USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=20 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 18 CYS SG : rot 164:sc= 2.33 USER MOD Set 1.2: A 21 CYS SG : rot -26:sc= -0.612! USER MOD Set 1.3: A 39 CYS SG : rot 63:sc= 1.08 USER MOD Set 1.4: A 42 CYS SG : rot 121:sc= 0.464 USER MOD Set 2.1: A 33 CYS SG : rot 65:sc= -6.11! USER MOD Set 2.2: A 34 CYS SG : rot -116:sc= 0.582 USER MOD Set 2.3: A 36 ASN :FLIP amide:sc= -3.09! C(o=-20!,f=-17!) USER MOD Set 2.4: A 55 CYS SG : rot 138:sc= -0.736! USER MOD Set 2.5: A 57 THR OG1 : rot 170:sc= 0 USER MOD Set 2.6: A 58 CYS SG : rot -69:sc= -3.42! USER MOD Set 2.7: A 60 GLN : amide:sc= -3.81 K(o=-17,f=-19!) USER MOD Set 3.1: A 25 MET CE :methyl -148:sc=-0.00724 (180deg=-1.4) USER MOD Set 3.2: A 37 SER OG : rot 33:sc= 0.286 USER MOD Single : A 22 LYS NZ :NH3+ -131:sc= 0.0518 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc=-0.00958 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.089) USER MOD Single : A 54 THR OG1 : rot 76:sc= 1.22 USER MOD Single : A 59 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-2.4!) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= -0.984 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 179 N LEU A 16 2.063 -11.758 -4.742 1.00 0.00 N ATOM 180 CA LEU A 16 1.233 -11.633 -3.549 1.00 0.00 C ATOM 181 C LEU A 16 1.957 -10.845 -2.462 1.00 0.00 C ATOM 182 O LEU A 16 1.769 -11.093 -1.271 1.00 0.00 O ATOM 183 CB LEU A 16 0.853 -13.018 -3.022 1.00 0.00 C ATOM 184 CG LEU A 16 -0.172 -13.794 -3.851 1.00 0.00 C ATOM 185 CD1 LEU A 16 -0.100 -15.280 -3.533 1.00 0.00 C ATOM 186 CD2 LEU A 16 -1.574 -13.260 -3.601 1.00 0.00 C ATOM 0 HA LEU A 16 0.327 -11.092 -3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.760 -13.618 -2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.462 -12.905 -2.011 1.00 0.00 H new ATOM 0 HG LEU A 16 0.064 -13.657 -4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.836 -15.816 -4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.898 -15.654 -3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.310 -15.436 -2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.290 -13.824 -4.199 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.821 -13.366 -2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.618 -12.207 -3.880 1.00 0.00 H new ATOM 198 N LEU A 17 2.783 -9.892 -2.881 1.00 0.00 N ATOM 199 CA LEU A 17 3.533 -9.064 -1.944 1.00 0.00 C ATOM 200 C LEU A 17 3.520 -7.602 -2.376 1.00 0.00 C ATOM 201 O LEU A 17 3.447 -7.296 -3.567 1.00 0.00 O ATOM 202 CB LEU A 17 4.976 -9.561 -1.836 1.00 0.00 C ATOM 203 CG LEU A 17 5.157 -10.985 -1.306 1.00 0.00 C ATOM 204 CD1 LEU A 17 6.618 -11.403 -1.389 1.00 0.00 C ATOM 205 CD2 LEU A 17 4.652 -11.090 0.124 1.00 0.00 C ATOM 0 H LEU A 17 2.950 -9.674 -3.863 1.00 0.00 H new ATOM 0 HA LEU A 17 3.054 -9.140 -0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.435 -9.501 -2.823 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.526 -8.880 -1.187 1.00 0.00 H new ATOM 0 HG LEU A 17 4.570 -11.661 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.728 -12.418 -1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.948 -11.367 -2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.225 -10.723 -0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.789 -12.110 0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.211 -10.403 0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.593 -10.833 0.156 1.00 0.00 H new ATOM 217 N CYS A 18 3.591 -6.701 -1.403 1.00 0.00 N ATOM 218 CA CYS A 18 3.588 -5.270 -1.681 1.00 0.00 C ATOM 219 C CYS A 18 4.954 -4.811 -2.180 1.00 0.00 C ATOM 220 O CYS A 18 5.938 -5.546 -2.097 1.00 0.00 O ATOM 221 CB CYS A 18 3.200 -4.485 -0.426 1.00 0.00 C ATOM 222 SG CYS A 18 4.524 -4.378 0.822 1.00 0.00 S ATOM 0 H CYS A 18 3.651 -6.937 -0.413 1.00 0.00 H new ATOM 0 HA CYS A 18 2.852 -5.078 -2.462 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.907 -3.476 -0.717 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.326 -4.953 0.026 1.00 0.00 H new ATOM 0 HG CYS A 18 4.240 -3.440 1.677 1.00 0.00 H new ATOM 227 N LEU A 19 5.008 -3.588 -2.699 1.00 0.00 N ATOM 228 CA LEU A 19 6.254 -3.029 -3.212 1.00 0.00 C ATOM 229 C LEU A 19 6.910 -2.121 -2.177 1.00 0.00 C ATOM 230 O LEU A 19 7.493 -1.092 -2.521 1.00 0.00 O ATOM 231 CB LEU A 19 5.993 -2.247 -4.501 1.00 0.00 C ATOM 232 CG LEU A 19 5.079 -2.925 -5.523 1.00 0.00 C ATOM 233 CD1 LEU A 19 4.688 -1.947 -6.620 1.00 0.00 C ATOM 234 CD2 LEU A 19 5.758 -4.151 -6.116 1.00 0.00 C ATOM 0 H LEU A 19 4.204 -2.965 -2.775 1.00 0.00 H new ATOM 0 HA LEU A 19 6.933 -3.855 -3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.557 -1.284 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.951 -2.043 -4.979 1.00 0.00 H new ATOM 0 HG LEU A 19 4.172 -3.249 -5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.038 -2.447 -7.338 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.161 -1.100 -6.181 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.585 -1.593 -7.128 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.093 -4.620 -6.841 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.681 -3.851 -6.612 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.987 -4.861 -5.321 1.00 0.00 H new ATOM 246 N ILE A 20 6.810 -2.508 -0.910 1.00 0.00 N ATOM 247 CA ILE A 20 7.397 -1.729 0.174 1.00 0.00 C ATOM 248 C ILE A 20 8.155 -2.626 1.147 1.00 0.00 C ATOM 249 O ILE A 20 9.386 -2.670 1.138 1.00 0.00 O ATOM 250 CB ILE A 20 6.322 -0.944 0.949 1.00 0.00 C ATOM 251 CG1 ILE A 20 5.773 0.196 0.088 1.00 0.00 C ATOM 252 CG2 ILE A 20 6.895 -0.404 2.250 1.00 0.00 C ATOM 253 CD1 ILE A 20 4.554 0.867 0.680 1.00 0.00 C ATOM 0 H ILE A 20 6.329 -3.355 -0.609 1.00 0.00 H new ATOM 0 HA ILE A 20 8.091 -1.024 -0.284 1.00 0.00 H new ATOM 0 HB ILE A 20 5.502 -1.620 1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.555 0.942 -0.055 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.520 -0.194 -0.898 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.123 0.148 2.786 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.242 -1.233 2.866 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.731 0.261 2.031 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.220 1.665 0.017 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.756 0.134 0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.807 1.287 1.654 1.00 0.00 H new ATOM 265 N CYS A 21 7.412 -3.342 1.985 1.00 0.00 N ATOM 266 CA CYS A 21 8.013 -4.240 2.964 1.00 0.00 C ATOM 267 C CYS A 21 8.029 -5.676 2.447 1.00 0.00 C ATOM 268 O CYS A 21 8.598 -6.568 3.076 1.00 0.00 O ATOM 269 CB CYS A 21 7.247 -4.171 4.288 1.00 0.00 C ATOM 270 SG CYS A 21 5.538 -4.792 4.191 1.00 0.00 S ATOM 0 H CYS A 21 6.392 -3.318 2.005 1.00 0.00 H new ATOM 0 HA CYS A 21 9.042 -3.921 3.130 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.789 -4.745 5.039 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.227 -3.136 4.631 1.00 0.00 H new ATOM 0 HG CYS A 21 5.100 -4.668 2.973 1.00 0.00 H new ATOM 275 N LYS A 22 7.400 -5.892 1.297 1.00 0.00 N ATOM 276 CA LYS A 22 7.341 -7.218 0.693 1.00 0.00 C ATOM 277 C LYS A 22 6.696 -8.221 1.643 1.00 0.00 C ATOM 278 O LYS A 22 7.279 -9.259 1.955 1.00 0.00 O ATOM 279 CB LYS A 22 8.747 -7.690 0.314 1.00 0.00 C ATOM 280 CG LYS A 22 9.328 -6.966 -0.888 1.00 0.00 C ATOM 281 CD LYS A 22 10.031 -5.682 -0.480 1.00 0.00 C ATOM 282 CE LYS A 22 10.896 -5.138 -1.608 1.00 0.00 C ATOM 283 NZ LYS A 22 11.258 -3.710 -1.389 1.00 0.00 N ATOM 0 H LYS A 22 6.923 -5.165 0.764 1.00 0.00 H new ATOM 0 HA LYS A 22 6.730 -7.153 -0.207 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.410 -7.550 1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.718 -8.759 0.105 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.032 -7.620 -1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.531 -6.737 -1.596 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.290 -4.935 -0.195 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.650 -5.868 0.398 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.804 -5.735 -1.689 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.364 -5.237 -2.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.065 -3.166 -2.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.693 -3.325 -0.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.269 -3.640 -1.154 1.00 0.00 H new ATOM 297 N ASP A 23 5.489 -7.903 2.100 1.00 0.00 N ATOM 298 CA ASP A 23 4.763 -8.778 3.013 1.00 0.00 C ATOM 299 C ASP A 23 3.320 -8.963 2.556 1.00 0.00 C ATOM 300 O ASP A 23 2.733 -8.070 1.944 1.00 0.00 O ATOM 301 CB ASP A 23 4.793 -8.208 4.432 1.00 0.00 C ATOM 302 CG ASP A 23 6.126 -8.433 5.118 1.00 0.00 C ATOM 303 OD1 ASP A 23 7.048 -7.619 4.904 1.00 0.00 O ATOM 304 OD2 ASP A 23 6.248 -9.425 5.868 1.00 0.00 O ATOM 0 H ASP A 23 4.993 -7.046 1.853 1.00 0.00 H new ATOM 0 HA ASP A 23 5.253 -9.752 3.011 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.582 -7.139 4.396 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.001 -8.669 5.023 1.00 0.00 H new ATOM 309 N ILE A 24 2.752 -10.126 2.857 1.00 0.00 N ATOM 310 CA ILE A 24 1.378 -10.427 2.477 1.00 0.00 C ATOM 311 C ILE A 24 0.465 -9.232 2.727 1.00 0.00 C ATOM 312 O ILE A 24 0.479 -8.642 3.807 1.00 0.00 O ATOM 313 CB ILE A 24 0.835 -11.645 3.248 1.00 0.00 C ATOM 314 CG1 ILE A 24 1.714 -12.870 2.994 1.00 0.00 C ATOM 315 CG2 ILE A 24 -0.606 -11.926 2.846 1.00 0.00 C ATOM 316 CD1 ILE A 24 1.693 -13.875 4.125 1.00 0.00 C ATOM 0 H ILE A 24 3.223 -10.876 3.363 1.00 0.00 H new ATOM 0 HA ILE A 24 1.388 -10.657 1.412 1.00 0.00 H new ATOM 0 HB ILE A 24 0.857 -11.421 4.315 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.384 -13.360 2.078 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.740 -12.542 2.829 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -0.976 -12.789 3.399 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.223 -11.057 3.074 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.652 -12.133 1.777 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.339 -14.717 3.876 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.051 -13.402 5.039 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.674 -14.231 4.276 1.00 0.00 H new ATOM 328 N MET A 25 -0.331 -8.881 1.722 1.00 0.00 N ATOM 329 CA MET A 25 -1.253 -7.758 1.834 1.00 0.00 C ATOM 330 C MET A 25 -2.626 -8.227 2.307 1.00 0.00 C ATOM 331 O MET A 25 -3.535 -8.431 1.502 1.00 0.00 O ATOM 332 CB MET A 25 -1.382 -7.039 0.490 1.00 0.00 C ATOM 333 CG MET A 25 -0.048 -6.607 -0.098 1.00 0.00 C ATOM 334 SD MET A 25 0.752 -7.918 -1.044 1.00 0.00 S ATOM 335 CE MET A 25 -0.065 -7.740 -2.627 1.00 0.00 C ATOM 0 H MET A 25 -0.356 -9.359 0.821 1.00 0.00 H new ATOM 0 HA MET A 25 -0.851 -7.063 2.572 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.886 -7.697 -0.218 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.016 -6.161 0.616 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.203 -5.742 -0.743 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.614 -6.290 0.708 1.00 0.00 H new ATOM 0 HE1 MET A 25 -0.146 -8.716 -3.106 1.00 0.00 H new ATOM 0 HE2 MET A 25 -1.062 -7.325 -2.477 1.00 0.00 H new ATOM 0 HE3 MET A 25 0.515 -7.071 -3.263 1.00 0.00 H new ATOM 345 N THR A 26 -2.769 -8.398 3.617 1.00 0.00 N ATOM 346 CA THR A 26 -4.030 -8.844 4.197 1.00 0.00 C ATOM 347 C THR A 26 -5.196 -8.004 3.689 1.00 0.00 C ATOM 348 O THR A 26 -6.285 -8.522 3.439 1.00 0.00 O ATOM 349 CB THR A 26 -3.996 -8.778 5.735 1.00 0.00 C ATOM 350 OG1 THR A 26 -5.278 -9.131 6.269 1.00 0.00 O ATOM 351 CG2 THR A 26 -3.609 -7.386 6.209 1.00 0.00 C ATOM 0 H THR A 26 -2.027 -8.234 4.297 1.00 0.00 H new ATOM 0 HA THR A 26 -4.171 -9.880 3.889 1.00 0.00 H new ATOM 0 HB THR A 26 -3.247 -9.486 6.090 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.248 -9.088 7.248 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.592 -7.364 7.299 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.621 -7.133 5.825 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.337 -6.662 5.843 1.00 0.00 H new ATOM 359 N ASP A 27 -4.962 -6.706 3.538 1.00 0.00 N ATOM 360 CA ASP A 27 -5.994 -5.793 3.058 1.00 0.00 C ATOM 361 C ASP A 27 -5.466 -4.927 1.918 1.00 0.00 C ATOM 362 O ASP A 27 -5.711 -3.722 1.876 1.00 0.00 O ATOM 363 CB ASP A 27 -6.491 -4.906 4.200 1.00 0.00 C ATOM 364 CG ASP A 27 -7.674 -4.049 3.794 1.00 0.00 C ATOM 365 OD1 ASP A 27 -8.702 -4.618 3.370 1.00 0.00 O ATOM 366 OD2 ASP A 27 -7.572 -2.809 3.901 1.00 0.00 O ATOM 0 H ASP A 27 -4.067 -6.261 3.741 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.826 -6.389 2.683 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.773 -5.532 5.046 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.678 -4.262 4.537 1.00 0.00 H new ATOM 371 N ALA A 28 -4.739 -5.550 0.996 1.00 0.00 N ATOM 372 CA ALA A 28 -4.178 -4.838 -0.145 1.00 0.00 C ATOM 373 C ALA A 28 -5.122 -3.740 -0.624 1.00 0.00 C ATOM 374 O ALA A 28 -6.324 -3.961 -0.770 1.00 0.00 O ATOM 375 CB ALA A 28 -3.875 -5.809 -1.276 1.00 0.00 C ATOM 0 H ALA A 28 -4.525 -6.547 1.017 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.248 -4.367 0.173 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.457 -5.263 -2.122 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.157 -6.554 -0.933 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.794 -6.307 -1.584 1.00 0.00 H new ATOM 381 N VAL A 29 -4.569 -2.556 -0.869 1.00 0.00 N ATOM 382 CA VAL A 29 -5.362 -1.424 -1.332 1.00 0.00 C ATOM 383 C VAL A 29 -4.843 -0.900 -2.667 1.00 0.00 C ATOM 384 O VAL A 29 -3.654 -0.620 -2.817 1.00 0.00 O ATOM 385 CB VAL A 29 -5.355 -0.275 -0.306 1.00 0.00 C ATOM 386 CG1 VAL A 29 -6.321 -0.570 0.832 1.00 0.00 C ATOM 387 CG2 VAL A 29 -3.949 -0.045 0.224 1.00 0.00 C ATOM 0 H VAL A 29 -3.575 -2.356 -0.754 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.383 -1.784 -1.457 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.685 0.637 -0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.303 0.252 1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.329 -0.682 0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.024 -1.492 1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.962 0.770 0.948 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.589 -0.953 0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.287 0.214 -0.602 1.00 0.00 H new ATOM 397 N VAL A 30 -5.745 -0.769 -3.636 1.00 0.00 N ATOM 398 CA VAL A 30 -5.379 -0.278 -4.959 1.00 0.00 C ATOM 399 C VAL A 30 -5.539 1.235 -5.046 1.00 0.00 C ATOM 400 O VAL A 30 -6.652 1.756 -4.985 1.00 0.00 O ATOM 401 CB VAL A 30 -6.232 -0.938 -6.059 1.00 0.00 C ATOM 402 CG1 VAL A 30 -5.890 -0.355 -7.421 1.00 0.00 C ATOM 403 CG2 VAL A 30 -6.037 -2.446 -6.051 1.00 0.00 C ATOM 0 H VAL A 30 -6.734 -0.996 -3.529 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.333 -0.540 -5.116 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.282 -0.730 -5.855 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.502 -0.833 -8.186 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.086 0.717 -7.417 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.836 -0.531 -7.638 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.647 -2.896 -6.834 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.987 -2.678 -6.230 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.337 -2.847 -5.083 1.00 0.00 H new ATOM 413 N ILE A 31 -4.419 1.936 -5.191 1.00 0.00 N ATOM 414 CA ILE A 31 -4.435 3.390 -5.288 1.00 0.00 C ATOM 415 C ILE A 31 -4.889 3.843 -6.672 1.00 0.00 C ATOM 416 O ILE A 31 -4.458 3.315 -7.697 1.00 0.00 O ATOM 417 CB ILE A 31 -3.048 3.989 -4.992 1.00 0.00 C ATOM 418 CG1 ILE A 31 -3.191 5.389 -4.390 1.00 0.00 C ATOM 419 CG2 ILE A 31 -2.210 4.036 -6.262 1.00 0.00 C ATOM 420 CD1 ILE A 31 -1.951 5.863 -3.665 1.00 0.00 C ATOM 0 H ILE A 31 -3.489 1.520 -5.244 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.143 3.749 -4.541 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.540 3.352 -4.268 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.430 6.095 -5.185 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.032 5.394 -3.697 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.232 4.462 -6.037 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.085 3.026 -6.653 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.712 4.654 -7.007 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.123 6.862 -3.264 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.723 5.178 -2.848 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.112 5.891 -4.360 1.00 0.00 H new ATOM 432 N PRO A 32 -5.778 4.847 -6.704 1.00 0.00 N ATOM 433 CA PRO A 32 -6.308 5.396 -7.955 1.00 0.00 C ATOM 434 C PRO A 32 -5.256 6.173 -8.739 1.00 0.00 C ATOM 435 O PRO A 32 -5.076 5.958 -9.938 1.00 0.00 O ATOM 436 CB PRO A 32 -7.425 6.332 -7.488 1.00 0.00 C ATOM 437 CG PRO A 32 -7.041 6.717 -6.101 1.00 0.00 C ATOM 438 CD PRO A 32 -6.334 5.524 -5.520 1.00 0.00 C ATOM 0 HA PRO A 32 -6.646 4.612 -8.632 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.505 7.206 -8.134 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.394 5.833 -7.506 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.391 7.592 -6.105 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.920 6.975 -5.510 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.551 5.821 -4.822 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.020 4.878 -4.973 1.00 0.00 H new ATOM 446 N CYS A 33 -4.561 7.075 -8.054 1.00 0.00 N ATOM 447 CA CYS A 33 -3.526 7.885 -8.686 1.00 0.00 C ATOM 448 C CYS A 33 -2.861 7.123 -9.829 1.00 0.00 C ATOM 449 O CYS A 33 -2.741 7.634 -10.943 1.00 0.00 O ATOM 450 CB CYS A 33 -2.474 8.299 -7.655 1.00 0.00 C ATOM 451 SG CYS A 33 -1.643 6.899 -6.837 1.00 0.00 S ATOM 0 H CYS A 33 -4.696 7.264 -7.061 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.997 8.779 -9.094 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.722 8.917 -8.147 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.950 8.919 -6.895 1.00 0.00 H new ATOM 0 HG CYS A 33 -0.958 6.228 -7.715 1.00 0.00 H new ATOM 456 N CYS A 34 -2.433 5.898 -9.546 1.00 0.00 N ATOM 457 CA CYS A 34 -1.780 5.064 -10.548 1.00 0.00 C ATOM 458 C CYS A 34 -2.328 3.640 -10.512 1.00 0.00 C ATOM 459 O CYS A 34 -2.794 3.117 -11.524 1.00 0.00 O ATOM 460 CB CYS A 34 -0.267 5.046 -10.320 1.00 0.00 C ATOM 461 SG CYS A 34 0.227 4.532 -8.644 1.00 0.00 S ATOM 0 H CYS A 34 -2.527 5.460 -8.630 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.988 5.490 -11.530 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.191 4.372 -11.045 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.131 6.042 -10.515 1.00 0.00 H new ATOM 0 HG CYS A 34 0.831 5.517 -8.048 1.00 0.00 H new ATOM 466 N GLY A 35 -2.269 3.019 -9.338 1.00 0.00 N ATOM 467 CA GLY A 35 -2.762 1.662 -9.191 1.00 0.00 C ATOM 468 C GLY A 35 -1.666 0.682 -8.826 1.00 0.00 C ATOM 469 O GLY A 35 -0.901 0.248 -9.687 1.00 0.00 O ATOM 0 H GLY A 35 -1.889 3.431 -8.486 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.534 1.641 -8.422 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.231 1.347 -10.123 1.00 0.00 H new ATOM 473 N ASN A 36 -1.587 0.333 -7.546 1.00 0.00 N ATOM 474 CA ASN A 36 -0.572 -0.600 -7.069 1.00 0.00 C ATOM 475 C ASN A 36 -1.050 -1.328 -5.817 1.00 0.00 C ATOM 476 O ASN A 36 -2.039 -0.936 -5.197 1.00 0.00 O ATOM 477 CB ASN A 36 0.734 0.141 -6.775 1.00 0.00 C ATOM 478 CG ASN A 36 1.564 0.366 -8.025 1.00 0.00 C ATOM 479 OD1 ASN A 36 2.254 1.499 -8.080 1.00 0.00 O flip ATOM 480 ND2 ASN A 36 1.585 -0.470 -8.928 1.00 0.00 N flip ATOM 0 H ASN A 36 -2.213 0.682 -6.821 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.394 -1.338 -7.852 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.507 1.103 -6.314 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.318 -0.429 -6.052 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.038 -1.327 -8.842 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.149 -0.306 -9.762 1.00 0.00 H new ATOM 487 N SER A 37 -0.340 -2.390 -5.449 1.00 0.00 N ATOM 488 CA SER A 37 -0.693 -3.176 -4.273 1.00 0.00 C ATOM 489 C SER A 37 0.171 -2.783 -3.078 1.00 0.00 C ATOM 490 O SER A 37 1.399 -2.798 -3.154 1.00 0.00 O ATOM 491 CB SER A 37 -0.532 -4.669 -4.564 1.00 0.00 C ATOM 492 OG SER A 37 0.825 -4.997 -4.812 1.00 0.00 O ATOM 0 H SER A 37 0.483 -2.726 -5.949 1.00 0.00 H new ATOM 0 HA SER A 37 -1.735 -2.971 -4.029 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.901 -5.249 -3.718 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.139 -4.942 -5.427 1.00 0.00 H new ATOM 0 HG SER A 37 1.405 -4.417 -4.276 1.00 0.00 H new ATOM 498 N TYR A 38 -0.481 -2.431 -1.975 1.00 0.00 N ATOM 499 CA TYR A 38 0.226 -2.031 -0.765 1.00 0.00 C ATOM 500 C TYR A 38 -0.551 -2.444 0.481 1.00 0.00 C ATOM 501 O TYR A 38 -1.781 -2.500 0.470 1.00 0.00 O ATOM 502 CB TYR A 38 0.456 -0.518 -0.759 1.00 0.00 C ATOM 503 CG TYR A 38 1.386 -0.043 -1.851 1.00 0.00 C ATOM 504 CD1 TYR A 38 2.733 -0.384 -1.841 1.00 0.00 C ATOM 505 CD2 TYR A 38 0.918 0.747 -2.895 1.00 0.00 C ATOM 506 CE1 TYR A 38 3.587 0.049 -2.837 1.00 0.00 C ATOM 507 CE2 TYR A 38 1.765 1.183 -3.895 1.00 0.00 C ATOM 508 CZ TYR A 38 3.099 0.832 -3.862 1.00 0.00 C ATOM 509 OH TYR A 38 3.946 1.264 -4.856 1.00 0.00 O ATOM 0 H TYR A 38 -1.498 -2.415 -1.895 1.00 0.00 H new ATOM 0 HA TYR A 38 1.191 -2.538 -0.754 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.504 -0.013 -0.866 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.865 -0.225 0.208 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.119 -0.998 -1.041 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.125 1.024 -2.924 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.632 -0.224 -2.813 1.00 0.00 H new ATOM 0 HE2 TYR A 38 1.385 1.796 -4.699 1.00 0.00 H new ATOM 0 HH TYR A 38 3.444 1.804 -5.502 1.00 0.00 H new ATOM 519 N CYS A 39 0.175 -2.730 1.557 1.00 0.00 N ATOM 520 CA CYS A 39 -0.444 -3.137 2.812 1.00 0.00 C ATOM 521 C CYS A 39 -1.264 -1.998 3.410 1.00 0.00 C ATOM 522 O CYS A 39 -0.789 -0.867 3.514 1.00 0.00 O ATOM 523 CB CYS A 39 0.626 -3.588 3.809 1.00 0.00 C ATOM 524 SG CYS A 39 1.840 -4.758 3.119 1.00 0.00 S ATOM 0 H CYS A 39 1.194 -2.687 1.584 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.113 -3.972 2.604 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.154 -2.710 4.180 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.137 -4.052 4.666 1.00 0.00 H new ATOM 0 HG CYS A 39 2.508 -4.179 2.166 1.00 0.00 H new ATOM 529 N ASP A 40 -2.496 -2.304 3.799 1.00 0.00 N ATOM 530 CA ASP A 40 -3.382 -1.306 4.387 1.00 0.00 C ATOM 531 C ASP A 40 -2.595 -0.318 5.242 1.00 0.00 C ATOM 532 O ASP A 40 -2.925 0.867 5.299 1.00 0.00 O ATOM 533 CB ASP A 40 -4.460 -1.986 5.233 1.00 0.00 C ATOM 534 CG ASP A 40 -4.917 -1.123 6.393 1.00 0.00 C ATOM 535 OD1 ASP A 40 -4.270 -1.174 7.459 1.00 0.00 O ATOM 536 OD2 ASP A 40 -5.920 -0.397 6.233 1.00 0.00 O ATOM 0 H ASP A 40 -2.904 -3.235 3.718 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.860 -0.757 3.576 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.316 -2.224 4.602 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.074 -2.931 5.617 1.00 0.00 H new ATOM 541 N GLU A 41 -1.555 -0.813 5.906 1.00 0.00 N ATOM 542 CA GLU A 41 -0.724 0.028 6.759 1.00 0.00 C ATOM 543 C GLU A 41 0.400 0.676 5.955 1.00 0.00 C ATOM 544 O GLU A 41 0.753 1.833 6.182 1.00 0.00 O ATOM 545 CB GLU A 41 -0.137 -0.796 7.907 1.00 0.00 C ATOM 546 CG GLU A 41 0.725 -1.958 7.443 1.00 0.00 C ATOM 547 CD GLU A 41 1.625 -2.492 8.540 1.00 0.00 C ATOM 548 OE1 GLU A 41 2.092 -1.685 9.370 1.00 0.00 O ATOM 549 OE2 GLU A 41 1.862 -3.718 8.568 1.00 0.00 O ATOM 0 H GLU A 41 -1.268 -1.791 5.870 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.352 0.817 7.172 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.460 -0.143 8.544 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.952 -1.181 8.520 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.082 -2.761 7.083 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.337 -1.637 6.600 1.00 0.00 H new ATOM 556 N CYS A 42 0.959 -0.080 5.016 1.00 0.00 N ATOM 557 CA CYS A 42 2.043 0.417 4.179 1.00 0.00 C ATOM 558 C CYS A 42 1.638 1.709 3.474 1.00 0.00 C ATOM 559 O CYS A 42 2.145 2.786 3.789 1.00 0.00 O ATOM 560 CB CYS A 42 2.443 -0.637 3.145 1.00 0.00 C ATOM 561 SG CYS A 42 3.769 -1.757 3.700 1.00 0.00 S ATOM 0 H CYS A 42 0.678 -1.040 4.816 1.00 0.00 H new ATOM 0 HA CYS A 42 2.897 0.627 4.822 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.565 -1.230 2.888 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.765 -0.133 2.234 1.00 0.00 H new ATOM 0 HG CYS A 42 3.341 -2.984 3.670 1.00 0.00 H new ATOM 566 N ILE A 43 0.721 1.591 2.520 1.00 0.00 N ATOM 567 CA ILE A 43 0.245 2.748 1.771 1.00 0.00 C ATOM 568 C ILE A 43 -0.119 3.897 2.706 1.00 0.00 C ATOM 569 O ILE A 43 -0.036 5.066 2.332 1.00 0.00 O ATOM 570 CB ILE A 43 -0.980 2.396 0.907 1.00 0.00 C ATOM 571 CG1 ILE A 43 -1.358 3.579 0.013 1.00 0.00 C ATOM 572 CG2 ILE A 43 -2.152 1.996 1.789 1.00 0.00 C ATOM 573 CD1 ILE A 43 -0.458 3.737 -1.193 1.00 0.00 C ATOM 0 H ILE A 43 0.293 0.706 2.247 1.00 0.00 H new ATOM 0 HA ILE A 43 1.061 3.058 1.119 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.725 1.550 0.269 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.387 3.454 -0.325 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.325 4.495 0.603 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.010 1.750 1.164 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.877 1.127 2.387 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.409 2.824 2.450 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.785 4.595 -1.781 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.569 3.893 -0.863 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.509 2.837 -1.805 1.00 0.00 H new ATOM 585 N ARG A 44 -0.522 3.553 3.926 1.00 0.00 N ATOM 586 CA ARG A 44 -0.899 4.555 4.915 1.00 0.00 C ATOM 587 C ARG A 44 0.325 5.326 5.403 1.00 0.00 C ATOM 588 O ARG A 44 0.433 6.535 5.199 1.00 0.00 O ATOM 589 CB ARG A 44 -1.602 3.892 6.101 1.00 0.00 C ATOM 590 CG ARG A 44 -2.028 4.872 7.183 1.00 0.00 C ATOM 591 CD ARG A 44 -2.967 4.221 8.186 1.00 0.00 C ATOM 592 NE ARG A 44 -2.242 3.519 9.240 1.00 0.00 N ATOM 593 CZ ARG A 44 -2.811 2.656 10.075 1.00 0.00 C ATOM 594 NH1 ARG A 44 -4.106 2.391 9.977 1.00 0.00 N ATOM 595 NH2 ARG A 44 -2.083 2.057 11.008 1.00 0.00 N ATOM 0 H ARG A 44 -0.595 2.589 4.252 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.584 5.257 4.440 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.481 3.359 5.739 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.935 3.149 6.538 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.146 5.250 7.701 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.521 5.730 6.725 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.606 4.983 8.632 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.621 3.520 7.668 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.243 3.701 9.341 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.668 2.850 9.260 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.541 1.728 10.619 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.086 2.259 11.085 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.520 1.395 11.649 1.00 0.00 H new ATOM 609 N THR A 45 1.246 4.617 6.048 1.00 0.00 N ATOM 610 CA THR A 45 2.461 5.233 6.566 1.00 0.00 C ATOM 611 C THR A 45 3.231 5.945 5.459 1.00 0.00 C ATOM 612 O THR A 45 3.792 7.019 5.673 1.00 0.00 O ATOM 613 CB THR A 45 3.381 4.191 7.229 1.00 0.00 C ATOM 614 OG1 THR A 45 4.162 4.809 8.256 1.00 0.00 O ATOM 615 CG2 THR A 45 4.303 3.551 6.201 1.00 0.00 C ATOM 0 H THR A 45 1.173 3.615 6.224 1.00 0.00 H new ATOM 0 HA THR A 45 2.152 5.961 7.316 1.00 0.00 H new ATOM 0 HB THR A 45 2.755 3.414 7.667 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.743 4.139 8.673 1.00 0.00 H new ATOM 0 HG21 THR A 45 4.943 2.819 6.693 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.706 3.055 5.435 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.921 4.320 5.738 1.00 0.00 H new ATOM 623 N ALA A 46 3.254 5.338 4.277 1.00 0.00 N ATOM 624 CA ALA A 46 3.954 5.915 3.137 1.00 0.00 C ATOM 625 C ALA A 46 3.546 7.369 2.921 1.00 0.00 C ATOM 626 O ALA A 46 4.392 8.233 2.685 1.00 0.00 O ATOM 627 CB ALA A 46 3.683 5.098 1.882 1.00 0.00 C ATOM 0 H ALA A 46 2.796 4.447 4.084 1.00 0.00 H new ATOM 0 HA ALA A 46 5.023 5.892 3.349 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.212 5.541 1.038 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.030 4.075 2.032 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.613 5.092 1.676 1.00 0.00 H new ATOM 633 N LEU A 47 2.247 7.633 3.003 1.00 0.00 N ATOM 634 CA LEU A 47 1.727 8.982 2.816 1.00 0.00 C ATOM 635 C LEU A 47 2.309 9.938 3.852 1.00 0.00 C ATOM 636 O LEU A 47 2.687 11.065 3.530 1.00 0.00 O ATOM 637 CB LEU A 47 0.200 8.979 2.909 1.00 0.00 C ATOM 638 CG LEU A 47 -0.531 8.077 1.915 1.00 0.00 C ATOM 639 CD1 LEU A 47 -1.904 7.699 2.447 1.00 0.00 C ATOM 640 CD2 LEU A 47 -0.651 8.760 0.561 1.00 0.00 C ATOM 0 H LEU A 47 1.534 6.930 3.198 1.00 0.00 H new ATOM 0 HA LEU A 47 2.024 9.325 1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.082 8.678 3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.154 10.000 2.771 1.00 0.00 H new ATOM 0 HG LEU A 47 0.051 7.164 1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.409 7.057 1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.794 7.167 3.392 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.494 8.602 2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.174 8.102 -0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.209 9.690 0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.344 8.978 0.174 1.00 0.00 H new ATOM 652 N LEU A 48 2.380 9.481 5.097 1.00 0.00 N ATOM 653 CA LEU A 48 2.918 10.295 6.182 1.00 0.00 C ATOM 654 C LEU A 48 4.343 10.742 5.871 1.00 0.00 C ATOM 655 O LEU A 48 4.687 11.911 6.040 1.00 0.00 O ATOM 656 CB LEU A 48 2.893 9.511 7.495 1.00 0.00 C ATOM 657 CG LEU A 48 1.519 9.325 8.138 1.00 0.00 C ATOM 658 CD1 LEU A 48 0.904 10.671 8.486 1.00 0.00 C ATOM 659 CD2 LEU A 48 0.599 8.540 7.214 1.00 0.00 C ATOM 0 H LEU A 48 2.072 8.551 5.381 1.00 0.00 H new ATOM 0 HA LEU A 48 2.292 11.181 6.283 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.324 8.526 7.315 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.541 10.018 8.210 1.00 0.00 H new ATOM 0 HG LEU A 48 1.646 8.758 9.060 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.074 10.517 8.943 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.553 11.197 9.186 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.791 11.265 7.579 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.375 8.417 7.688 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.480 9.080 6.275 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.032 7.560 7.016 1.00 0.00 H new ATOM 671 N GLU A 49 5.167 9.804 5.415 1.00 0.00 N ATOM 672 CA GLU A 49 6.555 10.103 5.080 1.00 0.00 C ATOM 673 C GLU A 49 6.697 11.539 4.586 1.00 0.00 C ATOM 674 O GLU A 49 7.385 12.353 5.202 1.00 0.00 O ATOM 675 CB GLU A 49 7.065 9.131 4.013 1.00 0.00 C ATOM 676 CG GLU A 49 7.089 7.683 4.470 1.00 0.00 C ATOM 677 CD GLU A 49 8.085 6.843 3.694 1.00 0.00 C ATOM 678 OE1 GLU A 49 9.221 7.316 3.480 1.00 0.00 O ATOM 679 OE2 GLU A 49 7.727 5.714 3.298 1.00 0.00 O ATOM 0 H GLU A 49 4.898 8.831 5.269 1.00 0.00 H new ATOM 0 HA GLU A 49 7.154 9.987 5.983 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.434 9.213 3.128 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.071 9.426 3.716 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.336 7.645 5.531 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.093 7.254 4.359 1.00 0.00 H new ATOM 686 N SER A 50 6.042 11.843 3.470 1.00 0.00 N ATOM 687 CA SER A 50 6.099 13.180 2.890 1.00 0.00 C ATOM 688 C SER A 50 4.881 14.002 3.301 1.00 0.00 C ATOM 689 O SER A 50 3.750 13.681 2.935 1.00 0.00 O ATOM 690 CB SER A 50 6.181 13.094 1.365 1.00 0.00 C ATOM 691 OG SER A 50 7.394 12.490 0.953 1.00 0.00 O ATOM 0 H SER A 50 5.466 11.182 2.949 1.00 0.00 H new ATOM 0 HA SER A 50 6.994 13.676 3.267 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.337 12.519 0.984 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.105 14.093 0.937 1.00 0.00 H new ATOM 0 HG SER A 50 7.421 12.445 -0.026 1.00 0.00 H new ATOM 697 N ASP A 51 5.121 15.064 4.061 1.00 0.00 N ATOM 698 CA ASP A 51 4.045 15.935 4.521 1.00 0.00 C ATOM 699 C ASP A 51 2.949 16.047 3.466 1.00 0.00 C ATOM 700 O ASP A 51 1.761 16.014 3.786 1.00 0.00 O ATOM 701 CB ASP A 51 4.592 17.323 4.857 1.00 0.00 C ATOM 702 CG ASP A 51 5.211 18.008 3.654 1.00 0.00 C ATOM 703 OD1 ASP A 51 6.125 17.418 3.042 1.00 0.00 O ATOM 704 OD2 ASP A 51 4.782 19.134 3.327 1.00 0.00 O ATOM 0 H ASP A 51 6.051 15.343 4.372 1.00 0.00 H new ATOM 0 HA ASP A 51 3.614 15.496 5.421 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.786 17.943 5.250 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.339 17.235 5.646 1.00 0.00 H new ATOM 709 N GLU A 52 3.356 16.181 2.208 1.00 0.00 N ATOM 710 CA GLU A 52 2.408 16.301 1.107 1.00 0.00 C ATOM 711 C GLU A 52 2.199 14.954 0.421 1.00 0.00 C ATOM 712 O GLU A 52 3.087 14.453 -0.270 1.00 0.00 O ATOM 713 CB GLU A 52 2.900 17.333 0.090 1.00 0.00 C ATOM 714 CG GLU A 52 2.525 18.763 0.445 1.00 0.00 C ATOM 715 CD GLU A 52 1.055 18.913 0.782 1.00 0.00 C ATOM 716 OE1 GLU A 52 0.244 19.061 -0.155 1.00 0.00 O ATOM 717 OE2 GLU A 52 0.717 18.885 1.984 1.00 0.00 O ATOM 0 H GLU A 52 4.336 16.209 1.926 1.00 0.00 H new ATOM 0 HA GLU A 52 1.454 16.633 1.517 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.984 17.260 0.007 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.488 17.091 -0.890 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.124 19.092 1.294 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.771 19.418 -0.391 1.00 0.00 H new ATOM 724 N HIS A 53 1.020 14.373 0.616 1.00 0.00 N ATOM 725 CA HIS A 53 0.693 13.084 0.016 1.00 0.00 C ATOM 726 C HIS A 53 1.387 12.922 -1.334 1.00 0.00 C ATOM 727 O HIS A 53 0.965 13.502 -2.335 1.00 0.00 O ATOM 728 CB HIS A 53 -0.820 12.946 -0.154 1.00 0.00 C ATOM 729 CG HIS A 53 -1.577 13.018 1.135 1.00 0.00 C ATOM 730 ND1 HIS A 53 -2.831 13.580 1.241 1.00 0.00 N ATOM 731 CD2 HIS A 53 -1.251 12.594 2.378 1.00 0.00 C ATOM 732 CE1 HIS A 53 -3.244 13.500 2.493 1.00 0.00 C ATOM 733 NE2 HIS A 53 -2.304 12.904 3.204 1.00 0.00 N ATOM 0 H HIS A 53 0.275 14.774 1.185 1.00 0.00 H new ATOM 0 HA HIS A 53 1.048 12.299 0.684 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.176 13.733 -0.819 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -1.037 11.995 -0.641 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.333 12.103 2.667 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.189 13.861 2.871 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -2.352 12.706 4.203 1.00 0.00 H new ATOM 741 N THR A 54 2.455 12.130 -1.354 1.00 0.00 N ATOM 742 CA THR A 54 3.208 11.894 -2.578 1.00 0.00 C ATOM 743 C THR A 54 3.481 10.407 -2.777 1.00 0.00 C ATOM 744 O THR A 54 4.322 9.823 -2.093 1.00 0.00 O ATOM 745 CB THR A 54 4.549 12.653 -2.570 1.00 0.00 C ATOM 746 OG1 THR A 54 4.312 14.062 -2.468 1.00 0.00 O ATOM 747 CG2 THR A 54 5.346 12.357 -3.830 1.00 0.00 C ATOM 0 H THR A 54 2.817 11.641 -0.535 1.00 0.00 H new ATOM 0 HA THR A 54 2.596 12.263 -3.401 1.00 0.00 H new ATOM 0 HB THR A 54 5.127 12.318 -1.708 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.062 14.286 -1.547 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.288 12.904 -3.801 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.549 11.288 -3.889 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.773 12.667 -4.704 1.00 0.00 H new ATOM 755 N CYS A 55 2.765 9.800 -3.718 1.00 0.00 N ATOM 756 CA CYS A 55 2.930 8.381 -4.008 1.00 0.00 C ATOM 757 C CYS A 55 4.407 8.014 -4.108 1.00 0.00 C ATOM 758 O CYS A 55 5.175 8.624 -4.853 1.00 0.00 O ATOM 759 CB CYS A 55 2.214 8.019 -5.311 1.00 0.00 C ATOM 760 SG CYS A 55 1.539 6.327 -5.344 1.00 0.00 S ATOM 0 H CYS A 55 2.065 10.269 -4.293 1.00 0.00 H new ATOM 0 HA CYS A 55 2.488 7.815 -3.188 1.00 0.00 H new ATOM 0 HB2 CYS A 55 1.401 8.726 -5.475 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.911 8.137 -6.141 1.00 0.00 H new ATOM 0 HG CYS A 55 0.359 6.341 -5.888 1.00 0.00 H new ATOM 765 N PRO A 56 4.816 6.993 -3.340 1.00 0.00 N ATOM 766 CA PRO A 56 6.204 6.521 -3.325 1.00 0.00 C ATOM 767 C PRO A 56 6.595 5.828 -4.625 1.00 0.00 C ATOM 768 O PRO A 56 7.758 5.478 -4.829 1.00 0.00 O ATOM 769 CB PRO A 56 6.227 5.526 -2.161 1.00 0.00 C ATOM 770 CG PRO A 56 4.820 5.054 -2.039 1.00 0.00 C ATOM 771 CD PRO A 56 3.955 6.221 -2.429 1.00 0.00 C ATOM 0 HA PRO A 56 6.913 7.342 -3.217 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.907 4.698 -2.362 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.566 6.001 -1.241 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.638 4.199 -2.690 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.604 4.731 -1.021 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.039 5.895 -2.921 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.659 6.810 -1.561 1.00 0.00 H new ATOM 779 N THR A 57 5.617 5.632 -5.504 1.00 0.00 N ATOM 780 CA THR A 57 5.858 4.979 -6.785 1.00 0.00 C ATOM 781 C THR A 57 5.672 5.954 -7.942 1.00 0.00 C ATOM 782 O THR A 57 6.341 5.848 -8.970 1.00 0.00 O ATOM 783 CB THR A 57 4.920 3.775 -6.988 1.00 0.00 C ATOM 784 OG1 THR A 57 5.134 3.200 -8.282 1.00 0.00 O ATOM 785 CG2 THR A 57 3.464 4.193 -6.847 1.00 0.00 C ATOM 0 H THR A 57 4.649 5.917 -5.352 1.00 0.00 H new ATOM 0 HA THR A 57 6.890 4.627 -6.771 1.00 0.00 H new ATOM 0 HB THR A 57 5.144 3.034 -6.220 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.656 2.347 -8.344 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.821 3.326 -6.995 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.298 4.603 -5.851 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.229 4.951 -7.595 1.00 0.00 H new ATOM 793 N CYS A 58 4.761 6.906 -7.767 1.00 0.00 N ATOM 794 CA CYS A 58 4.487 7.901 -8.797 1.00 0.00 C ATOM 795 C CYS A 58 4.516 9.310 -8.212 1.00 0.00 C ATOM 796 O CYS A 58 4.353 9.497 -7.006 1.00 0.00 O ATOM 797 CB CYS A 58 3.128 7.633 -9.446 1.00 0.00 C ATOM 798 SG CYS A 58 1.704 8.110 -8.416 1.00 0.00 S ATOM 0 H CYS A 58 4.200 7.009 -6.921 1.00 0.00 H new ATOM 0 HA CYS A 58 5.265 7.826 -9.557 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.076 8.173 -10.391 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.053 6.571 -9.681 1.00 0.00 H new ATOM 0 HG CYS A 58 1.627 7.317 -7.389 1.00 0.00 H new ATOM 803 N HIS A 59 4.722 10.299 -9.076 1.00 0.00 N ATOM 804 CA HIS A 59 4.769 11.692 -8.646 1.00 0.00 C ATOM 805 C HIS A 59 3.363 12.255 -8.469 1.00 0.00 C ATOM 806 O HIS A 59 3.032 13.307 -9.014 1.00 0.00 O ATOM 807 CB HIS A 59 5.544 12.535 -9.660 1.00 0.00 C ATOM 808 CG HIS A 59 5.622 13.986 -9.298 1.00 0.00 C ATOM 809 ND1 HIS A 59 4.831 14.951 -9.886 1.00 0.00 N ATOM 810 CD2 HIS A 59 6.401 14.635 -8.402 1.00 0.00 C ATOM 811 CE1 HIS A 59 5.122 16.130 -9.368 1.00 0.00 C ATOM 812 NE2 HIS A 59 6.071 15.966 -8.464 1.00 0.00 N ATOM 0 H HIS A 59 4.859 10.162 -10.077 1.00 0.00 H new ATOM 0 HA HIS A 59 5.280 11.732 -7.684 1.00 0.00 H new ATOM 0 HB2 HIS A 59 6.555 12.138 -9.754 1.00 0.00 H new ATOM 0 HB3 HIS A 59 5.072 12.438 -10.637 1.00 0.00 H new ATOM 0 HD2 HIS A 59 7.144 14.189 -7.758 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.662 17.069 -9.638 1.00 0.00 H new ATOM 0 HE2 HIS A 59 6.490 16.708 -7.903 1.00 0.00 H new ATOM 820 N GLN A 60 2.539 11.546 -7.703 1.00 0.00 N ATOM 821 CA GLN A 60 1.168 11.975 -7.455 1.00 0.00 C ATOM 822 C GLN A 60 1.138 13.347 -6.790 1.00 0.00 C ATOM 823 O GLN A 60 2.180 13.903 -6.444 1.00 0.00 O ATOM 824 CB GLN A 60 0.442 10.954 -6.578 1.00 0.00 C ATOM 825 CG GLN A 60 -1.074 11.058 -6.649 1.00 0.00 C ATOM 826 CD GLN A 60 -1.571 11.375 -8.045 1.00 0.00 C ATOM 827 OE1 GLN A 60 -1.069 10.838 -9.033 1.00 0.00 O ATOM 828 NE2 GLN A 60 -2.565 12.251 -8.135 1.00 0.00 N ATOM 0 H GLN A 60 2.797 10.673 -7.244 1.00 0.00 H new ATOM 0 HA GLN A 60 0.658 12.046 -8.415 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.743 9.950 -6.878 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.759 11.086 -5.543 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.515 10.119 -6.315 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.414 11.832 -5.962 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.952 12.672 -7.290 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.942 12.503 -9.049 1.00 0.00 H new ATOM 837 N ASN A 61 -0.064 13.887 -6.613 1.00 0.00 N ATOM 838 CA ASN A 61 -0.228 15.195 -5.988 1.00 0.00 C ATOM 839 C ASN A 61 -0.999 15.079 -4.676 1.00 0.00 C ATOM 840 O ASN A 61 -0.672 15.741 -3.692 1.00 0.00 O ATOM 841 CB ASN A 61 -0.957 16.149 -6.938 1.00 0.00 C ATOM 842 CG ASN A 61 -0.694 15.824 -8.396 1.00 0.00 C ATOM 843 OD1 ASN A 61 0.448 15.850 -8.853 1.00 0.00 O ATOM 844 ND2 ASN A 61 -1.755 15.517 -9.134 1.00 0.00 N ATOM 0 H ASN A 61 -0.937 13.440 -6.893 1.00 0.00 H new ATOM 0 HA ASN A 61 0.763 15.594 -5.772 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.029 16.101 -6.745 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.642 17.172 -6.734 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.641 15.290 -10.122 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -2.684 15.508 -8.713 1.00 0.00 H new ATOM 851 N ASP A 62 -2.024 14.234 -4.673 1.00 0.00 N ATOM 852 CA ASP A 62 -2.840 14.028 -3.482 1.00 0.00 C ATOM 853 C ASP A 62 -3.660 12.748 -3.599 1.00 0.00 C ATOM 854 O ASP A 62 -4.216 12.448 -4.656 1.00 0.00 O ATOM 855 CB ASP A 62 -3.769 15.224 -3.262 1.00 0.00 C ATOM 856 CG ASP A 62 -4.233 15.339 -1.823 1.00 0.00 C ATOM 857 OD1 ASP A 62 -5.044 14.493 -1.393 1.00 0.00 O ATOM 858 OD2 ASP A 62 -3.787 16.276 -1.128 1.00 0.00 O ATOM 0 H ASP A 62 -2.309 13.681 -5.481 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.172 13.933 -2.626 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.252 16.140 -3.548 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.637 15.131 -3.914 1.00 0.00 H new ATOM 863 N VAL A 63 -3.730 11.993 -2.507 1.00 0.00 N ATOM 864 CA VAL A 63 -4.483 10.744 -2.488 1.00 0.00 C ATOM 865 C VAL A 63 -5.041 10.460 -1.097 1.00 0.00 C ATOM 866 O VAL A 63 -4.297 10.400 -0.118 1.00 0.00 O ATOM 867 CB VAL A 63 -3.607 9.555 -2.929 1.00 0.00 C ATOM 868 CG1 VAL A 63 -3.427 9.557 -4.439 1.00 0.00 C ATOM 869 CG2 VAL A 63 -2.261 9.594 -2.223 1.00 0.00 C ATOM 0 H VAL A 63 -3.275 12.224 -1.624 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.308 10.860 -3.191 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.111 8.630 -2.648 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.806 8.711 -4.733 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.401 9.477 -4.922 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.945 10.485 -4.747 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.656 8.747 -2.546 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.747 10.523 -2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -2.414 9.540 -1.145 1.00 0.00 H new ATOM 879 N SER A 64 -6.356 10.288 -1.019 1.00 0.00 N ATOM 880 CA SER A 64 -7.017 10.014 0.253 1.00 0.00 C ATOM 881 C SER A 64 -7.133 8.512 0.492 1.00 0.00 C ATOM 882 O SER A 64 -7.341 7.724 -0.431 1.00 0.00 O ATOM 883 CB SER A 64 -8.406 10.655 0.278 1.00 0.00 C ATOM 884 OG SER A 64 -8.768 11.033 1.595 1.00 0.00 O ATOM 0 H SER A 64 -6.985 10.333 -1.820 1.00 0.00 H new ATOM 0 HA SER A 64 -6.411 10.445 1.050 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.418 11.530 -0.372 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.141 9.954 -0.118 1.00 0.00 H new ATOM 0 HG SER A 64 -9.659 11.442 1.585 1.00 0.00 H new ATOM 890 N PRO A 65 -6.995 8.104 1.762 1.00 0.00 N ATOM 891 CA PRO A 65 -7.082 6.694 2.154 1.00 0.00 C ATOM 892 C PRO A 65 -8.497 6.142 2.027 1.00 0.00 C ATOM 893 O PRO A 65 -8.703 4.929 2.039 1.00 0.00 O ATOM 894 CB PRO A 65 -6.642 6.706 3.621 1.00 0.00 C ATOM 895 CG PRO A 65 -6.952 8.083 4.098 1.00 0.00 C ATOM 896 CD PRO A 65 -6.746 8.987 2.914 1.00 0.00 C ATOM 0 HA PRO A 65 -6.471 6.056 1.516 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -7.179 5.956 4.201 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -5.579 6.483 3.717 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.976 8.148 4.465 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -6.299 8.366 4.924 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.435 9.832 2.929 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.737 9.399 2.894 1.00 0.00 H new ATOM 904 N ASP A 66 -9.468 7.040 1.905 1.00 0.00 N ATOM 905 CA ASP A 66 -10.865 6.643 1.773 1.00 0.00 C ATOM 906 C ASP A 66 -11.150 6.111 0.372 1.00 0.00 C ATOM 907 O ASP A 66 -11.863 5.122 0.205 1.00 0.00 O ATOM 908 CB ASP A 66 -11.785 7.825 2.081 1.00 0.00 C ATOM 909 CG ASP A 66 -13.223 7.559 1.681 1.00 0.00 C ATOM 910 OD1 ASP A 66 -13.770 6.514 2.093 1.00 0.00 O ATOM 911 OD2 ASP A 66 -13.803 8.396 0.958 1.00 0.00 O ATOM 0 H ASP A 66 -9.313 8.048 1.895 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.059 5.846 2.490 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.743 8.046 3.147 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.423 8.710 1.557 1.00 0.00 H new ATOM 916 N ALA A 67 -10.587 6.775 -0.632 1.00 0.00 N ATOM 917 CA ALA A 67 -10.780 6.369 -2.019 1.00 0.00 C ATOM 918 C ALA A 67 -10.293 4.942 -2.246 1.00 0.00 C ATOM 919 O ALA A 67 -10.960 4.146 -2.908 1.00 0.00 O ATOM 920 CB ALA A 67 -10.060 7.329 -2.955 1.00 0.00 C ATOM 0 H ALA A 67 -9.994 7.596 -0.511 1.00 0.00 H new ATOM 0 HA ALA A 67 -11.848 6.400 -2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -10.213 7.014 -3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -10.457 8.335 -2.820 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.994 7.327 -2.729 1.00 0.00 H new ATOM 926 N LEU A 68 -9.127 4.624 -1.693 1.00 0.00 N ATOM 927 CA LEU A 68 -8.551 3.292 -1.836 1.00 0.00 C ATOM 928 C LEU A 68 -9.621 2.216 -1.683 1.00 0.00 C ATOM 929 O LEU A 68 -10.612 2.409 -0.979 1.00 0.00 O ATOM 930 CB LEU A 68 -7.446 3.080 -0.800 1.00 0.00 C ATOM 931 CG LEU A 68 -6.284 4.074 -0.843 1.00 0.00 C ATOM 932 CD1 LEU A 68 -5.244 3.726 0.210 1.00 0.00 C ATOM 933 CD2 LEU A 68 -5.656 4.099 -2.229 1.00 0.00 C ATOM 0 H LEU A 68 -8.563 5.271 -1.142 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.124 3.213 -2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.894 3.119 0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.043 2.075 -0.929 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.673 5.068 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.425 4.444 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.702 3.760 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.858 2.724 0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.831 4.811 -2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.282 3.106 -2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.405 4.398 -2.962 1.00 0.00 H new ATOM 945 N SER A 69 -9.412 1.082 -2.344 1.00 0.00 N ATOM 946 CA SER A 69 -10.360 -0.024 -2.284 1.00 0.00 C ATOM 947 C SER A 69 -10.504 -0.537 -0.854 1.00 0.00 C ATOM 948 O SER A 69 -9.566 -0.469 -0.061 1.00 0.00 O ATOM 949 CB SER A 69 -9.909 -1.161 -3.203 1.00 0.00 C ATOM 950 OG SER A 69 -10.920 -2.145 -3.330 1.00 0.00 O ATOM 0 H SER A 69 -8.594 0.905 -2.927 1.00 0.00 H new ATOM 0 HA SER A 69 -11.330 0.342 -2.621 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.661 -0.761 -4.186 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.002 -1.616 -2.805 1.00 0.00 H new ATOM 0 HG SER A 69 -10.608 -2.860 -3.923 1.00 0.00 H new