USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 480 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 SER OG : rot 64:sc= 0.285 USER MOD Set 1.2: B 31 SER OG : rot -149:sc= 0.307 USER MOD Set 2.1: A 21 CYS SG : rot -44:sc= -5.4! USER MOD Set 2.2: B 21 CYS SG : rot -38:sc= -5.47! USER MOD Single : A 15 THR OG1 : rot -36:sc= 0.704 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -10.2! C(o=-10!,f=-30!) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.356 F(o=-1.5!,f=-0.36) USER MOD Single : A 32 GLN : amide:sc= -0.44 X(o=-0.44,f=-0.03) USER MOD Single : A 37 TYR OH : rot -119:sc= -1.58! USER MOD Single : A 38 CYS SG : rot 6:sc= -13.3! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.469 K(o=-0.47,f=-2.1!) USER MOD Single : B 15 THR OG1 : rot -35:sc= 0.552 USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 23 ASN : amide:sc= -10.3! C(o=-10!,f=-31!) USER MOD Single : B 27 GLN :FLIP amide:sc= -0.211 F(o=-1.3!,f=-0.21) USER MOD Single : B 32 GLN : amide:sc= -0.43 X(o=-0.43,f=-0.032) USER MOD Single : B 37 TYR OH : rot -113:sc= -1.55! USER MOD Single : B 38 CYS SG : rot 5:sc= -13.8! 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 -3.657 1.564 1.701 1.00 0.00 N ATOM 246 CA THR A 15 -2.722 0.985 2.708 1.00 0.00 C ATOM 247 C THR A 15 -2.702 -0.545 2.592 1.00 0.00 C ATOM 248 O THR A 15 -3.681 -1.203 2.883 1.00 0.00 O ATOM 249 CB THR A 15 -3.292 1.415 4.058 1.00 0.00 C ATOM 250 OG1 THR A 15 -4.707 1.279 4.042 1.00 0.00 O ATOM 251 CG2 THR A 15 -2.919 2.874 4.328 1.00 0.00 C ATOM 0 HA THR A 15 -1.696 1.325 2.570 1.00 0.00 H new ATOM 0 HB THR A 15 -2.878 0.784 4.845 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.048 1.510 3.153 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.326 3.181 5.291 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.834 2.975 4.343 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.331 3.506 3.542 1.00 0.00 H new ATOM 259 N SER A 16 -1.602 -1.120 2.163 1.00 0.00 N ATOM 260 CA SER A 16 -1.543 -2.608 2.037 1.00 0.00 C ATOM 261 C SER A 16 -1.736 -3.244 3.449 1.00 0.00 C ATOM 262 O SER A 16 -2.748 -2.944 4.052 1.00 0.00 O ATOM 263 CB SER A 16 -0.205 -2.890 1.346 1.00 0.00 C ATOM 264 OG SER A 16 -0.174 -2.194 0.107 1.00 0.00 O ATOM 0 H SER A 16 -0.750 -0.626 1.897 1.00 0.00 H new ATOM 0 HA SER A 16 -2.334 -3.058 1.438 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.622 -2.570 1.980 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.084 -3.961 1.181 1.00 0.00 H new ATOM 0 HG SER A 16 0.679 -2.366 -0.344 1.00 0.00 H new ATOM 270 N PRO A 17 -0.862 -4.098 4.003 1.00 0.00 N ATOM 271 CA PRO A 17 0.417 -4.609 3.479 1.00 0.00 C ATOM 272 C PRO A 17 0.286 -6.092 3.150 1.00 0.00 C ATOM 273 O PRO A 17 1.167 -6.863 3.473 1.00 0.00 O ATOM 274 CB PRO A 17 1.296 -4.519 4.721 1.00 0.00 C ATOM 275 CG PRO A 17 0.349 -4.601 5.879 1.00 0.00 C ATOM 276 CD PRO A 17 -1.025 -4.698 5.299 1.00 0.00 C ATOM 0 HA PRO A 17 0.768 -4.082 2.592 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.023 -5.331 4.749 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.859 -3.586 4.738 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.570 -5.469 6.500 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.439 -3.722 6.517 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.363 -5.732 5.227 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -1.759 -4.164 5.903 1.00 0.00 H new ATOM 284 N PRO A 18 -0.813 -6.474 2.570 1.00 0.00 N ATOM 285 CA PRO A 18 -1.018 -7.901 2.287 1.00 0.00 C ATOM 286 C PRO A 18 0.052 -8.462 1.330 1.00 0.00 C ATOM 287 O PRO A 18 0.387 -9.626 1.438 1.00 0.00 O ATOM 288 CB PRO A 18 -2.448 -7.955 1.760 1.00 0.00 C ATOM 289 CG PRO A 18 -2.719 -6.592 1.234 1.00 0.00 C ATOM 290 CD PRO A 18 -1.945 -5.656 2.120 1.00 0.00 C ATOM 0 HA PRO A 18 -0.901 -8.545 3.159 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.552 -8.707 0.978 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.150 -8.219 2.551 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -2.400 -6.502 0.195 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.785 -6.366 1.261 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.611 -4.772 1.577 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -2.547 -5.306 2.959 1.00 0.00 H new ATOM 298 N PRO A 19 0.626 -7.640 0.474 1.00 0.00 N ATOM 299 CA PRO A 19 1.713 -8.143 -0.382 1.00 0.00 C ATOM 300 C PRO A 19 2.997 -8.073 0.452 1.00 0.00 C ATOM 301 O PRO A 19 3.800 -7.175 0.311 1.00 0.00 O ATOM 302 CB PRO A 19 1.739 -7.174 -1.557 1.00 0.00 C ATOM 303 CG PRO A 19 1.139 -5.901 -1.042 1.00 0.00 C ATOM 304 CD PRO A 19 0.346 -6.221 0.208 1.00 0.00 C ATOM 0 HA PRO A 19 1.596 -9.167 -0.736 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.758 -7.013 -1.910 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.168 -7.564 -2.400 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.921 -5.175 -0.820 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.493 -5.453 -1.797 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.654 -5.593 1.044 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.720 -6.049 0.056 1.00 0.00 H new ATOM 312 N GLU A 20 3.134 -8.995 1.371 1.00 0.00 N ATOM 313 CA GLU A 20 4.302 -9.010 2.312 1.00 0.00 C ATOM 314 C GLU A 20 5.664 -9.026 1.610 1.00 0.00 C ATOM 315 O GLU A 20 6.494 -9.861 1.899 1.00 0.00 O ATOM 316 CB GLU A 20 4.128 -10.297 3.120 1.00 0.00 C ATOM 317 CG GLU A 20 3.737 -11.448 2.189 1.00 0.00 C ATOM 318 CD GLU A 20 4.730 -12.599 2.358 1.00 0.00 C ATOM 319 OE1 GLU A 20 5.037 -12.929 3.492 1.00 0.00 O ATOM 320 OE2 GLU A 20 5.168 -13.130 1.351 1.00 0.00 O ATOM 0 H GLU A 20 2.471 -9.757 1.514 1.00 0.00 H new ATOM 0 HA GLU A 20 4.306 -8.101 2.914 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.055 -10.538 3.641 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.361 -10.157 3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.727 -11.788 2.418 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.732 -11.107 1.154 1.00 0.00 H new ATOM 327 N CYS A 21 5.940 -8.098 0.744 1.00 0.00 N ATOM 328 CA CYS A 21 7.303 -8.098 0.125 1.00 0.00 C ATOM 329 C CYS A 21 8.285 -7.441 1.102 1.00 0.00 C ATOM 330 O CYS A 21 9.446 -7.791 1.153 1.00 0.00 O ATOM 331 CB CYS A 21 7.273 -7.360 -1.239 1.00 0.00 C ATOM 332 SG CYS A 21 5.731 -6.442 -1.514 1.00 0.00 S ATOM 0 H CYS A 21 5.308 -7.357 0.440 1.00 0.00 H new ATOM 0 HA CYS A 21 7.630 -9.120 -0.069 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.115 -6.670 -1.291 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.406 -8.086 -2.042 1.00 0.00 H new ATOM 0 HG CYS A 21 4.719 -7.180 -1.166 1.00 0.00 H new ATOM 338 N ILE A 22 7.821 -6.501 1.893 1.00 0.00 N ATOM 339 CA ILE A 22 8.726 -5.837 2.885 1.00 0.00 C ATOM 340 C ILE A 22 8.894 -6.712 4.113 1.00 0.00 C ATOM 341 O ILE A 22 9.985 -7.024 4.525 1.00 0.00 O ATOM 342 CB ILE A 22 8.027 -4.550 3.327 1.00 0.00 C ATOM 343 CG1 ILE A 22 7.694 -3.621 2.154 1.00 0.00 C ATOM 344 CG2 ILE A 22 8.929 -3.805 4.304 1.00 0.00 C ATOM 345 CD1 ILE A 22 8.302 -4.121 0.835 1.00 0.00 C ATOM 0 H ILE A 22 6.858 -6.166 1.894 1.00 0.00 H new ATOM 0 HA ILE A 22 9.703 -5.653 2.437 1.00 0.00 H new ATOM 0 HB ILE A 22 7.085 -4.837 3.795 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.612 -3.544 2.048 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.066 -2.619 2.368 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.438 -2.886 4.624 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.123 -4.434 5.173 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.872 -3.561 3.815 1.00 0.00 H new ATOM 0 HD11 ILE A 22 8.041 -3.433 0.030 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.387 -4.173 0.931 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.910 -5.112 0.606 1.00 0.00 H new ATOM 357 N ASN A 23 7.818 -7.085 4.730 1.00 0.00 N ATOM 358 CA ASN A 23 7.955 -7.920 5.950 1.00 0.00 C ATOM 359 C ASN A 23 8.572 -9.266 5.585 1.00 0.00 C ATOM 360 O ASN A 23 9.549 -9.678 6.171 1.00 0.00 O ATOM 361 CB ASN A 23 6.552 -8.091 6.522 1.00 0.00 C ATOM 362 CG ASN A 23 5.682 -8.889 5.561 1.00 0.00 C ATOM 363 OD1 ASN A 23 5.791 -8.741 4.363 1.00 0.00 O ATOM 364 ND2 ASN A 23 4.816 -9.736 6.046 1.00 0.00 N ATOM 0 H ASN A 23 6.864 -6.855 4.452 1.00 0.00 H new ATOM 0 HA ASN A 23 8.609 -7.455 6.688 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.604 -8.600 7.484 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.104 -7.114 6.702 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.225 -10.279 5.416 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.730 -9.855 7.055 1.00 0.00 H new ATOM 371 N ASP A 24 8.059 -9.935 4.586 1.00 0.00 N ATOM 372 CA ASP A 24 8.681 -11.222 4.193 1.00 0.00 C ATOM 373 C ASP A 24 10.132 -10.929 3.870 1.00 0.00 C ATOM 374 O ASP A 24 10.991 -11.787 3.914 1.00 0.00 O ATOM 375 CB ASP A 24 7.932 -11.683 2.946 1.00 0.00 C ATOM 376 CG ASP A 24 8.243 -13.156 2.679 1.00 0.00 C ATOM 377 OD1 ASP A 24 9.402 -13.523 2.778 1.00 0.00 O ATOM 378 OD2 ASP A 24 7.317 -13.892 2.381 1.00 0.00 O ATOM 0 H ASP A 24 7.249 -9.648 4.036 1.00 0.00 H new ATOM 0 HA ASP A 24 8.633 -11.989 4.966 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.859 -11.546 3.082 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.225 -11.077 2.088 1.00 0.00 H new ATOM 383 N LEU A 25 10.405 -9.691 3.568 1.00 0.00 N ATOM 384 CA LEU A 25 11.783 -9.289 3.265 1.00 0.00 C ATOM 385 C LEU A 25 12.502 -8.999 4.553 1.00 0.00 C ATOM 386 O LEU A 25 13.510 -9.583 4.900 1.00 0.00 O ATOM 387 CB LEU A 25 11.663 -7.983 2.471 1.00 0.00 C ATOM 388 CG LEU A 25 12.865 -7.046 2.761 1.00 0.00 C ATOM 389 CD1 LEU A 25 13.847 -7.071 1.606 1.00 0.00 C ATOM 390 CD2 LEU A 25 12.366 -5.624 2.986 1.00 0.00 C ATOM 0 H LEU A 25 9.716 -8.940 3.521 1.00 0.00 H new ATOM 0 HA LEU A 25 12.324 -10.062 2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.618 -8.204 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.732 -7.479 2.731 1.00 0.00 H new ATOM 0 HG LEU A 25 13.374 -7.397 3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.684 -6.408 1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.216 -8.087 1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 25 13.348 -6.736 0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.213 -4.969 3.189 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.844 -5.276 2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.683 -5.608 3.835 1.00 0.00 H new ATOM 402 N LEU A 26 11.998 -8.013 5.211 1.00 0.00 N ATOM 403 CA LEU A 26 12.610 -7.531 6.428 1.00 0.00 C ATOM 404 C LEU A 26 12.409 -8.522 7.562 1.00 0.00 C ATOM 405 O LEU A 26 12.939 -8.362 8.645 1.00 0.00 O ATOM 406 CB LEU A 26 11.901 -6.216 6.668 1.00 0.00 C ATOM 407 CG LEU A 26 12.157 -5.782 8.075 1.00 0.00 C ATOM 408 CD1 LEU A 26 13.644 -5.527 8.225 1.00 0.00 C ATOM 409 CD2 LEU A 26 11.376 -4.500 8.362 1.00 0.00 C ATOM 0 H LEU A 26 11.154 -7.511 4.933 1.00 0.00 H new ATOM 0 HA LEU A 26 13.691 -7.408 6.362 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.259 -5.461 5.969 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.830 -6.327 6.496 1.00 0.00 H new ATOM 0 HG LEU A 26 11.837 -6.551 8.778 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.857 -5.208 9.245 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.194 -6.443 8.008 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.951 -4.746 7.529 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.562 -4.183 9.388 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.698 -3.717 7.676 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.310 -4.685 8.227 1.00 0.00 H new ATOM 421 N GLN A 27 11.695 -9.576 7.306 1.00 0.00 N ATOM 422 CA GLN A 27 11.515 -10.603 8.338 1.00 0.00 C ATOM 423 C GLN A 27 12.856 -11.307 8.518 1.00 0.00 C ATOM 424 O GLN A 27 13.027 -12.142 9.383 1.00 0.00 O ATOM 425 CB GLN A 27 10.493 -11.552 7.744 1.00 0.00 C ATOM 426 CG GLN A 27 9.093 -11.114 8.173 1.00 0.00 C ATOM 427 CD GLN A 27 8.496 -12.126 9.153 1.00 0.00 C ATOM 428 OE1 GLN A 27 8.811 -13.383 9.043 1.00 0.00 O flip ATOM 429 NE2 GLN A 27 7.732 -11.764 10.025 1.00 0.00 N flip ATOM 0 H GLN A 27 11.229 -9.764 6.418 1.00 0.00 H new ATOM 0 HA GLN A 27 11.191 -10.219 9.305 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.569 -11.554 6.657 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.687 -12.571 8.079 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.140 -10.130 8.639 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.449 -11.022 7.298 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.486 -10.778 10.110 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.337 -12.446 10.672 1.00 0.00 H new ATOM 438 N ALA A 28 13.809 -10.987 7.669 1.00 0.00 N ATOM 439 CA ALA A 28 15.125 -11.650 7.758 1.00 0.00 C ATOM 440 C ALA A 28 16.292 -10.648 7.805 1.00 0.00 C ATOM 441 O ALA A 28 17.404 -11.036 8.104 1.00 0.00 O ATOM 442 CB ALA A 28 15.211 -12.491 6.487 1.00 0.00 C ATOM 0 H ALA A 28 13.719 -10.295 6.925 1.00 0.00 H new ATOM 0 HA ALA A 28 15.207 -12.234 8.675 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.162 -13.023 6.466 1.00 0.00 H new ATOM 0 HB2 ALA A 28 14.392 -13.210 6.471 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.140 -11.841 5.615 1.00 0.00 H new ATOM 448 N VAL A 29 16.101 -9.375 7.516 1.00 0.00 N ATOM 449 CA VAL A 29 17.284 -8.477 7.576 1.00 0.00 C ATOM 450 C VAL A 29 17.197 -7.568 8.785 1.00 0.00 C ATOM 451 O VAL A 29 17.984 -6.660 8.944 1.00 0.00 O ATOM 452 CB VAL A 29 17.312 -7.706 6.241 1.00 0.00 C ATOM 453 CG1 VAL A 29 15.895 -7.461 5.727 1.00 0.00 C ATOM 454 CG2 VAL A 29 18.022 -6.360 6.421 1.00 0.00 C ATOM 0 H VAL A 29 15.215 -8.943 7.254 1.00 0.00 H new ATOM 0 HA VAL A 29 18.215 -9.030 7.697 1.00 0.00 H new ATOM 0 HB VAL A 29 17.854 -8.311 5.515 1.00 0.00 H new ATOM 0 HG11 VAL A 29 15.939 -6.916 4.784 1.00 0.00 H new ATOM 0 HG12 VAL A 29 15.394 -8.417 5.570 1.00 0.00 H new ATOM 0 HG13 VAL A 29 15.339 -6.876 6.459 1.00 0.00 H new ATOM 0 HG21 VAL A 29 18.035 -5.826 5.471 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.491 -5.765 7.165 1.00 0.00 H new ATOM 0 HG23 VAL A 29 19.045 -6.530 6.755 1.00 0.00 H new ATOM 464 N ASP A 30 16.286 -7.841 9.674 1.00 0.00 N ATOM 465 CA ASP A 30 16.204 -7.014 10.899 1.00 0.00 C ATOM 466 C ASP A 30 16.313 -5.555 10.532 1.00 0.00 C ATOM 467 O ASP A 30 17.400 -5.025 10.404 1.00 0.00 O ATOM 468 CB ASP A 30 17.438 -7.425 11.677 1.00 0.00 C ATOM 469 CG ASP A 30 17.105 -8.594 12.605 1.00 0.00 C ATOM 470 OD1 ASP A 30 16.286 -8.407 13.490 1.00 0.00 O ATOM 471 OD2 ASP A 30 17.673 -9.656 12.415 1.00 0.00 O ATOM 0 H ASP A 30 15.602 -8.594 9.604 1.00 0.00 H new ATOM 0 HA ASP A 30 15.273 -7.150 11.450 1.00 0.00 H new ATOM 0 HB2 ASP A 30 18.233 -7.711 10.989 1.00 0.00 H new ATOM 0 HB3 ASP A 30 17.809 -6.582 12.259 1.00 0.00 H new ATOM 476 N SER A 31 15.233 -4.887 10.315 1.00 0.00 N ATOM 477 CA SER A 31 15.393 -3.494 9.902 1.00 0.00 C ATOM 478 C SER A 31 14.069 -2.746 10.035 1.00 0.00 C ATOM 479 O SER A 31 13.476 -2.313 9.068 1.00 0.00 O ATOM 480 CB SER A 31 15.858 -3.695 8.461 1.00 0.00 C ATOM 481 OG SER A 31 16.891 -2.779 8.165 1.00 0.00 O ATOM 0 H SER A 31 14.278 -5.233 10.403 1.00 0.00 H new ATOM 0 HA SER A 31 16.081 -2.886 10.489 1.00 0.00 H new ATOM 0 HB2 SER A 31 16.213 -4.716 8.322 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.023 -3.551 7.775 1.00 0.00 H new ATOM 0 HG SER A 31 17.671 -2.973 8.726 1.00 0.00 H new ATOM 487 N GLN A 32 13.612 -2.602 11.248 1.00 0.00 N ATOM 488 CA GLN A 32 12.326 -1.901 11.500 1.00 0.00 C ATOM 489 C GLN A 32 12.274 -0.581 10.731 1.00 0.00 C ATOM 490 O GLN A 32 11.215 -0.053 10.475 1.00 0.00 O ATOM 491 CB GLN A 32 12.321 -1.647 13.006 1.00 0.00 C ATOM 492 CG GLN A 32 10.914 -1.879 13.557 1.00 0.00 C ATOM 493 CD GLN A 32 10.435 -0.618 14.263 1.00 0.00 C ATOM 494 OE1 GLN A 32 10.830 -0.339 15.378 1.00 0.00 O ATOM 495 NE2 GLN A 32 9.593 0.163 13.653 1.00 0.00 N ATOM 0 H GLN A 32 14.083 -2.946 12.085 1.00 0.00 H new ATOM 0 HA GLN A 32 11.464 -2.482 11.174 1.00 0.00 H new ATOM 0 HB2 GLN A 32 13.031 -2.311 13.500 1.00 0.00 H new ATOM 0 HB3 GLN A 32 12.641 -0.626 13.215 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.232 -2.137 12.747 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.917 -2.719 14.251 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.263 -0.074 12.717 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.262 1.013 14.110 1.00 0.00 H new ATOM 504 N GLU A 33 13.396 -0.050 10.336 1.00 0.00 N ATOM 505 CA GLU A 33 13.363 1.222 9.562 1.00 0.00 C ATOM 506 C GLU A 33 12.738 0.942 8.202 1.00 0.00 C ATOM 507 O GLU A 33 12.123 1.795 7.594 1.00 0.00 O ATOM 508 CB GLU A 33 14.820 1.651 9.401 1.00 0.00 C ATOM 509 CG GLU A 33 15.550 1.504 10.736 1.00 0.00 C ATOM 510 CD GLU A 33 16.718 2.491 10.790 1.00 0.00 C ATOM 511 OE1 GLU A 33 17.726 2.221 10.157 1.00 0.00 O ATOM 512 OE2 GLU A 33 16.586 3.500 11.462 1.00 0.00 O ATOM 0 H GLU A 33 14.324 -0.435 10.512 1.00 0.00 H new ATOM 0 HA GLU A 33 12.781 2.001 10.055 1.00 0.00 H new ATOM 0 HB2 GLU A 33 15.307 1.041 8.640 1.00 0.00 H new ATOM 0 HB3 GLU A 33 14.869 2.685 9.060 1.00 0.00 H new ATOM 0 HG2 GLU A 33 14.863 1.692 11.561 1.00 0.00 H new ATOM 0 HG3 GLU A 33 15.916 0.484 10.852 1.00 0.00 H new ATOM 519 N VAL A 34 12.884 -0.262 7.733 1.00 0.00 N ATOM 520 CA VAL A 34 12.293 -0.626 6.424 1.00 0.00 C ATOM 521 C VAL A 34 10.796 -0.876 6.616 1.00 0.00 C ATOM 522 O VAL A 34 9.982 -0.478 5.807 1.00 0.00 O ATOM 523 CB VAL A 34 13.075 -1.875 5.985 1.00 0.00 C ATOM 524 CG1 VAL A 34 12.145 -2.916 5.353 1.00 0.00 C ATOM 525 CG2 VAL A 34 14.131 -1.447 4.963 1.00 0.00 C ATOM 0 H VAL A 34 13.390 -1.012 8.204 1.00 0.00 H new ATOM 0 HA VAL A 34 12.368 0.146 5.659 1.00 0.00 H new ATOM 0 HB VAL A 34 13.543 -2.329 6.859 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.726 -3.788 5.052 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.389 -3.216 6.078 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.658 -2.485 4.478 1.00 0.00 H new ATOM 0 HG21 VAL A 34 14.698 -2.320 4.638 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.641 -0.992 4.102 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.807 -0.724 5.420 1.00 0.00 H new ATOM 535 N ARG A 35 10.427 -1.485 7.703 1.00 0.00 N ATOM 536 CA ARG A 35 8.986 -1.702 7.974 1.00 0.00 C ATOM 537 C ARG A 35 8.412 -0.383 8.477 1.00 0.00 C ATOM 538 O ARG A 35 7.380 0.079 8.031 1.00 0.00 O ATOM 539 CB ARG A 35 8.964 -2.735 9.076 1.00 0.00 C ATOM 540 CG ARG A 35 8.311 -4.022 8.581 1.00 0.00 C ATOM 541 CD ARG A 35 7.464 -4.597 9.710 1.00 0.00 C ATOM 542 NE ARG A 35 6.716 -5.731 9.102 1.00 0.00 N ATOM 543 CZ ARG A 35 7.074 -6.959 9.363 1.00 0.00 C ATOM 544 NH1 ARG A 35 8.278 -7.363 9.066 1.00 0.00 N ATOM 545 NH2 ARG A 35 6.230 -7.782 9.923 1.00 0.00 N ATOM 0 H ARG A 35 11.063 -1.842 8.416 1.00 0.00 H new ATOM 0 HA ARG A 35 8.411 -2.027 7.107 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.980 -2.940 9.412 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.416 -2.348 9.936 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.692 -3.821 7.707 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.072 -4.740 8.274 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.088 -4.936 10.537 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.783 -3.847 10.112 1.00 0.00 H new ATOM 0 HE ARG A 35 5.926 -5.549 8.483 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.939 -6.720 8.630 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.559 -8.322 9.270 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.289 -7.466 10.157 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.511 -8.741 10.126 1.00 0.00 H new ATOM 559 N ASP A 36 9.119 0.253 9.377 1.00 0.00 N ATOM 560 CA ASP A 36 8.666 1.572 9.878 1.00 0.00 C ATOM 561 C ASP A 36 8.469 2.447 8.659 1.00 0.00 C ATOM 562 O ASP A 36 7.653 3.344 8.620 1.00 0.00 O ATOM 563 CB ASP A 36 9.817 2.095 10.740 1.00 0.00 C ATOM 564 CG ASP A 36 9.403 3.401 11.417 1.00 0.00 C ATOM 565 OD1 ASP A 36 8.972 4.300 10.714 1.00 0.00 O ATOM 566 OD2 ASP A 36 9.524 3.481 12.629 1.00 0.00 O ATOM 0 H ASP A 36 9.990 -0.090 9.782 1.00 0.00 H new ATOM 0 HA ASP A 36 7.742 1.542 10.456 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.086 1.354 11.492 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.701 2.258 10.123 1.00 0.00 H new ATOM 571 N TYR A 37 9.212 2.127 7.642 1.00 0.00 N ATOM 572 CA TYR A 37 9.119 2.835 6.365 1.00 0.00 C ATOM 573 C TYR A 37 7.909 2.281 5.626 1.00 0.00 C ATOM 574 O TYR A 37 7.030 3.001 5.208 1.00 0.00 O ATOM 575 CB TYR A 37 10.422 2.478 5.659 1.00 0.00 C ATOM 576 CG TYR A 37 10.204 2.558 4.179 1.00 0.00 C ATOM 577 CD1 TYR A 37 9.591 1.488 3.532 1.00 0.00 C ATOM 578 CD2 TYR A 37 10.550 3.712 3.472 1.00 0.00 C ATOM 579 CE1 TYR A 37 9.321 1.558 2.173 1.00 0.00 C ATOM 580 CE2 TYR A 37 10.272 3.793 2.106 1.00 0.00 C ATOM 581 CZ TYR A 37 9.656 2.720 1.454 1.00 0.00 C ATOM 582 OH TYR A 37 9.371 2.815 0.106 1.00 0.00 O ATOM 0 H TYR A 37 9.901 1.375 7.656 1.00 0.00 H new ATOM 0 HA TYR A 37 8.996 3.915 6.441 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.215 3.162 5.962 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.741 1.475 5.940 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.325 0.602 4.089 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.030 4.536 3.979 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.856 0.724 1.669 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.532 4.684 1.553 1.00 0.00 H new ATOM 0 HH TYR A 37 10.204 2.930 -0.397 1.00 0.00 H new ATOM 592 N CYS A 38 7.857 0.989 5.493 1.00 0.00 N ATOM 593 CA CYS A 38 6.716 0.343 4.804 1.00 0.00 C ATOM 594 C CYS A 38 5.402 0.866 5.388 1.00 0.00 C ATOM 595 O CYS A 38 4.527 1.305 4.672 1.00 0.00 O ATOM 596 CB CYS A 38 6.918 -1.142 5.088 1.00 0.00 C ATOM 597 SG CYS A 38 5.860 -2.133 4.014 1.00 0.00 S ATOM 0 H CYS A 38 8.569 0.345 5.839 1.00 0.00 H new ATOM 0 HA CYS A 38 6.670 0.546 3.734 1.00 0.00 H new ATOM 0 HB2 CYS A 38 7.962 -1.411 4.930 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.689 -1.354 6.132 1.00 0.00 H new ATOM 0 HG CYS A 38 5.256 -1.357 3.164 1.00 0.00 H new ATOM 603 N GLU A 39 5.267 0.859 6.683 1.00 0.00 N ATOM 604 CA GLU A 39 4.028 1.400 7.292 1.00 0.00 C ATOM 605 C GLU A 39 4.075 2.920 7.189 1.00 0.00 C ATOM 606 O GLU A 39 3.088 3.597 7.400 1.00 0.00 O ATOM 607 CB GLU A 39 4.074 0.957 8.749 1.00 0.00 C ATOM 608 CG GLU A 39 5.408 1.396 9.347 1.00 0.00 C ATOM 609 CD GLU A 39 5.158 2.387 10.486 1.00 0.00 C ATOM 610 OE1 GLU A 39 4.687 3.477 10.203 1.00 0.00 O ATOM 611 OE2 GLU A 39 5.443 2.039 11.620 1.00 0.00 O ATOM 0 H GLU A 39 5.959 0.503 7.342 1.00 0.00 H new ATOM 0 HA GLU A 39 3.116 1.053 6.806 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.246 1.397 9.305 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.965 -0.125 8.819 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.954 0.529 9.719 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.028 1.858 8.579 1.00 0.00 H new ATOM 618 N LYS A 40 5.205 3.465 6.803 1.00 0.00 N ATOM 619 CA LYS A 40 5.269 4.929 6.625 1.00 0.00 C ATOM 620 C LYS A 40 4.797 5.173 5.217 1.00 0.00 C ATOM 621 O LYS A 40 4.173 6.164 4.891 1.00 0.00 O ATOM 622 CB LYS A 40 6.735 5.344 6.752 1.00 0.00 C ATOM 623 CG LYS A 40 6.850 6.838 6.452 1.00 0.00 C ATOM 624 CD LYS A 40 8.224 7.339 6.890 1.00 0.00 C ATOM 625 CE LYS A 40 8.802 8.252 5.807 1.00 0.00 C ATOM 626 NZ LYS A 40 9.283 9.459 6.533 1.00 0.00 N ATOM 0 H LYS A 40 6.068 2.958 6.609 1.00 0.00 H new ATOM 0 HA LYS A 40 4.672 5.482 7.350 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.102 5.131 7.756 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.351 4.771 6.059 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.708 7.018 5.386 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.067 7.387 6.975 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.142 7.881 7.832 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.892 6.496 7.064 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.616 7.763 5.273 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.046 8.513 5.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.693 10.132 5.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.485 9.908 7.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.007 9.182 7.226 1.00 0.00 H new ATOM 640 N LYS A 41 5.098 4.222 4.387 1.00 0.00 N ATOM 641 CA LYS A 41 4.698 4.283 2.981 1.00 0.00 C ATOM 642 C LYS A 41 3.208 4.128 2.922 1.00 0.00 C ATOM 643 O LYS A 41 2.468 4.969 2.451 1.00 0.00 O ATOM 644 CB LYS A 41 5.304 3.044 2.367 1.00 0.00 C ATOM 645 CG LYS A 41 6.803 2.953 2.559 1.00 0.00 C ATOM 646 CD LYS A 41 7.405 4.330 2.784 1.00 0.00 C ATOM 647 CE LYS A 41 7.598 5.011 1.434 1.00 0.00 C ATOM 648 NZ LYS A 41 7.847 6.445 1.747 1.00 0.00 N ATOM 0 H LYS A 41 5.621 3.384 4.643 1.00 0.00 H new ATOM 0 HA LYS A 41 5.003 5.206 2.489 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.834 2.163 2.805 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.080 3.028 1.300 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.026 2.310 3.411 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.259 2.491 1.683 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.751 4.928 3.418 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.360 4.244 3.303 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.437 4.576 0.891 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.716 4.894 0.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.989 6.974 0.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.029 6.836 2.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.697 6.528 2.340 1.00 0.00 H new ATOM 662 N GLY A 42 2.781 3.025 3.450 1.00 0.00 N ATOM 663 CA GLY A 42 1.346 2.731 3.504 1.00 0.00 C ATOM 664 C GLY A 42 1.028 1.274 3.171 1.00 0.00 C ATOM 665 O GLY A 42 0.209 0.979 2.329 1.00 0.00 O ATOM 0 H GLY A 42 3.383 2.306 3.852 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.970 2.962 4.501 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.820 3.382 2.806 1.00 0.00 H new ATOM 669 N TRP A 43 1.619 0.367 3.888 1.00 0.00 N ATOM 670 CA TRP A 43 1.287 -1.073 3.699 1.00 0.00 C ATOM 671 C TRP A 43 0.884 -1.514 5.044 1.00 0.00 C ATOM 672 O TRP A 43 -0.144 -2.111 5.293 1.00 0.00 O ATOM 673 CB TRP A 43 2.512 -1.914 3.359 1.00 0.00 C ATOM 674 CG TRP A 43 3.480 -1.227 2.473 1.00 0.00 C ATOM 675 CD1 TRP A 43 3.719 0.085 2.475 1.00 0.00 C ATOM 676 CD2 TRP A 43 4.406 -1.795 1.493 1.00 0.00 C ATOM 677 NE1 TRP A 43 4.670 0.362 1.577 1.00 0.00 N ATOM 678 CE2 TRP A 43 5.152 -0.737 0.956 1.00 0.00 C ATOM 679 CE3 TRP A 43 4.675 -3.091 1.021 1.00 0.00 C ATOM 680 CZ2 TRP A 43 6.131 -0.917 0.007 1.00 0.00 C ATOM 681 CZ3 TRP A 43 5.668 -3.293 0.053 1.00 0.00 C ATOM 682 CH2 TRP A 43 6.403 -2.207 -0.454 1.00 0.00 C ATOM 0 H TRP A 43 2.322 0.559 4.602 1.00 0.00 H new ATOM 0 HA TRP A 43 0.553 -1.185 2.901 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.016 -2.196 4.283 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.186 -2.837 2.880 1.00 0.00 H new ATOM 0 HD1 TRP A 43 3.222 0.810 3.103 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.998 1.307 1.381 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.116 -3.932 1.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.682 -0.071 -0.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.870 -4.291 -0.306 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.172 -2.369 -1.194 1.00 0.00 H new ATOM 693 N ILE A 44 1.744 -1.130 5.923 1.00 0.00 N ATOM 694 CA ILE A 44 1.594 -1.369 7.354 1.00 0.00 C ATOM 695 C ILE A 44 2.059 -2.759 7.727 1.00 0.00 C ATOM 696 O ILE A 44 1.788 -3.257 8.802 1.00 0.00 O ATOM 697 CB ILE A 44 0.130 -1.219 7.674 1.00 0.00 C ATOM 698 CG1 ILE A 44 -0.467 -0.036 6.919 1.00 0.00 C ATOM 699 CG2 ILE A 44 0.006 -0.977 9.177 1.00 0.00 C ATOM 700 CD1 ILE A 44 -1.876 -0.408 6.466 1.00 0.00 C ATOM 0 H ILE A 44 2.598 -0.628 5.682 1.00 0.00 H new ATOM 0 HA ILE A 44 2.201 -0.661 7.918 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.408 -2.119 7.376 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.496 0.846 7.559 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.153 0.215 6.058 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.045 -0.864 9.442 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.427 -1.824 9.718 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.547 -0.070 9.445 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.317 0.429 5.924 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.830 -1.279 5.813 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.489 -0.639 7.337 1.00 0.00 H new ATOM 712 N VAL A 45 2.735 -3.373 6.825 1.00 0.00 N ATOM 713 CA VAL A 45 3.248 -4.752 7.035 1.00 0.00 C ATOM 714 C VAL A 45 3.510 -5.032 8.521 1.00 0.00 C ATOM 715 O VAL A 45 4.532 -4.661 9.062 1.00 0.00 O ATOM 716 CB VAL A 45 4.549 -4.780 6.249 1.00 0.00 C ATOM 717 CG1 VAL A 45 4.256 -4.827 4.748 1.00 0.00 C ATOM 718 CG2 VAL A 45 5.373 -3.532 6.580 1.00 0.00 C ATOM 0 H VAL A 45 2.967 -2.972 5.916 1.00 0.00 H new ATOM 0 HA VAL A 45 2.536 -5.511 6.711 1.00 0.00 H new ATOM 0 HB VAL A 45 5.114 -5.671 6.524 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.195 -4.847 4.194 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.680 -5.723 4.518 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.684 -3.945 4.461 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.306 -3.552 6.017 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.806 -2.640 6.312 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.594 -3.514 7.647 1.00 0.00 H new ATOM 728 N ASN A 46 2.590 -5.683 9.184 1.00 0.00 N ATOM 729 CA ASN A 46 2.785 -5.982 10.634 1.00 0.00 C ATOM 730 C ASN A 46 1.773 -7.033 11.107 1.00 0.00 C ATOM 731 O ASN A 46 0.582 -6.890 10.915 1.00 0.00 O ATOM 732 CB ASN A 46 2.542 -4.651 11.347 1.00 0.00 C ATOM 733 CG ASN A 46 2.332 -4.901 12.841 1.00 0.00 C ATOM 734 OD1 ASN A 46 2.805 -5.884 13.376 1.00 0.00 O ATOM 735 ND2 ASN A 46 1.637 -4.047 13.544 1.00 0.00 N ATOM 0 H ASN A 46 1.714 -6.020 8.785 1.00 0.00 H new ATOM 0 HA ASN A 46 3.777 -6.385 10.839 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.391 -3.985 11.195 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.668 -4.155 10.925 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.492 -4.206 14.541 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.240 -3.221 13.096 1.00 0.00 H new ATOM 1216 N THR B 15 14.040 -15.496 -9.871 1.00 0.00 N ATOM 1217 CA THR B 15 14.759 -14.251 -9.478 1.00 0.00 C ATOM 1218 C THR B 15 14.040 -13.018 -10.039 1.00 0.00 C ATOM 1219 O THR B 15 14.075 -12.760 -11.225 1.00 0.00 O ATOM 1220 CB THR B 15 16.153 -14.385 -10.084 1.00 0.00 C ATOM 1221 OG1 THR B 15 16.049 -14.833 -11.429 1.00 0.00 O ATOM 1222 CG2 THR B 15 16.968 -15.387 -9.264 1.00 0.00 C ATOM 0 HA THR B 15 14.799 -14.125 -8.396 1.00 0.00 H new ATOM 0 HB THR B 15 16.652 -13.416 -10.070 1.00 0.00 H new ATOM 0 HG1 THR B 15 15.291 -15.449 -11.511 1.00 0.00 H new ATOM 0 HG21 THR B 15 17.964 -15.485 -9.695 1.00 0.00 H new ATOM 0 HG22 THR B 15 17.050 -15.034 -8.236 1.00 0.00 H new ATOM 0 HG23 THR B 15 16.471 -16.357 -9.276 1.00 0.00 H new ATOM 1230 N SER B 16 13.386 -12.258 -9.195 1.00 0.00 N ATOM 1231 CA SER B 16 12.670 -11.043 -9.687 1.00 0.00 C ATOM 1232 C SER B 16 13.707 -10.054 -10.309 1.00 0.00 C ATOM 1233 O SER B 16 14.386 -10.477 -11.223 1.00 0.00 O ATOM 1234 CB SER B 16 11.900 -10.536 -8.469 1.00 0.00 C ATOM 1235 OG SER B 16 11.010 -11.555 -8.032 1.00 0.00 O ATOM 0 H SER B 16 13.318 -12.426 -8.191 1.00 0.00 H new ATOM 0 HA SER B 16 11.960 -11.211 -10.497 1.00 0.00 H new ATOM 0 HB2 SER B 16 12.591 -10.271 -7.669 1.00 0.00 H new ATOM 0 HB3 SER B 16 11.344 -9.633 -8.723 1.00 0.00 H new ATOM 0 HG SER B 16 10.512 -11.240 -7.249 1.00 0.00 H new ATOM 1241 N PRO B 17 13.867 -8.786 -9.892 1.00 0.00 N ATOM 1242 CA PRO B 17 13.170 -8.052 -8.818 1.00 0.00 C ATOM 1243 C PRO B 17 12.279 -6.969 -9.419 1.00 0.00 C ATOM 1244 O PRO B 17 12.244 -5.866 -8.911 1.00 0.00 O ATOM 1245 CB PRO B 17 14.332 -7.316 -8.165 1.00 0.00 C ATOM 1246 CG PRO B 17 15.365 -7.178 -9.242 1.00 0.00 C ATOM 1247 CD PRO B 17 14.816 -7.861 -10.453 1.00 0.00 C ATOM 0 HA PRO B 17 12.567 -8.696 -8.177 1.00 0.00 H new ATOM 0 HB2 PRO B 17 14.020 -6.341 -7.791 1.00 0.00 H new ATOM 0 HB3 PRO B 17 14.723 -7.874 -7.314 1.00 0.00 H new ATOM 0 HG2 PRO B 17 15.570 -6.128 -9.449 1.00 0.00 H new ATOM 0 HG3 PRO B 17 16.307 -7.632 -8.935 1.00 0.00 H new ATOM 0 HD2 PRO B 17 14.340 -7.156 -11.134 1.00 0.00 H new ATOM 0 HD3 PRO B 17 15.595 -8.373 -11.017 1.00 0.00 H new ATOM 1255 N PRO B 18 11.634 -7.269 -10.506 1.00 0.00 N ATOM 1256 CA PRO B 18 10.820 -6.239 -11.164 1.00 0.00 C ATOM 1257 C PRO B 18 9.723 -5.686 -10.233 1.00 0.00 C ATOM 1258 O PRO B 18 9.446 -4.505 -10.288 1.00 0.00 O ATOM 1259 CB PRO B 18 10.334 -6.929 -12.435 1.00 0.00 C ATOM 1260 CG PRO B 18 10.399 -8.386 -12.135 1.00 0.00 C ATOM 1261 CD PRO B 18 11.574 -8.553 -11.213 1.00 0.00 C ATOM 0 HA PRO B 18 11.365 -5.329 -11.415 1.00 0.00 H new ATOM 0 HB2 PRO B 18 9.318 -6.623 -12.686 1.00 0.00 H new ATOM 0 HB3 PRO B 18 10.963 -6.674 -13.287 1.00 0.00 H new ATOM 0 HG2 PRO B 18 9.478 -8.731 -11.664 1.00 0.00 H new ATOM 0 HG3 PRO B 18 10.529 -8.969 -13.047 1.00 0.00 H new ATOM 0 HD2 PRO B 18 11.429 -9.385 -10.524 1.00 0.00 H new ATOM 0 HD3 PRO B 18 12.493 -8.752 -11.765 1.00 0.00 H new ATOM 1269 N PRO B 19 9.178 -6.496 -9.348 1.00 0.00 N ATOM 1270 CA PRO B 19 8.198 -5.949 -8.387 1.00 0.00 C ATOM 1271 C PRO B 19 8.996 -5.178 -7.332 1.00 0.00 C ATOM 1272 O PRO B 19 9.222 -5.655 -6.239 1.00 0.00 O ATOM 1273 CB PRO B 19 7.534 -7.183 -7.789 1.00 0.00 C ATOM 1274 CG PRO B 19 8.538 -8.278 -7.951 1.00 0.00 C ATOM 1275 CD PRO B 19 9.388 -7.937 -9.152 1.00 0.00 C ATOM 0 HA PRO B 19 7.454 -5.277 -8.815 1.00 0.00 H new ATOM 0 HB2 PRO B 19 7.285 -7.028 -6.739 1.00 0.00 H new ATOM 0 HB3 PRO B 19 6.604 -7.420 -8.306 1.00 0.00 H new ATOM 0 HG2 PRO B 19 9.155 -8.368 -7.057 1.00 0.00 H new ATOM 0 HG3 PRO B 19 8.040 -9.237 -8.093 1.00 0.00 H new ATOM 0 HD2 PRO B 19 10.439 -8.165 -8.973 1.00 0.00 H new ATOM 0 HD3 PRO B 19 9.083 -8.507 -10.030 1.00 0.00 H new ATOM 1283 N GLU B 20 9.477 -4.017 -7.695 1.00 0.00 N ATOM 1284 CA GLU B 20 10.332 -3.193 -6.776 1.00 0.00 C ATOM 1285 C GLU B 20 9.671 -2.897 -5.424 1.00 0.00 C ATOM 1286 O GLU B 20 9.590 -1.757 -5.018 1.00 0.00 O ATOM 1287 CB GLU B 20 10.565 -1.882 -7.533 1.00 0.00 C ATOM 1288 CG GLU B 20 9.256 -1.411 -8.173 1.00 0.00 C ATOM 1289 CD GLU B 20 9.002 0.049 -7.797 1.00 0.00 C ATOM 1290 OE1 GLU B 20 9.928 0.836 -7.900 1.00 0.00 O ATOM 1291 OE2 GLU B 20 7.885 0.355 -7.410 1.00 0.00 O ATOM 0 H GLU B 20 9.312 -3.593 -8.608 1.00 0.00 H new ATOM 0 HA GLU B 20 11.247 -3.733 -6.533 1.00 0.00 H new ATOM 0 HB2 GLU B 20 10.941 -1.120 -6.851 1.00 0.00 H new ATOM 0 HB3 GLU B 20 11.325 -2.025 -8.301 1.00 0.00 H new ATOM 0 HG2 GLU B 20 9.311 -1.514 -9.257 1.00 0.00 H new ATOM 0 HG3 GLU B 20 8.428 -2.034 -7.835 1.00 0.00 H new ATOM 1298 N CYS B 21 9.248 -3.889 -4.691 1.00 0.00 N ATOM 1299 CA CYS B 21 8.667 -3.575 -3.347 1.00 0.00 C ATOM 1300 C CYS B 21 9.814 -3.372 -2.352 1.00 0.00 C ATOM 1301 O CYS B 21 9.709 -2.592 -1.427 1.00 0.00 O ATOM 1302 CB CYS B 21 7.713 -4.708 -2.889 1.00 0.00 C ATOM 1303 SG CYS B 21 7.842 -6.198 -3.917 1.00 0.00 S ATOM 0 H CYS B 21 9.275 -4.875 -4.949 1.00 0.00 H new ATOM 0 HA CYS B 21 8.077 -2.660 -3.401 1.00 0.00 H new ATOM 0 HB2 CYS B 21 7.935 -4.967 -1.854 1.00 0.00 H new ATOM 0 HB3 CYS B 21 6.686 -4.344 -2.913 1.00 0.00 H new ATOM 0 HG CYS B 21 8.013 -5.855 -5.159 1.00 0.00 H new ATOM 1309 N ILE B 22 10.919 -4.055 -2.544 1.00 0.00 N ATOM 1310 CA ILE B 22 12.078 -3.876 -1.615 1.00 0.00 C ATOM 1311 C ILE B 22 12.857 -2.624 -1.975 1.00 0.00 C ATOM 1312 O ILE B 22 13.108 -1.775 -1.155 1.00 0.00 O ATOM 1313 CB ILE B 22 13.010 -5.068 -1.823 1.00 0.00 C ATOM 1314 CG1 ILE B 22 12.314 -6.416 -1.602 1.00 0.00 C ATOM 1315 CG2 ILE B 22 14.176 -4.946 -0.852 1.00 0.00 C ATOM 1316 CD1 ILE B 22 10.899 -6.244 -1.034 1.00 0.00 C ATOM 0 H ILE B 22 11.067 -4.724 -3.299 1.00 0.00 H new ATOM 0 HA ILE B 22 11.718 -3.798 -0.589 1.00 0.00 H new ATOM 0 HB ILE B 22 13.347 -5.047 -2.859 1.00 0.00 H new ATOM 0 HG12 ILE B 22 12.262 -6.957 -2.547 1.00 0.00 H new ATOM 0 HG13 ILE B 22 12.908 -7.023 -0.919 1.00 0.00 H new ATOM 0 HG21 ILE B 22 14.852 -5.790 -0.987 1.00 0.00 H new ATOM 0 HG22 ILE B 22 14.713 -4.017 -1.043 1.00 0.00 H new ATOM 0 HG23 ILE B 22 13.799 -4.943 0.171 1.00 0.00 H new ATOM 0 HD11 ILE B 22 10.442 -7.223 -0.893 1.00 0.00 H new ATOM 0 HD12 ILE B 22 10.952 -5.727 -0.076 1.00 0.00 H new ATOM 0 HD13 ILE B 22 10.296 -5.659 -1.729 1.00 0.00 H new ATOM 1328 N ASN B 23 13.283 -2.519 -3.196 1.00 0.00 N ATOM 1329 CA ASN B 23 14.075 -1.317 -3.571 1.00 0.00 C ATOM 1330 C ASN B 23 13.205 -0.069 -3.456 1.00 0.00 C ATOM 1331 O ASN B 23 13.574 0.885 -2.806 1.00 0.00 O ATOM 1332 CB ASN B 23 14.548 -1.531 -5.006 1.00 0.00 C ATOM 1333 CG ASN B 23 13.358 -1.561 -5.955 1.00 0.00 C ATOM 1334 OD1 ASN B 23 12.301 -2.041 -5.607 1.00 0.00 O ATOM 1335 ND2 ASN B 23 13.494 -1.060 -7.153 1.00 0.00 N ATOM 0 H ASN B 23 13.123 -3.197 -3.941 1.00 0.00 H new ATOM 0 HA ASN B 23 14.930 -1.176 -2.910 1.00 0.00 H new ATOM 0 HB2 ASN B 23 15.231 -0.732 -5.294 1.00 0.00 H new ATOM 0 HB3 ASN B 23 15.103 -2.466 -5.078 1.00 0.00 H new ATOM 0 HD21 ASN B 23 12.708 -1.071 -7.803 1.00 0.00 H new ATOM 0 HD22 ASN B 23 14.386 -0.658 -7.439 1.00 0.00 H new ATOM 1342 N ASP B 24 12.031 -0.076 -4.025 1.00 0.00 N ATOM 1343 CA ASP B 24 11.158 1.113 -3.881 1.00 0.00 C ATOM 1344 C ASP B 24 10.972 1.344 -2.395 1.00 0.00 C ATOM 1345 O ASP B 24 10.688 2.434 -1.939 1.00 0.00 O ATOM 1346 CB ASP B 24 9.838 0.731 -4.546 1.00 0.00 C ATOM 1347 CG ASP B 24 9.001 1.988 -4.789 1.00 0.00 C ATOM 1348 OD1 ASP B 24 8.813 2.741 -3.848 1.00 0.00 O ATOM 1349 OD2 ASP B 24 8.560 2.175 -5.912 1.00 0.00 O ATOM 0 H ASP B 24 11.646 -0.844 -4.575 1.00 0.00 H new ATOM 0 HA ASP B 24 11.560 2.020 -4.332 1.00 0.00 H new ATOM 0 HB2 ASP B 24 10.029 0.222 -5.490 1.00 0.00 H new ATOM 0 HB3 ASP B 24 9.289 0.034 -3.913 1.00 0.00 H new ATOM 1354 N LEU B 25 11.169 0.303 -1.636 1.00 0.00 N ATOM 1355 CA LEU B 25 11.048 0.411 -0.176 1.00 0.00 C ATOM 1356 C LEU B 25 12.342 0.927 0.388 1.00 0.00 C ATOM 1357 O LEU B 25 12.425 1.955 1.032 1.00 0.00 O ATOM 1358 CB LEU B 25 10.840 -1.028 0.315 1.00 0.00 C ATOM 1359 CG LEU B 25 11.500 -1.249 1.702 1.00 0.00 C ATOM 1360 CD1 LEU B 25 10.442 -1.322 2.787 1.00 0.00 C ATOM 1361 CD2 LEU B 25 12.312 -2.541 1.686 1.00 0.00 C ATOM 0 H LEU B 25 11.412 -0.626 -1.980 1.00 0.00 H new ATOM 0 HA LEU B 25 10.240 1.079 0.123 1.00 0.00 H new ATOM 0 HB2 LEU B 25 9.773 -1.243 0.379 1.00 0.00 H new ATOM 0 HB3 LEU B 25 11.263 -1.726 -0.407 1.00 0.00 H new ATOM 0 HG LEU B 25 12.160 -0.408 1.913 1.00 0.00 H new ATOM 0 HD11 LEU B 25 10.922 -1.477 3.753 1.00 0.00 H new ATOM 0 HD12 LEU B 25 9.877 -0.390 2.808 1.00 0.00 H new ATOM 0 HD13 LEU B 25 9.766 -2.151 2.580 1.00 0.00 H new ATOM 0 HD21 LEU B 25 12.774 -2.693 2.662 1.00 0.00 H new ATOM 0 HD22 LEU B 25 11.655 -3.381 1.461 1.00 0.00 H new ATOM 0 HD23 LEU B 25 13.088 -2.473 0.924 1.00 0.00 H new ATOM 1373 N LEU B 26 13.340 0.134 0.195 1.00 0.00 N ATOM 1374 CA LEU B 26 14.644 0.424 0.743 1.00 0.00 C ATOM 1375 C LEU B 26 15.284 1.600 0.023 1.00 0.00 C ATOM 1376 O LEU B 26 16.330 2.084 0.407 1.00 0.00 O ATOM 1377 CB LEU B 26 15.398 -0.869 0.526 1.00 0.00 C ATOM 1378 CG LEU B 26 16.855 -0.619 0.734 1.00 0.00 C ATOM 1379 CD1 LEU B 26 17.061 -0.187 2.173 1.00 0.00 C ATOM 1380 CD2 LEU B 26 17.632 -1.905 0.458 1.00 0.00 C ATOM 0 H LEU B 26 13.288 -0.732 -0.342 1.00 0.00 H new ATOM 0 HA LEU B 26 14.627 0.721 1.792 1.00 0.00 H new ATOM 0 HB2 LEU B 26 15.044 -1.633 1.218 1.00 0.00 H new ATOM 0 HB3 LEU B 26 15.220 -1.245 -0.482 1.00 0.00 H new ATOM 0 HG LEU B 26 17.211 0.159 0.059 1.00 0.00 H new ATOM 0 HD11 LEU B 26 18.120 0.001 2.348 1.00 0.00 H new ATOM 0 HD12 LEU B 26 16.494 0.724 2.364 1.00 0.00 H new ATOM 0 HD13 LEU B 26 16.717 -0.976 2.842 1.00 0.00 H new ATOM 0 HD21 LEU B 26 18.697 -1.726 0.609 1.00 0.00 H new ATOM 0 HD22 LEU B 26 17.295 -2.687 1.139 1.00 0.00 H new ATOM 0 HD23 LEU B 26 17.459 -2.221 -0.571 1.00 0.00 H new ATOM 1392 N GLN B 27 14.634 2.102 -0.983 1.00 0.00 N ATOM 1393 CA GLN B 27 15.164 3.278 -1.679 1.00 0.00 C ATOM 1394 C GLN B 27 15.037 4.464 -0.727 1.00 0.00 C ATOM 1395 O GLN B 27 15.505 5.552 -0.998 1.00 0.00 O ATOM 1396 CB GLN B 27 14.245 3.454 -2.872 1.00 0.00 C ATOM 1397 CG GLN B 27 14.807 2.670 -4.059 1.00 0.00 C ATOM 1398 CD GLN B 27 15.324 3.631 -5.130 1.00 0.00 C ATOM 1399 OE1 GLN B 27 14.724 4.771 -5.306 1.00 0.00 O flip ATOM 1400 NE2 GLN B 27 16.285 3.338 -5.814 1.00 0.00 N flip ATOM 0 H GLN B 27 13.753 1.739 -1.349 1.00 0.00 H new ATOM 0 HA GLN B 27 16.205 3.188 -1.988 1.00 0.00 H new ATOM 0 HB2 GLN B 27 13.243 3.101 -2.629 1.00 0.00 H new ATOM 0 HB3 GLN B 27 14.158 4.510 -3.127 1.00 0.00 H new ATOM 0 HG2 GLN B 27 15.614 2.019 -3.724 1.00 0.00 H new ATOM 0 HG3 GLN B 27 14.033 2.028 -4.479 1.00 0.00 H new ATOM 0 HE21 GLN B 27 16.756 2.444 -5.676 1.00 0.00 H new ATOM 0 HE22 GLN B 27 16.621 3.986 -6.526 1.00 0.00 H new ATOM 1409 N ALA B 28 14.367 4.259 0.389 1.00 0.00 N ATOM 1410 CA ALA B 28 14.168 5.367 1.347 1.00 0.00 C ATOM 1411 C ALA B 28 14.609 5.008 2.777 1.00 0.00 C ATOM 1412 O ALA B 28 14.719 5.886 3.609 1.00 0.00 O ATOM 1413 CB ALA B 28 12.664 5.626 1.320 1.00 0.00 C ATOM 0 H ALA B 28 13.955 3.368 0.665 1.00 0.00 H new ATOM 0 HA ALA B 28 14.768 6.232 1.067 1.00 0.00 H new ATOM 0 HB1 ALA B 28 12.422 6.438 2.006 1.00 0.00 H new ATOM 0 HB2 ALA B 28 12.360 5.901 0.310 1.00 0.00 H new ATOM 0 HB3 ALA B 28 12.134 4.724 1.625 1.00 0.00 H new ATOM 1419 N VAL B 29 14.859 3.757 3.116 1.00 0.00 N ATOM 1420 CA VAL B 29 15.269 3.501 4.522 1.00 0.00 C ATOM 1421 C VAL B 29 16.743 3.155 4.584 1.00 0.00 C ATOM 1422 O VAL B 29 17.253 2.766 5.613 1.00 0.00 O ATOM 1423 CB VAL B 29 14.357 2.368 5.039 1.00 0.00 C ATOM 1424 CG1 VAL B 29 13.998 1.403 3.908 1.00 0.00 C ATOM 1425 CG2 VAL B 29 15.061 1.596 6.158 1.00 0.00 C ATOM 0 H VAL B 29 14.798 2.943 2.504 1.00 0.00 H new ATOM 0 HA VAL B 29 15.151 4.380 5.156 1.00 0.00 H new ATOM 0 HB VAL B 29 13.442 2.818 5.424 1.00 0.00 H new ATOM 0 HG11 VAL B 29 13.355 0.612 4.295 1.00 0.00 H new ATOM 0 HG12 VAL B 29 13.474 1.944 3.120 1.00 0.00 H new ATOM 0 HG13 VAL B 29 14.909 0.963 3.502 1.00 0.00 H new ATOM 0 HG21 VAL B 29 14.409 0.799 6.516 1.00 0.00 H new ATOM 0 HG22 VAL B 29 15.986 1.164 5.776 1.00 0.00 H new ATOM 0 HG23 VAL B 29 15.290 2.274 6.980 1.00 0.00 H new ATOM 1435 N ASP B 30 17.446 3.349 3.506 1.00 0.00 N ATOM 1436 CA ASP B 30 18.901 3.077 3.536 1.00 0.00 C ATOM 1437 C ASP B 30 19.156 1.762 4.231 1.00 0.00 C ATOM 1438 O ASP B 30 19.246 1.705 5.441 1.00 0.00 O ATOM 1439 CB ASP B 30 19.453 4.205 4.387 1.00 0.00 C ATOM 1440 CG ASP B 30 19.833 5.391 3.498 1.00 0.00 C ATOM 1441 OD1 ASP B 30 20.482 5.167 2.489 1.00 0.00 O ATOM 1442 OD2 ASP B 30 19.466 6.503 3.839 1.00 0.00 O ATOM 0 H ASP B 30 17.078 3.681 2.615 1.00 0.00 H new ATOM 0 HA ASP B 30 19.347 3.022 2.543 1.00 0.00 H new ATOM 0 HB2 ASP B 30 18.710 4.514 5.123 1.00 0.00 H new ATOM 0 HB3 ASP B 30 20.326 3.860 4.941 1.00 0.00 H new ATOM 1447 N SER B 31 19.237 0.688 3.522 1.00 0.00 N ATOM 1448 CA SER B 31 19.426 -0.566 4.248 1.00 0.00 C ATOM 1449 C SER B 31 19.847 -1.674 3.287 1.00 0.00 C ATOM 1450 O SER B 31 19.139 -2.632 3.061 1.00 0.00 O ATOM 1451 CB SER B 31 18.031 -0.750 4.842 1.00 0.00 C ATOM 1452 OG SER B 31 18.141 -1.209 6.173 1.00 0.00 O ATOM 0 H SER B 31 19.182 0.627 2.505 1.00 0.00 H new ATOM 0 HA SER B 31 20.211 -0.578 5.004 1.00 0.00 H new ATOM 0 HB2 SER B 31 17.486 0.194 4.816 1.00 0.00 H new ATOM 0 HB3 SER B 31 17.462 -1.464 4.246 1.00 0.00 H new ATOM 0 HG SER B 31 17.370 -1.774 6.389 1.00 0.00 H new ATOM 1458 N GLN B 32 21.019 -1.532 2.727 1.00 0.00 N ATOM 1459 CA GLN B 32 21.532 -2.545 1.769 1.00 0.00 C ATOM 1460 C GLN B 32 21.349 -3.955 2.328 1.00 0.00 C ATOM 1461 O GLN B 32 21.327 -4.916 1.594 1.00 0.00 O ATOM 1462 CB GLN B 32 23.016 -2.213 1.625 1.00 0.00 C ATOM 1463 CG GLN B 32 23.436 -2.370 0.164 1.00 0.00 C ATOM 1464 CD GLN B 32 24.577 -3.373 0.068 1.00 0.00 C ATOM 1465 OE1 GLN B 32 25.716 -3.049 0.345 1.00 0.00 O ATOM 1466 NE2 GLN B 32 24.317 -4.588 -0.315 1.00 0.00 N ATOM 0 H GLN B 32 21.647 -0.747 2.897 1.00 0.00 H new ATOM 0 HA GLN B 32 21.005 -2.520 0.815 1.00 0.00 H new ATOM 0 HB2 GLN B 32 23.205 -1.194 1.961 1.00 0.00 H new ATOM 0 HB3 GLN B 32 23.610 -2.873 2.258 1.00 0.00 H new ATOM 0 HG2 GLN B 32 22.590 -2.708 -0.434 1.00 0.00 H new ATOM 0 HG3 GLN B 32 23.749 -1.408 -0.241 1.00 0.00 H new ATOM 0 HE21 GLN B 32 23.360 -4.856 -0.546 1.00 0.00 H new ATOM 0 HE22 GLN B 32 25.070 -5.273 -0.384 1.00 0.00 H new ATOM 1475 N GLU B 33 21.196 -4.092 3.614 1.00 0.00 N ATOM 1476 CA GLU B 33 20.990 -5.453 4.181 1.00 0.00 C ATOM 1477 C GLU B 33 19.638 -5.973 3.714 1.00 0.00 C ATOM 1478 O GLU B 33 19.437 -7.160 3.545 1.00 0.00 O ATOM 1479 CB GLU B 33 21.003 -5.274 5.700 1.00 0.00 C ATOM 1480 CG GLU B 33 22.123 -4.311 6.098 1.00 0.00 C ATOM 1481 CD GLU B 33 22.656 -4.687 7.482 1.00 0.00 C ATOM 1482 OE1 GLU B 33 22.005 -4.350 8.458 1.00 0.00 O ATOM 1483 OE2 GLU B 33 23.707 -5.305 7.543 1.00 0.00 O ATOM 0 H GLU B 33 21.204 -3.330 4.292 1.00 0.00 H new ATOM 0 HA GLU B 33 21.754 -6.164 3.866 1.00 0.00 H new ATOM 0 HB2 GLU B 33 20.041 -4.888 6.038 1.00 0.00 H new ATOM 0 HB3 GLU B 33 21.149 -6.238 6.188 1.00 0.00 H new ATOM 0 HG2 GLU B 33 22.928 -4.350 5.364 1.00 0.00 H new ATOM 0 HG3 GLU B 33 21.750 -3.287 6.107 1.00 0.00 H new ATOM 1490 N VAL B 34 18.711 -5.086 3.489 1.00 0.00 N ATOM 1491 CA VAL B 34 17.375 -5.520 3.016 1.00 0.00 C ATOM 1492 C VAL B 34 17.467 -5.845 1.524 1.00 0.00 C ATOM 1493 O VAL B 34 16.904 -6.814 1.053 1.00 0.00 O ATOM 1494 CB VAL B 34 16.438 -4.337 3.332 1.00 0.00 C ATOM 1495 CG1 VAL B 34 15.516 -4.031 2.149 1.00 0.00 C ATOM 1496 CG2 VAL B 34 15.585 -4.706 4.548 1.00 0.00 C ATOM 0 H VAL B 34 18.824 -4.080 3.613 1.00 0.00 H new ATOM 0 HA VAL B 34 16.998 -6.423 3.497 1.00 0.00 H new ATOM 0 HB VAL B 34 17.042 -3.452 3.533 1.00 0.00 H new ATOM 0 HG11 VAL B 34 14.867 -3.192 2.401 1.00 0.00 H new ATOM 0 HG12 VAL B 34 16.117 -3.775 1.276 1.00 0.00 H new ATOM 0 HG13 VAL B 34 14.907 -4.907 1.926 1.00 0.00 H new ATOM 0 HG21 VAL B 34 14.915 -3.880 4.787 1.00 0.00 H new ATOM 0 HG22 VAL B 34 14.998 -5.596 4.324 1.00 0.00 H new ATOM 0 HG23 VAL B 34 16.234 -4.905 5.401 1.00 0.00 H new ATOM 1506 N ARG B 35 18.215 -5.075 0.791 1.00 0.00 N ATOM 1507 CA ARG B 35 18.391 -5.377 -0.648 1.00 0.00 C ATOM 1508 C ARG B 35 19.386 -6.526 -0.760 1.00 0.00 C ATOM 1509 O ARG B 35 19.175 -7.489 -1.470 1.00 0.00 O ATOM 1510 CB ARG B 35 18.981 -4.113 -1.226 1.00 0.00 C ATOM 1511 CG ARG B 35 18.006 -3.479 -2.212 1.00 0.00 C ATOM 1512 CD ARG B 35 18.806 -2.908 -3.375 1.00 0.00 C ATOM 1513 NE ARG B 35 17.789 -2.454 -4.361 1.00 0.00 N ATOM 1514 CZ ARG B 35 17.510 -1.184 -4.462 1.00 0.00 C ATOM 1515 NH1 ARG B 35 17.150 -0.511 -3.404 1.00 0.00 N ATOM 1516 NH2 ARG B 35 17.597 -0.586 -5.617 1.00 0.00 N ATOM 0 H ARG B 35 18.711 -4.250 1.128 1.00 0.00 H new ATOM 0 HA ARG B 35 17.472 -5.662 -1.160 1.00 0.00 H new ATOM 0 HB2 ARG B 35 19.208 -3.410 -0.425 1.00 0.00 H new ATOM 0 HB3 ARG B 35 19.922 -4.339 -1.728 1.00 0.00 H new ATOM 0 HG2 ARG B 35 17.292 -4.221 -2.570 1.00 0.00 H new ATOM 0 HG3 ARG B 35 17.431 -2.692 -1.724 1.00 0.00 H new ATOM 0 HD2 ARG B 35 19.437 -2.081 -3.050 1.00 0.00 H new ATOM 0 HD3 ARG B 35 19.465 -3.661 -3.807 1.00 0.00 H new ATOM 0 HE ARG B 35 17.312 -3.132 -4.955 1.00 0.00 H new ATOM 0 HH11 ARG B 35 17.087 -0.978 -2.499 1.00 0.00 H new ATOM 0 HH12 ARG B 35 16.931 0.482 -3.481 1.00 0.00 H new ATOM 0 HH21 ARG B 35 17.884 -1.111 -6.443 1.00 0.00 H new ATOM 0 HH22 ARG B 35 17.379 0.407 -5.695 1.00 0.00 H new ATOM 1530 N ASP B 36 20.457 -6.444 -0.012 1.00 0.00 N ATOM 1531 CA ASP B 36 21.452 -7.543 -0.017 1.00 0.00 C ATOM 1532 C ASP B 36 20.692 -8.811 0.319 1.00 0.00 C ATOM 1533 O ASP B 36 21.029 -9.903 -0.088 1.00 0.00 O ATOM 1534 CB ASP B 36 22.445 -7.194 1.092 1.00 0.00 C ATOM 1535 CG ASP B 36 23.587 -8.211 1.095 1.00 0.00 C ATOM 1536 OD1 ASP B 36 23.315 -9.379 1.316 1.00 0.00 O ATOM 1537 OD2 ASP B 36 24.717 -7.804 0.878 1.00 0.00 O ATOM 0 H ASP B 36 20.680 -5.660 0.601 1.00 0.00 H new ATOM 0 HA ASP B 36 21.974 -7.676 -0.965 1.00 0.00 H new ATOM 0 HB2 ASP B 36 22.839 -6.189 0.938 1.00 0.00 H new ATOM 0 HB3 ASP B 36 21.941 -7.194 2.059 1.00 0.00 H new ATOM 1542 N TYR B 37 19.628 -8.628 1.041 1.00 0.00 N ATOM 1543 CA TYR B 37 18.749 -9.735 1.419 1.00 0.00 C ATOM 1544 C TYR B 37 17.860 -10.040 0.218 1.00 0.00 C ATOM 1545 O TYR B 37 17.765 -11.155 -0.242 1.00 0.00 O ATOM 1546 CB TYR B 37 17.946 -9.167 2.586 1.00 0.00 C ATOM 1547 CG TYR B 37 16.616 -9.856 2.638 1.00 0.00 C ATOM 1548 CD1 TYR B 37 15.611 -9.444 1.766 1.00 0.00 C ATOM 1549 CD2 TYR B 37 16.411 -10.934 3.501 1.00 0.00 C ATOM 1550 CE1 TYR B 37 14.391 -10.104 1.749 1.00 0.00 C ATOM 1551 CE2 TYR B 37 15.189 -11.610 3.481 1.00 0.00 C ATOM 1552 CZ TYR B 37 14.178 -11.200 2.604 1.00 0.00 C ATOM 1553 OH TYR B 37 12.979 -11.885 2.575 1.00 0.00 O ATOM 0 H TYR B 37 19.330 -7.718 1.392 1.00 0.00 H new ATOM 0 HA TYR B 37 19.255 -10.659 1.699 1.00 0.00 H new ATOM 0 HB2 TYR B 37 18.484 -9.315 3.522 1.00 0.00 H new ATOM 0 HB3 TYR B 37 17.810 -8.093 2.463 1.00 0.00 H new ATOM 0 HD1 TYR B 37 15.782 -8.609 1.102 1.00 0.00 H new ATOM 0 HD2 TYR B 37 17.192 -11.243 4.180 1.00 0.00 H new ATOM 0 HE1 TYR B 37 13.607 -9.777 1.081 1.00 0.00 H new ATOM 0 HE2 TYR B 37 15.024 -12.448 4.142 1.00 0.00 H new ATOM 0 HH TYR B 37 12.501 -11.744 3.419 1.00 0.00 H new ATOM 1563 N CYS B 38 17.230 -9.028 -0.301 1.00 0.00 N ATOM 1564 CA CYS B 38 16.350 -9.207 -1.479 1.00 0.00 C ATOM 1565 C CYS B 38 17.108 -9.965 -2.569 1.00 0.00 C ATOM 1566 O CYS B 38 16.648 -10.967 -3.076 1.00 0.00 O ATOM 1567 CB CYS B 38 16.022 -7.776 -1.894 1.00 0.00 C ATOM 1568 SG CYS B 38 14.634 -7.748 -3.046 1.00 0.00 S ATOM 0 H CYS B 38 17.290 -8.071 0.048 1.00 0.00 H new ATOM 0 HA CYS B 38 15.448 -9.787 -1.283 1.00 0.00 H new ATOM 0 HB2 CYS B 38 15.781 -7.183 -1.012 1.00 0.00 H new ATOM 0 HB3 CYS B 38 16.895 -7.317 -2.358 1.00 0.00 H new ATOM 0 HG CYS B 38 14.157 -8.950 -3.179 1.00 0.00 H new ATOM 1574 N GLU B 39 18.285 -9.522 -2.905 1.00 0.00 N ATOM 1575 CA GLU B 39 19.079 -10.253 -3.923 1.00 0.00 C ATOM 1576 C GLU B 39 19.579 -11.546 -3.293 1.00 0.00 C ATOM 1577 O GLU B 39 20.056 -12.434 -3.971 1.00 0.00 O ATOM 1578 CB GLU B 39 20.249 -9.331 -4.253 1.00 0.00 C ATOM 1579 CG GLU B 39 20.937 -8.936 -2.948 1.00 0.00 C ATOM 1580 CD GLU B 39 22.378 -9.450 -2.947 1.00 0.00 C ATOM 1581 OE1 GLU B 39 22.560 -10.645 -3.116 1.00 0.00 O ATOM 1582 OE2 GLU B 39 23.275 -8.641 -2.775 1.00 0.00 O ATOM 0 H GLU B 39 18.729 -8.688 -2.520 1.00 0.00 H new ATOM 0 HA GLU B 39 18.511 -10.504 -4.819 1.00 0.00 H new ATOM 0 HB2 GLU B 39 20.953 -9.835 -4.915 1.00 0.00 H new ATOM 0 HB3 GLU B 39 19.896 -8.444 -4.779 1.00 0.00 H new ATOM 0 HG2 GLU B 39 20.928 -7.852 -2.835 1.00 0.00 H new ATOM 0 HG3 GLU B 39 20.393 -9.350 -2.099 1.00 0.00 H new ATOM 1589 N LYS B 40 19.422 -11.685 -1.998 1.00 0.00 N ATOM 1590 CA LYS B 40 19.835 -12.949 -1.359 1.00 0.00 C ATOM 1591 C LYS B 40 18.646 -13.864 -1.479 1.00 0.00 C ATOM 1592 O LYS B 40 18.748 -15.067 -1.623 1.00 0.00 O ATOM 1593 CB LYS B 40 20.101 -12.649 0.115 1.00 0.00 C ATOM 1594 CG LYS B 40 20.416 -13.958 0.832 1.00 0.00 C ATOM 1595 CD LYS B 40 21.024 -13.653 2.198 1.00 0.00 C ATOM 1596 CE LYS B 40 20.393 -14.568 3.248 1.00 0.00 C ATOM 1597 NZ LYS B 40 21.537 -15.088 4.047 1.00 0.00 N ATOM 0 H LYS B 40 19.030 -10.981 -1.373 1.00 0.00 H new ATOM 0 HA LYS B 40 20.724 -13.391 -1.808 1.00 0.00 H new ATOM 0 HB2 LYS B 40 20.935 -11.954 0.215 1.00 0.00 H new ATOM 0 HB3 LYS B 40 19.231 -12.171 0.566 1.00 0.00 H new ATOM 0 HG2 LYS B 40 19.508 -14.549 0.950 1.00 0.00 H new ATOM 0 HG3 LYS B 40 21.109 -14.554 0.238 1.00 0.00 H new ATOM 0 HD2 LYS B 40 22.103 -13.803 2.170 1.00 0.00 H new ATOM 0 HD3 LYS B 40 20.854 -12.609 2.460 1.00 0.00 H new ATOM 0 HE2 LYS B 40 19.690 -14.021 3.876 1.00 0.00 H new ATOM 0 HE3 LYS B 40 19.837 -15.381 2.780 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 21.182 -15.725 4.789 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 22.186 -15.610 3.425 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 22.043 -14.293 4.487 1.00 0.00 H new ATOM 1611 N LYS B 41 17.505 -13.250 -1.433 1.00 0.00 N ATOM 1612 CA LYS B 41 16.241 -13.979 -1.554 1.00 0.00 C ATOM 1613 C LYS B 41 16.130 -14.473 -2.965 1.00 0.00 C ATOM 1614 O LYS B 41 16.036 -15.650 -3.254 1.00 0.00 O ATOM 1615 CB LYS B 41 15.179 -12.919 -1.368 1.00 0.00 C ATOM 1616 CG LYS B 41 15.309 -12.163 -0.065 1.00 0.00 C ATOM 1617 CD LYS B 41 16.053 -12.987 0.970 1.00 0.00 C ATOM 1618 CE LYS B 41 15.081 -13.966 1.620 1.00 0.00 C ATOM 1619 NZ LYS B 41 15.937 -14.947 2.341 1.00 0.00 N ATOM 0 H LYS B 41 17.403 -12.242 -1.313 1.00 0.00 H new ATOM 0 HA LYS B 41 16.158 -14.809 -0.852 1.00 0.00 H new ATOM 0 HB2 LYS B 41 15.232 -12.213 -2.196 1.00 0.00 H new ATOM 0 HB3 LYS B 41 14.196 -13.388 -1.411 1.00 0.00 H new ATOM 0 HG2 LYS B 41 15.837 -11.225 -0.236 1.00 0.00 H new ATOM 0 HG3 LYS B 41 14.319 -11.908 0.312 1.00 0.00 H new ATOM 0 HD2 LYS B 41 16.874 -13.528 0.500 1.00 0.00 H new ATOM 0 HD3 LYS B 41 16.492 -12.335 1.725 1.00 0.00 H new ATOM 0 HE2 LYS B 41 14.406 -13.454 2.306 1.00 0.00 H new ATOM 0 HE3 LYS B 41 14.461 -14.460 0.872 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 15.335 -15.652 2.813 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 16.564 -15.425 1.663 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 16.511 -14.450 3.052 1.00 0.00 H new ATOM 1633 N GLY B 42 16.171 -13.526 -3.847 1.00 0.00 N ATOM 1634 CA GLY B 42 16.106 -13.834 -5.278 1.00 0.00 C ATOM 1635 C GLY B 42 15.227 -12.851 -6.048 1.00 0.00 C ATOM 1636 O GLY B 42 14.322 -13.229 -6.761 1.00 0.00 O ATOM 0 H GLY B 42 16.248 -12.534 -3.625 1.00 0.00 H new ATOM 0 HA2 GLY B 42 17.113 -13.820 -5.695 1.00 0.00 H new ATOM 0 HA3 GLY B 42 15.719 -14.844 -5.412 1.00 0.00 H new ATOM 1640 N TRP B 43 15.542 -11.594 -5.963 1.00 0.00 N ATOM 1641 CA TRP B 43 14.801 -10.582 -6.765 1.00 0.00 C ATOM 1642 C TRP B 43 15.864 -9.872 -7.496 1.00 0.00 C ATOM 1643 O TRP B 43 15.854 -9.669 -8.693 1.00 0.00 O ATOM 1644 CB TRP B 43 14.136 -9.516 -5.903 1.00 0.00 C ATOM 1645 CG TRP B 43 13.591 -10.026 -4.627 1.00 0.00 C ATOM 1646 CD1 TRP B 43 14.113 -11.029 -3.919 1.00 0.00 C ATOM 1647 CD2 TRP B 43 12.464 -9.529 -3.841 1.00 0.00 C ATOM 1648 NE1 TRP B 43 13.392 -11.201 -2.806 1.00 0.00 N ATOM 1649 CE2 TRP B 43 12.384 -10.310 -2.680 1.00 0.00 C ATOM 1650 CE3 TRP B 43 11.519 -8.503 -4.005 1.00 0.00 C ATOM 1651 CZ2 TRP B 43 11.434 -10.109 -1.706 1.00 0.00 C ATOM 1652 CZ3 TRP B 43 10.542 -8.283 -3.022 1.00 0.00 C ATOM 1653 CH2 TRP B 43 10.503 -9.081 -1.865 1.00 0.00 C ATOM 0 H TRP B 43 16.283 -11.219 -5.371 1.00 0.00 H new ATOM 0 HA TRP B 43 14.033 -11.074 -7.361 1.00 0.00 H new ATOM 0 HB2 TRP B 43 14.862 -8.732 -5.688 1.00 0.00 H new ATOM 0 HB3 TRP B 43 13.329 -9.055 -6.472 1.00 0.00 H new ATOM 0 HD1 TRP B 43 14.979 -11.609 -4.200 1.00 0.00 H new ATOM 0 HE1 TRP B 43 13.584 -11.932 -2.121 1.00 0.00 H new ATOM 0 HE3 TRP B 43 11.544 -7.883 -4.889 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 11.409 -10.739 -0.829 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 9.815 -7.495 -3.155 1.00 0.00 H new ATOM 0 HH2 TRP B 43 9.758 -8.900 -1.104 1.00 0.00 H new ATOM 1664 N ILE B 44 16.820 -9.537 -6.703 1.00 0.00 N ATOM 1665 CA ILE B 44 18.030 -8.857 -7.152 1.00 0.00 C ATOM 1666 C ILE B 44 17.787 -7.374 -7.304 1.00 0.00 C ATOM 1667 O ILE B 44 18.566 -6.659 -7.904 1.00 0.00 O ATOM 1668 CB ILE B 44 18.392 -9.446 -8.493 1.00 0.00 C ATOM 1669 CG1 ILE B 44 18.194 -10.957 -8.488 1.00 0.00 C ATOM 1670 CG2 ILE B 44 19.860 -9.129 -8.766 1.00 0.00 C ATOM 1671 CD1 ILE B 44 17.652 -11.384 -9.851 1.00 0.00 C ATOM 0 H ILE B 44 16.803 -9.722 -5.700 1.00 0.00 H new ATOM 0 HA ILE B 44 18.831 -8.991 -6.425 1.00 0.00 H new ATOM 0 HB ILE B 44 17.751 -9.020 -9.265 1.00 0.00 H new ATOM 0 HG12 ILE B 44 19.138 -11.461 -8.282 1.00 0.00 H new ATOM 0 HG13 ILE B 44 17.500 -11.245 -7.698 1.00 0.00 H new ATOM 0 HG21 ILE B 44 20.148 -9.544 -9.732 1.00 0.00 H new ATOM 0 HG22 ILE B 44 20.003 -8.048 -8.779 1.00 0.00 H new ATOM 0 HG23 ILE B 44 20.479 -9.567 -7.983 1.00 0.00 H new ATOM 0 HD11 ILE B 44 17.505 -12.464 -9.862 1.00 0.00 H new ATOM 0 HD12 ILE B 44 16.700 -10.887 -10.036 1.00 0.00 H new ATOM 0 HD13 ILE B 44 18.364 -11.107 -10.629 1.00 0.00 H new ATOM 1683 N VAL B 45 16.694 -6.939 -6.785 1.00 0.00 N ATOM 1684 CA VAL B 45 16.289 -5.512 -6.871 1.00 0.00 C ATOM 1685 C VAL B 45 17.497 -4.592 -7.080 1.00 0.00 C ATOM 1686 O VAL B 45 18.159 -4.189 -6.145 1.00 0.00 O ATOM 1687 CB VAL B 45 15.617 -5.243 -5.535 1.00 0.00 C ATOM 1688 CG1 VAL B 45 14.220 -5.865 -5.528 1.00 0.00 C ATOM 1689 CG2 VAL B 45 16.455 -5.835 -4.398 1.00 0.00 C ATOM 0 H VAL B 45 16.032 -7.531 -6.283 1.00 0.00 H new ATOM 0 HA VAL B 45 15.633 -5.318 -7.720 1.00 0.00 H new ATOM 0 HB VAL B 45 15.533 -4.166 -5.388 1.00 0.00 H new ATOM 0 HG11 VAL B 45 13.740 -5.671 -4.569 1.00 0.00 H new ATOM 0 HG12 VAL B 45 13.623 -5.427 -6.328 1.00 0.00 H new ATOM 0 HG13 VAL B 45 14.300 -6.941 -5.682 1.00 0.00 H new ATOM 0 HG21 VAL B 45 15.966 -5.637 -3.444 1.00 0.00 H new ATOM 0 HG22 VAL B 45 16.552 -6.911 -4.540 1.00 0.00 H new ATOM 0 HG23 VAL B 45 17.445 -5.378 -4.399 1.00 0.00 H new