USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 401 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 THR OG1 : rot -21:sc= 0.345 USER MOD Single : A 22 TYR OH : rot -140:sc= 0.33 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 180:sc= -0.158 USER MOD Single : A 33 ASN : amide:sc=-0.00294 X(o=-0.0029,f=0.077) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -60:sc= 1.23 USER MOD Single : A 45 GLN : amide:sc= -0.0039 K(o=-0.0039,f=-1.1) USER MOD Single : A 46 THR OG1 : rot -37:sc= 1.11 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.561 K(o=-0.56,f=-4.3!) USER MOD Single : A 50 TYR OH : rot 151:sc= 0.337 USER MOD Single : A 57 GLN : amide:sc= -1.73 K(o=-1.7,f=-7.2!) USER MOD Single : A 58 SER OG : rot 171:sc= -0.0284 USER MOD Single : A 60 GLN : amide:sc= -0.793 K(o=-0.79,f=0) USER MOD Single : A 62 CYS SG : rot 56:sc= 0.13 USER MOD Single : A 66 LYS NZ :NH3+ -151:sc= 2.46 (180deg=1.67) USER MOD Single : A 69 LYS NZ :NH3+ -166:sc= -0.0391 (180deg=-0.237) USER MOD ----------------------------------------------------------------- ATOM 176 N THR A 21 6.926 5.977 -3.126 1.00 0.00 N ATOM 177 CA THR A 21 6.024 6.768 -2.399 1.00 0.00 C ATOM 178 C THR A 21 4.672 6.820 -3.082 1.00 0.00 C ATOM 179 O THR A 21 4.570 6.679 -4.314 1.00 0.00 O ATOM 180 CB THR A 21 6.588 8.161 -2.179 1.00 0.00 C ATOM 181 OG1 THR A 21 7.275 8.631 -3.365 1.00 0.00 O ATOM 182 CG2 THR A 21 7.508 8.211 -0.973 1.00 0.00 C ATOM 0 HA THR A 21 5.879 6.308 -1.421 1.00 0.00 H new ATOM 0 HB THR A 21 5.747 8.825 -1.979 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.520 7.866 -3.926 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.891 9.224 -0.849 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.954 7.921 -0.080 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.341 7.524 -1.122 1.00 0.00 H new ATOM 190 N TYR A 22 3.642 6.979 -2.286 1.00 0.00 N ATOM 191 CA TYR A 22 2.276 6.948 -2.754 1.00 0.00 C ATOM 192 C TYR A 22 1.497 8.157 -2.272 1.00 0.00 C ATOM 193 O TYR A 22 1.876 8.797 -1.294 1.00 0.00 O ATOM 194 CB TYR A 22 1.602 5.655 -2.286 1.00 0.00 C ATOM 195 CG TYR A 22 2.177 4.424 -2.926 1.00 0.00 C ATOM 196 CD1 TYR A 22 1.581 3.876 -4.035 1.00 0.00 C ATOM 197 CD2 TYR A 22 3.345 3.843 -2.452 1.00 0.00 C ATOM 198 CE1 TYR A 22 2.127 2.796 -4.668 1.00 0.00 C ATOM 199 CE2 TYR A 22 3.895 2.754 -3.071 1.00 0.00 C ATOM 200 CZ TYR A 22 3.283 2.237 -4.187 1.00 0.00 C ATOM 201 OH TYR A 22 3.848 1.190 -4.858 1.00 0.00 O ATOM 0 H TYR A 22 3.730 7.136 -1.282 1.00 0.00 H new ATOM 0 HA TYR A 22 2.285 6.978 -3.844 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.699 5.573 -1.203 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.536 5.708 -2.507 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.665 4.306 -4.413 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.828 4.258 -1.580 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.650 2.384 -5.545 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.800 2.306 -2.687 1.00 0.00 H new ATOM 0 HH TYR A 22 4.185 0.532 -4.214 1.00 0.00 H new ATOM 211 N ALA A 23 0.422 8.458 -2.960 1.00 0.00 N ATOM 212 CA ALA A 23 -0.420 9.596 -2.640 1.00 0.00 C ATOM 213 C ALA A 23 -1.804 9.105 -2.249 1.00 0.00 C ATOM 214 O ALA A 23 -2.213 8.020 -2.673 1.00 0.00 O ATOM 215 CB ALA A 23 -0.516 10.514 -3.851 1.00 0.00 C ATOM 0 H ALA A 23 0.101 7.919 -3.764 1.00 0.00 H new ATOM 0 HA ALA A 23 0.012 10.150 -1.807 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.148 11.369 -3.611 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.480 10.864 -4.122 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.948 9.967 -4.689 1.00 0.00 H new ATOM 221 N LEU A 24 -2.509 9.865 -1.421 1.00 0.00 N ATOM 222 CA LEU A 24 -3.860 9.491 -1.008 1.00 0.00 C ATOM 223 C LEU A 24 -4.804 9.501 -2.188 1.00 0.00 C ATOM 224 O LEU A 24 -4.521 10.131 -3.224 1.00 0.00 O ATOM 225 CB LEU A 24 -4.416 10.388 0.109 1.00 0.00 C ATOM 226 CG LEU A 24 -3.532 10.554 1.330 1.00 0.00 C ATOM 227 CD1 LEU A 24 -4.215 11.355 2.411 1.00 0.00 C ATOM 228 CD2 LEU A 24 -3.046 9.229 1.846 1.00 0.00 C ATOM 0 H LEU A 24 -2.172 10.741 -1.022 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.786 8.481 -0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.613 11.375 -0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.374 9.981 0.431 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.655 11.121 1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.549 11.451 3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.461 12.346 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.130 10.847 2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.416 9.388 2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.900 8.610 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.469 8.726 1.070 1.00 0.00 H new ATOM 240 N GLN A 25 -5.904 8.782 -2.040 1.00 0.00 N ATOM 241 CA GLN A 25 -6.970 8.670 -3.033 1.00 0.00 C ATOM 242 C GLN A 25 -6.506 7.913 -4.270 1.00 0.00 C ATOM 243 O GLN A 25 -7.201 7.853 -5.274 1.00 0.00 O ATOM 244 CB GLN A 25 -7.549 10.036 -3.421 1.00 0.00 C ATOM 245 CG GLN A 25 -8.072 10.853 -2.251 1.00 0.00 C ATOM 246 CD GLN A 25 -8.837 12.066 -2.719 1.00 0.00 C ATOM 247 OE1 GLN A 25 -10.044 12.005 -2.921 1.00 0.00 O ATOM 248 NE2 GLN A 25 -8.160 13.161 -2.898 1.00 0.00 N ATOM 0 H GLN A 25 -6.090 8.239 -1.197 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.770 8.097 -2.563 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.778 10.611 -3.934 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.360 9.884 -4.133 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -8.718 10.231 -1.632 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -7.238 11.168 -1.624 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -7.156 13.175 -2.720 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -8.633 14.007 -3.217 1.00 0.00 H new ATOM 257 N GLU A 26 -5.344 7.330 -4.184 1.00 0.00 N ATOM 258 CA GLU A 26 -4.803 6.565 -5.261 1.00 0.00 C ATOM 259 C GLU A 26 -5.170 5.110 -5.057 1.00 0.00 C ATOM 260 O GLU A 26 -5.210 4.629 -3.916 1.00 0.00 O ATOM 261 CB GLU A 26 -3.287 6.757 -5.351 1.00 0.00 C ATOM 262 CG GLU A 26 -2.632 6.051 -6.524 1.00 0.00 C ATOM 263 CD GLU A 26 -3.243 6.455 -7.844 1.00 0.00 C ATOM 264 OE1 GLU A 26 -2.762 7.418 -8.460 1.00 0.00 O ATOM 265 OE2 GLU A 26 -4.229 5.819 -8.289 1.00 0.00 O1- ATOM 0 H GLU A 26 -4.746 7.375 -3.359 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.223 6.906 -6.207 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.072 7.823 -5.419 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.833 6.398 -4.427 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.566 6.278 -6.534 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.727 4.973 -6.396 1.00 0.00 H new ATOM 272 N ASP A 27 -5.475 4.446 -6.136 1.00 0.00 N ATOM 273 CA ASP A 27 -5.858 3.060 -6.107 1.00 0.00 C ATOM 274 C ASP A 27 -4.636 2.261 -6.422 1.00 0.00 C ATOM 275 O ASP A 27 -3.937 2.544 -7.405 1.00 0.00 O ATOM 276 CB ASP A 27 -6.967 2.752 -7.123 1.00 0.00 C ATOM 277 CG ASP A 27 -8.217 3.563 -6.902 1.00 0.00 C ATOM 278 OD1 ASP A 27 -8.384 4.605 -7.576 1.00 0.00 O ATOM 279 OD2 ASP A 27 -9.064 3.190 -6.058 1.00 0.00 O1- ATOM 0 H ASP A 27 -5.465 4.855 -7.071 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.257 2.809 -5.124 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.592 2.941 -8.129 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.215 1.692 -7.070 1.00 0.00 H new ATOM 284 N VAL A 28 -4.344 1.316 -5.587 1.00 0.00 N ATOM 285 CA VAL A 28 -3.132 0.526 -5.679 1.00 0.00 C ATOM 286 C VAL A 28 -3.385 -0.914 -5.269 1.00 0.00 C ATOM 287 O VAL A 28 -4.314 -1.198 -4.495 1.00 0.00 O ATOM 288 CB VAL A 28 -2.023 1.120 -4.765 1.00 0.00 C ATOM 289 CG1 VAL A 28 -1.415 2.354 -5.384 1.00 0.00 C ATOM 290 CG2 VAL A 28 -2.628 1.497 -3.428 1.00 0.00 C ATOM 0 H VAL A 28 -4.944 1.058 -4.804 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.805 0.550 -6.719 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.244 0.368 -4.638 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.643 2.749 -4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.974 2.098 -6.347 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.189 3.108 -5.528 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.854 1.914 -2.783 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.413 2.238 -3.580 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.053 0.610 -2.958 1.00 0.00 H new ATOM 300 N PHE A 29 -2.591 -1.818 -5.796 1.00 0.00 N ATOM 301 CA PHE A 29 -2.670 -3.203 -5.398 1.00 0.00 C ATOM 302 C PHE A 29 -1.814 -3.411 -4.167 1.00 0.00 C ATOM 303 O PHE A 29 -0.724 -2.843 -4.073 1.00 0.00 O ATOM 304 CB PHE A 29 -2.227 -4.161 -6.512 1.00 0.00 C ATOM 305 CG PHE A 29 -3.235 -4.397 -7.600 1.00 0.00 C ATOM 306 CD1 PHE A 29 -4.344 -5.193 -7.365 1.00 0.00 C ATOM 307 CD2 PHE A 29 -3.058 -3.868 -8.856 1.00 0.00 C ATOM 308 CE1 PHE A 29 -5.257 -5.448 -8.367 1.00 0.00 C ATOM 309 CE2 PHE A 29 -3.970 -4.113 -9.866 1.00 0.00 C ATOM 310 CZ PHE A 29 -5.071 -4.905 -9.620 1.00 0.00 C ATOM 0 H PHE A 29 -1.883 -1.618 -6.502 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.714 -3.430 -5.182 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.316 -3.769 -6.964 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.972 -5.121 -6.062 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.496 -5.620 -6.384 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.194 -3.252 -9.057 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.116 -6.072 -8.170 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.820 -3.685 -10.846 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.785 -5.099 -10.406 1.00 0.00 H new ATOM 320 N ILE A 30 -2.312 -4.207 -3.237 1.00 0.00 N ATOM 321 CA ILE A 30 -1.638 -4.484 -1.973 1.00 0.00 C ATOM 322 C ILE A 30 -1.404 -5.949 -1.832 1.00 0.00 C ATOM 323 O ILE A 30 -2.335 -6.754 -1.847 1.00 0.00 O ATOM 324 CB ILE A 30 -2.449 -3.974 -0.707 1.00 0.00 C ATOM 325 CG1 ILE A 30 -2.274 -2.481 -0.469 1.00 0.00 C ATOM 326 CG2 ILE A 30 -2.085 -4.737 0.572 1.00 0.00 C ATOM 327 CD1 ILE A 30 -2.690 -1.624 -1.607 1.00 0.00 C ATOM 0 H ILE A 30 -3.207 -4.687 -3.336 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.695 -3.938 -2.003 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.495 -4.170 -0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.848 -2.197 0.413 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.226 -2.282 -0.245 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.669 -4.348 1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.304 -5.796 0.439 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.023 -4.610 0.782 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.531 -0.577 -1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.099 -1.876 -2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.746 -1.789 -1.820 1.00 0.00 H new ATOM 339 N LYS A 31 -0.170 -6.276 -1.764 1.00 0.00 N ATOM 340 CA LYS A 31 0.282 -7.593 -1.545 1.00 0.00 C ATOM 341 C LYS A 31 0.179 -7.925 -0.076 1.00 0.00 C ATOM 342 O LYS A 31 0.673 -7.199 0.770 1.00 0.00 O ATOM 343 CB LYS A 31 1.728 -7.698 -2.014 1.00 0.00 C ATOM 344 CG LYS A 31 2.418 -8.984 -1.650 1.00 0.00 C ATOM 345 CD LYS A 31 3.886 -8.938 -1.980 1.00 0.00 C ATOM 346 CE LYS A 31 4.588 -10.135 -1.386 1.00 0.00 C ATOM 347 NZ LYS A 31 6.037 -10.134 -1.675 1.00 0.00 N1+ ATOM 0 H LYS A 31 0.587 -5.600 -1.864 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.331 -8.300 -2.104 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.753 -7.583 -3.098 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.293 -6.867 -1.592 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.290 -9.178 -0.585 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.950 -9.812 -2.183 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.024 -8.925 -3.061 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.325 -8.019 -1.592 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.435 -10.145 -0.307 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.142 -11.048 -1.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.477 -10.974 -1.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.186 -10.151 -2.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.470 -9.276 -1.277 1.00 0.00 H new ATOM 361 N CYS A 32 -0.500 -8.976 0.222 1.00 0.00 N ATOM 362 CA CYS A 32 -0.548 -9.464 1.559 1.00 0.00 C ATOM 363 C CYS A 32 0.740 -10.247 1.797 1.00 0.00 C ATOM 364 O CYS A 32 1.457 -10.551 0.841 1.00 0.00 O ATOM 365 CB CYS A 32 -1.805 -10.330 1.771 1.00 0.00 C ATOM 366 SG CYS A 32 -2.044 -10.929 3.461 1.00 0.00 S ATOM 0 H CYS A 32 -1.038 -9.522 -0.451 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.617 -8.648 2.278 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.681 -9.750 1.480 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.754 -11.188 1.101 1.00 0.00 H new ATOM 0 HG CYS A 32 -3.130 -11.641 3.519 1.00 0.00 H new ATOM 372 N ASN A 33 1.018 -10.604 3.032 1.00 0.00 N ATOM 373 CA ASN A 33 2.263 -11.300 3.394 1.00 0.00 C ATOM 374 C ASN A 33 2.324 -12.654 2.661 1.00 0.00 C ATOM 375 O ASN A 33 3.393 -13.151 2.317 1.00 0.00 O ATOM 376 CB ASN A 33 2.310 -11.494 4.920 1.00 0.00 C ATOM 377 CG ASN A 33 3.689 -11.867 5.483 1.00 0.00 C ATOM 378 OD1 ASN A 33 4.515 -12.486 4.828 1.00 0.00 O ATOM 379 ND2 ASN A 33 3.939 -11.478 6.707 1.00 0.00 N ATOM 0 H ASN A 33 0.398 -10.427 3.822 1.00 0.00 H new ATOM 0 HA ASN A 33 3.127 -10.708 3.093 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.975 -10.574 5.399 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.599 -12.273 5.194 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.840 -11.690 7.136 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.233 -10.963 7.233 1.00 0.00 H new ATOM 386 N ASP A 34 1.152 -13.188 2.349 1.00 0.00 N ATOM 387 CA ASP A 34 1.034 -14.453 1.638 1.00 0.00 C ATOM 388 C ASP A 34 1.332 -14.297 0.125 1.00 0.00 C ATOM 389 O ASP A 34 1.619 -15.278 -0.565 1.00 0.00 O ATOM 390 CB ASP A 34 -0.380 -15.012 1.846 1.00 0.00 C ATOM 391 CG ASP A 34 -0.642 -16.295 1.099 1.00 0.00 C ATOM 392 OD1 ASP A 34 -1.169 -16.240 -0.015 1.00 0.00 O ATOM 393 OD2 ASP A 34 -0.357 -17.378 1.627 1.00 0.00 O1- ATOM 0 H ASP A 34 0.257 -12.757 2.581 1.00 0.00 H new ATOM 0 HA ASP A 34 1.774 -15.144 2.040 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.540 -15.183 2.911 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.107 -14.264 1.530 1.00 0.00 H new ATOM 398 N GLY A 35 1.365 -13.063 -0.367 1.00 0.00 N ATOM 399 CA GLY A 35 1.696 -12.838 -1.767 1.00 0.00 C ATOM 400 C GLY A 35 0.531 -12.415 -2.653 1.00 0.00 C ATOM 401 O GLY A 35 0.737 -12.018 -3.797 1.00 0.00 O ATOM 0 H GLY A 35 1.171 -12.219 0.172 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.469 -12.072 -1.822 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.126 -13.754 -2.173 1.00 0.00 H new ATOM 405 N ARG A 36 -0.677 -12.490 -2.146 1.00 0.00 N ATOM 406 CA ARG A 36 -1.849 -12.116 -2.949 1.00 0.00 C ATOM 407 C ARG A 36 -2.098 -10.625 -2.916 1.00 0.00 C ATOM 408 O ARG A 36 -1.861 -9.983 -1.895 1.00 0.00 O ATOM 409 CB ARG A 36 -3.111 -12.915 -2.564 1.00 0.00 C ATOM 410 CG ARG A 36 -3.179 -14.307 -3.196 1.00 0.00 C ATOM 411 CD ARG A 36 -2.016 -15.196 -2.778 1.00 0.00 C ATOM 412 NE ARG A 36 -1.898 -16.391 -3.608 1.00 0.00 N ATOM 413 CZ ARG A 36 -1.017 -17.385 -3.409 1.00 0.00 C ATOM 414 NH1 ARG A 36 -0.386 -17.503 -2.242 1.00 0.00 N1+ ATOM 415 NH2 ARG A 36 -0.850 -18.310 -4.350 1.00 0.00 N ATOM 0 H ARG A 36 -0.887 -12.800 -1.197 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.616 -12.385 -3.979 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.148 -13.017 -1.479 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.993 -12.348 -2.861 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.117 -14.785 -2.913 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.185 -14.209 -4.282 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.089 -14.626 -2.834 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.145 -15.492 -1.737 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.534 -16.478 -4.401 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.571 -16.836 -1.493 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.282 -18.260 -2.098 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.389 -18.261 -5.215 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.183 -19.068 -4.207 1.00 0.00 H new ATOM 429 N PHE A 37 -2.579 -10.089 -4.024 1.00 0.00 N ATOM 430 CA PHE A 37 -2.814 -8.665 -4.166 1.00 0.00 C ATOM 431 C PHE A 37 -4.276 -8.316 -4.096 1.00 0.00 C ATOM 432 O PHE A 37 -5.119 -8.966 -4.722 1.00 0.00 O ATOM 433 CB PHE A 37 -2.263 -8.128 -5.488 1.00 0.00 C ATOM 434 CG PHE A 37 -0.803 -7.796 -5.493 1.00 0.00 C ATOM 435 CD1 PHE A 37 0.136 -8.646 -6.038 1.00 0.00 C ATOM 436 CD2 PHE A 37 -0.384 -6.601 -4.964 1.00 0.00 C ATOM 437 CE1 PHE A 37 1.474 -8.295 -6.052 1.00 0.00 C ATOM 438 CE2 PHE A 37 0.923 -6.237 -4.963 1.00 0.00 C ATOM 439 CZ PHE A 37 1.871 -7.083 -5.512 1.00 0.00 C ATOM 0 H PHE A 37 -2.818 -10.633 -4.853 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.292 -8.201 -3.329 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.452 -8.867 -6.267 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.822 -7.232 -5.757 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.175 -9.592 -6.457 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.115 -5.931 -4.536 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.206 -8.963 -6.482 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.222 -5.291 -4.536 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.913 -6.800 -5.519 1.00 0.00 H new ATOM 449 N TYR A 38 -4.564 -7.308 -3.332 1.00 0.00 N ATOM 450 CA TYR A 38 -5.887 -6.762 -3.192 1.00 0.00 C ATOM 451 C TYR A 38 -5.858 -5.291 -3.578 1.00 0.00 C ATOM 452 O TYR A 38 -4.979 -4.565 -3.157 1.00 0.00 O ATOM 453 CB TYR A 38 -6.379 -6.939 -1.753 1.00 0.00 C ATOM 454 CG TYR A 38 -6.683 -8.370 -1.381 1.00 0.00 C ATOM 455 CD1 TYR A 38 -7.978 -8.846 -1.443 1.00 0.00 C ATOM 456 CD2 TYR A 38 -5.676 -9.248 -0.986 1.00 0.00 C ATOM 457 CE1 TYR A 38 -8.273 -10.152 -1.125 1.00 0.00 C ATOM 458 CE2 TYR A 38 -5.959 -10.559 -0.663 1.00 0.00 C ATOM 459 CZ TYR A 38 -7.266 -11.007 -0.738 1.00 0.00 C ATOM 460 OH TYR A 38 -7.570 -12.317 -0.434 1.00 0.00 O ATOM 0 H TYR A 38 -3.865 -6.824 -2.769 1.00 0.00 H new ATOM 0 HA TYR A 38 -6.578 -7.289 -3.850 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.623 -6.549 -1.071 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.277 -6.338 -1.610 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -8.773 -8.181 -1.746 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.656 -8.896 -0.932 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.292 -10.505 -1.179 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.169 -11.228 -0.355 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.752 -12.792 -0.180 1.00 0.00 H new ATOM 470 N LEU A 39 -6.776 -4.880 -4.404 1.00 0.00 N ATOM 471 CA LEU A 39 -6.845 -3.501 -4.879 1.00 0.00 C ATOM 472 C LEU A 39 -7.627 -2.614 -3.910 1.00 0.00 C ATOM 473 O LEU A 39 -8.803 -2.866 -3.624 1.00 0.00 O ATOM 474 CB LEU A 39 -7.452 -3.458 -6.307 1.00 0.00 C ATOM 475 CG LEU A 39 -7.664 -2.071 -6.950 1.00 0.00 C ATOM 476 CD1 LEU A 39 -6.405 -1.258 -6.888 1.00 0.00 C ATOM 477 CD2 LEU A 39 -8.066 -2.219 -8.403 1.00 0.00 C ATOM 0 H LEU A 39 -7.508 -5.484 -4.777 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.832 -3.102 -4.925 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.805 -4.038 -6.965 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.416 -3.966 -6.278 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.454 -1.567 -6.393 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.578 -0.284 -7.347 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.111 -1.122 -5.847 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.610 -1.776 -7.425 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.212 -1.232 -8.842 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.281 -2.746 -8.946 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.995 -2.786 -8.468 1.00 0.00 H new ATOM 489 N GLY A 40 -6.976 -1.583 -3.419 1.00 0.00 N ATOM 490 CA GLY A 40 -7.607 -0.673 -2.503 1.00 0.00 C ATOM 491 C GLY A 40 -7.205 0.759 -2.778 1.00 0.00 C ATOM 492 O GLY A 40 -6.318 1.010 -3.602 1.00 0.00 O ATOM 0 H GLY A 40 -6.007 -1.358 -3.643 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.690 -0.769 -2.581 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.336 -0.938 -1.481 1.00 0.00 H new ATOM 496 N THR A 41 -7.829 1.678 -2.098 1.00 0.00 N ATOM 497 CA THR A 41 -7.571 3.084 -2.264 1.00 0.00 C ATOM 498 C THR A 41 -6.866 3.620 -0.996 1.00 0.00 C ATOM 499 O THR A 41 -7.268 3.297 0.123 1.00 0.00 O ATOM 500 CB THR A 41 -8.914 3.814 -2.466 1.00 0.00 C ATOM 501 OG1 THR A 41 -9.693 3.105 -3.454 1.00 0.00 O ATOM 502 CG2 THR A 41 -8.695 5.244 -2.941 1.00 0.00 C ATOM 0 H THR A 41 -8.544 1.470 -1.401 1.00 0.00 H new ATOM 0 HA THR A 41 -6.931 3.253 -3.130 1.00 0.00 H new ATOM 0 HB THR A 41 -9.439 3.842 -1.511 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.203 3.083 -4.303 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.659 5.735 -3.075 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.111 5.788 -2.199 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.158 5.234 -3.889 1.00 0.00 H new ATOM 510 N ILE A 42 -5.813 4.394 -1.171 1.00 0.00 N ATOM 511 CA ILE A 42 -5.062 4.936 -0.033 1.00 0.00 C ATOM 512 C ILE A 42 -5.843 6.058 0.634 1.00 0.00 C ATOM 513 O ILE A 42 -6.318 6.973 -0.040 1.00 0.00 O ATOM 514 CB ILE A 42 -3.684 5.496 -0.459 1.00 0.00 C ATOM 515 CG1 ILE A 42 -2.964 4.475 -1.322 1.00 0.00 C ATOM 516 CG2 ILE A 42 -2.845 5.827 0.783 1.00 0.00 C ATOM 517 CD1 ILE A 42 -1.610 4.882 -1.782 1.00 0.00 C ATOM 0 H ILE A 42 -5.451 4.667 -2.085 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.909 4.109 0.661 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.829 6.410 -1.035 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.876 3.545 -0.760 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.579 4.262 -2.196 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.877 6.221 0.474 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.364 6.573 1.385 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.697 4.923 1.374 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.178 4.087 -2.391 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.686 5.793 -2.376 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.972 5.064 -0.918 1.00 0.00 H new ATOM 529 N ILE A 43 -5.968 5.993 1.938 1.00 0.00 N ATOM 530 CA ILE A 43 -6.683 7.019 2.676 1.00 0.00 C ATOM 531 C ILE A 43 -5.778 7.848 3.544 1.00 0.00 C ATOM 532 O ILE A 43 -6.049 9.029 3.756 1.00 0.00 O ATOM 533 CB ILE A 43 -7.835 6.498 3.552 1.00 0.00 C ATOM 534 CG1 ILE A 43 -7.368 5.382 4.493 1.00 0.00 C ATOM 535 CG2 ILE A 43 -9.014 6.054 2.709 1.00 0.00 C ATOM 536 CD1 ILE A 43 -7.407 4.021 3.920 1.00 0.00 C ATOM 0 H ILE A 43 -5.586 5.243 2.514 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.112 7.632 1.883 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.170 7.328 4.174 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.347 5.597 4.808 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.989 5.400 5.389 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.810 5.692 3.359 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.380 6.897 2.122 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.701 5.254 2.038 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.058 3.303 4.663 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.429 3.777 3.632 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.762 3.977 3.042 1.00 0.00 H new ATOM 548 N ASP A 44 -4.720 7.250 4.056 1.00 0.00 N ATOM 549 CA ASP A 44 -3.817 7.964 4.936 1.00 0.00 C ATOM 550 C ASP A 44 -2.429 7.444 4.733 1.00 0.00 C ATOM 551 O ASP A 44 -2.255 6.334 4.238 1.00 0.00 O ATOM 552 CB ASP A 44 -4.223 7.812 6.400 1.00 0.00 C ATOM 553 CG ASP A 44 -3.467 8.750 7.321 1.00 0.00 C ATOM 554 OD1 ASP A 44 -3.245 8.398 8.489 1.00 0.00 O ATOM 555 OD2 ASP A 44 -3.086 9.861 6.878 1.00 0.00 O1- ATOM 0 H ASP A 44 -4.466 6.278 3.879 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.861 9.025 4.692 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.292 7.999 6.497 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.050 6.783 6.715 1.00 0.00 H new ATOM 560 N GLN A 45 -1.464 8.226 5.071 1.00 0.00 N ATOM 561 CA GLN A 45 -0.102 7.860 4.893 1.00 0.00 C ATOM 562 C GLN A 45 0.702 8.249 6.097 1.00 0.00 C ATOM 563 O GLN A 45 0.391 9.234 6.774 1.00 0.00 O ATOM 564 CB GLN A 45 0.494 8.541 3.657 1.00 0.00 C ATOM 565 CG GLN A 45 0.437 10.066 3.680 1.00 0.00 C ATOM 566 CD GLN A 45 1.244 10.691 2.571 1.00 0.00 C ATOM 567 OE1 GLN A 45 2.250 10.133 2.126 1.00 0.00 O ATOM 568 NE2 GLN A 45 0.838 11.843 2.122 1.00 0.00 N ATOM 0 H GLN A 45 -1.600 9.149 5.484 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.065 6.779 4.756 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.534 8.231 3.554 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.034 8.184 2.772 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.601 10.389 3.596 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.806 10.426 4.641 1.00 0.00 H new ATOM 0 HE21 GLN A 45 0.001 12.277 2.513 1.00 0.00 H new ATOM 0 HE22 GLN A 45 1.356 12.312 1.379 1.00 0.00 H new ATOM 577 N THR A 46 1.675 7.470 6.394 1.00 0.00 N ATOM 578 CA THR A 46 2.637 7.806 7.371 1.00 0.00 C ATOM 579 C THR A 46 3.940 7.948 6.618 1.00 0.00 C ATOM 580 O THR A 46 3.923 7.980 5.375 1.00 0.00 O ATOM 581 CB THR A 46 2.750 6.728 8.470 1.00 0.00 C ATOM 582 OG1 THR A 46 3.017 5.444 7.906 1.00 0.00 O ATOM 583 CG2 THR A 46 1.496 6.659 9.316 1.00 0.00 C ATOM 0 H THR A 46 1.827 6.562 5.954 1.00 0.00 H new ATOM 0 HA THR A 46 2.361 8.723 7.892 1.00 0.00 H new ATOM 0 HB THR A 46 3.584 7.016 9.110 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.521 5.346 7.067 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.613 5.889 10.078 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.328 7.623 9.797 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.643 6.416 8.683 1.00 0.00 H new ATOM 591 N SER A 47 5.044 8.035 7.291 1.00 0.00 N ATOM 592 CA SER A 47 6.287 8.155 6.595 1.00 0.00 C ATOM 593 C SER A 47 6.707 6.800 6.031 1.00 0.00 C ATOM 594 O SER A 47 7.403 6.734 5.014 1.00 0.00 O ATOM 595 CB SER A 47 7.376 8.741 7.506 1.00 0.00 C ATOM 596 OG SER A 47 8.575 9.019 6.783 1.00 0.00 O ATOM 0 H SER A 47 5.111 8.026 8.309 1.00 0.00 H new ATOM 0 HA SER A 47 6.153 8.846 5.763 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.009 9.657 7.969 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.592 8.040 8.313 1.00 0.00 H new ATOM 0 HG SER A 47 9.246 9.392 7.393 1.00 0.00 H new ATOM 602 N ASP A 48 6.265 5.735 6.673 1.00 0.00 N ATOM 603 CA ASP A 48 6.653 4.389 6.260 1.00 0.00 C ATOM 604 C ASP A 48 5.535 3.697 5.523 1.00 0.00 C ATOM 605 O ASP A 48 5.748 3.097 4.487 1.00 0.00 O ATOM 606 CB ASP A 48 7.025 3.496 7.466 1.00 0.00 C ATOM 607 CG ASP A 48 8.161 4.007 8.317 1.00 0.00 C ATOM 608 OD1 ASP A 48 7.901 4.785 9.262 1.00 0.00 O ATOM 609 OD2 ASP A 48 9.318 3.615 8.111 1.00 0.00 O1- ATOM 0 H ASP A 48 5.640 5.769 7.479 1.00 0.00 H new ATOM 0 HA ASP A 48 7.519 4.519 5.612 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.144 3.379 8.097 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.286 2.504 7.097 1.00 0.00 H new ATOM 614 N GLN A 49 4.338 3.818 6.038 1.00 0.00 N ATOM 615 CA GLN A 49 3.233 3.002 5.578 1.00 0.00 C ATOM 616 C GLN A 49 2.083 3.788 5.046 1.00 0.00 C ATOM 617 O GLN A 49 2.010 5.006 5.194 1.00 0.00 O ATOM 618 CB GLN A 49 2.796 2.054 6.684 1.00 0.00 C ATOM 619 CG GLN A 49 3.758 0.910 6.851 1.00 0.00 C ATOM 620 CD GLN A 49 3.510 0.075 8.061 1.00 0.00 C ATOM 621 OE1 GLN A 49 2.389 -0.027 8.554 1.00 0.00 O ATOM 622 NE2 GLN A 49 4.545 -0.546 8.537 1.00 0.00 N ATOM 0 H GLN A 49 4.099 4.476 6.780 1.00 0.00 H new ATOM 0 HA GLN A 49 3.598 2.425 4.728 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.717 2.602 7.623 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.803 1.664 6.458 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.706 0.274 5.967 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.772 1.307 6.899 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.457 -0.431 8.094 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.447 -1.149 9.354 1.00 0.00 H new ATOM 631 N TYR A 50 1.195 3.084 4.409 1.00 0.00 N ATOM 632 CA TYR A 50 0.045 3.669 3.800 1.00 0.00 C ATOM 633 C TYR A 50 -1.189 2.931 4.240 1.00 0.00 C ATOM 634 O TYR A 50 -1.216 1.698 4.247 1.00 0.00 O ATOM 635 CB TYR A 50 0.191 3.641 2.274 1.00 0.00 C ATOM 636 CG TYR A 50 1.354 4.470 1.782 1.00 0.00 C ATOM 637 CD1 TYR A 50 1.175 5.808 1.520 1.00 0.00 C ATOM 638 CD2 TYR A 50 2.640 3.926 1.618 1.00 0.00 C ATOM 639 CE1 TYR A 50 2.218 6.598 1.112 1.00 0.00 C ATOM 640 CE2 TYR A 50 3.689 4.709 1.205 1.00 0.00 C ATOM 641 CZ TYR A 50 3.473 6.052 0.954 1.00 0.00 C ATOM 642 OH TYR A 50 4.511 6.851 0.522 1.00 0.00 O ATOM 0 H TYR A 50 1.253 2.072 4.298 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.046 4.709 4.112 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.321 2.610 1.945 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.729 4.008 1.819 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.194 6.244 1.638 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.805 2.878 1.820 1.00 0.00 H new ATOM 0 HE1 TYR A 50 2.056 7.647 0.915 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.672 4.281 1.077 1.00 0.00 H new ATOM 0 HH TYR A 50 5.357 6.511 0.881 1.00 0.00 H new ATOM 652 N LEU A 51 -2.184 3.673 4.650 1.00 0.00 N ATOM 653 CA LEU A 51 -3.428 3.108 5.086 1.00 0.00 C ATOM 654 C LEU A 51 -4.249 2.915 3.862 1.00 0.00 C ATOM 655 O LEU A 51 -4.512 3.884 3.126 1.00 0.00 O ATOM 656 CB LEU A 51 -4.161 4.048 6.053 1.00 0.00 C ATOM 657 CG LEU A 51 -5.401 3.479 6.744 1.00 0.00 C ATOM 658 CD1 LEU A 51 -5.051 2.283 7.595 1.00 0.00 C ATOM 659 CD2 LEU A 51 -6.075 4.543 7.575 1.00 0.00 C ATOM 0 H LEU A 51 -2.151 4.692 4.690 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.255 2.172 5.617 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.456 4.365 6.822 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.456 4.942 5.503 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.095 3.147 5.972 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.953 1.900 8.073 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.615 1.505 6.968 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.332 2.578 8.359 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.956 4.122 8.060 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.381 4.906 8.333 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.375 5.371 6.932 1.00 0.00 H new ATOM 671 N ILE A 52 -4.580 1.698 3.584 1.00 0.00 N ATOM 672 CA ILE A 52 -5.321 1.380 2.391 1.00 0.00 C ATOM 673 C ILE A 52 -6.720 0.930 2.749 1.00 0.00 C ATOM 674 O ILE A 52 -6.887 0.104 3.641 1.00 0.00 O ATOM 675 CB ILE A 52 -4.618 0.268 1.581 1.00 0.00 C ATOM 676 CG1 ILE A 52 -3.107 0.544 1.497 1.00 0.00 C ATOM 677 CG2 ILE A 52 -5.215 0.170 0.181 1.00 0.00 C ATOM 678 CD1 ILE A 52 -2.767 1.851 0.848 1.00 0.00 C ATOM 0 H ILE A 52 -4.350 0.894 4.168 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.372 2.281 1.779 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.773 -0.683 2.091 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.688 0.528 2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.630 -0.263 0.940 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.708 -0.618 -0.376 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.277 -0.063 0.254 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.086 1.121 -0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.684 1.975 0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.155 1.863 -0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.214 2.667 1.417 1.00 0.00 H new ATOM 690 N ARG A 53 -7.701 1.488 2.084 1.00 0.00 N ATOM 691 CA ARG A 53 -9.067 1.111 2.275 1.00 0.00 C ATOM 692 C ARG A 53 -9.503 0.280 1.105 1.00 0.00 C ATOM 693 O ARG A 53 -9.468 0.729 -0.044 1.00 0.00 O ATOM 694 CB ARG A 53 -9.994 2.323 2.456 1.00 0.00 C ATOM 695 CG ARG A 53 -11.452 1.931 2.609 1.00 0.00 C ATOM 696 CD ARG A 53 -12.306 3.096 3.026 1.00 0.00 C ATOM 697 NE ARG A 53 -12.193 3.404 4.464 1.00 0.00 N ATOM 698 CZ ARG A 53 -13.023 4.221 5.147 1.00 0.00 C ATOM 699 NH1 ARG A 53 -13.940 4.938 4.510 1.00 0.00 N1+ ATOM 700 NH2 ARG A 53 -12.917 4.337 6.461 1.00 0.00 N ATOM 0 H ARG A 53 -7.566 2.223 1.390 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.138 0.534 3.197 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.680 2.887 3.335 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.889 2.986 1.597 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.821 1.530 1.665 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.538 1.135 3.349 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -12.021 3.975 2.448 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -13.347 2.881 2.786 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.430 2.967 4.981 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -14.023 4.875 3.495 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.562 5.552 5.035 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.205 3.807 6.964 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.547 4.956 6.971 1.00 0.00 H new ATOM 714 N PHE A 54 -9.863 -0.922 1.389 1.00 0.00 N ATOM 715 CA PHE A 54 -10.284 -1.862 0.386 1.00 0.00 C ATOM 716 C PHE A 54 -11.774 -1.732 0.161 1.00 0.00 C ATOM 717 O PHE A 54 -12.449 -0.985 0.879 1.00 0.00 O ATOM 718 CB PHE A 54 -9.913 -3.276 0.814 1.00 0.00 C ATOM 719 CG PHE A 54 -8.427 -3.464 0.999 1.00 0.00 C ATOM 720 CD1 PHE A 54 -7.808 -3.137 2.199 1.00 0.00 C ATOM 721 CD2 PHE A 54 -7.649 -3.945 -0.034 1.00 0.00 C ATOM 722 CE1 PHE A 54 -6.446 -3.289 2.357 1.00 0.00 C ATOM 723 CE2 PHE A 54 -6.289 -4.103 0.122 1.00 0.00 C ATOM 724 CZ PHE A 54 -5.687 -3.772 1.317 1.00 0.00 C ATOM 0 H PHE A 54 -9.877 -1.295 2.338 1.00 0.00 H new ATOM 0 HA PHE A 54 -9.776 -1.648 -0.554 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.423 -3.513 1.748 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.273 -3.983 0.066 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.401 -2.759 3.019 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -8.111 -4.201 -0.976 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.977 -3.029 3.295 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.694 -4.487 -0.693 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.620 -3.892 1.436 1.00 0.00 H new ATOM 734 N ASP A 55 -12.299 -2.480 -0.798 1.00 0.00 N ATOM 735 CA ASP A 55 -13.716 -2.376 -1.177 1.00 0.00 C ATOM 736 C ASP A 55 -14.644 -2.800 -0.051 1.00 0.00 C ATOM 737 O ASP A 55 -15.776 -2.330 0.051 1.00 0.00 O ATOM 738 CB ASP A 55 -14.020 -3.182 -2.439 1.00 0.00 C ATOM 739 CG ASP A 55 -15.458 -3.030 -2.896 1.00 0.00 C ATOM 740 OD1 ASP A 55 -15.789 -1.997 -3.526 1.00 0.00 O ATOM 741 OD2 ASP A 55 -16.273 -3.952 -2.671 1.00 0.00 O1- ATOM 0 H ASP A 55 -11.771 -3.169 -1.334 1.00 0.00 H new ATOM 0 HA ASP A 55 -13.901 -1.322 -1.385 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -13.353 -2.862 -3.239 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -13.812 -4.235 -2.252 1.00 0.00 H new ATOM 746 N ASP A 56 -14.144 -3.640 0.834 1.00 0.00 N ATOM 747 CA ASP A 56 -14.945 -4.123 1.954 1.00 0.00 C ATOM 748 C ASP A 56 -14.829 -3.156 3.142 1.00 0.00 C ATOM 749 O ASP A 56 -15.207 -3.473 4.259 1.00 0.00 O ATOM 750 CB ASP A 56 -14.551 -5.565 2.350 1.00 0.00 C ATOM 751 CG ASP A 56 -13.263 -5.697 3.136 1.00 0.00 C ATOM 752 OD1 ASP A 56 -13.190 -6.579 4.021 1.00 0.00 O ATOM 753 OD2 ASP A 56 -12.317 -4.916 2.924 1.00 0.00 O1- ATOM 0 H ASP A 56 -13.192 -4.004 0.804 1.00 0.00 H new ATOM 0 HA ASP A 56 -15.989 -4.156 1.643 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.361 -5.996 2.939 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.465 -6.162 1.442 1.00 0.00 H new ATOM 758 N GLN A 57 -14.303 -1.958 2.842 1.00 0.00 N ATOM 759 CA GLN A 57 -14.173 -0.810 3.759 1.00 0.00 C ATOM 760 C GLN A 57 -13.108 -1.000 4.830 1.00 0.00 C ATOM 761 O GLN A 57 -12.963 -0.162 5.727 1.00 0.00 O ATOM 762 CB GLN A 57 -15.524 -0.430 4.385 1.00 0.00 C ATOM 763 CG GLN A 57 -16.615 -0.067 3.374 1.00 0.00 C ATOM 764 CD GLN A 57 -16.324 1.190 2.555 1.00 0.00 C ATOM 765 OE1 GLN A 57 -15.174 1.538 2.270 1.00 0.00 O ATOM 766 NE2 GLN A 57 -17.360 1.884 2.188 1.00 0.00 N ATOM 0 H GLN A 57 -13.940 -1.752 1.912 1.00 0.00 H new ATOM 0 HA GLN A 57 -13.834 0.020 3.140 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -15.874 -1.263 4.994 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -15.374 0.415 5.057 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -16.755 -0.906 2.692 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -17.556 0.071 3.907 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -18.298 1.571 2.438 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -17.235 2.741 1.650 1.00 0.00 H new ATOM 775 N SER A 58 -12.338 -2.052 4.710 1.00 0.00 N ATOM 776 CA SER A 58 -11.279 -2.316 5.646 1.00 0.00 C ATOM 777 C SER A 58 -10.107 -1.389 5.377 1.00 0.00 C ATOM 778 O SER A 58 -9.759 -1.143 4.218 1.00 0.00 O ATOM 779 CB SER A 58 -10.838 -3.758 5.521 1.00 0.00 C ATOM 780 OG SER A 58 -11.951 -4.622 5.652 1.00 0.00 O ATOM 0 H SER A 58 -12.428 -2.744 3.966 1.00 0.00 H new ATOM 0 HA SER A 58 -11.642 -2.139 6.658 1.00 0.00 H new ATOM 0 HB2 SER A 58 -10.357 -3.916 4.556 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.098 -3.987 6.288 1.00 0.00 H new ATOM 0 HG SER A 58 -11.683 -5.537 5.426 1.00 0.00 H new ATOM 786 N GLU A 59 -9.527 -0.875 6.427 1.00 0.00 N ATOM 787 CA GLU A 59 -8.385 -0.014 6.321 1.00 0.00 C ATOM 788 C GLU A 59 -7.205 -0.720 6.965 1.00 0.00 C ATOM 789 O GLU A 59 -7.287 -1.150 8.112 1.00 0.00 O ATOM 790 CB GLU A 59 -8.632 1.301 7.039 1.00 0.00 C ATOM 791 CG GLU A 59 -9.755 2.120 6.458 1.00 0.00 C ATOM 792 CD GLU A 59 -10.031 3.357 7.255 1.00 0.00 C ATOM 793 OE1 GLU A 59 -9.401 4.382 7.028 1.00 0.00 O ATOM 794 OE2 GLU A 59 -10.937 3.328 8.107 1.00 0.00 O1- ATOM 0 H GLU A 59 -9.836 -1.044 7.384 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.188 0.202 5.271 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.852 1.094 8.086 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.717 1.892 7.016 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.506 2.399 5.434 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.658 1.512 6.412 1.00 0.00 H new ATOM 801 N GLN A 60 -6.139 -0.858 6.245 1.00 0.00 N ATOM 802 CA GLN A 60 -4.970 -1.558 6.753 1.00 0.00 C ATOM 803 C GLN A 60 -3.713 -0.765 6.438 1.00 0.00 C ATOM 804 O GLN A 60 -3.622 -0.162 5.366 1.00 0.00 O ATOM 805 CB GLN A 60 -4.897 -2.964 6.114 1.00 0.00 C ATOM 806 CG GLN A 60 -3.702 -3.813 6.551 1.00 0.00 C ATOM 807 CD GLN A 60 -3.654 -5.192 5.892 1.00 0.00 C ATOM 808 OE1 GLN A 60 -3.145 -6.147 6.471 1.00 0.00 O ATOM 809 NE2 GLN A 60 -4.171 -5.310 4.690 1.00 0.00 N ATOM 0 H GLN A 60 -6.039 -0.498 5.296 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.049 -1.663 7.835 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.813 -3.503 6.354 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.867 -2.853 5.030 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.782 -3.277 6.318 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.733 -3.938 7.633 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.588 -4.499 4.232 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.156 -6.212 4.215 1.00 0.00 H new ATOM 818 N TRP A 61 -2.745 -0.774 7.342 1.00 0.00 N ATOM 819 CA TRP A 61 -1.483 -0.093 7.099 1.00 0.00 C ATOM 820 C TRP A 61 -0.566 -1.051 6.414 1.00 0.00 C ATOM 821 O TRP A 61 -0.118 -2.040 6.998 1.00 0.00 O ATOM 822 CB TRP A 61 -0.833 0.417 8.396 1.00 0.00 C ATOM 823 CG TRP A 61 -1.522 1.596 8.980 1.00 0.00 C ATOM 824 CD1 TRP A 61 -2.401 1.613 10.015 1.00 0.00 C ATOM 825 CD2 TRP A 61 -1.404 2.944 8.531 1.00 0.00 C ATOM 826 NE1 TRP A 61 -2.830 2.894 10.240 1.00 0.00 N ATOM 827 CE2 TRP A 61 -2.237 3.725 9.336 1.00 0.00 C ATOM 828 CE3 TRP A 61 -0.675 3.565 7.520 1.00 0.00 C ATOM 829 CZ2 TRP A 61 -2.365 5.089 9.161 1.00 0.00 C ATOM 830 CZ3 TRP A 61 -0.812 4.925 7.350 1.00 0.00 C ATOM 831 CH2 TRP A 61 -1.649 5.665 8.162 1.00 0.00 C ATOM 0 H TRP A 61 -2.809 -1.243 8.246 1.00 0.00 H new ATOM 0 HA TRP A 61 -1.674 0.783 6.479 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -0.824 -0.389 9.130 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.206 0.676 8.195 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.715 0.746 10.577 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.487 3.180 10.966 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -0.017 2.993 6.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.012 5.676 9.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -0.256 5.421 6.569 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -1.736 6.729 7.998 1.00 0.00 H new ATOM 842 N CYS A 62 -0.326 -0.775 5.178 1.00 0.00 N ATOM 843 CA CYS A 62 0.430 -1.633 4.345 1.00 0.00 C ATOM 844 C CYS A 62 1.757 -0.987 4.014 1.00 0.00 C ATOM 845 O CYS A 62 1.852 0.251 3.895 1.00 0.00 O ATOM 846 CB CYS A 62 -0.369 -1.910 3.080 1.00 0.00 C ATOM 847 SG CYS A 62 -2.070 -2.447 3.414 1.00 0.00 S ATOM 0 H CYS A 62 -0.658 0.070 4.713 1.00 0.00 H new ATOM 0 HA CYS A 62 0.631 -2.575 4.855 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.393 -1.008 2.468 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.140 -2.678 2.497 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.670 -1.558 4.148 1.00 0.00 H new ATOM 853 N GLU A 63 2.762 -1.803 3.901 1.00 0.00 N ATOM 854 CA GLU A 63 4.100 -1.372 3.579 1.00 0.00 C ATOM 855 C GLU A 63 4.201 -0.994 2.120 1.00 0.00 C ATOM 856 O GLU A 63 3.495 -1.552 1.283 1.00 0.00 O ATOM 857 CB GLU A 63 5.055 -2.489 3.897 1.00 0.00 C ATOM 858 CG GLU A 63 5.081 -2.807 5.354 1.00 0.00 C ATOM 859 CD GLU A 63 5.517 -4.213 5.614 1.00 0.00 C ATOM 860 OE1 GLU A 63 4.838 -5.147 5.142 1.00 0.00 O ATOM 861 OE2 GLU A 63 6.542 -4.430 6.305 1.00 0.00 O1- ATOM 0 H GLU A 63 2.678 -2.811 4.032 1.00 0.00 H new ATOM 0 HA GLU A 63 4.351 -0.491 4.170 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.770 -3.380 3.337 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.057 -2.213 3.569 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.756 -2.119 5.863 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.088 -2.652 5.777 1.00 0.00 H new ATOM 868 N PRO A 64 5.100 -0.065 1.784 1.00 0.00 N ATOM 869 CA PRO A 64 5.269 0.414 0.415 1.00 0.00 C ATOM 870 C PRO A 64 5.742 -0.692 -0.529 1.00 0.00 C ATOM 871 O PRO A 64 5.502 -0.638 -1.729 1.00 0.00 O ATOM 872 CB PRO A 64 6.285 1.556 0.541 1.00 0.00 C ATOM 873 CG PRO A 64 6.996 1.306 1.825 1.00 0.00 C ATOM 874 CD PRO A 64 6.019 0.598 2.722 1.00 0.00 C ATOM 0 HA PRO A 64 4.331 0.750 -0.026 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.979 1.560 -0.299 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.788 2.526 0.548 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.886 0.698 1.664 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.327 2.242 2.274 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.519 -0.123 3.369 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.492 1.297 3.371 1.00 0.00 H new ATOM 882 N ASP A 65 6.373 -1.719 0.036 1.00 0.00 N ATOM 883 CA ASP A 65 6.801 -2.889 -0.730 1.00 0.00 C ATOM 884 C ASP A 65 5.609 -3.776 -1.099 1.00 0.00 C ATOM 885 O ASP A 65 5.727 -4.672 -1.923 1.00 0.00 O ATOM 886 CB ASP A 65 7.865 -3.719 0.010 1.00 0.00 C ATOM 887 CG ASP A 65 7.387 -4.344 1.312 1.00 0.00 C ATOM 888 OD1 ASP A 65 7.588 -3.732 2.378 1.00 0.00 O ATOM 889 OD2 ASP A 65 6.856 -5.465 1.299 1.00 0.00 O1- ATOM 0 H ASP A 65 6.601 -1.765 1.029 1.00 0.00 H new ATOM 0 HA ASP A 65 7.256 -2.507 -1.644 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.214 -4.512 -0.652 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.723 -3.080 0.222 1.00 0.00 H new ATOM 894 N LYS A 66 4.469 -3.517 -0.491 1.00 0.00 N ATOM 895 CA LYS A 66 3.268 -4.291 -0.756 1.00 0.00 C ATOM 896 C LYS A 66 2.404 -3.599 -1.778 1.00 0.00 C ATOM 897 O LYS A 66 1.536 -4.207 -2.383 1.00 0.00 O ATOM 898 CB LYS A 66 2.450 -4.482 0.520 1.00 0.00 C ATOM 899 CG LYS A 66 3.161 -5.224 1.623 1.00 0.00 C ATOM 900 CD LYS A 66 3.640 -6.572 1.151 1.00 0.00 C ATOM 901 CE LYS A 66 4.154 -7.395 2.291 1.00 0.00 C ATOM 902 NZ LYS A 66 5.263 -6.726 3.004 1.00 0.00 N1+ ATOM 0 H LYS A 66 4.347 -2.772 0.195 1.00 0.00 H new ATOM 0 HA LYS A 66 3.584 -5.262 -1.136 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.152 -3.502 0.894 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.535 -5.020 0.271 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.009 -4.636 1.973 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.489 -5.351 2.472 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.823 -7.099 0.658 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.428 -6.441 0.409 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.341 -7.593 2.990 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.494 -8.360 1.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.893 -7.443 3.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.800 -6.137 2.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.877 -6.127 3.761 1.00 0.00 H new ATOM 916 N LEU A 67 2.660 -2.348 -1.970 1.00 0.00 N ATOM 917 CA LEU A 67 1.869 -1.524 -2.831 1.00 0.00 C ATOM 918 C LEU A 67 2.469 -1.474 -4.207 1.00 0.00 C ATOM 919 O LEU A 67 3.697 -1.475 -4.354 1.00 0.00 O ATOM 920 CB LEU A 67 1.794 -0.122 -2.247 1.00 0.00 C ATOM 921 CG LEU A 67 1.021 0.022 -0.948 1.00 0.00 C ATOM 922 CD1 LEU A 67 1.781 0.847 0.046 1.00 0.00 C ATOM 923 CD2 LEU A 67 -0.261 0.690 -1.223 1.00 0.00 C ATOM 0 H LEU A 67 3.437 -1.858 -1.527 1.00 0.00 H new ATOM 0 HA LEU A 67 0.867 -1.945 -2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.810 0.236 -2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.341 0.535 -2.990 1.00 0.00 H new ATOM 0 HG LEU A 67 0.862 -0.973 -0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.203 0.933 0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.736 0.368 0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.958 1.841 -0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.822 0.797 -0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.074 1.675 -1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.838 0.093 -1.929 1.00 0.00 H new ATOM 935 N ARG A 68 1.622 -1.463 -5.203 1.00 0.00 N ATOM 936 CA ARG A 68 2.037 -1.342 -6.593 1.00 0.00 C ATOM 937 C ARG A 68 1.125 -0.334 -7.268 1.00 0.00 C ATOM 938 O ARG A 68 -0.100 -0.395 -7.067 1.00 0.00 O ATOM 939 CB ARG A 68 1.900 -2.694 -7.317 1.00 0.00 C ATOM 940 CG ARG A 68 2.673 -3.844 -6.681 1.00 0.00 C ATOM 941 CD ARG A 68 4.173 -3.626 -6.712 1.00 0.00 C ATOM 942 NE ARG A 68 4.694 -3.512 -8.076 1.00 0.00 N ATOM 943 CZ ARG A 68 5.940 -3.141 -8.383 1.00 0.00 C ATOM 944 NH1 ARG A 68 6.813 -2.906 -7.424 1.00 0.00 N1+ ATOM 945 NH2 ARG A 68 6.304 -3.018 -9.647 1.00 0.00 N ATOM 0 H ARG A 68 0.612 -1.538 -5.080 1.00 0.00 H new ATOM 0 HA ARG A 68 3.079 -1.025 -6.636 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.844 -2.963 -7.357 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.237 -2.574 -8.347 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.349 -3.967 -5.648 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.433 -4.770 -7.203 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.417 -2.721 -6.156 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.668 -4.454 -6.205 1.00 0.00 H new ATOM 0 HE ARG A 68 4.061 -3.731 -8.845 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.537 -3.007 -6.447 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.764 -2.623 -7.659 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.633 -3.206 -10.392 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.256 -2.735 -9.878 1.00 0.00 H new ATOM 959 N LYS A 69 1.689 0.599 -8.037 1.00 0.00 N ATOM 960 CA LYS A 69 0.864 1.573 -8.741 1.00 0.00 C ATOM 961 C LYS A 69 0.169 0.916 -9.931 1.00 0.00 C ATOM 962 O LYS A 69 0.779 0.092 -10.621 1.00 0.00 O ATOM 963 CB LYS A 69 1.645 2.793 -9.259 1.00 0.00 C ATOM 964 CG LYS A 69 2.243 3.721 -8.209 1.00 0.00 C ATOM 965 CD LYS A 69 3.590 3.247 -7.727 1.00 0.00 C ATOM 966 CE LYS A 69 4.252 4.258 -6.789 1.00 0.00 C ATOM 967 NZ LYS A 69 4.517 5.574 -7.420 1.00 0.00 N1+ ATOM 0 H LYS A 69 2.693 0.698 -8.185 1.00 0.00 H new ATOM 0 HA LYS A 69 0.144 1.929 -8.004 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.454 2.434 -9.895 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.979 3.380 -9.891 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.341 4.723 -8.627 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.561 3.794 -7.362 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.475 2.294 -7.210 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.239 3.069 -8.584 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.613 4.405 -5.918 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.193 3.843 -6.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.168 6.121 -6.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.946 5.430 -8.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.623 6.095 -7.525 1.00 0.00 H new ATOM 981 N LEU A 70 -1.069 1.300 -10.204 1.00 0.00 N ATOM 982 CA LEU A 70 -1.819 0.726 -11.332 1.00 0.00 C ATOM 983 C LEU A 70 -1.376 1.384 -12.629 1.00 0.00 C ATOM 984 O LEU A 70 -1.336 0.752 -13.682 1.00 0.00 O ATOM 985 CB LEU A 70 -3.332 0.987 -11.197 1.00 0.00 C ATOM 986 CG LEU A 70 -4.000 0.689 -9.858 1.00 0.00 C ATOM 987 CD1 LEU A 70 -5.494 0.868 -9.967 1.00 0.00 C ATOM 988 CD2 LEU A 70 -3.681 -0.690 -9.372 1.00 0.00 C ATOM 0 H LEU A 70 -1.581 2.002 -9.669 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.624 -0.346 -11.333 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.511 2.036 -11.432 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.841 0.399 -11.961 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.605 1.397 -9.130 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.958 0.652 -9.004 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.717 1.895 -10.255 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.888 0.186 -10.721 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.176 -0.862 -8.416 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.032 -1.422 -10.099 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.603 -0.791 -9.246 1.00 0.00 H new