAL A 34 13.528 -2.386 6.761 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.498 -4.021 5.211 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.309 -3.393 6.377 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.317 -2.791 4.703 1.00 0.00 H new ATOM 0 HG21 VAL A 34 14.326 -2.589 4.395 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.163 -1.333 3.907 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.511 -0.924 4.995 1.00 0.00 H new ATOM 535 N ARG A 35 10.297 -1.661 7.639 1.00 0.00 N ATOM 536 CA ARG A 35 8.854 -1.878 7.910 1.00 0.00 C ATOM 537 C ARG A 35 8.275 -0.578 8.449 1.00 0.00 C ATOM 538 O ARG A 35 7.238 -0.113 8.021 1.00 0.00 O ATOM 539 CB ARG A 35 8.831 -2.941 8.983 1.00 0.00 C ATOM 540 CG ARG A 35 8.112 -4.187 8.480 1.00 0.00 C ATOM 541 CD ARG A 35 7.263 -4.737 9.618 1.00 0.00 C ATOM 542 NE ARG A 35 6.484 -5.855 9.023 1.00 0.00 N ATOM 543 CZ ARG A 35 6.815 -7.088 9.293 1.00 0.00 C ATOM 544 NH1 ARG A 35 8.068 -7.399 9.477 1.00 0.00 N ATOM 545 NH2 ARG A 35 5.894 -8.007 9.383 1.00 0.00 N ATOM 0 H ARG A 35 10.934 -2.064 8.326 1.00 0.00 H new ATOM 0 HA ARG A 35 8.280 -2.174 7.032 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.850 -3.194 9.275 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.330 -2.558 9.872 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.486 -3.944 7.621 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.833 -4.934 8.148 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.887 -5.087 10.440 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.603 -3.970 10.023 1.00 0.00 H new ATOM 0 HE ARG A 35 5.695 -5.659 8.407 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.787 -6.679 9.410 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.329 -8.362 9.688 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.914 -7.762 9.242 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.154 -8.970 9.594 1.00 0.00 H new ATOM 559 N ASP A 36 8.980 0.037 9.363 1.00 0.00 N ATOM 560 CA ASP A 36 8.519 1.336 9.903 1.00 0.00 C ATOM 561 C ASP A 36 8.360 2.259 8.712 1.00 0.00 C ATOM 562 O ASP A 36 7.554 3.168 8.690 1.00 0.00 O ATOM 563 CB ASP A 36 9.646 1.820 10.819 1.00 0.00 C ATOM 564 CG ASP A 36 9.129 2.940 11.724 1.00 0.00 C ATOM 565 OD1 ASP A 36 8.272 3.687 11.280 1.00 0.00 O ATOM 566 OD2 ASP A 36 9.600 3.032 12.846 1.00 0.00 O ATOM 0 H ASP A 36 9.855 -0.310 9.755 1.00 0.00 H new ATOM 0 HA ASP A 36 7.580 1.288 10.454 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.017 0.993 11.424 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.484 2.179 10.222 1.00 0.00 H new ATOM 571 N TYR A 37 9.120 1.970 7.700 1.00 0.00 N ATOM 572 CA TYR A 37 9.060 2.728 6.448 1.00 0.00 C ATOM 573 C TYR A 37 7.862 2.210 5.666 1.00 0.00 C ATOM 574 O TYR A 37 7.006 2.950 5.237 1.00 0.00 O ATOM 575 CB TYR A 37 10.377 2.384 5.759 1.00 0.00 C ATOM 576 CG TYR A 37 10.189 2.493 4.277 1.00 0.00 C ATOM 577 CD1 TYR A 37 9.568 1.449 3.594 1.00 0.00 C ATOM 578 CD2 TYR A 37 10.568 3.655 3.602 1.00 0.00 C ATOM 579 CE1 TYR A 37 9.313 1.559 2.238 1.00 0.00 C ATOM 580 CE2 TYR A 37 10.330 3.766 2.231 1.00 0.00 C ATOM 581 CZ TYR A 37 9.698 2.721 1.548 1.00 0.00 C ATOM 582 OH TYR A 37 9.438 2.848 0.198 1.00 0.00 O ATOM 0 H TYR A 37 9.801 1.211 7.699 1.00 0.00 H new ATOM 0 HA TYR A 37 8.944 3.806 6.558 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.164 3.061 6.090 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.691 1.375 6.027 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.285 0.552 4.124 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.043 4.464 4.138 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.820 0.755 1.712 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.633 4.656 1.699 1.00 0.00 H new ATOM 0 HH TYR A 37 10.274 2.760 -0.306 1.00 0.00 H new ATOM 592 N CYS A 38 7.793 0.923 5.513 1.00 0.00 N ATOM 593 CA CYS A 38 6.661 0.303 4.788 1.00 0.00 C ATOM 594 C CYS A 38 5.347 0.832 5.358 1.00 0.00 C ATOM 595 O CYS A 38 4.501 1.325 4.642 1.00 0.00 O ATOM 596 CB CYS A 38 6.846 -1.183 5.065 1.00 0.00 C ATOM 597 SG CYS A 38 5.781 -2.160 3.990 1.00 0.00 S ATOM 0 H CYS A 38 8.486 0.264 5.867 1.00 0.00 H new ATOM 0 HA CYS A 38 6.635 0.518 3.720 1.00 0.00 H new ATOM 0 HB2 CYS A 38 7.888 -1.462 4.906 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.614 -1.396 6.108 1.00 0.00 H new ATOM 0 HG CYS A 38 5.177 -1.375 3.148 1.00 0.00 H new ATOM 603 N GLU A 39 5.181 0.773 6.647 1.00 0.00 N ATOM 604 CA GLU A 39 3.943 1.317 7.253 1.00 0.00 C ATOM 605 C GLU A 39 4.012 2.837 7.184 1.00 0.00 C ATOM 606 O GLU A 39 3.034 3.522 7.404 1.00 0.00 O ATOM 607 CB GLU A 39 3.967 0.844 8.702 1.00 0.00 C ATOM 608 CG GLU A 39 5.308 1.235 9.321 1.00 0.00 C ATOM 609 CD GLU A 39 5.076 2.195 10.488 1.00 0.00 C ATOM 610 OE1 GLU A 39 4.702 1.726 11.551 1.00 0.00 O ATOM 611 OE2 GLU A 39 5.279 3.383 10.301 1.00 0.00 O ATOM 0 H GLU A 39 5.849 0.372 7.305 1.00 0.00 H new ATOM 0 HA GLU A 39 3.033 0.992 6.749 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.147 1.295 9.261 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.829 -0.236 8.750 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.833 0.345 9.668 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.942 1.706 8.570 1.00 0.00 H new ATOM 618 N LYS A 40 5.152 3.373 6.823 1.00 0.00 N ATOM 619 CA LYS A 40 5.242 4.839 6.682 1.00 0.00 C ATOM 620 C LYS A 40 4.795 5.131 5.274 1.00 0.00 C ATOM 621 O LYS A 40 4.190 6.137 4.965 1.00 0.00 O ATOM 622 CB LYS A 40 6.711 5.223 6.845 1.00 0.00 C ATOM 623 CG LYS A 40 6.869 6.714 6.552 1.00 0.00 C ATOM 624 CD LYS A 40 8.240 7.178 7.035 1.00 0.00 C ATOM 625 CE LYS A 40 8.920 7.999 5.938 1.00 0.00 C ATOM 626 NZ LYS A 40 9.389 9.237 6.621 1.00 0.00 N ATOM 0 H LYS A 40 6.009 2.857 6.624 1.00 0.00 H new ATOM 0 HA LYS A 40 4.641 5.384 7.410 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.049 5.000 7.857 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.331 4.638 6.166 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.765 6.900 5.483 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.083 7.280 7.052 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.134 7.777 7.939 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.856 6.317 7.294 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.753 7.453 5.494 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.225 8.232 5.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.867 9.853 5.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.574 9.739 7.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.054 8.984 7.380 1.00 0.00 H new ATOM 640 N LYS A 41 5.099 4.196 4.424 1.00 0.00 N ATOM 641 CA LYS A 41 4.725 4.297 3.012 1.00 0.00 C ATOM 642 C LYS A 41 3.234 4.163 2.921 1.00 0.00 C ATOM 643 O LYS A 41 2.515 5.020 2.447 1.00 0.00 O ATOM 644 CB LYS A 41 5.321 3.060 2.379 1.00 0.00 C ATOM 645 CG LYS A 41 6.813 2.938 2.595 1.00 0.00 C ATOM 646 CD LYS A 41 7.436 4.293 2.872 1.00 0.00 C ATOM 647 CE LYS A 41 7.659 5.012 1.550 1.00 0.00 C ATOM 648 NZ LYS A 41 7.917 6.431 1.916 1.00 0.00 N ATOM 0 H LYS A 41 5.606 3.345 4.668 1.00 0.00 H new ATOM 0 HA LYS A 41 5.053 5.228 2.550 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.828 2.178 2.788 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.116 3.073 1.309 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.009 2.266 3.431 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.276 2.494 1.714 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.784 4.883 3.517 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.382 4.172 3.400 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.503 4.586 1.007 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.787 4.925 0.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.080 6.988 1.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.094 6.813 2.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.757 6.485 2.526 1.00 0.00 H new ATOM 662 N GLY A 42 2.784 3.056 3.423 1.00 0.00 N ATOM 663 CA GLY A 42 1.346 2.775 3.441 1.00 0.00 C ATOM 664 C GLY A 42 1.029 1.324 3.088 1.00 0.00 C ATOM 665 O GLY A 42 0.243 1.037 2.212 1.00 0.00 O ATOM 0 H GLY A 42 3.370 2.325 3.827 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.948 3.000 4.430 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.841 3.436 2.736 1.00 0.00 H new ATOM 669 N TRP A 43 1.590 0.412 3.819 1.00 0.00 N ATOM 670 CA TRP A 43 1.260 -1.025 3.609 1.00 0.00 C ATOM 671 C TRP A 43 0.836 -1.476 4.944 1.00 0.00 C ATOM 672 O TRP A 43 -0.200 -2.067 5.171 1.00 0.00 O ATOM 673 CB TRP A 43 2.490 -1.860 3.280 1.00 0.00 C ATOM 674 CG TRP A 43 3.470 -1.172 2.412 1.00 0.00 C ATOM 675 CD1 TRP A 43 3.707 0.140 2.412 1.00 0.00 C ATOM 676 CD2 TRP A 43 4.416 -1.746 1.460 1.00 0.00 C ATOM 677 NE1 TRP A 43 4.679 0.409 1.534 1.00 0.00 N ATOM 678 CE2 TRP A 43 5.172 -0.693 0.930 1.00 0.00 C ATOM 679 CE3 TRP A 43 4.692 -3.044 1.007 1.00 0.00 C ATOM 680 CZ2 TRP A 43 6.170 -0.882 0.003 1.00 0.00 C ATOM 681 CZ3 TRP A 43 5.705 -3.258 0.063 1.00 0.00 C ATOM 682 CH2 TRP A 43 6.452 -2.176 -0.439 1.00 0.00 C ATOM 0 H TRP A 43 2.268 0.597 4.559 1.00 0.00 H new ATOM 0 HA TRP A 43 0.538 -1.132 2.799 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.982 -2.146 4.210 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.171 -2.781 2.792 1.00 0.00 H new ATOM 0 HD1 TRP A 43 3.196 0.869 3.023 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.014 1.353 1.340 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.123 -3.880 1.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.729 -0.040 -0.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.914 -4.260 -0.282 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.237 -2.345 -1.161 1.00 0.00 H new ATOM 693 N ILE A 44 1.688 -1.108 5.838 1.00 0.00 N ATOM 694 CA ILE A 44 1.518 -1.361 7.265 1.00 0.00 C ATOM 695 C ILE A 44 1.984 -2.751 7.629 1.00 0.00 C ATOM 696 O ILE A 44 1.670 -3.274 8.680 1.00 0.00 O ATOM 697 CB ILE A 44 0.047 -1.214 7.568 1.00 0.00 C ATOM 698 CG1 ILE A 44 -0.521 -0.002 6.837 1.00 0.00 C ATOM 699 CG2 ILE A 44 -0.107 -1.021 9.075 1.00 0.00 C ATOM 700 CD1 ILE A 44 -1.959 -0.304 6.418 1.00 0.00 C ATOM 0 H ILE A 44 2.549 -0.610 5.613 1.00 0.00 H new ATOM 0 HA ILE A 44 2.114 -0.657 7.846 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.493 -2.101 7.238 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.493 0.875 7.484 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.086 0.228 5.961 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.163 -0.912 9.322 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.300 -1.888 9.596 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.432 -0.126 9.384 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.374 0.557 5.894 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.971 -1.171 5.757 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.559 -0.514 7.303 1.00 0.00 H new ATOM 712 N VAL A 45 2.709 -3.343 6.745 1.00 0.00 N ATOM 713 CA VAL A 45 3.224 -4.723 6.962 1.00 0.00 C ATOM 714 C VAL A 45 3.460 -4.986 8.451 1.00 0.00 C ATOM 715 O VAL A 45 4.369 -4.449 9.052 1.00 0.00 O ATOM 716 CB VAL A 45 4.535 -4.757 6.193 1.00 0.00 C ATOM 717 CG1 VAL A 45 4.255 -4.751 4.688 1.00 0.00 C ATOM 718 CG2 VAL A 45 5.382 -3.538 6.570 1.00 0.00 C ATOM 0 H VAL A 45 2.979 -2.925 5.854 1.00 0.00 H new ATOM 0 HA VAL A 45 2.524 -5.488 6.626 1.00 0.00 H new ATOM 0 HB VAL A 45 5.079 -5.666 6.449 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.198 -4.775 4.142 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.661 -5.626 4.425 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.706 -3.847 4.424 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.322 -3.563 6.018 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.839 -2.626 6.320 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.589 -3.556 7.640 1.00 0.00 H new ATOM 728 N ASN A 46 2.634 -5.791 9.058 1.00 0.00 N ATOM 729 CA ASN A 46 2.800 -6.064 10.512 1.00 0.00 C ATOM 730 C ASN A 46 1.954 -7.263 10.934 1.00 0.00 C ATOM 731 O ASN A 46 1.130 -7.173 11.822 1.00 0.00 O ATOM 732 CB ASN A 46 2.312 -4.783 11.190 1.00 0.00 C ATOM 733 CG ASN A 46 2.250 -4.977 12.704 1.00 0.00 C ATOM 734 OD1 ASN A 46 2.608 -6.020 13.213 1.00 0.00 O ATOM 735 ND2 ASN A 46 1.805 -4.003 13.450 1.00 0.00 N ATOM 0 H ASN A 46 1.853 -6.271 8.611 1.00 0.00 H new ATOM 0 HA ASN A 46 3.827 -6.310 10.780 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.982 -3.958 10.949 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.326 -4.515 10.810 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.757 -4.117 14.463 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.505 -3.128 13.021 1.00 0.00 H new ATOM 1216 N THR B 15 13.831 -15.616 -9.743 1.00 0.00 N ATOM 1217 CA THR B 15 14.557 -14.385 -9.315 1.00 0.00 C ATOM 1218 C THR B 15 13.845 -13.141 -9.857 1.00 0.00 C ATOM 1219 O THR B 15 13.844 -12.893 -11.046 1.00 0.00 O ATOM 1220 CB THR B 15 15.949 -14.518 -9.925 1.00 0.00 C ATOM 1221 OG1 THR B 15 15.840 -14.970 -11.266 1.00 0.00 O ATOM 1222 CG2 THR B 15 16.768 -15.519 -9.107 1.00 0.00 C ATOM 0 HA THR B 15 14.597 -14.280 -8.231 1.00 0.00 H new ATOM 0 HB THR B 15 16.446 -13.548 -9.914 1.00 0.00 H new ATOM 0 HG1 THR B 15 15.076 -15.579 -11.345 1.00 0.00 H new ATOM 0 HG21 THR B 15 17.763 -15.616 -9.541 1.00 0.00 H new ATOM 0 HG22 THR B 15 16.853 -15.166 -8.079 1.00 0.00 H new ATOM 0 HG23 THR B 15 16.272 -16.489 -9.117 1.00 0.00 H new ATOM 1230 N SER B 16 13.232 -12.358 -9.001 1.00 0.00 N ATOM 1231 CA SER B 16 12.523 -11.133 -9.487 1.00 0.00 C ATOM 1232 C SER B 16 13.555 -10.176 -10.162 1.00 0.00 C ATOM 1233 O SER B 16 14.206 -10.630 -11.080 1.00 0.00 O ATOM 1234 CB SER B 16 11.799 -10.588 -8.254 1.00 0.00 C ATOM 1235 OG SER B 16 10.929 -11.592 -7.748 1.00 0.00 O ATOM 0 H SER B 16 13.192 -12.513 -7.994 1.00 0.00 H new ATOM 0 HA SER B 16 11.782 -11.302 -10.269 1.00 0.00 H new ATOM 0 HB2 SER B 16 12.521 -10.296 -7.492 1.00 0.00 H new ATOM 0 HB3 SER B 16 11.232 -9.694 -8.515 1.00 0.00 H new ATOM 0 HG SER B 16 10.462 -11.252 -6.956 1.00 0.00 H new ATOM 1241 N PRO B 17 13.742 -8.898 -9.786 1.00 0.00 N ATOM 1242 CA PRO B 17 13.085 -8.126 -8.716 1.00 0.00 C ATOM 1243 C PRO B 17 12.194 -7.045 -9.322 1.00 0.00 C ATOM 1244 O PRO B 17 12.182 -5.930 -8.838 1.00 0.00 O ATOM 1245 CB PRO B 17 14.279 -7.397 -8.111 1.00 0.00 C ATOM 1246 CG PRO B 17 15.288 -7.312 -9.215 1.00 0.00 C ATOM 1247 CD PRO B 17 14.686 -8.000 -10.397 1.00 0.00 C ATOM 0 HA PRO B 17 12.487 -8.740 -8.043 1.00 0.00 H new ATOM 0 HB2 PRO B 17 13.997 -6.405 -7.758 1.00 0.00 H new ATOM 0 HB3 PRO B 17 14.678 -7.939 -7.254 1.00 0.00 H new ATOM 0 HG2 PRO B 17 15.520 -6.273 -9.448 1.00 0.00 H new ATOM 0 HG3 PRO B 17 16.223 -7.790 -8.923 1.00 0.00 H new ATOM 0 HD2 PRO B 17 14.199 -7.296 -11.072 1.00 0.00 H new ATOM 0 HD3 PRO B 17 15.435 -8.534 -10.981 1.00 0.00 H new ATOM 1255 N PRO B 18 11.522 -7.363 -10.387 1.00 0.00 N ATOM 1256 CA PRO B 18 10.705 -6.340 -11.051 1.00 0.00 C ATOM 1257 C PRO B 18 9.650 -5.748 -10.099 1.00 0.00 C ATOM 1258 O PRO B 18 9.419 -4.557 -10.141 1.00 0.00 O ATOM 1259 CB PRO B 18 10.168 -7.060 -12.285 1.00 0.00 C ATOM 1260 CG PRO B 18 10.225 -8.508 -11.945 1.00 0.00 C ATOM 1261 CD PRO B 18 11.429 -8.663 -11.056 1.00 0.00 C ATOM 0 HA PRO B 18 11.253 -5.446 -11.350 1.00 0.00 H new ATOM 0 HB2 PRO B 18 9.148 -6.748 -12.511 1.00 0.00 H new ATOM 0 HB3 PRO B 18 10.772 -6.838 -13.165 1.00 0.00 H new ATOM 0 HG2 PRO B 18 9.316 -8.828 -11.435 1.00 0.00 H new ATOM 0 HG3 PRO B 18 10.318 -9.119 -12.843 1.00 0.00 H new ATOM 0 HD2 PRO B 18 11.299 -9.475 -10.341 1.00 0.00 H new ATOM 0 HD3 PRO B 18 12.328 -8.885 -11.631 1.00 0.00 H new ATOM 1269 N PRO B 19 9.093 -6.543 -9.209 1.00 0.00 N ATOM 1270 CA PRO B 19 8.157 -5.966 -8.222 1.00 0.00 C ATOM 1271 C PRO B 19 9.000 -5.177 -7.216 1.00 0.00 C ATOM 1272 O PRO B 19 9.293 -5.647 -6.138 1.00 0.00 O ATOM 1273 CB PRO B 19 7.512 -7.183 -7.567 1.00 0.00 C ATOM 1274 CG PRO B 19 8.508 -8.281 -7.748 1.00 0.00 C ATOM 1275 CD PRO B 19 9.249 -7.992 -9.029 1.00 0.00 C ATOM 0 HA PRO B 19 7.402 -5.298 -8.637 1.00 0.00 H new ATOM 0 HB2 PRO B 19 7.308 -7.003 -6.512 1.00 0.00 H new ATOM 0 HB3 PRO B 19 6.561 -7.429 -8.038 1.00 0.00 H new ATOM 0 HG2 PRO B 19 9.197 -8.321 -6.904 1.00 0.00 H new ATOM 0 HG3 PRO B 19 8.010 -9.249 -7.800 1.00 0.00 H new ATOM 0 HD2 PRO B 19 10.299 -8.275 -8.955 1.00 0.00 H new ATOM 0 HD3 PRO B 19 8.828 -8.546 -9.868 1.00 0.00 H new ATOM 1283 N GLU B 20 9.444 -4.008 -7.605 1.00 0.00 N ATOM 1284 CA GLU B 20 10.333 -3.177 -6.726 1.00 0.00 C ATOM 1285 C GLU B 20 9.709 -2.869 -5.361 1.00 0.00 C ATOM 1286 O GLU B 20 9.649 -1.730 -4.956 1.00 0.00 O ATOM 1287 CB GLU B 20 10.551 -1.868 -7.492 1.00 0.00 C ATOM 1288 CG GLU B 20 9.244 -1.417 -8.149 1.00 0.00 C ATOM 1289 CD GLU B 20 9.083 0.095 -7.978 1.00 0.00 C ATOM 1290 OE1 GLU B 20 10.004 0.715 -7.472 1.00 0.00 O ATOM 1291 OE2 GLU B 20 8.043 0.607 -8.355 1.00 0.00 O ATOM 0 H GLU B 20 9.226 -3.585 -8.508 1.00 0.00 H new ATOM 0 HA GLU B 20 11.256 -3.717 -6.516 1.00 0.00 H new ATOM 0 HB2 GLU B 20 10.910 -1.096 -6.812 1.00 0.00 H new ATOM 0 HB3 GLU B 20 11.320 -2.006 -8.252 1.00 0.00 H new ATOM 0 HG2 GLU B 20 9.249 -1.676 -9.208 1.00 0.00 H new ATOM 0 HG3 GLU B 20 8.399 -1.937 -7.697 1.00 0.00 H new ATOM 1298 N CYS B 21 9.287 -3.853 -4.624 1.00 0.00 N ATOM 1299 CA CYS B 21 8.727 -3.542 -3.271 1.00 0.00 C ATOM 1300 C CYS B 21 9.881 -3.343 -2.281 1.00 0.00 C ATOM 1301 O CYS B 21 9.782 -2.566 -1.354 1.00 0.00 O ATOM 1302 CB CYS B 21 7.772 -4.676 -2.816 1.00 0.00 C ATOM 1303 SG CYS B 21 7.914 -6.170 -3.835 1.00 0.00 S ATOM 0 H CYS B 21 9.301 -4.839 -4.885 1.00 0.00 H new ATOM 0 HA CYS B 21 8.146 -2.621 -3.311 1.00 0.00 H new ATOM 0 HB2 CYS B 21 7.985 -4.929 -1.777 1.00 0.00 H new ATOM 0 HB3 CYS B 21 6.744 -4.315 -2.851 1.00 0.00 H new ATOM 0 HG CYS B 21 8.153 -5.833 -5.068 1.00 0.00 H new ATOM 1309 N ILE B 22 10.988 -4.019 -2.483 1.00 0.00 N ATOM 1310 CA ILE B 22 12.154 -3.833 -1.561 1.00 0.00 C ATOM 1311 C ILE B 22 12.901 -2.567 -1.931 1.00 0.00 C ATOM 1312 O ILE B 22 13.107 -1.690 -1.127 1.00 0.00 O ATOM 1313 CB ILE B 22 13.091 -5.019 -1.791 1.00 0.00 C ATOM 1314 CG1 ILE B 22 12.409 -6.369 -1.533 1.00 0.00 C ATOM 1315 CG2 ILE B 22 14.291 -4.887 -0.862 1.00 0.00 C ATOM 1316 CD1 ILE B 22 11.013 -6.194 -0.914 1.00 0.00 C ATOM 0 H ILE B 22 11.134 -4.686 -3.240 1.00 0.00 H new ATOM 0 HA ILE B 22 11.819 -3.767 -0.526 1.00 0.00 H new ATOM 0 HB ILE B 22 13.395 -4.999 -2.838 1.00 0.00 H new ATOM 0 HG12 ILE B 22 12.325 -6.919 -2.470 1.00 0.00 H new ATOM 0 HG13 ILE B 22 13.030 -6.968 -0.867 1.00 0.00 H new ATOM 0 HG21 ILE B 22 14.966 -5.728 -1.018 1.00 0.00 H new ATOM 0 HG22 ILE B 22 14.816 -3.956 -1.076 1.00 0.00 H new ATOM 0 HG23 ILE B 22 13.951 -4.882 0.173 1.00 0.00 H new ATOM 0 HD11 ILE B 22 10.564 -7.173 -0.747 1.00 0.00 H new ATOM 0 HD12 ILE B 22 11.100 -5.668 0.036 1.00 0.00 H new ATOM 0 HD13 ILE B 22 10.384 -5.617 -1.592 1.00 0.00 H new ATOM 1328 N ASN B 23 13.333 -2.470 -3.147 1.00 0.00 N ATOM 1329 CA ASN B 23 14.076 -1.247 -3.533 1.00 0.00 C ATOM 1330 C ASN B 23 13.164 -0.034 -3.369 1.00 0.00 C ATOM 1331 O ASN B 23 13.493 0.889 -2.661 1.00 0.00 O ATOM 1332 CB ASN B 23 14.515 -1.434 -4.984 1.00 0.00 C ATOM 1333 CG ASN B 23 13.309 -1.452 -5.912 1.00 0.00 C ATOM 1334 OD1 ASN B 23 12.302 -2.050 -5.600 1.00 0.00 O ATOM 1335 ND2 ASN B 23 13.372 -0.812 -7.049 1.00 0.00 N ATOM 0 H ASN B 23 13.209 -3.168 -3.880 1.00 0.00 H new ATOM 0 HA ASN B 23 14.951 -1.082 -2.905 1.00 0.00 H new ATOM 0 HB2 ASN B 23 15.190 -0.628 -5.272 1.00 0.00 H new ATOM 0 HB3 ASN B 23 15.071 -2.366 -5.084 1.00 0.00 H new ATOM 0 HD21 ASN B 23 12.571 -0.814 -7.680 1.00 0.00 H new ATOM 0 HD22 ASN B 23 14.222 -0.311 -7.306 1.00 0.00 H new ATOM 1342 N ASP B 24 11.994 -0.039 -3.951 1.00 0.00 N ATOM 1343 CA ASP B 24 11.094 1.126 -3.760 1.00 0.00 C ATOM 1344 C ASP B 24 10.924 1.335 -2.272 1.00 0.00 C ATOM 1345 O ASP B 24 10.603 2.410 -1.805 1.00 0.00 O ATOM 1346 CB ASP B 24 9.768 0.735 -4.404 1.00 0.00 C ATOM 1347 CG ASP B 24 8.882 1.974 -4.548 1.00 0.00 C ATOM 1348 OD1 ASP B 24 9.208 2.985 -3.949 1.00 0.00 O ATOM 1349 OD2 ASP B 24 7.891 1.891 -5.257 1.00 0.00 O ATOM 0 H ASP B 24 11.630 -0.788 -4.540 1.00 0.00 H new ATOM 0 HA ASP B 24 11.477 2.046 -4.201 1.00 0.00 H new ATOM 0 HB2 ASP B 24 9.945 0.287 -5.382 1.00 0.00 H new ATOM 0 HB3 ASP B 24 9.264 -0.016 -3.796 1.00 0.00 H new ATOM 1354 N LEU B 25 11.163 0.301 -1.521 1.00 0.00 N ATOM 1355 CA LEU B 25 11.048 0.408 -0.064 1.00 0.00 C ATOM 1356 C LEU B 25 12.332 0.956 0.492 1.00 0.00 C ATOM 1357 O LEU B 25 12.397 1.990 1.126 1.00 0.00 O ATOM 1358 CB LEU B 25 10.876 -1.031 0.436 1.00 0.00 C ATOM 1359 CG LEU B 25 11.522 -1.217 1.835 1.00 0.00 C ATOM 1360 CD1 LEU B 25 10.452 -1.277 2.907 1.00 0.00 C ATOM 1361 CD2 LEU B 25 12.348 -2.500 1.855 1.00 0.00 C ATOM 0 H LEU B 25 11.435 -0.619 -1.868 1.00 0.00 H new ATOM 0 HA LEU B 25 10.225 1.057 0.235 1.00 0.00 H new ATOM 0 HB2 LEU B 25 9.815 -1.278 0.486 1.00 0.00 H new ATOM 0 HB3 LEU B 25 11.331 -1.723 -0.273 1.00 0.00 H new ATOM 0 HG LEU B 25 12.172 -0.366 2.038 1.00 0.00 H new ATOM 0 HD11 LEU B 25 10.921 -1.408 3.882 1.00 0.00 H new ATOM 0 HD12 LEU B 25 9.879 -0.350 2.901 1.00 0.00 H new ATOM 0 HD13 LEU B 25 9.786 -2.117 2.709 1.00 0.00 H new ATOM 0 HD21 LEU B 25 12.800 -2.627 2.839 1.00 0.00 H new ATOM 0 HD22 LEU B 25 11.703 -3.352 1.640 1.00 0.00 H new ATOM 0 HD23 LEU B 25 13.133 -2.439 1.101 1.00 0.00 H new ATOM 1373 N LEU B 26 13.341 0.177 0.309 1.00 0.00 N ATOM 1374 CA LEU B 26 14.643 0.492 0.856 1.00 0.00 C ATOM 1375 C LEU B 26 15.271 1.679 0.138 1.00 0.00 C ATOM 1376 O LEU B 26 16.329 2.148 0.506 1.00 0.00 O ATOM 1377 CB LEU B 26 15.417 -0.794 0.640 1.00 0.00 C ATOM 1378 CG LEU B 26 16.880 -0.513 0.788 1.00 0.00 C ATOM 1379 CD1 LEU B 26 17.138 -0.087 2.220 1.00 0.00 C ATOM 1380 CD2 LEU B 26 17.677 -1.777 0.471 1.00 0.00 C ATOM 0 H LEU B 26 13.302 -0.695 -0.219 1.00 0.00 H new ATOM 0 HA LEU B 26 14.619 0.794 1.903 1.00 0.00 H new ATOM 0 HB2 LEU B 26 15.104 -1.548 1.362 1.00 0.00 H new ATOM 0 HB3 LEU B 26 15.209 -1.196 -0.351 1.00 0.00 H new ATOM 0 HG LEU B 26 17.187 0.276 0.102 1.00 0.00 H new ATOM 0 HD11 LEU B 26 18.199 0.123 2.351 1.00 0.00 H new ATOM 0 HD12 LEU B 26 16.560 0.810 2.442 1.00 0.00 H new ATOM 0 HD13 LEU B 26 16.840 -0.888 2.897 1.00 0.00 H new ATOM 0 HD21 LEU B 26 18.742 -1.572 0.579 1.00 0.00 H new ATOM 0 HD22 LEU B 26 17.389 -2.571 1.160 1.00 0.00 H new ATOM 0 HD23 LEU B 26 17.470 -2.091 -0.552 1.00 0.00 H new ATOM 1392 N GLN B 27 14.611 2.209 -0.850 1.00 0.00 N ATOM 1393 CA GLN B 27 15.158 3.387 -1.527 1.00 0.00 C ATOM 1394 C GLN B 27 15.086 4.552 -0.539 1.00 0.00 C ATOM 1395 O GLN B 27 15.577 5.634 -0.795 1.00 0.00 O ATOM 1396 CB GLN B 27 14.217 3.628 -2.700 1.00 0.00 C ATOM 1397 CG GLN B 27 14.568 2.674 -3.839 1.00 0.00 C ATOM 1398 CD GLN B 27 15.344 3.398 -4.927 1.00 0.00 C ATOM 1399 OE1 GLN B 27 15.178 4.584 -5.137 1.00 0.00 O ATOM 1400 NE2 GLN B 27 16.195 2.715 -5.634 1.00 0.00 N ATOM 0 H GLN B 27 13.719 1.870 -1.209 1.00 0.00 H new ATOM 0 HA GLN B 27 16.189 3.272 -1.863 1.00 0.00 H new ATOM 0 HB2 GLN B 27 13.184 3.475 -2.388 1.00 0.00 H new ATOM 0 HB3 GLN B 27 14.298 4.661 -3.039 1.00 0.00 H new ATOM 0 HG2 GLN B 27 15.160 1.843 -3.455 1.00 0.00 H new ATOM 0 HG3 GLN B 27 13.656 2.249 -4.258 1.00 0.00 H new ATOM 0 HE21 GLN B 27 16.328 1.720 -5.451 1.00 0.00 H new ATOM 0 HE22 GLN B 27 16.730 3.174 -6.372 1.00 0.00 H new ATOM 1409 N ALA B 28 14.432 4.338 0.587 1.00 0.00 N ATOM 1410 CA ALA B 28 14.284 5.431 1.576 1.00 0.00 C ATOM 1411 C ALA B 28 14.827 5.065 2.969 1.00 0.00 C ATOM 1412 O ALA B 28 15.068 5.950 3.767 1.00 0.00 O ATOM 1413 CB ALA B 28 12.776 5.677 1.654 1.00 0.00 C ATOM 0 H ALA B 28 14.001 3.452 0.851 1.00 0.00 H new ATOM 0 HA ALA B 28 14.856 6.306 1.266 1.00 0.00 H new ATOM 0 HB1 ALA B 28 12.574 6.476 2.368 1.00 0.00 H new ATOM 0 HB2 ALA B 28 12.403 5.966 0.671 1.00 0.00 H new ATOM 0 HB3 ALA B 28 12.275 4.765 1.979 1.00 0.00 H new ATOM 1419 N VAL B 29 15.020 3.807 3.320 1.00 0.00 N ATOM 1420 CA VAL B 29 15.531 3.556 4.699 1.00 0.00 C ATOM 1421 C VAL B 29 17.009 3.213 4.675 1.00 0.00 C ATOM 1422 O VAL B 29 17.573 2.821 5.674 1.00 0.00 O ATOM 1423 CB VAL B 29 14.658 2.428 5.290 1.00 0.00 C ATOM 1424 CG1 VAL B 29 14.192 1.469 4.200 1.00 0.00 C ATOM 1425 CG2 VAL B 29 15.445 1.640 6.342 1.00 0.00 C ATOM 0 H VAL B 29 14.853 2.986 2.739 1.00 0.00 H new ATOM 0 HA VAL B 29 15.457 4.444 5.327 1.00 0.00 H new ATOM 0 HB VAL B 29 13.787 2.893 5.753 1.00 0.00 H new ATOM 0 HG11 VAL B 29 13.579 0.684 4.643 1.00 0.00 H new ATOM 0 HG12 VAL B 29 13.604 2.015 3.462 1.00 0.00 H new ATOM 0 HG13 VAL B 29 15.059 1.021 3.714 1.00 0.00 H new ATOM 0 HG21 VAL B 29 14.816 0.848 6.749 1.00 0.00 H new ATOM 0 HG22 VAL B 29 16.329 1.200 5.881 1.00 0.00 H new ATOM 0 HG23 VAL B 29 15.750 2.310 7.145 1.00 0.00 H new ATOM 1435 N ASP B 30 17.660 3.410 3.565 1.00 0.00 N ATOM 1436 CA ASP B 30 19.117 3.131 3.529 1.00 0.00 C ATOM 1437 C ASP B 30 19.388 1.807 4.199 1.00 0.00 C ATOM 1438 O ASP B 30 19.546 1.740 5.403 1.00 0.00 O ATOM 1439 CB ASP B 30 19.715 4.247 4.367 1.00 0.00 C ATOM 1440 CG ASP B 30 20.088 5.431 3.473 1.00 0.00 C ATOM 1441 OD1 ASP B 30 20.248 5.221 2.283 1.00 0.00 O ATOM 1442 OD2 ASP B 30 20.209 6.528 3.994 1.00 0.00 O ATOM 0 H ASP B 30 17.252 3.747 2.693 1.00 0.00 H new ATOM 0 HA ASP B 30 19.522 3.086 2.518 1.00 0.00 H new ATOM 0 HB2 ASP B 30 19.001 4.565 5.127 1.00 0.00 H new ATOM 0 HB3 ASP B 30 20.599 3.885 4.892 1.00 0.00 H new ATOM 1447 N SER B 31 19.403 0.737 3.482 1.00 0.00 N ATOM 1448 CA SER B 31 19.603 -0.526 4.191 1.00 0.00 C ATOM 1449 C SER B 31 19.954 -1.639 3.211 1.00 0.00 C ATOM 1450 O SER B 31 19.206 -2.572 3.003 1.00 0.00 O ATOM 1451 CB SER B 31 18.235 -0.687 4.849 1.00 0.00 C ATOM 1452 OG SER B 31 18.399 -1.156 6.171 1.00 0.00 O ATOM 0 H SER B 31 19.289 0.683 2.470 1.00 0.00 H new ATOM 0 HA SER B 31 20.426 -0.555 4.905 1.00 0.00 H new ATOM 0 HB2 SER B 31 17.707 0.267 4.853 1.00 0.00 H new ATOM 0 HB3 SER B 31 17.625 -1.386 4.277 1.00 0.00 H new ATOM 0 HG SER B 31 17.602 -1.657 6.442 1.00 0.00 H new ATOM 1458 N GLN B 32 21.108 -1.531 2.614 1.00 0.00 N ATOM 1459 CA GLN B 32 21.552 -2.557 1.640 1.00 0.00 C ATOM 1460 C GLN B 32 21.354 -3.949 2.226 1.00 0.00 C ATOM 1461 O GLN B 32 21.240 -4.912 1.511 1.00 0.00 O ATOM 1462 CB GLN B 32 23.036 -2.271 1.427 1.00 0.00 C ATOM 1463 CG GLN B 32 23.380 -2.434 -0.053 1.00 0.00 C ATOM 1464 CD GLN B 32 24.433 -3.522 -0.213 1.00 0.00 C ATOM 1465 OE1 GLN B 32 25.602 -3.300 0.033 1.00 0.00 O ATOM 1466 NE2 GLN B 32 24.065 -4.702 -0.619 1.00 0.00 N ATOM 0 H GLN B 32 21.767 -0.767 2.763 1.00 0.00 H new ATOM 0 HA GLN B 32 20.990 -2.521 0.707 1.00 0.00 H new ATOM 0 HB2 GLN B 32 23.273 -1.260 1.757 1.00 0.00 H new ATOM 0 HB3 GLN B 32 23.638 -2.952 2.028 1.00 0.00 H new ATOM 0 HG2 GLN B 32 22.485 -2.693 -0.619 1.00 0.00 H new ATOM 0 HG3 GLN B 32 23.751 -1.492 -0.457 1.00 0.00 H new ATOM 0 HE21 GLN B 32 23.083 -4.887 -0.825 1.00 0.00 H new ATOM 0 HE22 GLN B 32 24.758 -5.442 -0.731 1.00 0.00 H new ATOM 1475 N GLU B 33 21.285 -4.070 3.519 1.00 0.00 N ATOM 1476 CA GLU B 33 21.064 -5.420 4.101 1.00 0.00 C ATOM 1477 C GLU B 33 19.701 -5.916 3.646 1.00 0.00 C ATOM 1478 O GLU B 33 19.467 -7.098 3.505 1.00 0.00 O ATOM 1479 CB GLU B 33 21.081 -5.228 5.612 1.00 0.00 C ATOM 1480 CG GLU B 33 22.332 -4.447 6.019 1.00 0.00 C ATOM 1481 CD GLU B 33 23.338 -5.402 6.665 1.00 0.00 C ATOM 1482 OE1 GLU B 33 23.218 -6.595 6.441 1.00 0.00 O ATOM 1483 OE2 GLU B 33 24.210 -4.925 7.371 1.00 0.00 O ATOM 0 H GLU B 33 21.370 -3.306 4.190 1.00 0.00 H new ATOM 0 HA GLU B 33 21.818 -6.144 3.793 1.00 0.00 H new ATOM 0 HB2 GLU B 33 20.187 -4.692 5.930 1.00 0.00 H new ATOM 0 HB3 GLU B 33 21.067 -6.197 6.111 1.00 0.00 H new ATOM 0 HG2 GLU B 33 22.776 -3.969 5.146 1.00 0.00 H new ATOM 0 HG3 GLU B 33 22.068 -3.653 6.717 1.00 0.00 H new ATOM 1490 N VAL B 34 18.807 -5.003 3.402 1.00 0.00 N ATOM 1491 CA VAL B 34 17.452 -5.385 2.936 1.00 0.00 C ATOM 1492 C VAL B 34 17.521 -5.725 1.445 1.00 0.00 C ATOM 1493 O VAL B 34 16.946 -6.696 0.993 1.00 0.00 O ATOM 1494 CB VAL B 34 16.592 -4.143 3.231 1.00 0.00 C ATOM 1495 CG1 VAL B 34 15.636 -3.856 2.071 1.00 0.00 C ATOM 1496 CG2 VAL B 34 15.785 -4.390 4.507 1.00 0.00 C ATOM 0 H VAL B 34 18.960 -4.000 3.507 1.00 0.00 H new ATOM 0 HA VAL B 34 17.034 -6.265 3.425 1.00 0.00 H new ATOM 0 HB VAL B 34 17.247 -3.281 3.359 1.00 0.00 H new ATOM 0 HG11 VAL B 34 15.038 -2.974 2.302 1.00 0.00 H new ATOM 0 HG12 VAL B 34 16.210 -3.678 1.162 1.00 0.00 H new ATOM 0 HG13 VAL B 34 14.977 -4.712 1.922 1.00 0.00 H new ATOM 0 HG21 VAL B 34 15.172 -3.515 4.725 1.00 0.00 H new ATOM 0 HG22 VAL B 34 15.141 -5.259 4.368 1.00 0.00 H new ATOM 0 HG23 VAL B 34 16.466 -4.572 5.339 1.00 0.00 H new ATOM 1506 N ARG B 35 18.253 -4.960 0.686 1.00 0.00 N ATOM 1507 CA ARG B 35 18.393 -5.270 -0.759 1.00 0.00 C ATOM 1508 C ARG B 35 19.386 -6.414 -0.899 1.00 0.00 C ATOM 1509 O ARG B 35 19.154 -7.378 -1.601 1.00 0.00 O ATOM 1510 CB ARG B 35 18.963 -4.007 -1.361 1.00 0.00 C ATOM 1511 CG ARG B 35 17.992 -3.424 -2.382 1.00 0.00 C ATOM 1512 CD ARG B 35 18.796 -2.898 -3.563 1.00 0.00 C ATOM 1513 NE ARG B 35 17.787 -2.526 -4.591 1.00 0.00 N ATOM 1514 CZ ARG B 35 17.583 -1.268 -4.873 1.00 0.00 C ATOM 1515 NH1 ARG B 35 17.717 -0.362 -3.943 1.00 0.00 N ATOM 1516 NH2 ARG B 35 17.248 -0.914 -6.082 1.00 0.00 N ATOM 0 H ARG B 35 18.759 -4.134 1.005 1.00 0.00 H new ATOM 0 HA ARG B 35 17.460 -5.562 -1.241 1.00 0.00 H new ATOM 0 HB2 ARG B 35 19.157 -3.277 -0.575 1.00 0.00 H new ATOM 0 HB3 ARG B 35 19.918 -4.223 -1.839 1.00 0.00 H new ATOM 0 HG2 ARG B 35 17.286 -4.186 -2.713 1.00 0.00 H new ATOM 0 HG3 ARG B 35 17.407 -2.621 -1.934 1.00 0.00 H new ATOM 0 HD2 ARG B 35 19.400 -2.037 -3.275 1.00 0.00 H new ATOM 0 HD3 ARG B 35 19.481 -3.656 -3.941 1.00 0.00 H new ATOM 0 HE ARG B 35 17.257 -3.251 -5.074 1.00 0.00 H new ATOM 0 HH11 ARG B 35 17.981 -0.637 -2.997 1.00 0.00 H new ATOM 0 HH12 ARG B 35 17.558 0.621 -4.162 1.00 0.00 H new ATOM 0 HH21 ARG B 35 17.145 -1.621 -6.810 1.00 0.00 H new ATOM 0 HH22 ARG B 35 17.089 0.070 -6.300 1.00 0.00 H new ATOM 1530 N ASP B 36 20.479 -6.330 -0.185 1.00 0.00 N ATOM 1531 CA ASP B 36 21.469 -7.428 -0.222 1.00 0.00 C ATOM 1532 C ASP B 36 20.724 -8.686 0.175 1.00 0.00 C ATOM 1533 O ASP B 36 21.042 -9.786 -0.224 1.00 0.00 O ATOM 1534 CB ASP B 36 22.526 -7.068 0.827 1.00 0.00 C ATOM 1535 CG ASP B 36 23.771 -7.929 0.612 1.00 0.00 C ATOM 1536 OD1 ASP B 36 23.673 -8.906 -0.113 1.00 0.00 O ATOM 1537 OD2 ASP B 36 24.801 -7.597 1.175 1.00 0.00 O ATOM 0 H ASP B 36 20.722 -5.545 0.420 1.00 0.00 H new ATOM 0 HA ASP B 36 21.940 -7.575 -1.194 1.00 0.00 H new ATOM 0 HB2 ASP B 36 22.784 -6.012 0.751 1.00 0.00 H new ATOM 0 HB3 ASP B 36 22.129 -7.228 1.829 1.00 0.00 H new ATOM 1542 N TYR B 37 19.687 -8.484 0.934 1.00 0.00 N ATOM 1543 CA TYR B 37 18.821 -9.582 1.369 1.00 0.00 C ATOM 1544 C TYR B 37 17.901 -9.914 0.205 1.00 0.00 C ATOM 1545 O TYR B 37 17.797 -11.039 -0.230 1.00 0.00 O ATOM 1546 CB TYR B 37 18.050 -8.994 2.548 1.00 0.00 C ATOM 1547 CG TYR B 37 16.728 -9.690 2.653 1.00 0.00 C ATOM 1548 CD1 TYR B 37 15.694 -9.304 1.805 1.00 0.00 C ATOM 1549 CD2 TYR B 37 16.557 -10.757 3.537 1.00 0.00 C ATOM 1550 CE1 TYR B 37 14.486 -9.980 1.825 1.00 0.00 C ATOM 1551 CE2 TYR B 37 15.336 -11.433 3.574 1.00 0.00 C ATOM 1552 CZ TYR B 37 14.302 -11.052 2.715 1.00 0.00 C ATOM 1553 OH TYR B 37 13.111 -11.749 2.735 1.00 0.00 O ATOM 0 H TYR B 37 19.404 -7.566 1.276 1.00 0.00 H new ATOM 0 HA TYR B 37 19.339 -10.496 1.659 1.00 0.00 H new ATOM 0 HB2 TYR B 37 18.617 -9.119 3.470 1.00 0.00 H new ATOM 0 HB3 TYR B 37 17.903 -7.923 2.407 1.00 0.00 H new ATOM 0 HD1 TYR B 37 15.835 -8.474 1.129 1.00 0.00 H new ATOM 0 HD2 TYR B 37 17.364 -11.058 4.188 1.00 0.00 H new ATOM 0 HE1 TYR B 37 13.688 -9.685 1.159 1.00 0.00 H new ATOM 0 HE2 TYR B 37 15.191 -12.250 4.266 1.00 0.00 H new ATOM 0 HH TYR B 37 12.643 -11.572 3.578 1.00 0.00 H new ATOM 1563 N CYS B 38 17.257 -8.917 -0.315 1.00 0.00 N ATOM 1564 CA CYS B 38 16.346 -9.117 -1.463 1.00 0.00 C ATOM 1565 C CYS B 38 17.070 -9.900 -2.557 1.00 0.00 C ATOM 1566 O CYS B 38 16.592 -10.906 -3.033 1.00 0.00 O ATOM 1567 CB CYS B 38 16.019 -7.694 -1.901 1.00 0.00 C ATOM 1568 SG CYS B 38 14.637 -7.689 -3.058 1.00 0.00 S ATOM 0 H CYS B 38 17.325 -7.954 0.014 1.00 0.00 H new ATOM 0 HA CYS B 38 15.447 -9.688 -1.230 1.00 0.00 H new ATOM 0 HB2 CYS B 38 15.773 -7.087 -1.030 1.00 0.00 H new ATOM 0 HB3 CYS B 38 16.894 -7.241 -2.368 1.00 0.00 H new ATOM 0 HG CYS B 38 14.133 -8.885 -3.137 1.00 0.00 H new ATOM 1574 N GLU B 39 18.238 -9.470 -2.934 1.00 0.00 N ATOM 1575 CA GLU B 39 19.000 -10.223 -3.957 1.00 0.00 C ATOM 1576 C GLU B 39 19.542 -11.489 -3.306 1.00 0.00 C ATOM 1577 O GLU B 39 20.014 -12.388 -3.974 1.00 0.00 O ATOM 1578 CB GLU B 39 20.138 -9.296 -4.367 1.00 0.00 C ATOM 1579 CG GLU B 39 20.870 -8.838 -3.108 1.00 0.00 C ATOM 1580 CD GLU B 39 22.329 -9.293 -3.172 1.00 0.00 C ATOM 1581 OE1 GLU B 39 23.107 -8.626 -3.834 1.00 0.00 O ATOM 1582 OE2 GLU B 39 22.644 -10.299 -2.558 1.00 0.00 O ATOM 0 H GLU B 39 18.696 -8.631 -2.578 1.00 0.00 H new ATOM 0 HA GLU B 39 18.402 -10.513 -4.821 1.00 0.00 H new ATOM 0 HB2 GLU B 39 20.825 -9.813 -5.037 1.00 0.00 H new ATOM 0 HB3 GLU B 39 19.748 -8.436 -4.912 1.00 0.00 H new ATOM 0 HG2 GLU B 39 20.820 -7.753 -3.020 1.00 0.00 H new ATOM 0 HG3 GLU B 39 20.387 -9.252 -2.223 1.00 0.00 H new ATOM 1589 N LYS B 40 19.422 -11.598 -2.004 1.00 0.00 N ATOM 1590 CA LYS B 40 19.872 -12.839 -1.342 1.00 0.00 C ATOM 1591 C LYS B 40 18.691 -13.771 -1.409 1.00 0.00 C ATOM 1592 O LYS B 40 18.804 -14.975 -1.525 1.00 0.00 O ATOM 1593 CB LYS B 40 20.168 -12.496 0.118 1.00 0.00 C ATOM 1594 CG LYS B 40 20.490 -13.784 0.875 1.00 0.00 C ATOM 1595 CD LYS B 40 21.113 -13.436 2.224 1.00 0.00 C ATOM 1596 CE LYS B 40 20.430 -14.247 3.327 1.00 0.00 C ATOM 1597 NZ LYS B 40 21.491 -14.489 4.343 1.00 0.00 N ATOM 0 H LYS B 40 19.035 -10.884 -1.387 1.00 0.00 H new ATOM 0 HA LYS B 40 20.758 -13.280 -1.799 1.00 0.00 H new ATOM 0 HB2 LYS B 40 21.007 -11.803 0.179 1.00 0.00 H new ATOM 0 HB3 LYS B 40 19.310 -11.998 0.569 1.00 0.00 H new ATOM 0 HG2 LYS B 40 19.582 -14.370 1.021 1.00 0.00 H new ATOM 0 HG3 LYS B 40 21.176 -14.399 0.293 1.00 0.00 H new ATOM 0 HD2 LYS B 40 22.182 -13.651 2.209 1.00 0.00 H new ATOM 0 HD3 LYS B 40 21.005 -12.370 2.422 1.00 0.00 H new ATOM 0 HE2 LYS B 40 19.590 -13.700 3.756 1.00 0.00 H new ATOM 0 HE3 LYS B 40 20.034 -15.186 2.939 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 21.097 -15.041 5.132 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 22.274 -15.017 3.908 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 21.844 -13.578 4.700 1.00 0.00 H new ATOM 1611 N LYS B 41 17.544 -13.167 -1.354 1.00 0.00 N ATOM 1612 CA LYS B 41 16.284 -13.909 -1.428 1.00 0.00 C ATOM 1613 C LYS B 41 16.147 -14.440 -2.824 1.00 0.00 C ATOM 1614 O LYS B 41 16.051 -15.624 -3.080 1.00 0.00 O ATOM 1615 CB LYS B 41 15.218 -12.853 -1.247 1.00 0.00 C ATOM 1616 CG LYS B 41 15.369 -12.064 0.033 1.00 0.00 C ATOM 1617 CD LYS B 41 16.152 -12.855 1.067 1.00 0.00 C ATOM 1618 CE LYS B 41 15.210 -13.835 1.756 1.00 0.00 C ATOM 1619 NZ LYS B 41 16.098 -14.801 2.461 1.00 0.00 N ATOM 0 H LYS B 41 17.435 -12.157 -1.258 1.00 0.00 H new ATOM 0 HA LYS B 41 16.223 -14.721 -0.703 1.00 0.00 H new ATOM 0 HB2 LYS B 41 15.248 -12.167 -2.094 1.00 0.00 H new ATOM 0 HB3 LYS B 41 14.238 -13.330 -1.258 1.00 0.00 H new ATOM 0 HG2 LYS B 41 15.878 -11.123 -0.173 1.00 0.00 H new ATOM 0 HG3 LYS B 41 14.385 -11.814 0.429 1.00 0.00 H new ATOM 0 HD2 LYS B 41 16.971 -13.392 0.589 1.00 0.00 H new ATOM 0 HD3 LYS B 41 16.597 -12.181 1.799 1.00 0.00 H new ATOM 0 HE2 LYS B 41 14.552 -13.322 2.457 1.00 0.00 H new ATOM 0 HE3 LYS B 41 14.572 -14.342 1.033 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 15.518 -15.506 2.958 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 16.708 -15.280 1.769 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 16.689 -14.291 3.149 1.00 0.00 H new ATOM 1633 N GLY B 42 16.168 -13.517 -3.732 1.00 0.00 N ATOM 1634 CA GLY B 42 16.073 -13.861 -5.152 1.00 0.00 C ATOM 1635 C GLY B 42 15.171 -12.900 -5.926 1.00 0.00 C ATOM 1636 O GLY B 42 14.254 -13.299 -6.609 1.00 0.00 O ATOM 0 H GLY B 42 16.249 -12.519 -3.538 1.00 0.00 H new ATOM 0 HA2 GLY B 42 17.070 -13.853 -5.592 1.00 0.00 H new ATOM 0 HA3 GLY B 42 15.688 -14.876 -5.252 1.00 0.00 H new ATOM 1640 N TRP B 43 15.480 -11.639 -5.876 1.00 0.00 N ATOM 1641 CA TRP B 43 14.715 -10.644 -6.678 1.00 0.00 C ATOM 1642 C TRP B 43 15.756 -9.960 -7.461 1.00 0.00 C ATOM 1643 O TRP B 43 15.722 -9.812 -8.666 1.00 0.00 O ATOM 1644 CB TRP B 43 14.098 -9.555 -5.811 1.00 0.00 C ATOM 1645 CG TRP B 43 13.575 -10.043 -4.519 1.00 0.00 C ATOM 1646 CD1 TRP B 43 14.098 -11.041 -3.808 1.00 0.00 C ATOM 1647 CD2 TRP B 43 12.470 -9.523 -3.721 1.00 0.00 C ATOM 1648 NE1 TRP B 43 13.396 -11.189 -2.678 1.00 0.00 N ATOM 1649 CE2 TRP B 43 12.399 -10.285 -2.548 1.00 0.00 C ATOM 1650 CE3 TRP B 43 11.536 -8.491 -3.891 1.00 0.00 C ATOM 1651 CZ2 TRP B 43 11.470 -10.054 -1.561 1.00 0.00 C ATOM 1652 CZ3 TRP B 43 10.581 -8.241 -2.898 1.00 0.00 C ATOM 1653 CH2 TRP B 43 10.548 -9.017 -1.726 1.00 0.00 C ATOM 0 H TRP B 43 16.234 -11.249 -5.311 1.00 0.00 H new ATOM 0 HA TRP B 43 13.922 -11.141 -7.237 1.00 0.00 H new ATOM 0 HB2 TRP B 43 14.848 -8.787 -5.621 1.00 0.00 H new ATOM 0 HB3 TRP B 43 13.288 -9.080 -6.364 1.00 0.00 H new ATOM 0 HD1 TRP B 43 14.952 -11.636 -4.097 1.00 0.00 H new ATOM 0 HE1 TRP B 43 13.593 -11.911 -1.985 1.00 0.00 H new ATOM 0 HE3 TRP B 43 11.553 -7.889 -4.788 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 11.453 -10.665 -0.671 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 9.864 -7.445 -3.034 1.00 0.00 H new ATOM 0 HH2 TRP B 43 9.816 -8.813 -0.959 1.00 0.00 H new ATOM 1664 N ILE B 44 16.731 -9.597 -6.699 1.00 0.00 N ATOM 1665 CA ILE B 44 17.942 -8.943 -7.190 1.00 0.00 C ATOM 1666 C ILE B 44 17.736 -7.452 -7.348 1.00 0.00 C ATOM 1667 O ILE B 44 18.500 -6.768 -7.997 1.00 0.00 O ATOM 1668 CB ILE B 44 18.263 -9.564 -8.527 1.00 0.00 C ATOM 1669 CG1 ILE B 44 18.056 -11.075 -8.472 1.00 0.00 C ATOM 1670 CG2 ILE B 44 19.724 -9.259 -8.844 1.00 0.00 C ATOM 1671 CD1 ILE B 44 17.530 -11.550 -9.825 1.00 0.00 C ATOM 0 H ILE B 44 16.728 -9.741 -5.689 1.00 0.00 H new ATOM 0 HA ILE B 44 18.758 -9.080 -6.480 1.00 0.00 H new ATOM 0 HB ILE B 44 17.607 -9.156 -9.296 1.00 0.00 H new ATOM 0 HG12 ILE B 44 18.995 -11.576 -8.235 1.00 0.00 H new ATOM 0 HG13 ILE B 44 17.350 -11.331 -7.682 1.00 0.00 H new ATOM 0 HG21 ILE B 44 19.986 -9.696 -9.807 1.00 0.00 H new ATOM 0 HG22 ILE B 44 19.870 -8.180 -8.884 1.00 0.00 H new ATOM 0 HG23 ILE B 44 20.361 -9.683 -8.068 1.00 0.00 H new ATOM 0 HD11 ILE B 44 17.378 -12.629 -9.798 1.00 0.00 H new ATOM 0 HD12 ILE B 44 16.583 -11.056 -10.041 1.00 0.00 H new ATOM 0 HD13 ILE B 44 18.253 -11.305 -10.603 1.00 0.00 H new ATOM 1683 N VAL B 45 16.690 -6.975 -6.774 1.00 0.00 N ATOM 1684 CA VAL B 45 16.346 -5.530 -6.863 1.00 0.00 C ATOM 1685 C VAL B 45 17.606 -4.667 -7.004 1.00 0.00 C ATOM 1686 O VAL B 45 18.410 -4.567 -6.099 1.00 0.00 O ATOM 1687 CB VAL B 45 15.639 -5.238 -5.549 1.00 0.00 C ATOM 1688 CG1 VAL B 45 14.254 -5.887 -5.545 1.00 0.00 C ATOM 1689 CG2 VAL B 45 16.474 -5.787 -4.390 1.00 0.00 C ATOM 0 H VAL B 45 16.033 -7.533 -6.229 1.00 0.00 H new ATOM 0 HA VAL B 45 15.731 -5.304 -7.734 1.00 0.00 H new ATOM 0 HB VAL B 45 15.523 -4.160 -5.434 1.00 0.00 H new ATOM 0 HG11 VAL B 45 13.755 -5.673 -4.600 1.00 0.00 H new ATOM 0 HG12 VAL B 45 13.662 -5.486 -6.368 1.00 0.00 H new ATOM 0 HG13 VAL B 45 14.357 -6.965 -5.665 1.00 0.00 H new ATOM 0 HG21 VAL B 45 15.969 -5.579 -3.447 1.00 0.00 H new ATOM 0 HG22 VAL B 45 16.595 -6.864 -4.507 1.00 0.00 H new ATOM 0 HG23 VAL B 45 17.454 -5.310 -4.390 1.00 0.00 H new