USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 598 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 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -82:sc= 0.849 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc=-0.00696 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -154:sc= 0.212 (180deg=0.069) USER MOD Single : A 44 GLN : amide:sc=-0.00578 X(o=-0.0058,f=-0.056) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.321 X(o=-0.32,f=0.079) USER MOD Single : A 48 SER OG : rot 95:sc= 0.207 USER MOD Single : A 50 THR OG1 : rot -19:sc= -2.91! USER MOD Single : A 56 MET CE :methyl 155:sc= 0 (180deg=-0.000557) USER MOD Single : A 57 GLN : amide:sc= -0.217 K(o=-0.22,f=-2) USER MOD Single : A 58 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0187) USER MOD Single : A 60 MET CE :methyl 135:sc= -0.402 (180deg=-2.27!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0.524 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 144:sc= -0.0519 (180deg=-2.17!) USER MOD ----------------------------------------------------------------- ATOM 154 N GLU A 16 12.232 8.248 -9.588 1.00 0.00 N ATOM 155 CA GLU A 16 11.351 7.128 -9.872 1.00 0.00 C ATOM 156 C GLU A 16 10.581 6.725 -8.613 1.00 0.00 C ATOM 157 O GLU A 16 11.142 6.702 -7.519 1.00 0.00 O ATOM 158 CB GLU A 16 12.137 5.942 -10.437 1.00 0.00 C ATOM 159 CG GLU A 16 11.624 5.557 -11.826 1.00 0.00 C ATOM 160 CD GLU A 16 12.217 6.468 -12.902 1.00 0.00 C ATOM 161 OE1 GLU A 16 12.222 7.696 -12.666 1.00 0.00 O ATOM 162 OE2 GLU A 16 12.652 5.917 -13.936 1.00 0.00 O ATOM 0 HA GLU A 16 10.632 7.440 -10.629 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.195 6.196 -10.494 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.050 5.089 -9.764 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.884 4.520 -12.039 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.536 5.624 -11.847 1.00 0.00 H new ATOM 169 N LEU A 17 9.308 6.417 -8.810 1.00 0.00 N ATOM 170 CA LEU A 17 8.455 6.016 -7.704 1.00 0.00 C ATOM 171 C LEU A 17 9.242 5.101 -6.764 1.00 0.00 C ATOM 172 O LEU A 17 10.186 4.435 -7.187 1.00 0.00 O ATOM 173 CB LEU A 17 7.158 5.394 -8.225 1.00 0.00 C ATOM 174 CG LEU A 17 6.354 6.245 -9.210 1.00 0.00 C ATOM 175 CD1 LEU A 17 6.464 7.732 -8.866 1.00 0.00 C ATOM 176 CD2 LEU A 17 6.774 5.959 -10.653 1.00 0.00 C ATOM 0 H LEU A 17 8.846 6.437 -9.719 1.00 0.00 H new ATOM 0 HA LEU A 17 8.152 6.886 -7.122 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.401 4.447 -8.708 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.521 5.163 -7.371 1.00 0.00 H new ATOM 0 HG LEU A 17 5.303 5.970 -9.120 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.884 8.315 -9.581 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.078 7.902 -7.861 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.509 8.039 -8.910 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.187 6.577 -11.332 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.832 6.189 -10.776 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.602 4.907 -10.880 1.00 0.00 H new ATOM 188 N VAL A 18 8.825 5.097 -5.507 1.00 0.00 N ATOM 189 CA VAL A 18 9.479 4.274 -4.504 1.00 0.00 C ATOM 190 C VAL A 18 8.828 2.890 -4.482 1.00 0.00 C ATOM 191 O VAL A 18 7.613 2.769 -4.629 1.00 0.00 O ATOM 192 CB VAL A 18 9.439 4.975 -3.144 1.00 0.00 C ATOM 193 CG1 VAL A 18 8.016 5.416 -2.797 1.00 0.00 C ATOM 194 CG2 VAL A 18 10.018 4.078 -2.048 1.00 0.00 C ATOM 0 H VAL A 18 8.042 5.651 -5.160 1.00 0.00 H new ATOM 0 HA VAL A 18 10.531 4.134 -4.752 1.00 0.00 H new ATOM 0 HB VAL A 18 10.060 5.868 -3.209 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.015 5.911 -1.826 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.654 6.108 -3.558 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.364 4.544 -2.760 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.978 4.600 -1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.436 3.159 -1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.054 3.835 -2.286 1.00 0.00 H new ATOM 204 N ASP A 19 9.666 1.880 -4.299 1.00 0.00 N ATOM 205 CA ASP A 19 9.187 0.508 -4.257 1.00 0.00 C ATOM 206 C ASP A 19 8.658 0.201 -2.854 1.00 0.00 C ATOM 207 O ASP A 19 9.383 0.338 -1.870 1.00 0.00 O ATOM 208 CB ASP A 19 10.315 -0.479 -4.564 1.00 0.00 C ATOM 209 CG ASP A 19 10.766 -0.511 -6.025 1.00 0.00 C ATOM 210 OD1 ASP A 19 11.556 0.385 -6.395 1.00 0.00 O ATOM 211 OD2 ASP A 19 10.311 -1.430 -6.739 1.00 0.00 O ATOM 0 H ASP A 19 10.673 1.984 -4.178 1.00 0.00 H new ATOM 0 HA ASP A 19 8.402 0.401 -5.005 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.174 -0.232 -3.940 1.00 0.00 H new ATOM 0 HB3 ASP A 19 9.990 -1.479 -4.278 1.00 0.00 H new ATOM 216 N LEU A 20 7.399 -0.209 -2.808 1.00 0.00 N ATOM 217 CA LEU A 20 6.765 -0.538 -1.543 1.00 0.00 C ATOM 218 C LEU A 20 6.082 -1.902 -1.658 1.00 0.00 C ATOM 219 O LEU A 20 5.523 -2.234 -2.703 1.00 0.00 O ATOM 220 CB LEU A 20 5.823 0.587 -1.108 1.00 0.00 C ATOM 221 CG LEU A 20 6.444 1.981 -1.007 1.00 0.00 C ATOM 222 CD1 LEU A 20 5.391 3.025 -0.629 1.00 0.00 C ATOM 223 CD2 LEU A 20 7.629 1.985 -0.039 1.00 0.00 C ATOM 0 H LEU A 20 6.801 -0.321 -3.627 1.00 0.00 H new ATOM 0 HA LEU A 20 7.512 -0.621 -0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.993 0.631 -1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.403 0.327 -0.136 1.00 0.00 H new ATOM 0 HG LEU A 20 6.830 2.255 -1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.859 4.007 -0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.610 3.045 -1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.953 2.767 0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.052 2.988 0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.291 1.681 0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.390 1.289 -0.392 1.00 0.00 H new ATOM 235 N LYS A 21 6.150 -2.656 -0.571 1.00 0.00 N ATOM 236 CA LYS A 21 5.546 -3.977 -0.537 1.00 0.00 C ATOM 237 C LYS A 21 4.190 -3.895 0.167 1.00 0.00 C ATOM 238 O LYS A 21 4.114 -3.499 1.330 1.00 0.00 O ATOM 239 CB LYS A 21 6.505 -4.990 0.091 1.00 0.00 C ATOM 240 CG LYS A 21 7.075 -5.936 -0.968 1.00 0.00 C ATOM 241 CD LYS A 21 8.530 -6.292 -0.659 1.00 0.00 C ATOM 242 CE LYS A 21 9.306 -6.592 -1.943 1.00 0.00 C ATOM 243 NZ LYS A 21 10.037 -7.873 -1.820 1.00 0.00 N ATOM 0 H LYS A 21 6.614 -2.377 0.293 1.00 0.00 H new ATOM 0 HA LYS A 21 5.359 -4.336 -1.549 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.319 -4.464 0.590 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.982 -5.566 0.855 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.475 -6.845 -1.009 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.012 -5.468 -1.950 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.005 -5.467 -0.127 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.564 -7.159 0.001 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.619 -6.638 -2.788 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.008 -5.784 -2.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.558 -8.061 -2.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.707 -7.816 -1.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.360 -8.644 -1.647 1.00 0.00 H new ATOM 257 N ILE A 22 3.154 -4.275 -0.565 1.00 0.00 N ATOM 258 CA ILE A 22 1.805 -4.249 -0.025 1.00 0.00 C ATOM 259 C ILE A 22 1.579 -5.498 0.830 1.00 0.00 C ATOM 260 O ILE A 22 1.126 -6.525 0.327 1.00 0.00 O ATOM 261 CB ILE A 22 0.781 -4.079 -1.149 1.00 0.00 C ATOM 262 CG1 ILE A 22 1.202 -2.967 -2.111 1.00 0.00 C ATOM 263 CG2 ILE A 22 -0.621 -3.847 -0.582 1.00 0.00 C ATOM 264 CD1 ILE A 22 0.827 -1.591 -1.557 1.00 0.00 C ATOM 0 H ILE A 22 3.221 -4.603 -1.528 1.00 0.00 H new ATOM 0 HA ILE A 22 1.672 -3.387 0.628 1.00 0.00 H new ATOM 0 HB ILE A 22 0.747 -5.005 -1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.278 -3.014 -2.279 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.722 -3.117 -3.078 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.330 -3.729 -1.401 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.912 -4.701 0.030 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.621 -2.945 0.030 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.138 -0.819 -2.261 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.252 -1.538 -1.413 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.328 -1.434 -0.602 1.00 0.00 H new ATOM 276 N ILE A 23 1.905 -5.368 2.107 1.00 0.00 N ATOM 277 CA ILE A 23 1.743 -6.473 3.037 1.00 0.00 C ATOM 278 C ILE A 23 0.286 -6.536 3.499 1.00 0.00 C ATOM 279 O ILE A 23 -0.237 -5.567 4.046 1.00 0.00 O ATOM 280 CB ILE A 23 2.749 -6.360 4.185 1.00 0.00 C ATOM 281 CG1 ILE A 23 4.171 -6.178 3.652 1.00 0.00 C ATOM 282 CG2 ILE A 23 2.640 -7.558 5.129 1.00 0.00 C ATOM 283 CD1 ILE A 23 4.651 -7.437 2.928 1.00 0.00 C ATOM 0 H ILE A 23 2.281 -4.514 2.520 1.00 0.00 H new ATOM 0 HA ILE A 23 1.962 -7.420 2.545 1.00 0.00 H new ATOM 0 HB ILE A 23 2.506 -5.470 4.765 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.201 -5.328 2.970 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.846 -5.949 4.477 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.366 -7.453 5.936 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.635 -7.601 5.548 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.842 -8.476 4.577 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.665 -7.280 2.559 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.643 -8.280 3.619 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.988 -7.649 2.089 1.00 0.00 H new ATOM 295 N TRP A 24 -0.328 -7.686 3.262 1.00 0.00 N ATOM 296 CA TRP A 24 -1.714 -7.887 3.648 1.00 0.00 C ATOM 297 C TRP A 24 -1.945 -9.391 3.813 1.00 0.00 C ATOM 298 O TRP A 24 -2.016 -10.124 2.828 1.00 0.00 O ATOM 299 CB TRP A 24 -2.664 -7.245 2.635 1.00 0.00 C ATOM 300 CG TRP A 24 -4.131 -7.247 3.069 1.00 0.00 C ATOM 301 CD1 TRP A 24 -4.626 -7.419 4.302 1.00 0.00 C ATOM 302 CD2 TRP A 24 -5.280 -7.061 2.216 1.00 0.00 C ATOM 303 NE1 TRP A 24 -6.005 -7.357 4.307 1.00 0.00 N ATOM 304 CE2 TRP A 24 -6.415 -7.133 2.998 1.00 0.00 C ATOM 305 CE3 TRP A 24 -5.358 -6.839 0.830 1.00 0.00 C ATOM 306 CZ2 TRP A 24 -7.710 -6.993 2.484 1.00 0.00 C ATOM 307 CZ3 TRP A 24 -6.659 -6.702 0.332 1.00 0.00 C ATOM 308 CH2 TRP A 24 -7.812 -6.772 1.105 1.00 0.00 C ATOM 0 H TRP A 24 0.109 -8.488 2.808 1.00 0.00 H new ATOM 0 HA TRP A 24 -1.925 -7.395 4.598 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -2.349 -6.216 2.459 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.576 -7.772 1.685 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -4.022 -7.585 5.182 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -6.611 -7.457 5.121 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.483 -6.779 0.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -8.583 -7.052 3.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.775 -6.530 -0.728 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -8.782 -6.656 0.644 1.00 0.00 H new ATOM 319 N ASN A 25 -2.055 -9.806 5.067 1.00 0.00 N ATOM 320 CA ASN A 25 -2.277 -11.209 5.374 1.00 0.00 C ATOM 321 C ASN A 25 -0.999 -11.998 5.083 1.00 0.00 C ATOM 322 O ASN A 25 -0.367 -12.523 5.998 1.00 0.00 O ATOM 323 CB ASN A 25 -3.399 -11.791 4.512 1.00 0.00 C ATOM 324 CG ASN A 25 -4.475 -12.443 5.381 1.00 0.00 C ATOM 325 OD1 ASN A 25 -4.357 -13.577 5.814 1.00 0.00 O ATOM 326 ND2 ASN A 25 -5.530 -11.666 5.610 1.00 0.00 N ATOM 0 H ASN A 25 -1.995 -9.195 5.882 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.555 -11.284 6.425 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.844 -11.001 3.907 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.988 -12.528 3.822 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.304 -12.011 6.178 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.565 -10.725 5.217 1.00 0.00 H new ATOM 333 N LYS A 26 -0.656 -12.057 3.804 1.00 0.00 N ATOM 334 CA LYS A 26 0.535 -12.773 3.381 1.00 0.00 C ATOM 335 C LYS A 26 0.738 -12.573 1.878 1.00 0.00 C ATOM 336 O LYS A 26 1.137 -13.499 1.173 1.00 0.00 O ATOM 337 CB LYS A 26 0.454 -14.242 3.800 1.00 0.00 C ATOM 338 CG LYS A 26 -0.925 -14.826 3.488 1.00 0.00 C ATOM 339 CD LYS A 26 -1.019 -16.284 3.942 1.00 0.00 C ATOM 340 CE LYS A 26 -2.071 -17.045 3.132 1.00 0.00 C ATOM 341 NZ LYS A 26 -2.971 -17.800 4.031 1.00 0.00 N ATOM 0 H LYS A 26 -1.182 -11.620 3.047 1.00 0.00 H new ATOM 0 HA LYS A 26 1.418 -12.372 3.879 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.222 -14.815 3.280 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.658 -14.331 4.867 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.695 -14.236 3.986 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.117 -14.762 2.417 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.048 -16.767 3.829 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.273 -16.323 5.001 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.651 -16.345 2.530 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.580 -17.730 2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.679 -18.311 3.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.415 -18.481 4.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.453 -17.140 4.674 1.00 0.00 H new ATOM 355 N THR A 27 0.455 -11.358 1.431 1.00 0.00 N ATOM 356 CA THR A 27 0.602 -11.024 0.025 1.00 0.00 C ATOM 357 C THR A 27 1.716 -9.993 -0.165 1.00 0.00 C ATOM 358 O THR A 27 2.042 -9.249 0.758 1.00 0.00 O ATOM 359 CB THR A 27 -0.758 -10.552 -0.493 1.00 0.00 C ATOM 360 OG1 THR A 27 -1.274 -9.750 0.565 1.00 0.00 O ATOM 361 CG2 THR A 27 -1.766 -11.696 -0.619 1.00 0.00 C ATOM 0 H THR A 27 0.124 -10.593 2.019 1.00 0.00 H new ATOM 0 HA THR A 27 0.905 -11.893 -0.559 1.00 0.00 H new ATOM 0 HB THR A 27 -0.630 -10.073 -1.464 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.690 -10.327 1.240 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.714 -11.307 -0.990 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.383 -12.443 -1.314 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.920 -12.154 0.358 1.00 0.00 H new ATOM 369 N LYS A 28 2.269 -9.982 -1.369 1.00 0.00 N ATOM 370 CA LYS A 28 3.340 -9.055 -1.692 1.00 0.00 C ATOM 371 C LYS A 28 3.109 -8.484 -3.093 1.00 0.00 C ATOM 372 O LYS A 28 3.478 -9.105 -4.088 1.00 0.00 O ATOM 373 CB LYS A 28 4.703 -9.729 -1.520 1.00 0.00 C ATOM 374 CG LYS A 28 4.806 -10.986 -2.385 1.00 0.00 C ATOM 375 CD LYS A 28 6.148 -11.039 -3.119 1.00 0.00 C ATOM 376 CE LYS A 28 6.116 -10.175 -4.381 1.00 0.00 C ATOM 377 NZ LYS A 28 7.311 -10.433 -5.215 1.00 0.00 N ATOM 0 H LYS A 28 1.995 -10.600 -2.133 1.00 0.00 H new ATOM 0 HA LYS A 28 3.337 -8.213 -0.999 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.495 -9.031 -1.791 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.854 -9.991 -0.473 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.694 -11.872 -1.760 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.991 -11.002 -3.109 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.942 -10.694 -2.457 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.381 -12.070 -3.385 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.213 -10.389 -4.953 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.077 -9.121 -4.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.274 -9.839 -6.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.169 -10.207 -4.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.331 -11.435 -5.492 1.00 0.00 H new ATOM 391 N HIS A 29 2.501 -7.308 -3.125 1.00 0.00 N ATOM 392 CA HIS A 29 2.216 -6.646 -4.387 1.00 0.00 C ATOM 393 C HIS A 29 3.183 -5.477 -4.582 1.00 0.00 C ATOM 394 O HIS A 29 3.080 -4.460 -3.898 1.00 0.00 O ATOM 395 CB HIS A 29 0.749 -6.220 -4.458 1.00 0.00 C ATOM 396 CG HIS A 29 -0.229 -7.367 -4.365 1.00 0.00 C ATOM 397 ND1 HIS A 29 -0.111 -8.517 -5.126 1.00 0.00 N ATOM 398 CD2 HIS A 29 -1.342 -7.529 -3.593 1.00 0.00 C ATOM 399 CE1 HIS A 29 -1.113 -9.327 -4.818 1.00 0.00 C ATOM 400 NE2 HIS A 29 -1.875 -8.713 -3.868 1.00 0.00 N ATOM 0 H HIS A 29 2.197 -6.796 -2.297 1.00 0.00 H new ATOM 0 HA HIS A 29 2.371 -7.343 -5.211 1.00 0.00 H new ATOM 0 HB2 HIS A 29 0.546 -5.517 -3.650 1.00 0.00 H new ATOM 0 HB3 HIS A 29 0.581 -5.688 -5.394 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.725 -6.815 -2.879 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.295 -10.302 -5.244 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -2.716 -9.100 -3.440 1.00 0.00 H new ATOM 408 N ASP A 30 4.101 -5.661 -5.520 1.00 0.00 N ATOM 409 CA ASP A 30 5.086 -4.634 -5.814 1.00 0.00 C ATOM 410 C ASP A 30 4.410 -3.486 -6.566 1.00 0.00 C ATOM 411 O ASP A 30 4.010 -3.644 -7.718 1.00 0.00 O ATOM 412 CB ASP A 30 6.207 -5.183 -6.699 1.00 0.00 C ATOM 413 CG ASP A 30 6.957 -6.385 -6.122 1.00 0.00 C ATOM 414 OD1 ASP A 30 6.428 -7.508 -6.268 1.00 0.00 O ATOM 415 OD2 ASP A 30 8.042 -6.153 -5.546 1.00 0.00 O ATOM 0 H ASP A 30 4.183 -6.506 -6.086 1.00 0.00 H new ATOM 0 HA ASP A 30 5.508 -4.291 -4.869 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.783 -5.467 -7.662 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.924 -4.384 -6.889 1.00 0.00 H new ATOM 420 N VAL A 31 4.303 -2.355 -5.883 1.00 0.00 N ATOM 421 CA VAL A 31 3.683 -1.181 -6.472 1.00 0.00 C ATOM 422 C VAL A 31 4.670 -0.013 -6.432 1.00 0.00 C ATOM 423 O VAL A 31 5.402 0.153 -5.457 1.00 0.00 O ATOM 424 CB VAL A 31 2.364 -0.873 -5.759 1.00 0.00 C ATOM 425 CG1 VAL A 31 1.311 -1.939 -6.070 1.00 0.00 C ATOM 426 CG2 VAL A 31 2.576 -0.735 -4.250 1.00 0.00 C ATOM 0 H VAL A 31 4.636 -2.227 -4.927 1.00 0.00 H new ATOM 0 HA VAL A 31 3.438 -1.363 -7.518 1.00 0.00 H new ATOM 0 HB VAL A 31 1.995 0.082 -6.134 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.384 -1.697 -5.551 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.129 -1.968 -7.144 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.669 -2.913 -5.736 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.624 -0.516 -3.767 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.979 -1.667 -3.852 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.277 0.076 -4.054 1.00 0.00 H new ATOM 436 N LYS A 32 4.660 0.766 -7.503 1.00 0.00 N ATOM 437 CA LYS A 32 5.545 1.914 -7.603 1.00 0.00 C ATOM 438 C LYS A 32 4.745 3.193 -7.353 1.00 0.00 C ATOM 439 O LYS A 32 3.897 3.568 -8.161 1.00 0.00 O ATOM 440 CB LYS A 32 6.287 1.904 -8.941 1.00 0.00 C ATOM 441 CG LYS A 32 5.528 2.714 -9.994 1.00 0.00 C ATOM 442 CD LYS A 32 6.087 2.454 -11.394 1.00 0.00 C ATOM 443 CE LYS A 32 5.034 2.738 -12.467 1.00 0.00 C ATOM 444 NZ LYS A 32 5.484 2.231 -13.783 1.00 0.00 N ATOM 0 H LYS A 32 4.052 0.625 -8.310 1.00 0.00 H new ATOM 0 HA LYS A 32 6.318 1.867 -6.836 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.287 2.318 -8.810 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.410 0.877 -9.285 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.470 2.452 -9.967 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.599 3.777 -9.762 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.962 3.082 -11.563 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.419 1.419 -11.470 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.090 2.266 -12.192 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.849 3.810 -12.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.757 2.432 -14.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.373 2.700 -14.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.638 1.204 -13.725 1.00 0.00 H new ATOM 458 N VAL A 33 5.043 3.829 -6.229 1.00 0.00 N ATOM 459 CA VAL A 33 4.362 5.059 -5.862 1.00 0.00 C ATOM 460 C VAL A 33 5.399 6.116 -5.479 1.00 0.00 C ATOM 461 O VAL A 33 6.480 5.784 -4.995 1.00 0.00 O ATOM 462 CB VAL A 33 3.349 4.784 -4.749 1.00 0.00 C ATOM 463 CG1 VAL A 33 2.489 3.563 -5.080 1.00 0.00 C ATOM 464 CG2 VAL A 33 4.050 4.612 -3.400 1.00 0.00 C ATOM 0 H VAL A 33 5.747 3.515 -5.561 1.00 0.00 H new ATOM 0 HA VAL A 33 3.797 5.450 -6.708 1.00 0.00 H new ATOM 0 HB VAL A 33 2.689 5.648 -4.675 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.777 3.390 -4.273 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.947 3.740 -6.009 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.128 2.688 -5.194 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.307 4.418 -2.626 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.745 3.774 -3.455 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.598 5.522 -3.156 1.00 0.00 H new ATOM 474 N PRO A 34 5.024 7.402 -5.714 1.00 0.00 N ATOM 475 CA PRO A 34 5.909 8.510 -5.399 1.00 0.00 C ATOM 476 C PRO A 34 5.954 8.764 -3.891 1.00 0.00 C ATOM 477 O PRO A 34 5.095 8.286 -3.151 1.00 0.00 O ATOM 478 CB PRO A 34 5.358 9.690 -6.183 1.00 0.00 C ATOM 479 CG PRO A 34 3.926 9.322 -6.538 1.00 0.00 C ATOM 480 CD PRO A 34 3.751 7.833 -6.285 1.00 0.00 C ATOM 0 HA PRO A 34 6.944 8.313 -5.677 1.00 0.00 H new ATOM 0 HB2 PRO A 34 5.391 10.603 -5.589 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.949 9.872 -7.081 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.223 9.897 -5.935 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.718 9.559 -7.581 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.925 7.642 -5.600 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.530 7.298 -7.208 1.00 0.00 H new ATOM 488 N LEU A 35 6.965 9.515 -3.479 1.00 0.00 N ATOM 489 CA LEU A 35 7.134 9.838 -2.073 1.00 0.00 C ATOM 490 C LEU A 35 6.391 11.138 -1.760 1.00 0.00 C ATOM 491 O LEU A 35 6.644 11.770 -0.735 1.00 0.00 O ATOM 492 CB LEU A 35 8.619 9.874 -1.706 1.00 0.00 C ATOM 493 CG LEU A 35 9.014 9.119 -0.435 1.00 0.00 C ATOM 494 CD1 LEU A 35 8.612 7.646 -0.525 1.00 0.00 C ATOM 495 CD2 LEU A 35 10.505 9.289 -0.138 1.00 0.00 C ATOM 0 H LEU A 35 7.676 9.909 -4.095 1.00 0.00 H new ATOM 0 HA LEU A 35 6.694 9.061 -1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.189 9.465 -2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.920 10.916 -1.595 1.00 0.00 H new ATOM 0 HG LEU A 35 8.467 9.551 0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.904 7.132 0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.532 7.571 -0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.113 7.184 -1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.760 8.743 0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.089 8.899 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.730 10.347 -0.000 1.00 0.00 H new ATOM 507 N ASP A 36 5.489 11.499 -2.661 1.00 0.00 N ATOM 508 CA ASP A 36 4.708 12.712 -2.493 1.00 0.00 C ATOM 509 C ASP A 36 3.307 12.347 -1.997 1.00 0.00 C ATOM 510 O ASP A 36 2.527 13.225 -1.630 1.00 0.00 O ATOM 511 CB ASP A 36 4.559 13.459 -3.820 1.00 0.00 C ATOM 512 CG ASP A 36 4.304 14.962 -3.691 1.00 0.00 C ATOM 513 OD1 ASP A 36 5.117 15.619 -3.006 1.00 0.00 O ATOM 514 OD2 ASP A 36 3.301 15.420 -4.281 1.00 0.00 O ATOM 0 H ASP A 36 5.282 10.972 -3.510 1.00 0.00 H new ATOM 0 HA ASP A 36 5.225 13.349 -1.776 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.464 13.309 -4.408 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.737 13.013 -4.380 1.00 0.00 H new ATOM 519 N SER A 37 3.031 11.052 -2.002 1.00 0.00 N ATOM 520 CA SER A 37 1.738 10.560 -1.557 1.00 0.00 C ATOM 521 C SER A 37 1.564 10.825 -0.060 1.00 0.00 C ATOM 522 O SER A 37 2.385 10.395 0.749 1.00 0.00 O ATOM 523 CB SER A 37 1.585 9.067 -1.853 1.00 0.00 C ATOM 524 OG SER A 37 1.036 8.833 -3.147 1.00 0.00 O ATOM 0 H SER A 37 3.681 10.327 -2.307 1.00 0.00 H new ATOM 0 HA SER A 37 0.962 11.093 -2.106 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.558 8.581 -1.779 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.943 8.612 -1.099 1.00 0.00 H new ATOM 0 HG SER A 37 0.956 7.868 -3.299 1.00 0.00 H new ATOM 530 N THR A 38 0.491 11.531 0.262 1.00 0.00 N ATOM 531 CA THR A 38 0.199 11.859 1.648 1.00 0.00 C ATOM 532 C THR A 38 -0.255 10.610 2.406 1.00 0.00 C ATOM 533 O THR A 38 -0.942 9.756 1.848 1.00 0.00 O ATOM 534 CB THR A 38 -0.834 12.987 1.659 1.00 0.00 C ATOM 535 OG1 THR A 38 -1.973 12.422 1.015 1.00 0.00 O ATOM 536 CG2 THR A 38 -0.436 14.155 0.755 1.00 0.00 C ATOM 0 H THR A 38 -0.187 11.885 -0.412 1.00 0.00 H new ATOM 0 HA THR A 38 1.090 12.211 2.168 1.00 0.00 H new ATOM 0 HB THR A 38 -0.967 13.347 2.679 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.693 13.086 0.981 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.203 14.928 0.800 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.515 14.568 1.092 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.335 13.803 -0.272 1.00 0.00 H new ATOM 544 N GLY A 39 0.146 10.545 3.667 1.00 0.00 N ATOM 545 CA GLY A 39 -0.211 9.415 4.508 1.00 0.00 C ATOM 546 C GLY A 39 -1.699 9.082 4.377 1.00 0.00 C ATOM 547 O GLY A 39 -2.107 7.945 4.606 1.00 0.00 O ATOM 0 H GLY A 39 0.715 11.256 4.127 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.386 8.547 4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.024 9.642 5.548 1.00 0.00 H new ATOM 551 N SER A 40 -2.469 10.096 4.007 1.00 0.00 N ATOM 552 CA SER A 40 -3.902 9.925 3.843 1.00 0.00 C ATOM 553 C SER A 40 -4.199 9.272 2.492 1.00 0.00 C ATOM 554 O SER A 40 -5.108 8.450 2.382 1.00 0.00 O ATOM 555 CB SER A 40 -4.633 11.265 3.956 1.00 0.00 C ATOM 556 OG SER A 40 -6.024 11.139 3.676 1.00 0.00 O ATOM 0 H SER A 40 -2.127 11.038 3.816 1.00 0.00 H new ATOM 0 HA SER A 40 -4.263 9.276 4.641 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.500 11.667 4.960 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.187 11.981 3.265 1.00 0.00 H new ATOM 0 HG SER A 40 -6.455 12.015 3.760 1.00 0.00 H new ATOM 562 N GLU A 41 -3.416 9.661 1.496 1.00 0.00 N ATOM 563 CA GLU A 41 -3.584 9.123 0.157 1.00 0.00 C ATOM 564 C GLU A 41 -3.238 7.633 0.136 1.00 0.00 C ATOM 565 O GLU A 41 -3.801 6.872 -0.649 1.00 0.00 O ATOM 566 CB GLU A 41 -2.737 9.897 -0.855 1.00 0.00 C ATOM 567 CG GLU A 41 -3.552 11.009 -1.516 1.00 0.00 C ATOM 568 CD GLU A 41 -3.009 11.334 -2.910 1.00 0.00 C ATOM 569 OE1 GLU A 41 -2.039 12.119 -2.971 1.00 0.00 O ATOM 570 OE2 GLU A 41 -3.575 10.788 -3.881 1.00 0.00 O ATOM 0 H GLU A 41 -2.663 10.343 1.590 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.629 9.237 -0.131 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.869 10.326 -0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.361 9.215 -1.617 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.596 10.704 -1.591 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.525 11.904 -0.894 1.00 0.00 H new ATOM 577 N LEU A 42 -2.314 7.261 1.009 1.00 0.00 N ATOM 578 CA LEU A 42 -1.886 5.875 1.101 1.00 0.00 C ATOM 579 C LEU A 42 -3.108 4.960 0.991 1.00 0.00 C ATOM 580 O LEU A 42 -3.091 3.984 0.243 1.00 0.00 O ATOM 581 CB LEU A 42 -1.063 5.651 2.371 1.00 0.00 C ATOM 582 CG LEU A 42 0.457 5.681 2.199 1.00 0.00 C ATOM 583 CD1 LEU A 42 1.149 6.084 3.503 1.00 0.00 C ATOM 584 CD2 LEU A 42 0.975 4.344 1.665 1.00 0.00 C ATOM 0 H LEU A 42 -1.849 7.895 1.659 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.224 5.625 0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.341 6.412 3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.342 4.687 2.795 1.00 0.00 H new ATOM 0 HG LEU A 42 0.701 6.441 1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.229 6.097 3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.812 7.076 3.802 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.900 5.366 4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.058 4.392 1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.718 3.549 2.365 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.518 4.137 0.697 1.00 0.00 H new ATOM 596 N LYS A 43 -4.138 5.309 1.748 1.00 0.00 N ATOM 597 CA LYS A 43 -5.366 4.532 1.745 1.00 0.00 C ATOM 598 C LYS A 43 -5.743 4.188 0.302 1.00 0.00 C ATOM 599 O LYS A 43 -5.720 3.022 -0.088 1.00 0.00 O ATOM 600 CB LYS A 43 -6.467 5.268 2.510 1.00 0.00 C ATOM 601 CG LYS A 43 -6.161 5.308 4.008 1.00 0.00 C ATOM 602 CD LYS A 43 -6.545 3.989 4.682 1.00 0.00 C ATOM 603 CE LYS A 43 -6.605 4.148 6.203 1.00 0.00 C ATOM 604 NZ LYS A 43 -7.866 4.811 6.605 1.00 0.00 N ATOM 0 H LYS A 43 -4.147 6.119 2.367 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.221 3.588 2.271 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.563 6.284 2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.424 4.773 2.344 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.100 5.503 4.161 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.706 6.130 4.472 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.513 3.654 4.309 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.819 3.219 4.422 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.533 3.171 6.680 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.753 4.734 6.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.727 5.300 7.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.142 5.501 5.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.616 4.098 6.708 1.00 0.00 H new ATOM 618 N GLN A 44 -6.081 5.225 -0.450 1.00 0.00 N ATOM 619 CA GLN A 44 -6.463 5.047 -1.841 1.00 0.00 C ATOM 620 C GLN A 44 -5.334 4.367 -2.618 1.00 0.00 C ATOM 621 O GLN A 44 -5.574 3.747 -3.653 1.00 0.00 O ATOM 622 CB GLN A 44 -6.841 6.384 -2.481 1.00 0.00 C ATOM 623 CG GLN A 44 -8.353 6.480 -2.697 1.00 0.00 C ATOM 624 CD GLN A 44 -8.681 6.758 -4.165 1.00 0.00 C ATOM 625 OE1 GLN A 44 -8.155 7.669 -4.783 1.00 0.00 O ATOM 626 NE2 GLN A 44 -9.577 5.925 -4.687 1.00 0.00 N ATOM 0 H GLN A 44 -6.098 6.191 -0.123 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.342 4.403 -1.877 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.508 7.203 -1.844 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.326 6.493 -3.435 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.828 5.550 -2.384 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.763 7.273 -2.072 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.978 5.183 -4.114 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.863 6.028 -5.661 1.00 0.00 H new ATOM 635 N LYS A 45 -4.127 4.506 -2.090 1.00 0.00 N ATOM 636 CA LYS A 45 -2.960 3.913 -2.721 1.00 0.00 C ATOM 637 C LYS A 45 -2.961 2.404 -2.469 1.00 0.00 C ATOM 638 O LYS A 45 -2.446 1.636 -3.280 1.00 0.00 O ATOM 639 CB LYS A 45 -1.683 4.615 -2.253 1.00 0.00 C ATOM 640 CG LYS A 45 -0.867 5.120 -3.445 1.00 0.00 C ATOM 641 CD LYS A 45 -1.721 5.999 -4.361 1.00 0.00 C ATOM 642 CE LYS A 45 -1.821 5.396 -5.763 1.00 0.00 C ATOM 643 NZ LYS A 45 -0.728 5.901 -6.624 1.00 0.00 N ATOM 0 H LYS A 45 -3.932 5.021 -1.232 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.997 4.056 -3.801 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.941 5.452 -1.603 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.081 3.926 -1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.008 5.688 -3.088 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.477 4.272 -4.009 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.719 6.110 -3.937 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.287 6.997 -4.421 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.771 4.309 -5.702 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.785 5.646 -6.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.811 5.482 -7.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.793 6.936 -6.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.189 5.640 -6.209 1.00 0.00 H new ATOM 657 N ILE A 46 -3.545 2.025 -1.342 1.00 0.00 N ATOM 658 CA ILE A 46 -3.619 0.622 -0.972 1.00 0.00 C ATOM 659 C ILE A 46 -4.933 0.032 -1.489 1.00 0.00 C ATOM 660 O ILE A 46 -4.937 -1.024 -2.120 1.00 0.00 O ATOM 661 CB ILE A 46 -3.420 0.453 0.535 1.00 0.00 C ATOM 662 CG1 ILE A 46 -2.220 1.267 1.024 1.00 0.00 C ATOM 663 CG2 ILE A 46 -3.301 -1.025 0.910 1.00 0.00 C ATOM 664 CD1 ILE A 46 -2.486 1.855 2.412 1.00 0.00 C ATOM 0 H ILE A 46 -3.972 2.666 -0.673 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.810 0.061 -1.441 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.302 0.844 1.042 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.335 0.632 1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.009 2.071 0.319 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.160 -1.117 1.987 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.211 -1.549 0.617 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.447 -1.464 0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.618 2.429 2.737 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.358 2.508 2.370 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.672 1.047 3.120 1.00 0.00 H new ATOM 676 N HIS A 47 -6.015 0.740 -1.202 1.00 0.00 N ATOM 677 CA HIS A 47 -7.332 0.299 -1.630 1.00 0.00 C ATOM 678 C HIS A 47 -7.320 0.032 -3.137 1.00 0.00 C ATOM 679 O HIS A 47 -7.931 -0.926 -3.606 1.00 0.00 O ATOM 680 CB HIS A 47 -8.404 1.309 -1.216 1.00 0.00 C ATOM 681 CG HIS A 47 -9.579 1.381 -2.162 1.00 0.00 C ATOM 682 ND1 HIS A 47 -9.700 2.360 -3.133 1.00 0.00 N ATOM 683 CD2 HIS A 47 -10.681 0.586 -2.276 1.00 0.00 C ATOM 684 CE1 HIS A 47 -10.829 2.154 -3.795 1.00 0.00 C ATOM 685 NE2 HIS A 47 -11.436 1.055 -3.262 1.00 0.00 N ATOM 0 H HIS A 47 -6.007 1.615 -0.679 1.00 0.00 H new ATOM 0 HA HIS A 47 -7.585 -0.637 -1.132 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -8.767 1.051 -0.221 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -7.949 2.297 -1.143 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -10.902 -0.278 -1.667 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -11.203 2.752 -4.613 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -12.324 0.659 -3.570 1.00 0.00 H new ATOM 693 N SER A 48 -6.617 0.898 -3.853 1.00 0.00 N ATOM 694 CA SER A 48 -6.517 0.768 -5.296 1.00 0.00 C ATOM 695 C SER A 48 -5.966 -0.612 -5.661 1.00 0.00 C ATOM 696 O SER A 48 -6.107 -1.061 -6.797 1.00 0.00 O ATOM 697 CB SER A 48 -5.632 1.866 -5.888 1.00 0.00 C ATOM 698 OG SER A 48 -6.394 2.984 -6.335 1.00 0.00 O ATOM 0 H SER A 48 -6.112 1.692 -3.460 1.00 0.00 H new ATOM 0 HA SER A 48 -7.516 0.877 -5.719 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.912 2.195 -5.138 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.060 1.460 -6.723 1.00 0.00 H new ATOM 0 HG SER A 48 -6.421 3.664 -5.630 1.00 0.00 H new ATOM 704 N ILE A 49 -5.348 -1.246 -4.675 1.00 0.00 N ATOM 705 CA ILE A 49 -4.775 -2.566 -4.877 1.00 0.00 C ATOM 706 C ILE A 49 -5.543 -3.586 -4.034 1.00 0.00 C ATOM 707 O ILE A 49 -6.124 -4.529 -4.570 1.00 0.00 O ATOM 708 CB ILE A 49 -3.271 -2.545 -4.598 1.00 0.00 C ATOM 709 CG1 ILE A 49 -2.676 -1.168 -4.897 1.00 0.00 C ATOM 710 CG2 ILE A 49 -2.555 -3.658 -5.367 1.00 0.00 C ATOM 711 CD1 ILE A 49 -1.193 -1.118 -4.524 1.00 0.00 C ATOM 0 H ILE A 49 -5.232 -0.870 -3.734 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.879 -2.871 -5.918 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.119 -2.737 -3.536 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.796 -0.938 -5.956 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.220 -0.404 -4.341 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.487 -3.621 -5.151 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.953 -4.626 -5.062 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.714 -3.521 -6.437 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.795 -0.128 -4.747 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.078 -1.324 -3.460 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.648 -1.866 -5.099 1.00 0.00 H new ATOM 723 N THR A 50 -5.521 -3.363 -2.728 1.00 0.00 N ATOM 724 CA THR A 50 -6.208 -4.250 -1.805 1.00 0.00 C ATOM 725 C THR A 50 -7.684 -4.379 -2.189 1.00 0.00 C ATOM 726 O THR A 50 -8.291 -5.431 -1.990 1.00 0.00 O ATOM 727 CB THR A 50 -5.993 -3.717 -0.388 1.00 0.00 C ATOM 728 OG1 THR A 50 -6.286 -2.326 -0.491 1.00 0.00 O ATOM 729 CG2 THR A 50 -4.524 -3.758 0.037 1.00 0.00 C ATOM 0 H THR A 50 -5.038 -2.580 -2.287 1.00 0.00 H new ATOM 0 HA THR A 50 -5.803 -5.261 -1.852 1.00 0.00 H new ATOM 0 HB THR A 50 -6.590 -4.301 0.313 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.234 -2.049 -1.430 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.427 -3.369 1.050 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.165 -4.787 0.008 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.931 -3.148 -0.644 1.00 0.00 H new ATOM 737 N GLY A 51 -8.218 -3.295 -2.731 1.00 0.00 N ATOM 738 CA GLY A 51 -9.611 -3.274 -3.144 1.00 0.00 C ATOM 739 C GLY A 51 -10.543 -3.304 -1.930 1.00 0.00 C ATOM 740 O GLY A 51 -11.760 -3.400 -2.080 1.00 0.00 O ATOM 0 H GLY A 51 -7.711 -2.425 -2.894 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.806 -2.379 -3.734 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.817 -4.130 -3.786 1.00 0.00 H new ATOM 744 N LEU A 52 -9.936 -3.219 -0.756 1.00 0.00 N ATOM 745 CA LEU A 52 -10.696 -3.235 0.482 1.00 0.00 C ATOM 746 C LEU A 52 -10.974 -1.797 0.924 1.00 0.00 C ATOM 747 O LEU A 52 -10.382 -0.856 0.396 1.00 0.00 O ATOM 748 CB LEU A 52 -9.979 -4.076 1.541 1.00 0.00 C ATOM 749 CG LEU A 52 -9.185 -3.297 2.591 1.00 0.00 C ATOM 750 CD1 LEU A 52 -9.231 -4.003 3.948 1.00 0.00 C ATOM 751 CD2 LEU A 52 -7.750 -3.050 2.121 1.00 0.00 C ATOM 0 H LEU A 52 -8.926 -3.139 -0.636 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.663 -3.714 0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.721 -4.687 2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.299 -4.760 1.034 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.654 -2.321 2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.659 -3.429 4.677 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.266 -4.084 4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.801 -5.000 3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.207 -2.494 2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.255 -4.005 1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.764 -2.474 1.196 1.00 0.00 H new ATOM 763 N PRO A 53 -11.898 -1.667 1.913 1.00 0.00 N ATOM 764 CA PRO A 53 -12.261 -0.360 2.432 1.00 0.00 C ATOM 765 C PRO A 53 -11.161 0.195 3.340 1.00 0.00 C ATOM 766 O PRO A 53 -10.472 -0.563 4.020 1.00 0.00 O ATOM 767 CB PRO A 53 -13.578 -0.576 3.159 1.00 0.00 C ATOM 768 CG PRO A 53 -13.670 -2.071 3.419 1.00 0.00 C ATOM 769 CD PRO A 53 -12.619 -2.758 2.562 1.00 0.00 C ATOM 0 HA PRO A 53 -12.373 0.387 1.646 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -13.605 -0.015 4.093 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -14.418 -0.232 2.556 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -13.502 -2.286 4.474 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -14.665 -2.441 3.172 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -11.950 -3.368 3.169 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -13.078 -3.421 1.828 1.00 0.00 H new ATOM 777 N PRO A 54 -11.028 1.548 3.321 1.00 0.00 N ATOM 778 CA PRO A 54 -10.024 2.213 4.134 1.00 0.00 C ATOM 779 C PRO A 54 -10.440 2.240 5.606 1.00 0.00 C ATOM 780 O PRO A 54 -9.592 2.211 6.495 1.00 0.00 O ATOM 781 CB PRO A 54 -9.885 3.601 3.530 1.00 0.00 C ATOM 782 CG PRO A 54 -11.140 3.822 2.700 1.00 0.00 C ATOM 783 CD PRO A 54 -11.827 2.478 2.528 1.00 0.00 C ATOM 0 HA PRO A 54 -9.066 1.693 4.128 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.793 4.358 4.309 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.990 3.670 2.911 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.805 4.530 3.194 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.886 4.248 1.729 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.858 2.513 2.879 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.857 2.180 1.480 1.00 0.00 H new ATOM 791 N ALA A 55 -11.747 2.296 5.817 1.00 0.00 N ATOM 792 CA ALA A 55 -12.287 2.327 7.166 1.00 0.00 C ATOM 793 C ALA A 55 -11.830 1.078 7.922 1.00 0.00 C ATOM 794 O ALA A 55 -11.659 1.113 9.140 1.00 0.00 O ATOM 795 CB ALA A 55 -13.811 2.447 7.104 1.00 0.00 C ATOM 0 H ALA A 55 -12.448 2.321 5.076 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.914 3.196 7.709 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.216 2.470 8.116 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.083 3.365 6.583 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.222 1.591 6.569 1.00 0.00 H new ATOM 801 N MET A 56 -11.645 0.004 7.169 1.00 0.00 N ATOM 802 CA MET A 56 -11.211 -1.254 7.753 1.00 0.00 C ATOM 803 C MET A 56 -9.767 -1.571 7.362 1.00 0.00 C ATOM 804 O MET A 56 -9.415 -2.733 7.162 1.00 0.00 O ATOM 805 CB MET A 56 -12.129 -2.381 7.277 1.00 0.00 C ATOM 806 CG MET A 56 -13.211 -2.683 8.316 1.00 0.00 C ATOM 807 SD MET A 56 -12.529 -3.666 9.640 1.00 0.00 S ATOM 808 CE MET A 56 -12.684 -5.296 8.930 1.00 0.00 C ATOM 0 H MET A 56 -11.788 -0.021 6.159 1.00 0.00 H new ATOM 0 HA MET A 56 -11.262 -1.166 8.838 1.00 0.00 H new ATOM 0 HB2 MET A 56 -12.595 -2.101 6.332 1.00 0.00 H new ATOM 0 HB3 MET A 56 -11.541 -3.279 7.088 1.00 0.00 H new ATOM 0 HG2 MET A 56 -13.614 -1.752 8.714 1.00 0.00 H new ATOM 0 HG3 MET A 56 -14.039 -3.214 7.847 1.00 0.00 H new ATOM 0 HE1 MET A 56 -11.944 -5.960 9.378 1.00 0.00 H new ATOM 0 HE2 MET A 56 -13.684 -5.684 9.124 1.00 0.00 H new ATOM 0 HE3 MET A 56 -12.518 -5.241 7.854 1.00 0.00 H new ATOM 818 N GLN A 57 -8.969 -0.518 7.263 1.00 0.00 N ATOM 819 CA GLN A 57 -7.571 -0.669 6.899 1.00 0.00 C ATOM 820 C GLN A 57 -6.674 -0.377 8.104 1.00 0.00 C ATOM 821 O GLN A 57 -7.067 0.355 9.011 1.00 0.00 O ATOM 822 CB GLN A 57 -7.211 0.232 5.716 1.00 0.00 C ATOM 823 CG GLN A 57 -7.256 -0.547 4.400 1.00 0.00 C ATOM 824 CD GLN A 57 -6.290 0.051 3.375 1.00 0.00 C ATOM 825 OE1 GLN A 57 -5.107 0.215 3.621 1.00 0.00 O ATOM 826 NE2 GLN A 57 -6.860 0.367 2.216 1.00 0.00 N ATOM 0 H GLN A 57 -9.265 0.444 7.429 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.406 -1.701 6.590 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.904 1.072 5.670 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.215 0.649 5.862 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.998 -1.590 4.582 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.270 -0.534 4.000 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.857 0.203 2.077 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.300 0.773 1.466 1.00 0.00 H new ATOM 835 N LYS A 58 -5.486 -0.962 8.073 1.00 0.00 N ATOM 836 CA LYS A 58 -4.530 -0.773 9.151 1.00 0.00 C ATOM 837 C LYS A 58 -3.197 -0.300 8.567 1.00 0.00 C ATOM 838 O LYS A 58 -2.353 -1.115 8.196 1.00 0.00 O ATOM 839 CB LYS A 58 -4.415 -2.045 9.994 1.00 0.00 C ATOM 840 CG LYS A 58 -5.354 -1.989 11.201 1.00 0.00 C ATOM 841 CD LYS A 58 -4.642 -2.455 12.472 1.00 0.00 C ATOM 842 CE LYS A 58 -4.927 -1.507 13.639 1.00 0.00 C ATOM 843 NZ LYS A 58 -4.189 -0.236 13.466 1.00 0.00 N ATOM 0 H LYS A 58 -5.163 -1.567 7.318 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.874 0.004 9.833 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.655 -2.914 9.382 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.387 -2.169 10.334 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.718 -0.970 11.336 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.226 -2.617 11.017 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.970 -3.462 12.729 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.568 -2.505 12.294 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.997 -1.308 13.700 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.636 -1.978 14.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.270 0.333 14.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.187 -0.439 13.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.591 0.293 12.666 1.00 0.00 H new ATOM 857 N VAL A 59 -3.048 1.015 8.504 1.00 0.00 N ATOM 858 CA VAL A 59 -1.832 1.606 7.973 1.00 0.00 C ATOM 859 C VAL A 59 -0.813 1.767 9.102 1.00 0.00 C ATOM 860 O VAL A 59 -0.890 2.714 9.883 1.00 0.00 O ATOM 861 CB VAL A 59 -2.157 2.925 7.268 1.00 0.00 C ATOM 862 CG1 VAL A 59 -1.036 3.322 6.305 1.00 0.00 C ATOM 863 CG2 VAL A 59 -3.500 2.842 6.540 1.00 0.00 C ATOM 0 H VAL A 59 -3.750 1.688 8.812 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.385 0.953 7.223 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.236 3.701 8.030 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.292 4.263 5.817 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.105 3.442 6.860 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.911 2.544 5.551 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.706 3.792 6.048 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.461 2.048 5.794 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.291 2.626 7.259 1.00 0.00 H new ATOM 873 N MET A 60 0.120 0.827 9.152 1.00 0.00 N ATOM 874 CA MET A 60 1.154 0.853 10.173 1.00 0.00 C ATOM 875 C MET A 60 2.446 0.214 9.660 1.00 0.00 C ATOM 876 O MET A 60 2.456 -0.954 9.275 1.00 0.00 O ATOM 877 CB MET A 60 0.668 0.098 11.411 1.00 0.00 C ATOM 878 CG MET A 60 0.138 1.067 12.471 1.00 0.00 C ATOM 879 SD MET A 60 0.073 0.257 14.060 1.00 0.00 S ATOM 880 CE MET A 60 1.811 -0.056 14.320 1.00 0.00 C ATOM 0 H MET A 60 0.181 0.043 8.502 1.00 0.00 H new ATOM 0 HA MET A 60 1.361 1.892 10.428 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.117 -0.603 11.129 1.00 0.00 H new ATOM 0 HB3 MET A 60 1.486 -0.490 11.827 1.00 0.00 H new ATOM 0 HG2 MET A 60 0.781 1.945 12.527 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.856 1.417 12.191 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.080 0.211 15.342 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.019 -1.113 14.155 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.397 0.542 13.622 1.00 0.00 H new ATOM 890 N TYR A 61 3.506 1.009 9.671 1.00 0.00 N ATOM 891 CA TYR A 61 4.801 0.536 9.212 1.00 0.00 C ATOM 892 C TYR A 61 5.881 0.783 10.268 1.00 0.00 C ATOM 893 O TYR A 61 6.378 1.900 10.403 1.00 0.00 O ATOM 894 CB TYR A 61 5.131 1.355 7.962 1.00 0.00 C ATOM 895 CG TYR A 61 6.622 1.400 7.623 1.00 0.00 C ATOM 896 CD1 TYR A 61 7.379 0.249 7.686 1.00 0.00 C ATOM 897 CD2 TYR A 61 7.210 2.594 7.255 1.00 0.00 C ATOM 898 CE1 TYR A 61 8.783 0.292 7.366 1.00 0.00 C ATOM 899 CE2 TYR A 61 8.613 2.637 6.936 1.00 0.00 C ATOM 900 CZ TYR A 61 9.330 1.484 7.008 1.00 0.00 C ATOM 901 OH TYR A 61 10.656 1.524 6.706 1.00 0.00 O ATOM 0 H TYR A 61 3.494 1.978 9.991 1.00 0.00 H new ATOM 0 HA TYR A 61 4.769 -0.535 9.014 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.588 0.938 7.113 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.770 2.374 8.102 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.919 -0.685 7.975 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.617 3.496 7.207 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.387 -0.602 7.410 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.085 3.564 6.646 1.00 0.00 H new ATOM 0 HH TYR A 61 10.910 2.440 6.467 1.00 0.00 H new ATOM 911 N LYS A 62 6.212 -0.279 10.988 1.00 0.00 N ATOM 912 CA LYS A 62 7.224 -0.192 12.028 1.00 0.00 C ATOM 913 C LYS A 62 6.964 1.050 12.883 1.00 0.00 C ATOM 914 O LYS A 62 7.888 1.600 13.482 1.00 0.00 O ATOM 915 CB LYS A 62 8.625 -0.235 11.416 1.00 0.00 C ATOM 916 CG LYS A 62 8.923 -1.615 10.825 1.00 0.00 C ATOM 917 CD LYS A 62 10.431 -1.841 10.694 1.00 0.00 C ATOM 918 CE LYS A 62 11.067 -2.101 12.061 1.00 0.00 C ATOM 919 NZ LYS A 62 12.525 -1.851 12.010 1.00 0.00 N ATOM 0 H LYS A 62 5.798 -1.204 10.872 1.00 0.00 H new ATOM 0 HA LYS A 62 7.164 -1.055 12.692 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.709 0.524 10.638 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.366 0.006 12.178 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.490 -2.388 11.460 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.452 -1.705 9.846 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.619 -2.688 10.034 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.894 -0.969 10.233 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.608 -1.457 12.811 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.879 -3.130 12.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.941 -2.032 12.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.961 -2.483 11.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.698 -0.862 11.740 1.00 0.00 H new ATOM 933 N GLY A 63 5.703 1.456 12.913 1.00 0.00 N ATOM 934 CA GLY A 63 5.311 2.623 13.685 1.00 0.00 C ATOM 935 C GLY A 63 4.090 3.306 13.064 1.00 0.00 C ATOM 936 O GLY A 63 3.852 3.187 11.864 1.00 0.00 O ATOM 0 H GLY A 63 4.940 0.998 12.415 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.085 2.327 14.709 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.141 3.328 13.733 1.00 0.00 H new ATOM 940 N LEU A 64 3.350 4.006 13.911 1.00 0.00 N ATOM 941 CA LEU A 64 2.160 4.708 13.461 1.00 0.00 C ATOM 942 C LEU A 64 2.525 5.625 12.292 1.00 0.00 C ATOM 943 O LEU A 64 3.589 6.243 12.293 1.00 0.00 O ATOM 944 CB LEU A 64 1.493 5.436 14.630 1.00 0.00 C ATOM 945 CG LEU A 64 0.656 4.568 15.571 1.00 0.00 C ATOM 946 CD1 LEU A 64 -0.774 4.413 15.047 1.00 0.00 C ATOM 947 CD2 LEU A 64 1.328 3.215 15.813 1.00 0.00 C ATOM 0 H LEU A 64 3.551 4.102 14.906 1.00 0.00 H new ATOM 0 HA LEU A 64 1.417 4.001 13.091 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.269 5.928 15.216 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.853 6.220 14.226 1.00 0.00 H new ATOM 0 HG LEU A 64 0.593 5.072 16.535 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.348 3.792 15.734 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.241 5.395 14.969 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.752 3.942 14.064 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.712 2.618 16.485 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.443 2.691 14.864 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.309 3.371 16.262 1.00 0.00 H new ATOM 959 N VAL A 65 1.623 5.685 11.324 1.00 0.00 N ATOM 960 CA VAL A 65 1.838 6.516 10.152 1.00 0.00 C ATOM 961 C VAL A 65 0.857 7.691 10.179 1.00 0.00 C ATOM 962 O VAL A 65 -0.353 7.496 10.086 1.00 0.00 O ATOM 963 CB VAL A 65 1.723 5.671 8.882 1.00 0.00 C ATOM 964 CG1 VAL A 65 1.515 6.556 7.651 1.00 0.00 C ATOM 965 CG2 VAL A 65 2.948 4.771 8.710 1.00 0.00 C ATOM 0 H VAL A 65 0.742 5.172 11.327 1.00 0.00 H new ATOM 0 HA VAL A 65 2.845 6.932 10.159 1.00 0.00 H new ATOM 0 HB VAL A 65 0.848 5.030 8.984 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.436 5.930 6.762 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.599 7.135 7.769 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.361 7.234 7.543 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.841 4.181 7.800 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.845 5.387 8.640 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.032 4.103 9.567 1.00 0.00 H new ATOM 975 N PRO A 66 1.432 8.916 10.309 1.00 0.00 N ATOM 976 CA PRO A 66 0.623 10.122 10.350 1.00 0.00 C ATOM 977 C PRO A 66 0.099 10.478 8.957 1.00 0.00 C ATOM 978 O PRO A 66 0.833 10.392 7.973 1.00 0.00 O ATOM 979 CB PRO A 66 1.535 11.190 10.932 1.00 0.00 C ATOM 980 CG PRO A 66 2.952 10.664 10.763 1.00 0.00 C ATOM 981 CD PRO A 66 2.863 9.186 10.422 1.00 0.00 C ATOM 0 HA PRO A 66 -0.272 10.007 10.961 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.406 12.139 10.412 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.307 11.368 11.983 1.00 0.00 H new ATOM 0 HG2 PRO A 66 3.469 11.208 9.972 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.525 10.811 11.678 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.383 8.963 9.490 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.322 8.573 11.198 1.00 0.00 H new ATOM 989 N GLU A 67 -1.166 10.870 8.918 1.00 0.00 N ATOM 990 CA GLU A 67 -1.796 11.239 7.662 1.00 0.00 C ATOM 991 C GLU A 67 -1.519 12.709 7.340 1.00 0.00 C ATOM 992 O GLU A 67 -1.622 13.126 6.188 1.00 0.00 O ATOM 993 CB GLU A 67 -3.300 10.960 7.700 1.00 0.00 C ATOM 994 CG GLU A 67 -3.578 9.457 7.747 1.00 0.00 C ATOM 995 CD GLU A 67 -4.937 9.131 7.123 1.00 0.00 C ATOM 996 OE1 GLU A 67 -5.851 9.967 7.285 1.00 0.00 O ATOM 997 OE2 GLU A 67 -5.030 8.053 6.497 1.00 0.00 O ATOM 0 H GLU A 67 -1.771 10.940 9.736 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.366 10.627 6.869 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.741 11.442 8.572 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.776 11.394 6.821 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.792 8.921 7.215 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.556 9.112 8.781 1.00 0.00 H new ATOM 1004 N ASP A 68 -1.173 13.454 8.380 1.00 0.00 N ATOM 1005 CA ASP A 68 -0.881 14.868 8.223 1.00 0.00 C ATOM 1006 C ASP A 68 0.493 15.031 7.569 1.00 0.00 C ATOM 1007 O ASP A 68 0.827 16.109 7.079 1.00 0.00 O ATOM 1008 CB ASP A 68 -0.845 15.577 9.579 1.00 0.00 C ATOM 1009 CG ASP A 68 -2.100 16.384 9.920 1.00 0.00 C ATOM 1010 OD1 ASP A 68 -3.063 15.755 10.409 1.00 0.00 O ATOM 1011 OD2 ASP A 68 -2.068 17.611 9.683 1.00 0.00 O ATOM 0 H ASP A 68 -1.088 13.104 9.334 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.665 15.308 7.606 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.688 14.831 10.358 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.016 16.246 9.600 1.00 0.00 H new ATOM 1016 N LYS A 69 1.251 13.944 7.581 1.00 0.00 N ATOM 1017 CA LYS A 69 2.580 13.953 6.994 1.00 0.00 C ATOM 1018 C LYS A 69 2.656 12.890 5.896 1.00 0.00 C ATOM 1019 O LYS A 69 2.134 11.788 6.058 1.00 0.00 O ATOM 1020 CB LYS A 69 3.646 13.792 8.080 1.00 0.00 C ATOM 1021 CG LYS A 69 3.559 14.924 9.106 1.00 0.00 C ATOM 1022 CD LYS A 69 4.818 15.792 9.072 1.00 0.00 C ATOM 1023 CE LYS A 69 5.228 16.220 10.482 1.00 0.00 C ATOM 1024 NZ LYS A 69 6.701 16.317 10.588 1.00 0.00 N ATOM 0 H LYS A 69 0.970 13.052 7.988 1.00 0.00 H new ATOM 0 HA LYS A 69 2.781 14.915 6.522 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.518 12.832 8.581 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.636 13.785 7.624 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.683 15.539 8.901 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.428 14.506 10.104 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.633 15.239 8.605 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.639 16.675 8.458 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.776 17.183 10.722 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.852 15.501 11.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.961 16.609 11.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.126 15.391 10.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.053 17.020 9.907 1.00 0.00 H new ATOM 1038 N THR A 70 3.308 13.259 4.804 1.00 0.00 N ATOM 1039 CA THR A 70 3.458 12.352 3.679 1.00 0.00 C ATOM 1040 C THR A 70 4.491 11.270 4.001 1.00 0.00 C ATOM 1041 O THR A 70 5.200 11.361 5.003 1.00 0.00 O ATOM 1042 CB THR A 70 3.814 13.183 2.445 1.00 0.00 C ATOM 1043 OG1 THR A 70 5.162 13.584 2.673 1.00 0.00 O ATOM 1044 CG2 THR A 70 3.038 14.500 2.383 1.00 0.00 C ATOM 0 H THR A 70 3.739 14.174 4.674 1.00 0.00 H new ATOM 0 HA THR A 70 2.529 11.820 3.473 1.00 0.00 H new ATOM 0 HB THR A 70 3.614 12.601 1.545 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.474 14.127 1.919 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.328 15.051 1.489 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.969 14.291 2.350 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.264 15.097 3.266 1.00 0.00 H new ATOM 1052 N LEU A 71 4.544 10.270 3.134 1.00 0.00 N ATOM 1053 CA LEU A 71 5.478 9.172 3.313 1.00 0.00 C ATOM 1054 C LEU A 71 6.881 9.735 3.549 1.00 0.00 C ATOM 1055 O LEU A 71 7.474 9.512 4.604 1.00 0.00 O ATOM 1056 CB LEU A 71 5.396 8.200 2.134 1.00 0.00 C ATOM 1057 CG LEU A 71 4.001 7.667 1.800 1.00 0.00 C ATOM 1058 CD1 LEU A 71 3.766 7.655 0.288 1.00 0.00 C ATOM 1059 CD2 LEU A 71 3.775 6.290 2.426 1.00 0.00 C ATOM 0 H LEU A 71 3.955 10.197 2.305 1.00 0.00 H new ATOM 0 HA LEU A 71 5.215 8.589 4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.794 8.698 1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.047 7.351 2.343 1.00 0.00 H new ATOM 0 HG LEU A 71 3.265 8.343 2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.767 7.272 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.855 8.669 -0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.508 7.016 -0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.776 5.935 2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.517 5.590 2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.871 6.363 3.509 1.00 0.00 H new ATOM 1071 N ARG A 72 7.371 10.453 2.550 1.00 0.00 N ATOM 1072 CA ARG A 72 8.694 11.050 2.635 1.00 0.00 C ATOM 1073 C ARG A 72 8.859 11.784 3.967 1.00 0.00 C ATOM 1074 O ARG A 72 9.975 11.933 4.464 1.00 0.00 O ATOM 1075 CB ARG A 72 8.930 12.032 1.486 1.00 0.00 C ATOM 1076 CG ARG A 72 10.356 12.586 1.523 1.00 0.00 C ATOM 1077 CD ARG A 72 10.360 14.104 1.335 1.00 0.00 C ATOM 1078 NE ARG A 72 10.661 14.773 2.620 1.00 0.00 N ATOM 1079 CZ ARG A 72 10.690 16.102 2.787 1.00 0.00 C ATOM 1080 NH1 ARG A 72 10.437 16.913 1.750 1.00 0.00 N ATOM 1081 NH2 ARG A 72 10.973 16.620 3.989 1.00 0.00 N ATOM 0 H ARG A 72 6.876 10.635 1.677 1.00 0.00 H new ATOM 0 HA ARG A 72 9.427 10.246 2.566 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.755 11.532 0.534 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.215 12.852 1.551 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.824 12.333 2.474 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.952 12.118 0.740 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.102 14.384 0.587 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.391 14.435 0.962 1.00 0.00 H new ATOM 0 HE ARG A 72 10.859 14.185 3.430 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.223 16.518 0.834 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.459 17.925 1.877 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.167 16.003 4.778 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.995 17.632 4.116 1.00 0.00 H new ATOM 1095 N GLU A 73 7.733 12.224 4.508 1.00 0.00 N ATOM 1096 CA GLU A 73 7.739 12.939 5.773 1.00 0.00 C ATOM 1097 C GLU A 73 7.693 11.952 6.941 1.00 0.00 C ATOM 1098 O GLU A 73 8.364 12.151 7.953 1.00 0.00 O ATOM 1099 CB GLU A 73 6.577 13.932 5.848 1.00 0.00 C ATOM 1100 CG GLU A 73 6.842 15.154 4.966 1.00 0.00 C ATOM 1101 CD GLU A 73 7.730 16.169 5.689 1.00 0.00 C ATOM 1102 OE1 GLU A 73 8.672 15.714 6.372 1.00 0.00 O ATOM 1103 OE2 GLU A 73 7.445 17.377 5.542 1.00 0.00 O ATOM 0 H GLU A 73 6.810 12.099 4.093 1.00 0.00 H new ATOM 0 HA GLU A 73 8.666 13.509 5.841 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.656 13.443 5.531 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.431 14.249 6.881 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.322 14.841 4.039 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.896 15.622 4.693 1.00 0.00 H new ATOM 1110 N ILE A 74 6.896 10.910 6.762 1.00 0.00 N ATOM 1111 CA ILE A 74 6.754 9.892 7.789 1.00 0.00 C ATOM 1112 C ILE A 74 7.997 9.000 7.793 1.00 0.00 C ATOM 1113 O ILE A 74 8.117 8.099 8.621 1.00 0.00 O ATOM 1114 CB ILE A 74 5.445 9.121 7.602 1.00 0.00 C ATOM 1115 CG1 ILE A 74 5.643 7.922 6.673 1.00 0.00 C ATOM 1116 CG2 ILE A 74 4.329 10.046 7.114 1.00 0.00 C ATOM 1117 CD1 ILE A 74 5.795 6.627 7.474 1.00 0.00 C ATOM 0 H ILE A 74 6.342 10.748 5.921 1.00 0.00 H new ATOM 0 HA ILE A 74 6.688 10.353 8.775 1.00 0.00 H new ATOM 0 HB ILE A 74 5.138 8.730 8.572 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.793 7.838 5.996 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.528 8.078 6.056 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.410 9.473 6.989 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.167 10.838 7.845 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.614 10.487 6.159 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.934 5.790 6.790 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.660 6.706 8.132 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.899 6.461 8.072 1.00 0.00 H new ATOM 1129 N LYS A 75 8.891 9.283 6.856 1.00 0.00 N ATOM 1130 CA LYS A 75 10.121 8.518 6.741 1.00 0.00 C ATOM 1131 C LYS A 75 9.849 7.239 5.946 1.00 0.00 C ATOM 1132 O LYS A 75 9.658 6.172 6.527 1.00 0.00 O ATOM 1133 CB LYS A 75 10.727 8.266 8.123 1.00 0.00 C ATOM 1134 CG LYS A 75 10.636 9.517 8.998 1.00 0.00 C ATOM 1135 CD LYS A 75 9.808 9.248 10.256 1.00 0.00 C ATOM 1136 CE LYS A 75 10.498 9.815 11.499 1.00 0.00 C ATOM 1137 NZ LYS A 75 9.599 10.752 12.208 1.00 0.00 N ATOM 0 H LYS A 75 8.788 10.031 6.170 1.00 0.00 H new ATOM 0 HA LYS A 75 10.871 9.084 6.188 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.206 7.440 8.607 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.770 7.967 8.018 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.638 9.841 9.280 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.186 10.331 8.429 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.820 9.696 10.148 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.660 8.175 10.376 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.785 9.002 12.166 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.415 10.329 11.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.082 11.128 13.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.346 11.537 11.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.736 10.251 12.500 1.00 0.00 H new ATOM 1151 N VAL A 76 9.839 7.389 4.630 1.00 0.00 N ATOM 1152 CA VAL A 76 9.593 6.260 3.750 1.00 0.00 C ATOM 1153 C VAL A 76 10.642 6.248 2.636 1.00 0.00 C ATOM 1154 O VAL A 76 11.148 7.299 2.245 1.00 0.00 O ATOM 1155 CB VAL A 76 8.159 6.312 3.219 1.00 0.00 C ATOM 1156 CG1 VAL A 76 7.966 5.329 2.063 1.00 0.00 C ATOM 1157 CG2 VAL A 76 7.150 6.048 4.339 1.00 0.00 C ATOM 0 H VAL A 76 9.997 8.276 4.152 1.00 0.00 H new ATOM 0 HA VAL A 76 9.689 5.322 4.298 1.00 0.00 H new ATOM 0 HB VAL A 76 7.979 7.317 2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.938 5.386 1.704 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.648 5.583 1.252 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.174 4.316 2.408 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.139 6.091 3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.329 5.061 4.765 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.263 6.804 5.116 1.00 0.00 H new ATOM 1167 N THR A 77 10.938 5.049 2.158 1.00 0.00 N ATOM 1168 CA THR A 77 11.918 4.887 1.098 1.00 0.00 C ATOM 1169 C THR A 77 11.611 3.635 0.274 1.00 0.00 C ATOM 1170 O THR A 77 10.536 3.050 0.404 1.00 0.00 O ATOM 1171 CB THR A 77 13.308 4.868 1.737 1.00 0.00 C ATOM 1172 OG1 THR A 77 13.186 3.932 2.805 1.00 0.00 O ATOM 1173 CG2 THR A 77 13.650 6.186 2.433 1.00 0.00 C ATOM 0 H THR A 77 10.516 4.180 2.485 1.00 0.00 H new ATOM 0 HA THR A 77 11.880 5.718 0.394 1.00 0.00 H new ATOM 0 HB THR A 77 14.056 4.657 0.973 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.044 3.856 3.273 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.647 6.119 2.869 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.626 6.998 1.706 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.922 6.382 3.220 1.00 0.00 H new ATOM 1181 N SER A 78 12.573 3.260 -0.556 1.00 0.00 N ATOM 1182 CA SER A 78 12.419 2.088 -1.400 1.00 0.00 C ATOM 1183 C SER A 78 12.703 0.819 -0.592 1.00 0.00 C ATOM 1184 O SER A 78 13.849 0.549 -0.236 1.00 0.00 O ATOM 1185 CB SER A 78 13.344 2.160 -2.617 1.00 0.00 C ATOM 1186 OG SER A 78 12.615 2.185 -3.841 1.00 0.00 O ATOM 0 H SER A 78 13.463 3.748 -0.662 1.00 0.00 H new ATOM 0 HA SER A 78 11.391 2.059 -1.760 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.966 3.052 -2.547 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.016 1.302 -2.613 1.00 0.00 H new ATOM 0 HG SER A 78 13.241 2.233 -4.594 1.00 0.00 H new ATOM 1192 N GLY A 79 11.639 0.075 -0.327 1.00 0.00 N ATOM 1193 CA GLY A 79 11.759 -1.158 0.433 1.00 0.00 C ATOM 1194 C GLY A 79 11.031 -1.049 1.774 1.00 0.00 C ATOM 1195 O GLY A 79 11.351 -1.769 2.718 1.00 0.00 O ATOM 0 H GLY A 79 10.690 0.302 -0.625 1.00 0.00 H new ATOM 0 HA2 GLY A 79 11.346 -1.986 -0.143 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.812 -1.383 0.604 1.00 0.00 H new ATOM 1199 N ALA A 80 10.064 -0.144 1.814 1.00 0.00 N ATOM 1200 CA ALA A 80 9.287 0.068 3.023 1.00 0.00 C ATOM 1201 C ALA A 80 8.050 -0.832 2.994 1.00 0.00 C ATOM 1202 O ALA A 80 7.212 -0.712 2.102 1.00 0.00 O ATOM 1203 CB ALA A 80 8.927 1.550 3.146 1.00 0.00 C ATOM 0 H ALA A 80 9.801 0.451 1.028 1.00 0.00 H new ATOM 0 HA ALA A 80 9.869 -0.200 3.905 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.344 1.709 4.053 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.840 2.144 3.193 1.00 0.00 H new ATOM 0 HB3 ALA A 80 8.340 1.855 2.280 1.00 0.00 H new ATOM 1209 N LYS A 81 7.976 -1.714 3.980 1.00 0.00 N ATOM 1210 CA LYS A 81 6.855 -2.633 4.079 1.00 0.00 C ATOM 1211 C LYS A 81 5.609 -1.867 4.527 1.00 0.00 C ATOM 1212 O LYS A 81 5.715 -0.840 5.197 1.00 0.00 O ATOM 1213 CB LYS A 81 7.209 -3.814 4.984 1.00 0.00 C ATOM 1214 CG LYS A 81 7.140 -5.135 4.215 1.00 0.00 C ATOM 1215 CD LYS A 81 8.475 -5.444 3.535 1.00 0.00 C ATOM 1216 CE LYS A 81 9.456 -6.087 4.517 1.00 0.00 C ATOM 1217 NZ LYS A 81 10.795 -6.217 3.902 1.00 0.00 N ATOM 0 H LYS A 81 8.674 -1.812 4.717 1.00 0.00 H new ATOM 0 HA LYS A 81 6.630 -3.064 3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.211 -3.678 5.390 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.523 -3.846 5.831 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.880 -5.944 4.898 1.00 0.00 H new ATOM 0 HG3 LYS A 81 6.350 -5.083 3.466 1.00 0.00 H new ATOM 0 HD2 LYS A 81 8.310 -6.113 2.690 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.905 -4.525 3.136 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.522 -5.483 5.422 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.090 -7.069 4.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.448 -6.655 4.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.730 -6.812 3.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.149 -5.275 3.639 1.00 0.00 H new ATOM 1231 N ILE A 82 4.457 -2.394 4.140 1.00 0.00 N ATOM 1232 CA ILE A 82 3.193 -1.772 4.494 1.00 0.00 C ATOM 1233 C ILE A 82 2.194 -2.856 4.904 1.00 0.00 C ATOM 1234 O ILE A 82 1.656 -3.564 4.054 1.00 0.00 O ATOM 1235 CB ILE A 82 2.698 -0.879 3.355 1.00 0.00 C ATOM 1236 CG1 ILE A 82 3.696 0.244 3.065 1.00 0.00 C ATOM 1237 CG2 ILE A 82 1.297 -0.339 3.650 1.00 0.00 C ATOM 1238 CD1 ILE A 82 3.534 1.392 4.064 1.00 0.00 C ATOM 0 H ILE A 82 4.373 -3.245 3.584 1.00 0.00 H new ATOM 0 HA ILE A 82 3.320 -1.113 5.353 1.00 0.00 H new ATOM 0 HB ILE A 82 2.625 -1.486 2.453 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.713 -0.146 3.115 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.547 0.615 2.051 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.969 0.293 2.824 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.603 -1.172 3.767 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.319 0.247 4.569 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.255 2.177 3.836 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.524 1.795 3.994 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.708 1.022 5.075 1.00 0.00 H new ATOM 1250 N MET A 83 1.975 -2.951 6.207 1.00 0.00 N ATOM 1251 CA MET A 83 1.050 -3.936 6.741 1.00 0.00 C ATOM 1252 C MET A 83 -0.399 -3.469 6.584 1.00 0.00 C ATOM 1253 O MET A 83 -0.728 -2.332 6.916 1.00 0.00 O ATOM 1254 CB MET A 83 1.353 -4.172 8.222 1.00 0.00 C ATOM 1255 CG MET A 83 2.614 -5.020 8.395 1.00 0.00 C ATOM 1256 SD MET A 83 2.275 -6.408 9.465 1.00 0.00 S ATOM 1257 CE MET A 83 3.351 -7.632 8.737 1.00 0.00 C ATOM 0 H MET A 83 2.422 -2.362 6.909 1.00 0.00 H new ATOM 0 HA MET A 83 1.176 -4.864 6.183 1.00 0.00 H new ATOM 0 HB2 MET A 83 1.482 -3.215 8.728 1.00 0.00 H new ATOM 0 HB3 MET A 83 0.507 -4.671 8.695 1.00 0.00 H new ATOM 0 HG2 MET A 83 2.959 -5.375 7.424 1.00 0.00 H new ATOM 0 HG3 MET A 83 3.415 -4.413 8.816 1.00 0.00 H new ATOM 0 HE1 MET A 83 3.768 -8.263 9.522 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.783 -8.248 8.040 1.00 0.00 H new ATOM 0 HE3 MET A 83 4.161 -7.134 8.204 1.00 0.00 H new ATOM 1267 N VAL A 84 -1.227 -4.372 6.078 1.00 0.00 N ATOM 1268 CA VAL A 84 -2.632 -4.067 5.873 1.00 0.00 C ATOM 1269 C VAL A 84 -3.487 -5.134 6.562 1.00 0.00 C ATOM 1270 O VAL A 84 -3.064 -6.281 6.696 1.00 0.00 O ATOM 1271 CB VAL A 84 -2.927 -3.939 4.377 1.00 0.00 C ATOM 1272 CG1 VAL A 84 -4.378 -3.514 4.139 1.00 0.00 C ATOM 1273 CG2 VAL A 84 -1.955 -2.966 3.708 1.00 0.00 C ATOM 0 H VAL A 84 -0.951 -5.315 5.804 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.884 -3.107 6.324 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.786 -4.920 3.923 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.562 -3.430 3.068 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.050 -4.259 4.565 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.557 -2.550 4.614 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.187 -2.893 2.645 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.050 -1.983 4.168 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.934 -3.328 3.833 1.00 0.00 H new ATOM 1283 N VAL A 85 -4.673 -4.717 6.979 1.00 0.00 N ATOM 1284 CA VAL A 85 -5.590 -5.622 7.650 1.00 0.00 C ATOM 1285 C VAL A 85 -7.030 -5.209 7.336 1.00 0.00 C ATOM 1286 O VAL A 85 -7.319 -4.023 7.181 1.00 0.00 O ATOM 1287 CB VAL A 85 -5.292 -5.652 9.151 1.00 0.00 C ATOM 1288 CG1 VAL A 85 -6.129 -6.723 9.855 1.00 0.00 C ATOM 1289 CG2 VAL A 85 -3.799 -5.866 9.408 1.00 0.00 C ATOM 0 H VAL A 85 -5.020 -3.765 6.865 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.456 -6.640 7.284 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.569 -4.684 9.568 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.898 -6.723 10.920 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.188 -6.508 9.713 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.898 -7.701 9.433 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.614 -5.883 10.482 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.487 -6.814 8.970 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.232 -5.053 8.955 1.00 0.00 H new