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 -142:sc= 0.0109 USER MOD Set 1.2: B 31 SER OG : rot 64:sc= 0.00802 USER MOD Set 2.1: A 21 CYS SG : rot -37:sc= -5.81! USER MOD Set 2.2: B 21 CYS SG : rot -37:sc= -5.31! USER MOD Single : A 15 THR OG1 : rot -34:sc= 0.513 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= -1.47! K(o=-1.5!,f=-0.3) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot -108:sc= -2.33! USER MOD Single : A 38 CYS SG : rot 3:sc= -15.8! 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= -1.43! C(o=-1.4!,f=-5.4!) USER MOD Single : B 15 THR OG1 : rot -35:sc= 0.621 USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 23 ASN : amide:sc= -10.7! C(o=-11!,f=-30!) USER MOD Single : B 27 GLN : amide:sc= -1.39! K(o=-1.4!,f=-0.28) USER MOD Single : B 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 37 TYR OH : rot -113:sc= -1.51! USER MOD Single : B 38 CYS SG : rot -2:sc= -15.5! 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 -3.308 1.739 1.623 1.00 0.00 N ATOM 246 CA THR A 15 -2.486 1.112 2.697 1.00 0.00 C ATOM 247 C THR A 15 -2.523 -0.419 2.582 1.00 0.00 C ATOM 248 O THR A 15 -3.509 -1.043 2.915 1.00 0.00 O ATOM 249 CB THR A 15 -3.129 1.572 4.003 1.00 0.00 C ATOM 250 OG1 THR A 15 -4.538 1.400 3.929 1.00 0.00 O ATOM 251 CG2 THR A 15 -2.801 3.047 4.234 1.00 0.00 C ATOM 0 HA THR A 15 -1.437 1.401 2.634 1.00 0.00 H new ATOM 0 HB THR A 15 -2.740 0.978 4.830 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.840 1.566 3.012 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.258 3.380 5.166 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.720 3.174 4.295 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.190 3.640 3.407 1.00 0.00 H new ATOM 259 N SER A 16 -1.458 -1.026 2.109 1.00 0.00 N ATOM 260 CA SER A 16 -1.442 -2.518 1.978 1.00 0.00 C ATOM 261 C SER A 16 -1.643 -3.165 3.389 1.00 0.00 C ATOM 262 O SER A 16 -2.663 -2.879 3.981 1.00 0.00 O ATOM 263 CB SER A 16 -0.120 -2.834 1.275 1.00 0.00 C ATOM 264 OG SER A 16 -0.124 -2.223 -0.009 1.00 0.00 O ATOM 0 H SER A 16 -0.604 -0.555 1.810 1.00 0.00 H new ATOM 0 HA SER A 16 -2.254 -2.939 1.385 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.719 -2.465 1.865 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.008 -3.912 1.179 1.00 0.00 H new ATOM 0 HG SER A 16 0.720 -2.418 -0.467 1.00 0.00 H new ATOM 270 N PRO A 17 -0.762 -4.011 3.956 1.00 0.00 N ATOM 271 CA PRO A 17 0.532 -4.507 3.445 1.00 0.00 C ATOM 272 C PRO A 17 0.431 -5.997 3.120 1.00 0.00 C ATOM 273 O PRO A 17 1.345 -6.740 3.415 1.00 0.00 O ATOM 274 CB PRO A 17 1.396 -4.412 4.700 1.00 0.00 C ATOM 275 CG PRO A 17 0.436 -4.504 5.846 1.00 0.00 C ATOM 276 CD PRO A 17 -0.933 -4.612 5.253 1.00 0.00 C ATOM 0 HA PRO A 17 0.880 -3.973 2.561 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.129 -5.218 4.735 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.951 -3.474 4.726 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.658 -5.371 6.468 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.512 -3.625 6.486 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.262 -5.649 5.179 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -1.676 -4.083 5.850 1.00 0.00 H new ATOM 284 N PRO A 18 -0.680 -6.417 2.590 1.00 0.00 N ATOM 285 CA PRO A 18 -0.854 -7.854 2.329 1.00 0.00 C ATOM 286 C PRO A 18 0.237 -8.413 1.394 1.00 0.00 C ATOM 287 O PRO A 18 0.691 -9.518 1.616 1.00 0.00 O ATOM 288 CB PRO A 18 -2.286 -7.950 1.811 1.00 0.00 C ATOM 289 CG PRO A 18 -2.599 -6.594 1.283 1.00 0.00 C ATOM 290 CD PRO A 18 -1.848 -5.637 2.167 1.00 0.00 C ATOM 0 HA PRO A 18 -0.725 -8.485 3.208 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.373 -8.707 1.031 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.975 -8.232 2.607 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -2.287 -6.496 0.243 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.671 -6.398 1.314 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.556 -4.736 1.628 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -2.450 -5.319 3.018 1.00 0.00 H new ATOM 298 N PRO A 19 0.698 -7.645 0.431 1.00 0.00 N ATOM 299 CA PRO A 19 1.812 -8.140 -0.409 1.00 0.00 C ATOM 300 C PRO A 19 3.071 -8.104 0.460 1.00 0.00 C ATOM 301 O PRO A 19 3.870 -7.197 0.374 1.00 0.00 O ATOM 302 CB PRO A 19 1.893 -7.128 -1.548 1.00 0.00 C ATOM 303 CG PRO A 19 1.302 -5.878 -0.984 1.00 0.00 C ATOM 304 CD PRO A 19 0.264 -6.303 0.022 1.00 0.00 C ATOM 0 HA PRO A 19 1.690 -9.152 -0.794 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.924 -6.971 -1.866 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.338 -7.470 -2.422 1.00 0.00 H new ATOM 0 HG2 PRO A 19 2.070 -5.266 -0.512 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.852 -5.273 -1.772 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.226 -5.619 0.870 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.734 -6.322 -0.417 1.00 0.00 H new ATOM 312 N GLU A 20 3.199 -9.059 1.345 1.00 0.00 N ATOM 313 CA GLU A 20 4.355 -9.090 2.302 1.00 0.00 C ATOM 314 C GLU A 20 5.721 -9.086 1.611 1.00 0.00 C ATOM 315 O GLU A 20 6.555 -9.919 1.890 1.00 0.00 O ATOM 316 CB GLU A 20 4.184 -10.389 3.092 1.00 0.00 C ATOM 317 CG GLU A 20 3.774 -11.526 2.152 1.00 0.00 C ATOM 318 CD GLU A 20 2.374 -12.016 2.527 1.00 0.00 C ATOM 319 OE1 GLU A 20 1.959 -11.762 3.645 1.00 0.00 O ATOM 320 OE2 GLU A 20 1.740 -12.636 1.689 1.00 0.00 O ATOM 0 H GLU A 20 2.543 -9.833 1.449 1.00 0.00 H new ATOM 0 HA GLU A 20 4.344 -8.194 2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.116 -10.642 3.597 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.428 -10.256 3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.785 -11.180 1.118 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.489 -12.346 2.222 1.00 0.00 H new ATOM 327 N CYS A 21 5.994 -8.142 0.761 1.00 0.00 N ATOM 328 CA CYS A 21 7.356 -8.114 0.145 1.00 0.00 C ATOM 329 C CYS A 21 8.330 -7.452 1.125 1.00 0.00 C ATOM 330 O CYS A 21 9.494 -7.796 1.183 1.00 0.00 O ATOM 331 CB CYS A 21 7.312 -7.368 -1.213 1.00 0.00 C ATOM 332 SG CYS A 21 5.769 -6.441 -1.456 1.00 0.00 S ATOM 0 H CYS A 21 5.355 -7.403 0.468 1.00 0.00 H new ATOM 0 HA CYS A 21 7.700 -9.129 -0.054 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.156 -6.681 -1.273 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.429 -8.089 -2.022 1.00 0.00 H new ATOM 0 HG CYS A 21 4.776 -7.112 -0.953 1.00 0.00 H new ATOM 338 N ILE A 22 7.856 -6.515 1.913 1.00 0.00 N ATOM 339 CA ILE A 22 8.754 -5.848 2.910 1.00 0.00 C ATOM 340 C ILE A 22 8.909 -6.726 4.138 1.00 0.00 C ATOM 341 O ILE A 22 9.995 -7.054 4.552 1.00 0.00 O ATOM 342 CB ILE A 22 8.049 -4.562 3.343 1.00 0.00 C ATOM 343 CG1 ILE A 22 7.748 -3.623 2.170 1.00 0.00 C ATOM 344 CG2 ILE A 22 8.928 -3.825 4.345 1.00 0.00 C ATOM 345 CD1 ILE A 22 8.348 -4.136 0.852 1.00 0.00 C ATOM 0 H ILE A 22 6.891 -6.185 1.909 1.00 0.00 H new ATOM 0 HA ILE A 22 9.735 -5.661 2.473 1.00 0.00 H new ATOM 0 HB ILE A 22 7.096 -4.852 3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.669 -3.516 2.059 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.146 -2.632 2.388 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.431 -2.907 4.658 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.099 -4.460 5.215 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.883 -3.581 3.880 1.00 0.00 H new ATOM 0 HD11 ILE A 22 8.110 -3.439 0.048 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.430 -4.218 0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.930 -5.115 0.619 1.00 0.00 H new ATOM 357 N ASN A 23 7.824 -7.084 4.750 1.00 0.00 N ATOM 358 CA ASN A 23 7.940 -7.925 5.971 1.00 0.00 C ATOM 359 C ASN A 23 8.588 -9.261 5.615 1.00 0.00 C ATOM 360 O ASN A 23 9.560 -9.659 6.218 1.00 0.00 O ATOM 361 CB ASN A 23 6.523 -8.124 6.505 1.00 0.00 C ATOM 362 CG ASN A 23 5.720 -8.991 5.545 1.00 0.00 C ATOM 363 OD1 ASN A 23 5.860 -8.872 4.347 1.00 0.00 O ATOM 364 ND2 ASN A 23 4.880 -9.868 6.027 1.00 0.00 N ATOM 0 H ASN A 23 6.875 -6.838 4.467 1.00 0.00 H new ATOM 0 HA ASN A 23 8.565 -7.452 6.729 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.559 -8.593 7.488 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.034 -7.158 6.631 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.338 -10.457 5.394 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.766 -9.964 7.036 1.00 0.00 H new ATOM 371 N ASP A 24 8.105 -9.937 4.604 1.00 0.00 N ATOM 372 CA ASP A 24 8.751 -11.216 4.219 1.00 0.00 C ATOM 373 C ASP A 24 10.200 -10.912 3.914 1.00 0.00 C ATOM 374 O ASP A 24 11.060 -11.770 3.947 1.00 0.00 O ATOM 375 CB ASP A 24 8.022 -11.683 2.964 1.00 0.00 C ATOM 376 CG ASP A 24 8.386 -13.140 2.671 1.00 0.00 C ATOM 377 OD1 ASP A 24 8.691 -13.855 3.612 1.00 0.00 O ATOM 378 OD2 ASP A 24 8.353 -13.517 1.512 1.00 0.00 O ATOM 0 H ASP A 24 7.303 -9.660 4.039 1.00 0.00 H new ATOM 0 HA ASP A 24 8.705 -11.982 4.993 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.945 -11.587 3.100 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.294 -11.052 2.117 1.00 0.00 H new ATOM 383 N LEU A 25 10.472 -9.671 3.631 1.00 0.00 N ATOM 384 CA LEU A 25 11.850 -9.267 3.340 1.00 0.00 C ATOM 385 C LEU A 25 12.558 -8.960 4.629 1.00 0.00 C ATOM 386 O LEU A 25 13.564 -9.537 4.989 1.00 0.00 O ATOM 387 CB LEU A 25 11.730 -7.973 2.527 1.00 0.00 C ATOM 388 CG LEU A 25 12.922 -7.026 2.816 1.00 0.00 C ATOM 389 CD1 LEU A 25 13.888 -7.030 1.649 1.00 0.00 C ATOM 390 CD2 LEU A 25 12.410 -5.612 3.056 1.00 0.00 C ATOM 0 H LEU A 25 9.783 -8.920 3.591 1.00 0.00 H new ATOM 0 HA LEU A 25 12.401 -10.044 2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.697 -8.209 1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.794 -7.471 2.771 1.00 0.00 H new ATOM 0 HG LEU A 25 13.443 -7.377 3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.721 -6.361 1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.265 -8.041 1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 25 13.374 -6.691 0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.252 -4.950 3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.878 -5.262 2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.733 -5.610 3.910 1.00 0.00 H new ATOM 402 N LEU A 26 12.042 -7.973 5.274 1.00 0.00 N ATOM 403 CA LEU A 26 12.642 -7.485 6.495 1.00 0.00 C ATOM 404 C LEU A 26 12.431 -8.480 7.623 1.00 0.00 C ATOM 405 O LEU A 26 12.955 -8.332 8.709 1.00 0.00 O ATOM 406 CB LEU A 26 11.916 -6.176 6.729 1.00 0.00 C ATOM 407 CG LEU A 26 12.132 -5.754 8.147 1.00 0.00 C ATOM 408 CD1 LEU A 26 13.614 -5.496 8.335 1.00 0.00 C ATOM 409 CD2 LEU A 26 11.341 -4.477 8.431 1.00 0.00 C ATOM 0 H LEU A 26 11.200 -7.476 4.985 1.00 0.00 H new ATOM 0 HA LEU A 26 13.722 -7.350 6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.287 -5.411 6.047 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.851 -6.293 6.528 1.00 0.00 H new ATOM 0 HG LEU A 26 11.793 -6.531 8.833 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.802 -5.186 9.363 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.172 -6.408 8.124 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.935 -4.708 7.654 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.501 -4.172 9.465 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.678 -3.684 7.763 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.279 -4.663 8.267 1.00 0.00 H new ATOM 421 N GLN A 27 11.708 -9.528 7.356 1.00 0.00 N ATOM 422 CA GLN A 27 11.514 -10.563 8.377 1.00 0.00 C ATOM 423 C GLN A 27 12.855 -11.259 8.579 1.00 0.00 C ATOM 424 O GLN A 27 13.014 -12.098 9.445 1.00 0.00 O ATOM 425 CB GLN A 27 10.513 -11.517 7.754 1.00 0.00 C ATOM 426 CG GLN A 27 9.101 -11.118 8.180 1.00 0.00 C ATOM 427 CD GLN A 27 8.529 -12.142 9.161 1.00 0.00 C ATOM 428 OE1 GLN A 27 7.761 -11.798 10.038 1.00 0.00 O ATOM 429 NE2 GLN A 27 8.868 -13.393 9.049 1.00 0.00 N ATOM 0 H GLN A 27 11.244 -9.704 6.465 1.00 0.00 H new ATOM 0 HA GLN A 27 11.166 -10.188 9.339 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.598 -11.493 6.668 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.724 -12.539 8.067 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.120 -10.132 8.644 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.457 -11.046 7.304 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.512 -13.683 8.313 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.489 -14.084 9.697 1.00 0.00 H new ATOM 438 N ALA A 28 13.822 -10.933 7.747 1.00 0.00 N ATOM 439 CA ALA A 28 15.136 -11.592 7.853 1.00 0.00 C ATOM 440 C ALA A 28 16.292 -10.595 8.037 1.00 0.00 C ATOM 441 O ALA A 28 17.348 -10.984 8.496 1.00 0.00 O ATOM 442 CB ALA A 28 15.289 -12.338 6.531 1.00 0.00 C ATOM 0 H ALA A 28 13.743 -10.238 7.005 1.00 0.00 H new ATOM 0 HA ALA A 28 15.178 -12.240 8.728 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.244 -12.862 6.518 1.00 0.00 H new ATOM 0 HB2 ALA A 28 14.478 -13.058 6.424 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.254 -11.627 5.706 1.00 0.00 H new ATOM 448 N VAL A 29 16.160 -9.327 7.694 1.00 0.00 N ATOM 449 CA VAL A 29 17.344 -8.445 7.896 1.00 0.00 C ATOM 450 C VAL A 29 17.166 -7.571 9.123 1.00 0.00 C ATOM 451 O VAL A 29 17.956 -6.688 9.374 1.00 0.00 O ATOM 452 CB VAL A 29 17.512 -7.631 6.595 1.00 0.00 C ATOM 453 CG1 VAL A 29 16.158 -7.347 5.949 1.00 0.00 C ATOM 454 CG2 VAL A 29 18.217 -6.302 6.888 1.00 0.00 C ATOM 0 H VAL A 29 15.325 -8.890 7.303 1.00 0.00 H new ATOM 0 HA VAL A 29 18.249 -9.022 8.087 1.00 0.00 H new ATOM 0 HB VAL A 29 18.115 -8.223 5.907 1.00 0.00 H new ATOM 0 HG11 VAL A 29 16.305 -6.772 5.034 1.00 0.00 H new ATOM 0 HG12 VAL A 29 15.664 -8.289 5.711 1.00 0.00 H new ATOM 0 HG13 VAL A 29 15.538 -6.777 6.640 1.00 0.00 H new ATOM 0 HG21 VAL A 29 18.329 -5.738 5.962 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.623 -5.724 7.596 1.00 0.00 H new ATOM 0 HG23 VAL A 29 19.201 -6.498 7.315 1.00 0.00 H new ATOM 464 N ASP A 30 16.171 -7.836 9.920 1.00 0.00 N ATOM 465 CA ASP A 30 16.007 -7.023 11.149 1.00 0.00 C ATOM 466 C ASP A 30 16.153 -5.563 10.796 1.00 0.00 C ATOM 467 O ASP A 30 17.249 -5.043 10.736 1.00 0.00 O ATOM 468 CB ASP A 30 17.173 -7.450 12.021 1.00 0.00 C ATOM 469 CG ASP A 30 16.749 -8.597 12.940 1.00 0.00 C ATOM 470 OD1 ASP A 30 15.691 -9.156 12.705 1.00 0.00 O ATOM 471 OD2 ASP A 30 17.489 -8.895 13.862 1.00 0.00 O ATOM 0 H ASP A 30 15.476 -8.568 9.776 1.00 0.00 H new ATOM 0 HA ASP A 30 15.040 -7.159 11.633 1.00 0.00 H new ATOM 0 HB2 ASP A 30 18.009 -7.764 11.396 1.00 0.00 H new ATOM 0 HB3 ASP A 30 17.520 -6.606 12.617 1.00 0.00 H new ATOM 476 N SER A 31 15.096 -4.886 10.513 1.00 0.00 N ATOM 477 CA SER A 31 15.296 -3.494 10.108 1.00 0.00 C ATOM 478 C SER A 31 13.977 -2.728 10.156 1.00 0.00 C ATOM 479 O SER A 31 13.448 -2.308 9.149 1.00 0.00 O ATOM 480 CB SER A 31 15.835 -3.700 8.694 1.00 0.00 C ATOM 481 OG SER A 31 16.916 -2.819 8.464 1.00 0.00 O ATOM 0 H SER A 31 14.134 -5.222 10.543 1.00 0.00 H new ATOM 0 HA SER A 31 15.957 -2.898 10.738 1.00 0.00 H new ATOM 0 HB2 SER A 31 16.161 -4.732 8.565 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.046 -3.521 7.964 1.00 0.00 H new ATOM 0 HG SER A 31 16.882 -2.494 7.540 1.00 0.00 H new ATOM 487 N GLN A 32 13.446 -2.552 11.336 1.00 0.00 N ATOM 488 CA GLN A 32 12.156 -1.829 11.476 1.00 0.00 C ATOM 489 C GLN A 32 12.184 -0.532 10.675 1.00 0.00 C ATOM 490 O GLN A 32 11.161 -0.004 10.321 1.00 0.00 O ATOM 491 CB GLN A 32 12.021 -1.538 12.970 1.00 0.00 C ATOM 492 CG GLN A 32 10.541 -1.550 13.354 1.00 0.00 C ATOM 493 CD GLN A 32 10.352 -2.389 14.613 1.00 0.00 C ATOM 494 OE1 GLN A 32 10.920 -2.096 15.647 1.00 0.00 O ATOM 495 NE2 GLN A 32 9.569 -3.428 14.572 1.00 0.00 N ATOM 0 H GLN A 32 13.855 -2.881 12.211 1.00 0.00 H new ATOM 0 HA GLN A 32 11.316 -2.412 11.099 1.00 0.00 H new ATOM 0 HB2 GLN A 32 12.565 -2.285 13.549 1.00 0.00 H new ATOM 0 HB3 GLN A 32 12.462 -0.569 13.205 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.190 -0.532 13.526 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.945 -1.959 12.538 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.093 -3.674 13.704 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.432 -3.997 15.408 1.00 0.00 H new ATOM 504 N GLU A 33 13.334 -0.020 10.358 1.00 0.00 N ATOM 505 CA GLU A 33 13.362 1.229 9.553 1.00 0.00 C ATOM 506 C GLU A 33 12.741 0.934 8.195 1.00 0.00 C ATOM 507 O GLU A 33 12.186 1.795 7.542 1.00 0.00 O ATOM 508 CB GLU A 33 14.834 1.586 9.401 1.00 0.00 C ATOM 509 CG GLU A 33 15.451 1.824 10.780 1.00 0.00 C ATOM 510 CD GLU A 33 15.923 3.275 10.885 1.00 0.00 C ATOM 511 OE1 GLU A 33 16.221 3.857 9.855 1.00 0.00 O ATOM 512 OE2 GLU A 33 15.978 3.781 11.994 1.00 0.00 O ATOM 0 H GLU A 33 14.244 -0.403 10.615 1.00 0.00 H new ATOM 0 HA GLU A 33 12.809 2.048 10.014 1.00 0.00 H new ATOM 0 HB2 GLU A 33 15.362 0.782 8.889 1.00 0.00 H new ATOM 0 HB3 GLU A 33 14.940 2.479 8.785 1.00 0.00 H new ATOM 0 HG2 GLU A 33 14.719 1.611 11.559 1.00 0.00 H new ATOM 0 HG3 GLU A 33 16.290 1.146 10.937 1.00 0.00 H new ATOM 519 N VAL A 34 12.825 -0.297 7.779 1.00 0.00 N ATOM 520 CA VAL A 34 12.234 -0.688 6.477 1.00 0.00 C ATOM 521 C VAL A 34 10.732 -0.913 6.668 1.00 0.00 C ATOM 522 O VAL A 34 9.927 -0.497 5.860 1.00 0.00 O ATOM 523 CB VAL A 34 12.992 -1.968 6.082 1.00 0.00 C ATOM 524 CG1 VAL A 34 12.046 -2.982 5.436 1.00 0.00 C ATOM 525 CG2 VAL A 34 14.095 -1.600 5.087 1.00 0.00 C ATOM 0 H VAL A 34 13.281 -1.052 8.291 1.00 0.00 H new ATOM 0 HA VAL A 34 12.329 0.063 5.693 1.00 0.00 H new ATOM 0 HB VAL A 34 13.420 -2.417 6.978 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.604 -3.879 5.165 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.257 -3.244 6.141 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.602 -2.546 4.541 1.00 0.00 H new ATOM 0 HG21 VAL A 34 14.640 -2.499 4.799 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.650 -1.146 4.202 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.782 -0.892 5.551 1.00 0.00 H new ATOM 535 N ARG A 35 10.346 -1.531 7.747 1.00 0.00 N ATOM 536 CA ARG A 35 8.898 -1.734 8.004 1.00 0.00 C ATOM 537 C ARG A 35 8.324 -0.418 8.511 1.00 0.00 C ATOM 538 O ARG A 35 7.291 0.041 8.064 1.00 0.00 O ATOM 539 CB ARG A 35 8.849 -2.786 9.090 1.00 0.00 C ATOM 540 CG ARG A 35 8.250 -4.078 8.544 1.00 0.00 C ATOM 541 CD ARG A 35 7.370 -4.697 9.622 1.00 0.00 C ATOM 542 NE ARG A 35 6.645 -5.806 8.944 1.00 0.00 N ATOM 543 CZ ARG A 35 6.894 -7.044 9.273 1.00 0.00 C ATOM 544 NH1 ARG A 35 8.129 -7.465 9.339 1.00 0.00 N ATOM 545 NH2 ARG A 35 5.911 -7.859 9.536 1.00 0.00 N ATOM 0 H ARG A 35 10.972 -1.904 8.461 1.00 0.00 H new ATOM 0 HA ARG A 35 8.331 -2.040 7.125 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.853 -2.974 9.470 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.253 -2.426 9.929 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.664 -3.875 7.648 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.041 -4.771 8.257 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.969 -5.068 10.454 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.675 -3.964 10.032 1.00 0.00 H new ATOM 0 HE ARG A 35 5.954 -5.599 8.223 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.897 -6.826 9.134 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.325 -8.432 9.596 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.947 -7.529 9.485 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.106 -8.827 9.793 1.00 0.00 H new ATOM 559 N ASP A 36 9.027 0.223 9.409 1.00 0.00 N ATOM 560 CA ASP A 36 8.564 1.540 9.906 1.00 0.00 C ATOM 561 C ASP A 36 8.406 2.418 8.682 1.00 0.00 C ATOM 562 O ASP A 36 7.580 3.305 8.613 1.00 0.00 O ATOM 563 CB ASP A 36 9.689 2.064 10.802 1.00 0.00 C ATOM 564 CG ASP A 36 9.167 3.223 11.651 1.00 0.00 C ATOM 565 OD1 ASP A 36 8.331 2.976 12.505 1.00 0.00 O ATOM 566 OD2 ASP A 36 9.611 4.338 11.434 1.00 0.00 O ATOM 0 H ASP A 36 9.900 -0.113 9.815 1.00 0.00 H new ATOM 0 HA ASP A 36 7.626 1.507 10.461 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.058 1.265 11.445 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.529 2.396 10.192 1.00 0.00 H new ATOM 571 N TYR A 37 9.192 2.112 7.694 1.00 0.00 N ATOM 572 CA TYR A 37 9.139 2.824 6.418 1.00 0.00 C ATOM 573 C TYR A 37 7.937 2.287 5.654 1.00 0.00 C ATOM 574 O TYR A 37 7.072 3.016 5.222 1.00 0.00 O ATOM 575 CB TYR A 37 10.451 2.446 5.738 1.00 0.00 C ATOM 576 CG TYR A 37 10.258 2.522 4.256 1.00 0.00 C ATOM 577 CD1 TYR A 37 9.649 1.456 3.597 1.00 0.00 C ATOM 578 CD2 TYR A 37 10.614 3.676 3.557 1.00 0.00 C ATOM 579 CE1 TYR A 37 9.385 1.536 2.240 1.00 0.00 C ATOM 580 CE2 TYR A 37 10.366 3.756 2.186 1.00 0.00 C ATOM 581 CZ TYR A 37 9.745 2.691 1.527 1.00 0.00 C ATOM 582 OH TYR A 37 9.472 2.792 0.177 1.00 0.00 O ATOM 0 H TYR A 37 9.890 1.369 7.732 1.00 0.00 H new ATOM 0 HA TYR A 37 9.033 3.906 6.493 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.248 3.121 6.051 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.752 1.440 6.029 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.382 0.565 4.146 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.079 4.502 4.074 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.904 0.713 1.732 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.653 4.639 1.635 1.00 0.00 H new ATOM 0 HH TYR A 37 10.306 2.716 -0.332 1.00 0.00 H new ATOM 592 N CYS A 38 7.878 0.998 5.517 1.00 0.00 N ATOM 593 CA CYS A 38 6.748 0.363 4.805 1.00 0.00 C ATOM 594 C CYS A 38 5.430 0.893 5.367 1.00 0.00 C ATOM 595 O CYS A 38 4.573 1.346 4.637 1.00 0.00 O ATOM 596 CB CYS A 38 6.940 -1.122 5.089 1.00 0.00 C ATOM 597 SG CYS A 38 5.924 -2.108 3.975 1.00 0.00 S ATOM 0 H CYS A 38 8.578 0.348 5.875 1.00 0.00 H new ATOM 0 HA CYS A 38 6.720 0.568 3.735 1.00 0.00 H new ATOM 0 HB2 CYS A 38 7.990 -1.390 4.968 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.673 -1.339 6.123 1.00 0.00 H new ATOM 0 HG CYS A 38 5.311 -1.324 3.139 1.00 0.00 H new ATOM 603 N GLU A 39 5.272 0.882 6.657 1.00 0.00 N ATOM 604 CA GLU A 39 4.025 1.432 7.243 1.00 0.00 C ATOM 605 C GLU A 39 4.085 2.952 7.143 1.00 0.00 C ATOM 606 O GLU A 39 3.102 3.637 7.344 1.00 0.00 O ATOM 607 CB GLU A 39 4.043 0.990 8.701 1.00 0.00 C ATOM 608 CG GLU A 39 5.361 1.441 9.324 1.00 0.00 C ATOM 609 CD GLU A 39 5.086 2.483 10.409 1.00 0.00 C ATOM 610 OE1 GLU A 39 4.257 3.348 10.177 1.00 0.00 O ATOM 611 OE2 GLU A 39 5.710 2.399 11.454 1.00 0.00 O ATOM 0 H GLU A 39 5.949 0.518 7.328 1.00 0.00 H new ATOM 0 HA GLU A 39 3.120 1.091 6.740 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.201 1.424 9.239 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.942 -0.093 8.770 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.884 0.586 9.751 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.012 1.862 8.558 1.00 0.00 H new ATOM 618 N LYS A 40 5.225 3.487 6.776 1.00 0.00 N ATOM 619 CA LYS A 40 5.308 4.951 6.604 1.00 0.00 C ATOM 620 C LYS A 40 4.865 5.210 5.189 1.00 0.00 C ATOM 621 O LYS A 40 4.264 6.212 4.855 1.00 0.00 O ATOM 622 CB LYS A 40 6.777 5.342 6.761 1.00 0.00 C ATOM 623 CG LYS A 40 6.932 6.827 6.437 1.00 0.00 C ATOM 624 CD LYS A 40 8.308 7.301 6.897 1.00 0.00 C ATOM 625 CE LYS A 40 8.966 8.118 5.782 1.00 0.00 C ATOM 626 NZ LYS A 40 10.422 8.100 6.098 1.00 0.00 N ATOM 0 H LYS A 40 6.086 2.971 6.593 1.00 0.00 H new ATOM 0 HA LYS A 40 4.703 5.509 7.318 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.114 5.141 7.778 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.399 4.744 6.095 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.817 6.991 5.366 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.151 7.403 6.933 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.213 7.906 7.798 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.933 6.445 7.152 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.769 7.680 4.803 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.580 9.137 5.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.941 8.641 5.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.580 8.529 7.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.763 7.118 6.106 1.00 0.00 H new ATOM 640 N LYS A 41 5.167 4.258 4.361 1.00 0.00 N ATOM 641 CA LYS A 41 4.797 4.331 2.947 1.00 0.00 C ATOM 642 C LYS A 41 3.307 4.188 2.854 1.00 0.00 C ATOM 643 O LYS A 41 2.585 5.030 2.357 1.00 0.00 O ATOM 644 CB LYS A 41 5.400 3.085 2.344 1.00 0.00 C ATOM 645 CG LYS A 41 6.890 2.974 2.573 1.00 0.00 C ATOM 646 CD LYS A 41 7.504 4.342 2.816 1.00 0.00 C ATOM 647 CE LYS A 41 7.731 5.025 1.475 1.00 0.00 C ATOM 648 NZ LYS A 41 7.988 6.456 1.800 1.00 0.00 N ATOM 0 H LYS A 41 5.670 3.411 4.624 1.00 0.00 H new ATOM 0 HA LYS A 41 5.122 5.254 2.467 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.908 2.209 2.767 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.202 3.075 1.272 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.083 2.327 3.429 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.361 2.508 1.708 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.845 4.946 3.440 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.447 4.242 3.353 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.576 4.584 0.947 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.861 4.919 0.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.153 6.987 0.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.164 6.853 2.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.827 6.528 2.411 1.00 0.00 H new ATOM 662 N GLY A 42 2.862 3.090 3.379 1.00 0.00 N ATOM 663 CA GLY A 42 1.427 2.798 3.401 1.00 0.00 C ATOM 664 C GLY A 42 1.125 1.337 3.074 1.00 0.00 C ATOM 665 O GLY A 42 0.363 1.025 2.184 1.00 0.00 O ATOM 0 H GLY A 42 3.452 2.372 3.801 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.025 3.038 4.386 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.917 3.441 2.684 1.00 0.00 H new ATOM 669 N TRP A 43 1.670 0.444 3.844 1.00 0.00 N ATOM 670 CA TRP A 43 1.351 -1.000 3.665 1.00 0.00 C ATOM 671 C TRP A 43 0.940 -1.434 5.012 1.00 0.00 C ATOM 672 O TRP A 43 -0.088 -2.034 5.254 1.00 0.00 O ATOM 673 CB TRP A 43 2.582 -1.834 3.336 1.00 0.00 C ATOM 674 CG TRP A 43 3.554 -1.158 2.455 1.00 0.00 C ATOM 675 CD1 TRP A 43 3.804 0.151 2.452 1.00 0.00 C ATOM 676 CD2 TRP A 43 4.479 -1.741 1.487 1.00 0.00 C ATOM 677 NE1 TRP A 43 4.767 0.410 1.559 1.00 0.00 N ATOM 678 CE2 TRP A 43 5.240 -0.696 0.948 1.00 0.00 C ATOM 679 CE3 TRP A 43 4.735 -3.043 1.026 1.00 0.00 C ATOM 680 CZ2 TRP A 43 6.222 -0.893 0.008 1.00 0.00 C ATOM 681 CZ3 TRP A 43 5.732 -3.264 0.065 1.00 0.00 C ATOM 682 CH2 TRP A 43 6.484 -2.190 -0.442 1.00 0.00 C ATOM 0 H TRP A 43 2.328 0.651 4.596 1.00 0.00 H new ATOM 0 HA TRP A 43 0.623 -1.125 2.864 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.081 -2.108 4.266 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.262 -2.761 2.861 1.00 0.00 H new ATOM 0 HD1 TRP A 43 3.309 0.885 3.071 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.109 1.350 1.360 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.164 -3.874 1.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.785 -0.056 -0.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.923 -4.267 -0.288 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.259 -2.366 -1.174 1.00 0.00 H new ATOM 693 N ILE A 44 1.796 -1.051 5.896 1.00 0.00 N ATOM 694 CA ILE A 44 1.641 -1.294 7.330 1.00 0.00 C ATOM 695 C ILE A 44 2.133 -2.669 7.707 1.00 0.00 C ATOM 696 O ILE A 44 1.850 -3.179 8.773 1.00 0.00 O ATOM 697 CB ILE A 44 0.175 -1.173 7.647 1.00 0.00 C ATOM 698 CG1 ILE A 44 -0.413 0.029 6.925 1.00 0.00 C ATOM 699 CG2 ILE A 44 0.032 -0.987 9.155 1.00 0.00 C ATOM 700 CD1 ILE A 44 -1.814 -0.327 6.433 1.00 0.00 C ATOM 0 H ILE A 44 2.650 -0.547 5.659 1.00 0.00 H new ATOM 0 HA ILE A 44 2.230 -0.571 7.895 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.356 -2.068 7.322 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.456 0.888 7.595 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.221 0.312 6.085 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.023 -0.896 9.412 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.458 -1.848 9.670 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.559 -0.083 9.462 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.245 0.529 5.913 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.755 -1.175 5.750 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.443 -0.589 7.284 1.00 0.00 H new ATOM 712 N VAL A 45 2.847 -3.262 6.821 1.00 0.00 N ATOM 713 CA VAL A 45 3.388 -4.628 7.046 1.00 0.00 C ATOM 714 C VAL A 45 3.646 -4.876 8.537 1.00 0.00 C ATOM 715 O VAL A 45 4.641 -4.454 9.088 1.00 0.00 O ATOM 716 CB VAL A 45 4.689 -4.638 6.262 1.00 0.00 C ATOM 717 CG1 VAL A 45 4.385 -4.674 4.761 1.00 0.00 C ATOM 718 CG2 VAL A 45 5.503 -3.384 6.600 1.00 0.00 C ATOM 0 H VAL A 45 3.092 -2.854 5.919 1.00 0.00 H new ATOM 0 HA VAL A 45 2.699 -5.411 6.728 1.00 0.00 H new ATOM 0 HB VAL A 45 5.267 -5.522 6.530 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.320 -4.681 4.201 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.815 -5.573 4.527 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.804 -3.794 4.486 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.436 -3.393 6.037 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.929 -2.496 6.337 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.724 -3.370 7.667 1.00 0.00 H new ATOM 728 N ASN A 46 2.741 -5.545 9.193 1.00 0.00 N ATOM 729 CA ASN A 46 2.916 -5.806 10.648 1.00 0.00 C ATOM 730 C ASN A 46 1.783 -6.702 11.156 1.00 0.00 C ATOM 731 O ASN A 46 2.001 -7.826 11.562 1.00 0.00 O ATOM 732 CB ASN A 46 2.844 -4.422 11.292 1.00 0.00 C ATOM 733 CG ASN A 46 2.702 -4.560 12.807 1.00 0.00 C ATOM 734 OD1 ASN A 46 2.687 -5.656 13.332 1.00 0.00 O ATOM 735 ND2 ASN A 46 2.596 -3.483 13.536 1.00 0.00 N ATOM 0 H ASN A 46 1.886 -5.923 8.784 1.00 0.00 H new ATOM 0 HA ASN A 46 3.850 -6.318 10.880 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.742 -3.853 11.053 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.998 -3.867 10.888 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.500 -3.560 14.549 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.609 -2.564 13.093 1.00 0.00 H new ATOM 1216 N THR B 15 14.033 -15.558 -9.876 1.00 0.00 N ATOM 1217 CA THR B 15 14.741 -14.315 -9.449 1.00 0.00 C ATOM 1218 C THR B 15 14.034 -13.073 -10.009 1.00 0.00 C ATOM 1219 O THR B 15 14.079 -12.810 -11.194 1.00 0.00 O ATOM 1220 CB THR B 15 16.145 -14.445 -10.031 1.00 0.00 C ATOM 1221 OG1 THR B 15 16.062 -14.904 -11.373 1.00 0.00 O ATOM 1222 CG2 THR B 15 16.950 -15.439 -9.194 1.00 0.00 C ATOM 0 HA THR B 15 14.756 -14.201 -8.365 1.00 0.00 H new ATOM 0 HB THR B 15 16.640 -13.474 -10.014 1.00 0.00 H new ATOM 0 HG1 THR B 15 15.314 -15.532 -11.458 1.00 0.00 H new ATOM 0 HG21 THR B 15 17.954 -15.534 -9.608 1.00 0.00 H new ATOM 0 HG22 THR B 15 17.013 -15.082 -8.166 1.00 0.00 H new ATOM 0 HG23 THR B 15 16.457 -16.411 -9.210 1.00 0.00 H new ATOM 1230 N SER B 16 13.375 -12.314 -9.165 1.00 0.00 N ATOM 1231 CA SER B 16 12.663 -11.091 -9.653 1.00 0.00 C ATOM 1232 C SER B 16 13.700 -10.108 -10.285 1.00 0.00 C ATOM 1233 O SER B 16 14.374 -10.537 -11.199 1.00 0.00 O ATOM 1234 CB SER B 16 11.909 -10.576 -8.426 1.00 0.00 C ATOM 1235 OG SER B 16 11.053 -11.604 -7.947 1.00 0.00 O ATOM 0 H SER B 16 13.300 -12.488 -8.163 1.00 0.00 H new ATOM 0 HA SER B 16 11.945 -11.256 -10.457 1.00 0.00 H new ATOM 0 HB2 SER B 16 12.613 -10.279 -7.649 1.00 0.00 H new ATOM 0 HB3 SER B 16 11.327 -9.691 -8.685 1.00 0.00 H new ATOM 0 HG SER B 16 10.566 -11.284 -7.159 1.00 0.00 H new ATOM 1241 N PRO B 17 13.867 -8.838 -9.875 1.00 0.00 N ATOM 1242 CA PRO B 17 13.179 -8.093 -8.802 1.00 0.00 C ATOM 1243 C PRO B 17 12.291 -7.009 -9.405 1.00 0.00 C ATOM 1244 O PRO B 17 12.262 -5.904 -8.901 1.00 0.00 O ATOM 1245 CB PRO B 17 14.353 -7.365 -8.156 1.00 0.00 C ATOM 1246 CG PRO B 17 15.386 -7.248 -9.233 1.00 0.00 C ATOM 1247 CD PRO B 17 14.817 -7.919 -10.444 1.00 0.00 C ATOM 0 HA PRO B 17 12.573 -8.727 -8.154 1.00 0.00 H new ATOM 0 HB2 PRO B 17 14.054 -6.383 -7.790 1.00 0.00 H new ATOM 0 HB3 PRO B 17 14.738 -7.920 -7.301 1.00 0.00 H new ATOM 0 HG2 PRO B 17 15.613 -6.202 -9.440 1.00 0.00 H new ATOM 0 HG3 PRO B 17 16.319 -7.723 -8.929 1.00 0.00 H new ATOM 0 HD2 PRO B 17 14.339 -7.206 -11.116 1.00 0.00 H new ATOM 0 HD3 PRO B 17 15.585 -8.435 -11.020 1.00 0.00 H new ATOM 1255 N PRO B 18 11.641 -7.310 -10.487 1.00 0.00 N ATOM 1256 CA PRO B 18 10.828 -6.279 -11.145 1.00 0.00 C ATOM 1257 C PRO B 18 9.737 -5.723 -10.209 1.00 0.00 C ATOM 1258 O PRO B 18 9.487 -4.535 -10.235 1.00 0.00 O ATOM 1259 CB PRO B 18 10.330 -6.973 -12.409 1.00 0.00 C ATOM 1260 CG PRO B 18 10.389 -8.429 -12.103 1.00 0.00 C ATOM 1261 CD PRO B 18 11.569 -8.598 -11.186 1.00 0.00 C ATOM 0 HA PRO B 18 11.375 -5.372 -11.403 1.00 0.00 H new ATOM 0 HB2 PRO B 18 9.314 -6.663 -12.654 1.00 0.00 H new ATOM 0 HB3 PRO B 18 10.955 -6.725 -13.267 1.00 0.00 H new ATOM 0 HG2 PRO B 18 9.469 -8.768 -11.626 1.00 0.00 H new ATOM 0 HG3 PRO B 18 10.511 -9.017 -13.013 1.00 0.00 H new ATOM 0 HD2 PRO B 18 11.423 -9.425 -10.491 1.00 0.00 H new ATOM 0 HD3 PRO B 18 12.484 -8.806 -11.741 1.00 0.00 H new ATOM 1269 N PRO B 19 9.167 -6.543 -9.351 1.00 0.00 N ATOM 1270 CA PRO B 19 8.188 -6.001 -8.380 1.00 0.00 C ATOM 1271 C PRO B 19 8.983 -5.201 -7.342 1.00 0.00 C ATOM 1272 O PRO B 19 9.267 -5.674 -6.263 1.00 0.00 O ATOM 1273 CB PRO B 19 7.556 -7.243 -7.759 1.00 0.00 C ATOM 1274 CG PRO B 19 8.581 -8.314 -7.932 1.00 0.00 C ATOM 1275 CD PRO B 19 9.344 -7.994 -9.190 1.00 0.00 C ATOM 0 HA PRO B 19 7.427 -5.347 -8.806 1.00 0.00 H new ATOM 0 HB2 PRO B 19 7.322 -7.084 -6.706 1.00 0.00 H new ATOM 0 HB3 PRO B 19 6.622 -7.504 -8.257 1.00 0.00 H new ATOM 0 HG2 PRO B 19 9.251 -8.349 -7.073 1.00 0.00 H new ATOM 0 HG3 PRO B 19 8.107 -9.293 -8.007 1.00 0.00 H new ATOM 0 HD2 PRO B 19 10.397 -8.260 -9.097 1.00 0.00 H new ATOM 0 HD3 PRO B 19 8.951 -8.542 -10.046 1.00 0.00 H new ATOM 1283 N GLU B 20 9.398 -4.015 -7.707 1.00 0.00 N ATOM 1284 CA GLU B 20 10.244 -3.167 -6.802 1.00 0.00 C ATOM 1285 C GLU B 20 9.606 -2.889 -5.437 1.00 0.00 C ATOM 1286 O GLU B 20 9.523 -1.753 -5.019 1.00 0.00 O ATOM 1287 CB GLU B 20 10.430 -1.847 -7.553 1.00 0.00 C ATOM 1288 CG GLU B 20 9.107 -1.417 -8.193 1.00 0.00 C ATOM 1289 CD GLU B 20 9.257 -1.389 -9.715 1.00 0.00 C ATOM 1290 OE1 GLU B 20 10.314 -0.992 -10.178 1.00 0.00 O ATOM 1291 OE2 GLU B 20 8.315 -1.766 -10.391 1.00 0.00 O ATOM 0 H GLU B 20 9.185 -3.588 -8.608 1.00 0.00 H new ATOM 0 HA GLU B 20 11.176 -3.687 -6.582 1.00 0.00 H new ATOM 0 HB2 GLU B 20 10.779 -1.075 -6.867 1.00 0.00 H new ATOM 0 HB3 GLU B 20 11.195 -1.961 -8.321 1.00 0.00 H new ATOM 0 HG2 GLU B 20 8.313 -2.107 -7.909 1.00 0.00 H new ATOM 0 HG3 GLU B 20 8.818 -0.431 -7.828 1.00 0.00 H new ATOM 1298 N CYS B 21 9.200 -3.886 -4.707 1.00 0.00 N ATOM 1299 CA CYS B 21 8.640 -3.584 -3.351 1.00 0.00 C ATOM 1300 C CYS B 21 9.795 -3.382 -2.365 1.00 0.00 C ATOM 1301 O CYS B 21 9.697 -2.604 -1.438 1.00 0.00 O ATOM 1302 CB CYS B 21 7.702 -4.721 -2.887 1.00 0.00 C ATOM 1303 SG CYS B 21 7.847 -6.218 -3.903 1.00 0.00 S ATOM 0 H CYS B 21 9.227 -4.870 -4.973 1.00 0.00 H new ATOM 0 HA CYS B 21 8.049 -2.669 -3.395 1.00 0.00 H new ATOM 0 HB2 CYS B 21 7.926 -4.969 -1.850 1.00 0.00 H new ATOM 0 HB3 CYS B 21 6.671 -4.368 -2.914 1.00 0.00 H new ATOM 0 HG CYS B 21 8.024 -5.883 -5.146 1.00 0.00 H new ATOM 1309 N ILE B 22 10.898 -4.061 -2.567 1.00 0.00 N ATOM 1310 CA ILE B 22 12.064 -3.883 -1.645 1.00 0.00 C ATOM 1311 C ILE B 22 12.823 -2.623 -2.011 1.00 0.00 C ATOM 1312 O ILE B 22 13.050 -1.758 -1.199 1.00 0.00 O ATOM 1313 CB ILE B 22 12.998 -5.072 -1.876 1.00 0.00 C ATOM 1314 CG1 ILE B 22 12.308 -6.424 -1.649 1.00 0.00 C ATOM 1315 CG2 ILE B 22 14.181 -4.959 -0.923 1.00 0.00 C ATOM 1316 CD1 ILE B 22 10.891 -6.257 -1.081 1.00 0.00 C ATOM 0 H ILE B 22 11.041 -4.727 -3.326 1.00 0.00 H new ATOM 0 HA ILE B 22 11.723 -3.816 -0.612 1.00 0.00 H new ATOM 0 HB ILE B 22 13.318 -5.039 -2.918 1.00 0.00 H new ATOM 0 HG12 ILE B 22 12.259 -6.969 -2.592 1.00 0.00 H new ATOM 0 HG13 ILE B 22 12.905 -7.025 -0.964 1.00 0.00 H new ATOM 0 HG21 ILE B 22 14.855 -5.802 -1.078 1.00 0.00 H new ATOM 0 HG22 ILE B 22 14.714 -4.028 -1.114 1.00 0.00 H new ATOM 0 HG23 ILE B 22 13.821 -4.967 0.106 1.00 0.00 H new ATOM 0 HD11 ILE B 22 10.439 -7.238 -0.936 1.00 0.00 H new ATOM 0 HD12 ILE B 22 10.941 -5.736 -0.125 1.00 0.00 H new ATOM 0 HD13 ILE B 22 10.285 -5.678 -1.778 1.00 0.00 H new ATOM 1328 N ASN B 23 13.250 -2.524 -3.229 1.00 0.00 N ATOM 1329 CA ASN B 23 14.016 -1.313 -3.619 1.00 0.00 C ATOM 1330 C ASN B 23 13.136 -0.077 -3.462 1.00 0.00 C ATOM 1331 O ASN B 23 13.520 0.881 -2.829 1.00 0.00 O ATOM 1332 CB ASN B 23 14.432 -1.514 -5.073 1.00 0.00 C ATOM 1333 CG ASN B 23 13.209 -1.460 -5.979 1.00 0.00 C ATOM 1334 OD1 ASN B 23 12.158 -1.953 -5.623 1.00 0.00 O ATOM 1335 ND2 ASN B 23 13.301 -0.876 -7.144 1.00 0.00 N ATOM 0 H ASN B 23 13.107 -3.216 -3.965 1.00 0.00 H new ATOM 0 HA ASN B 23 14.894 -1.166 -2.990 1.00 0.00 H new ATOM 0 HB2 ASN B 23 15.145 -0.743 -5.365 1.00 0.00 H new ATOM 0 HB3 ASN B 23 14.936 -2.474 -5.186 1.00 0.00 H new ATOM 0 HD21 ASN B 23 12.488 -0.833 -7.758 1.00 0.00 H new ATOM 0 HD22 ASN B 23 14.186 -0.463 -7.439 1.00 0.00 H new ATOM 1342 N ASP B 24 11.937 -0.098 -3.979 1.00 0.00 N ATOM 1343 CA ASP B 24 11.060 1.084 -3.799 1.00 0.00 C ATOM 1344 C ASP B 24 10.873 1.280 -2.310 1.00 0.00 C ATOM 1345 O ASP B 24 10.555 2.351 -1.836 1.00 0.00 O ATOM 1346 CB ASP B 24 9.740 0.721 -4.472 1.00 0.00 C ATOM 1347 CG ASP B 24 8.872 1.974 -4.606 1.00 0.00 C ATOM 1348 OD1 ASP B 24 9.426 3.032 -4.854 1.00 0.00 O ATOM 1349 OD2 ASP B 24 7.666 1.854 -4.459 1.00 0.00 O ATOM 0 H ASP B 24 11.535 -0.871 -4.509 1.00 0.00 H new ATOM 0 HA ASP B 24 11.463 2.002 -4.226 1.00 0.00 H new ATOM 0 HB2 ASP B 24 9.928 0.289 -5.455 1.00 0.00 H new ATOM 0 HB3 ASP B 24 9.217 -0.035 -3.886 1.00 0.00 H new ATOM 1354 N LEU B 25 11.106 0.236 -1.566 1.00 0.00 N ATOM 1355 CA LEU B 25 10.983 0.328 -0.106 1.00 0.00 C ATOM 1356 C LEU B 25 12.267 0.869 0.457 1.00 0.00 C ATOM 1357 O LEU B 25 12.322 1.874 1.138 1.00 0.00 O ATOM 1358 CB LEU B 25 10.809 -1.118 0.382 1.00 0.00 C ATOM 1359 CG LEU B 25 11.478 -1.324 1.769 1.00 0.00 C ATOM 1360 CD1 LEU B 25 10.434 -1.347 2.869 1.00 0.00 C ATOM 1361 CD2 LEU B 25 12.255 -2.634 1.772 1.00 0.00 C ATOM 0 H LEU B 25 11.378 -0.681 -1.921 1.00 0.00 H new ATOM 0 HA LEU B 25 10.158 0.972 0.196 1.00 0.00 H new ATOM 0 HB2 LEU B 25 9.748 -1.358 0.447 1.00 0.00 H new ATOM 0 HB3 LEU B 25 11.247 -1.805 -0.342 1.00 0.00 H new ATOM 0 HG LEU B 25 12.159 -0.493 1.954 1.00 0.00 H new ATOM 0 HD11 LEU B 25 10.923 -1.492 3.832 1.00 0.00 H new ATOM 0 HD12 LEU B 25 9.892 -0.401 2.876 1.00 0.00 H new ATOM 0 HD13 LEU B 25 9.735 -2.164 2.690 1.00 0.00 H new ATOM 0 HD21 LEU B 25 12.724 -2.777 2.746 1.00 0.00 H new ATOM 0 HD22 LEU B 25 11.574 -3.461 1.572 1.00 0.00 H new ATOM 0 HD23 LEU B 25 13.024 -2.603 1.000 1.00 0.00 H new ATOM 1373 N LEU B 26 13.288 0.117 0.227 1.00 0.00 N ATOM 1374 CA LEU B 26 14.588 0.433 0.774 1.00 0.00 C ATOM 1375 C LEU B 26 15.212 1.602 0.034 1.00 0.00 C ATOM 1376 O LEU B 26 16.267 2.091 0.390 1.00 0.00 O ATOM 1377 CB LEU B 26 15.360 -0.854 0.578 1.00 0.00 C ATOM 1378 CG LEU B 26 16.821 -0.578 0.750 1.00 0.00 C ATOM 1379 CD1 LEU B 26 17.061 -0.175 2.192 1.00 0.00 C ATOM 1380 CD2 LEU B 26 17.624 -1.837 0.425 1.00 0.00 C ATOM 0 H LEU B 26 13.260 -0.731 -0.339 1.00 0.00 H new ATOM 0 HA LEU B 26 14.565 0.746 1.818 1.00 0.00 H new ATOM 0 HB2 LEU B 26 15.031 -1.603 1.298 1.00 0.00 H new ATOM 0 HB3 LEU B 26 15.168 -1.260 -0.415 1.00 0.00 H new ATOM 0 HG LEU B 26 17.136 0.221 0.079 1.00 0.00 H new ATOM 0 HD11 LEU B 26 18.121 0.031 2.341 1.00 0.00 H new ATOM 0 HD12 LEU B 26 16.482 0.719 2.421 1.00 0.00 H new ATOM 0 HD13 LEU B 26 16.753 -0.986 2.852 1.00 0.00 H new ATOM 0 HD21 LEU B 26 18.687 -1.633 0.551 1.00 0.00 H new ATOM 0 HD22 LEU B 26 17.327 -2.642 1.097 1.00 0.00 H new ATOM 0 HD23 LEU B 26 17.432 -2.135 -0.606 1.00 0.00 H new ATOM 1392 N GLN B 27 14.539 2.096 -0.959 1.00 0.00 N ATOM 1393 CA GLN B 27 15.060 3.264 -1.676 1.00 0.00 C ATOM 1394 C GLN B 27 14.987 4.450 -0.725 1.00 0.00 C ATOM 1395 O GLN B 27 15.465 5.529 -1.013 1.00 0.00 O ATOM 1396 CB GLN B 27 14.100 3.453 -2.833 1.00 0.00 C ATOM 1397 CG GLN B 27 14.648 2.725 -4.062 1.00 0.00 C ATOM 1398 CD GLN B 27 15.125 3.732 -5.107 1.00 0.00 C ATOM 1399 OE1 GLN B 27 16.081 3.486 -5.816 1.00 0.00 O ATOM 1400 NE2 GLN B 27 14.498 4.864 -5.230 1.00 0.00 N ATOM 0 H GLN B 27 13.648 1.734 -1.300 1.00 0.00 H new ATOM 0 HA GLN B 27 16.088 3.158 -2.023 1.00 0.00 H new ATOM 0 HB2 GLN B 27 13.116 3.063 -2.573 1.00 0.00 H new ATOM 0 HB3 GLN B 27 13.976 4.514 -3.049 1.00 0.00 H new ATOM 0 HG2 GLN B 27 15.473 2.075 -3.770 1.00 0.00 H new ATOM 0 HG3 GLN B 27 13.875 2.086 -4.489 1.00 0.00 H new ATOM 0 HE21 GLN B 27 13.696 5.070 -4.635 1.00 0.00 H new ATOM 0 HE22 GLN B 27 14.808 5.546 -5.922 1.00 0.00 H new ATOM 1409 N ALA B 28 14.354 4.257 0.414 1.00 0.00 N ATOM 1410 CA ALA B 28 14.214 5.368 1.373 1.00 0.00 C ATOM 1411 C ALA B 28 14.708 5.008 2.786 1.00 0.00 C ATOM 1412 O ALA B 28 14.910 5.896 3.590 1.00 0.00 O ATOM 1413 CB ALA B 28 12.717 5.662 1.399 1.00 0.00 C ATOM 0 H ALA B 28 13.935 3.374 0.706 1.00 0.00 H new ATOM 0 HA ALA B 28 14.821 6.221 1.068 1.00 0.00 H new ATOM 0 HB1 ALA B 28 12.519 6.481 2.091 1.00 0.00 H new ATOM 0 HB2 ALA B 28 12.384 5.943 0.400 1.00 0.00 H new ATOM 0 HB3 ALA B 28 12.177 4.773 1.725 1.00 0.00 H new ATOM 1419 N VAL B 29 14.908 3.751 3.146 1.00 0.00 N ATOM 1420 CA VAL B 29 15.378 3.515 4.538 1.00 0.00 C ATOM 1421 C VAL B 29 16.856 3.180 4.546 1.00 0.00 C ATOM 1422 O VAL B 29 17.408 2.830 5.568 1.00 0.00 O ATOM 1423 CB VAL B 29 14.501 2.385 5.118 1.00 0.00 C ATOM 1424 CG1 VAL B 29 14.103 1.395 4.024 1.00 0.00 C ATOM 1425 CG2 VAL B 29 15.260 1.640 6.221 1.00 0.00 C ATOM 0 H VAL B 29 14.772 2.925 2.563 1.00 0.00 H new ATOM 0 HA VAL B 29 15.276 4.405 5.159 1.00 0.00 H new ATOM 0 HB VAL B 29 13.600 2.836 5.535 1.00 0.00 H new ATOM 0 HG11 VAL B 29 13.485 0.607 4.454 1.00 0.00 H new ATOM 0 HG12 VAL B 29 13.540 1.916 3.250 1.00 0.00 H new ATOM 0 HG13 VAL B 29 15.000 0.956 3.587 1.00 0.00 H new ATOM 0 HG21 VAL B 29 14.631 0.845 6.622 1.00 0.00 H new ATOM 0 HG22 VAL B 29 16.171 1.208 5.807 1.00 0.00 H new ATOM 0 HG23 VAL B 29 15.518 2.336 7.019 1.00 0.00 H new ATOM 1435 N ASP B 30 17.518 3.332 3.434 1.00 0.00 N ATOM 1436 CA ASP B 30 18.974 3.058 3.420 1.00 0.00 C ATOM 1437 C ASP B 30 19.237 1.757 4.137 1.00 0.00 C ATOM 1438 O ASP B 30 19.356 1.724 5.347 1.00 0.00 O ATOM 1439 CB ASP B 30 19.564 4.204 4.220 1.00 0.00 C ATOM 1440 CG ASP B 30 19.985 5.335 3.281 1.00 0.00 C ATOM 1441 OD1 ASP B 30 19.602 5.292 2.123 1.00 0.00 O ATOM 1442 OD2 ASP B 30 20.684 6.226 3.735 1.00 0.00 O ATOM 0 H ASP B 30 17.116 3.631 2.545 1.00 0.00 H new ATOM 0 HA ASP B 30 19.390 2.981 2.416 1.00 0.00 H new ATOM 0 HB2 ASP B 30 18.832 4.571 4.939 1.00 0.00 H new ATOM 0 HB3 ASP B 30 20.424 3.855 4.791 1.00 0.00 H new ATOM 1447 N SER B 31 19.285 0.670 3.449 1.00 0.00 N ATOM 1448 CA SER B 31 19.470 -0.574 4.193 1.00 0.00 C ATOM 1449 C SER B 31 19.840 -1.707 3.240 1.00 0.00 C ATOM 1450 O SER B 31 19.096 -2.645 3.044 1.00 0.00 O ATOM 1451 CB SER B 31 18.081 -0.722 4.816 1.00 0.00 C ATOM 1452 OG SER B 31 18.206 -1.131 6.163 1.00 0.00 O ATOM 0 H SER B 31 19.207 0.591 2.435 1.00 0.00 H new ATOM 0 HA SER B 31 20.273 -0.586 4.930 1.00 0.00 H new ATOM 0 HB2 SER B 31 17.544 0.225 4.761 1.00 0.00 H new ATOM 0 HB3 SER B 31 17.496 -1.452 4.257 1.00 0.00 H new ATOM 0 HG SER B 31 18.658 -0.430 6.677 1.00 0.00 H new ATOM 1458 N GLN B 32 20.998 -1.611 2.642 1.00 0.00 N ATOM 1459 CA GLN B 32 21.432 -2.663 1.689 1.00 0.00 C ATOM 1460 C GLN B 32 21.213 -4.040 2.300 1.00 0.00 C ATOM 1461 O GLN B 32 21.090 -5.015 1.603 1.00 0.00 O ATOM 1462 CB GLN B 32 22.920 -2.405 1.457 1.00 0.00 C ATOM 1463 CG GLN B 32 23.280 -2.811 0.028 1.00 0.00 C ATOM 1464 CD GLN B 32 24.145 -1.727 -0.607 1.00 0.00 C ATOM 1465 OE1 GLN B 32 25.191 -1.385 -0.092 1.00 0.00 O ATOM 1466 NE2 GLN B 32 23.749 -1.168 -1.714 1.00 0.00 N ATOM 0 H GLN B 32 21.660 -0.847 2.775 1.00 0.00 H new ATOM 0 HA GLN B 32 20.869 -2.635 0.756 1.00 0.00 H new ATOM 0 HB2 GLN B 32 23.149 -1.351 1.618 1.00 0.00 H new ATOM 0 HB3 GLN B 32 23.516 -2.973 2.171 1.00 0.00 H new ATOM 0 HG2 GLN B 32 23.814 -3.761 0.032 1.00 0.00 H new ATOM 0 HG3 GLN B 32 22.373 -2.958 -0.559 1.00 0.00 H new ATOM 0 HE21 GLN B 32 22.871 -1.456 -2.145 1.00 0.00 H new ATOM 0 HE22 GLN B 32 24.317 -0.442 -2.150 1.00 0.00 H new ATOM 1475 N GLU B 33 21.134 -4.137 3.591 1.00 0.00 N ATOM 1476 CA GLU B 33 20.889 -5.471 4.192 1.00 0.00 C ATOM 1477 C GLU B 33 19.534 -5.981 3.710 1.00 0.00 C ATOM 1478 O GLU B 33 19.315 -7.167 3.568 1.00 0.00 O ATOM 1479 CB GLU B 33 20.876 -5.240 5.697 1.00 0.00 C ATOM 1480 CG GLU B 33 22.235 -4.701 6.147 1.00 0.00 C ATOM 1481 CD GLU B 33 22.923 -5.734 7.041 1.00 0.00 C ATOM 1482 OE1 GLU B 33 22.244 -6.316 7.872 1.00 0.00 O ATOM 1483 OE2 GLU B 33 24.117 -5.926 6.881 1.00 0.00 O ATOM 0 H GLU B 33 21.227 -3.363 4.249 1.00 0.00 H new ATOM 0 HA GLU B 33 21.642 -6.209 3.917 1.00 0.00 H new ATOM 0 HB2 GLU B 33 20.089 -4.533 5.960 1.00 0.00 H new ATOM 0 HB3 GLU B 33 20.654 -6.172 6.216 1.00 0.00 H new ATOM 0 HG2 GLU B 33 22.857 -4.484 5.279 1.00 0.00 H new ATOM 0 HG3 GLU B 33 22.105 -3.764 6.689 1.00 0.00 H new ATOM 1490 N VAL B 34 18.627 -5.081 3.436 1.00 0.00 N ATOM 1491 CA VAL B 34 17.291 -5.500 2.939 1.00 0.00 C ATOM 1492 C VAL B 34 17.404 -5.836 1.447 1.00 0.00 C ATOM 1493 O VAL B 34 16.849 -6.809 0.979 1.00 0.00 O ATOM 1494 CB VAL B 34 16.363 -4.294 3.222 1.00 0.00 C ATOM 1495 CG1 VAL B 34 15.573 -3.901 1.975 1.00 0.00 C ATOM 1496 CG2 VAL B 34 15.371 -4.676 4.322 1.00 0.00 C ATOM 0 H VAL B 34 18.757 -4.074 3.536 1.00 0.00 H new ATOM 0 HA VAL B 34 16.895 -6.393 3.422 1.00 0.00 H new ATOM 0 HB VAL B 34 16.982 -3.451 3.528 1.00 0.00 H new ATOM 0 HG11 VAL B 34 14.930 -3.051 2.204 1.00 0.00 H new ATOM 0 HG12 VAL B 34 16.264 -3.628 1.177 1.00 0.00 H new ATOM 0 HG13 VAL B 34 14.960 -4.743 1.652 1.00 0.00 H new ATOM 0 HG21 VAL B 34 14.713 -3.832 4.528 1.00 0.00 H new ATOM 0 HG22 VAL B 34 14.776 -5.529 3.995 1.00 0.00 H new ATOM 0 HG23 VAL B 34 15.916 -4.940 5.228 1.00 0.00 H new ATOM 1506 N ARG B 35 18.153 -5.068 0.707 1.00 0.00 N ATOM 1507 CA ARG B 35 18.333 -5.378 -0.732 1.00 0.00 C ATOM 1508 C ARG B 35 19.342 -6.517 -0.846 1.00 0.00 C ATOM 1509 O ARG B 35 19.133 -7.487 -1.546 1.00 0.00 O ATOM 1510 CB ARG B 35 18.903 -4.110 -1.325 1.00 0.00 C ATOM 1511 CG ARG B 35 17.928 -3.516 -2.338 1.00 0.00 C ATOM 1512 CD ARG B 35 18.727 -2.958 -3.506 1.00 0.00 C ATOM 1513 NE ARG B 35 17.714 -2.555 -4.519 1.00 0.00 N ATOM 1514 CZ ARG B 35 17.562 -1.295 -4.823 1.00 0.00 C ATOM 1515 NH1 ARG B 35 17.459 -0.405 -3.876 1.00 0.00 N ATOM 1516 NH2 ARG B 35 17.518 -0.925 -6.074 1.00 0.00 N ATOM 0 H ARG B 35 18.647 -4.240 1.039 1.00 0.00 H new ATOM 0 HA ARG B 35 17.415 -5.680 -1.236 1.00 0.00 H new ATOM 0 HB2 ARG B 35 19.101 -3.387 -0.534 1.00 0.00 H new ATOM 0 HB3 ARG B 35 19.856 -4.323 -1.809 1.00 0.00 H new ATOM 0 HG2 ARG B 35 17.231 -4.279 -2.686 1.00 0.00 H new ATOM 0 HG3 ARG B 35 17.333 -2.728 -1.875 1.00 0.00 H new ATOM 0 HD2 ARG B 35 19.334 -2.107 -3.196 1.00 0.00 H new ATOM 0 HD3 ARG B 35 19.410 -3.706 -3.909 1.00 0.00 H new ATOM 0 HE ARG B 35 17.139 -3.263 -4.975 1.00 0.00 H new ATOM 0 HH11 ARG B 35 17.497 -0.694 -2.898 1.00 0.00 H new ATOM 0 HH12 ARG B 35 17.340 0.580 -4.113 1.00 0.00 H new ATOM 0 HH21 ARG B 35 17.602 -1.621 -6.815 1.00 0.00 H new ATOM 0 HH22 ARG B 35 17.399 0.060 -6.311 1.00 0.00 H new ATOM 1530 N ASP B 36 20.420 -6.420 -0.112 1.00 0.00 N ATOM 1531 CA ASP B 36 21.423 -7.512 -0.121 1.00 0.00 C ATOM 1532 C ASP B 36 20.674 -8.777 0.243 1.00 0.00 C ATOM 1533 O ASP B 36 21.000 -9.874 -0.163 1.00 0.00 O ATOM 1534 CB ASP B 36 22.437 -7.152 0.970 1.00 0.00 C ATOM 1535 CG ASP B 36 23.695 -8.008 0.802 1.00 0.00 C ATOM 1536 OD1 ASP B 36 24.447 -7.746 -0.121 1.00 0.00 O ATOM 1537 OD2 ASP B 36 23.883 -8.911 1.601 1.00 0.00 O ATOM 0 H ASP B 36 20.644 -5.629 0.492 1.00 0.00 H new ATOM 0 HA ASP B 36 21.930 -7.648 -1.076 1.00 0.00 H new ATOM 0 HB2 ASP B 36 22.693 -6.094 0.908 1.00 0.00 H new ATOM 0 HB3 ASP B 36 22.001 -7.317 1.955 1.00 0.00 H new ATOM 1542 N TYR B 37 19.624 -8.585 0.985 1.00 0.00 N ATOM 1543 CA TYR B 37 18.755 -9.687 1.388 1.00 0.00 C ATOM 1544 C TYR B 37 17.852 -10.004 0.202 1.00 0.00 C ATOM 1545 O TYR B 37 17.769 -11.119 -0.262 1.00 0.00 O ATOM 1546 CB TYR B 37 17.963 -9.109 2.559 1.00 0.00 C ATOM 1547 CG TYR B 37 16.648 -9.816 2.643 1.00 0.00 C ATOM 1548 CD1 TYR B 37 15.619 -9.427 1.790 1.00 0.00 C ATOM 1549 CD2 TYR B 37 16.482 -10.895 3.512 1.00 0.00 C ATOM 1550 CE1 TYR B 37 14.418 -10.114 1.793 1.00 0.00 C ATOM 1551 CE2 TYR B 37 15.267 -11.583 3.532 1.00 0.00 C ATOM 1552 CZ TYR B 37 14.236 -11.198 2.670 1.00 0.00 C ATOM 1553 OH TYR B 37 13.047 -11.899 2.675 1.00 0.00 O ATOM 0 H TYR B 37 19.334 -7.672 1.334 1.00 0.00 H new ATOM 0 HA TYR B 37 19.267 -10.606 1.674 1.00 0.00 H new ATOM 0 HB2 TYR B 37 18.519 -9.232 3.489 1.00 0.00 H new ATOM 0 HB3 TYR B 37 17.809 -8.039 2.420 1.00 0.00 H new ATOM 0 HD1 TYR B 37 15.758 -8.588 1.125 1.00 0.00 H new ATOM 0 HD2 TYR B 37 17.288 -11.196 4.165 1.00 0.00 H new ATOM 0 HE1 TYR B 37 13.623 -9.819 1.124 1.00 0.00 H new ATOM 0 HE2 TYR B 37 15.124 -12.410 4.212 1.00 0.00 H new ATOM 0 HH TYR B 37 12.581 -11.746 3.523 1.00 0.00 H new ATOM 1563 N CYS B 38 17.202 -9.002 -0.306 1.00 0.00 N ATOM 1564 CA CYS B 38 16.311 -9.188 -1.470 1.00 0.00 C ATOM 1565 C CYS B 38 17.058 -9.945 -2.570 1.00 0.00 C ATOM 1566 O CYS B 38 16.580 -10.930 -3.091 1.00 0.00 O ATOM 1567 CB CYS B 38 15.969 -7.762 -1.882 1.00 0.00 C ATOM 1568 SG CYS B 38 14.590 -7.756 -3.041 1.00 0.00 S ATOM 0 H CYS B 38 17.253 -8.046 0.045 1.00 0.00 H new ATOM 0 HA CYS B 38 15.416 -9.774 -1.262 1.00 0.00 H new ATOM 0 HB2 CYS B 38 15.714 -7.173 -1.001 1.00 0.00 H new ATOM 0 HB3 CYS B 38 16.839 -7.290 -2.339 1.00 0.00 H new ATOM 0 HG CYS B 38 14.224 -8.979 -3.287 1.00 0.00 H new ATOM 1574 N GLU B 39 18.243 -9.521 -2.901 1.00 0.00 N ATOM 1575 CA GLU B 39 19.019 -10.258 -3.927 1.00 0.00 C ATOM 1576 C GLU B 39 19.538 -11.544 -3.293 1.00 0.00 C ATOM 1577 O GLU B 39 20.005 -12.437 -3.971 1.00 0.00 O ATOM 1578 CB GLU B 39 20.175 -9.333 -4.296 1.00 0.00 C ATOM 1579 CG GLU B 39 20.895 -8.922 -3.014 1.00 0.00 C ATOM 1580 CD GLU B 39 22.338 -9.433 -3.046 1.00 0.00 C ATOM 1581 OE1 GLU B 39 22.517 -10.640 -3.088 1.00 0.00 O ATOM 1582 OE2 GLU B 39 23.237 -8.610 -3.027 1.00 0.00 O ATOM 0 H GLU B 39 18.704 -8.701 -2.507 1.00 0.00 H new ATOM 0 HA GLU B 39 18.434 -10.523 -4.808 1.00 0.00 H new ATOM 0 HB2 GLU B 39 20.864 -9.839 -4.972 1.00 0.00 H new ATOM 0 HB3 GLU B 39 19.803 -8.453 -4.820 1.00 0.00 H new ATOM 0 HG2 GLU B 39 20.886 -7.837 -2.912 1.00 0.00 H new ATOM 0 HG3 GLU B 39 20.374 -9.328 -2.147 1.00 0.00 H new ATOM 1589 N LYS B 40 19.407 -11.670 -1.994 1.00 0.00 N ATOM 1590 CA LYS B 40 19.835 -12.926 -1.345 1.00 0.00 C ATOM 1591 C LYS B 40 18.650 -13.849 -1.443 1.00 0.00 C ATOM 1592 O LYS B 40 18.757 -15.054 -1.559 1.00 0.00 O ATOM 1593 CB LYS B 40 20.113 -12.604 0.123 1.00 0.00 C ATOM 1594 CG LYS B 40 20.403 -13.908 0.870 1.00 0.00 C ATOM 1595 CD LYS B 40 20.976 -13.584 2.249 1.00 0.00 C ATOM 1596 CE LYS B 40 20.309 -14.474 3.301 1.00 0.00 C ATOM 1597 NZ LYS B 40 20.686 -13.872 4.610 1.00 0.00 N ATOM 0 H LYS B 40 19.025 -10.960 -1.370 1.00 0.00 H new ATOM 0 HA LYS B 40 20.722 -13.370 -1.797 1.00 0.00 H new ATOM 0 HB2 LYS B 40 20.962 -11.925 0.206 1.00 0.00 H new ATOM 0 HB3 LYS B 40 19.256 -12.098 0.567 1.00 0.00 H new ATOM 0 HG2 LYS B 40 19.489 -14.493 0.972 1.00 0.00 H new ATOM 0 HG3 LYS B 40 21.109 -14.515 0.304 1.00 0.00 H new ATOM 0 HD2 LYS B 40 22.054 -13.743 2.253 1.00 0.00 H new ATOM 0 HD3 LYS B 40 20.808 -12.534 2.487 1.00 0.00 H new ATOM 0 HE2 LYS B 40 19.227 -14.494 3.173 1.00 0.00 H new ATOM 0 HE3 LYS B 40 20.658 -15.504 3.225 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 20.265 -14.428 5.382 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 21.721 -13.873 4.707 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 20.335 -12.894 4.656 1.00 0.00 H new ATOM 1611 N LYS B 41 17.505 -13.240 -1.415 1.00 0.00 N ATOM 1612 CA LYS B 41 16.246 -13.977 -1.521 1.00 0.00 C ATOM 1613 C LYS B 41 16.129 -14.486 -2.928 1.00 0.00 C ATOM 1614 O LYS B 41 16.031 -15.665 -3.205 1.00 0.00 O ATOM 1615 CB LYS B 41 15.183 -12.920 -1.340 1.00 0.00 C ATOM 1616 CG LYS B 41 15.323 -12.148 -0.048 1.00 0.00 C ATOM 1617 CD LYS B 41 16.087 -12.954 0.987 1.00 0.00 C ATOM 1618 CE LYS B 41 15.134 -13.945 1.643 1.00 0.00 C ATOM 1619 NZ LYS B 41 16.010 -14.929 2.338 1.00 0.00 N ATOM 0 H LYS B 41 17.397 -12.230 -1.320 1.00 0.00 H new ATOM 0 HA LYS B 41 16.171 -14.801 -0.811 1.00 0.00 H new ATOM 0 HB2 LYS B 41 15.226 -12.224 -2.178 1.00 0.00 H new ATOM 0 HB3 LYS B 41 14.201 -13.393 -1.368 1.00 0.00 H new ATOM 0 HG2 LYS B 41 15.841 -11.207 -0.236 1.00 0.00 H new ATOM 0 HG3 LYS B 41 14.335 -11.896 0.338 1.00 0.00 H new ATOM 0 HD2 LYS B 41 16.916 -13.483 0.516 1.00 0.00 H new ATOM 0 HD3 LYS B 41 16.517 -12.292 1.738 1.00 0.00 H new ATOM 0 HE2 LYS B 41 14.469 -13.445 2.347 1.00 0.00 H new ATOM 0 HE3 LYS B 41 14.503 -14.435 0.901 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 15.422 -15.643 2.813 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 16.627 -15.396 1.643 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 16.594 -14.436 3.044 1.00 0.00 H new ATOM 1633 N GLY B 42 16.173 -13.548 -3.821 1.00 0.00 N ATOM 1634 CA GLY B 42 16.103 -13.870 -5.249 1.00 0.00 C ATOM 1635 C GLY B 42 15.218 -12.895 -6.026 1.00 0.00 C ATOM 1636 O GLY B 42 14.309 -13.281 -6.726 1.00 0.00 O ATOM 0 H GLY B 42 16.256 -12.554 -3.609 1.00 0.00 H new ATOM 0 HA2 GLY B 42 17.108 -13.858 -5.671 1.00 0.00 H new ATOM 0 HA3 GLY B 42 15.718 -14.882 -5.372 1.00 0.00 H new ATOM 1640 N TRP B 43 15.534 -11.639 -5.957 1.00 0.00 N ATOM 1641 CA TRP B 43 14.786 -10.632 -6.762 1.00 0.00 C ATOM 1642 C TRP B 43 15.843 -9.928 -7.508 1.00 0.00 C ATOM 1643 O TRP B 43 15.836 -9.759 -8.711 1.00 0.00 O ATOM 1644 CB TRP B 43 14.135 -9.560 -5.898 1.00 0.00 C ATOM 1645 CG TRP B 43 13.590 -10.066 -4.620 1.00 0.00 C ATOM 1646 CD1 TRP B 43 14.110 -11.065 -3.910 1.00 0.00 C ATOM 1647 CD2 TRP B 43 12.462 -9.567 -3.837 1.00 0.00 C ATOM 1648 NE1 TRP B 43 13.390 -11.231 -2.794 1.00 0.00 N ATOM 1649 CE2 TRP B 43 12.382 -10.342 -2.673 1.00 0.00 C ATOM 1650 CE3 TRP B 43 11.516 -8.543 -4.009 1.00 0.00 C ATOM 1651 CZ2 TRP B 43 11.434 -10.134 -1.699 1.00 0.00 C ATOM 1652 CZ3 TRP B 43 10.540 -8.318 -3.028 1.00 0.00 C ATOM 1653 CH2 TRP B 43 10.502 -9.109 -1.865 1.00 0.00 C ATOM 0 H TRP B 43 16.282 -11.260 -5.376 1.00 0.00 H new ATOM 0 HA TRP B 43 14.012 -11.127 -7.349 1.00 0.00 H new ATOM 0 HB2 TRP B 43 14.870 -8.783 -5.686 1.00 0.00 H new ATOM 0 HB3 TRP B 43 13.330 -9.091 -6.464 1.00 0.00 H new ATOM 0 HD1 TRP B 43 14.975 -11.648 -4.190 1.00 0.00 H new ATOM 0 HE1 TRP B 43 13.584 -11.957 -2.104 1.00 0.00 H new ATOM 0 HE3 TRP B 43 11.541 -7.929 -4.897 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 11.411 -10.756 -0.817 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 9.812 -7.532 -3.166 1.00 0.00 H new ATOM 0 HH2 TRP B 43 9.756 -8.924 -1.106 1.00 0.00 H new ATOM 1664 N ILE B 44 16.797 -9.571 -6.718 1.00 0.00 N ATOM 1665 CA ILE B 44 18.014 -8.898 -7.169 1.00 0.00 C ATOM 1666 C ILE B 44 17.808 -7.406 -7.288 1.00 0.00 C ATOM 1667 O ILE B 44 18.588 -6.700 -7.897 1.00 0.00 O ATOM 1668 CB ILE B 44 18.367 -9.477 -8.514 1.00 0.00 C ATOM 1669 CG1 ILE B 44 18.178 -10.989 -8.499 1.00 0.00 C ATOM 1670 CG2 ILE B 44 19.830 -9.144 -8.795 1.00 0.00 C ATOM 1671 CD1 ILE B 44 17.605 -11.432 -9.842 1.00 0.00 C ATOM 0 H ILE B 44 16.773 -9.733 -5.711 1.00 0.00 H new ATOM 0 HA ILE B 44 18.815 -9.054 -6.446 1.00 0.00 H new ATOM 0 HB ILE B 44 17.722 -9.058 -9.286 1.00 0.00 H new ATOM 0 HG12 ILE B 44 19.131 -11.486 -8.314 1.00 0.00 H new ATOM 0 HG13 ILE B 44 17.506 -11.276 -7.690 1.00 0.00 H new ATOM 0 HG21 ILE B 44 20.116 -9.551 -9.765 1.00 0.00 H new ATOM 0 HG22 ILE B 44 19.962 -8.062 -8.803 1.00 0.00 H new ATOM 0 HG23 ILE B 44 20.458 -9.581 -8.019 1.00 0.00 H new ATOM 0 HD11 ILE B 44 17.467 -12.513 -9.840 1.00 0.00 H new ATOM 0 HD12 ILE B 44 16.645 -10.944 -10.007 1.00 0.00 H new ATOM 0 HD13 ILE B 44 18.294 -11.156 -10.640 1.00 0.00 H new ATOM 1683 N VAL B 45 16.752 -6.947 -6.724 1.00 0.00 N ATOM 1684 CA VAL B 45 16.414 -5.501 -6.773 1.00 0.00 C ATOM 1685 C VAL B 45 17.681 -4.635 -6.839 1.00 0.00 C ATOM 1686 O VAL B 45 18.370 -4.450 -5.857 1.00 0.00 O ATOM 1687 CB VAL B 45 15.664 -5.258 -5.471 1.00 0.00 C ATOM 1688 CG1 VAL B 45 14.277 -5.904 -5.538 1.00 0.00 C ATOM 1689 CG2 VAL B 45 16.455 -5.852 -4.302 1.00 0.00 C ATOM 0 H VAL B 45 16.082 -7.521 -6.213 1.00 0.00 H new ATOM 0 HA VAL B 45 15.830 -5.240 -7.656 1.00 0.00 H new ATOM 0 HB VAL B 45 15.549 -4.185 -5.321 1.00 0.00 H new ATOM 0 HG11 VAL B 45 13.747 -5.726 -4.602 1.00 0.00 H new ATOM 0 HG12 VAL B 45 13.713 -5.470 -6.363 1.00 0.00 H new ATOM 0 HG13 VAL B 45 14.383 -6.977 -5.696 1.00 0.00 H new ATOM 0 HG21 VAL B 45 15.916 -5.676 -3.371 1.00 0.00 H new ATOM 0 HG22 VAL B 45 16.578 -6.924 -4.453 1.00 0.00 H new ATOM 0 HG23 VAL B 45 17.435 -5.378 -4.248 1.00 0.00 H new