USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 376 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 GLN : amide:sc= -11! C(o=-15!,f=-6.7!) USER MOD Set 1.2: A 61 ASN : amide:sc= -3.97! C(o=-15!,f=-6.7!) USER MOD Set 2.1: A 18 CYS SG : rot 167:sc= 2.19 USER MOD Set 2.2: A 21 CYS SG : rot -32:sc= -0.893! USER MOD Set 2.3: A 39 CYS SG : rot 60:sc= 0.609 USER MOD Set 2.4: A 42 CYS SG : rot 124:sc= 0.538 USER MOD Set 3.1: A 33 CYS SG : rot 147:sc= -8.33! USER MOD Set 3.2: A 34 CYS SG : rot -49:sc= 0.95 USER MOD Set 3.3: A 36 ASN : amide:sc= -5.76! K(o=-10!,f=-4.2) USER MOD Set 3.4: A 38 TYR OH : rot -130:sc= 1.2 USER MOD Set 3.5: A 55 CYS SG : rot 70:sc= 0.588 USER MOD Set 3.6: A 57 THR OG1 : rot -131:sc= 0.124 USER MOD Set 3.7: A 58 CYS SG : rot -108:sc= 0.771 USER MOD Single : A 22 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.34) USER MOD Single : A 25 MET CE :methyl -171:sc= -8.48! (180deg=-8.55!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 25:sc= 0.289 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 78:sc= 0.522 USER MOD Single : A 53 HIS : no HD1:sc= -2.41 K(o=-2.4,f=-3.8!) USER MOD Single : A 54 THR OG1 : rot 11:sc= 0.11 USER MOD Single : A 59 HIS : no HD1:sc= -0.0396 X(o=-0.04,f=-0.4) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -51:sc= 0.55 USER MOD ----------------------------------------------------------------- ATOM 179 N LEU A 16 -0.361 -11.258 -3.979 1.00 0.00 N ATOM 180 CA LEU A 16 -0.738 -11.226 -2.571 1.00 0.00 C ATOM 181 C LEU A 16 0.211 -10.338 -1.772 1.00 0.00 C ATOM 182 O LEU A 16 -0.204 -9.642 -0.845 1.00 0.00 O ATOM 183 CB LEU A 16 -0.741 -12.641 -1.990 1.00 0.00 C ATOM 184 CG LEU A 16 -2.059 -13.410 -2.100 1.00 0.00 C ATOM 185 CD1 LEU A 16 -1.862 -14.866 -1.708 1.00 0.00 C ATOM 186 CD2 LEU A 16 -3.128 -12.761 -1.232 1.00 0.00 C ATOM 0 HA LEU A 16 -1.742 -10.809 -2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.036 -13.219 -2.490 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.466 -12.580 -0.937 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.392 -13.377 -3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.810 -15.397 -1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.129 -15.325 -2.371 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.506 -14.921 -0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.059 -13.321 -1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.803 -12.763 -0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.289 -11.734 -1.560 1.00 0.00 H new ATOM 198 N LEU A 17 1.488 -10.368 -2.139 1.00 0.00 N ATOM 199 CA LEU A 17 2.498 -9.564 -1.459 1.00 0.00 C ATOM 200 C LEU A 17 2.547 -8.152 -2.033 1.00 0.00 C ATOM 201 O LEU A 17 2.202 -7.929 -3.194 1.00 0.00 O ATOM 202 CB LEU A 17 3.871 -10.225 -1.582 1.00 0.00 C ATOM 203 CG LEU A 17 3.969 -11.669 -1.088 1.00 0.00 C ATOM 204 CD1 LEU A 17 5.335 -12.252 -1.410 1.00 0.00 C ATOM 205 CD2 LEU A 17 3.695 -11.740 0.408 1.00 0.00 C ATOM 0 H LEU A 17 1.848 -10.940 -2.903 1.00 0.00 H new ATOM 0 HA LEU A 17 2.226 -9.498 -0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.171 -10.200 -2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.592 -9.623 -1.029 1.00 0.00 H new ATOM 0 HG LEU A 17 3.214 -12.262 -1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.386 -13.280 -1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.492 -12.236 -2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.108 -11.659 -0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.769 -12.775 0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.427 -11.133 0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.693 -11.363 0.613 1.00 0.00 H new ATOM 217 N CYS A 18 2.979 -7.200 -1.213 1.00 0.00 N ATOM 218 CA CYS A 18 3.076 -5.809 -1.638 1.00 0.00 C ATOM 219 C CYS A 18 4.448 -5.518 -2.240 1.00 0.00 C ATOM 220 O CYS A 18 5.373 -6.324 -2.124 1.00 0.00 O ATOM 221 CB CYS A 18 2.817 -4.873 -0.457 1.00 0.00 C ATOM 222 SG CYS A 18 4.135 -4.880 0.801 1.00 0.00 S ATOM 0 H CYS A 18 3.268 -7.367 -0.249 1.00 0.00 H new ATOM 0 HA CYS A 18 2.319 -5.636 -2.403 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.693 -3.857 -0.833 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.876 -5.154 0.016 1.00 0.00 H new ATOM 0 HG CYS A 18 3.974 -3.871 1.604 1.00 0.00 H new ATOM 227 N LEU A 19 4.574 -4.361 -2.881 1.00 0.00 N ATOM 228 CA LEU A 19 5.833 -3.963 -3.501 1.00 0.00 C ATOM 229 C LEU A 19 6.630 -3.048 -2.576 1.00 0.00 C ATOM 230 O LEU A 19 7.395 -2.200 -3.036 1.00 0.00 O ATOM 231 CB LEU A 19 5.567 -3.257 -4.832 1.00 0.00 C ATOM 232 CG LEU A 19 4.515 -3.900 -5.735 1.00 0.00 C ATOM 233 CD1 LEU A 19 4.050 -2.917 -6.797 1.00 0.00 C ATOM 234 CD2 LEU A 19 5.067 -5.164 -6.381 1.00 0.00 C ATOM 0 H LEU A 19 3.820 -3.682 -2.985 1.00 0.00 H new ATOM 0 HA LEU A 19 6.420 -4.863 -3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.259 -2.233 -4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.505 -3.201 -5.384 1.00 0.00 H new ATOM 0 HG LEU A 19 3.656 -4.174 -5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.301 -3.393 -7.430 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.615 -2.041 -6.316 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.900 -2.611 -7.407 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.304 -5.609 -7.020 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.942 -4.914 -6.980 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.350 -5.875 -5.605 1.00 0.00 H new ATOM 246 N ILE A 20 6.446 -3.228 -1.273 1.00 0.00 N ATOM 247 CA ILE A 20 7.150 -2.420 -0.284 1.00 0.00 C ATOM 248 C ILE A 20 7.893 -3.300 0.715 1.00 0.00 C ATOM 249 O ILE A 20 9.115 -3.436 0.649 1.00 0.00 O ATOM 250 CB ILE A 20 6.182 -1.497 0.481 1.00 0.00 C ATOM 251 CG1 ILE A 20 5.594 -0.445 -0.461 1.00 0.00 C ATOM 252 CG2 ILE A 20 6.897 -0.831 1.647 1.00 0.00 C ATOM 253 CD1 ILE A 20 4.417 0.302 0.126 1.00 0.00 C ATOM 0 H ILE A 20 5.816 -3.926 -0.877 1.00 0.00 H new ATOM 0 HA ILE A 20 7.868 -1.807 -0.829 1.00 0.00 H new ATOM 0 HB ILE A 20 5.365 -2.100 0.877 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.373 0.270 -0.725 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.281 -0.931 -1.385 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.201 -0.182 2.178 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.272 -1.595 2.328 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.731 -0.238 1.272 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.052 1.031 -0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.621 -0.403 0.364 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.729 0.817 1.035 1.00 0.00 H new ATOM 265 N CYS A 21 7.148 -3.896 1.639 1.00 0.00 N ATOM 266 CA CYS A 21 7.734 -4.765 2.652 1.00 0.00 C ATOM 267 C CYS A 21 7.602 -6.231 2.254 1.00 0.00 C ATOM 268 O CYS A 21 8.139 -7.118 2.919 1.00 0.00 O ATOM 269 CB CYS A 21 7.062 -4.529 4.007 1.00 0.00 C ATOM 270 SG CYS A 21 5.376 -5.210 4.128 1.00 0.00 S ATOM 0 H CYS A 21 6.136 -3.793 1.707 1.00 0.00 H new ATOM 0 HA CYS A 21 8.794 -4.524 2.733 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.679 -4.972 4.789 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.024 -3.457 4.200 1.00 0.00 H new ATOM 0 HG CYS A 21 4.799 -5.148 2.965 1.00 0.00 H new ATOM 275 N LYS A 22 6.884 -6.481 1.164 1.00 0.00 N ATOM 276 CA LYS A 22 6.681 -7.839 0.675 1.00 0.00 C ATOM 277 C LYS A 22 6.003 -8.703 1.733 1.00 0.00 C ATOM 278 O LYS A 22 6.492 -9.780 2.075 1.00 0.00 O ATOM 279 CB LYS A 22 8.020 -8.464 0.272 1.00 0.00 C ATOM 280 CG LYS A 22 8.747 -7.694 -0.817 1.00 0.00 C ATOM 281 CD LYS A 22 8.085 -7.883 -2.171 1.00 0.00 C ATOM 282 CE LYS A 22 8.773 -8.971 -2.980 1.00 0.00 C ATOM 283 NZ LYS A 22 8.249 -10.325 -2.648 1.00 0.00 N ATOM 0 H LYS A 22 6.433 -5.759 0.602 1.00 0.00 H new ATOM 0 HA LYS A 22 6.032 -7.790 -0.199 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.661 -8.527 1.151 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.847 -9.484 -0.070 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.764 -6.634 -0.564 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.784 -8.026 -0.868 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.035 -8.141 -2.031 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.112 -6.944 -2.725 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.631 -8.777 -4.043 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.846 -8.941 -2.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.532 -10.998 -3.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.637 -10.633 -1.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.211 -10.291 -2.590 1.00 0.00 H new ATOM 297 N ASP A 23 4.874 -8.226 2.246 1.00 0.00 N ATOM 298 CA ASP A 23 4.127 -8.956 3.263 1.00 0.00 C ATOM 299 C ASP A 23 2.671 -9.134 2.846 1.00 0.00 C ATOM 300 O ASP A 23 2.073 -8.237 2.249 1.00 0.00 O ATOM 301 CB ASP A 23 4.201 -8.224 4.604 1.00 0.00 C ATOM 302 CG ASP A 23 3.416 -8.929 5.693 1.00 0.00 C ATOM 303 OD1 ASP A 23 3.251 -10.163 5.599 1.00 0.00 O ATOM 304 OD2 ASP A 23 2.966 -8.246 6.637 1.00 0.00 O ATOM 0 H ASP A 23 4.456 -7.336 1.974 1.00 0.00 H new ATOM 0 HA ASP A 23 4.578 -9.943 3.371 1.00 0.00 H new ATOM 0 HB2 ASP A 23 5.244 -8.137 4.910 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.819 -7.210 4.483 1.00 0.00 H new ATOM 309 N ILE A 24 2.108 -10.295 3.162 1.00 0.00 N ATOM 310 CA ILE A 24 0.722 -10.589 2.819 1.00 0.00 C ATOM 311 C ILE A 24 -0.181 -9.394 3.105 1.00 0.00 C ATOM 312 O ILE A 24 -0.306 -8.958 4.249 1.00 0.00 O ATOM 313 CB ILE A 24 0.198 -11.812 3.595 1.00 0.00 C ATOM 314 CG1 ILE A 24 1.059 -13.041 3.297 1.00 0.00 C ATOM 315 CG2 ILE A 24 -1.257 -12.080 3.241 1.00 0.00 C ATOM 316 CD1 ILE A 24 2.222 -13.210 4.251 1.00 0.00 C ATOM 0 H ILE A 24 2.590 -11.047 3.655 1.00 0.00 H new ATOM 0 HA ILE A 24 0.701 -10.809 1.752 1.00 0.00 H new ATOM 0 HB ILE A 24 0.259 -11.599 4.662 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.433 -13.932 3.339 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.442 -12.968 2.279 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.613 -12.947 3.797 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.861 -11.210 3.500 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.341 -12.275 2.172 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.788 -14.101 3.980 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.871 -12.336 4.192 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.846 -13.315 5.269 1.00 0.00 H new ATOM 328 N MET A 25 -0.809 -8.870 2.057 1.00 0.00 N ATOM 329 CA MET A 25 -1.704 -7.727 2.197 1.00 0.00 C ATOM 330 C MET A 25 -3.116 -8.181 2.550 1.00 0.00 C ATOM 331 O MET A 25 -3.948 -8.401 1.670 1.00 0.00 O ATOM 332 CB MET A 25 -1.727 -6.910 0.904 1.00 0.00 C ATOM 333 CG MET A 25 -0.347 -6.483 0.429 1.00 0.00 C ATOM 334 SD MET A 25 -0.361 -5.833 -1.252 1.00 0.00 S ATOM 335 CE MET A 25 -0.677 -7.326 -2.190 1.00 0.00 C ATOM 0 H MET A 25 -0.715 -9.218 1.103 1.00 0.00 H new ATOM 0 HA MET A 25 -1.330 -7.102 3.008 1.00 0.00 H new ATOM 0 HB2 MET A 25 -2.206 -7.498 0.121 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.341 -6.022 1.056 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.047 -5.724 1.105 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.330 -7.336 0.479 1.00 0.00 H new ATOM 0 HE1 MET A 25 -0.556 -7.120 -3.254 1.00 0.00 H new ATOM 0 HE2 MET A 25 0.028 -8.101 -1.888 1.00 0.00 H new ATOM 0 HE3 MET A 25 -1.695 -7.667 -2.000 1.00 0.00 H new ATOM 345 N THR A 26 -3.381 -8.323 3.846 1.00 0.00 N ATOM 346 CA THR A 26 -4.691 -8.753 4.316 1.00 0.00 C ATOM 347 C THR A 26 -5.795 -7.862 3.756 1.00 0.00 C ATOM 348 O THR A 26 -6.891 -8.334 3.450 1.00 0.00 O ATOM 349 CB THR A 26 -4.768 -8.740 5.854 1.00 0.00 C ATOM 350 OG1 THR A 26 -6.078 -9.133 6.282 1.00 0.00 O ATOM 351 CG2 THR A 26 -4.444 -7.360 6.401 1.00 0.00 C ATOM 0 H THR A 26 -2.704 -8.146 4.588 1.00 0.00 H new ATOM 0 HA THR A 26 -4.835 -9.773 3.961 1.00 0.00 H new ATOM 0 HB THR A 26 -4.033 -9.447 6.238 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.119 -9.124 7.261 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.505 -7.376 7.489 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.436 -7.076 6.098 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.158 -6.636 6.008 1.00 0.00 H new ATOM 359 N ASP A 27 -5.499 -6.575 3.623 1.00 0.00 N ATOM 360 CA ASP A 27 -6.467 -5.618 3.097 1.00 0.00 C ATOM 361 C ASP A 27 -5.881 -4.842 1.922 1.00 0.00 C ATOM 362 O ASP A 27 -6.021 -3.622 1.839 1.00 0.00 O ATOM 363 CB ASP A 27 -6.907 -4.649 4.196 1.00 0.00 C ATOM 364 CG ASP A 27 -8.246 -4.004 3.898 1.00 0.00 C ATOM 365 OD1 ASP A 27 -9.165 -4.724 3.456 1.00 0.00 O ATOM 366 OD2 ASP A 27 -8.374 -2.780 4.107 1.00 0.00 O ATOM 0 H ASP A 27 -4.597 -6.169 3.872 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.336 -6.174 2.744 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.967 -5.183 5.144 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.152 -3.872 4.315 1.00 0.00 H new ATOM 371 N ALA A 28 -5.225 -5.559 1.015 1.00 0.00 N ATOM 372 CA ALA A 28 -4.619 -4.938 -0.156 1.00 0.00 C ATOM 373 C ALA A 28 -5.508 -3.833 -0.714 1.00 0.00 C ATOM 374 O ALA A 28 -6.689 -4.050 -0.988 1.00 0.00 O ATOM 375 CB ALA A 28 -4.343 -5.985 -1.225 1.00 0.00 C ATOM 0 H ALA A 28 -5.100 -6.570 1.069 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.674 -4.488 0.150 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.890 -5.507 -2.094 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.662 -6.738 -0.829 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.279 -6.461 -1.519 1.00 0.00 H new ATOM 381 N VAL A 29 -4.935 -2.644 -0.879 1.00 0.00 N ATOM 382 CA VAL A 29 -5.676 -1.504 -1.404 1.00 0.00 C ATOM 383 C VAL A 29 -5.044 -0.984 -2.691 1.00 0.00 C ATOM 384 O VAL A 29 -3.843 -0.724 -2.745 1.00 0.00 O ATOM 385 CB VAL A 29 -5.743 -0.357 -0.378 1.00 0.00 C ATOM 386 CG1 VAL A 29 -6.741 -0.683 0.723 1.00 0.00 C ATOM 387 CG2 VAL A 29 -4.365 -0.084 0.205 1.00 0.00 C ATOM 0 H VAL A 29 -3.959 -2.446 -0.656 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.687 -1.853 -1.614 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.082 0.545 -0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.775 0.139 1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.730 -0.826 0.287 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.434 -1.596 1.233 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.430 0.729 0.928 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.995 -0.982 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.680 0.196 -0.595 1.00 0.00 H new ATOM 397 N VAL A 30 -5.864 -0.834 -3.727 1.00 0.00 N ATOM 398 CA VAL A 30 -5.386 -0.343 -5.014 1.00 0.00 C ATOM 399 C VAL A 30 -5.534 1.172 -5.113 1.00 0.00 C ATOM 400 O VAL A 30 -6.640 1.704 -5.035 1.00 0.00 O ATOM 401 CB VAL A 30 -6.147 -0.999 -6.182 1.00 0.00 C ATOM 402 CG1 VAL A 30 -5.689 -0.419 -7.511 1.00 0.00 C ATOM 403 CG2 VAL A 30 -5.961 -2.508 -6.157 1.00 0.00 C ATOM 0 H VAL A 30 -6.861 -1.045 -3.700 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.331 -0.608 -5.083 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.209 -0.785 -6.067 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.238 -0.895 -8.324 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.879 0.654 -7.524 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.622 -0.600 -7.639 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.505 -2.955 -6.989 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.901 -2.745 -6.247 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.343 -2.906 -5.217 1.00 0.00 H new ATOM 413 N ILE A 31 -4.410 1.859 -5.285 1.00 0.00 N ATOM 414 CA ILE A 31 -4.413 3.313 -5.397 1.00 0.00 C ATOM 415 C ILE A 31 -4.984 3.760 -6.739 1.00 0.00 C ATOM 416 O ILE A 31 -4.680 3.194 -7.789 1.00 0.00 O ATOM 417 CB ILE A 31 -2.995 3.893 -5.235 1.00 0.00 C ATOM 418 CG1 ILE A 31 -3.062 5.301 -4.641 1.00 0.00 C ATOM 419 CG2 ILE A 31 -2.275 3.911 -6.575 1.00 0.00 C ATOM 420 CD1 ILE A 31 -1.734 5.798 -4.113 1.00 0.00 C ATOM 0 H ILE A 31 -3.486 1.433 -5.350 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.045 3.690 -4.593 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.433 3.257 -4.551 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.422 5.992 -5.404 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.792 5.311 -3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.274 4.323 -6.445 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.201 2.895 -6.962 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.833 4.528 -7.280 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.857 6.802 -3.707 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.382 5.130 -3.327 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.006 5.821 -4.924 1.00 0.00 H new ATOM 432 N PRO A 32 -5.829 4.800 -6.705 1.00 0.00 N ATOM 433 CA PRO A 32 -6.458 5.348 -7.910 1.00 0.00 C ATOM 434 C PRO A 32 -5.458 6.064 -8.811 1.00 0.00 C ATOM 435 O PRO A 32 -5.380 5.790 -10.009 1.00 0.00 O ATOM 436 CB PRO A 32 -7.485 6.340 -7.355 1.00 0.00 C ATOM 437 CG PRO A 32 -6.948 6.734 -6.022 1.00 0.00 C ATOM 438 CD PRO A 32 -6.236 5.521 -5.487 1.00 0.00 C ATOM 0 HA PRO A 32 -6.894 4.567 -8.533 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.594 7.205 -8.009 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.470 5.882 -7.266 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.266 7.579 -6.111 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.752 7.042 -5.353 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.376 5.796 -4.877 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.890 4.915 -4.861 1.00 0.00 H new ATOM 446 N CYS A 33 -4.695 6.983 -8.228 1.00 0.00 N ATOM 447 CA CYS A 33 -3.700 7.740 -8.978 1.00 0.00 C ATOM 448 C CYS A 33 -3.157 6.918 -10.143 1.00 0.00 C ATOM 449 O CYS A 33 -3.162 7.366 -11.290 1.00 0.00 O ATOM 450 CB CYS A 33 -2.553 8.163 -8.059 1.00 0.00 C ATOM 451 SG CYS A 33 -1.772 6.785 -7.161 1.00 0.00 S ATOM 0 H CYS A 33 -4.747 7.221 -7.238 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.183 8.631 -9.379 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.794 8.671 -8.654 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.929 8.887 -7.336 1.00 0.00 H new ATOM 0 HG CYS A 33 -0.505 7.031 -7.005 1.00 0.00 H new ATOM 456 N CYS A 34 -2.689 5.711 -9.841 1.00 0.00 N ATOM 457 CA CYS A 34 -2.142 4.825 -10.862 1.00 0.00 C ATOM 458 C CYS A 34 -2.669 3.404 -10.688 1.00 0.00 C ATOM 459 O CYS A 34 -3.263 2.835 -11.603 1.00 0.00 O ATOM 460 CB CYS A 34 -0.613 4.824 -10.799 1.00 0.00 C ATOM 461 SG CYS A 34 0.063 4.513 -9.136 1.00 0.00 S ATOM 0 H CYS A 34 -2.678 5.324 -8.897 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.460 5.195 -11.837 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.232 4.065 -11.482 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.245 5.786 -11.155 1.00 0.00 H new ATOM 0 HG CYS A 34 -0.524 5.292 -8.276 1.00 0.00 H new ATOM 466 N GLY A 35 -2.449 2.837 -9.505 1.00 0.00 N ATOM 467 CA GLY A 35 -2.908 1.487 -9.233 1.00 0.00 C ATOM 468 C GLY A 35 -1.782 0.566 -8.810 1.00 0.00 C ATOM 469 O GLY A 35 -1.106 -0.027 -9.650 1.00 0.00 O ATOM 0 H GLY A 35 -1.962 3.288 -8.731 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.664 1.515 -8.449 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.388 1.083 -10.124 1.00 0.00 H new ATOM 473 N ASN A 36 -1.579 0.445 -7.502 1.00 0.00 N ATOM 474 CA ASN A 36 -0.524 -0.409 -6.968 1.00 0.00 C ATOM 475 C ASN A 36 -1.019 -1.191 -5.756 1.00 0.00 C ATOM 476 O ASN A 36 -2.025 -0.835 -5.142 1.00 0.00 O ATOM 477 CB ASN A 36 0.696 0.430 -6.584 1.00 0.00 C ATOM 478 CG ASN A 36 1.235 1.235 -7.750 1.00 0.00 C ATOM 479 OD1 ASN A 36 1.284 0.753 -8.882 1.00 0.00 O ATOM 480 ND2 ASN A 36 1.642 2.471 -7.479 1.00 0.00 N ATOM 0 H ASN A 36 -2.131 0.927 -6.793 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.238 -1.119 -7.744 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.427 1.106 -5.773 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.480 -0.226 -6.206 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.013 3.061 -8.224 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.583 2.830 -6.526 1.00 0.00 H new ATOM 487 N SER A 37 -0.306 -2.261 -5.416 1.00 0.00 N ATOM 488 CA SER A 37 -0.675 -3.097 -4.280 1.00 0.00 C ATOM 489 C SER A 37 0.190 -2.772 -3.065 1.00 0.00 C ATOM 490 O SER A 37 1.416 -2.871 -3.117 1.00 0.00 O ATOM 491 CB SER A 37 -0.534 -4.577 -4.640 1.00 0.00 C ATOM 492 OG SER A 37 0.803 -4.891 -4.990 1.00 0.00 O ATOM 0 H SER A 37 0.531 -2.569 -5.912 1.00 0.00 H new ATOM 0 HA SER A 37 -1.716 -2.890 -4.031 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.846 -5.191 -3.795 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.197 -4.817 -5.471 1.00 0.00 H new ATOM 0 HG SER A 37 1.411 -4.249 -4.568 1.00 0.00 H new ATOM 498 N TYR A 38 -0.458 -2.386 -1.972 1.00 0.00 N ATOM 499 CA TYR A 38 0.250 -2.045 -0.744 1.00 0.00 C ATOM 500 C TYR A 38 -0.580 -2.410 0.483 1.00 0.00 C ATOM 501 O TYR A 38 -1.810 -2.407 0.439 1.00 0.00 O ATOM 502 CB TYR A 38 0.585 -0.553 -0.721 1.00 0.00 C ATOM 503 CG TYR A 38 1.365 -0.088 -1.930 1.00 0.00 C ATOM 504 CD1 TYR A 38 2.545 -0.718 -2.304 1.00 0.00 C ATOM 505 CD2 TYR A 38 0.920 0.980 -2.699 1.00 0.00 C ATOM 506 CE1 TYR A 38 3.262 -0.296 -3.407 1.00 0.00 C ATOM 507 CE2 TYR A 38 1.629 1.407 -3.806 1.00 0.00 C ATOM 508 CZ TYR A 38 2.799 0.767 -4.155 1.00 0.00 C ATOM 509 OH TYR A 38 3.509 1.188 -5.256 1.00 0.00 O ATOM 0 H TYR A 38 -1.473 -2.301 -1.911 1.00 0.00 H new ATOM 0 HA TYR A 38 1.176 -2.619 -0.718 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.341 0.018 -0.655 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.160 -0.332 0.178 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.908 -1.552 -1.722 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.005 1.485 -2.427 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.179 -0.795 -3.682 1.00 0.00 H new ATOM 0 HE2 TYR A 38 1.268 2.238 -4.394 1.00 0.00 H new ATOM 0 HH TYR A 38 3.640 2.158 -5.210 1.00 0.00 H new ATOM 519 N CYS A 39 0.103 -2.725 1.578 1.00 0.00 N ATOM 520 CA CYS A 39 -0.569 -3.092 2.820 1.00 0.00 C ATOM 521 C CYS A 39 -1.345 -1.909 3.389 1.00 0.00 C ATOM 522 O CYS A 39 -0.846 -0.784 3.423 1.00 0.00 O ATOM 523 CB CYS A 39 0.450 -3.590 3.847 1.00 0.00 C ATOM 524 SG CYS A 39 1.540 -4.914 3.232 1.00 0.00 S ATOM 0 H CYS A 39 1.122 -2.734 1.631 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.274 -3.893 2.600 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.064 -2.750 4.171 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.083 -3.952 4.726 1.00 0.00 H new ATOM 0 HG CYS A 39 2.210 -4.483 2.205 1.00 0.00 H new ATOM 529 N ASP A 40 -2.569 -2.172 3.835 1.00 0.00 N ATOM 530 CA ASP A 40 -3.415 -1.130 4.405 1.00 0.00 C ATOM 531 C ASP A 40 -2.577 -0.100 5.156 1.00 0.00 C ATOM 532 O ASP A 40 -2.905 1.087 5.175 1.00 0.00 O ATOM 533 CB ASP A 40 -4.455 -1.744 5.344 1.00 0.00 C ATOM 534 CG ASP A 40 -4.858 -0.798 6.458 1.00 0.00 C ATOM 535 OD1 ASP A 40 -5.104 0.392 6.168 1.00 0.00 O ATOM 536 OD2 ASP A 40 -4.929 -1.248 7.621 1.00 0.00 O ATOM 0 H ASP A 40 -2.997 -3.098 3.813 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.929 -0.626 3.587 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.339 -2.023 4.770 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.054 -2.660 5.777 1.00 0.00 H new ATOM 541 N GLU A 41 -1.497 -0.563 5.777 1.00 0.00 N ATOM 542 CA GLU A 41 -0.613 0.319 6.532 1.00 0.00 C ATOM 543 C GLU A 41 0.526 0.829 5.654 1.00 0.00 C ATOM 544 O GLU A 41 0.815 2.026 5.625 1.00 0.00 O ATOM 545 CB GLU A 41 -0.045 -0.413 7.749 1.00 0.00 C ATOM 546 CG GLU A 41 0.807 -1.619 7.392 1.00 0.00 C ATOM 547 CD GLU A 41 1.233 -2.415 8.610 1.00 0.00 C ATOM 548 OE1 GLU A 41 0.411 -3.208 9.116 1.00 0.00 O ATOM 549 OE2 GLU A 41 2.385 -2.245 9.059 1.00 0.00 O ATOM 0 H GLU A 41 -1.213 -1.543 5.773 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.198 1.174 6.871 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.555 0.284 8.334 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.869 -0.737 8.385 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.248 -2.267 6.717 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.694 -1.286 6.852 1.00 0.00 H new ATOM 556 N CYS A 42 1.171 -0.087 4.940 1.00 0.00 N ATOM 557 CA CYS A 42 2.280 0.268 4.062 1.00 0.00 C ATOM 558 C CYS A 42 1.999 1.578 3.333 1.00 0.00 C ATOM 559 O CYS A 42 2.797 2.514 3.386 1.00 0.00 O ATOM 560 CB CYS A 42 2.531 -0.849 3.048 1.00 0.00 C ATOM 561 SG CYS A 42 3.738 -2.097 3.600 1.00 0.00 S ATOM 0 H CYS A 42 0.945 -1.082 4.952 1.00 0.00 H new ATOM 0 HA CYS A 42 3.170 0.399 4.677 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.586 -1.345 2.829 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.882 -0.407 2.116 1.00 0.00 H new ATOM 0 HG CYS A 42 3.196 -3.277 3.550 1.00 0.00 H new ATOM 566 N ILE A 43 0.858 1.637 2.653 1.00 0.00 N ATOM 567 CA ILE A 43 0.471 2.833 1.915 1.00 0.00 C ATOM 568 C ILE A 43 0.068 3.958 2.862 1.00 0.00 C ATOM 569 O ILE A 43 0.243 5.136 2.553 1.00 0.00 O ATOM 570 CB ILE A 43 -0.696 2.546 0.951 1.00 0.00 C ATOM 571 CG1 ILE A 43 -1.047 3.803 0.152 1.00 0.00 C ATOM 572 CG2 ILE A 43 -1.909 2.046 1.721 1.00 0.00 C ATOM 573 CD1 ILE A 43 0.037 4.229 -0.812 1.00 0.00 C ATOM 0 H ILE A 43 0.186 0.871 2.598 1.00 0.00 H new ATOM 0 HA ILE A 43 1.342 3.143 1.337 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.388 1.768 0.253 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.967 3.625 -0.405 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.247 4.620 0.845 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.725 1.848 1.026 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.651 1.128 2.249 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.221 2.803 2.440 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.281 5.126 -1.343 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.953 4.440 -0.260 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.221 3.429 -1.529 1.00 0.00 H new ATOM 585 N ARG A 44 -0.471 3.585 4.019 1.00 0.00 N ATOM 586 CA ARG A 44 -0.898 4.563 5.012 1.00 0.00 C ATOM 587 C ARG A 44 0.282 5.406 5.488 1.00 0.00 C ATOM 588 O ARG A 44 0.281 6.630 5.350 1.00 0.00 O ATOM 589 CB ARG A 44 -1.549 3.859 6.205 1.00 0.00 C ATOM 590 CG ARG A 44 -2.379 4.784 7.080 1.00 0.00 C ATOM 591 CD ARG A 44 -1.515 5.504 8.104 1.00 0.00 C ATOM 592 NE ARG A 44 -1.336 4.715 9.320 1.00 0.00 N ATOM 593 CZ ARG A 44 -2.303 4.503 10.207 1.00 0.00 C ATOM 594 NH1 ARG A 44 -3.509 5.018 10.014 1.00 0.00 N ATOM 595 NH2 ARG A 44 -2.063 3.774 11.289 1.00 0.00 N ATOM 0 H ARG A 44 -0.622 2.614 4.291 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.629 5.223 4.544 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.185 3.053 5.838 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.770 3.399 6.814 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.891 5.516 6.455 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.149 4.208 7.593 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.541 5.723 7.667 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.973 6.460 8.356 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.419 4.304 9.498 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.697 5.579 9.183 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.249 4.854 10.696 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.136 3.376 11.441 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.805 3.612 11.969 1.00 0.00 H new ATOM 609 N THR A 45 1.288 4.743 6.049 1.00 0.00 N ATOM 610 CA THR A 45 2.472 5.430 6.547 1.00 0.00 C ATOM 611 C THR A 45 3.212 6.139 5.418 1.00 0.00 C ATOM 612 O THR A 45 3.611 7.295 5.554 1.00 0.00 O ATOM 613 CB THR A 45 3.438 4.453 7.243 1.00 0.00 C ATOM 614 OG1 THR A 45 2.726 3.655 8.196 1.00 0.00 O ATOM 615 CG2 THR A 45 4.560 5.206 7.943 1.00 0.00 C ATOM 0 H THR A 45 1.306 3.730 6.170 1.00 0.00 H new ATOM 0 HA THR A 45 2.127 6.167 7.272 1.00 0.00 H new ATOM 0 HB THR A 45 3.875 3.807 6.482 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.347 3.035 8.633 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.229 4.495 8.427 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.119 5.789 7.211 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.137 5.874 8.693 1.00 0.00 H new ATOM 623 N ALA A 46 3.391 5.438 4.303 1.00 0.00 N ATOM 624 CA ALA A 46 4.080 6.002 3.149 1.00 0.00 C ATOM 625 C ALA A 46 3.637 7.438 2.892 1.00 0.00 C ATOM 626 O ALA A 46 4.463 8.326 2.673 1.00 0.00 O ATOM 627 CB ALA A 46 3.837 5.144 1.917 1.00 0.00 C ATOM 0 H ALA A 46 3.068 4.479 4.175 1.00 0.00 H new ATOM 0 HA ALA A 46 5.148 6.013 3.365 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.358 5.578 1.063 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.211 4.136 2.096 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.768 5.103 1.707 1.00 0.00 H new ATOM 633 N LEU A 47 2.326 7.661 2.919 1.00 0.00 N ATOM 634 CA LEU A 47 1.772 8.990 2.688 1.00 0.00 C ATOM 635 C LEU A 47 2.300 9.987 3.714 1.00 0.00 C ATOM 636 O LEU A 47 2.781 11.064 3.360 1.00 0.00 O ATOM 637 CB LEU A 47 0.244 8.943 2.743 1.00 0.00 C ATOM 638 CG LEU A 47 -0.441 8.107 1.663 1.00 0.00 C ATOM 639 CD1 LEU A 47 -1.879 7.804 2.055 1.00 0.00 C ATOM 640 CD2 LEU A 47 -0.392 8.823 0.321 1.00 0.00 C ATOM 0 H LEU A 47 1.629 6.939 3.098 1.00 0.00 H new ATOM 0 HA LEU A 47 2.084 9.320 1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.053 8.555 3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.133 9.964 2.678 1.00 0.00 H new ATOM 0 HG LEU A 47 0.095 7.163 1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.351 7.208 1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.891 7.249 2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.427 8.738 2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.885 8.212 -0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.903 9.783 0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.647 8.988 0.034 1.00 0.00 H new ATOM 652 N LEU A 48 2.208 9.619 4.988 1.00 0.00 N ATOM 653 CA LEU A 48 2.678 10.480 6.068 1.00 0.00 C ATOM 654 C LEU A 48 4.171 10.763 5.928 1.00 0.00 C ATOM 655 O LEU A 48 4.610 11.904 6.059 1.00 0.00 O ATOM 656 CB LEU A 48 2.396 9.831 7.424 1.00 0.00 C ATOM 657 CG LEU A 48 0.966 9.967 7.948 1.00 0.00 C ATOM 658 CD1 LEU A 48 -0.016 9.293 7.001 1.00 0.00 C ATOM 659 CD2 LEU A 48 0.851 9.377 9.346 1.00 0.00 C ATOM 0 H LEU A 48 1.813 8.731 5.298 1.00 0.00 H new ATOM 0 HA LEU A 48 2.140 11.426 6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.637 8.770 7.354 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.074 10.264 8.160 1.00 0.00 H new ATOM 0 HG LEU A 48 0.719 11.027 8.001 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.029 9.400 7.390 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.046 9.761 6.019 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.230 8.235 6.915 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.174 9.483 9.702 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.118 8.321 9.318 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.526 9.904 10.020 1.00 0.00 H new ATOM 671 N GLU A 49 4.944 9.716 5.660 1.00 0.00 N ATOM 672 CA GLU A 49 6.387 9.853 5.501 1.00 0.00 C ATOM 673 C GLU A 49 6.721 10.811 4.362 1.00 0.00 C ATOM 674 O GLU A 49 7.431 11.798 4.554 1.00 0.00 O ATOM 675 CB GLU A 49 7.025 8.487 5.236 1.00 0.00 C ATOM 676 CG GLU A 49 6.795 7.481 6.351 1.00 0.00 C ATOM 677 CD GLU A 49 7.090 8.053 7.724 1.00 0.00 C ATOM 678 OE1 GLU A 49 8.277 8.308 8.017 1.00 0.00 O ATOM 679 OE2 GLU A 49 6.134 8.246 8.504 1.00 0.00 O ATOM 0 H GLU A 49 4.596 8.764 5.548 1.00 0.00 H new ATOM 0 HA GLU A 49 6.791 10.262 6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.625 8.083 4.306 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.097 8.618 5.092 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.761 7.139 6.319 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.425 6.608 6.183 1.00 0.00 H new ATOM 686 N SER A 50 6.202 10.514 3.174 1.00 0.00 N ATOM 687 CA SER A 50 6.446 11.346 2.003 1.00 0.00 C ATOM 688 C SER A 50 6.284 12.824 2.343 1.00 0.00 C ATOM 689 O SER A 50 5.313 13.221 2.989 1.00 0.00 O ATOM 690 CB SER A 50 5.493 10.963 0.870 1.00 0.00 C ATOM 691 OG SER A 50 5.756 9.653 0.402 1.00 0.00 O ATOM 0 H SER A 50 5.610 9.702 2.998 1.00 0.00 H new ATOM 0 HA SER A 50 7.472 11.177 1.676 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.463 11.027 1.220 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.595 11.673 0.049 1.00 0.00 H new ATOM 0 HG SER A 50 5.382 9.000 1.030 1.00 0.00 H new ATOM 697 N ASP A 51 7.241 13.636 1.903 1.00 0.00 N ATOM 698 CA ASP A 51 7.203 15.071 2.160 1.00 0.00 C ATOM 699 C ASP A 51 5.798 15.625 1.947 1.00 0.00 C ATOM 700 O ASP A 51 5.296 16.399 2.761 1.00 0.00 O ATOM 701 CB ASP A 51 8.195 15.798 1.250 1.00 0.00 C ATOM 702 CG ASP A 51 9.636 15.560 1.658 1.00 0.00 C ATOM 703 OD1 ASP A 51 10.040 14.381 1.748 1.00 0.00 O ATOM 704 OD2 ASP A 51 10.359 16.552 1.884 1.00 0.00 O ATOM 0 H ASP A 51 8.051 13.325 1.367 1.00 0.00 H new ATOM 0 HA ASP A 51 7.485 15.237 3.200 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.052 15.465 0.222 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.986 16.868 1.271 1.00 0.00 H new ATOM 709 N GLU A 52 5.169 15.224 0.847 1.00 0.00 N ATOM 710 CA GLU A 52 3.822 15.682 0.526 1.00 0.00 C ATOM 711 C GLU A 52 2.945 14.518 0.073 1.00 0.00 C ATOM 712 O GLU A 52 2.336 14.566 -0.996 1.00 0.00 O ATOM 713 CB GLU A 52 3.871 16.754 -0.563 1.00 0.00 C ATOM 714 CG GLU A 52 4.138 18.152 -0.031 1.00 0.00 C ATOM 715 CD GLU A 52 2.967 18.711 0.753 1.00 0.00 C ATOM 716 OE1 GLU A 52 1.815 18.549 0.295 1.00 0.00 O ATOM 717 OE2 GLU A 52 3.199 19.312 1.822 1.00 0.00 O ATOM 0 H GLU A 52 5.571 14.583 0.163 1.00 0.00 H new ATOM 0 HA GLU A 52 3.386 16.111 1.428 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.648 16.494 -1.282 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.924 16.755 -1.103 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.021 18.131 0.608 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.363 18.817 -0.865 1.00 0.00 H new ATOM 724 N HIS A 53 2.886 13.474 0.893 1.00 0.00 N ATOM 725 CA HIS A 53 2.083 12.299 0.577 1.00 0.00 C ATOM 726 C HIS A 53 2.084 12.028 -0.924 1.00 0.00 C ATOM 727 O HIS A 53 1.042 11.741 -1.515 1.00 0.00 O ATOM 728 CB HIS A 53 0.649 12.486 1.073 1.00 0.00 C ATOM 729 CG HIS A 53 0.560 12.871 2.518 1.00 0.00 C ATOM 730 ND1 HIS A 53 -0.188 12.169 3.439 1.00 0.00 N ATOM 731 CD2 HIS A 53 1.132 13.892 3.198 1.00 0.00 C ATOM 732 CE1 HIS A 53 -0.074 12.743 4.623 1.00 0.00 C ATOM 733 NE2 HIS A 53 0.723 13.789 4.505 1.00 0.00 N ATOM 0 H HIS A 53 3.385 13.418 1.781 1.00 0.00 H new ATOM 0 HA HIS A 53 2.525 11.441 1.083 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.162 13.253 0.471 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.096 11.560 0.918 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.788 14.647 2.789 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.552 12.413 5.534 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.991 14.418 5.262 1.00 0.00 H new ATOM 741 N THR A 54 3.260 12.121 -1.536 1.00 0.00 N ATOM 742 CA THR A 54 3.397 11.888 -2.969 1.00 0.00 C ATOM 743 C THR A 54 3.591 10.407 -3.269 1.00 0.00 C ATOM 744 O THR A 54 4.535 9.783 -2.785 1.00 0.00 O ATOM 745 CB THR A 54 4.581 12.680 -3.556 1.00 0.00 C ATOM 746 OG1 THR A 54 4.416 14.076 -3.291 1.00 0.00 O ATOM 747 CG2 THR A 54 4.692 12.453 -5.057 1.00 0.00 C ATOM 0 H THR A 54 4.132 12.356 -1.062 1.00 0.00 H new ATOM 0 HA THR A 54 2.474 12.232 -3.435 1.00 0.00 H new ATOM 0 HB THR A 54 5.497 12.327 -3.082 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.683 14.204 -2.654 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.535 13.022 -5.450 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.847 11.392 -5.254 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.774 12.782 -5.544 1.00 0.00 H new ATOM 755 N CYS A 55 2.692 9.847 -4.072 1.00 0.00 N ATOM 756 CA CYS A 55 2.764 8.438 -4.437 1.00 0.00 C ATOM 757 C CYS A 55 4.197 8.035 -4.770 1.00 0.00 C ATOM 758 O CYS A 55 4.840 8.604 -5.652 1.00 0.00 O ATOM 759 CB CYS A 55 1.852 8.153 -5.633 1.00 0.00 C ATOM 760 SG CYS A 55 1.825 6.405 -6.147 1.00 0.00 S ATOM 0 H CYS A 55 1.904 10.349 -4.482 1.00 0.00 H new ATOM 0 HA CYS A 55 2.429 7.849 -3.583 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.837 8.463 -5.385 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.175 8.764 -6.476 1.00 0.00 H new ATOM 0 HG CYS A 55 1.212 5.697 -5.245 1.00 0.00 H new ATOM 765 N PRO A 56 4.711 7.030 -4.046 1.00 0.00 N ATOM 766 CA PRO A 56 6.075 6.527 -4.246 1.00 0.00 C ATOM 767 C PRO A 56 6.230 5.785 -5.570 1.00 0.00 C ATOM 768 O PRO A 56 7.281 5.207 -5.849 1.00 0.00 O ATOM 769 CB PRO A 56 6.275 5.568 -3.070 1.00 0.00 C ATOM 770 CG PRO A 56 4.900 5.131 -2.698 1.00 0.00 C ATOM 771 CD PRO A 56 4.003 6.305 -2.979 1.00 0.00 C ATOM 0 HA PRO A 56 6.806 7.335 -4.285 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.897 4.719 -3.353 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.772 6.063 -2.236 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.597 4.260 -3.279 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.852 4.846 -1.647 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.012 5.985 -3.300 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.866 6.926 -2.094 1.00 0.00 H new ATOM 779 N THR A 57 5.178 5.805 -6.382 1.00 0.00 N ATOM 780 CA THR A 57 5.198 5.134 -7.676 1.00 0.00 C ATOM 781 C THR A 57 5.086 6.138 -8.817 1.00 0.00 C ATOM 782 O THR A 57 5.978 6.239 -9.659 1.00 0.00 O ATOM 783 CB THR A 57 4.055 4.108 -7.794 1.00 0.00 C ATOM 784 OG1 THR A 57 4.004 3.295 -6.617 1.00 0.00 O ATOM 785 CG2 THR A 57 4.245 3.226 -9.019 1.00 0.00 C ATOM 0 H THR A 57 4.301 6.279 -6.166 1.00 0.00 H new ATOM 0 HA THR A 57 6.152 4.612 -7.748 1.00 0.00 H new ATOM 0 HB THR A 57 3.116 4.652 -7.900 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.955 2.350 -6.874 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.426 2.509 -9.082 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.254 3.846 -9.916 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.191 2.690 -8.938 1.00 0.00 H new ATOM 793 N CYS A 58 3.983 6.880 -8.840 1.00 0.00 N ATOM 794 CA CYS A 58 3.753 7.877 -9.879 1.00 0.00 C ATOM 795 C CYS A 58 3.714 9.282 -9.285 1.00 0.00 C ATOM 796 O CYS A 58 3.512 9.454 -8.082 1.00 0.00 O ATOM 797 CB CYS A 58 2.444 7.585 -10.614 1.00 0.00 C ATOM 798 SG CYS A 58 0.948 7.935 -9.634 1.00 0.00 S ATOM 0 H CYS A 58 3.235 6.809 -8.151 1.00 0.00 H new ATOM 0 HA CYS A 58 4.579 7.824 -10.588 1.00 0.00 H new ATOM 0 HB2 CYS A 58 2.413 8.177 -11.529 1.00 0.00 H new ATOM 0 HB3 CYS A 58 2.433 6.537 -10.912 1.00 0.00 H new ATOM 0 HG CYS A 58 0.393 6.816 -9.275 1.00 0.00 H new ATOM 803 N HIS A 59 3.910 10.284 -10.136 1.00 0.00 N ATOM 804 CA HIS A 59 3.895 11.674 -9.696 1.00 0.00 C ATOM 805 C HIS A 59 2.467 12.152 -9.450 1.00 0.00 C ATOM 806 O HIS A 59 1.778 12.580 -10.375 1.00 0.00 O ATOM 807 CB HIS A 59 4.572 12.568 -10.737 1.00 0.00 C ATOM 808 CG HIS A 59 4.360 14.030 -10.499 1.00 0.00 C ATOM 809 ND1 HIS A 59 3.467 14.789 -11.228 1.00 0.00 N ATOM 810 CD2 HIS A 59 4.928 14.874 -9.607 1.00 0.00 C ATOM 811 CE1 HIS A 59 3.498 16.037 -10.795 1.00 0.00 C ATOM 812 NE2 HIS A 59 4.375 16.115 -9.811 1.00 0.00 N ATOM 0 H HIS A 59 4.081 10.159 -11.134 1.00 0.00 H new ATOM 0 HA HIS A 59 4.447 11.738 -8.758 1.00 0.00 H new ATOM 0 HB2 HIS A 59 5.642 12.360 -10.741 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.193 12.311 -11.726 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.677 14.620 -8.871 1.00 0.00 H new ATOM 0 HE1 HIS A 59 2.907 16.854 -11.180 1.00 0.00 H new ATOM 0 HE2 HIS A 59 4.605 16.960 -9.287 1.00 0.00 H new ATOM 820 N GLN A 60 2.030 12.075 -8.197 1.00 0.00 N ATOM 821 CA GLN A 60 0.684 12.499 -7.831 1.00 0.00 C ATOM 822 C GLN A 60 0.697 13.285 -6.524 1.00 0.00 C ATOM 823 O GLN A 60 1.720 13.359 -5.844 1.00 0.00 O ATOM 824 CB GLN A 60 -0.237 11.284 -7.699 1.00 0.00 C ATOM 825 CG GLN A 60 -1.654 11.539 -8.186 1.00 0.00 C ATOM 826 CD GLN A 60 -2.571 12.029 -7.084 1.00 0.00 C ATOM 827 OE1 GLN A 60 -3.286 13.018 -7.249 1.00 0.00 O ATOM 828 NE2 GLN A 60 -2.557 11.338 -5.951 1.00 0.00 N ATOM 0 H GLN A 60 2.588 11.723 -7.419 1.00 0.00 H new ATOM 0 HA GLN A 60 0.307 13.149 -8.621 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.188 10.453 -8.263 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.271 10.976 -6.654 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.631 12.276 -8.989 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.060 10.620 -8.609 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.949 10.524 -5.857 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.154 11.620 -5.174 1.00 0.00 H new ATOM 837 N ASN A 61 -0.444 13.873 -6.182 1.00 0.00 N ATOM 838 CA ASN A 61 -0.564 14.655 -4.957 1.00 0.00 C ATOM 839 C ASN A 61 -0.992 13.775 -3.788 1.00 0.00 C ATOM 840 O ASN A 61 -1.088 12.554 -3.918 1.00 0.00 O ATOM 841 CB ASN A 61 -1.570 15.792 -5.150 1.00 0.00 C ATOM 842 CG ASN A 61 -2.959 15.421 -4.670 1.00 0.00 C ATOM 843 OD1 ASN A 61 -3.625 16.204 -3.991 1.00 0.00 O ATOM 844 ND2 ASN A 61 -3.406 14.220 -5.022 1.00 0.00 N ATOM 0 H ASN A 61 -1.299 13.823 -6.736 1.00 0.00 H new ATOM 0 HA ASN A 61 0.414 15.079 -4.729 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.225 16.674 -4.610 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.613 16.061 -6.206 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -4.334 13.915 -4.729 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -2.821 13.603 -5.585 1.00 0.00 H new ATOM 851 N ASP A 62 -1.248 14.401 -2.644 1.00 0.00 N ATOM 852 CA ASP A 62 -1.668 13.676 -1.451 1.00 0.00 C ATOM 853 C ASP A 62 -2.990 12.954 -1.692 1.00 0.00 C ATOM 854 O ASP A 62 -4.057 13.566 -1.671 1.00 0.00 O ATOM 855 CB ASP A 62 -1.805 14.633 -0.268 1.00 0.00 C ATOM 856 CG ASP A 62 -0.726 15.699 -0.258 1.00 0.00 C ATOM 857 OD1 ASP A 62 -0.686 16.511 -1.205 1.00 0.00 O ATOM 858 OD2 ASP A 62 0.077 15.722 0.699 1.00 0.00 O ATOM 0 H ASP A 62 -1.172 15.410 -2.518 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.905 12.933 -1.220 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.784 15.111 -0.303 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.760 14.066 0.662 1.00 0.00 H new ATOM 863 N VAL A 63 -2.911 11.647 -1.923 1.00 0.00 N ATOM 864 CA VAL A 63 -4.101 10.840 -2.167 1.00 0.00 C ATOM 865 C VAL A 63 -4.932 10.687 -0.899 1.00 0.00 C ATOM 866 O VAL A 63 -4.391 10.619 0.205 1.00 0.00 O ATOM 867 CB VAL A 63 -3.732 9.442 -2.698 1.00 0.00 C ATOM 868 CG1 VAL A 63 -4.979 8.585 -2.858 1.00 0.00 C ATOM 869 CG2 VAL A 63 -2.980 9.554 -4.015 1.00 0.00 C ATOM 0 H VAL A 63 -2.035 11.125 -1.946 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.689 11.364 -2.921 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.078 8.958 -1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -4.699 7.601 -3.234 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -5.473 8.477 -1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.660 9.062 -3.563 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.727 8.557 -4.376 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.607 10.058 -4.750 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -2.066 10.128 -3.864 1.00 0.00 H new ATOM 879 N SER A 64 -6.250 10.634 -1.063 1.00 0.00 N ATOM 880 CA SER A 64 -7.158 10.492 0.069 1.00 0.00 C ATOM 881 C SER A 64 -7.116 9.071 0.624 1.00 0.00 C ATOM 882 O SER A 64 -7.247 8.088 -0.105 1.00 0.00 O ATOM 883 CB SER A 64 -8.586 10.847 -0.347 1.00 0.00 C ATOM 884 OG SER A 64 -9.458 10.846 0.770 1.00 0.00 O ATOM 0 H SER A 64 -6.713 10.687 -1.970 1.00 0.00 H new ATOM 0 HA SER A 64 -6.834 11.179 0.851 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.597 11.829 -0.820 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.940 10.132 -1.089 1.00 0.00 H new ATOM 0 HG SER A 64 -10.364 11.078 0.478 1.00 0.00 H new ATOM 890 N PRO A 65 -6.927 8.960 1.947 1.00 0.00 N ATOM 891 CA PRO A 65 -6.864 7.664 2.631 1.00 0.00 C ATOM 892 C PRO A 65 -8.215 6.960 2.665 1.00 0.00 C ATOM 893 O PRO A 65 -8.385 5.954 3.354 1.00 0.00 O ATOM 894 CB PRO A 65 -6.416 8.033 4.048 1.00 0.00 C ATOM 895 CG PRO A 65 -6.864 9.442 4.232 1.00 0.00 C ATOM 896 CD PRO A 65 -6.762 10.088 2.878 1.00 0.00 C ATOM 0 HA PRO A 65 -6.195 6.968 2.125 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -6.867 7.374 4.790 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -5.335 7.944 4.157 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.887 9.481 4.607 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -6.238 9.959 4.959 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.534 10.844 2.734 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.801 10.584 2.741 1.00 0.00 H new ATOM 904 N ASP A 66 -9.175 7.495 1.917 1.00 0.00 N ATOM 905 CA ASP A 66 -10.512 6.916 1.861 1.00 0.00 C ATOM 906 C ASP A 66 -10.796 6.337 0.478 1.00 0.00 C ATOM 907 O ASP A 66 -11.453 5.305 0.349 1.00 0.00 O ATOM 908 CB ASP A 66 -11.562 7.970 2.213 1.00 0.00 C ATOM 909 CG ASP A 66 -12.972 7.412 2.193 1.00 0.00 C ATOM 910 OD1 ASP A 66 -13.354 6.728 3.166 1.00 0.00 O ATOM 911 OD2 ASP A 66 -13.694 7.660 1.205 1.00 0.00 O ATOM 0 H ASP A 66 -9.052 8.328 1.342 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.562 6.107 2.590 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.349 8.375 3.202 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.492 8.798 1.508 1.00 0.00 H new ATOM 916 N ALA A 67 -10.298 7.011 -0.553 1.00 0.00 N ATOM 917 CA ALA A 67 -10.497 6.565 -1.926 1.00 0.00 C ATOM 918 C ALA A 67 -9.567 5.405 -2.266 1.00 0.00 C ATOM 919 O ALA A 67 -8.928 5.396 -3.320 1.00 0.00 O ATOM 920 CB ALA A 67 -10.280 7.720 -2.893 1.00 0.00 C ATOM 0 H ALA A 67 -9.753 7.869 -0.463 1.00 0.00 H new ATOM 0 HA ALA A 67 -11.524 6.213 -2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -10.432 7.372 -3.915 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -10.989 8.518 -2.672 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.263 8.098 -2.786 1.00 0.00 H new ATOM 926 N LEU A 68 -9.495 4.428 -1.369 1.00 0.00 N ATOM 927 CA LEU A 68 -8.642 3.263 -1.574 1.00 0.00 C ATOM 928 C LEU A 68 -9.426 1.971 -1.363 1.00 0.00 C ATOM 929 O LEU A 68 -9.956 1.724 -0.280 1.00 0.00 O ATOM 930 CB LEU A 68 -7.446 3.308 -0.622 1.00 0.00 C ATOM 931 CG LEU A 68 -6.553 4.546 -0.723 1.00 0.00 C ATOM 932 CD1 LEU A 68 -5.643 4.648 0.491 1.00 0.00 C ATOM 933 CD2 LEU A 68 -5.734 4.509 -2.005 1.00 0.00 C ATOM 0 H LEU A 68 -10.017 4.419 -0.493 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.281 3.284 -2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.818 3.235 0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.831 2.426 -0.801 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.191 5.430 -0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.015 5.535 0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.248 4.722 1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.012 3.761 0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.105 5.397 -2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.106 3.618 -2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.404 4.485 -2.864 1.00 0.00 H new ATOM 945 N SER A 69 -9.492 1.149 -2.406 1.00 0.00 N ATOM 946 CA SER A 69 -10.212 -0.117 -2.336 1.00 0.00 C ATOM 947 C SER A 69 -11.421 -0.004 -1.413 1.00 0.00 C ATOM 948 O SER A 69 -11.720 -0.921 -0.648 1.00 0.00 O ATOM 949 CB SER A 69 -9.284 -1.230 -1.845 1.00 0.00 C ATOM 950 OG SER A 69 -9.921 -2.493 -1.915 1.00 0.00 O ATOM 0 H SER A 69 -9.056 1.337 -3.309 1.00 0.00 H new ATOM 0 HA SER A 69 -10.563 -0.362 -3.338 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.376 -1.243 -2.448 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.981 -1.028 -0.817 1.00 0.00 H new ATOM 0 HG SER A 69 -10.791 -2.446 -1.467 1.00 0.00 H new