USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 590 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 67 ASN : amide:sc= 0.24 K(o=1.1,f=-7.2!) USER MOD Set 1.2: A 69 SER OG : rot 11:sc= 0.852 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00461 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.953 K(o=-0.95,f=-4.9!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00526 USER MOD Single : A 44 CYS SG : rot 35:sc= -2.12! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0212 USER MOD Single : A 47 THR OG1 : rot -92:sc= 0.66 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.0951 F(o=-1.6!,f=-0.095) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.642 K(o=-0.64,f=-1.9) USER MOD Single : A 74 GLN : amide:sc= -3.39 X(o=-3.4,f=-3.1!) USER MOD Single : A 75 TYR OH : rot 73:sc= 1.25 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot -123:sc= 1.11 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 228 N MET A 19 12.752 -7.745 5.340 1.00 0.00 N ATOM 229 CA MET A 19 12.646 -7.086 4.044 1.00 0.00 C ATOM 230 C MET A 19 12.580 -5.572 4.208 1.00 0.00 C ATOM 231 O MET A 19 13.268 -4.831 3.506 1.00 0.00 O ATOM 232 CB MET A 19 11.409 -7.587 3.293 1.00 0.00 C ATOM 233 CG MET A 19 11.700 -8.729 2.334 1.00 0.00 C ATOM 234 SD MET A 19 10.709 -8.642 0.830 1.00 0.00 S ATOM 235 CE MET A 19 11.471 -9.931 -0.152 1.00 0.00 C ATOM 0 HA MET A 19 13.536 -7.331 3.465 1.00 0.00 H new ATOM 0 HB2 MET A 19 10.662 -7.913 4.017 1.00 0.00 H new ATOM 0 HB3 MET A 19 10.972 -6.758 2.736 1.00 0.00 H new ATOM 0 HG2 MET A 19 12.757 -8.716 2.069 1.00 0.00 H new ATOM 0 HG3 MET A 19 11.509 -9.678 2.836 1.00 0.00 H new ATOM 0 HE1 MET A 19 10.967 -10.000 -1.116 1.00 0.00 H new ATOM 0 HE2 MET A 19 12.523 -9.695 -0.309 1.00 0.00 H new ATOM 0 HE3 MET A 19 11.387 -10.884 0.370 1.00 0.00 H new ATOM 245 N LEU A 20 11.749 -5.119 5.140 1.00 0.00 N ATOM 246 CA LEU A 20 11.593 -3.692 5.398 1.00 0.00 C ATOM 247 C LEU A 20 12.856 -3.113 6.028 1.00 0.00 C ATOM 248 O LEU A 20 13.266 -1.997 5.708 1.00 0.00 O ATOM 249 CB LEU A 20 10.394 -3.447 6.317 1.00 0.00 C ATOM 250 CG LEU A 20 9.026 -3.658 5.665 1.00 0.00 C ATOM 251 CD1 LEU A 20 8.059 -4.301 6.647 1.00 0.00 C ATOM 252 CD2 LEU A 20 8.470 -2.338 5.154 1.00 0.00 C ATOM 0 H LEU A 20 11.173 -5.719 5.730 1.00 0.00 H new ATOM 0 HA LEU A 20 11.420 -3.192 4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.475 -4.109 7.179 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.447 -2.425 6.694 1.00 0.00 H new ATOM 0 HG LEU A 20 9.150 -4.331 4.816 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.092 -4.443 6.165 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.452 -5.267 6.964 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.940 -3.654 7.516 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.497 -2.507 4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.362 -1.642 5.986 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.153 -1.917 4.416 1.00 0.00 H new ATOM 264 N THR A 21 13.470 -3.880 6.923 1.00 0.00 N ATOM 265 CA THR A 21 14.687 -3.444 7.596 1.00 0.00 C ATOM 266 C THR A 21 15.869 -3.437 6.633 1.00 0.00 C ATOM 267 O THR A 21 16.691 -2.520 6.649 1.00 0.00 O ATOM 268 CB THR A 21 14.990 -4.355 8.788 1.00 0.00 C ATOM 269 OG1 THR A 21 13.795 -4.735 9.445 1.00 0.00 O ATOM 270 CG2 THR A 21 15.897 -3.714 9.816 1.00 0.00 C ATOM 0 H THR A 21 13.144 -4.806 7.199 1.00 0.00 H new ATOM 0 HA THR A 21 14.529 -2.427 7.956 1.00 0.00 H new ATOM 0 HB THR A 21 15.501 -5.221 8.367 1.00 0.00 H new ATOM 0 HG1 THR A 21 14.010 -5.318 10.203 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.071 -4.413 10.634 1.00 0.00 H new ATOM 0 HG22 THR A 21 16.848 -3.455 9.351 1.00 0.00 H new ATOM 0 HG23 THR A 21 15.426 -2.811 10.205 1.00 0.00 H new ATOM 278 N SER A 22 15.950 -4.467 5.796 1.00 0.00 N ATOM 279 CA SER A 22 17.032 -4.579 4.825 1.00 0.00 C ATOM 280 C SER A 22 16.966 -3.449 3.803 1.00 0.00 C ATOM 281 O SER A 22 17.989 -2.874 3.430 1.00 0.00 O ATOM 282 CB SER A 22 16.966 -5.931 4.112 1.00 0.00 C ATOM 283 OG SER A 22 17.743 -6.903 4.790 1.00 0.00 O ATOM 0 H SER A 22 15.280 -5.235 5.771 1.00 0.00 H new ATOM 0 HA SER A 22 17.978 -4.504 5.362 1.00 0.00 H new ATOM 0 HB2 SER A 22 15.930 -6.265 4.054 1.00 0.00 H new ATOM 0 HB3 SER A 22 17.324 -5.824 3.088 1.00 0.00 H new ATOM 0 HG SER A 22 17.683 -7.759 4.316 1.00 0.00 H new ATOM 289 N LEU A 23 15.755 -3.134 3.353 1.00 0.00 N ATOM 290 CA LEU A 23 15.556 -2.072 2.374 1.00 0.00 C ATOM 291 C LEU A 23 15.687 -0.700 3.026 1.00 0.00 C ATOM 292 O LEU A 23 16.115 0.263 2.389 1.00 0.00 O ATOM 293 CB LEU A 23 14.181 -2.208 1.718 1.00 0.00 C ATOM 294 CG LEU A 23 13.986 -3.471 0.878 1.00 0.00 C ATOM 295 CD1 LEU A 23 12.514 -3.677 0.556 1.00 0.00 C ATOM 296 CD2 LEU A 23 14.807 -3.392 -0.401 1.00 0.00 C ATOM 0 H LEU A 23 14.898 -3.599 3.651 1.00 0.00 H new ATOM 0 HA LEU A 23 16.327 -2.166 1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 23 13.420 -2.188 2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 23 14.011 -1.338 1.084 1.00 0.00 H new ATOM 0 HG LEU A 23 14.333 -4.327 1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.395 -4.580 -0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.950 -3.779 1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.141 -2.820 -0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.656 -4.299 -0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 23 14.490 -2.527 -0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.863 -3.293 -0.150 1.00 0.00 H new ATOM 308 N GLY A 24 15.314 -0.616 4.299 1.00 0.00 N ATOM 309 CA GLY A 24 15.398 0.643 5.016 1.00 0.00 C ATOM 310 C GLY A 24 14.070 1.374 5.058 1.00 0.00 C ATOM 311 O GLY A 24 14.033 2.602 5.135 1.00 0.00 O ATOM 0 H GLY A 24 14.955 -1.398 4.847 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.739 0.456 6.034 1.00 0.00 H new ATOM 0 HA3 GLY A 24 16.145 1.279 4.541 1.00 0.00 H new ATOM 315 N LEU A 25 12.979 0.618 5.006 1.00 0.00 N ATOM 316 CA LEU A 25 11.643 1.202 5.039 1.00 0.00 C ATOM 317 C LEU A 25 10.991 0.994 6.402 1.00 0.00 C ATOM 318 O LEU A 25 11.488 0.227 7.227 1.00 0.00 O ATOM 319 CB LEU A 25 10.769 0.587 3.943 1.00 0.00 C ATOM 320 CG LEU A 25 11.279 0.795 2.517 1.00 0.00 C ATOM 321 CD1 LEU A 25 10.969 -0.421 1.657 1.00 0.00 C ATOM 322 CD2 LEU A 25 10.667 2.048 1.910 1.00 0.00 C ATOM 0 H LEU A 25 12.993 -0.400 4.941 1.00 0.00 H new ATOM 0 HA LEU A 25 11.737 2.273 4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.680 -0.483 4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.767 1.008 4.019 1.00 0.00 H new ATOM 0 HG LEU A 25 12.361 0.923 2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.339 -0.255 0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.454 -1.300 2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.891 -0.580 1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.041 2.181 0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.582 1.948 1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.939 2.914 2.513 1.00 0.00 H new ATOM 334 N LYS A 26 9.879 1.682 6.632 1.00 0.00 N ATOM 335 CA LYS A 26 9.160 1.572 7.896 1.00 0.00 C ATOM 336 C LYS A 26 7.806 2.270 7.815 1.00 0.00 C ATOM 337 O LYS A 26 7.595 3.144 6.974 1.00 0.00 O ATOM 338 CB LYS A 26 9.992 2.172 9.033 1.00 0.00 C ATOM 339 CG LYS A 26 10.089 1.273 10.255 1.00 0.00 C ATOM 340 CD LYS A 26 11.438 1.412 10.942 1.00 0.00 C ATOM 341 CE LYS A 26 11.956 0.068 11.428 1.00 0.00 C ATOM 342 NZ LYS A 26 12.620 0.175 12.757 1.00 0.00 N ATOM 0 H LYS A 26 9.455 2.322 5.960 1.00 0.00 H new ATOM 0 HA LYS A 26 8.990 0.515 8.099 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.997 2.382 8.666 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.555 3.126 9.328 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.294 1.524 10.957 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.936 0.235 9.958 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.156 1.852 10.250 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.349 2.096 11.786 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.128 -0.638 11.492 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.662 -0.333 10.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.959 -0.763 13.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 13.426 0.829 12.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.940 0.533 13.457 1.00 0.00 H new ATOM 356 N LEU A 27 6.891 1.877 8.695 1.00 0.00 N ATOM 357 CA LEU A 27 5.556 2.465 8.724 1.00 0.00 C ATOM 358 C LEU A 27 5.620 3.943 9.093 1.00 0.00 C ATOM 359 O LEU A 27 6.149 4.309 10.143 1.00 0.00 O ATOM 360 CB LEU A 27 4.668 1.716 9.720 1.00 0.00 C ATOM 361 CG LEU A 27 4.672 0.193 9.574 1.00 0.00 C ATOM 362 CD1 LEU A 27 4.576 -0.475 10.937 1.00 0.00 C ATOM 363 CD2 LEU A 27 3.529 -0.257 8.676 1.00 0.00 C ATOM 0 H LEU A 27 7.049 1.154 9.397 1.00 0.00 H new ATOM 0 HA LEU A 27 5.126 2.377 7.726 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.988 1.970 10.731 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.644 2.073 9.611 1.00 0.00 H new ATOM 0 HG LEU A 27 5.613 -0.107 9.112 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.580 -1.558 10.813 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.427 -0.177 11.549 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.652 -0.170 11.427 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.546 -1.343 8.582 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.580 0.055 9.111 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.642 0.194 7.690 1.00 0.00 H new ATOM 375 N GLY A 28 5.077 4.789 8.224 1.00 0.00 N ATOM 376 CA GLY A 28 5.083 6.218 8.476 1.00 0.00 C ATOM 377 C GLY A 28 6.059 6.961 7.585 1.00 0.00 C ATOM 378 O GLY A 28 5.852 8.133 7.269 1.00 0.00 O ATOM 0 H GLY A 28 4.633 4.510 7.349 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.080 6.615 8.321 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.339 6.398 9.520 1.00 0.00 H new ATOM 382 N ASP A 29 7.124 6.278 7.177 1.00 0.00 N ATOM 383 CA ASP A 29 8.135 6.882 6.316 1.00 0.00 C ATOM 384 C ASP A 29 7.597 7.082 4.903 1.00 0.00 C ATOM 385 O ASP A 29 6.596 6.479 4.518 1.00 0.00 O ATOM 386 CB ASP A 29 9.389 6.007 6.278 1.00 0.00 C ATOM 387 CG ASP A 29 10.280 6.220 7.487 1.00 0.00 C ATOM 388 OD1 ASP A 29 9.817 5.964 8.618 1.00 0.00 O ATOM 389 OD2 ASP A 29 11.440 6.644 7.302 1.00 0.00 O ATOM 0 H ASP A 29 7.309 5.307 7.428 1.00 0.00 H new ATOM 0 HA ASP A 29 8.393 7.858 6.728 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.096 4.958 6.227 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.953 6.225 5.371 1.00 0.00 H new ATOM 394 N ARG A 30 8.270 7.933 4.135 1.00 0.00 N ATOM 395 CA ARG A 30 7.860 8.213 2.764 1.00 0.00 C ATOM 396 C ARG A 30 8.393 7.149 1.809 1.00 0.00 C ATOM 397 O ARG A 30 9.593 6.876 1.776 1.00 0.00 O ATOM 398 CB ARG A 30 8.355 9.595 2.334 1.00 0.00 C ATOM 399 CG ARG A 30 7.520 10.740 2.884 1.00 0.00 C ATOM 400 CD ARG A 30 6.501 11.229 1.866 1.00 0.00 C ATOM 401 NE ARG A 30 6.475 12.687 1.776 1.00 0.00 N ATOM 402 CZ ARG A 30 6.094 13.486 2.771 1.00 0.00 C ATOM 403 NH1 ARG A 30 5.707 12.972 3.932 1.00 0.00 N ATOM 404 NH2 ARG A 30 6.102 14.800 2.604 1.00 0.00 N ATOM 0 H ARG A 30 9.101 8.440 4.439 1.00 0.00 H new ATOM 0 HA ARG A 30 6.771 8.197 2.726 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.387 9.720 2.661 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.357 9.648 1.245 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.005 10.414 3.788 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.174 11.564 3.169 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.735 10.809 0.888 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.511 10.865 2.140 1.00 0.00 H new ATOM 0 HE ARG A 30 6.766 13.119 0.899 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.701 11.961 4.065 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.416 13.588 4.691 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.400 15.199 1.714 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.810 15.413 3.366 1.00 0.00 H new ATOM 418 N VAL A 31 7.493 6.552 1.034 1.00 0.00 N ATOM 419 CA VAL A 31 7.873 5.519 0.078 1.00 0.00 C ATOM 420 C VAL A 31 7.524 5.933 -1.346 1.00 0.00 C ATOM 421 O VAL A 31 6.913 6.979 -1.568 1.00 0.00 O ATOM 422 CB VAL A 31 7.180 4.180 0.394 1.00 0.00 C ATOM 423 CG1 VAL A 31 7.696 3.606 1.704 1.00 0.00 C ATOM 424 CG2 VAL A 31 5.670 4.359 0.439 1.00 0.00 C ATOM 0 H VAL A 31 6.496 6.766 1.050 1.00 0.00 H new ATOM 0 HA VAL A 31 8.952 5.391 0.163 1.00 0.00 H new ATOM 0 HB VAL A 31 7.416 3.473 -0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.194 2.660 1.910 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.770 3.438 1.630 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.494 4.307 2.513 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.197 3.403 0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.412 5.082 1.213 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.317 4.720 -0.527 1.00 0.00 H new ATOM 434 N VAL A 32 7.918 5.108 -2.311 1.00 0.00 N ATOM 435 CA VAL A 32 7.648 5.389 -3.715 1.00 0.00 C ATOM 436 C VAL A 32 7.310 4.109 -4.476 1.00 0.00 C ATOM 437 O VAL A 32 7.965 3.081 -4.302 1.00 0.00 O ATOM 438 CB VAL A 32 8.849 6.080 -4.391 1.00 0.00 C ATOM 439 CG1 VAL A 32 10.072 5.174 -4.374 1.00 0.00 C ATOM 440 CG2 VAL A 32 8.501 6.492 -5.813 1.00 0.00 C ATOM 0 H VAL A 32 8.426 4.239 -2.145 1.00 0.00 H new ATOM 0 HA VAL A 32 6.791 6.062 -3.746 1.00 0.00 H new ATOM 0 HB VAL A 32 9.087 6.981 -3.825 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.908 5.682 -4.856 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.336 4.939 -3.343 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.849 4.252 -4.911 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.362 6.978 -6.272 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.231 5.609 -6.392 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.660 7.185 -5.795 1.00 0.00 H new ATOM 450 N ILE A 33 6.285 4.182 -5.319 1.00 0.00 N ATOM 451 CA ILE A 33 5.861 3.030 -6.106 1.00 0.00 C ATOM 452 C ILE A 33 6.635 2.948 -7.417 1.00 0.00 C ATOM 453 O ILE A 33 6.512 3.819 -8.278 1.00 0.00 O ATOM 454 CB ILE A 33 4.352 3.084 -6.415 1.00 0.00 C ATOM 455 CG1 ILE A 33 3.555 3.346 -5.135 1.00 0.00 C ATOM 456 CG2 ILE A 33 3.899 1.790 -7.072 1.00 0.00 C ATOM 457 CD1 ILE A 33 2.169 3.897 -5.389 1.00 0.00 C ATOM 0 H ILE A 33 5.733 5.026 -5.474 1.00 0.00 H new ATOM 0 HA ILE A 33 6.069 2.143 -5.507 1.00 0.00 H new ATOM 0 HB ILE A 33 4.168 3.904 -7.109 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.470 2.416 -4.573 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.107 4.048 -4.510 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.831 1.844 -7.284 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.447 1.643 -8.003 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.094 0.954 -6.401 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.662 4.058 -4.438 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.246 4.843 -5.924 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.599 3.187 -5.988 1.00 0.00 H new ATOM 469 N ALA A 34 7.431 1.893 -7.564 1.00 0.00 N ATOM 470 CA ALA A 34 8.224 1.696 -8.771 1.00 0.00 C ATOM 471 C ALA A 34 9.184 2.860 -8.995 1.00 0.00 C ATOM 472 O ALA A 34 9.537 3.176 -10.130 1.00 0.00 O ATOM 473 CB ALA A 34 7.313 1.523 -9.978 1.00 0.00 C ATOM 0 H ALA A 34 7.543 1.162 -6.862 1.00 0.00 H new ATOM 0 HA ALA A 34 8.816 0.790 -8.642 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.918 1.377 -10.873 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.671 0.655 -9.828 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.696 2.413 -10.099 1.00 0.00 H new ATOM 479 N GLY A 35 9.605 3.493 -7.904 1.00 0.00 N ATOM 480 CA GLY A 35 10.521 4.614 -8.003 1.00 0.00 C ATOM 481 C GLY A 35 9.976 5.737 -8.864 1.00 0.00 C ATOM 482 O GLY A 35 10.716 6.355 -9.631 1.00 0.00 O ATOM 0 H GLY A 35 9.328 3.249 -6.953 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.731 4.996 -7.004 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.468 4.269 -8.418 1.00 0.00 H new ATOM 486 N GLN A 36 8.679 6.000 -8.739 1.00 0.00 N ATOM 487 CA GLN A 36 8.036 7.056 -9.513 1.00 0.00 C ATOM 488 C GLN A 36 6.981 7.776 -8.679 1.00 0.00 C ATOM 489 O GLN A 36 7.164 8.929 -8.290 1.00 0.00 O ATOM 490 CB GLN A 36 7.398 6.473 -10.777 1.00 0.00 C ATOM 491 CG GLN A 36 8.251 6.644 -12.023 1.00 0.00 C ATOM 492 CD GLN A 36 8.336 8.089 -12.476 1.00 0.00 C ATOM 493 OE1 GLN A 36 8.540 8.995 -11.668 1.00 0.00 O ATOM 494 NE2 GLN A 36 8.178 8.311 -13.776 1.00 0.00 N ATOM 0 H GLN A 36 8.053 5.497 -8.110 1.00 0.00 H new ATOM 0 HA GLN A 36 8.799 7.779 -9.801 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.206 5.411 -10.621 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.432 6.951 -10.940 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.255 6.269 -11.826 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.837 6.038 -12.829 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.011 7.530 -14.410 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.224 9.263 -14.140 1.00 0.00 H new ATOM 503 N LYS A 37 5.877 7.087 -8.408 1.00 0.00 N ATOM 504 CA LYS A 37 4.793 7.661 -7.620 1.00 0.00 C ATOM 505 C LYS A 37 5.224 7.870 -6.172 1.00 0.00 C ATOM 506 O LYS A 37 5.809 6.981 -5.554 1.00 0.00 O ATOM 507 CB LYS A 37 3.561 6.756 -7.673 1.00 0.00 C ATOM 508 CG LYS A 37 3.142 6.381 -9.085 1.00 0.00 C ATOM 509 CD LYS A 37 2.302 5.112 -9.102 1.00 0.00 C ATOM 510 CE LYS A 37 0.914 5.367 -9.666 1.00 0.00 C ATOM 511 NZ LYS A 37 0.876 5.202 -11.146 1.00 0.00 N ATOM 0 H LYS A 37 5.710 6.131 -8.722 1.00 0.00 H new ATOM 0 HA LYS A 37 4.541 8.631 -8.048 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.765 5.845 -7.110 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.730 7.258 -7.178 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.574 7.200 -9.526 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.029 6.239 -9.703 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.804 4.351 -9.699 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.217 4.718 -8.089 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.204 4.680 -9.206 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.596 6.376 -9.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.088 5.385 -11.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.535 5.875 -11.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.154 4.231 -11.394 1.00 0.00 H new ATOM 525 N VAL A 38 4.929 9.050 -5.636 1.00 0.00 N ATOM 526 CA VAL A 38 5.286 9.375 -4.260 1.00 0.00 C ATOM 527 C VAL A 38 4.068 9.305 -3.346 1.00 0.00 C ATOM 528 O VAL A 38 3.028 9.898 -3.634 1.00 0.00 O ATOM 529 CB VAL A 38 5.910 10.780 -4.159 1.00 0.00 C ATOM 530 CG1 VAL A 38 6.457 11.022 -2.760 1.00 0.00 C ATOM 531 CG2 VAL A 38 7.001 10.957 -5.203 1.00 0.00 C ATOM 0 H VAL A 38 4.444 9.797 -6.134 1.00 0.00 H new ATOM 0 HA VAL A 38 6.020 8.636 -3.940 1.00 0.00 H new ATOM 0 HB VAL A 38 5.131 11.518 -4.353 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.894 12.019 -2.708 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.648 10.942 -2.034 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.222 10.279 -2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.430 11.955 -5.116 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.781 10.212 -5.044 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.576 10.830 -6.199 1.00 0.00 H new ATOM 541 N GLY A 39 4.205 8.578 -2.242 1.00 0.00 N ATOM 542 CA GLY A 39 3.107 8.443 -1.301 1.00 0.00 C ATOM 543 C GLY A 39 3.573 8.012 0.075 1.00 0.00 C ATOM 544 O GLY A 39 4.692 7.524 0.235 1.00 0.00 O ATOM 0 H GLY A 39 5.056 8.080 -1.982 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.581 9.395 -1.222 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.392 7.715 -1.684 1.00 0.00 H new ATOM 548 N THR A 40 2.712 8.191 1.071 1.00 0.00 N ATOM 549 CA THR A 40 3.041 7.816 2.442 1.00 0.00 C ATOM 550 C THR A 40 2.678 6.359 2.711 1.00 0.00 C ATOM 551 O THR A 40 1.529 5.953 2.535 1.00 0.00 O ATOM 552 CB THR A 40 2.310 8.726 3.431 1.00 0.00 C ATOM 553 OG1 THR A 40 1.968 9.958 2.820 1.00 0.00 O ATOM 554 CG2 THR A 40 3.122 9.038 4.670 1.00 0.00 C ATOM 0 H THR A 40 1.782 8.593 0.955 1.00 0.00 H new ATOM 0 HA THR A 40 4.116 7.934 2.576 1.00 0.00 H new ATOM 0 HB THR A 40 1.420 8.172 3.730 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.500 10.525 3.468 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.545 9.687 5.329 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.361 8.111 5.192 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.046 9.541 4.383 1.00 0.00 H new ATOM 562 N LEU A 41 3.665 5.578 3.137 1.00 0.00 N ATOM 563 CA LEU A 41 3.449 4.166 3.429 1.00 0.00 C ATOM 564 C LEU A 41 2.535 3.994 4.639 1.00 0.00 C ATOM 565 O LEU A 41 2.742 4.620 5.679 1.00 0.00 O ATOM 566 CB LEU A 41 4.785 3.466 3.682 1.00 0.00 C ATOM 567 CG LEU A 41 4.681 1.984 4.047 1.00 0.00 C ATOM 568 CD1 LEU A 41 4.358 1.151 2.816 1.00 0.00 C ATOM 569 CD2 LEU A 41 5.972 1.504 4.695 1.00 0.00 C ATOM 0 H LEU A 41 4.621 5.899 3.288 1.00 0.00 H new ATOM 0 HA LEU A 41 2.966 3.712 2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.403 3.562 2.789 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.304 3.987 4.486 1.00 0.00 H new ATOM 0 HG LEU A 41 3.870 1.862 4.764 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.288 0.100 3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.408 1.478 2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.147 1.277 2.074 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.881 0.448 4.948 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.801 1.640 4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.160 2.080 5.601 1.00 0.00 H new ATOM 581 N ARG A 42 1.526 3.143 4.496 1.00 0.00 N ATOM 582 CA ARG A 42 0.580 2.888 5.576 1.00 0.00 C ATOM 583 C ARG A 42 0.659 1.437 6.038 1.00 0.00 C ATOM 584 O ARG A 42 0.590 1.150 7.234 1.00 0.00 O ATOM 585 CB ARG A 42 -0.845 3.213 5.122 1.00 0.00 C ATOM 586 CG ARG A 42 -1.065 4.686 4.816 1.00 0.00 C ATOM 587 CD ARG A 42 -1.043 5.527 6.083 1.00 0.00 C ATOM 588 NE ARG A 42 -2.110 6.526 6.095 1.00 0.00 N ATOM 589 CZ ARG A 42 -2.531 7.149 7.193 1.00 0.00 C ATOM 590 NH1 ARG A 42 -1.980 6.878 8.370 1.00 0.00 N ATOM 591 NH2 ARG A 42 -3.506 8.043 7.114 1.00 0.00 N ATOM 0 H ARG A 42 1.342 2.617 3.642 1.00 0.00 H new ATOM 0 HA ARG A 42 0.843 3.533 6.415 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.077 2.627 4.232 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.544 2.903 5.899 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.292 5.036 4.132 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.021 4.815 4.309 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.145 4.877 6.952 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.078 6.026 6.170 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.559 6.759 5.209 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.230 6.189 8.436 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.306 7.358 9.209 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.933 8.253 6.212 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.829 8.521 7.955 1.00 0.00 H new ATOM 605 N PHE A 43 0.805 0.525 5.083 1.00 0.00 N ATOM 606 CA PHE A 43 0.894 -0.898 5.392 1.00 0.00 C ATOM 607 C PHE A 43 1.934 -1.581 4.510 1.00 0.00 C ATOM 608 O PHE A 43 2.324 -1.053 3.469 1.00 0.00 O ATOM 609 CB PHE A 43 -0.469 -1.567 5.205 1.00 0.00 C ATOM 610 CG PHE A 43 -0.478 -3.024 5.568 1.00 0.00 C ATOM 611 CD1 PHE A 43 -0.555 -3.421 6.894 1.00 0.00 C ATOM 612 CD2 PHE A 43 -0.410 -3.997 4.584 1.00 0.00 C ATOM 613 CE1 PHE A 43 -0.563 -4.761 7.231 1.00 0.00 C ATOM 614 CE2 PHE A 43 -0.418 -5.338 4.915 1.00 0.00 C ATOM 615 CZ PHE A 43 -0.495 -5.721 6.241 1.00 0.00 C ATOM 0 H PHE A 43 0.864 0.745 4.089 1.00 0.00 H new ATOM 0 HA PHE A 43 1.202 -1.001 6.433 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.207 -1.045 5.814 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.778 -1.458 4.166 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.609 -2.674 7.672 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.350 -3.704 3.546 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.622 -5.057 8.268 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.364 -6.087 4.138 1.00 0.00 H new ATOM 0 HZ PHE A 43 -0.502 -6.769 6.502 1.00 0.00 H new ATOM 625 N CYS A 44 2.381 -2.759 4.935 1.00 0.00 N ATOM 626 CA CYS A 44 3.376 -3.515 4.183 1.00 0.00 C ATOM 627 C CYS A 44 3.251 -5.008 4.465 1.00 0.00 C ATOM 628 O CYS A 44 3.111 -5.424 5.615 1.00 0.00 O ATOM 629 CB CYS A 44 4.784 -3.033 4.535 1.00 0.00 C ATOM 630 SG CYS A 44 5.101 -2.911 6.311 1.00 0.00 S ATOM 0 H CYS A 44 2.070 -3.210 5.795 1.00 0.00 H new ATOM 0 HA CYS A 44 3.197 -3.349 3.121 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.511 -3.715 4.093 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.946 -2.056 4.080 1.00 0.00 H new ATOM 0 HG CYS A 44 4.461 -3.857 6.932 1.00 0.00 H new ATOM 636 N GLY A 45 3.306 -5.811 3.407 1.00 0.00 N ATOM 637 CA GLY A 45 3.198 -7.250 3.562 1.00 0.00 C ATOM 638 C GLY A 45 2.249 -7.873 2.556 1.00 0.00 C ATOM 639 O GLY A 45 1.742 -7.190 1.667 1.00 0.00 O ATOM 0 H GLY A 45 3.423 -5.491 2.446 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.185 -7.699 3.452 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.854 -7.479 4.571 1.00 0.00 H new ATOM 643 N THR A 46 2.010 -9.173 2.698 1.00 0.00 N ATOM 644 CA THR A 46 1.117 -9.887 1.795 1.00 0.00 C ATOM 645 C THR A 46 -0.333 -9.471 2.021 1.00 0.00 C ATOM 646 O THR A 46 -0.725 -9.132 3.137 1.00 0.00 O ATOM 647 CB THR A 46 1.261 -11.398 1.990 1.00 0.00 C ATOM 648 OG1 THR A 46 1.230 -11.731 3.366 1.00 0.00 O ATOM 649 CG2 THR A 46 2.543 -11.956 1.412 1.00 0.00 C ATOM 0 H THR A 46 2.422 -9.752 3.429 1.00 0.00 H new ATOM 0 HA THR A 46 1.395 -9.631 0.773 1.00 0.00 H new ATOM 0 HB THR A 46 0.419 -11.840 1.458 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.322 -12.701 3.470 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.582 -13.032 1.584 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.575 -11.759 0.340 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.397 -11.480 1.894 1.00 0.00 H new ATOM 657 N THR A 47 -1.125 -9.499 0.954 1.00 0.00 N ATOM 658 CA THR A 47 -2.532 -9.124 1.037 1.00 0.00 C ATOM 659 C THR A 47 -3.421 -10.362 1.085 1.00 0.00 C ATOM 660 O THR A 47 -2.932 -11.492 1.072 1.00 0.00 O ATOM 661 CB THR A 47 -2.920 -8.249 -0.155 1.00 0.00 C ATOM 662 OG1 THR A 47 -2.410 -8.789 -1.362 1.00 0.00 O ATOM 663 CG2 THR A 47 -2.419 -6.825 -0.041 1.00 0.00 C ATOM 0 H THR A 47 -0.817 -9.777 0.022 1.00 0.00 H new ATOM 0 HA THR A 47 -2.678 -8.557 1.956 1.00 0.00 H new ATOM 0 HB THR A 47 -4.010 -8.234 -0.159 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.529 -8.401 -1.548 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.729 -6.259 -0.919 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.836 -6.363 0.854 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.331 -6.826 0.024 1.00 0.00 H new ATOM 671 N GLU A 48 -4.731 -10.142 1.141 1.00 0.00 N ATOM 672 CA GLU A 48 -5.689 -11.241 1.190 1.00 0.00 C ATOM 673 C GLU A 48 -6.481 -11.332 -0.111 1.00 0.00 C ATOM 674 O GLU A 48 -7.644 -11.735 -0.114 1.00 0.00 O ATOM 675 CB GLU A 48 -6.645 -11.058 2.371 1.00 0.00 C ATOM 676 CG GLU A 48 -6.128 -11.654 3.670 1.00 0.00 C ATOM 677 CD GLU A 48 -6.720 -13.019 3.961 1.00 0.00 C ATOM 678 OE1 GLU A 48 -6.958 -13.780 3.000 1.00 0.00 O ATOM 679 OE2 GLU A 48 -6.947 -13.326 5.150 1.00 0.00 O ATOM 0 H GLU A 48 -5.153 -9.213 1.154 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.133 -12.169 1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.829 -9.994 2.517 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.603 -11.517 2.127 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.042 -11.736 3.621 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.360 -10.978 4.493 1.00 0.00 H new ATOM 686 N PHE A 49 -5.843 -10.956 -1.213 1.00 0.00 N ATOM 687 CA PHE A 49 -6.487 -10.996 -2.521 1.00 0.00 C ATOM 688 C PHE A 49 -5.454 -11.156 -3.632 1.00 0.00 C ATOM 689 O PHE A 49 -5.617 -11.981 -4.532 1.00 0.00 O ATOM 690 CB PHE A 49 -7.306 -9.724 -2.750 1.00 0.00 C ATOM 691 CG PHE A 49 -6.478 -8.471 -2.774 1.00 0.00 C ATOM 692 CD1 PHE A 49 -6.142 -7.824 -1.596 1.00 0.00 C ATOM 693 CD2 PHE A 49 -6.037 -7.941 -3.976 1.00 0.00 C ATOM 694 CE1 PHE A 49 -5.380 -6.671 -1.616 1.00 0.00 C ATOM 695 CE2 PHE A 49 -5.275 -6.788 -4.003 1.00 0.00 C ATOM 696 CZ PHE A 49 -4.946 -6.152 -2.821 1.00 0.00 C ATOM 0 H PHE A 49 -4.880 -10.620 -1.227 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.154 -11.858 -2.543 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.843 -9.813 -3.695 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.056 -9.639 -1.964 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.479 -8.225 -0.652 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.292 -8.434 -4.902 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.124 -6.176 -0.691 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.937 -6.385 -4.946 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.351 -5.251 -2.839 1.00 0.00 H new ATOM 706 N ALA A 50 -4.390 -10.363 -3.563 1.00 0.00 N ATOM 707 CA ALA A 50 -3.330 -10.416 -4.562 1.00 0.00 C ATOM 708 C ALA A 50 -2.147 -11.238 -4.062 1.00 0.00 C ATOM 709 O ALA A 50 -1.792 -11.180 -2.885 1.00 0.00 O ATOM 710 CB ALA A 50 -2.881 -9.010 -4.931 1.00 0.00 C ATOM 0 H ALA A 50 -4.239 -9.675 -2.825 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.727 -10.903 -5.453 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.089 -9.065 -5.678 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.725 -8.453 -5.338 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.506 -8.503 -4.042 1.00 0.00 H new ATOM 716 N SER A 51 -1.540 -12.003 -4.963 1.00 0.00 N ATOM 717 CA SER A 51 -0.396 -12.837 -4.613 1.00 0.00 C ATOM 718 C SER A 51 0.893 -12.021 -4.612 1.00 0.00 C ATOM 719 O SER A 51 1.088 -11.150 -5.460 1.00 0.00 O ATOM 720 CB SER A 51 -0.274 -14.007 -5.590 1.00 0.00 C ATOM 721 OG SER A 51 -1.057 -15.110 -5.167 1.00 0.00 O ATOM 0 H SER A 51 -1.821 -12.063 -5.942 1.00 0.00 H new ATOM 0 HA SER A 51 -0.556 -13.228 -3.608 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.593 -13.690 -6.583 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.770 -14.309 -5.672 1.00 0.00 H new ATOM 0 HG SER A 51 -0.963 -15.844 -5.810 1.00 0.00 H new ATOM 727 N GLY A 52 1.770 -12.311 -3.657 1.00 0.00 N ATOM 728 CA GLY A 52 3.030 -11.598 -3.565 1.00 0.00 C ATOM 729 C GLY A 52 3.021 -10.543 -2.475 1.00 0.00 C ATOM 730 O GLY A 52 2.012 -10.351 -1.796 1.00 0.00 O ATOM 0 H GLY A 52 1.630 -13.028 -2.945 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.833 -12.309 -3.372 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.247 -11.125 -4.523 1.00 0.00 H new ATOM 734 N GLN A 53 4.147 -9.858 -2.308 1.00 0.00 N ATOM 735 CA GLN A 53 4.266 -8.817 -1.294 1.00 0.00 C ATOM 736 C GLN A 53 3.663 -7.506 -1.787 1.00 0.00 C ATOM 737 O GLN A 53 3.785 -7.157 -2.962 1.00 0.00 O ATOM 738 CB GLN A 53 5.735 -8.609 -0.917 1.00 0.00 C ATOM 739 CG GLN A 53 6.152 -9.361 0.336 1.00 0.00 C ATOM 740 CD GLN A 53 6.376 -10.839 0.083 1.00 0.00 C ATOM 741 OE1 GLN A 53 5.700 -11.681 0.858 1.00 0.00 O flip ATOM 742 NE2 GLN A 53 7.145 -11.220 -0.800 1.00 0.00 N flip ATOM 0 H GLN A 53 4.991 -10.005 -2.862 1.00 0.00 H new ATOM 0 HA GLN A 53 3.714 -9.139 -0.411 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.364 -8.928 -1.748 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.917 -7.544 -0.770 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.068 -8.921 0.731 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.384 -9.239 1.100 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.643 -10.538 -1.371 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.284 -12.218 -0.960 1.00 0.00 H new ATOM 751 N TRP A 54 3.013 -6.782 -0.882 1.00 0.00 N ATOM 752 CA TRP A 54 2.392 -5.508 -1.225 1.00 0.00 C ATOM 753 C TRP A 54 2.598 -4.486 -0.111 1.00 0.00 C ATOM 754 O TRP A 54 3.167 -4.799 0.934 1.00 0.00 O ATOM 755 CB TRP A 54 0.897 -5.699 -1.487 1.00 0.00 C ATOM 756 CG TRP A 54 0.609 -6.625 -2.630 1.00 0.00 C ATOM 757 CD1 TRP A 54 0.517 -7.987 -2.578 1.00 0.00 C ATOM 758 CD2 TRP A 54 0.375 -6.257 -3.994 1.00 0.00 C ATOM 759 NE1 TRP A 54 0.241 -8.488 -3.828 1.00 0.00 N ATOM 760 CE2 TRP A 54 0.148 -7.446 -4.713 1.00 0.00 C ATOM 761 CE3 TRP A 54 0.334 -5.039 -4.676 1.00 0.00 C ATOM 762 CZ2 TRP A 54 -0.115 -7.450 -6.080 1.00 0.00 C ATOM 763 CZ3 TRP A 54 0.072 -5.044 -6.034 1.00 0.00 C ATOM 764 CH2 TRP A 54 -0.149 -6.243 -6.723 1.00 0.00 C ATOM 0 H TRP A 54 2.903 -7.056 0.094 1.00 0.00 H new ATOM 0 HA TRP A 54 2.867 -5.133 -2.131 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.424 -6.088 -0.585 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.444 -4.729 -1.691 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.643 -8.583 -1.686 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.124 -9.475 -4.059 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.504 -4.110 -4.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.286 -8.373 -6.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.037 -4.108 -6.572 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.350 -6.214 -7.784 1.00 0.00 H new ATOM 775 N ALA A 55 2.130 -3.264 -0.343 1.00 0.00 N ATOM 776 CA ALA A 55 2.262 -2.196 0.641 1.00 0.00 C ATOM 777 C ALA A 55 1.234 -1.097 0.400 1.00 0.00 C ATOM 778 O ALA A 55 1.260 -0.423 -0.628 1.00 0.00 O ATOM 779 CB ALA A 55 3.670 -1.621 0.608 1.00 0.00 C ATOM 0 H ALA A 55 1.656 -2.989 -1.203 1.00 0.00 H new ATOM 0 HA ALA A 55 2.077 -2.620 1.628 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.755 -0.825 1.347 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.390 -2.407 0.837 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.876 -1.219 -0.384 1.00 0.00 H new ATOM 785 N GLY A 56 0.328 -0.922 1.357 1.00 0.00 N ATOM 786 CA GLY A 56 -0.697 0.097 1.231 1.00 0.00 C ATOM 787 C GLY A 56 -0.136 1.501 1.347 1.00 0.00 C ATOM 788 O GLY A 56 0.136 1.979 2.447 1.00 0.00 O ATOM 0 H GLY A 56 0.286 -1.468 2.218 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.198 -0.013 0.269 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.452 -0.054 2.002 1.00 0.00 H new ATOM 792 N ILE A 57 0.038 2.162 0.207 1.00 0.00 N ATOM 793 CA ILE A 57 0.571 3.519 0.184 1.00 0.00 C ATOM 794 C ILE A 57 -0.501 4.523 -0.228 1.00 0.00 C ATOM 795 O ILE A 57 -1.291 4.265 -1.135 1.00 0.00 O ATOM 796 CB ILE A 57 1.766 3.637 -0.779 1.00 0.00 C ATOM 797 CG1 ILE A 57 2.771 2.513 -0.520 1.00 0.00 C ATOM 798 CG2 ILE A 57 2.434 4.997 -0.630 1.00 0.00 C ATOM 799 CD1 ILE A 57 3.766 2.321 -1.644 1.00 0.00 C ATOM 0 H ILE A 57 -0.182 1.780 -0.713 1.00 0.00 H new ATOM 0 HA ILE A 57 0.907 3.744 1.196 1.00 0.00 H new ATOM 0 HB ILE A 57 1.400 3.543 -1.802 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.313 2.726 0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.229 1.581 -0.363 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.277 5.065 -1.317 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.714 5.783 -0.859 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.789 5.118 0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.447 1.508 -1.392 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.234 2.077 -2.563 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.335 3.240 -1.787 1.00 0.00 H new ATOM 811 N GLU A 58 -0.521 5.670 0.445 1.00 0.00 N ATOM 812 CA GLU A 58 -1.494 6.713 0.149 1.00 0.00 C ATOM 813 C GLU A 58 -0.848 7.857 -0.626 1.00 0.00 C ATOM 814 O GLU A 58 0.172 8.404 -0.208 1.00 0.00 O ATOM 815 CB GLU A 58 -2.114 7.244 1.443 1.00 0.00 C ATOM 816 CG GLU A 58 -3.555 7.701 1.285 1.00 0.00 C ATOM 817 CD GLU A 58 -3.915 8.831 2.229 1.00 0.00 C ATOM 818 OE1 GLU A 58 -4.273 8.543 3.390 1.00 0.00 O ATOM 819 OE2 GLU A 58 -3.839 10.004 1.807 1.00 0.00 O ATOM 0 H GLU A 58 0.126 5.899 1.199 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.279 6.277 -0.469 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.070 6.464 2.203 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.515 8.079 1.807 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.719 8.025 0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.222 6.857 1.463 1.00 0.00 H new ATOM 826 N LEU A 59 -1.449 8.214 -1.756 1.00 0.00 N ATOM 827 CA LEU A 59 -0.932 9.293 -2.589 1.00 0.00 C ATOM 828 C LEU A 59 -1.308 10.653 -2.013 1.00 0.00 C ATOM 829 O LEU A 59 -2.345 10.799 -1.365 1.00 0.00 O ATOM 830 CB LEU A 59 -1.468 9.164 -4.018 1.00 0.00 C ATOM 831 CG LEU A 59 -1.163 7.834 -4.706 1.00 0.00 C ATOM 832 CD1 LEU A 59 -2.290 7.454 -5.654 1.00 0.00 C ATOM 833 CD2 LEU A 59 0.160 7.912 -5.453 1.00 0.00 C ATOM 0 H LEU A 59 -2.295 7.772 -2.116 1.00 0.00 H new ATOM 0 HA LEU A 59 0.155 9.215 -2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.549 9.306 -3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.051 9.971 -4.620 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.081 7.061 -3.942 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.056 6.504 -6.135 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.220 7.357 -5.094 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.403 8.228 -6.414 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.361 6.956 -5.937 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.106 8.697 -6.208 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.962 8.139 -4.750 1.00 0.00 H new ATOM 845 N ASP A 60 -0.459 11.648 -2.253 1.00 0.00 N ATOM 846 CA ASP A 60 -0.704 12.997 -1.757 1.00 0.00 C ATOM 847 C ASP A 60 -1.879 13.640 -2.487 1.00 0.00 C ATOM 848 O ASP A 60 -2.635 14.415 -1.903 1.00 0.00 O ATOM 849 CB ASP A 60 0.549 13.859 -1.925 1.00 0.00 C ATOM 850 CG ASP A 60 1.780 13.214 -1.319 1.00 0.00 C ATOM 851 OD1 ASP A 60 1.635 12.485 -0.315 1.00 0.00 O ATOM 852 OD2 ASP A 60 2.888 13.436 -1.849 1.00 0.00 O ATOM 0 H ASP A 60 0.404 11.545 -2.787 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.951 12.929 -0.698 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.722 14.041 -2.986 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.384 14.830 -1.458 1.00 0.00 H new ATOM 857 N GLU A 61 -2.024 13.313 -3.767 1.00 0.00 N ATOM 858 CA GLU A 61 -3.107 13.859 -4.577 1.00 0.00 C ATOM 859 C GLU A 61 -4.127 12.776 -4.923 1.00 0.00 C ATOM 860 O GLU A 61 -3.822 11.584 -4.869 1.00 0.00 O ATOM 861 CB GLU A 61 -2.550 14.479 -5.860 1.00 0.00 C ATOM 862 CG GLU A 61 -2.012 15.888 -5.670 1.00 0.00 C ATOM 863 CD GLU A 61 -2.648 16.889 -6.616 1.00 0.00 C ATOM 864 OE1 GLU A 61 -3.806 16.666 -7.025 1.00 0.00 O ATOM 865 OE2 GLU A 61 -1.987 17.895 -6.947 1.00 0.00 O ATOM 0 H GLU A 61 -1.406 12.673 -4.265 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.608 14.633 -3.995 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.753 13.843 -6.245 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.335 14.498 -6.616 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -2.187 16.204 -4.642 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.933 15.884 -5.823 1.00 0.00 H new ATOM 872 N PRO A 62 -5.357 13.179 -5.288 1.00 0.00 N ATOM 873 CA PRO A 62 -6.422 12.236 -5.644 1.00 0.00 C ATOM 874 C PRO A 62 -6.132 11.504 -6.950 1.00 0.00 C ATOM 875 O PRO A 62 -6.604 11.902 -8.015 1.00 0.00 O ATOM 876 CB PRO A 62 -7.656 13.129 -5.794 1.00 0.00 C ATOM 877 CG PRO A 62 -7.113 14.479 -6.114 1.00 0.00 C ATOM 878 CD PRO A 62 -5.805 14.580 -5.380 1.00 0.00 C ATOM 0 HA PRO A 62 -6.538 11.452 -4.896 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.311 12.768 -6.587 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.245 13.147 -4.877 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.969 14.598 -7.188 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.801 15.262 -5.796 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.087 15.197 -5.921 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.931 15.027 -4.394 1.00 0.00 H new ATOM 886 N GLU A 63 -5.351 10.431 -6.860 1.00 0.00 N ATOM 887 CA GLU A 63 -4.997 9.644 -8.035 1.00 0.00 C ATOM 888 C GLU A 63 -4.958 8.156 -7.702 1.00 0.00 C ATOM 889 O GLU A 63 -4.179 7.400 -8.282 1.00 0.00 O ATOM 890 CB GLU A 63 -3.643 10.091 -8.585 1.00 0.00 C ATOM 891 CG GLU A 63 -3.582 11.572 -8.925 1.00 0.00 C ATOM 892 CD GLU A 63 -2.692 11.861 -10.118 1.00 0.00 C ATOM 893 OE1 GLU A 63 -1.456 11.867 -9.948 1.00 0.00 O ATOM 894 OE2 GLU A 63 -3.233 12.081 -11.222 1.00 0.00 O ATOM 0 H GLU A 63 -4.952 10.088 -5.986 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.761 9.808 -8.795 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.869 9.863 -7.852 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.415 9.512 -9.480 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.589 11.935 -9.131 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.215 12.125 -8.060 1.00 0.00 H new ATOM 901 N GLY A 64 -5.804 7.742 -6.764 1.00 0.00 N ATOM 902 CA GLY A 64 -5.850 6.346 -6.370 1.00 0.00 C ATOM 903 C GLY A 64 -7.092 5.642 -6.878 1.00 0.00 C ATOM 904 O GLY A 64 -7.914 6.240 -7.571 1.00 0.00 O ATOM 0 H GLY A 64 -6.458 8.348 -6.270 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.965 5.835 -6.750 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.816 6.277 -5.283 1.00 0.00 H new ATOM 908 N LYS A 65 -7.230 4.365 -6.533 1.00 0.00 N ATOM 909 CA LYS A 65 -8.382 3.578 -6.959 1.00 0.00 C ATOM 910 C LYS A 65 -8.951 2.771 -5.797 1.00 0.00 C ATOM 911 O LYS A 65 -9.513 1.694 -5.993 1.00 0.00 O ATOM 912 CB LYS A 65 -7.990 2.641 -8.103 1.00 0.00 C ATOM 913 CG LYS A 65 -7.513 3.368 -9.349 1.00 0.00 C ATOM 914 CD LYS A 65 -8.682 3.850 -10.194 1.00 0.00 C ATOM 915 CE LYS A 65 -8.206 4.607 -11.423 1.00 0.00 C ATOM 916 NZ LYS A 65 -7.751 5.984 -11.084 1.00 0.00 N ATOM 0 H LYS A 65 -6.559 3.854 -5.960 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.151 4.266 -7.309 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.202 1.971 -7.759 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.847 2.019 -8.361 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.895 4.219 -9.061 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.884 2.703 -9.941 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.286 2.996 -10.502 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.324 4.495 -9.594 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.389 4.060 -11.893 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.014 4.661 -12.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.434 6.468 -11.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.538 6.515 -10.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.963 5.932 -10.408 1.00 0.00 H new ATOM 930 N ASN A 66 -8.803 3.298 -4.586 1.00 0.00 N ATOM 931 CA ASN A 66 -9.304 2.626 -3.393 1.00 0.00 C ATOM 932 C ASN A 66 -9.538 3.624 -2.264 1.00 0.00 C ATOM 933 O ASN A 66 -9.183 4.798 -2.375 1.00 0.00 O ATOM 934 CB ASN A 66 -8.320 1.547 -2.939 1.00 0.00 C ATOM 935 CG ASN A 66 -8.495 0.248 -3.702 1.00 0.00 C ATOM 936 OD1 ASN A 66 -9.616 -0.163 -4.002 1.00 0.00 O ATOM 937 ND2 ASN A 66 -7.383 -0.407 -4.017 1.00 0.00 N ATOM 0 H ASN A 66 -8.340 4.189 -4.405 1.00 0.00 H new ATOM 0 HA ASN A 66 -10.256 2.158 -3.643 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.301 1.909 -3.072 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.455 1.361 -1.874 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.437 -1.288 -4.528 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.475 -0.029 -3.748 1.00 0.00 H new ATOM 944 N ASN A 67 -10.138 3.150 -1.176 1.00 0.00 N ATOM 945 CA ASN A 67 -10.420 4.001 -0.026 1.00 0.00 C ATOM 946 C ASN A 67 -9.828 3.408 1.249 1.00 0.00 C ATOM 947 O ASN A 67 -10.361 3.603 2.341 1.00 0.00 O ATOM 948 CB ASN A 67 -11.929 4.190 0.138 1.00 0.00 C ATOM 949 CG ASN A 67 -12.657 2.874 0.338 1.00 0.00 C ATOM 950 OD1 ASN A 67 -12.133 1.949 0.956 1.00 0.00 O ATOM 951 ND2 ASN A 67 -13.874 2.787 -0.188 1.00 0.00 N ATOM 0 H ASN A 67 -10.438 2.181 -1.067 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.957 4.972 -0.202 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.121 4.842 0.991 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -12.328 4.693 -0.743 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -14.413 1.927 -0.087 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.269 3.580 -0.693 1.00 0.00 H new ATOM 958 N GLY A 68 -8.723 2.686 1.102 1.00 0.00 N ATOM 959 CA GLY A 68 -8.077 2.076 2.251 1.00 0.00 C ATOM 960 C GLY A 68 -8.482 0.628 2.446 1.00 0.00 C ATOM 961 O GLY A 68 -7.715 -0.170 2.985 1.00 0.00 O ATOM 0 H GLY A 68 -8.263 2.512 0.209 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.995 2.134 2.128 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.327 2.643 3.148 1.00 0.00 H new ATOM 965 N SER A 69 -9.689 0.289 2.006 1.00 0.00 N ATOM 966 CA SER A 69 -10.194 -1.073 2.136 1.00 0.00 C ATOM 967 C SER A 69 -10.451 -1.692 0.765 1.00 0.00 C ATOM 968 O SER A 69 -11.089 -1.081 -0.093 1.00 0.00 O ATOM 969 CB SER A 69 -11.481 -1.085 2.961 1.00 0.00 C ATOM 970 OG SER A 69 -12.358 -0.048 2.556 1.00 0.00 O ATOM 0 H SER A 69 -10.335 0.938 1.557 1.00 0.00 H new ATOM 0 HA SER A 69 -9.436 -1.667 2.647 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.978 -2.049 2.851 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.240 -0.969 4.018 1.00 0.00 H new ATOM 0 HG SER A 69 -12.032 0.349 1.721 1.00 0.00 H new ATOM 976 N VAL A 70 -9.949 -2.905 0.565 1.00 0.00 N ATOM 977 CA VAL A 70 -10.125 -3.607 -0.700 1.00 0.00 C ATOM 978 C VAL A 70 -11.173 -4.707 -0.579 1.00 0.00 C ATOM 979 O VAL A 70 -10.890 -5.795 -0.078 1.00 0.00 O ATOM 980 CB VAL A 70 -8.801 -4.227 -1.187 1.00 0.00 C ATOM 981 CG1 VAL A 70 -8.958 -4.786 -2.593 1.00 0.00 C ATOM 982 CG2 VAL A 70 -7.680 -3.201 -1.135 1.00 0.00 C ATOM 0 H VAL A 70 -9.416 -3.423 1.264 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.462 -2.868 -1.427 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.540 -5.050 -0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.013 -5.220 -2.920 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.730 -5.555 -2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.244 -3.984 -3.274 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.753 -3.657 -1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.931 -2.355 -1.775 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.552 -2.854 -0.110 1.00 0.00 H new ATOM 992 N GLY A 71 -12.386 -4.415 -1.038 1.00 0.00 N ATOM 993 CA GLY A 71 -13.458 -5.390 -0.971 1.00 0.00 C ATOM 994 C GLY A 71 -13.957 -5.606 0.444 1.00 0.00 C ATOM 995 O GLY A 71 -14.583 -4.722 1.031 1.00 0.00 O ATOM 0 H GLY A 71 -12.645 -3.521 -1.455 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.286 -5.059 -1.598 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.108 -6.339 -1.379 1.00 0.00 H new ATOM 999 N ARG A 72 -13.681 -6.784 0.995 1.00 0.00 N ATOM 1000 CA ARG A 72 -14.106 -7.113 2.350 1.00 0.00 C ATOM 1001 C ARG A 72 -12.910 -7.178 3.295 1.00 0.00 C ATOM 1002 O ARG A 72 -12.919 -7.927 4.273 1.00 0.00 O ATOM 1003 CB ARG A 72 -14.852 -8.448 2.362 1.00 0.00 C ATOM 1004 CG ARG A 72 -16.044 -8.486 1.419 1.00 0.00 C ATOM 1005 CD ARG A 72 -15.626 -8.844 0.001 1.00 0.00 C ATOM 1006 NE ARG A 72 -16.324 -10.028 -0.494 1.00 0.00 N ATOM 1007 CZ ARG A 72 -17.575 -10.014 -0.948 1.00 0.00 C ATOM 1008 NH1 ARG A 72 -18.268 -8.882 -0.973 1.00 0.00 N ATOM 1009 NH2 ARG A 72 -18.136 -11.135 -1.381 1.00 0.00 N ATOM 0 H ARG A 72 -13.165 -7.526 0.523 1.00 0.00 H new ATOM 0 HA ARG A 72 -14.777 -6.326 2.695 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.159 -9.245 2.091 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.194 -8.655 3.376 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -16.771 -9.214 1.779 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.539 -7.515 1.419 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -15.828 -8.001 -0.660 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -14.551 -9.019 -0.026 1.00 0.00 H new ATOM 0 HE ARG A 72 -15.824 -10.917 -0.492 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -17.842 -8.016 -0.643 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -19.226 -8.878 -1.322 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -17.609 -12.008 -1.366 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -19.095 -11.124 -1.729 1.00 0.00 H new ATOM 1023 N VAL A 73 -11.882 -6.389 2.998 1.00 0.00 N ATOM 1024 CA VAL A 73 -10.679 -6.358 3.821 1.00 0.00 C ATOM 1025 C VAL A 73 -10.144 -4.937 3.960 1.00 0.00 C ATOM 1026 O VAL A 73 -10.128 -4.173 2.996 1.00 0.00 O ATOM 1027 CB VAL A 73 -9.574 -7.256 3.236 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -8.409 -7.373 4.207 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -10.128 -8.629 2.889 1.00 0.00 C ATOM 0 H VAL A 73 -11.858 -5.763 2.193 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.960 -6.735 4.804 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.207 -6.796 2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.638 -8.012 3.775 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.995 -6.383 4.399 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.758 -7.808 5.143 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.332 -9.249 2.477 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -10.525 -9.099 3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.925 -8.524 2.152 1.00 0.00 H new ATOM 1039 N GLN A 74 -9.707 -4.590 5.167 1.00 0.00 N ATOM 1040 CA GLN A 74 -9.170 -3.260 5.431 1.00 0.00 C ATOM 1041 C GLN A 74 -7.654 -3.308 5.595 1.00 0.00 C ATOM 1042 O GLN A 74 -7.081 -4.366 5.853 1.00 0.00 O ATOM 1043 CB GLN A 74 -9.813 -2.669 6.688 1.00 0.00 C ATOM 1044 CG GLN A 74 -9.781 -1.150 6.729 1.00 0.00 C ATOM 1045 CD GLN A 74 -8.586 -0.612 7.492 1.00 0.00 C ATOM 1046 OE1 GLN A 74 -8.049 -1.278 8.377 1.00 0.00 O ATOM 1047 NE2 GLN A 74 -8.163 0.600 7.153 1.00 0.00 N ATOM 0 H GLN A 74 -9.714 -5.211 5.976 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.404 -2.624 4.578 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.848 -3.004 6.749 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.300 -3.059 7.567 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.761 -0.763 5.710 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -10.698 -0.783 7.191 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.638 1.117 6.413 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.363 1.014 7.632 1.00 0.00 H new ATOM 1056 N TYR A 75 -7.011 -2.155 5.443 1.00 0.00 N ATOM 1057 CA TYR A 75 -5.561 -2.065 5.575 1.00 0.00 C ATOM 1058 C TYR A 75 -5.158 -0.770 6.273 1.00 0.00 C ATOM 1059 O TYR A 75 -4.423 -0.789 7.260 1.00 0.00 O ATOM 1060 CB TYR A 75 -4.898 -2.145 4.199 1.00 0.00 C ATOM 1061 CG TYR A 75 -5.281 -3.378 3.412 1.00 0.00 C ATOM 1062 CD1 TYR A 75 -6.533 -3.484 2.818 1.00 0.00 C ATOM 1063 CD2 TYR A 75 -4.393 -4.435 3.263 1.00 0.00 C ATOM 1064 CE1 TYR A 75 -6.887 -4.608 2.097 1.00 0.00 C ATOM 1065 CE2 TYR A 75 -4.740 -5.563 2.544 1.00 0.00 C ATOM 1066 CZ TYR A 75 -5.988 -5.645 1.964 1.00 0.00 C ATOM 1067 OH TYR A 75 -6.337 -6.767 1.246 1.00 0.00 O ATOM 0 H TYR A 75 -7.471 -1.270 5.228 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.223 -2.904 6.183 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -5.167 -1.259 3.624 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.815 -2.127 4.325 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -7.241 -2.675 2.922 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.415 -4.375 3.717 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.863 -4.674 1.640 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.037 -6.376 2.437 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.347 -6.553 0.290 1.00 0.00 H new ATOM 1077 N PHE A 76 -5.642 0.352 5.752 1.00 0.00 N ATOM 1078 CA PHE A 76 -5.331 1.657 6.326 1.00 0.00 C ATOM 1079 C PHE A 76 -6.447 2.655 6.040 1.00 0.00 C ATOM 1080 O PHE A 76 -7.176 2.524 5.056 1.00 0.00 O ATOM 1081 CB PHE A 76 -4.007 2.180 5.767 1.00 0.00 C ATOM 1082 CG PHE A 76 -3.992 2.296 4.270 1.00 0.00 C ATOM 1083 CD1 PHE A 76 -3.690 1.199 3.480 1.00 0.00 C ATOM 1084 CD2 PHE A 76 -4.278 3.503 3.652 1.00 0.00 C ATOM 1085 CE1 PHE A 76 -3.674 1.303 2.102 1.00 0.00 C ATOM 1086 CE2 PHE A 76 -4.263 3.613 2.275 1.00 0.00 C ATOM 1087 CZ PHE A 76 -3.962 2.511 1.499 1.00 0.00 C ATOM 0 H PHE A 76 -6.251 0.385 4.934 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.240 1.540 7.406 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.800 3.158 6.201 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.202 1.515 6.080 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.464 0.251 3.946 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.515 4.368 4.254 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.436 0.440 1.498 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.486 4.560 1.806 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.952 2.594 0.422 1.00 0.00 H new ATOM 1097 N LYS A 77 -6.576 3.656 6.905 1.00 0.00 N ATOM 1098 CA LYS A 77 -7.604 4.678 6.745 1.00 0.00 C ATOM 1099 C LYS A 77 -7.102 5.823 5.872 1.00 0.00 C ATOM 1100 O LYS A 77 -5.978 6.296 6.037 1.00 0.00 O ATOM 1101 CB LYS A 77 -8.037 5.214 8.111 1.00 0.00 C ATOM 1102 CG LYS A 77 -8.550 4.136 9.053 1.00 0.00 C ATOM 1103 CD LYS A 77 -7.497 3.745 10.077 1.00 0.00 C ATOM 1104 CE LYS A 77 -7.221 4.877 11.054 1.00 0.00 C ATOM 1105 NZ LYS A 77 -8.071 4.779 12.273 1.00 0.00 N ATOM 0 H LYS A 77 -5.981 3.781 7.724 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.462 4.220 6.253 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.192 5.721 8.578 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.817 5.961 7.968 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.443 4.494 9.566 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -8.843 3.258 8.478 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.831 2.864 10.625 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.574 3.472 9.565 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.170 4.860 11.342 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.401 5.833 10.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.852 5.569 12.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.074 4.821 12.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -7.881 3.878 12.757 1.00 0.00 H new ATOM 1119 N CYS A 78 -7.944 6.265 4.943 1.00 0.00 N ATOM 1120 CA CYS A 78 -7.586 7.355 4.043 1.00 0.00 C ATOM 1121 C CYS A 78 -8.801 7.831 3.255 1.00 0.00 C ATOM 1122 O CYS A 78 -9.880 7.245 3.343 1.00 0.00 O ATOM 1123 CB CYS A 78 -6.482 6.909 3.082 1.00 0.00 C ATOM 1124 SG CYS A 78 -6.968 5.569 1.971 1.00 0.00 S ATOM 0 H CYS A 78 -8.879 5.885 4.794 1.00 0.00 H new ATOM 0 HA CYS A 78 -7.219 8.185 4.646 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -6.167 7.765 2.485 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -5.617 6.589 3.663 1.00 0.00 H new ATOM 0 HG CYS A 78 -6.150 4.569 2.114 1.00 0.00 H new ATOM 1130 N ALA A 79 -8.617 8.897 2.482 1.00 0.00 N ATOM 1131 CA ALA A 79 -9.698 9.453 1.677 1.00 0.00 C ATOM 1132 C ALA A 79 -9.860 8.682 0.370 1.00 0.00 C ATOM 1133 O ALA A 79 -8.982 7.910 -0.018 1.00 0.00 O ATOM 1134 CB ALA A 79 -9.442 10.926 1.397 1.00 0.00 C ATOM 0 H ALA A 79 -7.730 9.393 2.396 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.626 9.359 2.241 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.257 11.329 0.795 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.383 11.471 2.339 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.502 11.035 0.856 1.00 0.00 H new ATOM 1140 N PRO A 80 -10.991 8.880 -0.331 1.00 0.00 N ATOM 1141 CA PRO A 80 -11.262 8.199 -1.601 1.00 0.00 C ATOM 1142 C PRO A 80 -10.334 8.665 -2.716 1.00 0.00 C ATOM 1143 O PRO A 80 -9.948 9.833 -2.770 1.00 0.00 O ATOM 1144 CB PRO A 80 -12.710 8.585 -1.912 1.00 0.00 C ATOM 1145 CG PRO A 80 -12.927 9.867 -1.187 1.00 0.00 C ATOM 1146 CD PRO A 80 -12.090 9.783 0.059 1.00 0.00 C ATOM 0 HA PRO A 80 -11.102 7.123 -1.529 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -12.865 8.706 -2.984 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -13.405 7.817 -1.574 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -12.630 10.718 -1.800 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -13.980 10.003 -0.942 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -11.718 10.762 0.361 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.659 9.385 0.900 1.00 0.00 H new ATOM 1154 N LYS A 81 -9.978 7.745 -3.608 1.00 0.00 N ATOM 1155 CA LYS A 81 -9.094 8.061 -4.724 1.00 0.00 C ATOM 1156 C LYS A 81 -7.724 8.505 -4.225 1.00 0.00 C ATOM 1157 O LYS A 81 -7.055 9.320 -4.860 1.00 0.00 O ATOM 1158 CB LYS A 81 -9.712 9.156 -5.597 1.00 0.00 C ATOM 1159 CG LYS A 81 -11.116 8.832 -6.080 1.00 0.00 C ATOM 1160 CD LYS A 81 -11.109 8.320 -7.513 1.00 0.00 C ATOM 1161 CE LYS A 81 -11.269 6.808 -7.569 1.00 0.00 C ATOM 1162 NZ LYS A 81 -12.482 6.407 -8.335 1.00 0.00 N ATOM 0 H LYS A 81 -10.289 6.774 -3.579 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.967 7.158 -5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.738 10.088 -5.032 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.070 9.325 -6.461 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.562 8.082 -5.427 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.739 9.724 -6.014 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.916 8.793 -8.073 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.175 8.606 -7.997 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -10.386 6.366 -8.030 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.332 6.412 -6.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.556 5.370 -8.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.328 6.808 -7.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.411 6.763 -9.309 1.00 0.00 H new ATOM 1176 N TYR A 82 -7.311 7.965 -3.083 1.00 0.00 N ATOM 1177 CA TYR A 82 -6.019 8.308 -2.498 1.00 0.00 C ATOM 1178 C TYR A 82 -5.233 7.050 -2.138 1.00 0.00 C ATOM 1179 O TYR A 82 -4.038 6.953 -2.413 1.00 0.00 O ATOM 1180 CB TYR A 82 -6.213 9.175 -1.254 1.00 0.00 C ATOM 1181 CG TYR A 82 -6.566 10.612 -1.566 1.00 0.00 C ATOM 1182 CD1 TYR A 82 -5.603 11.502 -2.024 1.00 0.00 C ATOM 1183 CD2 TYR A 82 -7.865 11.079 -1.403 1.00 0.00 C ATOM 1184 CE1 TYR A 82 -5.921 12.815 -2.310 1.00 0.00 C ATOM 1185 CE2 TYR A 82 -8.192 12.391 -1.688 1.00 0.00 C ATOM 1186 CZ TYR A 82 -7.218 13.254 -2.140 1.00 0.00 C ATOM 1187 OH TYR A 82 -7.540 14.561 -2.425 1.00 0.00 O ATOM 0 H TYR A 82 -7.852 7.288 -2.544 1.00 0.00 H new ATOM 0 HA TYR A 82 -5.451 8.870 -3.239 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.001 8.741 -0.639 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.299 9.155 -0.661 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.587 11.161 -2.159 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.631 10.406 -1.048 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.159 13.494 -2.664 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.206 12.738 -1.557 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.494 14.708 -2.253 1.00 0.00 H new ATOM 1197 N GLY A 83 -5.913 6.090 -1.519 1.00 0.00 N ATOM 1198 CA GLY A 83 -5.261 4.853 -1.131 1.00 0.00 C ATOM 1199 C GLY A 83 -5.043 3.918 -2.304 1.00 0.00 C ATOM 1200 O GLY A 83 -5.946 3.705 -3.114 1.00 0.00 O ATOM 0 H GLY A 83 -6.903 6.147 -1.279 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.300 5.082 -0.670 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.865 4.349 -0.376 1.00 0.00 H new ATOM 1204 N ILE A 84 -3.842 3.358 -2.394 1.00 0.00 N ATOM 1205 CA ILE A 84 -3.505 2.439 -3.476 1.00 0.00 C ATOM 1206 C ILE A 84 -2.433 1.447 -3.035 1.00 0.00 C ATOM 1207 O ILE A 84 -1.557 1.777 -2.235 1.00 0.00 O ATOM 1208 CB ILE A 84 -3.014 3.199 -4.724 1.00 0.00 C ATOM 1209 CG1 ILE A 84 -2.764 2.226 -5.879 1.00 0.00 C ATOM 1210 CG2 ILE A 84 -1.753 3.989 -4.407 1.00 0.00 C ATOM 1211 CD1 ILE A 84 -3.156 2.781 -7.232 1.00 0.00 C ATOM 0 H ILE A 84 -3.085 3.524 -1.731 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.415 1.895 -3.730 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.790 3.901 -5.028 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.707 1.960 -5.897 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.321 1.307 -5.697 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.421 4.519 -5.300 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.964 4.708 -3.616 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.969 3.307 -4.078 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.951 2.038 -8.003 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.219 3.021 -7.233 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.580 3.684 -7.436 1.00 0.00 H new ATOM 1223 N PHE A 85 -2.509 0.228 -3.560 1.00 0.00 N ATOM 1224 CA PHE A 85 -1.546 -0.812 -3.218 1.00 0.00 C ATOM 1225 C PHE A 85 -0.571 -1.054 -4.367 1.00 0.00 C ATOM 1226 O PHE A 85 -0.888 -0.799 -5.529 1.00 0.00 O ATOM 1227 CB PHE A 85 -2.270 -2.112 -2.868 1.00 0.00 C ATOM 1228 CG PHE A 85 -3.152 -2.000 -1.656 1.00 0.00 C ATOM 1229 CD1 PHE A 85 -4.387 -1.375 -1.738 1.00 0.00 C ATOM 1230 CD2 PHE A 85 -2.746 -2.518 -0.437 1.00 0.00 C ATOM 1231 CE1 PHE A 85 -5.200 -1.270 -0.625 1.00 0.00 C ATOM 1232 CE2 PHE A 85 -3.554 -2.416 0.679 1.00 0.00 C ATOM 1233 CZ PHE A 85 -4.783 -1.791 0.585 1.00 0.00 C ATOM 0 H PHE A 85 -3.227 -0.063 -4.223 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.979 -0.474 -2.350 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.875 -2.422 -3.720 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.531 -2.896 -2.699 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.717 -0.966 -2.681 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.786 -3.007 -0.358 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -6.160 -0.781 -0.701 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.226 -2.824 1.623 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.417 -1.710 1.456 1.00 0.00 H new ATOM 1243 N ALA A 86 0.616 -1.549 -4.032 1.00 0.00 N ATOM 1244 CA ALA A 86 1.639 -1.828 -5.033 1.00 0.00 C ATOM 1245 C ALA A 86 2.643 -2.855 -4.517 1.00 0.00 C ATOM 1246 O ALA A 86 2.898 -2.935 -3.315 1.00 0.00 O ATOM 1247 CB ALA A 86 2.350 -0.544 -5.433 1.00 0.00 C ATOM 0 H ALA A 86 0.893 -1.765 -3.075 1.00 0.00 H new ATOM 0 HA ALA A 86 1.150 -2.247 -5.913 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.111 -0.767 -6.181 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.627 0.158 -5.849 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.822 -0.101 -4.556 1.00 0.00 H new ATOM 1253 N PRO A 87 3.229 -3.659 -5.421 1.00 0.00 N ATOM 1254 CA PRO A 87 4.209 -4.684 -5.046 1.00 0.00 C ATOM 1255 C PRO A 87 5.383 -4.105 -4.263 1.00 0.00 C ATOM 1256 O PRO A 87 6.121 -3.261 -4.766 1.00 0.00 O ATOM 1257 CB PRO A 87 4.687 -5.239 -6.392 1.00 0.00 C ATOM 1258 CG PRO A 87 3.589 -4.925 -7.348 1.00 0.00 C ATOM 1259 CD PRO A 87 2.984 -3.634 -6.874 1.00 0.00 C ATOM 0 HA PRO A 87 3.773 -5.439 -4.392 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.624 -4.775 -6.700 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.866 -6.313 -6.335 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.972 -4.827 -8.364 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.845 -5.722 -7.364 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.454 -2.772 -7.347 1.00 0.00 H new ATOM 0 HD3 PRO A 87 1.919 -3.581 -7.102 1.00 0.00 H new ATOM 1267 N LEU A 88 5.543 -4.564 -3.022 1.00 0.00 N ATOM 1268 CA LEU A 88 6.627 -4.093 -2.165 1.00 0.00 C ATOM 1269 C LEU A 88 7.944 -4.133 -2.922 1.00 0.00 C ATOM 1270 O LEU A 88 8.713 -3.173 -2.915 1.00 0.00 O ATOM 1271 CB LEU A 88 6.720 -4.948 -0.900 1.00 0.00 C ATOM 1272 CG LEU A 88 7.560 -4.345 0.228 1.00 0.00 C ATOM 1273 CD1 LEU A 88 6.963 -3.025 0.690 1.00 0.00 C ATOM 1274 CD2 LEU A 88 7.666 -5.321 1.391 1.00 0.00 C ATOM 0 H LEU A 88 4.936 -5.260 -2.590 1.00 0.00 H new ATOM 0 HA LEU A 88 6.417 -3.064 -1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.712 -5.127 -0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.139 -5.919 -1.166 1.00 0.00 H new ATOM 0 HG LEU A 88 8.563 -4.153 -0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.573 -2.611 1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.938 -2.325 -0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.949 -3.192 1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.267 -4.877 2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.669 -5.543 1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.138 -6.242 1.051 1.00 0.00 H new ATOM 1286 N SER A 89 8.182 -5.254 -3.595 1.00 0.00 N ATOM 1287 CA SER A 89 9.390 -5.426 -4.385 1.00 0.00 C ATOM 1288 C SER A 89 9.504 -4.301 -5.408 1.00 0.00 C ATOM 1289 O SER A 89 10.599 -3.960 -5.855 1.00 0.00 O ATOM 1290 CB SER A 89 9.379 -6.781 -5.095 1.00 0.00 C ATOM 1291 OG SER A 89 10.693 -7.293 -5.238 1.00 0.00 O ATOM 0 H SER A 89 7.552 -6.056 -3.607 1.00 0.00 H new ATOM 0 HA SER A 89 10.251 -5.393 -3.718 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.770 -7.486 -4.529 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.917 -6.677 -6.077 1.00 0.00 H new ATOM 0 HG SER A 89 10.658 -8.160 -5.693 1.00 0.00 H new ATOM 1297 N LYS A 90 8.359 -3.716 -5.760 1.00 0.00 N ATOM 1298 CA LYS A 90 8.329 -2.617 -6.714 1.00 0.00 C ATOM 1299 C LYS A 90 8.364 -1.274 -5.987 1.00 0.00 C ATOM 1300 O LYS A 90 8.576 -0.230 -6.605 1.00 0.00 O ATOM 1301 CB LYS A 90 7.079 -2.702 -7.591 1.00 0.00 C ATOM 1302 CG LYS A 90 7.162 -3.776 -8.666 1.00 0.00 C ATOM 1303 CD LYS A 90 6.974 -3.192 -10.057 1.00 0.00 C ATOM 1304 CE LYS A 90 8.165 -2.342 -10.474 1.00 0.00 C ATOM 1305 NZ LYS A 90 8.658 -2.706 -11.831 1.00 0.00 N ATOM 0 H LYS A 90 7.445 -3.987 -5.398 1.00 0.00 H new ATOM 0 HA LYS A 90 9.211 -2.695 -7.350 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.214 -2.899 -6.958 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.912 -1.735 -8.067 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.129 -4.275 -8.608 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.400 -4.534 -8.483 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.834 -4.000 -10.775 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.068 -2.586 -10.078 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.882 -1.289 -10.461 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.970 -2.465 -9.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.470 -2.105 -12.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.952 -3.704 -11.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.898 -2.564 -12.526 1.00 0.00 H new ATOM 1319 N ILE A 91 8.155 -1.305 -4.671 1.00 0.00 N ATOM 1320 CA ILE A 91 8.165 -0.088 -3.870 1.00 0.00 C ATOM 1321 C ILE A 91 9.461 0.036 -3.075 1.00 0.00 C ATOM 1322 O ILE A 91 9.939 -0.937 -2.491 1.00 0.00 O ATOM 1323 CB ILE A 91 6.971 -0.045 -2.896 1.00 0.00 C ATOM 1324 CG1 ILE A 91 5.665 -0.322 -3.642 1.00 0.00 C ATOM 1325 CG2 ILE A 91 6.909 1.302 -2.191 1.00 0.00 C ATOM 1326 CD1 ILE A 91 4.552 -0.821 -2.747 1.00 0.00 C ATOM 0 H ILE A 91 7.978 -2.158 -4.141 1.00 0.00 H new ATOM 0 HA ILE A 91 8.087 0.748 -4.565 1.00 0.00 H new ATOM 0 HB ILE A 91 7.109 -0.821 -2.143 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.339 0.592 -4.139 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.851 -1.060 -4.422 1.00 0.00 H new ATOM 0 HG21 ILE A 91 6.060 1.316 -1.507 1.00 0.00 H new ATOM 0 HG22 ILE A 91 7.830 1.462 -1.630 1.00 0.00 H new ATOM 0 HG23 ILE A 91 6.792 2.095 -2.930 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.657 -0.996 -3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 91 4.858 -1.752 -2.270 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.338 -0.075 -1.982 1.00 0.00 H new ATOM 1338 N SER A 92 10.025 1.240 -3.057 1.00 0.00 N ATOM 1339 CA SER A 92 11.265 1.492 -2.334 1.00 0.00 C ATOM 1340 C SER A 92 11.200 2.823 -1.590 1.00 0.00 C ATOM 1341 O SER A 92 10.192 3.527 -1.648 1.00 0.00 O ATOM 1342 CB SER A 92 12.452 1.493 -3.299 1.00 0.00 C ATOM 1343 OG SER A 92 12.761 0.178 -3.728 1.00 0.00 O ATOM 0 H SER A 92 9.642 2.056 -3.535 1.00 0.00 H new ATOM 0 HA SER A 92 11.399 0.693 -1.604 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.222 2.116 -4.163 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.321 1.933 -2.811 1.00 0.00 H new ATOM 0 HG SER A 92 13.522 0.206 -4.345 1.00 0.00 H new ATOM 1349 N LYS A 93 12.280 3.160 -0.893 1.00 0.00 N ATOM 1350 CA LYS A 93 12.344 4.405 -0.138 1.00 0.00 C ATOM 1351 C LYS A 93 12.612 5.589 -1.063 1.00 0.00 C ATOM 1352 O LYS A 93 13.210 5.434 -2.127 1.00 0.00 O ATOM 1353 CB LYS A 93 13.434 4.322 0.933 1.00 0.00 C ATOM 1354 CG LYS A 93 13.060 5.009 2.236 1.00 0.00 C ATOM 1355 CD LYS A 93 13.306 6.509 2.168 1.00 0.00 C ATOM 1356 CE LYS A 93 14.016 7.017 3.413 1.00 0.00 C ATOM 1357 NZ LYS A 93 13.075 7.684 4.356 1.00 0.00 N ATOM 0 H LYS A 93 13.123 2.588 -0.836 1.00 0.00 H new ATOM 0 HA LYS A 93 11.380 4.557 0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.654 3.274 1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.348 4.771 0.545 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.010 4.822 2.459 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.640 4.581 3.053 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.905 6.740 1.287 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.355 7.029 2.053 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.505 6.184 3.917 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.798 7.719 3.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.598 8.016 5.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.627 8.495 3.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.343 7.008 4.652 1.00 0.00 H new ATOM 1371 N LEU A 94 12.165 6.769 -0.648 1.00 0.00 N ATOM 1372 CA LEU A 94 12.355 7.979 -1.439 1.00 0.00 C ATOM 1373 C LEU A 94 13.798 8.466 -1.351 1.00 0.00 C ATOM 1374 O LEU A 94 14.233 8.967 -0.315 1.00 0.00 O ATOM 1375 CB LEU A 94 11.404 9.080 -0.961 1.00 0.00 C ATOM 1376 CG LEU A 94 11.445 10.371 -1.780 1.00 0.00 C ATOM 1377 CD1 LEU A 94 11.038 10.104 -3.219 1.00 0.00 C ATOM 1378 CD2 LEU A 94 10.543 11.425 -1.154 1.00 0.00 C ATOM 0 H LEU A 94 11.669 6.913 0.231 1.00 0.00 H new ATOM 0 HA LEU A 94 12.133 7.741 -2.479 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.386 8.691 -0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 94 11.640 9.318 0.076 1.00 0.00 H new ATOM 0 HG LEU A 94 12.468 10.748 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.073 11.034 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.724 9.382 -3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 94 10.025 9.703 -3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 94 10.583 12.338 -1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.518 11.056 -1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 94 10.881 11.637 -0.140 1.00 0.00 H new