USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 759 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 51 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 69 ASN : amide:sc= -0.469 K(o=-0.47,f=-1.5) USER MOD Set 2.1: A 26 MET CE :methyl -154:sc= -1.12 (180deg=-3.55!) USER MOD Set 2.2: A 32 LYS NZ :NH3+ 155:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -139:sc= 1.07 (180deg=0.246) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -127:sc= -0.207 (180deg=-6.27!) USER MOD Single : A 27 SER OG : rot 46:sc= 0.0731 USER MOD Single : A 29 THR OG1 : rot 120:sc= 0.712 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0658 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -120:sc= 1.1 (180deg=-0.199) USER MOD Single : A 40 HIS :FLIP no HD1:sc= -0.718 F(o=-1.6,f=-0.72) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0679 USER MOD Single : A 59 THR OG1 : rot -126:sc= 1.23 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0414 USER MOD Single : A 76 ASN : amide:sc= -0.0521 X(o=-0.052,f=0) USER MOD Single : A 78 GLN : amide:sc= -0.0552 X(o=-0.055,f=-0.4) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot -39:sc= 1.09 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -0.0199 F(o=-0.97,f=-0.02) USER MOD Single : A 98 MET CE :methyl 160:sc= -2.1 (180deg=-2.52) USER MOD Single : A 104 ASN : amide:sc= -1.11 X(o=-1.1,f=-1.4) USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 255 N LYS A 19 12.322 -20.088 15.581 1.00 0.00 N ATOM 256 CA LYS A 19 11.311 -19.308 16.284 1.00 0.00 C ATOM 257 C LYS A 19 10.571 -18.383 15.322 1.00 0.00 C ATOM 258 O LYS A 19 11.016 -18.157 14.197 1.00 0.00 O ATOM 259 CB LYS A 19 11.957 -18.486 17.401 1.00 0.00 C ATOM 260 CG LYS A 19 11.967 -19.191 18.747 1.00 0.00 C ATOM 261 CD LYS A 19 13.018 -20.288 18.794 1.00 0.00 C ATOM 262 CE LYS A 19 13.819 -20.237 20.085 1.00 0.00 C ATOM 263 NZ LYS A 19 15.006 -21.135 20.037 1.00 0.00 N ATOM 0 HA LYS A 19 10.592 -20.001 16.720 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.982 -18.246 17.118 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.424 -17.540 17.500 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.161 -18.466 19.537 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.984 -19.619 18.942 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.535 -21.261 18.703 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.691 -20.185 17.943 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.145 -19.213 20.270 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.180 -20.524 20.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.112 -21.620 20.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.877 -21.841 19.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.859 -20.573 19.842 1.00 0.00 H new ATOM 277 N TYR A 20 9.440 -17.851 15.772 1.00 0.00 N ATOM 278 CA TYR A 20 8.638 -16.952 14.951 1.00 0.00 C ATOM 279 C TYR A 20 7.902 -15.935 15.817 1.00 0.00 C ATOM 280 O TYR A 20 7.553 -16.216 16.964 1.00 0.00 O ATOM 281 CB TYR A 20 7.635 -17.749 14.116 1.00 0.00 C ATOM 282 CG TYR A 20 6.250 -17.800 14.720 1.00 0.00 C ATOM 283 CD1 TYR A 20 5.937 -18.720 15.713 1.00 0.00 C ATOM 284 CD2 TYR A 20 5.254 -16.928 14.298 1.00 0.00 C ATOM 285 CE1 TYR A 20 4.673 -18.771 16.267 1.00 0.00 C ATOM 286 CE2 TYR A 20 3.987 -16.970 14.847 1.00 0.00 C ATOM 287 CZ TYR A 20 3.701 -17.894 15.831 1.00 0.00 C ATOM 288 OH TYR A 20 2.441 -17.940 16.381 1.00 0.00 O ATOM 0 H TYR A 20 9.058 -18.027 16.701 1.00 0.00 H new ATOM 0 HA TYR A 20 9.310 -16.414 14.283 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.572 -17.309 13.121 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.006 -18.766 13.992 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.695 -19.407 16.058 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.474 -16.204 13.527 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.447 -19.493 17.037 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.225 -16.284 14.508 1.00 0.00 H new ATOM 0 HH TYR A 20 1.877 -17.256 15.964 1.00 0.00 H new ATOM 298 N ILE A 21 7.668 -14.752 15.259 1.00 0.00 N ATOM 299 CA ILE A 21 6.972 -13.692 15.979 1.00 0.00 C ATOM 300 C ILE A 21 6.128 -12.847 15.031 1.00 0.00 C ATOM 301 O ILE A 21 5.694 -11.750 15.381 1.00 0.00 O ATOM 302 CB ILE A 21 7.959 -12.776 16.726 1.00 0.00 C ATOM 303 CG1 ILE A 21 8.950 -12.149 15.743 1.00 0.00 C ATOM 304 CG2 ILE A 21 8.696 -13.558 17.803 1.00 0.00 C ATOM 305 CD1 ILE A 21 9.738 -10.999 16.330 1.00 0.00 C ATOM 0 H ILE A 21 7.950 -14.503 14.311 1.00 0.00 H new ATOM 0 HA ILE A 21 6.321 -14.178 16.706 1.00 0.00 H new ATOM 0 HB ILE A 21 7.397 -11.975 17.207 1.00 0.00 H new ATOM 0 HG12 ILE A 21 9.644 -12.917 15.400 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.406 -11.796 14.867 1.00 0.00 H new ATOM 0 HG21 ILE A 21 9.390 -12.897 18.322 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.977 -13.961 18.516 1.00 0.00 H new ATOM 0 HG23 ILE A 21 9.250 -14.377 17.344 1.00 0.00 H new ATOM 0 HD11 ILE A 21 10.420 -10.604 15.577 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.053 -10.213 16.647 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.310 -11.351 17.189 1.00 0.00 H new ATOM 317 N GLY A 22 5.899 -13.366 13.829 1.00 0.00 N ATOM 318 CA GLY A 22 5.106 -12.646 12.849 1.00 0.00 C ATOM 319 C GLY A 22 5.554 -11.207 12.685 1.00 0.00 C ATOM 320 O GLY A 22 4.939 -10.292 13.233 1.00 0.00 O ATOM 0 H GLY A 22 6.248 -14.272 13.516 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.172 -13.156 11.888 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.058 -12.665 13.149 1.00 0.00 H new ATOM 324 N ILE A 23 6.629 -11.007 11.930 1.00 0.00 N ATOM 325 CA ILE A 23 7.159 -9.669 11.696 1.00 0.00 C ATOM 326 C ILE A 23 7.844 -9.579 10.337 1.00 0.00 C ATOM 327 O ILE A 23 8.585 -10.480 9.943 1.00 0.00 O ATOM 328 CB ILE A 23 8.162 -9.262 12.792 1.00 0.00 C ATOM 329 CG1 ILE A 23 9.385 -10.181 12.762 1.00 0.00 C ATOM 330 CG2 ILE A 23 7.497 -9.300 14.160 1.00 0.00 C ATOM 331 CD1 ILE A 23 10.626 -9.517 12.207 1.00 0.00 C ATOM 0 H ILE A 23 7.150 -11.754 11.470 1.00 0.00 H new ATOM 0 HA ILE A 23 6.311 -8.985 11.718 1.00 0.00 H new ATOM 0 HB ILE A 23 8.493 -8.242 12.599 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.591 -10.531 13.773 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.154 -11.061 12.161 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.219 -9.010 14.924 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.655 -8.608 14.175 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.140 -10.310 14.363 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.453 -10.227 12.216 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.438 -9.192 11.184 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.882 -8.654 12.821 1.00 0.00 H new ATOM 343 N ARG A 24 7.592 -8.486 9.625 1.00 0.00 N ATOM 344 CA ARG A 24 8.185 -8.277 8.309 1.00 0.00 C ATOM 345 C ARG A 24 9.191 -7.130 8.342 1.00 0.00 C ATOM 346 O ARG A 24 8.866 -6.018 8.754 1.00 0.00 O ATOM 347 CB ARG A 24 7.095 -7.985 7.276 1.00 0.00 C ATOM 348 CG ARG A 24 5.992 -9.029 7.242 1.00 0.00 C ATOM 349 CD ARG A 24 5.148 -8.907 5.984 1.00 0.00 C ATOM 350 NE ARG A 24 4.376 -10.120 5.722 1.00 0.00 N ATOM 351 CZ ARG A 24 3.519 -10.242 4.715 1.00 0.00 C ATOM 352 NH1 ARG A 24 3.325 -9.232 3.878 1.00 0.00 N ATOM 353 NH2 ARG A 24 2.854 -11.378 4.543 1.00 0.00 N ATOM 0 H ARG A 24 6.981 -7.731 9.937 1.00 0.00 H new ATOM 0 HA ARG A 24 8.710 -9.189 8.025 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.655 -7.011 7.490 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.551 -7.918 6.288 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.431 -10.025 7.292 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.356 -8.917 8.120 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.469 -8.060 6.084 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.795 -8.698 5.132 1.00 0.00 H new ATOM 0 HE ARG A 24 4.502 -10.916 6.347 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.835 -8.358 4.007 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.666 -9.329 3.106 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.001 -12.157 5.184 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.196 -11.472 3.769 1.00 0.00 H new ATOM 367 N MET A 25 10.414 -7.411 7.904 1.00 0.00 N ATOM 368 CA MET A 25 11.468 -6.402 7.883 1.00 0.00 C ATOM 369 C MET A 25 12.267 -6.479 6.586 1.00 0.00 C ATOM 370 O MET A 25 12.286 -7.512 5.918 1.00 0.00 O ATOM 371 CB MET A 25 12.400 -6.583 9.082 1.00 0.00 C ATOM 372 CG MET A 25 11.667 -6.823 10.391 1.00 0.00 C ATOM 373 SD MET A 25 12.774 -6.842 11.814 1.00 0.00 S ATOM 374 CE MET A 25 13.652 -8.379 11.540 1.00 0.00 C ATOM 0 H MET A 25 10.700 -8.327 7.559 1.00 0.00 H new ATOM 0 HA MET A 25 10.999 -5.420 7.942 1.00 0.00 H new ATOM 0 HB2 MET A 25 13.067 -7.423 8.889 1.00 0.00 H new ATOM 0 HB3 MET A 25 13.025 -5.696 9.183 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.916 -6.045 10.530 1.00 0.00 H new ATOM 0 HG3 MET A 25 11.136 -7.773 10.336 1.00 0.00 H new ATOM 0 HE1 MET A 25 13.591 -8.997 12.436 1.00 0.00 H new ATOM 0 HE2 MET A 25 13.203 -8.910 10.701 1.00 0.00 H new ATOM 0 HE3 MET A 25 14.697 -8.166 11.316 1.00 0.00 H new ATOM 384 N MET A 26 12.925 -5.379 6.236 1.00 0.00 N ATOM 385 CA MET A 26 13.727 -5.323 5.019 1.00 0.00 C ATOM 386 C MET A 26 15.134 -4.816 5.318 1.00 0.00 C ATOM 387 O MET A 26 15.319 -3.913 6.134 1.00 0.00 O ATOM 388 CB MET A 26 13.057 -4.419 3.982 1.00 0.00 C ATOM 389 CG MET A 26 12.943 -2.969 4.423 1.00 0.00 C ATOM 390 SD MET A 26 13.734 -1.829 3.271 1.00 0.00 S ATOM 391 CE MET A 26 13.116 -0.259 3.870 1.00 0.00 C ATOM 0 H MET A 26 12.919 -4.515 6.777 1.00 0.00 H new ATOM 0 HA MET A 26 13.801 -6.333 4.616 1.00 0.00 H new ATOM 0 HB2 MET A 26 13.624 -4.464 3.052 1.00 0.00 H new ATOM 0 HB3 MET A 26 12.060 -4.804 3.766 1.00 0.00 H new ATOM 0 HG2 MET A 26 11.890 -2.706 4.524 1.00 0.00 H new ATOM 0 HG3 MET A 26 13.395 -2.856 5.408 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.110 0.465 3.055 1.00 0.00 H new ATOM 0 HE2 MET A 26 12.102 -0.388 4.248 1.00 0.00 H new ATOM 0 HE3 MET A 26 13.759 0.103 4.672 1.00 0.00 H new ATOM 401 N SER A 27 16.124 -5.404 4.653 1.00 0.00 N ATOM 402 CA SER A 27 17.515 -5.015 4.851 1.00 0.00 C ATOM 403 C SER A 27 17.685 -3.507 4.692 1.00 0.00 C ATOM 404 O SER A 27 17.598 -2.974 3.585 1.00 0.00 O ATOM 405 CB SER A 27 18.418 -5.749 3.859 1.00 0.00 C ATOM 406 OG SER A 27 17.852 -5.753 2.560 1.00 0.00 O ATOM 0 H SER A 27 15.988 -6.152 3.972 1.00 0.00 H new ATOM 0 HA SER A 27 17.803 -5.291 5.866 1.00 0.00 H new ATOM 0 HB2 SER A 27 19.397 -5.271 3.831 1.00 0.00 H new ATOM 0 HB3 SER A 27 18.574 -6.774 4.194 1.00 0.00 H new ATOM 0 HG SER A 27 17.528 -4.854 2.342 1.00 0.00 H new ATOM 412 N LEU A 28 17.928 -2.825 5.805 1.00 0.00 N ATOM 413 CA LEU A 28 18.111 -1.378 5.791 1.00 0.00 C ATOM 414 C LEU A 28 19.447 -1.004 5.157 1.00 0.00 C ATOM 415 O LEU A 28 20.486 -1.578 5.485 1.00 0.00 O ATOM 416 CB LEU A 28 18.035 -0.820 7.214 1.00 0.00 C ATOM 417 CG LEU A 28 16.986 0.266 7.454 1.00 0.00 C ATOM 418 CD1 LEU A 28 16.953 0.661 8.922 1.00 0.00 C ATOM 419 CD2 LEU A 28 17.266 1.480 6.580 1.00 0.00 C ATOM 0 H LEU A 28 18.003 -3.251 6.729 1.00 0.00 H new ATOM 0 HA LEU A 28 17.311 -0.942 5.193 1.00 0.00 H new ATOM 0 HB2 LEU A 28 17.836 -1.646 7.897 1.00 0.00 H new ATOM 0 HB3 LEU A 28 19.013 -0.417 7.477 1.00 0.00 H new ATOM 0 HG LEU A 28 16.009 -0.134 7.184 1.00 0.00 H new ATOM 0 HD11 LEU A 28 16.201 1.435 9.074 1.00 0.00 H new ATOM 0 HD12 LEU A 28 16.704 -0.210 9.528 1.00 0.00 H new ATOM 0 HD13 LEU A 28 17.930 1.042 9.218 1.00 0.00 H new ATOM 0 HD21 LEU A 28 16.510 2.243 6.764 1.00 0.00 H new ATOM 0 HD22 LEU A 28 18.251 1.881 6.819 1.00 0.00 H new ATOM 0 HD23 LEU A 28 17.238 1.187 5.530 1.00 0.00 H new ATOM 431 N THR A 29 19.414 -0.035 4.247 1.00 0.00 N ATOM 432 CA THR A 29 20.621 0.417 3.567 1.00 0.00 C ATOM 433 C THR A 29 20.945 1.863 3.925 1.00 0.00 C ATOM 434 O THR A 29 20.059 2.636 4.288 1.00 0.00 O ATOM 435 CB THR A 29 20.483 0.297 2.037 1.00 0.00 C ATOM 436 OG1 THR A 29 19.586 1.300 1.547 1.00 0.00 O ATOM 437 CG2 THR A 29 19.973 -1.081 1.646 1.00 0.00 C ATOM 0 H THR A 29 18.564 0.452 3.964 1.00 0.00 H new ATOM 0 HA THR A 29 21.433 -0.228 3.903 1.00 0.00 H new ATOM 0 HB THR A 29 21.468 0.442 1.593 1.00 0.00 H new ATOM 0 HG1 THR A 29 20.057 1.878 0.911 1.00 0.00 H new ATOM 0 HG21 THR A 29 19.884 -1.142 0.561 1.00 0.00 H new ATOM 0 HG22 THR A 29 20.672 -1.840 1.996 1.00 0.00 H new ATOM 0 HG23 THR A 29 18.997 -1.250 2.100 1.00 0.00 H new ATOM 445 N SER A 30 22.220 2.222 3.820 1.00 0.00 N ATOM 446 CA SER A 30 22.662 3.575 4.136 1.00 0.00 C ATOM 447 C SER A 30 21.879 4.605 3.327 1.00 0.00 C ATOM 448 O SER A 30 21.721 5.751 3.747 1.00 0.00 O ATOM 449 CB SER A 30 24.159 3.724 3.859 1.00 0.00 C ATOM 450 OG SER A 30 24.592 2.794 2.881 1.00 0.00 O ATOM 0 H SER A 30 22.966 1.595 3.518 1.00 0.00 H new ATOM 0 HA SER A 30 22.477 3.753 5.195 1.00 0.00 H new ATOM 0 HB2 SER A 30 24.370 4.738 3.520 1.00 0.00 H new ATOM 0 HB3 SER A 30 24.719 3.574 4.782 1.00 0.00 H new ATOM 0 HG SER A 30 25.552 2.911 2.721 1.00 0.00 H new ATOM 456 N SER A 31 21.391 4.187 2.163 1.00 0.00 N ATOM 457 CA SER A 31 20.628 5.073 1.292 1.00 0.00 C ATOM 458 C SER A 31 19.152 5.074 1.678 1.00 0.00 C ATOM 459 O SER A 31 18.487 6.110 1.636 1.00 0.00 O ATOM 460 CB SER A 31 20.785 4.646 -0.168 1.00 0.00 C ATOM 461 OG SER A 31 21.416 5.660 -0.931 1.00 0.00 O ATOM 0 H SER A 31 21.511 3.241 1.802 1.00 0.00 H new ATOM 0 HA SER A 31 21.018 6.084 1.411 1.00 0.00 H new ATOM 0 HB2 SER A 31 21.371 3.729 -0.221 1.00 0.00 H new ATOM 0 HB3 SER A 31 19.806 4.423 -0.592 1.00 0.00 H new ATOM 0 HG SER A 31 21.506 5.362 -1.860 1.00 0.00 H new ATOM 467 N LYS A 32 18.644 3.905 2.053 1.00 0.00 N ATOM 468 CA LYS A 32 17.247 3.769 2.448 1.00 0.00 C ATOM 469 C LYS A 32 16.974 4.513 3.751 1.00 0.00 C ATOM 470 O LYS A 32 15.940 5.163 3.901 1.00 0.00 O ATOM 471 CB LYS A 32 16.882 2.291 2.606 1.00 0.00 C ATOM 472 CG LYS A 32 15.407 2.054 2.881 1.00 0.00 C ATOM 473 CD LYS A 32 14.556 2.364 1.661 1.00 0.00 C ATOM 474 CE LYS A 32 14.501 1.182 0.705 1.00 0.00 C ATOM 475 NZ LYS A 32 13.110 0.896 0.257 1.00 0.00 N ATOM 0 H LYS A 32 19.179 3.038 2.092 1.00 0.00 H new ATOM 0 HA LYS A 32 16.630 4.208 1.664 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.164 1.757 1.699 1.00 0.00 H new ATOM 0 HB3 LYS A 32 17.468 1.866 3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 32 15.253 1.017 3.179 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.087 2.676 3.717 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.546 2.625 1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.962 3.233 1.144 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.127 1.388 -0.163 1.00 0.00 H new ATOM 0 HE3 LYS A 32 14.914 0.300 1.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.134 0.411 -0.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.638 0.288 0.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.585 1.789 0.164 1.00 0.00 H new ATOM 489 N ALA A 33 17.910 4.414 4.690 1.00 0.00 N ATOM 490 CA ALA A 33 17.771 5.081 5.979 1.00 0.00 C ATOM 491 C ALA A 33 17.874 6.595 5.828 1.00 0.00 C ATOM 492 O ALA A 33 17.074 7.341 6.391 1.00 0.00 O ATOM 493 CB ALA A 33 18.825 4.573 6.951 1.00 0.00 C ATOM 0 H ALA A 33 18.772 3.879 4.582 1.00 0.00 H new ATOM 0 HA ALA A 33 16.783 4.849 6.376 1.00 0.00 H new ATOM 0 HB1 ALA A 33 18.710 5.079 7.910 1.00 0.00 H new ATOM 0 HB2 ALA A 33 18.703 3.499 7.091 1.00 0.00 H new ATOM 0 HB3 ALA A 33 19.818 4.776 6.550 1.00 0.00 H new ATOM 499 N LYS A 34 18.864 7.042 5.063 1.00 0.00 N ATOM 500 CA LYS A 34 19.072 8.468 4.837 1.00 0.00 C ATOM 501 C LYS A 34 17.854 9.096 4.167 1.00 0.00 C ATOM 502 O LYS A 34 17.559 10.272 4.374 1.00 0.00 O ATOM 503 CB LYS A 34 20.315 8.692 3.972 1.00 0.00 C ATOM 504 CG LYS A 34 21.509 9.219 4.749 1.00 0.00 C ATOM 505 CD LYS A 34 22.780 9.174 3.917 1.00 0.00 C ATOM 506 CE LYS A 34 22.664 10.046 2.675 1.00 0.00 C ATOM 507 NZ LYS A 34 23.881 10.876 2.465 1.00 0.00 N ATOM 0 H LYS A 34 19.535 6.438 4.589 1.00 0.00 H new ATOM 0 HA LYS A 34 19.219 8.946 5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 34 20.589 7.751 3.494 1.00 0.00 H new ATOM 0 HB3 LYS A 34 20.071 9.395 3.175 1.00 0.00 H new ATOM 0 HG2 LYS A 34 21.315 10.244 5.064 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.645 8.628 5.655 1.00 0.00 H new ATOM 0 HD2 LYS A 34 23.623 9.509 4.521 1.00 0.00 H new ATOM 0 HD3 LYS A 34 22.987 8.145 3.623 1.00 0.00 H new ATOM 0 HE2 LYS A 34 22.500 9.414 1.802 1.00 0.00 H new ATOM 0 HE3 LYS A 34 21.793 10.695 2.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 23.763 11.455 1.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 24.024 11.497 3.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 24.709 10.256 2.352 1.00 0.00 H new ATOM 521 N GLU A 35 17.151 8.302 3.365 1.00 0.00 N ATOM 522 CA GLU A 35 15.964 8.782 2.666 1.00 0.00 C ATOM 523 C GLU A 35 14.713 8.578 3.515 1.00 0.00 C ATOM 524 O GLU A 35 13.723 9.295 3.364 1.00 0.00 O ATOM 525 CB GLU A 35 15.808 8.060 1.326 1.00 0.00 C ATOM 526 CG GLU A 35 16.954 8.312 0.361 1.00 0.00 C ATOM 527 CD GLU A 35 16.839 9.649 -0.344 1.00 0.00 C ATOM 528 OE1 GLU A 35 17.278 10.664 0.236 1.00 0.00 O ATOM 529 OE2 GLU A 35 16.312 9.681 -1.475 1.00 0.00 O ATOM 0 H GLU A 35 17.382 7.325 3.183 1.00 0.00 H new ATOM 0 HA GLU A 35 16.088 9.849 2.483 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.726 6.988 1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.875 8.376 0.859 1.00 0.00 H new ATOM 0 HG2 GLU A 35 17.898 8.272 0.905 1.00 0.00 H new ATOM 0 HG3 GLU A 35 16.981 7.515 -0.382 1.00 0.00 H new ATOM 536 N LEU A 36 14.765 7.596 4.408 1.00 0.00 N ATOM 537 CA LEU A 36 13.636 7.296 5.282 1.00 0.00 C ATOM 538 C LEU A 36 13.416 8.419 6.291 1.00 0.00 C ATOM 539 O LEU A 36 12.292 8.660 6.733 1.00 0.00 O ATOM 540 CB LEU A 36 13.870 5.974 6.015 1.00 0.00 C ATOM 541 CG LEU A 36 13.320 4.721 5.333 1.00 0.00 C ATOM 542 CD1 LEU A 36 13.748 3.472 6.086 1.00 0.00 C ATOM 543 CD2 LEU A 36 11.803 4.792 5.231 1.00 0.00 C ATOM 0 H LEU A 36 15.577 6.994 4.546 1.00 0.00 H new ATOM 0 HA LEU A 36 12.743 7.208 4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 36 14.943 5.845 6.156 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.425 6.048 7.007 1.00 0.00 H new ATOM 0 HG LEU A 36 13.730 4.670 4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.347 2.590 5.586 1.00 0.00 H new ATOM 0 HD12 LEU A 36 14.836 3.414 6.106 1.00 0.00 H new ATOM 0 HD13 LEU A 36 13.368 3.514 7.107 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.429 3.892 4.743 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.374 4.868 6.230 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.518 5.667 4.647 1.00 0.00 H new ATOM 555 N LYS A 37 14.496 9.104 6.651 1.00 0.00 N ATOM 556 CA LYS A 37 14.421 10.203 7.606 1.00 0.00 C ATOM 557 C LYS A 37 13.933 11.480 6.929 1.00 0.00 C ATOM 558 O LYS A 37 13.317 12.335 7.565 1.00 0.00 O ATOM 559 CB LYS A 37 15.791 10.445 8.245 1.00 0.00 C ATOM 560 CG LYS A 37 15.718 11.122 9.602 1.00 0.00 C ATOM 561 CD LYS A 37 16.925 10.782 10.461 1.00 0.00 C ATOM 562 CE LYS A 37 17.013 11.685 11.682 1.00 0.00 C ATOM 563 NZ LYS A 37 18.376 12.261 11.849 1.00 0.00 N ATOM 0 H LYS A 37 15.434 8.917 6.296 1.00 0.00 H new ATOM 0 HA LYS A 37 13.707 9.928 8.383 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.306 9.491 8.352 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.392 11.059 7.574 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.658 12.202 9.468 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.807 10.814 10.115 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.864 9.742 10.780 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.834 10.881 9.868 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.286 12.492 11.590 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.747 11.117 12.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.767 11.966 12.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.993 11.921 11.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.321 13.299 11.813 1.00 0.00 H new ATOM 577 N ASP A 38 14.210 11.601 5.635 1.00 0.00 N ATOM 578 CA ASP A 38 13.796 12.772 4.871 1.00 0.00 C ATOM 579 C ASP A 38 12.318 12.686 4.504 1.00 0.00 C ATOM 580 O ASP A 38 11.647 13.707 4.347 1.00 0.00 O ATOM 581 CB ASP A 38 14.642 12.905 3.604 1.00 0.00 C ATOM 582 CG ASP A 38 14.679 14.328 3.079 1.00 0.00 C ATOM 583 OD1 ASP A 38 14.999 15.243 3.867 1.00 0.00 O ATOM 584 OD2 ASP A 38 14.389 14.525 1.881 1.00 0.00 O ATOM 0 H ASP A 38 14.719 10.903 5.094 1.00 0.00 H new ATOM 0 HA ASP A 38 13.947 13.654 5.493 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.658 12.571 3.813 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.242 12.247 2.833 1.00 0.00 H new ATOM 589 N ARG A 39 11.817 11.463 4.367 1.00 0.00 N ATOM 590 CA ARG A 39 10.419 11.245 4.016 1.00 0.00 C ATOM 591 C ARG A 39 9.575 11.009 5.266 1.00 0.00 C ATOM 592 O ARG A 39 8.425 11.443 5.342 1.00 0.00 O ATOM 593 CB ARG A 39 10.290 10.051 3.068 1.00 0.00 C ATOM 594 CG ARG A 39 10.518 10.407 1.607 1.00 0.00 C ATOM 595 CD ARG A 39 11.998 10.410 1.260 1.00 0.00 C ATOM 596 NE ARG A 39 12.234 10.811 -0.125 1.00 0.00 N ATOM 597 CZ ARG A 39 13.401 11.261 -0.571 1.00 0.00 C ATOM 598 NH1 ARG A 39 14.434 11.367 0.254 1.00 0.00 N ATOM 599 NH2 ARG A 39 13.538 11.606 -1.845 1.00 0.00 N ATOM 0 H ARG A 39 12.358 10.608 4.494 1.00 0.00 H new ATOM 0 HA ARG A 39 10.052 12.140 3.514 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.007 9.284 3.363 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.296 9.617 3.177 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.995 9.692 0.971 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.092 11.389 1.400 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.526 11.089 1.929 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.411 9.415 1.425 1.00 0.00 H new ATOM 0 HE ARG A 39 11.460 10.741 -0.786 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.333 11.103 1.234 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.329 11.713 -0.091 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.746 11.526 -2.483 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.435 11.952 -2.186 1.00 0.00 H new ATOM 613 N HIS A 40 10.154 10.317 6.242 1.00 0.00 N ATOM 614 CA HIS A 40 9.455 10.024 7.489 1.00 0.00 C ATOM 615 C HIS A 40 10.077 10.788 8.653 1.00 0.00 C ATOM 616 O HIS A 40 11.093 10.372 9.210 1.00 0.00 O ATOM 617 CB HIS A 40 9.487 8.522 7.774 1.00 0.00 C ATOM 618 CG HIS A 40 9.128 7.679 6.589 1.00 0.00 C ATOM 619 ND1 HIS A 40 9.828 7.382 5.469 1.00 0.00 N flip ATOM 620 CD2 HIS A 40 7.918 7.031 6.466 1.00 0.00 C flip ATOM 621 CE1 HIS A 40 9.037 6.567 4.698 1.00 0.00 C flip ATOM 622 NE2 HIS A 40 7.889 6.370 5.322 1.00 0.00 N flip ATOM 0 H HIS A 40 11.104 9.949 6.194 1.00 0.00 H new ATOM 0 HA HIS A 40 8.419 10.344 7.380 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.485 8.247 8.116 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.798 8.301 8.589 1.00 0.00 H new ATOM 0 HD2 HIS A 40 7.118 7.059 7.191 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.309 6.154 3.738 1.00 0.00 H new ATOM 0 HE2 HIS A 40 7.113 5.804 4.979 1.00 0.00 H new ATOM 630 N ARG A 41 9.460 11.908 9.016 1.00 0.00 N ATOM 631 CA ARG A 41 9.955 12.731 10.113 1.00 0.00 C ATOM 632 C ARG A 41 9.876 11.977 11.437 1.00 0.00 C ATOM 633 O ARG A 41 10.626 12.263 12.371 1.00 0.00 O ATOM 634 CB ARG A 41 9.152 14.030 10.206 1.00 0.00 C ATOM 635 CG ARG A 41 9.657 14.983 11.277 1.00 0.00 C ATOM 636 CD ARG A 41 11.025 15.545 10.923 1.00 0.00 C ATOM 637 NE ARG A 41 11.379 16.690 11.758 1.00 0.00 N ATOM 638 CZ ARG A 41 10.820 17.889 11.638 1.00 0.00 C ATOM 639 NH1 ARG A 41 9.885 18.098 10.722 1.00 0.00 N ATOM 640 NH2 ARG A 41 11.196 18.881 12.435 1.00 0.00 N ATOM 0 H ARG A 41 8.617 12.266 8.567 1.00 0.00 H new ATOM 0 HA ARG A 41 10.999 12.970 9.912 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.180 14.535 9.240 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.109 13.788 10.409 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.948 15.801 11.401 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.713 14.461 12.233 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.778 14.766 11.038 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.034 15.844 9.875 1.00 0.00 H new ATOM 0 HE ARG A 41 12.095 16.562 12.473 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.594 17.337 10.108 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.457 19.019 10.631 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.915 18.723 13.141 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.766 19.801 12.342 1.00 0.00 H new ATOM 654 N ASP A 42 8.964 11.014 11.510 1.00 0.00 N ATOM 655 CA ASP A 42 8.788 10.218 12.719 1.00 0.00 C ATOM 656 C ASP A 42 10.021 9.363 12.992 1.00 0.00 C ATOM 657 O ASP A 42 10.319 9.031 14.139 1.00 0.00 O ATOM 658 CB ASP A 42 7.552 9.326 12.593 1.00 0.00 C ATOM 659 CG ASP A 42 6.271 10.059 12.942 1.00 0.00 C ATOM 660 OD1 ASP A 42 6.358 11.181 13.485 1.00 0.00 O ATOM 661 OD2 ASP A 42 5.182 9.511 12.671 1.00 0.00 O ATOM 0 H ASP A 42 8.335 10.766 10.746 1.00 0.00 H new ATOM 0 HA ASP A 42 8.650 10.902 13.557 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.484 8.946 11.573 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.663 8.462 13.248 1.00 0.00 H new ATOM 666 N PHE A 43 10.736 9.008 11.929 1.00 0.00 N ATOM 667 CA PHE A 43 11.936 8.190 12.052 1.00 0.00 C ATOM 668 C PHE A 43 12.897 8.785 13.078 1.00 0.00 C ATOM 669 O PHE A 43 13.093 9.998 13.151 1.00 0.00 O ATOM 670 CB PHE A 43 12.634 8.062 10.697 1.00 0.00 C ATOM 671 CG PHE A 43 13.101 6.668 10.392 1.00 0.00 C ATOM 672 CD1 PHE A 43 12.197 5.686 10.021 1.00 0.00 C ATOM 673 CD2 PHE A 43 14.444 6.339 10.476 1.00 0.00 C ATOM 674 CE1 PHE A 43 12.624 4.401 9.740 1.00 0.00 C ATOM 675 CE2 PHE A 43 14.878 5.056 10.197 1.00 0.00 C ATOM 676 CZ PHE A 43 13.966 4.086 9.828 1.00 0.00 C ATOM 0 H PHE A 43 10.504 9.275 10.972 1.00 0.00 H new ATOM 0 HA PHE A 43 11.636 7.199 12.393 1.00 0.00 H new ATOM 0 HB2 PHE A 43 11.950 8.387 9.913 1.00 0.00 H new ATOM 0 HB3 PHE A 43 13.490 8.737 10.673 1.00 0.00 H new ATOM 0 HD1 PHE A 43 11.147 5.927 9.950 1.00 0.00 H new ATOM 0 HD2 PHE A 43 15.161 7.094 10.763 1.00 0.00 H new ATOM 0 HE1 PHE A 43 11.909 3.645 9.452 1.00 0.00 H new ATOM 0 HE2 PHE A 43 15.928 4.813 10.267 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.302 3.083 9.609 1.00 0.00 H new ATOM 686 N PRO A 44 13.511 7.912 13.889 1.00 0.00 N ATOM 687 CA PRO A 44 14.461 8.327 14.925 1.00 0.00 C ATOM 688 C PRO A 44 15.768 8.849 14.338 1.00 0.00 C ATOM 689 O PRO A 44 15.876 9.060 13.130 1.00 0.00 O ATOM 690 CB PRO A 44 14.707 7.040 15.717 1.00 0.00 C ATOM 691 CG PRO A 44 14.420 5.941 14.753 1.00 0.00 C ATOM 692 CD PRO A 44 13.325 6.451 13.858 1.00 0.00 C ATOM 0 HA PRO A 44 14.073 9.148 15.528 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.733 6.989 16.081 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.056 6.981 16.589 1.00 0.00 H new ATOM 0 HG2 PRO A 44 15.309 5.686 14.176 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.108 5.036 15.274 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.416 6.056 12.846 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.340 6.164 14.225 1.00 0.00 H new ATOM 700 N ASP A 45 16.758 9.054 15.199 1.00 0.00 N ATOM 701 CA ASP A 45 18.059 9.550 14.765 1.00 0.00 C ATOM 702 C ASP A 45 19.020 8.395 14.501 1.00 0.00 C ATOM 703 O ASP A 45 20.188 8.445 14.888 1.00 0.00 O ATOM 704 CB ASP A 45 18.648 10.490 15.818 1.00 0.00 C ATOM 705 CG ASP A 45 19.882 11.216 15.320 1.00 0.00 C ATOM 706 OD1 ASP A 45 19.838 11.760 14.197 1.00 0.00 O ATOM 707 OD2 ASP A 45 20.892 11.241 16.054 1.00 0.00 O ATOM 0 H ASP A 45 16.685 8.884 16.202 1.00 0.00 H new ATOM 0 HA ASP A 45 17.918 10.102 13.836 1.00 0.00 H new ATOM 0 HB2 ASP A 45 17.894 11.220 16.111 1.00 0.00 H new ATOM 0 HB3 ASP A 45 18.902 9.918 16.710 1.00 0.00 H new ATOM 712 N VAL A 46 18.521 7.355 13.841 1.00 0.00 N ATOM 713 CA VAL A 46 19.335 6.187 13.526 1.00 0.00 C ATOM 714 C VAL A 46 19.208 5.809 12.055 1.00 0.00 C ATOM 715 O VAL A 46 18.258 6.208 11.381 1.00 0.00 O ATOM 716 CB VAL A 46 18.939 4.976 14.392 1.00 0.00 C ATOM 717 CG1 VAL A 46 18.975 5.340 15.868 1.00 0.00 C ATOM 718 CG2 VAL A 46 17.562 4.465 13.994 1.00 0.00 C ATOM 0 H VAL A 46 17.557 7.297 13.514 1.00 0.00 H new ATOM 0 HA VAL A 46 20.369 6.455 13.741 1.00 0.00 H new ATOM 0 HB VAL A 46 19.661 4.178 14.222 1.00 0.00 H new ATOM 0 HG11 VAL A 46 18.692 4.472 16.464 1.00 0.00 H new ATOM 0 HG12 VAL A 46 19.982 5.655 16.141 1.00 0.00 H new ATOM 0 HG13 VAL A 46 18.276 6.154 16.059 1.00 0.00 H new ATOM 0 HG21 VAL A 46 17.298 3.609 14.616 1.00 0.00 H new ATOM 0 HG22 VAL A 46 16.826 5.256 14.134 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.575 4.163 12.947 1.00 0.00 H new ATOM 728 N ILE A 47 20.171 5.038 11.562 1.00 0.00 N ATOM 729 CA ILE A 47 20.166 4.605 10.170 1.00 0.00 C ATOM 730 C ILE A 47 20.904 3.281 10.003 1.00 0.00 C ATOM 731 O ILE A 47 21.479 3.007 8.950 1.00 0.00 O ATOM 732 CB ILE A 47 20.811 5.659 9.251 1.00 0.00 C ATOM 733 CG1 ILE A 47 22.148 6.125 9.831 1.00 0.00 C ATOM 734 CG2 ILE A 47 19.871 6.839 9.057 1.00 0.00 C ATOM 735 CD1 ILE A 47 23.085 6.708 8.798 1.00 0.00 C ATOM 0 H ILE A 47 20.965 4.700 12.106 1.00 0.00 H new ATOM 0 HA ILE A 47 19.122 4.475 9.884 1.00 0.00 H new ATOM 0 HB ILE A 47 20.998 5.205 8.278 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.960 6.873 10.602 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.637 5.281 10.318 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.341 7.575 8.405 1.00 0.00 H new ATOM 0 HG22 ILE A 47 18.942 6.493 8.603 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.655 7.295 10.023 1.00 0.00 H new ATOM 0 HD11 ILE A 47 24.012 7.017 9.281 1.00 0.00 H new ATOM 0 HD12 ILE A 47 23.304 5.956 8.040 1.00 0.00 H new ATOM 0 HD13 ILE A 47 22.616 7.572 8.328 1.00 0.00 H new ATOM 747 N SER A 48 20.883 2.462 11.050 1.00 0.00 N ATOM 748 CA SER A 48 21.552 1.167 11.021 1.00 0.00 C ATOM 749 C SER A 48 20.868 0.180 11.962 1.00 0.00 C ATOM 750 O SER A 48 20.918 0.333 13.182 1.00 0.00 O ATOM 751 CB SER A 48 23.024 1.321 11.407 1.00 0.00 C ATOM 752 OG SER A 48 23.681 2.246 10.558 1.00 0.00 O ATOM 0 H SER A 48 20.410 2.673 11.929 1.00 0.00 H new ATOM 0 HA SER A 48 21.489 0.776 10.005 1.00 0.00 H new ATOM 0 HB2 SER A 48 23.099 1.656 12.442 1.00 0.00 H new ATOM 0 HB3 SER A 48 23.521 0.353 11.349 1.00 0.00 H new ATOM 0 HG SER A 48 24.620 2.327 10.827 1.00 0.00 H new ATOM 758 N GLY A 49 20.228 -0.833 11.385 1.00 0.00 N ATOM 759 CA GLY A 49 19.543 -1.830 12.186 1.00 0.00 C ATOM 760 C GLY A 49 18.495 -2.588 11.396 1.00 0.00 C ATOM 761 O GLY A 49 18.676 -2.855 10.209 1.00 0.00 O ATOM 0 H GLY A 49 20.172 -0.981 10.377 1.00 0.00 H new ATOM 0 HA2 GLY A 49 20.272 -2.535 12.585 1.00 0.00 H new ATOM 0 HA3 GLY A 49 19.069 -1.344 13.039 1.00 0.00 H new ATOM 765 N ALA A 50 17.396 -2.937 12.056 1.00 0.00 N ATOM 766 CA ALA A 50 16.315 -3.669 11.408 1.00 0.00 C ATOM 767 C ALA A 50 15.062 -2.808 11.290 1.00 0.00 C ATOM 768 O ALA A 50 14.497 -2.376 12.296 1.00 0.00 O ATOM 769 CB ALA A 50 16.009 -4.948 12.174 1.00 0.00 C ATOM 0 H ALA A 50 17.231 -2.724 13.040 1.00 0.00 H new ATOM 0 HA ALA A 50 16.640 -3.931 10.401 1.00 0.00 H new ATOM 0 HB1 ALA A 50 15.200 -5.484 11.678 1.00 0.00 H new ATOM 0 HB2 ALA A 50 16.898 -5.578 12.201 1.00 0.00 H new ATOM 0 HB3 ALA A 50 15.709 -4.700 13.192 1.00 0.00 H new ATOM 775 N TYR A 51 14.632 -2.562 10.058 1.00 0.00 N ATOM 776 CA TYR A 51 13.447 -1.749 9.809 1.00 0.00 C ATOM 777 C TYR A 51 12.197 -2.620 9.727 1.00 0.00 C ATOM 778 O TYR A 51 12.116 -3.532 8.903 1.00 0.00 O ATOM 779 CB TYR A 51 13.613 -0.951 8.515 1.00 0.00 C ATOM 780 CG TYR A 51 12.354 -0.235 8.080 1.00 0.00 C ATOM 781 CD1 TYR A 51 11.904 0.891 8.758 1.00 0.00 C ATOM 782 CD2 TYR A 51 11.615 -0.685 6.993 1.00 0.00 C ATOM 783 CE1 TYR A 51 10.754 1.549 8.365 1.00 0.00 C ATOM 784 CE2 TYR A 51 10.465 -0.033 6.592 1.00 0.00 C ATOM 785 CZ TYR A 51 10.039 1.083 7.281 1.00 0.00 C ATOM 786 OH TYR A 51 8.893 1.735 6.886 1.00 0.00 O ATOM 0 H TYR A 51 15.086 -2.914 9.215 1.00 0.00 H new ATOM 0 HA TYR A 51 13.331 -1.056 10.642 1.00 0.00 H new ATOM 0 HB2 TYR A 51 14.409 -0.219 8.649 1.00 0.00 H new ATOM 0 HB3 TYR A 51 13.931 -1.626 7.720 1.00 0.00 H new ATOM 0 HD1 TYR A 51 12.462 1.258 9.606 1.00 0.00 H new ATOM 0 HD2 TYR A 51 11.945 -1.560 6.452 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.417 2.423 8.903 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.903 -0.395 5.744 1.00 0.00 H new ATOM 0 HH TYR A 51 8.510 1.280 6.107 1.00 0.00 H new ATOM 796 N ILE A 52 11.226 -2.332 10.586 1.00 0.00 N ATOM 797 CA ILE A 52 9.979 -3.087 10.610 1.00 0.00 C ATOM 798 C ILE A 52 8.963 -2.501 9.636 1.00 0.00 C ATOM 799 O ILE A 52 8.535 -1.355 9.783 1.00 0.00 O ATOM 800 CB ILE A 52 9.364 -3.112 12.022 1.00 0.00 C ATOM 801 CG1 ILE A 52 10.341 -3.744 13.016 1.00 0.00 C ATOM 802 CG2 ILE A 52 8.046 -3.872 12.011 1.00 0.00 C ATOM 803 CD1 ILE A 52 9.808 -3.805 14.430 1.00 0.00 C ATOM 0 H ILE A 52 11.278 -1.581 11.275 1.00 0.00 H new ATOM 0 HA ILE A 52 10.221 -4.106 10.309 1.00 0.00 H new ATOM 0 HB ILE A 52 9.168 -2.087 12.336 1.00 0.00 H new ATOM 0 HG12 ILE A 52 10.583 -4.753 12.684 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.271 -3.175 13.011 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.623 -3.881 13.016 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.350 -3.384 11.329 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.219 -4.896 11.681 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.553 -4.264 15.080 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.593 -2.796 14.781 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.894 -4.399 14.449 1.00 0.00 H new ATOM 815 N ILE A 53 8.580 -3.294 8.641 1.00 0.00 N ATOM 816 CA ILE A 53 7.611 -2.855 7.644 1.00 0.00 C ATOM 817 C ILE A 53 6.185 -3.151 8.096 1.00 0.00 C ATOM 818 O ILE A 53 5.242 -2.474 7.688 1.00 0.00 O ATOM 819 CB ILE A 53 7.858 -3.532 6.283 1.00 0.00 C ATOM 820 CG1 ILE A 53 9.338 -3.441 5.905 1.00 0.00 C ATOM 821 CG2 ILE A 53 6.990 -2.894 5.209 1.00 0.00 C ATOM 822 CD1 ILE A 53 9.674 -4.146 4.609 1.00 0.00 C ATOM 0 H ILE A 53 8.926 -4.244 8.504 1.00 0.00 H new ATOM 0 HA ILE A 53 7.738 -1.778 7.533 1.00 0.00 H new ATOM 0 HB ILE A 53 7.587 -4.585 6.362 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.620 -2.391 5.822 1.00 0.00 H new ATOM 0 HG13 ILE A 53 9.937 -3.869 6.708 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.176 -3.383 4.253 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.939 -3.007 5.476 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.232 -1.834 5.127 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.739 -4.041 4.403 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.424 -5.203 4.695 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.102 -3.702 3.794 1.00 0.00 H new ATOM 834 N GLU A 54 6.036 -4.166 8.941 1.00 0.00 N ATOM 835 CA GLU A 54 4.724 -4.551 9.449 1.00 0.00 C ATOM 836 C GLU A 54 4.844 -5.687 10.460 1.00 0.00 C ATOM 837 O GLU A 54 5.649 -6.603 10.289 1.00 0.00 O ATOM 838 CB GLU A 54 3.811 -4.973 8.296 1.00 0.00 C ATOM 839 CG GLU A 54 2.466 -5.514 8.752 1.00 0.00 C ATOM 840 CD GLU A 54 1.330 -5.102 7.837 1.00 0.00 C ATOM 841 OE1 GLU A 54 1.585 -4.897 6.631 1.00 0.00 O ATOM 842 OE2 GLU A 54 0.187 -4.984 8.325 1.00 0.00 O ATOM 0 H GLU A 54 6.807 -4.736 9.288 1.00 0.00 H new ATOM 0 HA GLU A 54 4.288 -3.687 9.951 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.646 -4.117 7.642 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.317 -5.734 7.703 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.513 -6.602 8.799 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.260 -5.160 9.762 1.00 0.00 H new ATOM 849 N VAL A 55 4.038 -5.621 11.514 1.00 0.00 N ATOM 850 CA VAL A 55 4.052 -6.643 12.554 1.00 0.00 C ATOM 851 C VAL A 55 2.744 -7.426 12.572 1.00 0.00 C ATOM 852 O VAL A 55 1.714 -6.922 13.021 1.00 0.00 O ATOM 853 CB VAL A 55 4.288 -6.027 13.945 1.00 0.00 C ATOM 854 CG1 VAL A 55 3.341 -4.860 14.180 1.00 0.00 C ATOM 855 CG2 VAL A 55 4.127 -7.081 15.029 1.00 0.00 C ATOM 0 H VAL A 55 3.366 -4.870 11.671 1.00 0.00 H new ATOM 0 HA VAL A 55 4.874 -7.319 12.321 1.00 0.00 H new ATOM 0 HB VAL A 55 5.310 -5.649 13.987 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.523 -4.437 15.168 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.510 -4.096 13.422 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.310 -5.210 14.119 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.297 -6.628 16.005 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.118 -7.491 14.991 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.850 -7.881 14.869 1.00 0.00 H new ATOM 865 N ILE A 56 2.792 -8.660 12.083 1.00 0.00 N ATOM 866 CA ILE A 56 1.611 -9.513 12.045 1.00 0.00 C ATOM 867 C ILE A 56 0.920 -9.556 13.404 1.00 0.00 C ATOM 868 O ILE A 56 1.556 -9.707 14.447 1.00 0.00 O ATOM 869 CB ILE A 56 1.967 -10.950 11.617 1.00 0.00 C ATOM 870 CG1 ILE A 56 2.676 -10.940 10.262 1.00 0.00 C ATOM 871 CG2 ILE A 56 0.715 -11.811 11.560 1.00 0.00 C ATOM 872 CD1 ILE A 56 1.890 -10.242 9.174 1.00 0.00 C ATOM 0 H ILE A 56 3.636 -9.092 11.707 1.00 0.00 H new ATOM 0 HA ILE A 56 0.933 -9.081 11.309 1.00 0.00 H new ATOM 0 HB ILE A 56 2.644 -11.377 12.357 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.644 -10.450 10.371 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.871 -11.968 9.956 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.983 -12.823 11.256 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.248 -11.839 12.544 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.016 -11.389 10.838 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.453 -10.273 8.241 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.933 -10.745 9.037 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.717 -9.204 9.459 1.00 0.00 H new ATOM 884 N PRO A 57 -0.415 -9.423 13.393 1.00 0.00 N ATOM 885 CA PRO A 57 -1.222 -9.445 14.617 1.00 0.00 C ATOM 886 C PRO A 57 -1.267 -10.829 15.256 1.00 0.00 C ATOM 887 O PRO A 57 -0.936 -11.829 14.618 1.00 0.00 O ATOM 888 CB PRO A 57 -2.614 -9.035 14.131 1.00 0.00 C ATOM 889 CG PRO A 57 -2.643 -9.422 12.692 1.00 0.00 C ATOM 890 CD PRO A 57 -1.238 -9.240 12.187 1.00 0.00 C ATOM 0 HA PRO A 57 -0.814 -8.790 15.387 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.396 -9.545 14.694 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.778 -7.965 14.256 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.970 -10.455 12.572 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.342 -8.799 12.134 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.990 -9.971 11.417 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.094 -8.253 11.748 1.00 0.00 H new ATOM 898 N ASP A 58 -1.680 -10.879 16.518 1.00 0.00 N ATOM 899 CA ASP A 58 -1.770 -12.141 17.243 1.00 0.00 C ATOM 900 C ASP A 58 -0.391 -12.770 17.412 1.00 0.00 C ATOM 901 O ASP A 58 -0.260 -13.991 17.506 1.00 0.00 O ATOM 902 CB ASP A 58 -2.700 -13.110 16.510 1.00 0.00 C ATOM 903 CG ASP A 58 -3.242 -14.193 17.421 1.00 0.00 C ATOM 904 OD1 ASP A 58 -4.257 -13.940 18.103 1.00 0.00 O ATOM 905 OD2 ASP A 58 -2.652 -15.293 17.453 1.00 0.00 O ATOM 0 H ASP A 58 -1.958 -10.061 17.060 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.179 -11.935 18.232 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.531 -12.554 16.077 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.160 -13.571 15.683 1.00 0.00 H new ATOM 910 N THR A 59 0.637 -11.929 17.451 1.00 0.00 N ATOM 911 CA THR A 59 2.007 -12.402 17.607 1.00 0.00 C ATOM 912 C THR A 59 2.633 -11.860 18.886 1.00 0.00 C ATOM 913 O THR A 59 2.223 -10.828 19.419 1.00 0.00 O ATOM 914 CB THR A 59 2.882 -11.993 16.407 1.00 0.00 C ATOM 915 OG1 THR A 59 3.010 -10.568 16.356 1.00 0.00 O ATOM 916 CG2 THR A 59 2.285 -12.500 15.103 1.00 0.00 C ATOM 0 H THR A 59 0.547 -10.916 17.377 1.00 0.00 H new ATOM 0 HA THR A 59 1.962 -13.490 17.661 1.00 0.00 H new ATOM 0 HB THR A 59 3.867 -12.441 16.536 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.738 -10.247 15.471 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.921 -12.199 14.270 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.217 -13.587 15.133 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.289 -12.078 14.970 1.00 0.00 H new ATOM 924 N PRO A 60 3.653 -12.569 19.393 1.00 0.00 N ATOM 925 CA PRO A 60 4.359 -12.176 20.617 1.00 0.00 C ATOM 926 C PRO A 60 5.201 -10.920 20.422 1.00 0.00 C ATOM 927 O PRO A 60 5.754 -10.378 21.379 1.00 0.00 O ATOM 928 CB PRO A 60 5.256 -13.381 20.911 1.00 0.00 C ATOM 929 CG PRO A 60 5.465 -14.030 19.586 1.00 0.00 C ATOM 930 CD PRO A 60 4.195 -13.808 18.811 1.00 0.00 C ATOM 0 HA PRO A 60 3.670 -11.933 21.426 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.203 -13.071 21.354 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.783 -14.064 21.616 1.00 0.00 H new ATOM 0 HG2 PRO A 60 6.319 -13.594 19.068 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.671 -15.094 19.701 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.389 -13.699 17.744 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.503 -14.642 18.926 1.00 0.00 H new ATOM 938 N ALA A 61 5.294 -10.462 19.178 1.00 0.00 N ATOM 939 CA ALA A 61 6.067 -9.268 18.859 1.00 0.00 C ATOM 940 C ALA A 61 5.180 -8.028 18.844 1.00 0.00 C ATOM 941 O ALA A 61 5.599 -6.949 19.262 1.00 0.00 O ATOM 942 CB ALA A 61 6.767 -9.435 17.519 1.00 0.00 C ATOM 0 H ALA A 61 4.843 -10.900 18.374 1.00 0.00 H new ATOM 0 HA ALA A 61 6.820 -9.134 19.635 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.340 -8.536 17.294 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.439 -10.292 17.564 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.024 -9.597 16.738 1.00 0.00 H new ATOM 948 N GLU A 62 3.952 -8.190 18.359 1.00 0.00 N ATOM 949 CA GLU A 62 3.008 -7.081 18.289 1.00 0.00 C ATOM 950 C GLU A 62 2.689 -6.549 19.683 1.00 0.00 C ATOM 951 O GLU A 62 2.691 -5.340 19.913 1.00 0.00 O ATOM 952 CB GLU A 62 1.719 -7.524 17.593 1.00 0.00 C ATOM 953 CG GLU A 62 0.467 -6.876 18.161 1.00 0.00 C ATOM 954 CD GLU A 62 -0.715 -6.961 17.214 1.00 0.00 C ATOM 955 OE1 GLU A 62 -0.756 -6.177 16.244 1.00 0.00 O ATOM 956 OE2 GLU A 62 -1.598 -7.814 17.445 1.00 0.00 O ATOM 0 H GLU A 62 3.589 -9.077 18.010 1.00 0.00 H new ATOM 0 HA GLU A 62 3.469 -6.280 17.710 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.790 -7.289 16.531 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.626 -8.607 17.674 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.208 -7.359 19.103 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.674 -5.830 18.385 1.00 0.00 H new ATOM 963 N ALA A 63 2.414 -7.461 20.610 1.00 0.00 N ATOM 964 CA ALA A 63 2.095 -7.084 21.981 1.00 0.00 C ATOM 965 C ALA A 63 3.341 -6.620 22.728 1.00 0.00 C ATOM 966 O ALA A 63 3.280 -5.707 23.549 1.00 0.00 O ATOM 967 CB ALA A 63 1.443 -8.249 22.711 1.00 0.00 C ATOM 0 H ALA A 63 2.406 -8.466 20.436 1.00 0.00 H new ATOM 0 HA ALA A 63 1.393 -6.251 21.948 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.210 -7.953 23.734 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.524 -8.532 22.197 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.127 -9.098 22.726 1.00 0.00 H new ATOM 973 N GLY A 64 4.471 -7.257 22.436 1.00 0.00 N ATOM 974 CA GLY A 64 5.716 -6.896 23.089 1.00 0.00 C ATOM 975 C GLY A 64 6.033 -5.419 22.957 1.00 0.00 C ATOM 976 O GLY A 64 6.645 -4.827 23.845 1.00 0.00 O ATOM 0 H GLY A 64 4.547 -8.016 21.759 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.658 -7.159 24.145 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.531 -7.479 22.659 1.00 0.00 H new ATOM 980 N GLY A 65 5.616 -4.823 21.844 1.00 0.00 N ATOM 981 CA GLY A 65 5.870 -3.412 21.619 1.00 0.00 C ATOM 982 C GLY A 65 6.369 -3.130 20.216 1.00 0.00 C ATOM 983 O GLY A 65 6.318 -1.991 19.748 1.00 0.00 O ATOM 0 H GLY A 65 5.107 -5.292 21.095 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.954 -2.848 21.796 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.606 -3.059 22.341 1.00 0.00 H new ATOM 987 N LEU A 66 6.853 -4.167 19.542 1.00 0.00 N ATOM 988 CA LEU A 66 7.365 -4.025 18.183 1.00 0.00 C ATOM 989 C LEU A 66 6.272 -3.537 17.238 1.00 0.00 C ATOM 990 O LEU A 66 5.378 -4.295 16.861 1.00 0.00 O ATOM 991 CB LEU A 66 7.927 -5.359 17.687 1.00 0.00 C ATOM 992 CG LEU A 66 9.179 -5.868 18.403 1.00 0.00 C ATOM 993 CD1 LEU A 66 9.678 -7.151 17.757 1.00 0.00 C ATOM 994 CD2 LEU A 66 10.268 -4.805 18.393 1.00 0.00 C ATOM 0 H LEU A 66 6.902 -5.116 19.914 1.00 0.00 H new ATOM 0 HA LEU A 66 8.164 -3.284 18.197 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.148 -6.115 17.779 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.154 -5.262 16.625 1.00 0.00 H new ATOM 0 HG LEU A 66 8.920 -6.084 19.439 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.569 -7.499 18.279 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.902 -7.914 17.816 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.921 -6.961 16.712 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.151 -5.184 18.907 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.525 -4.557 17.363 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.908 -3.911 18.902 1.00 0.00 H new ATOM 1006 N LYS A 67 6.352 -2.267 16.855 1.00 0.00 N ATOM 1007 CA LYS A 67 5.372 -1.678 15.950 1.00 0.00 C ATOM 1008 C LYS A 67 5.985 -1.423 14.577 1.00 0.00 C ATOM 1009 O LYS A 67 7.161 -1.705 14.351 1.00 0.00 O ATOM 1010 CB LYS A 67 4.835 -0.368 16.531 1.00 0.00 C ATOM 1011 CG LYS A 67 3.701 -0.562 17.523 1.00 0.00 C ATOM 1012 CD LYS A 67 2.344 -0.388 16.860 1.00 0.00 C ATOM 1013 CE LYS A 67 1.278 0.010 17.868 1.00 0.00 C ATOM 1014 NZ LYS A 67 -0.062 0.151 17.233 1.00 0.00 N ATOM 0 H LYS A 67 7.085 -1.626 17.157 1.00 0.00 H new ATOM 0 HA LYS A 67 4.549 -2.383 15.836 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.650 0.163 17.023 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.488 0.266 15.715 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.767 -1.557 17.963 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.803 0.154 18.338 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.413 0.373 16.082 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.055 -1.318 16.371 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.228 -0.739 18.658 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.558 0.952 18.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.761 0.423 17.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.022 0.884 16.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.341 -0.755 16.806 1.00 0.00 H new ATOM 1028 N GLU A 68 5.179 -0.889 13.664 1.00 0.00 N ATOM 1029 CA GLU A 68 5.644 -0.597 12.313 1.00 0.00 C ATOM 1030 C GLU A 68 6.523 0.650 12.298 1.00 0.00 C ATOM 1031 O GLU A 68 6.416 1.509 13.173 1.00 0.00 O ATOM 1032 CB GLU A 68 4.453 -0.407 11.371 1.00 0.00 C ATOM 1033 CG GLU A 68 4.801 -0.602 9.904 1.00 0.00 C ATOM 1034 CD GLU A 68 3.574 -0.639 9.014 1.00 0.00 C ATOM 1035 OE1 GLU A 68 2.577 -1.281 9.403 1.00 0.00 O ATOM 1036 OE2 GLU A 68 3.612 -0.024 7.927 1.00 0.00 O ATOM 0 H GLU A 68 4.202 -0.650 13.835 1.00 0.00 H new ATOM 0 HA GLU A 68 6.239 -1.443 11.969 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.667 -1.110 11.646 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.047 0.595 11.510 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.457 0.206 9.579 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.358 -1.531 9.787 1.00 0.00 H new ATOM 1043 N ASN A 69 7.392 0.742 11.297 1.00 0.00 N ATOM 1044 CA ASN A 69 8.291 1.883 11.168 1.00 0.00 C ATOM 1045 C ASN A 69 9.248 1.959 12.353 1.00 0.00 C ATOM 1046 O ASN A 69 9.674 3.043 12.752 1.00 0.00 O ATOM 1047 CB ASN A 69 7.489 3.182 11.062 1.00 0.00 C ATOM 1048 CG ASN A 69 6.296 3.050 10.134 1.00 0.00 C ATOM 1049 OD1 ASN A 69 6.357 2.353 9.121 1.00 0.00 O ATOM 1050 ND2 ASN A 69 5.203 3.722 10.477 1.00 0.00 N ATOM 0 H ASN A 69 7.493 0.040 10.563 1.00 0.00 H new ATOM 0 HA ASN A 69 8.877 1.750 10.259 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.144 3.475 12.054 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.139 3.979 10.702 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.369 3.673 9.892 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.197 4.288 11.326 1.00 0.00 H new ATOM 1057 N ASP A 70 9.582 0.801 12.912 1.00 0.00 N ATOM 1058 CA ASP A 70 10.490 0.735 14.051 1.00 0.00 C ATOM 1059 C ASP A 70 11.908 0.402 13.598 1.00 0.00 C ATOM 1060 O ASP A 70 12.118 -0.079 12.484 1.00 0.00 O ATOM 1061 CB ASP A 70 10.005 -0.309 15.058 1.00 0.00 C ATOM 1062 CG ASP A 70 9.144 0.295 16.149 1.00 0.00 C ATOM 1063 OD1 ASP A 70 9.639 1.186 16.871 1.00 0.00 O ATOM 1064 OD2 ASP A 70 7.974 -0.122 16.283 1.00 0.00 O ATOM 0 H ASP A 70 9.237 -0.105 12.595 1.00 0.00 H new ATOM 0 HA ASP A 70 10.502 1.714 14.531 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.437 -1.078 14.535 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.866 -0.801 15.510 1.00 0.00 H new ATOM 1069 N VAL A 71 12.879 0.662 14.467 1.00 0.00 N ATOM 1070 CA VAL A 71 14.277 0.390 14.157 1.00 0.00 C ATOM 1071 C VAL A 71 15.027 -0.108 15.387 1.00 0.00 C ATOM 1072 O VAL A 71 15.293 0.657 16.315 1.00 0.00 O ATOM 1073 CB VAL A 71 14.985 1.644 13.610 1.00 0.00 C ATOM 1074 CG1 VAL A 71 16.383 1.298 13.121 1.00 0.00 C ATOM 1075 CG2 VAL A 71 14.163 2.277 12.497 1.00 0.00 C ATOM 0 H VAL A 71 12.723 1.061 15.393 1.00 0.00 H new ATOM 0 HA VAL A 71 14.286 -0.386 13.392 1.00 0.00 H new ATOM 0 HB VAL A 71 15.078 2.369 14.419 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.867 2.196 12.738 1.00 0.00 H new ATOM 0 HG12 VAL A 71 16.968 0.894 13.947 1.00 0.00 H new ATOM 0 HG13 VAL A 71 16.317 0.555 12.326 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.678 3.162 12.122 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.036 1.560 11.686 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.185 2.563 12.885 1.00 0.00 H new ATOM 1085 N ILE A 72 15.365 -1.393 15.388 1.00 0.00 N ATOM 1086 CA ILE A 72 16.085 -1.992 16.504 1.00 0.00 C ATOM 1087 C ILE A 72 17.571 -1.653 16.444 1.00 0.00 C ATOM 1088 O ILE A 72 18.219 -1.838 15.414 1.00 0.00 O ATOM 1089 CB ILE A 72 15.920 -3.523 16.524 1.00 0.00 C ATOM 1090 CG1 ILE A 72 14.438 -3.897 16.600 1.00 0.00 C ATOM 1091 CG2 ILE A 72 16.685 -4.124 17.694 1.00 0.00 C ATOM 1092 CD1 ILE A 72 14.025 -4.940 15.586 1.00 0.00 C ATOM 0 H ILE A 72 15.152 -2.039 14.628 1.00 0.00 H new ATOM 0 HA ILE A 72 15.656 -1.577 17.416 1.00 0.00 H new ATOM 0 HB ILE A 72 16.331 -3.930 15.600 1.00 0.00 H new ATOM 0 HG12 ILE A 72 14.216 -4.267 17.601 1.00 0.00 H new ATOM 0 HG13 ILE A 72 13.837 -3.000 16.451 1.00 0.00 H new ATOM 0 HG21 ILE A 72 16.558 -5.207 17.694 1.00 0.00 H new ATOM 0 HG22 ILE A 72 17.744 -3.883 17.599 1.00 0.00 H new ATOM 0 HG23 ILE A 72 16.302 -3.714 18.628 1.00 0.00 H new ATOM 0 HD11 ILE A 72 12.962 -5.156 15.698 1.00 0.00 H new ATOM 0 HD12 ILE A 72 14.215 -4.565 14.580 1.00 0.00 H new ATOM 0 HD13 ILE A 72 14.600 -5.852 15.748 1.00 0.00 H new ATOM 1104 N ILE A 73 18.104 -1.159 17.556 1.00 0.00 N ATOM 1105 CA ILE A 73 19.515 -0.798 17.631 1.00 0.00 C ATOM 1106 C ILE A 73 20.304 -1.827 18.433 1.00 0.00 C ATOM 1107 O ILE A 73 21.511 -1.981 18.247 1.00 0.00 O ATOM 1108 CB ILE A 73 19.707 0.591 18.269 1.00 0.00 C ATOM 1109 CG1 ILE A 73 18.954 0.675 19.598 1.00 0.00 C ATOM 1110 CG2 ILE A 73 19.235 1.681 17.317 1.00 0.00 C ATOM 1111 CD1 ILE A 73 19.799 1.196 20.740 1.00 0.00 C ATOM 0 H ILE A 73 17.581 -0.999 18.417 1.00 0.00 H new ATOM 0 HA ILE A 73 19.890 -0.774 16.608 1.00 0.00 H new ATOM 0 HB ILE A 73 20.769 0.741 18.465 1.00 0.00 H new ATOM 0 HG12 ILE A 73 18.086 1.323 19.474 1.00 0.00 H new ATOM 0 HG13 ILE A 73 18.579 -0.315 19.857 1.00 0.00 H new ATOM 0 HG21 ILE A 73 19.377 2.657 17.782 1.00 0.00 H new ATOM 0 HG22 ILE A 73 19.811 1.632 16.393 1.00 0.00 H new ATOM 0 HG23 ILE A 73 18.178 1.536 17.093 1.00 0.00 H new ATOM 0 HD11 ILE A 73 19.200 1.229 21.650 1.00 0.00 H new ATOM 0 HD12 ILE A 73 20.653 0.536 20.891 1.00 0.00 H new ATOM 0 HD13 ILE A 73 20.153 2.199 20.502 1.00 0.00 H new ATOM 1123 N SER A 74 19.613 -2.529 19.326 1.00 0.00 N ATOM 1124 CA SER A 74 20.250 -3.543 20.158 1.00 0.00 C ATOM 1125 C SER A 74 19.231 -4.574 20.633 1.00 0.00 C ATOM 1126 O SER A 74 18.035 -4.292 20.708 1.00 0.00 O ATOM 1127 CB SER A 74 20.931 -2.890 21.363 1.00 0.00 C ATOM 1128 OG SER A 74 21.407 -3.868 22.271 1.00 0.00 O ATOM 0 H SER A 74 18.613 -2.414 19.492 1.00 0.00 H new ATOM 0 HA SER A 74 21.003 -4.052 19.556 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.761 -2.270 21.024 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.226 -2.231 21.870 1.00 0.00 H new ATOM 0 HG SER A 74 21.839 -3.426 23.031 1.00 0.00 H new ATOM 1134 N ILE A 75 19.713 -5.770 20.952 1.00 0.00 N ATOM 1135 CA ILE A 75 18.846 -6.844 21.421 1.00 0.00 C ATOM 1136 C ILE A 75 19.576 -7.752 22.404 1.00 0.00 C ATOM 1137 O ILE A 75 20.644 -8.281 22.100 1.00 0.00 O ATOM 1138 CB ILE A 75 18.319 -7.694 20.249 1.00 0.00 C ATOM 1139 CG1 ILE A 75 17.543 -6.818 19.264 1.00 0.00 C ATOM 1140 CG2 ILE A 75 17.441 -8.823 20.767 1.00 0.00 C ATOM 1141 CD1 ILE A 75 17.001 -7.580 18.075 1.00 0.00 C ATOM 0 H ILE A 75 20.700 -6.020 20.894 1.00 0.00 H new ATOM 0 HA ILE A 75 18.003 -6.371 21.925 1.00 0.00 H new ATOM 0 HB ILE A 75 19.169 -8.132 19.725 1.00 0.00 H new ATOM 0 HG12 ILE A 75 16.715 -6.342 19.788 1.00 0.00 H new ATOM 0 HG13 ILE A 75 18.195 -6.021 18.908 1.00 0.00 H new ATOM 0 HG21 ILE A 75 17.076 -9.415 19.927 1.00 0.00 H new ATOM 0 HG22 ILE A 75 18.023 -9.459 21.434 1.00 0.00 H new ATOM 0 HG23 ILE A 75 16.594 -8.405 21.311 1.00 0.00 H new ATOM 0 HD11 ILE A 75 16.462 -6.896 17.419 1.00 0.00 H new ATOM 0 HD12 ILE A 75 17.826 -8.034 17.527 1.00 0.00 H new ATOM 0 HD13 ILE A 75 16.323 -8.360 18.421 1.00 0.00 H new ATOM 1153 N ASN A 76 18.991 -7.928 23.585 1.00 0.00 N ATOM 1154 CA ASN A 76 19.586 -8.773 24.614 1.00 0.00 C ATOM 1155 C ASN A 76 20.930 -8.213 25.068 1.00 0.00 C ATOM 1156 O ASN A 76 21.798 -8.951 25.533 1.00 0.00 O ATOM 1157 CB ASN A 76 19.767 -10.200 24.090 1.00 0.00 C ATOM 1158 CG ASN A 76 19.107 -11.232 24.984 1.00 0.00 C ATOM 1159 OD1 ASN A 76 19.429 -11.341 26.167 1.00 0.00 O ATOM 1160 ND2 ASN A 76 18.179 -11.996 24.420 1.00 0.00 N ATOM 0 H ASN A 76 18.106 -7.497 23.853 1.00 0.00 H new ATOM 0 HA ASN A 76 18.911 -8.789 25.470 1.00 0.00 H new ATOM 0 HB2 ASN A 76 19.348 -10.271 23.086 1.00 0.00 H new ATOM 0 HB3 ASN A 76 20.831 -10.422 24.008 1.00 0.00 H new ATOM 0 HD21 ASN A 76 17.701 -12.709 24.971 1.00 0.00 H new ATOM 0 HD22 ASN A 76 17.944 -11.870 23.435 1.00 0.00 H new ATOM 1167 N GLY A 77 21.095 -6.900 24.932 1.00 0.00 N ATOM 1168 CA GLY A 77 22.335 -6.262 25.333 1.00 0.00 C ATOM 1169 C GLY A 77 23.400 -6.337 24.257 1.00 0.00 C ATOM 1170 O GLY A 77 24.590 -6.214 24.545 1.00 0.00 O ATOM 0 H GLY A 77 20.391 -6.267 24.551 1.00 0.00 H new ATOM 0 HA2 GLY A 77 22.141 -5.217 25.575 1.00 0.00 H new ATOM 0 HA3 GLY A 77 22.707 -6.736 26.241 1.00 0.00 H new ATOM 1174 N GLN A 78 22.972 -6.541 23.016 1.00 0.00 N ATOM 1175 CA GLN A 78 23.898 -6.635 21.894 1.00 0.00 C ATOM 1176 C GLN A 78 23.432 -5.768 20.729 1.00 0.00 C ATOM 1177 O GLN A 78 22.351 -5.979 20.180 1.00 0.00 O ATOM 1178 CB GLN A 78 24.037 -8.089 21.440 1.00 0.00 C ATOM 1179 CG GLN A 78 25.415 -8.678 21.698 1.00 0.00 C ATOM 1180 CD GLN A 78 26.297 -8.661 20.465 1.00 0.00 C ATOM 1181 OE1 GLN A 78 25.863 -9.029 19.373 1.00 0.00 O ATOM 1182 NE2 GLN A 78 27.543 -8.233 20.634 1.00 0.00 N ATOM 0 H GLN A 78 21.990 -6.644 22.762 1.00 0.00 H new ATOM 0 HA GLN A 78 24.870 -6.272 22.227 1.00 0.00 H new ATOM 0 HB2 GLN A 78 23.290 -8.694 21.954 1.00 0.00 H new ATOM 0 HB3 GLN A 78 23.818 -8.151 20.374 1.00 0.00 H new ATOM 0 HG2 GLN A 78 25.902 -8.118 22.496 1.00 0.00 H new ATOM 0 HG3 GLN A 78 25.307 -9.704 22.049 1.00 0.00 H new ATOM 0 HE21 GLN A 78 27.860 -7.938 21.557 1.00 0.00 H new ATOM 0 HE22 GLN A 78 28.183 -8.200 19.840 1.00 0.00 H new ATOM 1191 N SER A 79 24.255 -4.793 20.357 1.00 0.00 N ATOM 1192 CA SER A 79 23.925 -3.891 19.260 1.00 0.00 C ATOM 1193 C SER A 79 23.878 -4.644 17.934 1.00 0.00 C ATOM 1194 O SER A 79 24.786 -5.410 17.609 1.00 0.00 O ATOM 1195 CB SER A 79 24.948 -2.757 19.179 1.00 0.00 C ATOM 1196 OG SER A 79 24.805 -1.862 20.269 1.00 0.00 O ATOM 0 H SER A 79 25.155 -4.607 20.799 1.00 0.00 H new ATOM 0 HA SER A 79 22.939 -3.468 19.454 1.00 0.00 H new ATOM 0 HB2 SER A 79 25.956 -3.172 19.175 1.00 0.00 H new ATOM 0 HB3 SER A 79 24.822 -2.216 18.241 1.00 0.00 H new ATOM 0 HG SER A 79 25.471 -1.147 20.195 1.00 0.00 H new ATOM 1202 N VAL A 80 22.813 -4.420 17.171 1.00 0.00 N ATOM 1203 CA VAL A 80 22.646 -5.076 15.879 1.00 0.00 C ATOM 1204 C VAL A 80 22.746 -4.072 14.736 1.00 0.00 C ATOM 1205 O VAL A 80 22.493 -2.881 14.918 1.00 0.00 O ATOM 1206 CB VAL A 80 21.292 -5.805 15.790 1.00 0.00 C ATOM 1207 CG1 VAL A 80 21.144 -6.797 16.934 1.00 0.00 C ATOM 1208 CG2 VAL A 80 20.147 -4.803 15.791 1.00 0.00 C ATOM 0 H VAL A 80 22.053 -3.789 17.425 1.00 0.00 H new ATOM 0 HA VAL A 80 23.450 -5.806 15.789 1.00 0.00 H new ATOM 0 HB VAL A 80 21.258 -6.360 14.853 1.00 0.00 H new ATOM 0 HG11 VAL A 80 20.182 -7.303 16.855 1.00 0.00 H new ATOM 0 HG12 VAL A 80 21.946 -7.533 16.883 1.00 0.00 H new ATOM 0 HG13 VAL A 80 21.198 -6.267 17.885 1.00 0.00 H new ATOM 0 HG21 VAL A 80 19.198 -5.335 15.728 1.00 0.00 H new ATOM 0 HG22 VAL A 80 20.175 -4.219 16.711 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.247 -4.136 14.935 1.00 0.00 H new ATOM 1218 N VAL A 81 23.117 -4.561 13.557 1.00 0.00 N ATOM 1219 CA VAL A 81 23.250 -3.707 12.383 1.00 0.00 C ATOM 1220 C VAL A 81 22.714 -4.401 11.136 1.00 0.00 C ATOM 1221 O VAL A 81 23.120 -4.088 10.016 1.00 0.00 O ATOM 1222 CB VAL A 81 24.717 -3.305 12.144 1.00 0.00 C ATOM 1223 CG1 VAL A 81 25.158 -2.264 13.161 1.00 0.00 C ATOM 1224 CG2 VAL A 81 25.619 -4.529 12.196 1.00 0.00 C ATOM 0 H VAL A 81 23.331 -5.544 13.390 1.00 0.00 H new ATOM 0 HA VAL A 81 22.663 -2.809 12.576 1.00 0.00 H new ATOM 0 HB VAL A 81 24.798 -2.864 11.151 1.00 0.00 H new ATOM 0 HG11 VAL A 81 26.197 -1.992 12.976 1.00 0.00 H new ATOM 0 HG12 VAL A 81 24.530 -1.378 13.071 1.00 0.00 H new ATOM 0 HG13 VAL A 81 25.064 -2.675 14.166 1.00 0.00 H new ATOM 0 HG21 VAL A 81 26.652 -4.227 12.025 1.00 0.00 H new ATOM 0 HG22 VAL A 81 25.536 -5.001 13.175 1.00 0.00 H new ATOM 0 HG23 VAL A 81 25.316 -5.237 11.425 1.00 0.00 H new ATOM 1234 N SER A 82 21.800 -5.345 11.336 1.00 0.00 N ATOM 1235 CA SER A 82 21.211 -6.087 10.228 1.00 0.00 C ATOM 1236 C SER A 82 19.961 -6.836 10.679 1.00 0.00 C ATOM 1237 O SER A 82 19.952 -7.472 11.732 1.00 0.00 O ATOM 1238 CB SER A 82 22.228 -7.071 9.647 1.00 0.00 C ATOM 1239 OG SER A 82 22.103 -7.161 8.238 1.00 0.00 O ATOM 0 H SER A 82 21.451 -5.614 12.256 1.00 0.00 H new ATOM 0 HA SER A 82 20.926 -5.373 9.456 1.00 0.00 H new ATOM 0 HB2 SER A 82 23.237 -6.751 9.906 1.00 0.00 H new ATOM 0 HB3 SER A 82 22.082 -8.055 10.092 1.00 0.00 H new ATOM 0 HG SER A 82 22.765 -7.795 7.891 1.00 0.00 H new ATOM 1245 N ALA A 83 18.907 -6.755 9.874 1.00 0.00 N ATOM 1246 CA ALA A 83 17.652 -7.427 10.188 1.00 0.00 C ATOM 1247 C ALA A 83 17.861 -8.927 10.362 1.00 0.00 C ATOM 1248 O ALA A 83 17.075 -9.600 11.028 1.00 0.00 O ATOM 1249 CB ALA A 83 16.623 -7.158 9.100 1.00 0.00 C ATOM 0 H ALA A 83 18.897 -6.231 8.999 1.00 0.00 H new ATOM 0 HA ALA A 83 17.280 -7.027 11.131 1.00 0.00 H new ATOM 0 HB1 ALA A 83 15.691 -7.666 9.347 1.00 0.00 H new ATOM 0 HB2 ALA A 83 16.443 -6.085 9.026 1.00 0.00 H new ATOM 0 HB3 ALA A 83 16.997 -7.530 8.146 1.00 0.00 H new ATOM 1255 N ASN A 84 18.925 -9.446 9.758 1.00 0.00 N ATOM 1256 CA ASN A 84 19.237 -10.868 9.846 1.00 0.00 C ATOM 1257 C ASN A 84 19.826 -11.213 11.210 1.00 0.00 C ATOM 1258 O ASN A 84 19.725 -12.349 11.672 1.00 0.00 O ATOM 1259 CB ASN A 84 20.216 -11.266 8.740 1.00 0.00 C ATOM 1260 CG ASN A 84 19.530 -11.452 7.400 1.00 0.00 C ATOM 1261 OD1 ASN A 84 18.914 -12.486 7.143 1.00 0.00 O ATOM 1262 ND2 ASN A 84 19.635 -10.446 6.538 1.00 0.00 N ATOM 0 H ASN A 84 19.586 -8.903 9.202 1.00 0.00 H new ATOM 0 HA ASN A 84 18.309 -11.426 9.719 1.00 0.00 H new ATOM 0 HB2 ASN A 84 20.986 -10.500 8.648 1.00 0.00 H new ATOM 0 HB3 ASN A 84 20.719 -12.192 9.019 1.00 0.00 H new ATOM 0 HD21 ASN A 84 19.195 -10.513 5.620 1.00 0.00 H new ATOM 0 HD22 ASN A 84 20.156 -9.607 6.794 1.00 0.00 H new ATOM 1269 N ASP A 85 20.440 -10.224 11.850 1.00 0.00 N ATOM 1270 CA ASP A 85 21.044 -10.421 13.163 1.00 0.00 C ATOM 1271 C ASP A 85 19.977 -10.453 14.253 1.00 0.00 C ATOM 1272 O ASP A 85 20.010 -11.304 15.143 1.00 0.00 O ATOM 1273 CB ASP A 85 22.055 -9.311 13.454 1.00 0.00 C ATOM 1274 CG ASP A 85 23.478 -9.723 13.130 1.00 0.00 C ATOM 1275 OD1 ASP A 85 23.656 -10.613 12.273 1.00 0.00 O ATOM 1276 OD2 ASP A 85 24.413 -9.156 13.734 1.00 0.00 O ATOM 0 H ASP A 85 20.533 -9.278 11.481 1.00 0.00 H new ATOM 0 HA ASP A 85 21.561 -11.381 13.158 1.00 0.00 H new ATOM 0 HB2 ASP A 85 21.795 -8.426 12.873 1.00 0.00 H new ATOM 0 HB3 ASP A 85 21.991 -9.032 14.506 1.00 0.00 H new ATOM 1281 N VAL A 86 19.033 -9.521 14.178 1.00 0.00 N ATOM 1282 CA VAL A 86 17.956 -9.443 15.157 1.00 0.00 C ATOM 1283 C VAL A 86 17.091 -10.698 15.124 1.00 0.00 C ATOM 1284 O VAL A 86 16.449 -11.047 16.114 1.00 0.00 O ATOM 1285 CB VAL A 86 17.064 -8.211 14.914 1.00 0.00 C ATOM 1286 CG1 VAL A 86 17.870 -6.930 15.067 1.00 0.00 C ATOM 1287 CG2 VAL A 86 16.419 -8.284 13.538 1.00 0.00 C ATOM 0 H VAL A 86 18.992 -8.809 13.449 1.00 0.00 H new ATOM 0 HA VAL A 86 18.425 -9.355 16.137 1.00 0.00 H new ATOM 0 HB VAL A 86 16.271 -8.204 15.662 1.00 0.00 H new ATOM 0 HG11 VAL A 86 17.223 -6.070 14.892 1.00 0.00 H new ATOM 0 HG12 VAL A 86 18.280 -6.876 16.076 1.00 0.00 H new ATOM 0 HG13 VAL A 86 18.685 -6.924 14.343 1.00 0.00 H new ATOM 0 HG21 VAL A 86 15.792 -7.406 13.383 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.195 -8.315 12.773 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.807 -9.183 13.470 1.00 0.00 H new ATOM 1297 N SER A 87 17.079 -11.372 13.979 1.00 0.00 N ATOM 1298 CA SER A 87 16.290 -12.587 13.815 1.00 0.00 C ATOM 1299 C SER A 87 16.995 -13.782 14.449 1.00 0.00 C ATOM 1300 O SER A 87 16.357 -14.766 14.825 1.00 0.00 O ATOM 1301 CB SER A 87 16.035 -12.859 12.331 1.00 0.00 C ATOM 1302 OG SER A 87 17.229 -13.240 11.670 1.00 0.00 O ATOM 0 H SER A 87 17.607 -11.097 13.151 1.00 0.00 H new ATOM 0 HA SER A 87 15.335 -12.441 14.319 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.290 -13.647 12.225 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.624 -11.966 11.860 1.00 0.00 H new ATOM 0 HG SER A 87 17.977 -12.709 12.014 1.00 0.00 H new ATOM 1308 N ASP A 88 18.316 -13.690 14.562 1.00 0.00 N ATOM 1309 CA ASP A 88 19.110 -14.763 15.151 1.00 0.00 C ATOM 1310 C ASP A 88 18.834 -14.885 16.646 1.00 0.00 C ATOM 1311 O ASP A 88 18.624 -15.983 17.161 1.00 0.00 O ATOM 1312 CB ASP A 88 20.600 -14.513 14.913 1.00 0.00 C ATOM 1313 CG ASP A 88 21.243 -15.601 14.076 1.00 0.00 C ATOM 1314 OD1 ASP A 88 20.695 -15.923 13.001 1.00 0.00 O ATOM 1315 OD2 ASP A 88 22.293 -16.130 14.496 1.00 0.00 O ATOM 0 H ASP A 88 18.859 -12.884 14.254 1.00 0.00 H new ATOM 0 HA ASP A 88 18.825 -15.699 14.670 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.729 -13.552 14.416 1.00 0.00 H new ATOM 0 HB3 ASP A 88 21.112 -14.447 15.873 1.00 0.00 H new ATOM 1320 N VAL A 89 18.837 -13.750 17.338 1.00 0.00 N ATOM 1321 CA VAL A 89 18.587 -13.730 18.774 1.00 0.00 C ATOM 1322 C VAL A 89 17.261 -14.402 19.111 1.00 0.00 C ATOM 1323 O VAL A 89 17.074 -14.908 20.218 1.00 0.00 O ATOM 1324 CB VAL A 89 18.574 -12.290 19.322 1.00 0.00 C ATOM 1325 CG1 VAL A 89 18.333 -12.292 20.824 1.00 0.00 C ATOM 1326 CG2 VAL A 89 19.876 -11.580 18.983 1.00 0.00 C ATOM 0 H VAL A 89 19.010 -12.833 16.927 1.00 0.00 H new ATOM 0 HA VAL A 89 19.401 -14.282 19.244 1.00 0.00 H new ATOM 0 HB VAL A 89 17.756 -11.747 18.848 1.00 0.00 H new ATOM 0 HG11 VAL A 89 18.327 -11.266 21.193 1.00 0.00 H new ATOM 0 HG12 VAL A 89 17.372 -12.760 21.038 1.00 0.00 H new ATOM 0 HG13 VAL A 89 19.127 -12.851 21.319 1.00 0.00 H new ATOM 0 HG21 VAL A 89 19.850 -10.564 19.377 1.00 0.00 H new ATOM 0 HG22 VAL A 89 20.712 -12.121 19.428 1.00 0.00 H new ATOM 0 HG23 VAL A 89 20.001 -11.546 17.901 1.00 0.00 H new ATOM 1336 N ILE A 90 16.344 -14.404 18.150 1.00 0.00 N ATOM 1337 CA ILE A 90 15.035 -15.015 18.344 1.00 0.00 C ATOM 1338 C ILE A 90 15.159 -16.517 18.579 1.00 0.00 C ATOM 1339 O ILE A 90 14.507 -17.075 19.461 1.00 0.00 O ATOM 1340 CB ILE A 90 14.114 -14.770 17.134 1.00 0.00 C ATOM 1341 CG1 ILE A 90 14.049 -13.277 16.809 1.00 0.00 C ATOM 1342 CG2 ILE A 90 12.722 -15.319 17.409 1.00 0.00 C ATOM 1343 CD1 ILE A 90 13.163 -12.954 15.626 1.00 0.00 C ATOM 0 H ILE A 90 16.483 -13.989 17.229 1.00 0.00 H new ATOM 0 HA ILE A 90 14.596 -14.547 19.225 1.00 0.00 H new ATOM 0 HB ILE A 90 14.526 -15.293 16.271 1.00 0.00 H new ATOM 0 HG12 ILE A 90 13.684 -12.739 17.684 1.00 0.00 H new ATOM 0 HG13 ILE A 90 15.057 -12.913 16.608 1.00 0.00 H new ATOM 0 HG21 ILE A 90 12.082 -15.138 16.545 1.00 0.00 H new ATOM 0 HG22 ILE A 90 12.784 -16.391 17.597 1.00 0.00 H new ATOM 0 HG23 ILE A 90 12.301 -14.821 18.283 1.00 0.00 H new ATOM 0 HD11 ILE A 90 13.164 -11.878 15.453 1.00 0.00 H new ATOM 0 HD12 ILE A 90 13.540 -13.464 14.739 1.00 0.00 H new ATOM 0 HD13 ILE A 90 12.146 -13.287 15.832 1.00 0.00 H new ATOM 1355 N LYS A 91 16.002 -17.167 17.783 1.00 0.00 N ATOM 1356 CA LYS A 91 16.216 -18.604 17.905 1.00 0.00 C ATOM 1357 C LYS A 91 17.374 -18.903 18.852 1.00 0.00 C ATOM 1358 O LYS A 91 17.502 -20.019 19.357 1.00 0.00 O ATOM 1359 CB LYS A 91 16.495 -19.217 16.531 1.00 0.00 C ATOM 1360 CG LYS A 91 17.884 -18.908 15.997 1.00 0.00 C ATOM 1361 CD LYS A 91 17.824 -18.293 14.609 1.00 0.00 C ATOM 1362 CE LYS A 91 17.635 -19.356 13.537 1.00 0.00 C ATOM 1363 NZ LYS A 91 16.456 -19.069 12.673 1.00 0.00 N ATOM 0 H LYS A 91 16.548 -16.721 17.046 1.00 0.00 H new ATOM 0 HA LYS A 91 15.310 -19.048 18.317 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.371 -20.298 16.593 1.00 0.00 H new ATOM 0 HB3 LYS A 91 15.753 -18.851 15.822 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.392 -18.225 16.677 1.00 0.00 H new ATOM 0 HG3 LYS A 91 18.474 -19.824 15.965 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.003 -17.577 14.562 1.00 0.00 H new ATOM 0 HD3 LYS A 91 18.742 -17.738 14.415 1.00 0.00 H new ATOM 0 HE2 LYS A 91 18.532 -19.413 12.920 1.00 0.00 H new ATOM 0 HE3 LYS A 91 17.510 -20.330 14.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 16.361 -19.816 11.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 15.596 -19.039 13.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 16.586 -18.151 12.202 1.00 0.00 H new ATOM 1377 N ARG A 92 18.213 -17.901 19.088 1.00 0.00 N ATOM 1378 CA ARG A 92 19.360 -18.058 19.975 1.00 0.00 C ATOM 1379 C ARG A 92 18.926 -18.018 21.437 1.00 0.00 C ATOM 1380 O ARG A 92 19.155 -18.965 22.188 1.00 0.00 O ATOM 1381 CB ARG A 92 20.392 -16.960 19.708 1.00 0.00 C ATOM 1382 CG ARG A 92 21.717 -17.185 20.417 1.00 0.00 C ATOM 1383 CD ARG A 92 22.852 -17.392 19.426 1.00 0.00 C ATOM 1384 NE ARG A 92 24.156 -17.413 20.083 1.00 0.00 N ATOM 1385 CZ ARG A 92 24.636 -18.469 20.730 1.00 0.00 C ATOM 1386 NH1 ARG A 92 23.923 -19.584 20.806 1.00 0.00 N ATOM 1387 NH2 ARG A 92 25.831 -18.411 21.303 1.00 0.00 N ATOM 0 H ARG A 92 18.121 -16.972 18.678 1.00 0.00 H new ATOM 0 HA ARG A 92 19.812 -19.029 19.775 1.00 0.00 H new ATOM 0 HB2 ARG A 92 20.570 -16.894 18.635 1.00 0.00 H new ATOM 0 HB3 ARG A 92 19.980 -16.001 20.022 1.00 0.00 H new ATOM 0 HG2 ARG A 92 21.940 -16.329 21.054 1.00 0.00 H new ATOM 0 HG3 ARG A 92 21.639 -18.055 21.069 1.00 0.00 H new ATOM 0 HD2 ARG A 92 22.700 -18.330 18.892 1.00 0.00 H new ATOM 0 HD3 ARG A 92 22.834 -16.595 18.682 1.00 0.00 H new ATOM 0 HE ARG A 92 24.730 -16.571 20.043 1.00 0.00 H new ATOM 0 HH11 ARG A 92 23.004 -19.632 20.367 1.00 0.00 H new ATOM 0 HH12 ARG A 92 24.294 -20.394 21.303 1.00 0.00 H new ATOM 0 HH21 ARG A 92 26.382 -17.555 21.247 1.00 0.00 H new ATOM 0 HH22 ARG A 92 26.198 -19.223 21.800 1.00 0.00 H new ATOM 1401 N GLU A 93 18.299 -16.914 21.833 1.00 0.00 N ATOM 1402 CA GLU A 93 17.835 -16.751 23.206 1.00 0.00 C ATOM 1403 C GLU A 93 16.324 -16.944 23.296 1.00 0.00 C ATOM 1404 O GLU A 93 15.593 -16.654 22.349 1.00 0.00 O ATOM 1405 CB GLU A 93 18.216 -15.367 23.735 1.00 0.00 C ATOM 1406 CG GLU A 93 19.678 -15.013 23.519 1.00 0.00 C ATOM 1407 CD GLU A 93 20.608 -15.803 24.419 1.00 0.00 C ATOM 1408 OE1 GLU A 93 20.149 -16.270 25.482 1.00 0.00 O ATOM 1409 OE2 GLU A 93 21.795 -15.954 24.060 1.00 0.00 O ATOM 0 H GLU A 93 18.101 -16.121 21.223 1.00 0.00 H new ATOM 0 HA GLU A 93 18.318 -17.512 23.819 1.00 0.00 H new ATOM 0 HB2 GLU A 93 17.594 -14.617 23.247 1.00 0.00 H new ATOM 0 HB3 GLU A 93 17.994 -15.321 24.801 1.00 0.00 H new ATOM 0 HG2 GLU A 93 19.943 -15.197 22.478 1.00 0.00 H new ATOM 0 HG3 GLU A 93 19.821 -13.948 23.700 1.00 0.00 H new ATOM 1416 N SER A 94 15.863 -17.436 24.441 1.00 0.00 N ATOM 1417 CA SER A 94 14.440 -17.673 24.654 1.00 0.00 C ATOM 1418 C SER A 94 13.670 -16.356 24.689 1.00 0.00 C ATOM 1419 O SER A 94 12.573 -16.250 24.139 1.00 0.00 O ATOM 1420 CB SER A 94 14.219 -18.440 25.959 1.00 0.00 C ATOM 1421 OG SER A 94 14.315 -19.839 25.751 1.00 0.00 O ATOM 0 H SER A 94 16.454 -17.678 25.236 1.00 0.00 H new ATOM 0 HA SER A 94 14.068 -18.271 23.822 1.00 0.00 H new ATOM 0 HB2 SER A 94 14.957 -18.128 26.698 1.00 0.00 H new ATOM 0 HB3 SER A 94 13.238 -18.196 26.366 1.00 0.00 H new ATOM 0 HG SER A 94 14.172 -20.307 26.600 1.00 0.00 H new ATOM 1427 N THR A 95 14.253 -15.354 25.339 1.00 0.00 N ATOM 1428 CA THR A 95 13.622 -14.044 25.447 1.00 0.00 C ATOM 1429 C THR A 95 14.160 -13.086 24.390 1.00 0.00 C ATOM 1430 O THR A 95 15.140 -13.386 23.707 1.00 0.00 O ATOM 1431 CB THR A 95 13.843 -13.428 26.842 1.00 0.00 C ATOM 1432 OG1 THR A 95 14.039 -14.464 27.810 1.00 0.00 O ATOM 1433 CG2 THR A 95 12.657 -12.566 27.247 1.00 0.00 C ATOM 0 H THR A 95 15.161 -15.424 25.799 1.00 0.00 H new ATOM 0 HA THR A 95 12.554 -14.193 25.288 1.00 0.00 H new ATOM 0 HB THR A 95 14.732 -12.798 26.800 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.180 -14.064 28.693 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.836 -12.142 28.235 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.529 -11.760 26.524 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.755 -13.177 27.272 1.00 0.00 H new ATOM 1441 N LEU A 96 13.513 -11.933 24.260 1.00 0.00 N ATOM 1442 CA LEU A 96 13.927 -10.930 23.285 1.00 0.00 C ATOM 1443 C LEU A 96 13.891 -9.532 23.894 1.00 0.00 C ATOM 1444 O LEU A 96 12.852 -8.872 23.899 1.00 0.00 O ATOM 1445 CB LEU A 96 13.023 -10.985 22.053 1.00 0.00 C ATOM 1446 CG LEU A 96 13.125 -12.250 21.201 1.00 0.00 C ATOM 1447 CD1 LEU A 96 12.221 -12.148 19.983 1.00 0.00 C ATOM 1448 CD2 LEU A 96 14.567 -12.494 20.779 1.00 0.00 C ATOM 0 H LEU A 96 12.700 -11.670 24.817 1.00 0.00 H new ATOM 0 HA LEU A 96 14.952 -11.150 22.986 1.00 0.00 H new ATOM 0 HB2 LEU A 96 11.989 -10.874 22.381 1.00 0.00 H new ATOM 0 HB3 LEU A 96 13.251 -10.126 21.421 1.00 0.00 H new ATOM 0 HG LEU A 96 12.795 -13.097 21.802 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.307 -13.058 19.389 1.00 0.00 H new ATOM 0 HD12 LEU A 96 11.188 -12.022 20.306 1.00 0.00 H new ATOM 0 HD13 LEU A 96 12.519 -11.291 19.379 1.00 0.00 H new ATOM 0 HD21 LEU A 96 14.621 -13.399 20.173 1.00 0.00 H new ATOM 0 HD22 LEU A 96 14.924 -11.645 20.196 1.00 0.00 H new ATOM 0 HD23 LEU A 96 15.190 -12.613 21.665 1.00 0.00 H new ATOM 1460 N ASN A 97 15.034 -9.085 24.405 1.00 0.00 N ATOM 1461 CA ASN A 97 15.134 -7.764 25.016 1.00 0.00 C ATOM 1462 C ASN A 97 15.616 -6.732 24.001 1.00 0.00 C ATOM 1463 O ASN A 97 16.760 -6.280 24.057 1.00 0.00 O ATOM 1464 CB ASN A 97 16.086 -7.803 26.213 1.00 0.00 C ATOM 1465 CG ASN A 97 15.475 -8.498 27.414 1.00 0.00 C ATOM 1466 OD1 ASN A 97 15.074 -9.751 27.233 1.00 0.00 O flip ATOM 1467 ND2 ASN A 97 15.366 -7.915 28.493 1.00 0.00 N flip ATOM 0 H ASN A 97 15.904 -9.618 24.408 1.00 0.00 H new ATOM 0 HA ASN A 97 14.141 -7.473 25.360 1.00 0.00 H new ATOM 0 HB2 ASN A 97 17.004 -8.317 25.927 1.00 0.00 H new ATOM 0 HB3 ASN A 97 16.363 -6.785 26.487 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.688 -6.952 28.587 1.00 0.00 H new ATOM 0 HD22 ASN A 97 14.954 -8.395 29.293 1.00 0.00 H new ATOM 1474 N MET A 98 14.736 -6.362 23.077 1.00 0.00 N ATOM 1475 CA MET A 98 15.072 -5.381 22.051 1.00 0.00 C ATOM 1476 C MET A 98 14.976 -3.963 22.604 1.00 0.00 C ATOM 1477 O MET A 98 14.315 -3.722 23.614 1.00 0.00 O ATOM 1478 CB MET A 98 14.143 -5.535 20.845 1.00 0.00 C ATOM 1479 CG MET A 98 13.906 -6.981 20.441 1.00 0.00 C ATOM 1480 SD MET A 98 13.477 -7.153 18.698 1.00 0.00 S ATOM 1481 CE MET A 98 12.705 -8.769 18.698 1.00 0.00 C ATOM 0 H MET A 98 13.785 -6.726 23.017 1.00 0.00 H new ATOM 0 HA MET A 98 16.099 -5.560 21.734 1.00 0.00 H new ATOM 0 HB2 MET A 98 13.185 -5.068 21.073 1.00 0.00 H new ATOM 0 HB3 MET A 98 14.567 -4.995 19.999 1.00 0.00 H new ATOM 0 HG2 MET A 98 14.803 -7.564 20.650 1.00 0.00 H new ATOM 0 HG3 MET A 98 13.105 -7.398 21.051 1.00 0.00 H new ATOM 0 HE1 MET A 98 12.082 -8.875 17.810 1.00 0.00 H new ATOM 0 HE2 MET A 98 13.475 -9.540 18.695 1.00 0.00 H new ATOM 0 HE3 MET A 98 12.087 -8.877 19.589 1.00 0.00 H new ATOM 1491 N VAL A 99 15.642 -3.026 21.935 1.00 0.00 N ATOM 1492 CA VAL A 99 15.631 -1.631 22.359 1.00 0.00 C ATOM 1493 C VAL A 99 15.422 -0.697 21.172 1.00 0.00 C ATOM 1494 O VAL A 99 16.368 -0.361 20.459 1.00 0.00 O ATOM 1495 CB VAL A 99 16.942 -1.251 23.073 1.00 0.00 C ATOM 1496 CG1 VAL A 99 16.878 0.181 23.582 1.00 0.00 C ATOM 1497 CG2 VAL A 99 17.228 -2.218 24.211 1.00 0.00 C ATOM 0 H VAL A 99 16.195 -3.208 21.098 1.00 0.00 H new ATOM 0 HA VAL A 99 14.801 -1.519 23.056 1.00 0.00 H new ATOM 0 HB VAL A 99 17.759 -1.319 22.355 1.00 0.00 H new ATOM 0 HG11 VAL A 99 17.813 0.431 24.083 1.00 0.00 H new ATOM 0 HG12 VAL A 99 16.724 0.859 22.743 1.00 0.00 H new ATOM 0 HG13 VAL A 99 16.051 0.281 24.285 1.00 0.00 H new ATOM 0 HG21 VAL A 99 18.158 -1.935 24.704 1.00 0.00 H new ATOM 0 HG22 VAL A 99 16.410 -2.185 24.931 1.00 0.00 H new ATOM 0 HG23 VAL A 99 17.321 -3.229 23.815 1.00 0.00 H new ATOM 1507 N VAL A 100 14.177 -0.281 20.966 1.00 0.00 N ATOM 1508 CA VAL A 100 13.843 0.616 19.866 1.00 0.00 C ATOM 1509 C VAL A 100 13.691 2.052 20.354 1.00 0.00 C ATOM 1510 O VAL A 100 13.343 2.292 21.510 1.00 0.00 O ATOM 1511 CB VAL A 100 12.541 0.183 19.165 1.00 0.00 C ATOM 1512 CG1 VAL A 100 11.349 0.369 20.091 1.00 0.00 C ATOM 1513 CG2 VAL A 100 12.349 0.962 17.872 1.00 0.00 C ATOM 0 H VAL A 100 13.383 -0.551 21.546 1.00 0.00 H new ATOM 0 HA VAL A 100 14.666 0.563 19.153 1.00 0.00 H new ATOM 0 HB VAL A 100 12.616 -0.876 18.917 1.00 0.00 H new ATOM 0 HG11 VAL A 100 10.438 0.058 19.579 1.00 0.00 H new ATOM 0 HG12 VAL A 100 11.486 -0.237 20.987 1.00 0.00 H new ATOM 0 HG13 VAL A 100 11.267 1.419 20.372 1.00 0.00 H new ATOM 0 HG21 VAL A 100 11.425 0.644 17.389 1.00 0.00 H new ATOM 0 HG22 VAL A 100 12.294 2.028 18.094 1.00 0.00 H new ATOM 0 HG23 VAL A 100 13.190 0.773 17.205 1.00 0.00 H new ATOM 1523 N ARG A 101 13.955 3.004 19.465 1.00 0.00 N ATOM 1524 CA ARG A 101 13.849 4.418 19.805 1.00 0.00 C ATOM 1525 C ARG A 101 12.483 4.971 19.410 1.00 0.00 C ATOM 1526 O ARG A 101 12.132 4.999 18.231 1.00 0.00 O ATOM 1527 CB ARG A 101 14.955 5.216 19.112 1.00 0.00 C ATOM 1528 CG ARG A 101 16.331 5.009 19.724 1.00 0.00 C ATOM 1529 CD ARG A 101 16.487 5.790 21.020 1.00 0.00 C ATOM 1530 NE ARG A 101 17.889 6.031 21.348 1.00 0.00 N ATOM 1531 CZ ARG A 101 18.295 6.971 22.194 1.00 0.00 C ATOM 1532 NH1 ARG A 101 17.409 7.753 22.795 1.00 0.00 N ATOM 1533 NH2 ARG A 101 19.589 7.129 22.442 1.00 0.00 N ATOM 0 H ARG A 101 14.244 2.822 18.504 1.00 0.00 H new ATOM 0 HA ARG A 101 13.963 4.516 20.885 1.00 0.00 H new ATOM 0 HB2 ARG A 101 14.989 4.935 18.059 1.00 0.00 H new ATOM 0 HB3 ARG A 101 14.705 6.276 19.151 1.00 0.00 H new ATOM 0 HG2 ARG A 101 16.489 3.948 19.916 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.097 5.322 19.015 1.00 0.00 H new ATOM 0 HD2 ARG A 101 15.966 6.743 20.934 1.00 0.00 H new ATOM 0 HD3 ARG A 101 16.014 5.240 21.834 1.00 0.00 H new ATOM 0 HE ARG A 101 18.596 5.445 20.903 1.00 0.00 H new ATOM 0 HH11 ARG A 101 16.413 7.633 22.608 1.00 0.00 H new ATOM 0 HH12 ARG A 101 17.723 8.474 23.444 1.00 0.00 H new ATOM 0 HH21 ARG A 101 20.273 6.528 21.983 1.00 0.00 H new ATOM 0 HH22 ARG A 101 19.899 7.851 23.092 1.00 0.00 H new ATOM 1547 N ARG A 102 11.718 5.410 20.404 1.00 0.00 N ATOM 1548 CA ARG A 102 10.390 5.960 20.160 1.00 0.00 C ATOM 1549 C ARG A 102 10.288 7.388 20.691 1.00 0.00 C ATOM 1550 O ARG A 102 10.450 7.630 21.886 1.00 0.00 O ATOM 1551 CB ARG A 102 9.323 5.083 20.817 1.00 0.00 C ATOM 1552 CG ARG A 102 8.327 4.495 19.830 1.00 0.00 C ATOM 1553 CD ARG A 102 7.728 3.198 20.350 1.00 0.00 C ATOM 1554 NE ARG A 102 8.286 2.029 19.675 1.00 0.00 N ATOM 1555 CZ ARG A 102 7.867 0.787 19.890 1.00 0.00 C ATOM 1556 NH1 ARG A 102 6.891 0.553 20.756 1.00 0.00 N ATOM 1557 NH2 ARG A 102 8.424 -0.225 19.237 1.00 0.00 N ATOM 0 H ARG A 102 11.995 5.396 21.386 1.00 0.00 H new ATOM 0 HA ARG A 102 10.223 5.978 19.083 1.00 0.00 H new ATOM 0 HB2 ARG A 102 9.812 4.271 21.354 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.783 5.674 21.557 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.531 5.215 19.642 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.823 4.312 18.877 1.00 0.00 H new ATOM 0 HD2 ARG A 102 7.909 3.119 21.422 1.00 0.00 H new ATOM 0 HD3 ARG A 102 6.647 3.216 20.210 1.00 0.00 H new ATOM 0 HE ARG A 102 9.038 2.174 19.002 1.00 0.00 H new ATOM 0 HH11 ARG A 102 6.459 1.328 21.260 1.00 0.00 H new ATOM 0 HH12 ARG A 102 6.572 -0.402 20.919 1.00 0.00 H new ATOM 0 HH21 ARG A 102 9.175 -0.050 18.569 1.00 0.00 H new ATOM 0 HH22 ARG A 102 8.101 -1.178 19.403 1.00 0.00 H new ATOM 1571 N GLY A 103 10.018 8.330 19.792 1.00 0.00 N ATOM 1572 CA GLY A 103 9.899 9.721 20.189 1.00 0.00 C ATOM 1573 C GLY A 103 11.248 10.387 20.377 1.00 0.00 C ATOM 1574 O GLY A 103 11.781 10.996 19.451 1.00 0.00 O ATOM 0 H GLY A 103 9.880 8.155 18.797 1.00 0.00 H new ATOM 0 HA2 GLY A 103 9.331 10.264 19.434 1.00 0.00 H new ATOM 0 HA3 GLY A 103 9.334 9.783 21.119 1.00 0.00 H new ATOM 1578 N ASN A 104 11.799 10.272 21.581 1.00 0.00 N ATOM 1579 CA ASN A 104 13.093 10.871 21.889 1.00 0.00 C ATOM 1580 C ASN A 104 13.780 10.124 23.028 1.00 0.00 C ATOM 1581 O ASN A 104 14.444 10.730 23.869 1.00 0.00 O ATOM 1582 CB ASN A 104 12.921 12.345 22.261 1.00 0.00 C ATOM 1583 CG ASN A 104 12.549 13.203 21.068 1.00 0.00 C ATOM 1584 OD1 ASN A 104 13.248 13.214 20.055 1.00 0.00 O ATOM 1585 ND2 ASN A 104 11.441 13.927 21.182 1.00 0.00 N ATOM 0 H ASN A 104 11.370 9.770 22.359 1.00 0.00 H new ATOM 0 HA ASN A 104 13.720 10.799 21.000 1.00 0.00 H new ATOM 0 HB2 ASN A 104 12.149 12.436 23.025 1.00 0.00 H new ATOM 0 HB3 ASN A 104 13.848 12.717 22.698 1.00 0.00 H new ATOM 0 HD21 ASN A 104 11.139 14.523 20.411 1.00 0.00 H new ATOM 0 HD22 ASN A 104 10.892 13.887 22.041 1.00 0.00 H new ATOM 1592 N GLU A 105 13.617 8.805 23.048 1.00 0.00 N ATOM 1593 CA GLU A 105 14.221 7.976 24.084 1.00 0.00 C ATOM 1594 C GLU A 105 14.321 6.523 23.629 1.00 0.00 C ATOM 1595 O GLU A 105 13.857 6.167 22.545 1.00 0.00 O ATOM 1596 CB GLU A 105 13.408 8.063 25.377 1.00 0.00 C ATOM 1597 CG GLU A 105 11.908 7.947 25.162 1.00 0.00 C ATOM 1598 CD GLU A 105 11.131 7.936 26.464 1.00 0.00 C ATOM 1599 OE1 GLU A 105 11.356 8.840 27.295 1.00 0.00 O ATOM 1600 OE2 GLU A 105 10.299 7.023 26.651 1.00 0.00 O ATOM 0 H GLU A 105 13.072 8.288 22.358 1.00 0.00 H new ATOM 0 HA GLU A 105 15.228 8.350 24.271 1.00 0.00 H new ATOM 0 HB2 GLU A 105 13.732 7.272 26.054 1.00 0.00 H new ATOM 0 HB3 GLU A 105 13.624 9.012 25.869 1.00 0.00 H new ATOM 0 HG2 GLU A 105 11.567 8.780 24.547 1.00 0.00 H new ATOM 0 HG3 GLU A 105 11.694 7.033 24.608 1.00 0.00 H new ATOM 1607 N ASP A 106 14.928 5.688 24.464 1.00 0.00 N ATOM 1608 CA ASP A 106 15.089 4.273 24.150 1.00 0.00 C ATOM 1609 C ASP A 106 14.119 3.422 24.964 1.00 0.00 C ATOM 1610 O ASP A 106 14.130 3.457 26.195 1.00 0.00 O ATOM 1611 CB ASP A 106 16.527 3.828 24.419 1.00 0.00 C ATOM 1612 CG ASP A 106 16.934 4.027 25.866 1.00 0.00 C ATOM 1613 OD1 ASP A 106 16.681 3.117 26.683 1.00 0.00 O ATOM 1614 OD2 ASP A 106 17.504 5.093 26.181 1.00 0.00 O ATOM 0 H ASP A 106 15.317 5.967 25.365 1.00 0.00 H new ATOM 0 HA ASP A 106 14.867 4.134 23.092 1.00 0.00 H new ATOM 0 HB2 ASP A 106 16.634 2.776 24.156 1.00 0.00 H new ATOM 0 HB3 ASP A 106 17.204 4.388 23.774 1.00 0.00 H new ATOM 1619 N ILE A 107 13.282 2.659 24.269 1.00 0.00 N ATOM 1620 CA ILE A 107 12.307 1.799 24.928 1.00 0.00 C ATOM 1621 C ILE A 107 12.644 0.326 24.721 1.00 0.00 C ATOM 1622 O ILE A 107 13.103 -0.071 23.651 1.00 0.00 O ATOM 1623 CB ILE A 107 10.881 2.066 24.411 1.00 0.00 C ATOM 1624 CG1 ILE A 107 10.537 3.551 24.543 1.00 0.00 C ATOM 1625 CG2 ILE A 107 9.875 1.214 25.170 1.00 0.00 C ATOM 1626 CD1 ILE A 107 9.221 3.926 23.898 1.00 0.00 C ATOM 0 H ILE A 107 13.260 2.619 23.250 1.00 0.00 H new ATOM 0 HA ILE A 107 12.348 2.032 25.992 1.00 0.00 H new ATOM 0 HB ILE A 107 10.836 1.794 23.356 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.503 3.815 25.600 1.00 0.00 H new ATOM 0 HG13 ILE A 107 11.335 4.142 24.093 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.872 1.414 24.794 1.00 0.00 H new ATOM 0 HG22 ILE A 107 10.112 0.159 25.030 1.00 0.00 H new ATOM 0 HG23 ILE A 107 9.919 1.458 26.231 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.042 4.993 24.030 1.00 0.00 H new ATOM 0 HD12 ILE A 107 9.258 3.694 22.834 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.413 3.362 24.365 1.00 0.00 H new ATOM 1638 N MET A 108 12.410 -0.479 25.752 1.00 0.00 N ATOM 1639 CA MET A 108 12.686 -1.910 25.682 1.00 0.00 C ATOM 1640 C MET A 108 11.454 -2.678 25.214 1.00 0.00 C ATOM 1641 O MET A 108 10.329 -2.359 25.599 1.00 0.00 O ATOM 1642 CB MET A 108 13.139 -2.431 27.047 1.00 0.00 C ATOM 1643 CG MET A 108 14.606 -2.167 27.342 1.00 0.00 C ATOM 1644 SD MET A 108 15.319 -3.384 28.466 1.00 0.00 S ATOM 1645 CE MET A 108 16.775 -3.879 27.549 1.00 0.00 C ATOM 0 H MET A 108 12.030 -0.166 26.645 1.00 0.00 H new ATOM 0 HA MET A 108 13.486 -2.066 24.959 1.00 0.00 H new ATOM 0 HB2 MET A 108 12.531 -1.967 27.824 1.00 0.00 H new ATOM 0 HB3 MET A 108 12.954 -3.504 27.097 1.00 0.00 H new ATOM 0 HG2 MET A 108 15.167 -2.169 26.407 1.00 0.00 H new ATOM 0 HG3 MET A 108 14.712 -1.172 27.775 1.00 0.00 H new ATOM 0 HE1 MET A 108 17.324 -4.631 28.116 1.00 0.00 H new ATOM 0 HE2 MET A 108 16.475 -4.297 26.588 1.00 0.00 H new ATOM 0 HE3 MET A 108 17.414 -3.011 27.384 1.00 0.00 H new ATOM 1655 N ILE A 109 11.675 -3.691 24.382 1.00 0.00 N ATOM 1656 CA ILE A 109 10.583 -4.505 23.863 1.00 0.00 C ATOM 1657 C ILE A 109 10.802 -5.981 24.174 1.00 0.00 C ATOM 1658 O ILE A 109 11.538 -6.674 23.470 1.00 0.00 O ATOM 1659 CB ILE A 109 10.424 -4.330 22.341 1.00 0.00 C ATOM 1660 CG1 ILE A 109 10.255 -2.850 21.991 1.00 0.00 C ATOM 1661 CG2 ILE A 109 9.239 -5.139 21.836 1.00 0.00 C ATOM 1662 CD1 ILE A 109 9.042 -2.213 22.631 1.00 0.00 C ATOM 0 H ILE A 109 12.600 -3.967 24.053 1.00 0.00 H new ATOM 0 HA ILE A 109 9.673 -4.164 24.356 1.00 0.00 H new ATOM 0 HB ILE A 109 11.325 -4.699 21.851 1.00 0.00 H new ATOM 0 HG12 ILE A 109 11.147 -2.307 22.302 1.00 0.00 H new ATOM 0 HG13 ILE A 109 10.181 -2.747 20.908 1.00 0.00 H new ATOM 0 HG21 ILE A 109 9.140 -5.005 20.759 1.00 0.00 H new ATOM 0 HG22 ILE A 109 9.398 -6.194 22.057 1.00 0.00 H new ATOM 0 HG23 ILE A 109 8.329 -4.798 22.330 1.00 0.00 H new ATOM 0 HD11 ILE A 109 8.985 -1.164 22.339 1.00 0.00 H new ATOM 0 HD12 ILE A 109 8.142 -2.731 22.300 1.00 0.00 H new ATOM 0 HD13 ILE A 109 9.123 -2.284 23.716 1.00 0.00 H new ATOM 1674 N THR A 110 10.156 -6.460 25.233 1.00 0.00 N ATOM 1675 CA THR A 110 10.279 -7.854 25.638 1.00 0.00 C ATOM 1676 C THR A 110 9.320 -8.741 24.852 1.00 0.00 C ATOM 1677 O THR A 110 8.101 -8.600 24.956 1.00 0.00 O ATOM 1678 CB THR A 110 10.005 -8.029 27.144 1.00 0.00 C ATOM 1679 OG1 THR A 110 10.734 -7.049 27.891 1.00 0.00 O ATOM 1680 CG2 THR A 110 10.398 -9.423 27.607 1.00 0.00 C ATOM 0 H THR A 110 9.542 -5.902 25.826 1.00 0.00 H new ATOM 0 HA THR A 110 11.305 -8.155 25.426 1.00 0.00 H new ATOM 0 HB THR A 110 8.937 -7.895 27.315 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.553 -7.166 28.847 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.195 -9.523 28.673 1.00 0.00 H new ATOM 0 HG22 THR A 110 9.820 -10.166 27.057 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.461 -9.581 27.423 1.00 0.00 H new ATOM 1688 N VAL A 111 9.877 -9.657 24.066 1.00 0.00 N ATOM 1689 CA VAL A 111 9.070 -10.569 23.264 1.00 0.00 C ATOM 1690 C VAL A 111 9.439 -12.021 23.545 1.00 0.00 C ATOM 1691 O VAL A 111 10.609 -12.347 23.749 1.00 0.00 O ATOM 1692 CB VAL A 111 9.238 -10.291 21.759 1.00 0.00 C ATOM 1693 CG1 VAL A 111 8.463 -11.309 20.937 1.00 0.00 C ATOM 1694 CG2 VAL A 111 8.792 -8.875 21.426 1.00 0.00 C ATOM 0 H VAL A 111 10.884 -9.787 23.968 1.00 0.00 H new ATOM 0 HA VAL A 111 8.030 -10.400 23.544 1.00 0.00 H new ATOM 0 HB VAL A 111 10.294 -10.384 21.506 1.00 0.00 H new ATOM 0 HG11 VAL A 111 8.594 -11.096 19.876 1.00 0.00 H new ATOM 0 HG12 VAL A 111 8.834 -12.311 21.154 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.404 -11.251 21.190 1.00 0.00 H new ATOM 0 HG21 VAL A 111 8.918 -8.696 20.358 1.00 0.00 H new ATOM 0 HG22 VAL A 111 7.743 -8.752 21.694 1.00 0.00 H new ATOM 0 HG23 VAL A 111 9.396 -8.162 21.987 1.00 0.00 H new ATOM 1704 N ILE A 112 8.434 -12.890 23.555 1.00 0.00 N ATOM 1705 CA ILE A 112 8.654 -14.309 23.809 1.00 0.00 C ATOM 1706 C ILE A 112 8.365 -15.142 22.565 1.00 0.00 C ATOM 1707 O ILE A 112 7.254 -15.628 22.357 1.00 0.00 O ATOM 1708 CB ILE A 112 7.774 -14.815 24.967 1.00 0.00 C ATOM 1709 CG1 ILE A 112 7.904 -13.890 26.179 1.00 0.00 C ATOM 1710 CG2 ILE A 112 8.157 -16.240 25.339 1.00 0.00 C ATOM 1711 CD1 ILE A 112 9.327 -13.732 26.668 1.00 0.00 C ATOM 0 H ILE A 112 7.460 -12.637 23.390 1.00 0.00 H new ATOM 0 HA ILE A 112 9.703 -14.422 24.083 1.00 0.00 H new ATOM 0 HB ILE A 112 6.734 -14.811 24.641 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.506 -12.909 25.921 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.290 -14.280 26.991 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.526 -16.584 26.159 1.00 0.00 H new ATOM 0 HG22 ILE A 112 8.018 -16.891 24.476 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.202 -16.267 25.649 1.00 0.00 H new ATOM 0 HD11 ILE A 112 9.344 -13.063 27.529 1.00 0.00 H new ATOM 0 HD12 ILE A 112 9.723 -14.706 26.957 1.00 0.00 H new ATOM 0 HD13 ILE A 112 9.941 -13.313 25.871 1.00 0.00 H new ATOM 1723 N PRO A 113 9.390 -15.312 21.717 1.00 0.00 N ATOM 1724 CA PRO A 113 9.273 -16.088 20.479 1.00 0.00 C ATOM 1725 C PRO A 113 9.116 -17.582 20.744 1.00 0.00 C ATOM 1726 O PRO A 113 9.874 -18.166 21.518 1.00 0.00 O ATOM 1727 CB PRO A 113 10.594 -15.809 19.758 1.00 0.00 C ATOM 1728 CG PRO A 113 11.552 -15.461 20.844 1.00 0.00 C ATOM 1729 CD PRO A 113 10.743 -14.760 21.901 1.00 0.00 C ATOM 0 HA PRO A 113 8.391 -15.807 19.904 1.00 0.00 H new ATOM 0 HB2 PRO A 113 10.931 -16.681 19.197 1.00 0.00 H new ATOM 0 HB3 PRO A 113 10.491 -14.992 19.044 1.00 0.00 H new ATOM 0 HG2 PRO A 113 12.028 -16.355 21.246 1.00 0.00 H new ATOM 0 HG3 PRO A 113 12.348 -14.817 20.471 1.00 0.00 H new ATOM 0 HD2 PRO A 113 11.127 -14.962 22.901 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.757 -13.678 21.767 1.00 0.00 H new ATOM 1737 N GLU A 114 8.129 -18.193 20.097 1.00 0.00 N ATOM 1738 CA GLU A 114 7.874 -19.619 20.264 1.00 0.00 C ATOM 1739 C GLU A 114 8.656 -20.435 19.240 1.00 0.00 C ATOM 1740 O GLU A 114 8.772 -20.045 18.079 1.00 0.00 O ATOM 1741 CB GLU A 114 6.378 -19.911 20.131 1.00 0.00 C ATOM 1742 CG GLU A 114 5.497 -18.947 20.908 1.00 0.00 C ATOM 1743 CD GLU A 114 4.019 -19.185 20.668 1.00 0.00 C ATOM 1744 OE1 GLU A 114 3.428 -20.015 21.389 1.00 0.00 O ATOM 1745 OE2 GLU A 114 3.454 -18.540 19.760 1.00 0.00 O ATOM 0 H GLU A 114 7.493 -17.723 19.453 1.00 0.00 H new ATOM 0 HA GLU A 114 8.206 -19.907 21.262 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.102 -19.873 19.077 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.183 -20.926 20.476 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.709 -19.045 21.973 1.00 0.00 H new ATOM 0 HG3 GLU A 114 5.747 -17.924 20.626 1.00 0.00 H new