USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 654 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 Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN :FLIP amide:sc= -1.53 F(o=-2.3,f=-1.5) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 150:sc= -1.87! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 85:sc= -0.0113 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -153:sc= -0.0424 (180deg=-0.379) USER MOD Single : A 71 CYS SG : rot 80:sc= -3.25! USER MOD Single : A 78 ASN :FLIP amide:sc= -0.447 F(o=-1.6,f=-0.45) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 167:sc= 0.461 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.735 USER MOD Single : A 92 GLN :FLIP amide:sc= -1.04! F(o=-2.8,f=-1!) USER MOD Single : A 97 LYS NZ :NH3+ -154:sc= 0.775 (180deg=0.352) USER MOD ----------------------------------------------------------------- ATOM 212 N GLU A 18 -10.567 -0.553 6.457 1.00 0.00 N ATOM 213 CA GLU A 18 -11.318 -1.554 5.719 1.00 0.00 C ATOM 214 C GLU A 18 -11.461 -1.136 4.254 1.00 0.00 C ATOM 215 O GLU A 18 -12.025 -0.084 3.957 1.00 0.00 O ATOM 216 CB GLU A 18 -12.688 -1.792 6.357 1.00 0.00 C ATOM 217 CG GLU A 18 -13.633 -0.620 6.083 1.00 0.00 C ATOM 218 CD GLU A 18 -14.887 -0.711 6.954 1.00 0.00 C ATOM 219 OE1 GLU A 18 -15.648 -1.683 6.754 1.00 0.00 O ATOM 220 OE2 GLU A 18 -15.057 0.193 7.800 1.00 0.00 O ATOM 0 HA GLU A 18 -10.768 -2.494 5.757 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -13.121 -2.712 5.964 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.573 -1.927 7.432 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.118 0.320 6.278 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.917 -0.615 5.031 1.00 0.00 H new ATOM 227 N LEU A 19 -10.941 -1.982 3.377 1.00 0.00 N ATOM 228 CA LEU A 19 -11.004 -1.714 1.950 1.00 0.00 C ATOM 229 C LEU A 19 -12.465 -1.727 1.497 1.00 0.00 C ATOM 230 O LEU A 19 -13.332 -2.249 2.197 1.00 0.00 O ATOM 231 CB LEU A 19 -10.113 -2.693 1.182 1.00 0.00 C ATOM 232 CG LEU A 19 -8.623 -2.349 1.136 1.00 0.00 C ATOM 233 CD1 LEU A 19 -8.391 -1.009 0.436 1.00 0.00 C ATOM 234 CD2 LEU A 19 -8.011 -2.377 2.538 1.00 0.00 C ATOM 0 H LEU A 19 -10.474 -2.854 3.627 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.611 -0.721 1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.224 -3.681 1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.481 -2.762 0.158 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.114 -3.112 0.547 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.324 -0.788 0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.769 -1.062 -0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.915 -0.221 0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.951 -2.129 2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.518 -1.649 3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.127 -3.373 2.966 1.00 0.00 H new ATOM 246 N THR A 20 -12.694 -1.146 0.329 1.00 0.00 N ATOM 247 CA THR A 20 -14.035 -1.083 -0.226 1.00 0.00 C ATOM 248 C THR A 20 -13.978 -1.018 -1.754 1.00 0.00 C ATOM 249 O THR A 20 -12.934 -0.713 -2.327 1.00 0.00 O ATOM 250 CB THR A 20 -14.754 0.110 0.406 1.00 0.00 C ATOM 251 OG1 THR A 20 -14.093 1.246 -0.146 1.00 0.00 O ATOM 252 CG2 THR A 20 -14.492 0.222 1.910 1.00 0.00 C ATOM 0 H THR A 20 -11.973 -0.714 -0.249 1.00 0.00 H new ATOM 0 HA THR A 20 -14.602 -1.984 0.009 1.00 0.00 H new ATOM 0 HB THR A 20 -15.826 0.023 0.229 1.00 0.00 H new ATOM 0 HG1 THR A 20 -14.498 2.065 0.209 1.00 0.00 H new ATOM 0 HG21 THR A 20 -15.025 1.085 2.309 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.841 -0.682 2.408 1.00 0.00 H new ATOM 0 HG23 THR A 20 -13.423 0.343 2.085 1.00 0.00 H new ATOM 260 N GLU A 21 -15.114 -1.311 -2.369 1.00 0.00 N ATOM 261 CA GLU A 21 -15.207 -1.289 -3.819 1.00 0.00 C ATOM 262 C GLU A 21 -14.319 -0.182 -4.392 1.00 0.00 C ATOM 263 O GLU A 21 -13.718 -0.350 -5.452 1.00 0.00 O ATOM 264 CB GLU A 21 -16.658 -1.119 -4.274 1.00 0.00 C ATOM 265 CG GLU A 21 -16.946 -1.965 -5.516 1.00 0.00 C ATOM 266 CD GLU A 21 -17.960 -1.271 -6.428 1.00 0.00 C ATOM 267 OE1 GLU A 21 -18.994 -0.820 -5.889 1.00 0.00 O ATOM 268 OE2 GLU A 21 -17.678 -1.206 -7.644 1.00 0.00 O ATOM 0 H GLU A 21 -15.978 -1.565 -1.890 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.852 -2.246 -4.200 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.332 -1.409 -3.468 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.854 -0.069 -4.491 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.020 -2.141 -6.063 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -17.329 -2.940 -5.216 1.00 0.00 H new ATOM 275 N ALA A 22 -14.264 0.924 -3.664 1.00 0.00 N ATOM 276 CA ALA A 22 -13.460 2.058 -4.086 1.00 0.00 C ATOM 277 C ALA A 22 -11.978 1.696 -3.976 1.00 0.00 C ATOM 278 O ALA A 22 -11.301 1.521 -4.988 1.00 0.00 O ATOM 279 CB ALA A 22 -13.825 3.283 -3.246 1.00 0.00 C ATOM 0 H ALA A 22 -14.763 1.059 -2.785 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.662 2.305 -5.128 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.222 4.134 -3.562 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.881 3.516 -3.382 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.633 3.073 -2.194 1.00 0.00 H new ATOM 285 N GLU A 23 -11.517 1.593 -2.738 1.00 0.00 N ATOM 286 CA GLU A 23 -10.127 1.255 -2.482 1.00 0.00 C ATOM 287 C GLU A 23 -9.747 -0.025 -3.227 1.00 0.00 C ATOM 288 O GLU A 23 -8.704 -0.083 -3.877 1.00 0.00 O ATOM 289 CB GLU A 23 -9.865 1.114 -0.981 1.00 0.00 C ATOM 290 CG GLU A 23 -10.311 2.368 -0.226 1.00 0.00 C ATOM 291 CD GLU A 23 -9.662 3.623 -0.815 1.00 0.00 C ATOM 292 OE1 GLU A 23 -10.081 4.009 -1.928 1.00 0.00 O ATOM 293 OE2 GLU A 23 -8.763 4.167 -0.139 1.00 0.00 O ATOM 0 H GLU A 23 -12.082 1.738 -1.901 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.501 2.067 -2.852 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.397 0.245 -0.595 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.803 0.940 -0.808 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.396 2.459 -0.274 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.045 2.277 0.827 1.00 0.00 H new ATOM 300 N LEU A 24 -10.613 -1.021 -3.108 1.00 0.00 N ATOM 301 CA LEU A 24 -10.381 -2.297 -3.763 1.00 0.00 C ATOM 302 C LEU A 24 -9.816 -2.052 -5.164 1.00 0.00 C ATOM 303 O LEU A 24 -8.795 -2.628 -5.536 1.00 0.00 O ATOM 304 CB LEU A 24 -11.655 -3.144 -3.753 1.00 0.00 C ATOM 305 CG LEU A 24 -11.818 -4.097 -2.567 1.00 0.00 C ATOM 306 CD1 LEU A 24 -12.252 -3.339 -1.311 1.00 0.00 C ATOM 307 CD2 LEU A 24 -12.777 -5.239 -2.909 1.00 0.00 C ATOM 0 H LEU A 24 -11.477 -0.970 -2.568 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.637 -2.876 -3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.514 -2.473 -3.775 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.685 -3.730 -4.671 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.848 -4.546 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.361 -4.039 -0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.499 -2.592 -1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.206 -2.845 -1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.875 -5.902 -2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.754 -4.829 -3.165 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.386 -5.801 -3.757 1.00 0.00 H new ATOM 319 N VAL A 25 -10.506 -1.195 -5.903 1.00 0.00 N ATOM 320 CA VAL A 25 -10.086 -0.866 -7.255 1.00 0.00 C ATOM 321 C VAL A 25 -8.609 -0.465 -7.242 1.00 0.00 C ATOM 322 O VAL A 25 -7.844 -0.875 -8.113 1.00 0.00 O ATOM 323 CB VAL A 25 -10.995 0.219 -7.835 1.00 0.00 C ATOM 324 CG1 VAL A 25 -10.357 0.868 -9.065 1.00 0.00 C ATOM 325 CG2 VAL A 25 -12.378 -0.345 -8.168 1.00 0.00 C ATOM 0 H VAL A 25 -11.352 -0.719 -5.591 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.181 -1.734 -7.907 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.122 0.991 -7.076 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.023 1.636 -9.458 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.406 1.321 -8.785 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.186 0.110 -9.829 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.005 0.447 -8.579 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.278 -1.145 -8.901 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.838 -0.739 -7.262 1.00 0.00 H new ATOM 335 N THR A 26 -8.254 0.332 -6.245 1.00 0.00 N ATOM 336 CA THR A 26 -6.883 0.792 -6.108 1.00 0.00 C ATOM 337 C THR A 26 -6.005 -0.314 -5.519 1.00 0.00 C ATOM 338 O THR A 26 -4.878 -0.522 -5.967 1.00 0.00 O ATOM 339 CB THR A 26 -6.895 2.071 -5.267 1.00 0.00 C ATOM 340 OG1 THR A 26 -7.344 3.077 -6.171 1.00 0.00 O ATOM 341 CG2 THR A 26 -5.489 2.525 -4.871 1.00 0.00 C ATOM 0 H THR A 26 -8.892 0.671 -5.525 1.00 0.00 H new ATOM 0 HA THR A 26 -6.446 1.028 -7.079 1.00 0.00 H new ATOM 0 HB THR A 26 -7.490 1.908 -4.368 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.383 3.940 -5.707 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.555 3.436 -4.276 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.006 1.743 -4.285 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.903 2.720 -5.769 1.00 0.00 H new ATOM 349 N ALA A 27 -6.554 -0.994 -4.523 1.00 0.00 N ATOM 350 CA ALA A 27 -5.835 -2.073 -3.868 1.00 0.00 C ATOM 351 C ALA A 27 -5.559 -3.185 -4.882 1.00 0.00 C ATOM 352 O ALA A 27 -4.622 -3.965 -4.714 1.00 0.00 O ATOM 353 CB ALA A 27 -6.641 -2.568 -2.665 1.00 0.00 C ATOM 0 H ALA A 27 -7.488 -0.818 -4.154 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.874 -1.722 -3.494 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.101 -3.378 -2.174 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.785 -1.748 -1.961 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.612 -2.931 -3.002 1.00 0.00 H new ATOM 359 N GLU A 28 -6.390 -3.222 -5.913 1.00 0.00 N ATOM 360 CA GLU A 28 -6.247 -4.226 -6.954 1.00 0.00 C ATOM 361 C GLU A 28 -5.267 -3.743 -8.025 1.00 0.00 C ATOM 362 O GLU A 28 -4.489 -4.532 -8.559 1.00 0.00 O ATOM 363 CB GLU A 28 -7.604 -4.575 -7.569 1.00 0.00 C ATOM 364 CG GLU A 28 -8.331 -5.629 -6.732 1.00 0.00 C ATOM 365 CD GLU A 28 -8.013 -7.040 -7.232 1.00 0.00 C ATOM 366 OE1 GLU A 28 -8.023 -7.219 -8.469 1.00 0.00 O ATOM 367 OE2 GLU A 28 -7.768 -7.908 -6.366 1.00 0.00 O ATOM 0 H GLU A 28 -7.165 -2.573 -6.050 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.845 -5.134 -6.504 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.217 -3.676 -7.640 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.463 -4.946 -8.584 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.037 -5.535 -5.687 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.406 -5.457 -6.778 1.00 0.00 H new ATOM 374 N ALA A 29 -5.337 -2.451 -8.306 1.00 0.00 N ATOM 375 CA ALA A 29 -4.465 -1.854 -9.304 1.00 0.00 C ATOM 376 C ALA A 29 -3.026 -1.854 -8.783 1.00 0.00 C ATOM 377 O ALA A 29 -2.082 -2.001 -9.558 1.00 0.00 O ATOM 378 CB ALA A 29 -4.963 -0.447 -9.641 1.00 0.00 C ATOM 0 H ALA A 29 -5.984 -1.800 -7.860 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.482 -2.435 -10.226 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.309 0.001 -10.389 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.978 -0.505 -10.034 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.957 0.167 -8.740 1.00 0.00 H new ATOM 384 N VAL A 30 -2.904 -1.688 -7.475 1.00 0.00 N ATOM 385 CA VAL A 30 -1.597 -1.667 -6.842 1.00 0.00 C ATOM 386 C VAL A 30 -1.012 -3.081 -6.841 1.00 0.00 C ATOM 387 O VAL A 30 0.174 -3.267 -7.110 1.00 0.00 O ATOM 388 CB VAL A 30 -1.703 -1.064 -5.440 1.00 0.00 C ATOM 389 CG1 VAL A 30 -0.345 -1.069 -4.735 1.00 0.00 C ATOM 390 CG2 VAL A 30 -2.287 0.350 -5.494 1.00 0.00 C ATOM 0 H VAL A 30 -3.689 -1.567 -6.836 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.912 -1.032 -7.404 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.384 -1.687 -4.859 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.450 -0.635 -3.741 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.016 -2.094 -4.647 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.368 -0.482 -5.314 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.352 0.756 -4.484 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.643 0.987 -6.100 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.283 0.316 -5.936 1.00 0.00 H new ATOM 400 N ARG A 31 -1.872 -4.042 -6.536 1.00 0.00 N ATOM 401 CA ARG A 31 -1.456 -5.433 -6.497 1.00 0.00 C ATOM 402 C ARG A 31 -0.796 -5.827 -7.820 1.00 0.00 C ATOM 403 O ARG A 31 0.128 -6.640 -7.839 1.00 0.00 O ATOM 404 CB ARG A 31 -2.647 -6.357 -6.235 1.00 0.00 C ATOM 405 CG ARG A 31 -2.250 -7.518 -5.321 1.00 0.00 C ATOM 406 CD ARG A 31 -3.476 -8.336 -4.910 1.00 0.00 C ATOM 407 NE ARG A 31 -4.444 -7.474 -4.196 1.00 0.00 N ATOM 408 CZ ARG A 31 -5.542 -7.930 -3.577 1.00 0.00 C ATOM 409 NH1 ARG A 31 -5.818 -9.241 -3.582 1.00 0.00 N ATOM 410 NH2 ARG A 31 -6.364 -7.074 -2.955 1.00 0.00 N ATOM 0 H ARG A 31 -2.855 -3.884 -6.314 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.740 -5.542 -5.683 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.458 -5.790 -5.777 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.024 -6.747 -7.180 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.535 -8.161 -5.834 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.751 -7.132 -4.432 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.946 -8.771 -5.792 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.173 -9.164 -4.270 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.264 -6.470 -4.173 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.193 -9.892 -4.057 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.654 -9.588 -3.111 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.154 -6.076 -2.953 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.200 -7.421 -2.484 1.00 0.00 H new ATOM 424 N SER A 32 -1.295 -5.233 -8.894 1.00 0.00 N ATOM 425 CA SER A 32 -0.764 -5.512 -10.218 1.00 0.00 C ATOM 426 C SER A 32 0.602 -4.844 -10.385 1.00 0.00 C ATOM 427 O SER A 32 1.449 -5.334 -11.131 1.00 0.00 O ATOM 428 CB SER A 32 -1.726 -5.034 -11.308 1.00 0.00 C ATOM 429 OG SER A 32 -1.378 -5.550 -12.590 1.00 0.00 O ATOM 0 H SER A 32 -2.061 -4.560 -8.875 1.00 0.00 H new ATOM 0 HA SER A 32 -0.648 -6.591 -10.321 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.741 -5.342 -11.056 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.723 -3.945 -11.342 1.00 0.00 H new ATOM 0 HG SER A 32 -2.016 -5.224 -13.258 1.00 0.00 H new ATOM 435 N VAL A 33 0.774 -3.736 -9.679 1.00 0.00 N ATOM 436 CA VAL A 33 2.024 -2.997 -9.740 1.00 0.00 C ATOM 437 C VAL A 33 3.146 -3.849 -9.146 1.00 0.00 C ATOM 438 O VAL A 33 4.219 -3.968 -9.735 1.00 0.00 O ATOM 439 CB VAL A 33 1.866 -1.644 -9.042 1.00 0.00 C ATOM 440 CG1 VAL A 33 3.173 -0.850 -9.084 1.00 0.00 C ATOM 441 CG2 VAL A 33 0.716 -0.842 -9.654 1.00 0.00 C ATOM 0 H VAL A 33 0.069 -3.332 -9.062 1.00 0.00 H new ATOM 0 HA VAL A 33 2.292 -2.785 -10.775 1.00 0.00 H new ATOM 0 HB VAL A 33 1.622 -1.833 -7.996 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.034 0.107 -8.581 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.958 -1.414 -8.580 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.460 -0.677 -10.121 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.626 0.115 -9.140 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.916 -0.668 -10.711 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.214 -1.400 -9.548 1.00 0.00 H new ATOM 451 N TRP A 34 2.860 -4.421 -7.985 1.00 0.00 N ATOM 452 CA TRP A 34 3.832 -5.259 -7.304 1.00 0.00 C ATOM 453 C TRP A 34 4.194 -6.416 -8.237 1.00 0.00 C ATOM 454 O TRP A 34 5.356 -6.580 -8.607 1.00 0.00 O ATOM 455 CB TRP A 34 3.298 -5.729 -5.950 1.00 0.00 C ATOM 456 CG TRP A 34 3.122 -4.605 -4.927 1.00 0.00 C ATOM 457 CD1 TRP A 34 2.597 -3.387 -5.121 1.00 0.00 C ATOM 458 CD2 TRP A 34 3.495 -4.644 -3.533 1.00 0.00 C ATOM 459 NE1 TRP A 34 2.604 -2.642 -3.959 1.00 0.00 N ATOM 460 CE2 TRP A 34 3.168 -3.431 -2.963 1.00 0.00 C ATOM 461 CE3 TRP A 34 4.089 -5.672 -2.779 1.00 0.00 C ATOM 462 CZ2 TRP A 34 3.397 -3.131 -1.615 1.00 0.00 C ATOM 463 CZ3 TRP A 34 4.311 -5.356 -1.433 1.00 0.00 C ATOM 464 CH2 TRP A 34 3.988 -4.139 -0.844 1.00 0.00 C ATOM 0 H TRP A 34 1.969 -4.320 -7.499 1.00 0.00 H new ATOM 0 HA TRP A 34 4.737 -4.695 -7.080 1.00 0.00 H new ATOM 0 HB2 TRP A 34 2.338 -6.223 -6.101 1.00 0.00 H new ATOM 0 HB3 TRP A 34 3.979 -6.475 -5.541 1.00 0.00 H new ATOM 0 HD1 TRP A 34 2.216 -3.033 -6.068 1.00 0.00 H new ATOM 0 HE1 TRP A 34 2.259 -1.688 -3.851 1.00 0.00 H new ATOM 0 HE3 TRP A 34 4.353 -6.629 -3.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 3.132 -2.173 -1.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 4.765 -6.111 -0.808 1.00 0.00 H new ATOM 0 HH2 TRP A 34 4.192 -3.972 0.203 1.00 0.00 H new ATOM 475 N GLN A 35 3.179 -7.190 -8.591 1.00 0.00 N ATOM 476 CA GLN A 35 3.376 -8.327 -9.474 1.00 0.00 C ATOM 477 C GLN A 35 4.167 -7.905 -10.714 1.00 0.00 C ATOM 478 O GLN A 35 5.237 -8.447 -10.986 1.00 0.00 O ATOM 479 CB GLN A 35 2.037 -8.956 -9.865 1.00 0.00 C ATOM 480 CG GLN A 35 1.320 -9.526 -8.639 1.00 0.00 C ATOM 481 CD GLN A 35 1.357 -11.055 -8.644 1.00 0.00 C ATOM 482 OE1 GLN A 35 2.585 -11.566 -8.649 1.00 0.00 O flip ATOM 483 NE2 GLN A 35 0.339 -11.727 -8.642 1.00 0.00 N flip ATOM 0 H GLN A 35 2.217 -7.052 -8.282 1.00 0.00 H new ATOM 0 HA GLN A 35 3.952 -9.082 -8.939 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.406 -8.208 -10.345 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.203 -9.748 -10.595 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.791 -9.150 -7.731 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.285 -9.184 -8.627 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.573 -11.271 -8.638 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.400 -12.745 -8.644 1.00 0.00 H new ATOM 492 N ARG A 36 3.609 -6.943 -11.433 1.00 0.00 N ATOM 493 CA ARG A 36 4.249 -6.442 -12.638 1.00 0.00 C ATOM 494 C ARG A 36 5.735 -6.184 -12.382 1.00 0.00 C ATOM 495 O ARG A 36 6.586 -6.610 -13.160 1.00 0.00 O ATOM 496 CB ARG A 36 3.588 -5.147 -13.115 1.00 0.00 C ATOM 497 CG ARG A 36 2.369 -5.444 -13.991 1.00 0.00 C ATOM 498 CD ARG A 36 1.886 -4.180 -14.706 1.00 0.00 C ATOM 499 NE ARG A 36 1.293 -4.534 -16.015 1.00 0.00 N ATOM 500 CZ ARG A 36 0.516 -3.714 -16.734 1.00 0.00 C ATOM 501 NH1 ARG A 36 0.233 -2.487 -16.276 1.00 0.00 N ATOM 502 NH2 ARG A 36 0.022 -4.119 -17.912 1.00 0.00 N ATOM 0 H ARG A 36 2.721 -6.497 -11.205 1.00 0.00 H new ATOM 0 HA ARG A 36 4.137 -7.200 -13.413 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.285 -4.551 -12.254 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.308 -4.553 -13.677 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.623 -6.208 -14.726 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.565 -5.848 -13.376 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.149 -3.664 -14.091 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.719 -3.492 -14.849 1.00 0.00 H new ATOM 0 HE ARG A 36 1.488 -5.461 -16.393 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.609 -2.178 -15.380 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.359 -1.862 -16.824 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.238 -5.053 -18.262 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.570 -3.494 -18.459 1.00 0.00 H new ATOM 516 N ILE A 37 6.001 -5.486 -11.287 1.00 0.00 N ATOM 517 CA ILE A 37 7.370 -5.166 -10.919 1.00 0.00 C ATOM 518 C ILE A 37 8.109 -6.454 -10.550 1.00 0.00 C ATOM 519 O ILE A 37 8.958 -6.924 -11.306 1.00 0.00 O ATOM 520 CB ILE A 37 7.393 -4.106 -9.816 1.00 0.00 C ATOM 521 CG1 ILE A 37 6.875 -2.763 -10.334 1.00 0.00 C ATOM 522 CG2 ILE A 37 8.790 -3.984 -9.202 1.00 0.00 C ATOM 523 CD1 ILE A 37 6.836 -1.721 -9.214 1.00 0.00 C ATOM 0 H ILE A 37 5.292 -5.134 -10.644 1.00 0.00 H new ATOM 0 HA ILE A 37 7.899 -4.726 -11.764 1.00 0.00 H new ATOM 0 HB ILE A 37 6.719 -4.425 -9.021 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.515 -2.410 -11.142 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.876 -2.891 -10.751 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.779 -3.224 -8.421 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.084 -4.942 -8.772 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.504 -3.699 -9.975 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.464 -0.776 -9.609 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.176 -2.066 -8.418 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.840 -1.578 -8.815 1.00 0.00 H new ATOM 535 N LEU A 38 7.759 -6.987 -9.389 1.00 0.00 N ATOM 536 CA LEU A 38 8.378 -8.212 -8.911 1.00 0.00 C ATOM 537 C LEU A 38 8.078 -9.347 -9.892 1.00 0.00 C ATOM 538 O LEU A 38 6.936 -9.791 -10.003 1.00 0.00 O ATOM 539 CB LEU A 38 7.941 -8.508 -7.475 1.00 0.00 C ATOM 540 CG LEU A 38 8.176 -7.390 -6.458 1.00 0.00 C ATOM 541 CD1 LEU A 38 7.207 -7.507 -5.280 1.00 0.00 C ATOM 542 CD2 LEU A 38 9.635 -7.364 -5.999 1.00 0.00 C ATOM 0 H LEU A 38 7.055 -6.593 -8.765 1.00 0.00 H new ATOM 0 HA LEU A 38 9.462 -8.102 -8.873 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.878 -8.748 -7.482 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.467 -9.400 -7.133 1.00 0.00 H new ATOM 0 HG LEU A 38 7.975 -6.437 -6.947 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.396 -6.700 -4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.182 -7.438 -5.644 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.352 -8.467 -4.784 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.775 -6.560 -5.276 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.887 -8.317 -5.535 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.284 -7.196 -6.859 1.00 0.00 H new ATOM 554 N PRO A 39 9.151 -9.795 -10.598 1.00 0.00 N ATOM 555 CA PRO A 39 9.013 -10.870 -11.566 1.00 0.00 C ATOM 556 C PRO A 39 8.864 -12.223 -10.866 1.00 0.00 C ATOM 557 O PRO A 39 7.787 -12.816 -10.877 1.00 0.00 O ATOM 558 CB PRO A 39 10.261 -10.783 -12.430 1.00 0.00 C ATOM 559 CG PRO A 39 11.265 -9.968 -11.632 1.00 0.00 C ATOM 560 CD PRO A 39 10.518 -9.293 -10.493 1.00 0.00 C ATOM 0 HA PRO A 39 8.114 -10.775 -12.176 1.00 0.00 H new ATOM 0 HB2 PRO A 39 10.652 -11.776 -12.652 1.00 0.00 H new ATOM 0 HB3 PRO A 39 10.042 -10.306 -13.385 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.055 -10.611 -11.243 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.744 -9.224 -12.268 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.958 -9.542 -9.528 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.550 -8.208 -10.587 1.00 0.00 H new ATOM 568 N LYS A 40 9.962 -12.671 -10.275 1.00 0.00 N ATOM 569 CA LYS A 40 9.967 -13.943 -9.572 1.00 0.00 C ATOM 570 C LYS A 40 8.642 -14.113 -8.826 1.00 0.00 C ATOM 571 O LYS A 40 8.049 -15.191 -8.845 1.00 0.00 O ATOM 572 CB LYS A 40 11.198 -14.051 -8.670 1.00 0.00 C ATOM 573 CG LYS A 40 12.484 -14.068 -9.499 1.00 0.00 C ATOM 574 CD LYS A 40 12.921 -15.502 -9.805 1.00 0.00 C ATOM 575 CE LYS A 40 12.883 -15.777 -11.309 1.00 0.00 C ATOM 576 NZ LYS A 40 13.432 -17.120 -11.605 1.00 0.00 N ATOM 0 H LYS A 40 10.854 -12.176 -10.268 1.00 0.00 H new ATOM 0 HA LYS A 40 10.044 -14.769 -10.279 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.220 -13.211 -7.976 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.135 -14.959 -8.070 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.327 -13.525 -10.431 1.00 0.00 H new ATOM 0 HG3 LYS A 40 13.276 -13.550 -8.958 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.930 -15.667 -9.427 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.267 -16.204 -9.287 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.857 -15.709 -11.671 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.459 -15.018 -11.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.399 -17.290 -12.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.418 -17.172 -11.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.866 -17.842 -11.116 1.00 0.00 H new ATOM 590 N VAL A 41 8.216 -13.034 -8.186 1.00 0.00 N ATOM 591 CA VAL A 41 6.972 -13.050 -7.436 1.00 0.00 C ATOM 592 C VAL A 41 5.847 -13.570 -8.333 1.00 0.00 C ATOM 593 O VAL A 41 5.448 -12.900 -9.285 1.00 0.00 O ATOM 594 CB VAL A 41 6.687 -11.660 -6.864 1.00 0.00 C ATOM 595 CG1 VAL A 41 5.282 -11.592 -6.262 1.00 0.00 C ATOM 596 CG2 VAL A 41 7.746 -11.264 -5.832 1.00 0.00 C ATOM 0 H VAL A 41 8.711 -12.142 -8.172 1.00 0.00 H new ATOM 0 HA VAL A 41 7.048 -13.727 -6.585 1.00 0.00 H new ATOM 0 HB VAL A 41 6.735 -10.944 -7.684 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.105 -10.593 -5.863 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.544 -11.810 -7.034 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.194 -12.324 -5.460 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.520 -10.272 -5.441 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.745 -11.985 -5.015 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.728 -11.253 -6.305 1.00 0.00 H new ATOM 606 N LEU A 42 5.367 -14.758 -7.998 1.00 0.00 N ATOM 607 CA LEU A 42 4.296 -15.375 -8.762 1.00 0.00 C ATOM 608 C LEU A 42 2.949 -14.851 -8.258 1.00 0.00 C ATOM 609 O LEU A 42 1.970 -14.828 -9.003 1.00 0.00 O ATOM 610 CB LEU A 42 4.417 -16.900 -8.720 1.00 0.00 C ATOM 611 CG LEU A 42 5.435 -17.518 -9.680 1.00 0.00 C ATOM 612 CD1 LEU A 42 6.509 -18.294 -8.915 1.00 0.00 C ATOM 613 CD2 LEU A 42 4.740 -18.386 -10.731 1.00 0.00 C ATOM 0 H LEU A 42 5.700 -15.310 -7.208 1.00 0.00 H new ATOM 0 HA LEU A 42 4.372 -15.101 -9.814 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.679 -17.196 -7.704 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.438 -17.328 -8.935 1.00 0.00 H new ATOM 0 HG LEU A 42 5.938 -16.710 -10.211 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.220 -18.723 -9.621 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.032 -17.619 -8.238 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.041 -19.093 -8.341 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.486 -18.813 -11.401 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.194 -19.189 -10.236 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.044 -17.775 -11.306 1.00 0.00 H new ATOM 625 N GLU A 43 2.943 -14.443 -6.997 1.00 0.00 N ATOM 626 CA GLU A 43 1.733 -13.921 -6.386 1.00 0.00 C ATOM 627 C GLU A 43 2.085 -12.916 -5.287 1.00 0.00 C ATOM 628 O GLU A 43 3.148 -13.007 -4.675 1.00 0.00 O ATOM 629 CB GLU A 43 0.865 -15.054 -5.835 1.00 0.00 C ATOM 630 CG GLU A 43 1.536 -15.725 -4.635 1.00 0.00 C ATOM 631 CD GLU A 43 1.143 -17.201 -4.542 1.00 0.00 C ATOM 632 OE1 GLU A 43 1.832 -18.014 -5.196 1.00 0.00 O ATOM 633 OE2 GLU A 43 0.163 -17.483 -3.820 1.00 0.00 O ATOM 0 H GLU A 43 3.757 -14.464 -6.382 1.00 0.00 H new ATOM 0 HA GLU A 43 1.155 -13.404 -7.153 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.108 -14.661 -5.539 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.686 -15.793 -6.616 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.619 -15.638 -4.724 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.249 -15.210 -3.718 1.00 0.00 H new ATOM 640 N VAL A 44 1.172 -11.980 -5.071 1.00 0.00 N ATOM 641 CA VAL A 44 1.372 -10.959 -4.058 1.00 0.00 C ATOM 642 C VAL A 44 0.332 -11.135 -2.950 1.00 0.00 C ATOM 643 O VAL A 44 -0.855 -10.893 -3.164 1.00 0.00 O ATOM 644 CB VAL A 44 1.334 -9.570 -4.699 1.00 0.00 C ATOM 645 CG1 VAL A 44 0.803 -8.526 -3.714 1.00 0.00 C ATOM 646 CG2 VAL A 44 2.713 -9.173 -5.229 1.00 0.00 C ATOM 0 H VAL A 44 0.292 -11.908 -5.581 1.00 0.00 H new ATOM 0 HA VAL A 44 2.356 -11.064 -3.600 1.00 0.00 H new ATOM 0 HB VAL A 44 0.649 -9.610 -5.546 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.786 -7.548 -4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.207 -8.797 -3.406 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.451 -8.489 -2.838 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.658 -8.182 -5.679 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.429 -9.159 -4.407 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.036 -9.895 -5.979 1.00 0.00 H new ATOM 656 N GLU A 45 0.815 -11.554 -1.790 1.00 0.00 N ATOM 657 CA GLU A 45 -0.059 -11.765 -0.648 1.00 0.00 C ATOM 658 C GLU A 45 -0.050 -10.535 0.262 1.00 0.00 C ATOM 659 O GLU A 45 0.557 -9.518 -0.069 1.00 0.00 O ATOM 660 CB GLU A 45 0.344 -13.022 0.126 1.00 0.00 C ATOM 661 CG GLU A 45 1.781 -12.914 0.638 1.00 0.00 C ATOM 662 CD GLU A 45 2.715 -13.834 -0.151 1.00 0.00 C ATOM 663 OE1 GLU A 45 2.675 -13.749 -1.398 1.00 0.00 O ATOM 664 OE2 GLU A 45 3.448 -14.601 0.510 1.00 0.00 O ATOM 0 H GLU A 45 1.800 -11.753 -1.616 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.074 -11.914 -1.015 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.335 -13.169 0.966 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.249 -13.896 -0.518 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.124 -11.883 0.554 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.815 -13.176 1.696 1.00 0.00 H new ATOM 671 N ASP A 46 -0.730 -10.669 1.391 1.00 0.00 N ATOM 672 CA ASP A 46 -0.807 -9.581 2.352 1.00 0.00 C ATOM 673 C ASP A 46 0.482 -9.540 3.174 1.00 0.00 C ATOM 674 O ASP A 46 0.805 -8.518 3.778 1.00 0.00 O ATOM 675 CB ASP A 46 -1.978 -9.780 3.316 1.00 0.00 C ATOM 676 CG ASP A 46 -1.992 -11.125 4.046 1.00 0.00 C ATOM 677 OD1 ASP A 46 -2.402 -12.115 3.403 1.00 0.00 O ATOM 678 OD2 ASP A 46 -1.593 -11.132 5.231 1.00 0.00 O ATOM 0 H ASP A 46 -1.233 -11.514 1.662 1.00 0.00 H new ATOM 0 HA ASP A 46 -0.949 -8.652 1.800 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.959 -8.981 4.057 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.909 -9.676 2.759 1.00 0.00 H new ATOM 683 N SER A 47 1.184 -10.664 3.172 1.00 0.00 N ATOM 684 CA SER A 47 2.430 -10.769 3.911 1.00 0.00 C ATOM 685 C SER A 47 3.611 -10.828 2.940 1.00 0.00 C ATOM 686 O SER A 47 4.668 -11.362 3.273 1.00 0.00 O ATOM 687 CB SER A 47 2.429 -11.998 4.821 1.00 0.00 C ATOM 688 OG SER A 47 2.567 -11.646 6.195 1.00 0.00 O ATOM 0 H SER A 47 0.913 -11.510 2.670 1.00 0.00 H new ATOM 0 HA SER A 47 2.529 -9.885 4.541 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.501 -12.552 4.680 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.244 -12.662 4.534 1.00 0.00 H new ATOM 0 HG SER A 47 2.560 -12.458 6.743 1.00 0.00 H new ATOM 694 N THR A 48 3.391 -10.273 1.757 1.00 0.00 N ATOM 695 CA THR A 48 4.424 -10.257 0.735 1.00 0.00 C ATOM 696 C THR A 48 5.265 -8.983 0.846 1.00 0.00 C ATOM 697 O THR A 48 4.832 -7.911 0.427 1.00 0.00 O ATOM 698 CB THR A 48 3.744 -10.419 -0.626 1.00 0.00 C ATOM 699 OG1 THR A 48 4.101 -11.736 -1.038 1.00 0.00 O ATOM 700 CG2 THR A 48 4.357 -9.515 -1.698 1.00 0.00 C ATOM 0 H THR A 48 2.513 -9.831 1.484 1.00 0.00 H new ATOM 0 HA THR A 48 5.123 -11.083 0.866 1.00 0.00 H new ATOM 0 HB THR A 48 2.681 -10.198 -0.529 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.387 -12.109 -1.596 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.838 -9.669 -2.644 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.258 -8.473 -1.395 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.413 -9.759 -1.819 1.00 0.00 H new ATOM 708 N ASP A 49 6.451 -9.143 1.414 1.00 0.00 N ATOM 709 CA ASP A 49 7.356 -8.020 1.586 1.00 0.00 C ATOM 710 C ASP A 49 7.813 -7.523 0.212 1.00 0.00 C ATOM 711 O ASP A 49 8.412 -8.275 -0.556 1.00 0.00 O ATOM 712 CB ASP A 49 8.599 -8.430 2.377 1.00 0.00 C ATOM 713 CG ASP A 49 8.809 -7.673 3.690 1.00 0.00 C ATOM 714 OD1 ASP A 49 9.478 -6.618 3.637 1.00 0.00 O ATOM 715 OD2 ASP A 49 8.296 -8.166 4.718 1.00 0.00 O ATOM 0 H ASP A 49 6.806 -10.034 1.761 1.00 0.00 H new ATOM 0 HA ASP A 49 6.824 -7.239 2.129 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.537 -9.496 2.596 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.476 -8.285 1.747 1.00 0.00 H new ATOM 720 N PHE A 50 7.513 -6.261 -0.055 1.00 0.00 N ATOM 721 CA PHE A 50 7.885 -5.655 -1.322 1.00 0.00 C ATOM 722 C PHE A 50 9.398 -5.727 -1.541 1.00 0.00 C ATOM 723 O PHE A 50 9.874 -5.572 -2.664 1.00 0.00 O ATOM 724 CB PHE A 50 7.460 -4.187 -1.258 1.00 0.00 C ATOM 725 CG PHE A 50 7.894 -3.360 -2.471 1.00 0.00 C ATOM 726 CD1 PHE A 50 7.358 -3.616 -3.694 1.00 0.00 C ATOM 727 CD2 PHE A 50 8.815 -2.370 -2.324 1.00 0.00 C ATOM 728 CE1 PHE A 50 7.760 -2.848 -4.819 1.00 0.00 C ATOM 729 CE2 PHE A 50 9.217 -1.603 -3.449 1.00 0.00 C ATOM 730 CZ PHE A 50 8.681 -1.858 -4.673 1.00 0.00 C ATOM 0 H PHE A 50 7.016 -5.641 0.585 1.00 0.00 H new ATOM 0 HA PHE A 50 7.401 -6.183 -2.143 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.375 -4.137 -1.166 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.877 -3.738 -0.357 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.627 -4.403 -3.810 1.00 0.00 H new ATOM 0 HD2 PHE A 50 9.240 -2.168 -1.352 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.334 -3.050 -5.791 1.00 0.00 H new ATOM 0 HE2 PHE A 50 9.948 -0.817 -3.333 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.987 -1.274 -5.529 1.00 0.00 H new ATOM 740 N PHE A 51 10.111 -5.963 -0.449 1.00 0.00 N ATOM 741 CA PHE A 51 11.559 -6.057 -0.508 1.00 0.00 C ATOM 742 C PHE A 51 12.008 -7.510 -0.683 1.00 0.00 C ATOM 743 O PHE A 51 12.554 -7.874 -1.723 1.00 0.00 O ATOM 744 CB PHE A 51 12.096 -5.527 0.823 1.00 0.00 C ATOM 745 CG PHE A 51 11.713 -4.075 1.115 1.00 0.00 C ATOM 746 CD1 PHE A 51 11.497 -3.209 0.088 1.00 0.00 C ATOM 747 CD2 PHE A 51 11.587 -3.650 2.401 1.00 0.00 C ATOM 748 CE1 PHE A 51 11.141 -1.862 0.359 1.00 0.00 C ATOM 749 CE2 PHE A 51 11.231 -2.302 2.671 1.00 0.00 C ATOM 750 CZ PHE A 51 11.016 -1.437 1.645 1.00 0.00 C ATOM 0 H PHE A 51 9.712 -6.092 0.481 1.00 0.00 H new ATOM 0 HA PHE A 51 11.935 -5.484 -1.356 1.00 0.00 H new ATOM 0 HB2 PHE A 51 11.725 -6.159 1.630 1.00 0.00 H new ATOM 0 HB3 PHE A 51 13.183 -5.613 0.825 1.00 0.00 H new ATOM 0 HD1 PHE A 51 11.596 -3.546 -0.933 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.758 -4.337 3.216 1.00 0.00 H new ATOM 0 HE1 PHE A 51 10.969 -1.174 -0.456 1.00 0.00 H new ATOM 0 HE2 PHE A 51 11.131 -1.964 3.692 1.00 0.00 H new ATOM 0 HZ PHE A 51 10.746 -0.412 1.851 1.00 0.00 H new ATOM 760 N LYS A 52 11.760 -8.301 0.351 1.00 0.00 N ATOM 761 CA LYS A 52 12.131 -9.705 0.325 1.00 0.00 C ATOM 762 C LYS A 52 11.847 -10.277 -1.066 1.00 0.00 C ATOM 763 O LYS A 52 12.644 -11.049 -1.598 1.00 0.00 O ATOM 764 CB LYS A 52 11.435 -10.465 1.456 1.00 0.00 C ATOM 765 CG LYS A 52 12.297 -10.475 2.720 1.00 0.00 C ATOM 766 CD LYS A 52 12.590 -9.050 3.196 1.00 0.00 C ATOM 767 CE LYS A 52 13.711 -9.040 4.237 1.00 0.00 C ATOM 768 NZ LYS A 52 15.025 -8.856 3.582 1.00 0.00 N ATOM 0 H LYS A 52 11.306 -7.996 1.212 1.00 0.00 H new ATOM 0 HA LYS A 52 13.200 -9.820 0.506 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.472 -10.002 1.672 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.233 -11.489 1.141 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.786 -11.028 3.508 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.234 -10.996 2.521 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.873 -8.430 2.346 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.688 -8.613 3.624 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.541 -8.238 4.956 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.705 -9.976 4.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.775 -8.852 4.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.192 -9.635 2.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.033 -7.952 3.068 1.00 0.00 H new ATOM 782 N SER A 53 10.710 -9.877 -1.615 1.00 0.00 N ATOM 783 CA SER A 53 10.311 -10.340 -2.933 1.00 0.00 C ATOM 784 C SER A 53 11.499 -10.268 -3.894 1.00 0.00 C ATOM 785 O SER A 53 12.062 -11.296 -4.268 1.00 0.00 O ATOM 786 CB SER A 53 9.140 -9.518 -3.474 1.00 0.00 C ATOM 787 OG SER A 53 7.886 -9.991 -2.989 1.00 0.00 O ATOM 0 H SER A 53 10.052 -9.237 -1.171 1.00 0.00 H new ATOM 0 HA SER A 53 9.983 -11.376 -2.847 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.268 -8.474 -3.189 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.144 -9.554 -4.563 1.00 0.00 H new ATOM 0 HG SER A 53 7.705 -9.596 -2.111 1.00 0.00 H new ATOM 793 N GLY A 54 11.845 -9.045 -4.267 1.00 0.00 N ATOM 794 CA GLY A 54 12.956 -8.826 -5.177 1.00 0.00 C ATOM 795 C GLY A 54 12.934 -7.402 -5.736 1.00 0.00 C ATOM 796 O GLY A 54 13.189 -7.192 -6.921 1.00 0.00 O ATOM 0 H GLY A 54 11.375 -8.195 -3.955 1.00 0.00 H new ATOM 0 HA2 GLY A 54 13.897 -9.002 -4.656 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.906 -9.543 -5.996 1.00 0.00 H new ATOM 800 N ALA A 55 12.628 -6.460 -4.856 1.00 0.00 N ATOM 801 CA ALA A 55 12.570 -5.061 -5.246 1.00 0.00 C ATOM 802 C ALA A 55 13.912 -4.394 -4.939 1.00 0.00 C ATOM 803 O ALA A 55 14.501 -4.633 -3.886 1.00 0.00 O ATOM 804 CB ALA A 55 11.402 -4.379 -4.530 1.00 0.00 C ATOM 0 H ALA A 55 12.418 -6.638 -3.874 1.00 0.00 H new ATOM 0 HA ALA A 55 12.394 -4.969 -6.318 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.359 -3.330 -4.822 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.469 -4.871 -4.805 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.545 -4.449 -3.452 1.00 0.00 H new ATOM 810 N ALA A 56 14.356 -3.571 -5.877 1.00 0.00 N ATOM 811 CA ALA A 56 15.618 -2.868 -5.720 1.00 0.00 C ATOM 812 C ALA A 56 15.355 -1.485 -5.121 1.00 0.00 C ATOM 813 O ALA A 56 14.289 -1.241 -4.558 1.00 0.00 O ATOM 814 CB ALA A 56 16.332 -2.792 -7.071 1.00 0.00 C ATOM 0 H ALA A 56 13.864 -3.375 -6.749 1.00 0.00 H new ATOM 0 HA ALA A 56 16.274 -3.405 -5.035 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.279 -2.265 -6.953 1.00 0.00 H new ATOM 0 HB2 ALA A 56 16.522 -3.800 -7.439 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.705 -2.257 -7.784 1.00 0.00 H new ATOM 820 N SER A 57 16.344 -0.615 -5.264 1.00 0.00 N ATOM 821 CA SER A 57 16.233 0.737 -4.744 1.00 0.00 C ATOM 822 C SER A 57 15.459 1.614 -5.729 1.00 0.00 C ATOM 823 O SER A 57 15.013 2.705 -5.377 1.00 0.00 O ATOM 824 CB SER A 57 17.614 1.337 -4.470 1.00 0.00 C ATOM 825 OG SER A 57 18.292 0.656 -3.417 1.00 0.00 O ATOM 0 H SER A 57 17.226 -0.820 -5.733 1.00 0.00 H new ATOM 0 HA SER A 57 15.691 0.697 -3.799 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.216 1.292 -5.378 1.00 0.00 H new ATOM 0 HB3 SER A 57 17.507 2.390 -4.211 1.00 0.00 H new ATOM 0 HG SER A 57 19.170 1.067 -3.273 1.00 0.00 H new ATOM 831 N VAL A 58 15.323 1.105 -6.945 1.00 0.00 N ATOM 832 CA VAL A 58 14.611 1.829 -7.984 1.00 0.00 C ATOM 833 C VAL A 58 13.123 1.482 -7.913 1.00 0.00 C ATOM 834 O VAL A 58 12.270 2.341 -8.130 1.00 0.00 O ATOM 835 CB VAL A 58 15.231 1.529 -9.350 1.00 0.00 C ATOM 836 CG1 VAL A 58 16.759 1.539 -9.273 1.00 0.00 C ATOM 837 CG2 VAL A 58 14.718 0.197 -9.904 1.00 0.00 C ATOM 0 H VAL A 58 15.694 0.200 -7.234 1.00 0.00 H new ATOM 0 HA VAL A 58 14.701 2.904 -7.831 1.00 0.00 H new ATOM 0 HB VAL A 58 14.926 2.318 -10.037 1.00 0.00 H new ATOM 0 HG11 VAL A 58 17.174 1.323 -10.257 1.00 0.00 H new ATOM 0 HG12 VAL A 58 17.100 2.520 -8.943 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.093 0.781 -8.564 1.00 0.00 H new ATOM 0 HG21 VAL A 58 15.174 0.007 -10.876 1.00 0.00 H new ATOM 0 HG22 VAL A 58 14.980 -0.608 -9.217 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.635 0.242 -10.014 1.00 0.00 H new ATOM 847 N ASP A 59 12.856 0.220 -7.609 1.00 0.00 N ATOM 848 CA ASP A 59 11.486 -0.252 -7.507 1.00 0.00 C ATOM 849 C ASP A 59 10.732 0.602 -6.486 1.00 0.00 C ATOM 850 O ASP A 59 9.556 0.911 -6.676 1.00 0.00 O ATOM 851 CB ASP A 59 11.438 -1.706 -7.034 1.00 0.00 C ATOM 852 CG ASP A 59 11.949 -2.733 -8.047 1.00 0.00 C ATOM 853 OD1 ASP A 59 12.795 -2.337 -8.878 1.00 0.00 O ATOM 854 OD2 ASP A 59 11.483 -3.890 -7.967 1.00 0.00 O ATOM 0 H ASP A 59 13.566 -0.490 -7.430 1.00 0.00 H new ATOM 0 HA ASP A 59 11.030 -0.179 -8.494 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.027 -1.795 -6.121 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.409 -1.954 -6.775 1.00 0.00 H new ATOM 859 N VAL A 60 11.439 0.961 -5.424 1.00 0.00 N ATOM 860 CA VAL A 60 10.851 1.773 -4.373 1.00 0.00 C ATOM 861 C VAL A 60 10.193 3.006 -4.995 1.00 0.00 C ATOM 862 O VAL A 60 9.024 3.289 -4.735 1.00 0.00 O ATOM 863 CB VAL A 60 11.912 2.125 -3.328 1.00 0.00 C ATOM 864 CG1 VAL A 60 11.351 3.088 -2.280 1.00 0.00 C ATOM 865 CG2 VAL A 60 12.472 0.863 -2.669 1.00 0.00 C ATOM 0 H VAL A 60 12.414 0.704 -5.269 1.00 0.00 H new ATOM 0 HA VAL A 60 10.072 1.217 -3.851 1.00 0.00 H new ATOM 0 HB VAL A 60 12.732 2.628 -3.840 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.125 3.322 -1.549 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.023 4.006 -2.768 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.504 2.623 -1.775 1.00 0.00 H new ATOM 0 HG21 VAL A 60 13.224 1.141 -1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.664 0.320 -2.178 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.927 0.227 -3.428 1.00 0.00 H new ATOM 875 N VAL A 61 10.972 3.708 -5.805 1.00 0.00 N ATOM 876 CA VAL A 61 10.479 4.905 -6.466 1.00 0.00 C ATOM 877 C VAL A 61 9.428 4.511 -7.506 1.00 0.00 C ATOM 878 O VAL A 61 8.447 5.227 -7.703 1.00 0.00 O ATOM 879 CB VAL A 61 11.648 5.690 -7.065 1.00 0.00 C ATOM 880 CG1 VAL A 61 11.177 7.036 -7.620 1.00 0.00 C ATOM 881 CG2 VAL A 61 12.765 5.881 -6.037 1.00 0.00 C ATOM 0 H VAL A 61 11.941 3.471 -6.019 1.00 0.00 H new ATOM 0 HA VAL A 61 9.994 5.567 -5.748 1.00 0.00 H new ATOM 0 HB VAL A 61 12.052 5.109 -7.894 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.027 7.574 -8.040 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.433 6.868 -8.399 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.735 7.626 -6.817 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.583 6.442 -6.489 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.379 6.430 -5.178 1.00 0.00 H new ATOM 0 HG23 VAL A 61 13.129 4.907 -5.711 1.00 0.00 H new ATOM 891 N ARG A 62 9.668 3.374 -8.142 1.00 0.00 N ATOM 892 CA ARG A 62 8.753 2.877 -9.156 1.00 0.00 C ATOM 893 C ARG A 62 7.372 2.627 -8.548 1.00 0.00 C ATOM 894 O ARG A 62 6.384 3.223 -8.975 1.00 0.00 O ATOM 895 CB ARG A 62 9.273 1.579 -9.778 1.00 0.00 C ATOM 896 CG ARG A 62 9.082 1.584 -11.296 1.00 0.00 C ATOM 897 CD ARG A 62 9.810 0.404 -11.943 1.00 0.00 C ATOM 898 NE ARG A 62 8.956 -0.209 -12.985 1.00 0.00 N ATOM 899 CZ ARG A 62 9.380 -1.134 -13.856 1.00 0.00 C ATOM 900 NH1 ARG A 62 10.650 -1.560 -13.816 1.00 0.00 N ATOM 901 NH2 ARG A 62 8.534 -1.634 -14.767 1.00 0.00 N ATOM 0 H ARG A 62 10.482 2.783 -7.975 1.00 0.00 H new ATOM 0 HA ARG A 62 8.678 3.635 -9.936 1.00 0.00 H new ATOM 0 HB2 ARG A 62 10.330 1.456 -9.541 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.748 0.728 -9.345 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.019 1.534 -11.533 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.458 2.519 -11.711 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.748 0.742 -12.383 1.00 0.00 H new ATOM 0 HD3 ARG A 62 10.062 -0.338 -11.185 1.00 0.00 H new ATOM 0 HE ARG A 62 7.983 0.092 -13.043 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.294 -1.180 -13.122 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.973 -2.264 -14.479 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.567 -1.310 -14.797 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.857 -2.338 -15.430 1.00 0.00 H new ATOM 915 N LEU A 63 7.346 1.743 -7.561 1.00 0.00 N ATOM 916 CA LEU A 63 6.102 1.406 -6.891 1.00 0.00 C ATOM 917 C LEU A 63 5.401 2.693 -6.449 1.00 0.00 C ATOM 918 O LEU A 63 4.202 2.857 -6.668 1.00 0.00 O ATOM 919 CB LEU A 63 6.359 0.423 -5.747 1.00 0.00 C ATOM 920 CG LEU A 63 5.399 0.510 -4.559 1.00 0.00 C ATOM 921 CD1 LEU A 63 3.987 0.083 -4.962 1.00 0.00 C ATOM 922 CD2 LEU A 63 5.925 -0.297 -3.370 1.00 0.00 C ATOM 0 H LEU A 63 8.167 1.250 -7.209 1.00 0.00 H new ATOM 0 HA LEU A 63 5.427 0.893 -7.576 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.318 -0.590 -6.148 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.374 0.580 -5.381 1.00 0.00 H new ATOM 0 HG LEU A 63 5.341 1.551 -4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.325 0.154 -4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.622 0.736 -5.754 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.006 -0.946 -5.320 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.224 -0.219 -2.539 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.031 -1.343 -3.658 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.895 0.095 -3.065 1.00 0.00 H new ATOM 934 N VAL A 64 6.180 3.572 -5.835 1.00 0.00 N ATOM 935 CA VAL A 64 5.648 4.839 -5.361 1.00 0.00 C ATOM 936 C VAL A 64 5.152 5.658 -6.554 1.00 0.00 C ATOM 937 O VAL A 64 4.052 6.207 -6.521 1.00 0.00 O ATOM 938 CB VAL A 64 6.705 5.571 -4.531 1.00 0.00 C ATOM 939 CG1 VAL A 64 6.141 6.868 -3.947 1.00 0.00 C ATOM 940 CG2 VAL A 64 7.258 4.668 -3.428 1.00 0.00 C ATOM 0 H VAL A 64 7.174 3.432 -5.655 1.00 0.00 H new ATOM 0 HA VAL A 64 4.794 4.673 -4.704 1.00 0.00 H new ATOM 0 HB VAL A 64 7.530 5.833 -5.194 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.912 7.369 -3.362 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.818 7.522 -4.757 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.290 6.638 -3.305 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.007 5.213 -2.853 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.447 4.361 -2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.715 3.785 -3.875 1.00 0.00 H new ATOM 950 N GLU A 65 5.988 5.714 -7.581 1.00 0.00 N ATOM 951 CA GLU A 65 5.647 6.456 -8.783 1.00 0.00 C ATOM 952 C GLU A 65 4.395 5.866 -9.435 1.00 0.00 C ATOM 953 O GLU A 65 3.501 6.603 -9.850 1.00 0.00 O ATOM 954 CB GLU A 65 6.820 6.475 -9.766 1.00 0.00 C ATOM 955 CG GLU A 65 7.870 7.506 -9.347 1.00 0.00 C ATOM 956 CD GLU A 65 7.790 8.758 -10.224 1.00 0.00 C ATOM 957 OE1 GLU A 65 6.905 9.594 -9.941 1.00 0.00 O ATOM 958 OE2 GLU A 65 8.616 8.849 -11.158 1.00 0.00 O ATOM 0 H GLU A 65 6.900 5.258 -7.605 1.00 0.00 H new ATOM 0 HA GLU A 65 5.434 7.487 -8.502 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.275 5.486 -9.814 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.456 6.707 -10.767 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.720 7.779 -8.302 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.865 7.068 -9.422 1.00 0.00 H new ATOM 965 N GLU A 66 4.370 4.544 -9.505 1.00 0.00 N ATOM 966 CA GLU A 66 3.242 3.846 -10.099 1.00 0.00 C ATOM 967 C GLU A 66 1.964 4.134 -9.308 1.00 0.00 C ATOM 968 O GLU A 66 0.971 4.592 -9.872 1.00 0.00 O ATOM 969 CB GLU A 66 3.509 2.342 -10.181 1.00 0.00 C ATOM 970 CG GLU A 66 4.570 2.030 -11.239 1.00 0.00 C ATOM 971 CD GLU A 66 4.116 0.888 -12.150 1.00 0.00 C ATOM 972 OE1 GLU A 66 3.269 1.163 -13.027 1.00 0.00 O ATOM 973 OE2 GLU A 66 4.627 -0.235 -11.949 1.00 0.00 O ATOM 0 H GLU A 66 5.113 3.937 -9.160 1.00 0.00 H new ATOM 0 HA GLU A 66 3.107 4.213 -11.116 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.840 1.974 -9.210 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.584 1.818 -10.422 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.766 2.920 -11.836 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.507 1.761 -10.751 1.00 0.00 H new ATOM 980 N VAL A 67 2.031 3.854 -8.015 1.00 0.00 N ATOM 981 CA VAL A 67 0.891 4.077 -7.142 1.00 0.00 C ATOM 982 C VAL A 67 0.477 5.548 -7.217 1.00 0.00 C ATOM 983 O VAL A 67 -0.662 5.893 -6.903 1.00 0.00 O ATOM 984 CB VAL A 67 1.225 3.622 -5.720 1.00 0.00 C ATOM 985 CG1 VAL A 67 0.159 4.094 -4.729 1.00 0.00 C ATOM 986 CG2 VAL A 67 1.398 2.103 -5.657 1.00 0.00 C ATOM 0 H VAL A 67 2.856 3.475 -7.551 1.00 0.00 H new ATOM 0 HA VAL A 67 0.038 3.482 -7.468 1.00 0.00 H new ATOM 0 HB VAL A 67 2.173 4.079 -5.436 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.420 3.757 -3.726 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.105 5.183 -4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.809 3.679 -5.010 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.635 1.806 -4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.474 1.618 -5.971 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.209 1.801 -6.320 1.00 0.00 H new ATOM 996 N LYS A 68 1.423 6.376 -7.635 1.00 0.00 N ATOM 997 CA LYS A 68 1.171 7.802 -7.755 1.00 0.00 C ATOM 998 C LYS A 68 0.161 8.043 -8.878 1.00 0.00 C ATOM 999 O LYS A 68 -0.773 8.828 -8.720 1.00 0.00 O ATOM 1000 CB LYS A 68 2.484 8.565 -7.934 1.00 0.00 C ATOM 1001 CG LYS A 68 2.786 9.432 -6.710 1.00 0.00 C ATOM 1002 CD LYS A 68 4.156 9.091 -6.120 1.00 0.00 C ATOM 1003 CE LYS A 68 4.933 10.361 -5.769 1.00 0.00 C ATOM 1004 NZ LYS A 68 5.273 11.117 -6.996 1.00 0.00 N ATOM 0 H LYS A 68 2.366 6.086 -7.895 1.00 0.00 H new ATOM 0 HA LYS A 68 0.727 8.190 -6.838 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.299 7.860 -8.095 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.426 9.193 -8.823 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.759 10.485 -6.990 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.014 9.283 -5.955 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.029 8.479 -5.227 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.726 8.497 -6.835 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.338 10.986 -5.103 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.845 10.100 -5.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.134 11.677 -6.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.436 10.452 -7.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.488 11.754 -7.240 1.00 0.00 H new ATOM 1018 N GLU A 69 0.382 7.354 -9.988 1.00 0.00 N ATOM 1019 CA GLU A 69 -0.497 7.484 -11.137 1.00 0.00 C ATOM 1020 C GLU A 69 -1.847 6.821 -10.851 1.00 0.00 C ATOM 1021 O GLU A 69 -2.807 7.016 -11.594 1.00 0.00 O ATOM 1022 CB GLU A 69 0.149 6.892 -12.392 1.00 0.00 C ATOM 1023 CG GLU A 69 1.596 7.366 -12.538 1.00 0.00 C ATOM 1024 CD GLU A 69 1.773 8.204 -13.806 1.00 0.00 C ATOM 1025 OE1 GLU A 69 1.579 7.629 -14.899 1.00 0.00 O ATOM 1026 OE2 GLU A 69 2.098 9.402 -13.654 1.00 0.00 O ATOM 0 H GLU A 69 1.157 6.704 -10.116 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.667 8.545 -11.321 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.122 5.804 -12.340 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.424 7.183 -13.272 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.879 7.955 -11.666 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.263 6.505 -12.571 1.00 0.00 H new ATOM 1033 N LEU A 70 -1.875 6.053 -9.772 1.00 0.00 N ATOM 1034 CA LEU A 70 -3.091 5.361 -9.379 1.00 0.00 C ATOM 1035 C LEU A 70 -4.046 6.354 -8.713 1.00 0.00 C ATOM 1036 O LEU A 70 -5.236 6.378 -9.022 1.00 0.00 O ATOM 1037 CB LEU A 70 -2.759 4.148 -8.507 1.00 0.00 C ATOM 1038 CG LEU A 70 -2.238 2.913 -9.245 1.00 0.00 C ATOM 1039 CD1 LEU A 70 -2.148 1.710 -8.305 1.00 0.00 C ATOM 1040 CD2 LEU A 70 -3.089 2.613 -10.480 1.00 0.00 C ATOM 0 H LEU A 70 -1.076 5.895 -9.158 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.604 4.964 -10.255 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.013 4.448 -7.771 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.656 3.866 -7.956 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.227 3.125 -9.594 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.775 0.846 -8.855 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.468 1.939 -7.485 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.137 1.486 -7.905 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.697 1.731 -10.986 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.119 2.429 -10.176 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.058 3.465 -11.159 1.00 0.00 H new ATOM 1052 N CYS A 71 -3.487 7.149 -7.813 1.00 0.00 N ATOM 1053 CA CYS A 71 -4.274 8.142 -7.101 1.00 0.00 C ATOM 1054 C CYS A 71 -3.902 9.525 -7.638 1.00 0.00 C ATOM 1055 O CYS A 71 -4.230 10.541 -7.027 1.00 0.00 O ATOM 1056 CB CYS A 71 -4.074 8.044 -5.587 1.00 0.00 C ATOM 1057 SG CYS A 71 -5.678 8.239 -4.729 1.00 0.00 S ATOM 0 H CYS A 71 -2.499 7.126 -7.560 1.00 0.00 H new ATOM 0 HA CYS A 71 -5.335 7.960 -7.273 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -3.631 7.081 -5.332 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -3.378 8.814 -5.253 1.00 0.00 H new ATOM 0 HG CYS A 71 -6.331 7.116 -4.769 1.00 0.00 H new ATOM 1063 N ASP A 72 -3.221 9.520 -8.774 1.00 0.00 N ATOM 1064 CA ASP A 72 -2.800 10.762 -9.400 1.00 0.00 C ATOM 1065 C ASP A 72 -1.852 11.507 -8.459 1.00 0.00 C ATOM 1066 O ASP A 72 -2.296 12.240 -7.577 1.00 0.00 O ATOM 1067 CB ASP A 72 -3.998 11.671 -9.680 1.00 0.00 C ATOM 1068 CG ASP A 72 -3.656 13.004 -10.350 1.00 0.00 C ATOM 1069 OD1 ASP A 72 -2.567 13.069 -10.959 1.00 0.00 O ATOM 1070 OD2 ASP A 72 -4.492 13.926 -10.238 1.00 0.00 O ATOM 0 H ASP A 72 -2.950 8.675 -9.278 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.307 10.515 -10.340 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.703 11.133 -10.314 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.508 11.875 -8.739 1.00 0.00 H new ATOM 1075 N GLY A 73 -0.563 11.293 -8.678 1.00 0.00 N ATOM 1076 CA GLY A 73 0.453 11.934 -7.860 1.00 0.00 C ATOM 1077 C GLY A 73 0.168 11.727 -6.371 1.00 0.00 C ATOM 1078 O GLY A 73 0.258 12.666 -5.581 1.00 0.00 O ATOM 0 H GLY A 73 -0.198 10.684 -9.411 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.434 11.527 -8.106 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.485 13.000 -8.083 1.00 0.00 H new ATOM 1082 N LEU A 74 -0.169 10.491 -6.032 1.00 0.00 N ATOM 1083 CA LEU A 74 -0.467 10.149 -4.651 1.00 0.00 C ATOM 1084 C LEU A 74 0.618 10.729 -3.741 1.00 0.00 C ATOM 1085 O LEU A 74 1.742 10.963 -4.181 1.00 0.00 O ATOM 1086 CB LEU A 74 -0.651 8.637 -4.502 1.00 0.00 C ATOM 1087 CG LEU A 74 -0.789 8.117 -3.070 1.00 0.00 C ATOM 1088 CD1 LEU A 74 -2.186 8.403 -2.514 1.00 0.00 C ATOM 1089 CD2 LEU A 74 -0.435 6.631 -2.991 1.00 0.00 C ATOM 0 H LEU A 74 -0.242 9.714 -6.689 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.413 10.594 -4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.538 8.342 -5.062 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.200 8.140 -4.968 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.077 8.653 -2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.257 8.023 -1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.364 9.478 -2.513 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.933 7.912 -3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.541 6.286 -1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.105 6.062 -3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.594 6.484 -3.319 1.00 0.00 H new ATOM 1101 N GLU A 75 0.242 10.944 -2.489 1.00 0.00 N ATOM 1102 CA GLU A 75 1.168 11.492 -1.513 1.00 0.00 C ATOM 1103 C GLU A 75 1.986 10.370 -0.869 1.00 0.00 C ATOM 1104 O GLU A 75 1.922 10.168 0.343 1.00 0.00 O ATOM 1105 CB GLU A 75 0.428 12.309 -0.453 1.00 0.00 C ATOM 1106 CG GLU A 75 0.145 13.727 -0.952 1.00 0.00 C ATOM 1107 CD GLU A 75 -0.737 14.491 0.037 1.00 0.00 C ATOM 1108 OE1 GLU A 75 -1.765 13.910 0.448 1.00 0.00 O ATOM 1109 OE2 GLU A 75 -0.364 15.639 0.361 1.00 0.00 O ATOM 0 H GLU A 75 -0.692 10.748 -2.128 1.00 0.00 H new ATOM 0 HA GLU A 75 1.853 12.165 -2.029 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.510 11.816 -0.198 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.024 12.353 0.459 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.085 14.261 -1.094 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.346 13.683 -1.924 1.00 0.00 H new ATOM 1116 N LEU A 76 2.734 9.670 -1.708 1.00 0.00 N ATOM 1117 CA LEU A 76 3.563 8.574 -1.236 1.00 0.00 C ATOM 1118 C LEU A 76 5.033 8.998 -1.276 1.00 0.00 C ATOM 1119 O LEU A 76 5.403 9.897 -2.030 1.00 0.00 O ATOM 1120 CB LEU A 76 3.269 7.299 -2.029 1.00 0.00 C ATOM 1121 CG LEU A 76 3.577 5.980 -1.318 1.00 0.00 C ATOM 1122 CD1 LEU A 76 2.487 5.640 -0.299 1.00 0.00 C ATOM 1123 CD2 LEU A 76 3.791 4.850 -2.326 1.00 0.00 C ATOM 0 H LEU A 76 2.784 9.840 -2.712 1.00 0.00 H new ATOM 0 HA LEU A 76 3.327 8.338 -0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.215 7.302 -2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.842 7.331 -2.956 1.00 0.00 H new ATOM 0 HG LEU A 76 4.509 6.099 -0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.730 4.698 0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.426 6.433 0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.528 5.547 -0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.008 3.924 -1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.890 4.721 -2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.628 5.098 -2.979 1.00 0.00 H new ATOM 1135 N GLU A 77 5.831 8.331 -0.455 1.00 0.00 N ATOM 1136 CA GLU A 77 7.251 8.627 -0.387 1.00 0.00 C ATOM 1137 C GLU A 77 8.048 7.348 -0.124 1.00 0.00 C ATOM 1138 O GLU A 77 7.532 6.400 0.466 1.00 0.00 O ATOM 1139 CB GLU A 77 7.541 9.683 0.682 1.00 0.00 C ATOM 1140 CG GLU A 77 6.421 9.730 1.723 1.00 0.00 C ATOM 1141 CD GLU A 77 6.709 10.788 2.790 1.00 0.00 C ATOM 1142 OE1 GLU A 77 7.459 10.454 3.732 1.00 0.00 O ATOM 1143 OE2 GLU A 77 6.173 11.907 2.639 1.00 0.00 O ATOM 0 H GLU A 77 5.520 7.586 0.169 1.00 0.00 H new ATOM 0 HA GLU A 77 7.563 9.035 -1.348 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.489 9.459 1.172 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.648 10.661 0.213 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.473 9.951 1.233 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.316 8.753 2.194 1.00 0.00 H new ATOM 1150 N ASN A 78 9.294 7.361 -0.575 1.00 0.00 N ATOM 1151 CA ASN A 78 10.168 6.214 -0.396 1.00 0.00 C ATOM 1152 C ASN A 78 10.039 5.700 1.039 1.00 0.00 C ATOM 1153 O ASN A 78 10.127 4.497 1.282 1.00 0.00 O ATOM 1154 CB ASN A 78 11.631 6.593 -0.633 1.00 0.00 C ATOM 1155 CG ASN A 78 11.771 7.494 -1.861 1.00 0.00 C ATOM 1156 OD1 ASN A 78 10.918 7.210 -2.841 1.00 0.00 O flip ATOM 1157 ND2 ASN A 78 12.600 8.389 -1.916 1.00 0.00 N flip ATOM 0 H ASN A 78 9.719 8.148 -1.064 1.00 0.00 H new ATOM 0 HA ASN A 78 9.873 5.450 -1.115 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.025 7.105 0.245 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.227 5.691 -0.770 1.00 0.00 H new ATOM 0 HD21 ASN A 78 13.225 8.554 -1.127 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.667 8.971 -2.751 1.00 0.00 H new ATOM 1164 N GLU A 79 9.834 6.637 1.953 1.00 0.00 N ATOM 1165 CA GLU A 79 9.692 6.294 3.358 1.00 0.00 C ATOM 1166 C GLU A 79 8.540 5.305 3.550 1.00 0.00 C ATOM 1167 O GLU A 79 8.692 4.294 4.234 1.00 0.00 O ATOM 1168 CB GLU A 79 9.487 7.547 4.211 1.00 0.00 C ATOM 1169 CG GLU A 79 10.728 7.846 5.054 1.00 0.00 C ATOM 1170 CD GLU A 79 10.385 8.770 6.225 1.00 0.00 C ATOM 1171 OE1 GLU A 79 9.696 9.780 5.968 1.00 0.00 O ATOM 1172 OE2 GLU A 79 10.821 8.445 7.351 1.00 0.00 O ATOM 0 H GLU A 79 9.763 7.634 1.748 1.00 0.00 H new ATOM 0 HA GLU A 79 10.614 5.816 3.689 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.267 8.398 3.566 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.624 7.410 4.863 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.148 6.914 5.432 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.492 8.311 4.431 1.00 0.00 H new ATOM 1179 N ASP A 80 7.414 5.632 2.934 1.00 0.00 N ATOM 1180 CA ASP A 80 6.236 4.786 3.028 1.00 0.00 C ATOM 1181 C ASP A 80 6.631 3.336 2.735 1.00 0.00 C ATOM 1182 O ASP A 80 6.263 2.427 3.478 1.00 0.00 O ATOM 1183 CB ASP A 80 5.175 5.202 2.007 1.00 0.00 C ATOM 1184 CG ASP A 80 5.130 4.350 0.737 1.00 0.00 C ATOM 1185 OD1 ASP A 80 6.002 4.576 -0.129 1.00 0.00 O ATOM 1186 OD2 ASP A 80 4.224 3.492 0.661 1.00 0.00 O ATOM 0 H ASP A 80 7.292 6.471 2.368 1.00 0.00 H new ATOM 0 HA ASP A 80 5.828 4.887 4.033 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.197 5.164 2.486 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.352 6.240 1.724 1.00 0.00 H new ATOM 1191 N VAL A 81 7.373 3.166 1.651 1.00 0.00 N ATOM 1192 CA VAL A 81 7.821 1.843 1.251 1.00 0.00 C ATOM 1193 C VAL A 81 8.716 1.260 2.347 1.00 0.00 C ATOM 1194 O VAL A 81 8.508 0.129 2.786 1.00 0.00 O ATOM 1195 CB VAL A 81 8.514 1.915 -0.111 1.00 0.00 C ATOM 1196 CG1 VAL A 81 8.965 0.527 -0.570 1.00 0.00 C ATOM 1197 CG2 VAL A 81 7.606 2.570 -1.154 1.00 0.00 C ATOM 0 H VAL A 81 7.675 3.922 1.037 1.00 0.00 H new ATOM 0 HA VAL A 81 6.971 1.171 1.133 1.00 0.00 H new ATOM 0 HB VAL A 81 9.403 2.537 -0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.455 0.606 -1.541 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.664 0.113 0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.098 -0.128 -0.653 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.123 2.609 -2.113 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.691 1.986 -1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.357 3.582 -0.835 1.00 0.00 H new ATOM 1207 N TYR A 82 9.691 2.057 2.757 1.00 0.00 N ATOM 1208 CA TYR A 82 10.618 1.633 3.793 1.00 0.00 C ATOM 1209 C TYR A 82 9.886 1.377 5.112 1.00 0.00 C ATOM 1210 O TYR A 82 10.440 0.767 6.025 1.00 0.00 O ATOM 1211 CB TYR A 82 11.597 2.794 3.983 1.00 0.00 C ATOM 1212 CG TYR A 82 12.354 3.184 2.713 1.00 0.00 C ATOM 1213 CD1 TYR A 82 12.650 2.226 1.764 1.00 0.00 C ATOM 1214 CD2 TYR A 82 12.741 4.494 2.515 1.00 0.00 C ATOM 1215 CE1 TYR A 82 13.362 2.594 0.568 1.00 0.00 C ATOM 1216 CE2 TYR A 82 13.454 4.861 1.319 1.00 0.00 C ATOM 1217 CZ TYR A 82 13.729 3.893 0.404 1.00 0.00 C ATOM 1218 OH TYR A 82 14.402 4.240 -0.725 1.00 0.00 O ATOM 0 H TYR A 82 9.860 2.994 2.391 1.00 0.00 H new ATOM 0 HA TYR A 82 11.117 0.708 3.506 1.00 0.00 H new ATOM 0 HB2 TYR A 82 11.048 3.662 4.348 1.00 0.00 H new ATOM 0 HB3 TYR A 82 12.318 2.525 4.755 1.00 0.00 H new ATOM 0 HD1 TYR A 82 12.348 1.201 1.919 1.00 0.00 H new ATOM 0 HD2 TYR A 82 12.509 5.244 3.257 1.00 0.00 H new ATOM 0 HE1 TYR A 82 13.599 1.855 -0.182 1.00 0.00 H new ATOM 0 HE2 TYR A 82 13.764 5.882 1.152 1.00 0.00 H new ATOM 0 HH TYR A 82 14.598 5.200 -0.707 1.00 0.00 H new ATOM 1228 N MET A 83 8.652 1.857 5.170 1.00 0.00 N ATOM 1229 CA MET A 83 7.839 1.687 6.362 1.00 0.00 C ATOM 1230 C MET A 83 6.890 0.497 6.214 1.00 0.00 C ATOM 1231 O MET A 83 6.744 -0.304 7.136 1.00 0.00 O ATOM 1232 CB MET A 83 7.027 2.960 6.611 1.00 0.00 C ATOM 1233 CG MET A 83 7.302 3.521 8.008 1.00 0.00 C ATOM 1234 SD MET A 83 7.127 2.231 9.229 1.00 0.00 S ATOM 1235 CE MET A 83 7.268 3.198 10.723 1.00 0.00 C ATOM 0 H MET A 83 8.196 2.363 4.411 1.00 0.00 H new ATOM 0 HA MET A 83 8.501 1.496 7.207 1.00 0.00 H new ATOM 0 HB2 MET A 83 7.277 3.708 5.859 1.00 0.00 H new ATOM 0 HB3 MET A 83 5.964 2.744 6.505 1.00 0.00 H new ATOM 0 HG2 MET A 83 8.308 3.939 8.050 1.00 0.00 H new ATOM 0 HG3 MET A 83 6.610 4.335 8.225 1.00 0.00 H new ATOM 0 HE1 MET A 83 7.180 2.543 11.590 1.00 0.00 H new ATOM 0 HE2 MET A 83 8.236 3.698 10.743 1.00 0.00 H new ATOM 0 HE3 MET A 83 6.474 3.944 10.750 1.00 0.00 H new ATOM 1245 N ALA A 84 6.268 0.419 5.046 1.00 0.00 N ATOM 1246 CA ALA A 84 5.337 -0.661 4.765 1.00 0.00 C ATOM 1247 C ALA A 84 5.868 -1.497 3.599 1.00 0.00 C ATOM 1248 O ALA A 84 5.448 -1.315 2.458 1.00 0.00 O ATOM 1249 CB ALA A 84 3.951 -0.078 4.481 1.00 0.00 C ATOM 0 H ALA A 84 6.391 1.086 4.284 1.00 0.00 H new ATOM 0 HA ALA A 84 5.243 -1.321 5.627 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.252 -0.887 4.270 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.606 0.482 5.351 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.006 0.588 3.620 1.00 0.00 H new ATOM 1255 N SER A 85 6.786 -2.395 3.927 1.00 0.00 N ATOM 1256 CA SER A 85 7.379 -3.259 2.921 1.00 0.00 C ATOM 1257 C SER A 85 6.320 -4.207 2.355 1.00 0.00 C ATOM 1258 O SER A 85 6.131 -4.280 1.141 1.00 0.00 O ATOM 1259 CB SER A 85 8.549 -4.057 3.501 1.00 0.00 C ATOM 1260 OG SER A 85 8.149 -4.869 4.601 1.00 0.00 O ATOM 0 H SER A 85 7.133 -2.543 4.875 1.00 0.00 H new ATOM 0 HA SER A 85 7.764 -2.633 2.116 1.00 0.00 H new ATOM 0 HB2 SER A 85 8.979 -4.687 2.723 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.332 -3.370 3.823 1.00 0.00 H new ATOM 0 HG SER A 85 8.862 -5.507 4.813 1.00 0.00 H new ATOM 1266 N THR A 86 5.656 -4.911 3.260 1.00 0.00 N ATOM 1267 CA THR A 86 4.621 -5.851 2.866 1.00 0.00 C ATOM 1268 C THR A 86 3.410 -5.105 2.302 1.00 0.00 C ATOM 1269 O THR A 86 3.123 -3.981 2.711 1.00 0.00 O ATOM 1270 CB THR A 86 4.287 -6.722 4.079 1.00 0.00 C ATOM 1271 OG1 THR A 86 3.568 -5.850 4.946 1.00 0.00 O ATOM 1272 CG2 THR A 86 5.531 -7.106 4.884 1.00 0.00 C ATOM 0 H THR A 86 5.815 -4.849 4.266 1.00 0.00 H new ATOM 0 HA THR A 86 4.964 -6.504 2.063 1.00 0.00 H new ATOM 0 HB THR A 86 3.776 -7.626 3.747 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.311 -6.335 5.758 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.239 -7.724 5.733 1.00 0.00 H new ATOM 0 HG22 THR A 86 6.218 -7.665 4.248 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.024 -6.203 5.245 1.00 0.00 H new ATOM 1280 N PHE A 87 2.732 -5.762 1.372 1.00 0.00 N ATOM 1281 CA PHE A 87 1.558 -5.175 0.748 1.00 0.00 C ATOM 1282 C PHE A 87 0.492 -4.838 1.793 1.00 0.00 C ATOM 1283 O PHE A 87 0.073 -3.688 1.909 1.00 0.00 O ATOM 1284 CB PHE A 87 0.996 -6.219 -0.218 1.00 0.00 C ATOM 1285 CG PHE A 87 0.006 -5.654 -1.239 1.00 0.00 C ATOM 1286 CD1 PHE A 87 0.243 -4.448 -1.821 1.00 0.00 C ATOM 1287 CD2 PHE A 87 -1.112 -6.358 -1.563 1.00 0.00 C ATOM 1288 CE1 PHE A 87 -0.676 -3.923 -2.767 1.00 0.00 C ATOM 1289 CE2 PHE A 87 -2.031 -5.833 -2.510 1.00 0.00 C ATOM 1290 CZ PHE A 87 -1.794 -4.627 -3.092 1.00 0.00 C ATOM 0 H PHE A 87 2.973 -6.694 1.036 1.00 0.00 H new ATOM 0 HA PHE A 87 1.831 -4.252 0.236 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.823 -6.688 -0.751 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.502 -7.002 0.357 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.131 -3.889 -1.563 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.301 -7.316 -1.100 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.488 -2.965 -3.229 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -2.918 -6.392 -2.768 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.493 -4.228 -3.812 1.00 0.00 H new ATOM 1300 N GLY A 88 0.083 -5.864 2.526 1.00 0.00 N ATOM 1301 CA GLY A 88 -0.926 -5.691 3.557 1.00 0.00 C ATOM 1302 C GLY A 88 -0.708 -4.386 4.325 1.00 0.00 C ATOM 1303 O GLY A 88 -1.611 -3.556 4.416 1.00 0.00 O ATOM 0 H GLY A 88 0.432 -6.817 2.426 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.917 -5.689 3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.893 -6.533 4.248 1.00 0.00 H new ATOM 1307 N ASP A 89 0.497 -4.245 4.858 1.00 0.00 N ATOM 1308 CA ASP A 89 0.846 -3.055 5.616 1.00 0.00 C ATOM 1309 C ASP A 89 0.771 -1.832 4.699 1.00 0.00 C ATOM 1310 O ASP A 89 0.178 -0.817 5.061 1.00 0.00 O ATOM 1311 CB ASP A 89 2.271 -3.149 6.163 1.00 0.00 C ATOM 1312 CG ASP A 89 2.460 -2.588 7.574 1.00 0.00 C ATOM 1313 OD1 ASP A 89 1.471 -2.038 8.103 1.00 0.00 O ATOM 1314 OD2 ASP A 89 3.590 -2.723 8.092 1.00 0.00 O ATOM 0 H ASP A 89 1.244 -4.935 4.780 1.00 0.00 H new ATOM 0 HA ASP A 89 0.146 -2.967 6.447 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.577 -4.195 6.160 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.940 -2.619 5.485 1.00 0.00 H new ATOM 1319 N PHE A 90 1.380 -1.970 3.531 1.00 0.00 N ATOM 1320 CA PHE A 90 1.390 -0.889 2.560 1.00 0.00 C ATOM 1321 C PHE A 90 -0.033 -0.418 2.250 1.00 0.00 C ATOM 1322 O PHE A 90 -0.355 0.755 2.429 1.00 0.00 O ATOM 1323 CB PHE A 90 2.022 -1.442 1.281 1.00 0.00 C ATOM 1324 CG PHE A 90 2.210 -0.398 0.178 1.00 0.00 C ATOM 1325 CD1 PHE A 90 3.332 0.370 0.153 1.00 0.00 C ATOM 1326 CD2 PHE A 90 1.255 -0.238 -0.777 1.00 0.00 C ATOM 1327 CE1 PHE A 90 3.506 1.338 -0.870 1.00 0.00 C ATOM 1328 CE2 PHE A 90 1.429 0.730 -1.800 1.00 0.00 C ATOM 1329 CZ PHE A 90 2.551 1.498 -1.826 1.00 0.00 C ATOM 0 H PHE A 90 1.870 -2.814 3.235 1.00 0.00 H new ATOM 0 HA PHE A 90 1.948 -0.039 2.954 1.00 0.00 H new ATOM 0 HB2 PHE A 90 2.992 -1.876 1.525 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.398 -2.250 0.900 1.00 0.00 H new ATOM 0 HD1 PHE A 90 4.090 0.243 0.911 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.364 -0.848 -0.757 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.397 1.948 -0.890 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.670 0.857 -2.558 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.684 2.234 -2.605 1.00 0.00 H new ATOM 1339 N ILE A 91 -0.846 -1.358 1.789 1.00 0.00 N ATOM 1340 CA ILE A 91 -2.226 -1.054 1.452 1.00 0.00 C ATOM 1341 C ILE A 91 -2.814 -0.125 2.517 1.00 0.00 C ATOM 1342 O ILE A 91 -3.324 0.947 2.197 1.00 0.00 O ATOM 1343 CB ILE A 91 -3.025 -2.343 1.252 1.00 0.00 C ATOM 1344 CG1 ILE A 91 -2.570 -3.079 -0.010 1.00 0.00 C ATOM 1345 CG2 ILE A 91 -4.528 -2.060 1.240 1.00 0.00 C ATOM 1346 CD1 ILE A 91 -2.769 -2.210 -1.254 1.00 0.00 C ATOM 0 H ILE A 91 -0.575 -2.330 1.641 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.278 -0.523 0.501 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.829 -3.002 2.098 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.519 -3.352 0.083 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.132 -4.007 -0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -5.073 -2.993 1.096 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.821 -1.611 2.189 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.763 -1.374 0.426 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.438 -2.757 -2.137 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.825 -1.959 -1.358 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.187 -1.294 -1.155 1.00 0.00 H new ATOM 1358 N GLN A 92 -2.722 -0.571 3.761 1.00 0.00 N ATOM 1359 CA GLN A 92 -3.239 0.206 4.875 1.00 0.00 C ATOM 1360 C GLN A 92 -2.758 1.655 4.779 1.00 0.00 C ATOM 1361 O GLN A 92 -3.558 2.586 4.863 1.00 0.00 O ATOM 1362 CB GLN A 92 -2.836 -0.418 6.213 1.00 0.00 C ATOM 1363 CG GLN A 92 -3.871 -1.446 6.672 1.00 0.00 C ATOM 1364 CD GLN A 92 -4.492 -2.171 5.476 1.00 0.00 C ATOM 1365 OE1 GLN A 92 -5.711 -1.742 5.158 1.00 0.00 O flip ATOM 1366 NE2 GLN A 92 -3.905 -3.060 4.882 1.00 0.00 N flip ATOM 0 H GLN A 92 -2.297 -1.461 4.022 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.328 0.200 4.823 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -1.861 -0.896 6.116 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.735 0.363 6.967 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.399 -2.170 7.336 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.653 -0.949 7.246 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.970 -3.341 5.179 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -4.349 -3.523 4.089 1.00 0.00 H new ATOM 1375 N LEU A 93 -1.453 1.802 4.604 1.00 0.00 N ATOM 1376 CA LEU A 93 -0.856 3.122 4.495 1.00 0.00 C ATOM 1377 C LEU A 93 -1.406 3.825 3.252 1.00 0.00 C ATOM 1378 O LEU A 93 -1.855 4.968 3.329 1.00 0.00 O ATOM 1379 CB LEU A 93 0.671 3.024 4.520 1.00 0.00 C ATOM 1380 CG LEU A 93 1.420 3.964 3.573 1.00 0.00 C ATOM 1381 CD1 LEU A 93 2.680 4.522 4.238 1.00 0.00 C ATOM 1382 CD2 LEU A 93 1.731 3.270 2.246 1.00 0.00 C ATOM 0 H LEU A 93 -0.792 1.028 4.535 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.127 3.734 5.355 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.011 3.219 5.537 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.953 1.999 4.280 1.00 0.00 H new ATOM 0 HG LEU A 93 0.772 4.812 3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.194 5.187 3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.403 5.077 5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.342 3.700 4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.264 3.959 1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.351 2.393 2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.800 2.962 1.769 1.00 0.00 H new ATOM 1394 N LEU A 94 -1.353 3.113 2.137 1.00 0.00 N ATOM 1395 CA LEU A 94 -1.841 3.654 0.879 1.00 0.00 C ATOM 1396 C LEU A 94 -3.272 4.160 1.068 1.00 0.00 C ATOM 1397 O LEU A 94 -3.535 5.355 0.938 1.00 0.00 O ATOM 1398 CB LEU A 94 -1.695 2.622 -0.241 1.00 0.00 C ATOM 1399 CG LEU A 94 -2.638 2.791 -1.434 1.00 0.00 C ATOM 1400 CD1 LEU A 94 -2.037 3.734 -2.478 1.00 0.00 C ATOM 1401 CD2 LEU A 94 -3.011 1.434 -2.035 1.00 0.00 C ATOM 0 H LEU A 94 -0.980 2.166 2.078 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.239 4.509 0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.669 2.654 -0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.851 1.630 0.183 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.560 3.250 -1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.727 3.837 -3.315 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.864 4.712 -2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.091 3.326 -2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.682 1.583 -2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.108 0.925 -2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.509 0.826 -1.280 1.00 0.00 H new ATOM 1413 N VAL A 95 -4.161 3.225 1.371 1.00 0.00 N ATOM 1414 CA VAL A 95 -5.559 3.561 1.579 1.00 0.00 C ATOM 1415 C VAL A 95 -5.653 4.846 2.404 1.00 0.00 C ATOM 1416 O VAL A 95 -6.323 5.797 2.004 1.00 0.00 O ATOM 1417 CB VAL A 95 -6.291 2.382 2.223 1.00 0.00 C ATOM 1418 CG1 VAL A 95 -7.667 2.807 2.740 1.00 0.00 C ATOM 1419 CG2 VAL A 95 -6.409 1.210 1.247 1.00 0.00 C ATOM 0 H VAL A 95 -3.940 2.235 1.477 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.052 3.750 0.625 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.701 2.048 3.077 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.166 1.950 3.193 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.549 3.594 3.485 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.268 3.180 1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.933 0.386 1.730 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.965 1.526 0.364 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.413 0.882 0.950 1.00 0.00 H new ATOM 1429 N ARG A 96 -4.973 4.833 3.540 1.00 0.00 N ATOM 1430 CA ARG A 96 -4.971 5.986 4.425 1.00 0.00 C ATOM 1431 C ARG A 96 -4.684 7.263 3.632 1.00 0.00 C ATOM 1432 O ARG A 96 -5.328 8.289 3.846 1.00 0.00 O ATOM 1433 CB ARG A 96 -3.922 5.832 5.528 1.00 0.00 C ATOM 1434 CG ARG A 96 -4.579 5.465 6.861 1.00 0.00 C ATOM 1435 CD ARG A 96 -3.554 5.471 7.997 1.00 0.00 C ATOM 1436 NE ARG A 96 -4.240 5.322 9.299 1.00 0.00 N ATOM 1437 CZ ARG A 96 -3.607 5.154 10.468 1.00 0.00 C ATOM 1438 NH1 ARG A 96 -2.268 5.113 10.504 1.00 0.00 N ATOM 1439 NH2 ARG A 96 -4.312 5.028 11.600 1.00 0.00 N ATOM 0 H ARG A 96 -4.419 4.042 3.869 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.957 6.053 4.884 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.204 5.061 5.247 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -3.364 6.762 5.637 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.378 6.172 7.084 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.038 4.479 6.785 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.840 4.659 7.858 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -2.986 6.401 7.980 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.260 5.349 9.307 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.731 5.210 9.642 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.785 4.985 11.393 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.331 5.060 11.572 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.830 4.900 12.490 1.00 0.00 H new ATOM 1453 N LYS A 97 -3.716 7.158 2.734 1.00 0.00 N ATOM 1454 CA LYS A 97 -3.336 8.292 1.908 1.00 0.00 C ATOM 1455 C LYS A 97 -4.469 8.609 0.931 1.00 0.00 C ATOM 1456 O LYS A 97 -4.788 9.775 0.701 1.00 0.00 O ATOM 1457 CB LYS A 97 -1.991 8.031 1.227 1.00 0.00 C ATOM 1458 CG LYS A 97 -0.898 7.748 2.260 1.00 0.00 C ATOM 1459 CD LYS A 97 0.367 7.212 1.587 1.00 0.00 C ATOM 1460 CE LYS A 97 1.536 7.170 2.572 1.00 0.00 C ATOM 1461 NZ LYS A 97 2.081 8.529 2.789 1.00 0.00 N ATOM 0 H LYS A 97 -3.183 6.306 2.560 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.189 9.179 2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.082 7.184 0.547 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.711 8.895 0.624 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.664 8.661 2.807 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.261 7.024 2.989 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.180 6.212 1.197 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.626 7.843 0.737 1.00 0.00 H new ATOM 0 HE2 LYS A 97 1.204 6.749 3.521 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.319 6.515 2.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.080 8.462 3.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.006 9.078 1.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.541 9.004 3.540 1.00 0.00 H new ATOM 1475 N LEU A 98 -5.047 7.551 0.382 1.00 0.00 N ATOM 1476 CA LEU A 98 -6.138 7.701 -0.566 1.00 0.00 C ATOM 1477 C LEU A 98 -7.247 8.543 0.069 1.00 0.00 C ATOM 1478 O LEU A 98 -7.594 9.606 -0.443 1.00 0.00 O ATOM 1479 CB LEU A 98 -6.612 6.333 -1.060 1.00 0.00 C ATOM 1480 CG LEU A 98 -5.516 5.370 -1.521 1.00 0.00 C ATOM 1481 CD1 LEU A 98 -6.119 4.126 -2.176 1.00 0.00 C ATOM 1482 CD2 LEU A 98 -4.518 6.076 -2.442 1.00 0.00 C ATOM 0 H LEU A 98 -4.780 6.586 0.576 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.800 8.235 -1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.175 5.855 -0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.304 6.487 -1.888 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.963 5.036 -0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.319 3.458 -2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.758 3.611 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.711 4.422 -3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.749 5.369 -2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.040 6.457 -3.320 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.053 6.905 -1.908 1.00 0.00 H new ATOM 1494 N ARG A 99 -7.771 8.036 1.175 1.00 0.00 N ATOM 1495 CA ARG A 99 -8.833 8.728 1.886 1.00 0.00 C ATOM 1496 C ARG A 99 -8.426 10.176 2.169 1.00 0.00 C ATOM 1497 O ARG A 99 -9.214 11.098 1.961 1.00 0.00 O ATOM 1498 CB ARG A 99 -9.159 8.029 3.207 1.00 0.00 C ATOM 1499 CG ARG A 99 -9.942 6.737 2.966 1.00 0.00 C ATOM 1500 CD ARG A 99 -10.307 6.062 4.289 1.00 0.00 C ATOM 1501 NE ARG A 99 -10.871 4.718 4.033 1.00 0.00 N ATOM 1502 CZ ARG A 99 -11.566 4.010 4.934 1.00 0.00 C ATOM 1503 NH1 ARG A 99 -11.786 4.514 6.156 1.00 0.00 N ATOM 1504 NH2 ARG A 99 -12.040 2.799 4.613 1.00 0.00 N ATOM 0 H ARG A 99 -7.480 7.154 1.597 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.720 8.713 1.253 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.236 7.804 3.741 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.740 8.697 3.842 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.849 6.957 2.404 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.347 6.055 2.358 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -9.423 5.980 4.921 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.030 6.672 4.830 1.00 0.00 H new ATOM 0 HE ARG A 99 -10.721 4.304 3.113 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.425 5.436 6.400 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -12.315 3.976 6.842 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -11.872 2.416 3.683 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.569 2.260 5.299 1.00 0.00 H new