USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=18 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 165:sc= 2.16 USER MOD Set 1.2: A 21 CYS SG : rot -36:sc= -1.57 USER MOD Set 1.3: A 39 CYS SG : rot 68:sc= -0.07 USER MOD Set 1.4: A 42 CYS SG : rot 123:sc=-0.00963 USER MOD Set 2.1: A 38 TYR OH : rot -117:sc= 1.16! USER MOD Set 2.2: A 57 THR OG1 : rot -132:sc= 1.31 USER MOD Set 3.1: A 33 CYS SG : rot 149:sc= -11.3! USER MOD Set 3.2: A 34 CYS SG : rot -53:sc= 0.904 USER MOD Set 3.3: A 36 ASN : amide:sc= -4.73! C(o=-14!,f=-11!) USER MOD Set 3.4: A 55 CYS SG : rot 70:sc= 1.23 USER MOD Set 3.5: A 58 CYS SG : rot -51:sc= 0.161 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -129:sc= -1.87! (180deg=-4.41!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 158:sc= 1.27 USER MOD Single : A 53 HIS : no HD1:sc=-0.00914 K(o=-0.0091,f=-0.8) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 60 GLN : amide:sc= -2.04 K(o=-2,f=-6.5!) USER MOD Single : A 61 ASN : amide:sc= -0.361 X(o=-0.36,f=0) USER MOD Single : A 64 SER OG : rot 20:sc= 0.912 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 179 N LEU A 16 -0.009 -11.488 -3.824 1.00 0.00 N ATOM 180 CA LEU A 16 -0.380 -11.498 -2.413 1.00 0.00 C ATOM 181 C LEU A 16 0.508 -10.554 -1.609 1.00 0.00 C ATOM 182 O LEU A 16 0.051 -9.908 -0.666 1.00 0.00 O ATOM 183 CB LEU A 16 -0.277 -12.917 -1.850 1.00 0.00 C ATOM 184 CG LEU A 16 -1.519 -13.794 -2.007 1.00 0.00 C ATOM 185 CD1 LEU A 16 -1.249 -15.199 -1.492 1.00 0.00 C ATOM 186 CD2 LEU A 16 -2.704 -13.176 -1.278 1.00 0.00 C ATOM 0 HA LEU A 16 -1.411 -11.154 -2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.561 -13.418 -2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.037 -12.849 -0.789 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.763 -13.858 -3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.144 -15.809 -1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.429 -15.643 -2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.979 -15.154 -0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.579 -13.814 -1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.470 -13.081 -0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.913 -12.190 -1.693 1.00 0.00 H new ATOM 198 N LEU A 17 1.778 -10.476 -1.991 1.00 0.00 N ATOM 199 CA LEU A 17 2.731 -9.609 -1.307 1.00 0.00 C ATOM 200 C LEU A 17 2.688 -8.195 -1.881 1.00 0.00 C ATOM 201 O LEU A 17 2.200 -7.979 -2.990 1.00 0.00 O ATOM 202 CB LEU A 17 4.145 -10.176 -1.426 1.00 0.00 C ATOM 203 CG LEU A 17 4.381 -11.535 -0.763 1.00 0.00 C ATOM 204 CD1 LEU A 17 5.771 -12.056 -1.095 1.00 0.00 C ATOM 205 CD2 LEU A 17 4.193 -11.432 0.743 1.00 0.00 C ATOM 0 H LEU A 17 2.172 -11.003 -2.771 1.00 0.00 H new ATOM 0 HA LEU A 17 2.453 -9.564 -0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.393 -10.262 -2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.841 -9.457 -0.993 1.00 0.00 H new ATOM 0 HG LEU A 17 3.648 -12.241 -1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.921 -13.023 -0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.869 -12.167 -2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.520 -11.351 -0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.365 -12.407 1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.903 -10.712 1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.177 -11.103 0.961 1.00 0.00 H new ATOM 217 N CYS A 18 3.203 -7.237 -1.118 1.00 0.00 N ATOM 218 CA CYS A 18 3.227 -5.845 -1.549 1.00 0.00 C ATOM 219 C CYS A 18 4.588 -5.479 -2.135 1.00 0.00 C ATOM 220 O CYS A 18 5.553 -6.234 -2.009 1.00 0.00 O ATOM 221 CB CYS A 18 2.899 -4.920 -0.376 1.00 0.00 C ATOM 222 SG CYS A 18 4.207 -4.834 0.891 1.00 0.00 S ATOM 0 H CYS A 18 3.610 -7.400 -0.197 1.00 0.00 H new ATOM 0 HA CYS A 18 2.472 -5.719 -2.325 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.713 -3.917 -0.759 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.975 -5.259 0.093 1.00 0.00 H new ATOM 0 HG CYS A 18 4.001 -3.804 1.658 1.00 0.00 H new ATOM 227 N LEU A 19 4.657 -4.318 -2.776 1.00 0.00 N ATOM 228 CA LEU A 19 5.900 -3.851 -3.380 1.00 0.00 C ATOM 229 C LEU A 19 6.623 -2.878 -2.457 1.00 0.00 C ATOM 230 O LEU A 19 7.299 -1.956 -2.916 1.00 0.00 O ATOM 231 CB LEU A 19 5.614 -3.179 -4.725 1.00 0.00 C ATOM 232 CG LEU A 19 4.658 -3.924 -5.658 1.00 0.00 C ATOM 233 CD1 LEU A 19 4.158 -3.000 -6.757 1.00 0.00 C ATOM 234 CD2 LEU A 19 5.340 -5.146 -6.255 1.00 0.00 C ATOM 0 H LEU A 19 3.867 -3.683 -2.891 1.00 0.00 H new ATOM 0 HA LEU A 19 6.544 -4.715 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.204 -2.188 -4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.561 -3.037 -5.246 1.00 0.00 H new ATOM 0 HG LEU A 19 3.800 -4.260 -5.076 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.479 -3.547 -7.411 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.631 -2.156 -6.311 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.005 -2.634 -7.337 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.645 -5.664 -6.916 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.216 -4.833 -6.823 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.648 -5.818 -5.454 1.00 0.00 H new ATOM 246 N ILE A 20 6.479 -3.089 -1.153 1.00 0.00 N ATOM 247 CA ILE A 20 7.122 -2.232 -0.164 1.00 0.00 C ATOM 248 C ILE A 20 7.897 -3.057 0.858 1.00 0.00 C ATOM 249 O ILE A 20 9.125 -3.122 0.817 1.00 0.00 O ATOM 250 CB ILE A 20 6.094 -1.355 0.574 1.00 0.00 C ATOM 251 CG1 ILE A 20 5.493 -0.322 -0.381 1.00 0.00 C ATOM 252 CG2 ILE A 20 6.743 -0.667 1.765 1.00 0.00 C ATOM 253 CD1 ILE A 20 4.236 0.333 0.150 1.00 0.00 C ATOM 0 H ILE A 20 5.923 -3.846 -0.757 1.00 0.00 H new ATOM 0 HA ILE A 20 7.814 -1.588 -0.707 1.00 0.00 H new ATOM 0 HB ILE A 20 5.291 -1.994 0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.236 0.449 -0.584 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.267 -0.806 -1.331 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.004 -0.051 2.276 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.128 -1.419 2.454 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.563 -0.038 1.419 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.865 1.054 -0.579 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.476 -0.428 0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.460 0.846 1.085 1.00 0.00 H new ATOM 265 N CYS A 21 7.170 -3.688 1.774 1.00 0.00 N ATOM 266 CA CYS A 21 7.788 -4.511 2.807 1.00 0.00 C ATOM 267 C CYS A 21 7.744 -5.987 2.425 1.00 0.00 C ATOM 268 O CYS A 21 8.303 -6.837 3.118 1.00 0.00 O ATOM 269 CB CYS A 21 7.081 -4.299 4.147 1.00 0.00 C ATOM 270 SG CYS A 21 5.457 -5.115 4.269 1.00 0.00 S ATOM 0 H CYS A 21 6.152 -3.645 1.822 1.00 0.00 H new ATOM 0 HA CYS A 21 8.831 -4.209 2.902 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.723 -4.669 4.947 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.951 -3.229 4.312 1.00 0.00 H new ATOM 0 HG CYS A 21 4.863 -5.073 3.114 1.00 0.00 H new ATOM 275 N LYS A 22 7.076 -6.286 1.316 1.00 0.00 N ATOM 276 CA LYS A 22 6.958 -7.659 0.838 1.00 0.00 C ATOM 277 C LYS A 22 6.261 -8.537 1.872 1.00 0.00 C ATOM 278 O LYS A 22 6.711 -9.645 2.163 1.00 0.00 O ATOM 279 CB LYS A 22 8.343 -8.229 0.519 1.00 0.00 C ATOM 280 CG LYS A 22 9.143 -7.377 -0.451 1.00 0.00 C ATOM 281 CD LYS A 22 8.521 -7.381 -1.838 1.00 0.00 C ATOM 282 CE LYS A 22 9.575 -7.203 -2.921 1.00 0.00 C ATOM 283 NZ LYS A 22 10.004 -5.783 -3.049 1.00 0.00 N ATOM 0 H LYS A 22 6.607 -5.595 0.730 1.00 0.00 H new ATOM 0 HA LYS A 22 6.356 -7.651 -0.071 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.906 -8.334 1.447 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.228 -9.229 0.101 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.198 -6.354 -0.079 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.165 -7.751 -0.508 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.989 -8.319 -1.997 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.785 -6.581 -1.910 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.440 -7.825 -2.691 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.178 -7.550 -3.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.722 -5.703 -3.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.183 -5.193 -3.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.407 -5.459 -2.146 1.00 0.00 H new ATOM 297 N ASP A 23 5.160 -8.036 2.421 1.00 0.00 N ATOM 298 CA ASP A 23 4.399 -8.776 3.421 1.00 0.00 C ATOM 299 C ASP A 23 2.941 -8.921 2.996 1.00 0.00 C ATOM 300 O ASP A 23 2.355 -7.996 2.432 1.00 0.00 O ATOM 301 CB ASP A 23 4.481 -8.075 4.777 1.00 0.00 C ATOM 302 CG ASP A 23 4.080 -8.984 5.924 1.00 0.00 C ATOM 303 OD1 ASP A 23 2.863 -9.139 6.160 1.00 0.00 O ATOM 304 OD2 ASP A 23 4.983 -9.539 6.583 1.00 0.00 O ATOM 0 H ASP A 23 4.774 -7.120 2.190 1.00 0.00 H new ATOM 0 HA ASP A 23 4.834 -9.772 3.509 1.00 0.00 H new ATOM 0 HB2 ASP A 23 5.499 -7.719 4.938 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.834 -7.198 4.769 1.00 0.00 H new ATOM 309 N ILE A 24 2.363 -10.085 3.270 1.00 0.00 N ATOM 310 CA ILE A 24 0.975 -10.350 2.916 1.00 0.00 C ATOM 311 C ILE A 24 0.078 -9.172 3.286 1.00 0.00 C ATOM 312 O ILE A 24 -0.084 -8.848 4.462 1.00 0.00 O ATOM 313 CB ILE A 24 0.448 -11.619 3.612 1.00 0.00 C ATOM 314 CG1 ILE A 24 1.322 -12.822 3.256 1.00 0.00 C ATOM 315 CG2 ILE A 24 -1.000 -11.875 3.222 1.00 0.00 C ATOM 316 CD1 ILE A 24 1.229 -13.227 1.801 1.00 0.00 C ATOM 0 H ILE A 24 2.835 -10.860 3.736 1.00 0.00 H new ATOM 0 HA ILE A 24 0.949 -10.500 1.837 1.00 0.00 H new ATOM 0 HB ILE A 24 0.492 -11.469 4.691 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.360 -12.590 3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.033 -13.668 3.879 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.358 -12.775 3.722 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.613 -11.025 3.522 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.068 -12.008 2.142 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.875 -14.086 1.621 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.199 -13.491 1.562 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.546 -12.396 1.171 1.00 0.00 H new ATOM 328 N MET A 25 -0.501 -8.537 2.272 1.00 0.00 N ATOM 329 CA MET A 25 -1.384 -7.396 2.491 1.00 0.00 C ATOM 330 C MET A 25 -2.746 -7.853 3.002 1.00 0.00 C ATOM 331 O MET A 25 -3.629 -8.205 2.219 1.00 0.00 O ATOM 332 CB MET A 25 -1.552 -6.599 1.196 1.00 0.00 C ATOM 333 CG MET A 25 -0.235 -6.177 0.566 1.00 0.00 C ATOM 334 SD MET A 25 -0.450 -5.448 -1.069 1.00 0.00 S ATOM 335 CE MET A 25 -0.927 -6.887 -2.022 1.00 0.00 C ATOM 0 H MET A 25 -0.375 -8.792 1.292 1.00 0.00 H new ATOM 0 HA MET A 25 -0.929 -6.755 3.247 1.00 0.00 H new ATOM 0 HB2 MET A 25 -2.112 -7.200 0.479 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.148 -5.710 1.401 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.261 -5.458 1.218 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.421 -7.044 0.490 1.00 0.00 H new ATOM 0 HE1 MET A 25 -0.302 -6.958 -2.912 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.798 -7.784 -1.416 1.00 0.00 H new ATOM 0 HE3 MET A 25 -1.972 -6.797 -2.319 1.00 0.00 H new ATOM 345 N THR A 26 -2.911 -7.845 4.321 1.00 0.00 N ATOM 346 CA THR A 26 -4.166 -8.260 4.937 1.00 0.00 C ATOM 347 C THR A 26 -5.357 -7.587 4.265 1.00 0.00 C ATOM 348 O THR A 26 -6.412 -8.197 4.096 1.00 0.00 O ATOM 349 CB THR A 26 -4.187 -7.934 6.442 1.00 0.00 C ATOM 350 OG1 THR A 26 -5.450 -8.308 7.006 1.00 0.00 O ATOM 351 CG2 THR A 26 -3.939 -6.453 6.679 1.00 0.00 C ATOM 0 H THR A 26 -2.191 -7.556 4.984 1.00 0.00 H new ATOM 0 HA THR A 26 -4.241 -9.339 4.806 1.00 0.00 H new ATOM 0 HB THR A 26 -3.391 -8.501 6.925 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.455 -8.099 7.963 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.959 -6.248 7.749 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.965 -6.178 6.274 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.715 -5.870 6.183 1.00 0.00 H new ATOM 359 N ASP A 27 -5.180 -6.326 3.885 1.00 0.00 N ATOM 360 CA ASP A 27 -6.241 -5.570 3.229 1.00 0.00 C ATOM 361 C ASP A 27 -5.725 -4.898 1.961 1.00 0.00 C ATOM 362 O ASP A 27 -5.417 -3.706 1.959 1.00 0.00 O ATOM 363 CB ASP A 27 -6.811 -4.518 4.182 1.00 0.00 C ATOM 364 CG ASP A 27 -7.874 -5.086 5.103 1.00 0.00 C ATOM 365 OD1 ASP A 27 -8.954 -5.459 4.601 1.00 0.00 O ATOM 366 OD2 ASP A 27 -7.625 -5.157 6.325 1.00 0.00 O ATOM 0 H ASP A 27 -4.313 -5.806 4.020 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.033 -6.267 2.953 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.003 -4.098 4.780 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.237 -3.699 3.602 1.00 0.00 H new ATOM 371 N ALA A 28 -5.633 -5.671 0.884 1.00 0.00 N ATOM 372 CA ALA A 28 -5.155 -5.150 -0.392 1.00 0.00 C ATOM 373 C ALA A 28 -5.754 -3.778 -0.683 1.00 0.00 C ATOM 374 O ALA A 28 -6.948 -3.556 -0.481 1.00 0.00 O ATOM 375 CB ALA A 28 -5.485 -6.122 -1.515 1.00 0.00 C ATOM 0 H ALA A 28 -5.883 -6.660 0.869 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.073 -5.039 -0.329 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.123 -5.721 -2.462 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.004 -7.081 -1.319 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.565 -6.262 -1.570 1.00 0.00 H new ATOM 381 N VAL A 29 -4.918 -2.862 -1.159 1.00 0.00 N ATOM 382 CA VAL A 29 -5.365 -1.511 -1.480 1.00 0.00 C ATOM 383 C VAL A 29 -4.762 -1.031 -2.795 1.00 0.00 C ATOM 384 O VAL A 29 -3.563 -1.179 -3.032 1.00 0.00 O ATOM 385 CB VAL A 29 -4.994 -0.518 -0.363 1.00 0.00 C ATOM 386 CG1 VAL A 29 -5.926 -0.680 0.827 1.00 0.00 C ATOM 387 CG2 VAL A 29 -3.543 -0.705 0.056 1.00 0.00 C ATOM 0 H VAL A 29 -3.927 -3.030 -1.331 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.450 -1.550 -1.575 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.109 0.495 -0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.648 0.030 1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -6.953 -0.491 0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.846 -1.695 1.216 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.298 0.005 0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.398 -1.721 0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.892 -0.533 -0.801 1.00 0.00 H new ATOM 397 N VAL A 30 -5.602 -0.452 -3.648 1.00 0.00 N ATOM 398 CA VAL A 30 -5.152 0.053 -4.940 1.00 0.00 C ATOM 399 C VAL A 30 -5.259 1.572 -5.003 1.00 0.00 C ATOM 400 O VAL A 30 -6.352 2.132 -4.911 1.00 0.00 O ATOM 401 CB VAL A 30 -5.967 -0.557 -6.096 1.00 0.00 C ATOM 402 CG1 VAL A 30 -5.517 0.020 -7.429 1.00 0.00 C ATOM 403 CG2 VAL A 30 -5.844 -2.073 -6.092 1.00 0.00 C ATOM 0 H VAL A 30 -6.597 -0.321 -3.467 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.108 -0.240 -5.048 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.017 -0.301 -5.953 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.104 -0.423 -8.234 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.663 1.100 -7.426 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.462 -0.203 -7.584 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.426 -2.487 -6.915 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.797 -2.353 -6.210 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.220 -2.466 -5.148 1.00 0.00 H new ATOM 413 N ILE A 31 -4.118 2.235 -5.160 1.00 0.00 N ATOM 414 CA ILE A 31 -4.083 3.690 -5.238 1.00 0.00 C ATOM 415 C ILE A 31 -4.502 4.177 -6.620 1.00 0.00 C ATOM 416 O ILE A 31 -4.088 3.638 -7.647 1.00 0.00 O ATOM 417 CB ILE A 31 -2.681 4.238 -4.915 1.00 0.00 C ATOM 418 CG1 ILE A 31 -2.776 5.681 -4.417 1.00 0.00 C ATOM 419 CG2 ILE A 31 -1.785 4.153 -6.142 1.00 0.00 C ATOM 420 CD1 ILE A 31 -1.474 6.214 -3.860 1.00 0.00 C ATOM 0 H ILE A 31 -3.205 1.787 -5.236 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.789 4.062 -4.496 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.242 3.629 -4.125 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.099 6.320 -5.239 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.544 5.741 -3.646 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.797 4.544 -5.899 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.696 3.113 -6.457 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.219 4.741 -6.951 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.615 7.242 -3.526 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.160 5.598 -3.017 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.708 6.186 -4.635 1.00 0.00 H new ATOM 432 N PRO A 32 -5.343 5.222 -6.651 1.00 0.00 N ATOM 433 CA PRO A 32 -5.834 5.807 -7.902 1.00 0.00 C ATOM 434 C PRO A 32 -4.739 6.540 -8.669 1.00 0.00 C ATOM 435 O PRO A 32 -4.582 6.356 -9.876 1.00 0.00 O ATOM 436 CB PRO A 32 -6.911 6.790 -7.435 1.00 0.00 C ATOM 437 CG PRO A 32 -6.521 7.144 -6.041 1.00 0.00 C ATOM 438 CD PRO A 32 -5.877 5.913 -5.465 1.00 0.00 C ATOM 0 HA PRO A 32 -6.202 5.046 -8.591 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -6.945 7.673 -8.073 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -7.902 6.336 -7.466 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.830 7.987 -6.031 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.392 7.439 -5.455 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.087 6.166 -4.758 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.598 5.295 -4.930 1.00 0.00 H new ATOM 446 N CYS A 33 -3.983 7.373 -7.960 1.00 0.00 N ATOM 447 CA CYS A 33 -2.903 8.135 -8.574 1.00 0.00 C ATOM 448 C CYS A 33 -2.281 7.360 -9.733 1.00 0.00 C ATOM 449 O CYS A 33 -2.158 7.876 -10.844 1.00 0.00 O ATOM 450 CB CYS A 33 -1.830 8.466 -7.533 1.00 0.00 C ATOM 451 SG CYS A 33 -1.120 7.007 -6.708 1.00 0.00 S ATOM 0 H CYS A 33 -4.099 7.537 -6.960 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.321 9.063 -8.964 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.028 9.022 -8.018 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.262 9.123 -6.778 1.00 0.00 H new ATOM 0 HG CYS A 33 0.118 7.247 -6.392 1.00 0.00 H new ATOM 456 N CYS A 34 -1.890 6.119 -9.465 1.00 0.00 N ATOM 457 CA CYS A 34 -1.281 5.272 -10.483 1.00 0.00 C ATOM 458 C CYS A 34 -1.877 3.867 -10.450 1.00 0.00 C ATOM 459 O CYS A 34 -2.349 3.359 -11.465 1.00 0.00 O ATOM 460 CB CYS A 34 0.233 5.200 -10.277 1.00 0.00 C ATOM 461 SG CYS A 34 0.733 4.670 -8.607 1.00 0.00 S ATOM 0 H CYS A 34 -1.984 5.677 -8.550 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.488 5.713 -11.458 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.656 4.510 -11.007 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.663 6.181 -10.479 1.00 0.00 H new ATOM 0 HG CYS A 34 0.150 5.421 -7.721 1.00 0.00 H new ATOM 466 N GLY A 35 -1.850 3.246 -9.275 1.00 0.00 N ATOM 467 CA GLY A 35 -2.390 1.907 -9.131 1.00 0.00 C ATOM 468 C GLY A 35 -1.344 0.905 -8.685 1.00 0.00 C ATOM 469 O GLY A 35 -0.485 0.503 -9.467 1.00 0.00 O ATOM 0 H GLY A 35 -1.464 3.646 -8.420 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.205 1.923 -8.407 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.814 1.586 -10.082 1.00 0.00 H new ATOM 473 N ASN A 36 -1.417 0.501 -7.420 1.00 0.00 N ATOM 474 CA ASN A 36 -0.467 -0.459 -6.869 1.00 0.00 C ATOM 475 C ASN A 36 -1.026 -1.116 -5.611 1.00 0.00 C ATOM 476 O ASN A 36 -1.887 -0.554 -4.935 1.00 0.00 O ATOM 477 CB ASN A 36 0.861 0.231 -6.550 1.00 0.00 C ATOM 478 CG ASN A 36 1.714 0.442 -7.787 1.00 0.00 C ATOM 479 OD1 ASN A 36 2.221 -0.512 -8.376 1.00 0.00 O ATOM 480 ND2 ASN A 36 1.875 1.699 -8.187 1.00 0.00 N ATOM 0 H ASN A 36 -2.123 0.823 -6.758 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.296 -1.233 -7.617 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.663 1.194 -6.080 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.415 -0.369 -5.828 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.438 1.903 -9.013 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.436 2.460 -7.668 1.00 0.00 H new ATOM 487 N SER A 37 -0.528 -2.309 -5.302 1.00 0.00 N ATOM 488 CA SER A 37 -0.980 -3.045 -4.126 1.00 0.00 C ATOM 489 C SER A 37 -0.033 -2.823 -2.951 1.00 0.00 C ATOM 490 O SER A 37 1.179 -3.000 -3.074 1.00 0.00 O ATOM 491 CB SER A 37 -1.081 -4.538 -4.440 1.00 0.00 C ATOM 492 OG SER A 37 -1.925 -4.769 -5.555 1.00 0.00 O ATOM 0 H SER A 37 0.188 -2.787 -5.849 1.00 0.00 H new ATOM 0 HA SER A 37 -1.967 -2.672 -3.851 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.088 -4.938 -4.643 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.468 -5.070 -3.571 1.00 0.00 H new ATOM 0 HG SER A 37 -1.972 -5.731 -5.736 1.00 0.00 H new ATOM 498 N TYR A 38 -0.595 -2.436 -1.811 1.00 0.00 N ATOM 499 CA TYR A 38 0.198 -2.188 -0.613 1.00 0.00 C ATOM 500 C TYR A 38 -0.576 -2.579 0.643 1.00 0.00 C ATOM 501 O TYR A 38 -1.806 -2.637 0.636 1.00 0.00 O ATOM 502 CB TYR A 38 0.601 -0.715 -0.539 1.00 0.00 C ATOM 503 CG TYR A 38 1.442 -0.257 -1.710 1.00 0.00 C ATOM 504 CD1 TYR A 38 2.674 -0.840 -1.975 1.00 0.00 C ATOM 505 CD2 TYR A 38 1.002 0.758 -2.551 1.00 0.00 C ATOM 506 CE1 TYR A 38 3.445 -0.425 -3.043 1.00 0.00 C ATOM 507 CE2 TYR A 38 1.766 1.179 -3.622 1.00 0.00 C ATOM 508 CZ TYR A 38 2.987 0.584 -3.864 1.00 0.00 C ATOM 509 OH TYR A 38 3.751 1.000 -4.930 1.00 0.00 O ATOM 0 H TYR A 38 -1.597 -2.287 -1.692 1.00 0.00 H new ATOM 0 HA TYR A 38 1.097 -2.801 -0.670 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.299 -0.103 -0.488 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.155 -0.545 0.384 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.035 -1.631 -1.335 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.047 1.226 -2.364 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.402 -0.888 -3.234 1.00 0.00 H new ATOM 0 HE2 TYR A 38 1.410 1.969 -4.266 1.00 0.00 H new ATOM 0 HH TYR A 38 4.005 1.938 -4.804 1.00 0.00 H new ATOM 519 N CYS A 39 0.155 -2.846 1.720 1.00 0.00 N ATOM 520 CA CYS A 39 -0.460 -3.231 2.985 1.00 0.00 C ATOM 521 C CYS A 39 -1.268 -2.077 3.571 1.00 0.00 C ATOM 522 O CYS A 39 -0.819 -0.931 3.577 1.00 0.00 O ATOM 523 CB CYS A 39 0.612 -3.676 3.982 1.00 0.00 C ATOM 524 SG CYS A 39 1.667 -5.034 3.383 1.00 0.00 S ATOM 0 H CYS A 39 1.174 -2.803 1.742 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.137 -4.064 2.793 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.243 -2.821 4.227 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.126 -3.988 4.906 1.00 0.00 H new ATOM 0 HG CYS A 39 2.402 -4.611 2.398 1.00 0.00 H new ATOM 529 N ASP A 40 -2.462 -2.388 4.064 1.00 0.00 N ATOM 530 CA ASP A 40 -3.333 -1.379 4.654 1.00 0.00 C ATOM 531 C ASP A 40 -2.516 -0.310 5.372 1.00 0.00 C ATOM 532 O ASP A 40 -2.883 0.866 5.379 1.00 0.00 O ATOM 533 CB ASP A 40 -4.316 -2.028 5.628 1.00 0.00 C ATOM 534 CG ASP A 40 -4.715 -1.097 6.756 1.00 0.00 C ATOM 535 OD1 ASP A 40 -3.836 -0.737 7.566 1.00 0.00 O ATOM 536 OD2 ASP A 40 -5.906 -0.728 6.828 1.00 0.00 O ATOM 0 H ASP A 40 -2.849 -3.332 4.067 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.894 -0.903 3.849 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.208 -2.339 5.085 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.867 -2.929 6.046 1.00 0.00 H new ATOM 541 N GLU A 41 -1.409 -0.726 5.978 1.00 0.00 N ATOM 542 CA GLU A 41 -0.541 0.196 6.702 1.00 0.00 C ATOM 543 C GLU A 41 0.535 0.766 5.782 1.00 0.00 C ATOM 544 O GLU A 41 0.735 1.979 5.718 1.00 0.00 O ATOM 545 CB GLU A 41 0.111 -0.510 7.892 1.00 0.00 C ATOM 546 CG GLU A 41 0.905 0.422 8.792 1.00 0.00 C ATOM 547 CD GLU A 41 2.000 -0.297 9.555 1.00 0.00 C ATOM 548 OE1 GLU A 41 1.710 -0.842 10.640 1.00 0.00 O ATOM 549 OE2 GLU A 41 3.150 -0.316 9.065 1.00 0.00 O ATOM 0 H GLU A 41 -1.092 -1.695 5.982 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.154 1.019 7.069 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.664 -0.999 8.483 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.772 -1.294 7.521 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.348 1.214 8.188 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.229 0.901 9.500 1.00 0.00 H new ATOM 556 N CYS A 42 1.228 -0.119 5.073 1.00 0.00 N ATOM 557 CA CYS A 42 2.284 0.294 4.157 1.00 0.00 C ATOM 558 C CYS A 42 1.912 1.590 3.445 1.00 0.00 C ATOM 559 O CYS A 42 2.623 2.592 3.545 1.00 0.00 O ATOM 560 CB CYS A 42 2.555 -0.807 3.128 1.00 0.00 C ATOM 561 SG CYS A 42 3.809 -2.021 3.650 1.00 0.00 S ATOM 0 H CYS A 42 1.077 -1.127 5.115 1.00 0.00 H new ATOM 0 HA CYS A 42 3.188 0.468 4.740 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.623 -1.331 2.919 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.878 -0.346 2.195 1.00 0.00 H new ATOM 0 HG CYS A 42 3.295 -3.215 3.624 1.00 0.00 H new ATOM 566 N ILE A 43 0.795 1.566 2.727 1.00 0.00 N ATOM 567 CA ILE A 43 0.328 2.739 1.999 1.00 0.00 C ATOM 568 C ILE A 43 -0.025 3.873 2.955 1.00 0.00 C ATOM 569 O ILE A 43 0.108 5.049 2.616 1.00 0.00 O ATOM 570 CB ILE A 43 -0.903 2.412 1.133 1.00 0.00 C ATOM 571 CG1 ILE A 43 -1.308 3.631 0.303 1.00 0.00 C ATOM 572 CG2 ILE A 43 -2.059 1.950 2.007 1.00 0.00 C ATOM 573 CD1 ILE A 43 -0.348 3.942 -0.824 1.00 0.00 C ATOM 0 H ILE A 43 0.196 0.746 2.634 1.00 0.00 H new ATOM 0 HA ILE A 43 1.145 3.053 1.350 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.644 1.602 0.451 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.301 3.463 -0.113 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.379 4.499 0.958 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.921 1.723 1.380 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.765 1.056 2.557 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.321 2.740 2.711 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.699 4.818 -1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.642 4.142 -0.414 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.295 3.090 -1.502 1.00 0.00 H new ATOM 585 N ARG A 44 -0.475 3.512 4.153 1.00 0.00 N ATOM 586 CA ARG A 44 -0.846 4.500 5.159 1.00 0.00 C ATOM 587 C ARG A 44 0.372 5.299 5.612 1.00 0.00 C ATOM 588 O ARG A 44 0.314 6.523 5.738 1.00 0.00 O ATOM 589 CB ARG A 44 -1.496 3.814 6.362 1.00 0.00 C ATOM 590 CG ARG A 44 -2.068 4.786 7.381 1.00 0.00 C ATOM 591 CD ARG A 44 -2.439 4.081 8.677 1.00 0.00 C ATOM 592 NE ARG A 44 -3.493 4.785 9.401 1.00 0.00 N ATOM 593 CZ ARG A 44 -4.788 4.628 9.152 1.00 0.00 C ATOM 594 NH1 ARG A 44 -5.187 3.794 8.200 1.00 0.00 N ATOM 595 NH2 ARG A 44 -5.688 5.304 9.854 1.00 0.00 N ATOM 0 H ARG A 44 -0.591 2.543 4.450 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.563 5.187 4.710 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.293 3.159 6.009 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.756 3.181 6.852 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.339 5.569 7.588 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.950 5.273 6.965 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.767 3.065 8.456 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.556 4.000 9.311 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.220 5.434 10.139 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.499 3.272 7.658 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.182 3.675 8.010 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.386 5.946 10.587 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.682 5.182 9.661 1.00 0.00 H new ATOM 609 N THR A 45 1.475 4.600 5.857 1.00 0.00 N ATOM 610 CA THR A 45 2.707 5.242 6.298 1.00 0.00 C ATOM 611 C THR A 45 3.285 6.132 5.203 1.00 0.00 C ATOM 612 O THR A 45 3.434 7.340 5.385 1.00 0.00 O ATOM 613 CB THR A 45 3.766 4.203 6.712 1.00 0.00 C ATOM 614 OG1 THR A 45 3.231 3.331 7.714 1.00 0.00 O ATOM 615 CG2 THR A 45 5.015 4.889 7.245 1.00 0.00 C ATOM 0 H THR A 45 1.541 3.587 5.757 1.00 0.00 H new ATOM 0 HA THR A 45 2.452 5.854 7.163 1.00 0.00 H new ATOM 0 HB THR A 45 4.037 3.621 5.831 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.910 2.672 7.971 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.749 4.136 7.531 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.436 5.531 6.471 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.756 5.492 8.115 1.00 0.00 H new ATOM 623 N ALA A 46 3.608 5.527 4.065 1.00 0.00 N ATOM 624 CA ALA A 46 4.168 6.265 2.939 1.00 0.00 C ATOM 625 C ALA A 46 3.575 7.668 2.854 1.00 0.00 C ATOM 626 O ALA A 46 4.288 8.663 2.991 1.00 0.00 O ATOM 627 CB ALA A 46 3.929 5.509 1.641 1.00 0.00 C ATOM 0 H ALA A 46 3.492 4.528 3.898 1.00 0.00 H new ATOM 0 HA ALA A 46 5.242 6.361 3.097 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.352 6.072 0.809 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.406 4.530 1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.858 5.383 1.486 1.00 0.00 H new ATOM 633 N LEU A 47 2.268 7.740 2.625 1.00 0.00 N ATOM 634 CA LEU A 47 1.580 9.021 2.521 1.00 0.00 C ATOM 635 C LEU A 47 2.065 9.990 3.594 1.00 0.00 C ATOM 636 O LEU A 47 2.386 11.143 3.306 1.00 0.00 O ATOM 637 CB LEU A 47 0.068 8.822 2.644 1.00 0.00 C ATOM 638 CG LEU A 47 -0.580 7.932 1.583 1.00 0.00 C ATOM 639 CD1 LEU A 47 -2.039 7.670 1.924 1.00 0.00 C ATOM 640 CD2 LEU A 47 -0.459 8.569 0.207 1.00 0.00 C ATOM 0 H LEU A 47 1.664 6.926 2.508 1.00 0.00 H new ATOM 0 HA LEU A 47 1.806 9.448 1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.144 8.397 3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.411 9.801 2.611 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.055 6.977 1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.483 7.035 1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.103 7.171 2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.578 8.616 1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.926 7.922 -0.536 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.959 9.538 0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.594 8.704 -0.040 1.00 0.00 H new ATOM 652 N LEU A 48 2.121 9.512 4.833 1.00 0.00 N ATOM 653 CA LEU A 48 2.570 10.335 5.951 1.00 0.00 C ATOM 654 C LEU A 48 4.052 10.671 5.818 1.00 0.00 C ATOM 655 O LEU A 48 4.430 11.840 5.767 1.00 0.00 O ATOM 656 CB LEU A 48 2.314 9.615 7.276 1.00 0.00 C ATOM 657 CG LEU A 48 0.921 9.793 7.880 1.00 0.00 C ATOM 658 CD1 LEU A 48 -0.100 8.960 7.121 1.00 0.00 C ATOM 659 CD2 LEU A 48 0.928 9.420 9.355 1.00 0.00 C ATOM 0 H LEU A 48 1.861 8.559 5.088 1.00 0.00 H new ATOM 0 HA LEU A 48 2.003 11.266 5.936 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.490 8.550 7.127 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.050 9.961 8.002 1.00 0.00 H new ATOM 0 HG LEU A 48 0.639 10.842 7.793 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.086 9.099 7.565 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.124 9.276 6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.177 7.907 7.175 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.072 9.553 9.769 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.231 8.379 9.466 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.630 10.061 9.889 1.00 0.00 H new ATOM 671 N GLU A 49 4.884 9.636 5.762 1.00 0.00 N ATOM 672 CA GLU A 49 6.326 9.823 5.633 1.00 0.00 C ATOM 673 C GLU A 49 6.645 10.900 4.602 1.00 0.00 C ATOM 674 O GLU A 49 7.317 11.886 4.905 1.00 0.00 O ATOM 675 CB GLU A 49 6.999 8.507 5.239 1.00 0.00 C ATOM 676 CG GLU A 49 6.834 7.405 6.272 1.00 0.00 C ATOM 677 CD GLU A 49 7.777 7.563 7.449 1.00 0.00 C ATOM 678 OE1 GLU A 49 8.154 8.714 7.756 1.00 0.00 O ATOM 679 OE2 GLU A 49 8.137 6.537 8.064 1.00 0.00 O ATOM 0 H GLU A 49 4.586 8.661 5.804 1.00 0.00 H new ATOM 0 HA GLU A 49 6.713 10.145 6.600 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.586 8.168 4.289 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.062 8.686 5.078 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.806 7.402 6.633 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.009 6.439 5.798 1.00 0.00 H new ATOM 686 N SER A 50 6.158 10.704 3.380 1.00 0.00 N ATOM 687 CA SER A 50 6.395 11.655 2.300 1.00 0.00 C ATOM 688 C SER A 50 6.167 13.087 2.779 1.00 0.00 C ATOM 689 O SER A 50 5.566 13.314 3.828 1.00 0.00 O ATOM 690 CB SER A 50 5.481 11.351 1.113 1.00 0.00 C ATOM 691 OG SER A 50 6.031 10.332 0.295 1.00 0.00 O ATOM 0 H SER A 50 5.597 9.895 3.114 1.00 0.00 H new ATOM 0 HA SER A 50 7.433 11.556 1.983 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.500 11.042 1.475 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.333 12.255 0.523 1.00 0.00 H new ATOM 0 HG SER A 50 5.316 9.906 -0.223 1.00 0.00 H new ATOM 697 N ASP A 51 6.651 14.047 2.000 1.00 0.00 N ATOM 698 CA ASP A 51 6.499 15.458 2.341 1.00 0.00 C ATOM 699 C ASP A 51 5.039 15.887 2.243 1.00 0.00 C ATOM 700 O ASP A 51 4.459 16.370 3.214 1.00 0.00 O ATOM 701 CB ASP A 51 7.362 16.323 1.420 1.00 0.00 C ATOM 702 CG ASP A 51 8.829 15.946 1.478 1.00 0.00 C ATOM 703 OD1 ASP A 51 9.553 16.510 2.324 1.00 0.00 O ATOM 704 OD2 ASP A 51 9.254 15.087 0.677 1.00 0.00 O ATOM 0 H ASP A 51 7.152 13.875 1.128 1.00 0.00 H new ATOM 0 HA ASP A 51 6.830 15.595 3.370 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.005 16.225 0.395 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.248 17.371 1.698 1.00 0.00 H new ATOM 709 N GLU A 52 4.453 15.707 1.063 1.00 0.00 N ATOM 710 CA GLU A 52 3.060 16.076 0.839 1.00 0.00 C ATOM 711 C GLU A 52 2.312 14.964 0.113 1.00 0.00 C ATOM 712 O GLU A 52 2.065 15.048 -1.090 1.00 0.00 O ATOM 713 CB GLU A 52 2.979 17.373 0.029 1.00 0.00 C ATOM 714 CG GLU A 52 3.834 17.361 -1.226 1.00 0.00 C ATOM 715 CD GLU A 52 5.233 17.894 -0.984 1.00 0.00 C ATOM 716 OE1 GLU A 52 5.379 18.828 -0.168 1.00 0.00 O ATOM 717 OE2 GLU A 52 6.181 17.378 -1.612 1.00 0.00 O ATOM 0 H GLU A 52 4.921 15.309 0.249 1.00 0.00 H new ATOM 0 HA GLU A 52 2.591 16.231 1.810 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.941 17.553 -0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.288 18.206 0.661 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.898 16.342 -1.607 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.349 17.960 -1.997 1.00 0.00 H new ATOM 724 N HIS A 53 1.951 13.920 0.854 1.00 0.00 N ATOM 725 CA HIS A 53 1.230 12.788 0.281 1.00 0.00 C ATOM 726 C HIS A 53 1.841 12.374 -1.055 1.00 0.00 C ATOM 727 O HIS A 53 1.124 12.075 -2.011 1.00 0.00 O ATOM 728 CB HIS A 53 -0.246 13.140 0.094 1.00 0.00 C ATOM 729 CG HIS A 53 -1.093 12.828 1.289 1.00 0.00 C ATOM 730 ND1 HIS A 53 -2.415 12.449 1.196 1.00 0.00 N ATOM 731 CD2 HIS A 53 -0.798 12.838 2.610 1.00 0.00 C ATOM 732 CE1 HIS A 53 -2.897 12.242 2.409 1.00 0.00 C ATOM 733 NE2 HIS A 53 -1.936 12.471 3.284 1.00 0.00 N ATOM 0 H HIS A 53 2.146 13.835 1.852 1.00 0.00 H new ATOM 0 HA HIS A 53 1.311 11.949 0.972 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.331 14.202 -0.134 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.634 12.597 -0.768 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.155 13.088 3.052 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -3.906 11.937 2.644 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -2.025 12.389 4.297 1.00 0.00 H new ATOM 741 N THR A 54 3.168 12.360 -1.114 1.00 0.00 N ATOM 742 CA THR A 54 3.875 11.985 -2.332 1.00 0.00 C ATOM 743 C THR A 54 3.919 10.471 -2.498 1.00 0.00 C ATOM 744 O THR A 54 4.584 9.770 -1.733 1.00 0.00 O ATOM 745 CB THR A 54 5.315 12.533 -2.337 1.00 0.00 C ATOM 746 OG1 THR A 54 5.309 13.930 -2.023 1.00 0.00 O ATOM 747 CG2 THR A 54 5.971 12.316 -3.692 1.00 0.00 C ATOM 0 H THR A 54 3.776 12.604 -0.332 1.00 0.00 H new ATOM 0 HA THR A 54 3.325 12.423 -3.165 1.00 0.00 H new ATOM 0 HB THR A 54 5.888 11.994 -1.582 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.228 14.270 -2.027 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.987 12.711 -3.672 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.000 11.250 -3.915 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.396 12.832 -4.461 1.00 0.00 H new ATOM 755 N CYS A 55 3.209 9.968 -3.502 1.00 0.00 N ATOM 756 CA CYS A 55 3.166 8.536 -3.770 1.00 0.00 C ATOM 757 C CYS A 55 4.574 7.975 -3.954 1.00 0.00 C ATOM 758 O CYS A 55 5.380 8.494 -4.727 1.00 0.00 O ATOM 759 CB CYS A 55 2.325 8.253 -5.016 1.00 0.00 C ATOM 760 SG CYS A 55 2.197 6.486 -5.440 1.00 0.00 S ATOM 0 H CYS A 55 2.654 10.533 -4.145 1.00 0.00 H new ATOM 0 HA CYS A 55 2.707 8.045 -2.912 1.00 0.00 H new ATOM 0 HB2 CYS A 55 1.322 8.653 -4.863 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.756 8.788 -5.862 1.00 0.00 H new ATOM 0 HG CYS A 55 1.465 5.879 -4.554 1.00 0.00 H new ATOM 765 N PRO A 56 4.878 6.890 -3.226 1.00 0.00 N ATOM 766 CA PRO A 56 6.187 6.235 -3.293 1.00 0.00 C ATOM 767 C PRO A 56 6.415 5.527 -4.625 1.00 0.00 C ATOM 768 O PRO A 56 7.429 4.855 -4.818 1.00 0.00 O ATOM 769 CB PRO A 56 6.133 5.218 -2.150 1.00 0.00 C ATOM 770 CG PRO A 56 4.682 4.936 -1.961 1.00 0.00 C ATOM 771 CD PRO A 56 3.967 6.218 -2.285 1.00 0.00 C ATOM 0 HA PRO A 56 7.005 6.950 -3.208 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.683 4.311 -2.401 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.580 5.620 -1.241 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.353 4.129 -2.615 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.475 4.621 -0.938 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.992 6.031 -2.734 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.797 6.820 -1.392 1.00 0.00 H new ATOM 779 N THR A 57 5.466 5.683 -5.542 1.00 0.00 N ATOM 780 CA THR A 57 5.562 5.059 -6.856 1.00 0.00 C ATOM 781 C THR A 57 5.583 6.107 -7.963 1.00 0.00 C ATOM 782 O THR A 57 6.467 6.102 -8.820 1.00 0.00 O ATOM 783 CB THR A 57 4.392 4.089 -7.104 1.00 0.00 C ATOM 784 OG1 THR A 57 4.209 3.240 -5.966 1.00 0.00 O ATOM 785 CG2 THR A 57 4.645 3.241 -8.341 1.00 0.00 C ATOM 0 H THR A 57 4.621 6.237 -5.399 1.00 0.00 H new ATOM 0 HA THR A 57 6.497 4.500 -6.872 1.00 0.00 H new ATOM 0 HB THR A 57 3.489 4.678 -7.265 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.125 2.310 -6.262 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.805 2.564 -8.496 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.753 3.889 -9.211 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.558 2.661 -8.204 1.00 0.00 H new ATOM 793 N CYS A 58 4.604 7.005 -7.938 1.00 0.00 N ATOM 794 CA CYS A 58 4.510 8.061 -8.940 1.00 0.00 C ATOM 795 C CYS A 58 4.626 9.438 -8.292 1.00 0.00 C ATOM 796 O CYS A 58 4.564 9.567 -7.069 1.00 0.00 O ATOM 797 CB CYS A 58 3.187 7.953 -9.702 1.00 0.00 C ATOM 798 SG CYS A 58 1.725 8.429 -8.723 1.00 0.00 S ATOM 0 H CYS A 58 3.865 7.023 -7.235 1.00 0.00 H new ATOM 0 HA CYS A 58 5.336 7.938 -9.640 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.238 8.584 -10.589 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.062 6.927 -10.048 1.00 0.00 H new ATOM 0 HG CYS A 58 1.739 7.797 -7.587 1.00 0.00 H new ATOM 803 N HIS A 59 4.794 10.464 -9.120 1.00 0.00 N ATOM 804 CA HIS A 59 4.916 11.831 -8.628 1.00 0.00 C ATOM 805 C HIS A 59 3.545 12.425 -8.325 1.00 0.00 C ATOM 806 O HIS A 59 2.936 13.072 -9.177 1.00 0.00 O ATOM 807 CB HIS A 59 5.647 12.700 -9.653 1.00 0.00 C ATOM 808 CG HIS A 59 7.043 12.243 -9.940 1.00 0.00 C ATOM 809 ND1 HIS A 59 7.425 11.699 -11.148 1.00 0.00 N ATOM 810 CD2 HIS A 59 8.155 12.254 -9.166 1.00 0.00 C ATOM 811 CE1 HIS A 59 8.709 11.393 -11.105 1.00 0.00 C ATOM 812 NE2 HIS A 59 9.175 11.720 -9.913 1.00 0.00 N ATOM 0 H HIS A 59 4.849 10.374 -10.135 1.00 0.00 H new ATOM 0 HA HIS A 59 5.493 11.808 -7.704 1.00 0.00 H new ATOM 0 HB2 HIS A 59 5.078 12.707 -10.583 1.00 0.00 H new ATOM 0 HB3 HIS A 59 5.677 13.727 -9.290 1.00 0.00 H new ATOM 0 HD2 HIS A 59 8.226 12.615 -8.151 1.00 0.00 H new ATOM 0 HE1 HIS A 59 9.281 10.951 -11.908 1.00 0.00 H new ATOM 0 HE2 HIS A 59 10.137 11.596 -9.599 1.00 0.00 H new ATOM 820 N GLN A 60 3.064 12.199 -7.105 1.00 0.00 N ATOM 821 CA GLN A 60 1.764 12.712 -6.691 1.00 0.00 C ATOM 822 C GLN A 60 1.911 13.714 -5.551 1.00 0.00 C ATOM 823 O GLN A 60 2.927 13.736 -4.859 1.00 0.00 O ATOM 824 CB GLN A 60 0.852 11.561 -6.260 1.00 0.00 C ATOM 825 CG GLN A 60 -0.625 11.921 -6.262 1.00 0.00 C ATOM 826 CD GLN A 60 -1.161 12.175 -7.657 1.00 0.00 C ATOM 827 OE1 GLN A 60 -1.782 11.302 -8.264 1.00 0.00 O ATOM 828 NE2 GLN A 60 -0.923 13.375 -8.174 1.00 0.00 N ATOM 0 H GLN A 60 3.555 11.665 -6.388 1.00 0.00 H new ATOM 0 HA GLN A 60 1.315 13.223 -7.543 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.012 10.713 -6.926 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.137 11.238 -5.259 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.193 11.113 -5.800 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.779 12.810 -5.650 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.404 14.069 -7.635 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.259 13.603 -9.110 1.00 0.00 H new ATOM 837 N ASN A 61 0.890 14.543 -5.363 1.00 0.00 N ATOM 838 CA ASN A 61 0.905 15.549 -4.307 1.00 0.00 C ATOM 839 C ASN A 61 -0.256 15.341 -3.340 1.00 0.00 C ATOM 840 O ASN A 61 -0.104 15.501 -2.128 1.00 0.00 O ATOM 841 CB ASN A 61 0.836 16.954 -4.910 1.00 0.00 C ATOM 842 CG ASN A 61 2.165 17.399 -5.491 1.00 0.00 C ATOM 843 OD1 ASN A 61 2.777 18.352 -5.008 1.00 0.00 O ATOM 844 ND2 ASN A 61 2.617 16.710 -6.532 1.00 0.00 N ATOM 0 H ASN A 61 0.041 14.538 -5.928 1.00 0.00 H new ATOM 0 HA ASN A 61 1.838 15.444 -3.754 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.076 16.974 -5.691 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.523 17.661 -4.142 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.505 16.964 -6.965 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.076 15.927 -6.899 1.00 0.00 H new ATOM 851 N ASP A 62 -1.414 14.984 -3.882 1.00 0.00 N ATOM 852 CA ASP A 62 -2.601 14.752 -3.068 1.00 0.00 C ATOM 853 C ASP A 62 -3.176 13.363 -3.327 1.00 0.00 C ATOM 854 O ASP A 62 -3.483 13.009 -4.465 1.00 0.00 O ATOM 855 CB ASP A 62 -3.660 15.818 -3.357 1.00 0.00 C ATOM 856 CG ASP A 62 -4.974 15.533 -2.656 1.00 0.00 C ATOM 857 OD1 ASP A 62 -4.962 15.371 -1.418 1.00 0.00 O ATOM 858 OD2 ASP A 62 -6.013 15.476 -3.345 1.00 0.00 O ATOM 0 H ASP A 62 -1.557 14.849 -4.883 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.310 14.815 -2.020 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.287 16.792 -3.041 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.830 15.875 -4.432 1.00 0.00 H new ATOM 863 N VAL A 63 -3.316 12.578 -2.263 1.00 0.00 N ATOM 864 CA VAL A 63 -3.853 11.227 -2.375 1.00 0.00 C ATOM 865 C VAL A 63 -5.050 11.034 -1.451 1.00 0.00 C ATOM 866 O VAL A 63 -5.030 11.460 -0.296 1.00 0.00 O ATOM 867 CB VAL A 63 -2.784 10.170 -2.043 1.00 0.00 C ATOM 868 CG1 VAL A 63 -3.385 8.773 -2.085 1.00 0.00 C ATOM 869 CG2 VAL A 63 -1.607 10.283 -2.999 1.00 0.00 C ATOM 0 H VAL A 63 -3.065 12.855 -1.314 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.172 11.097 -3.409 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.419 10.352 -1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.615 8.039 -1.848 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.192 8.702 -1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.779 8.576 -3.082 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.861 9.528 -2.749 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.952 10.128 -4.021 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.162 11.274 -2.913 1.00 0.00 H new ATOM 879 N SER A 64 -6.090 10.387 -1.965 1.00 0.00 N ATOM 880 CA SER A 64 -7.297 10.139 -1.187 1.00 0.00 C ATOM 881 C SER A 64 -7.237 8.773 -0.511 1.00 0.00 C ATOM 882 O SER A 64 -7.319 7.728 -1.157 1.00 0.00 O ATOM 883 CB SER A 64 -8.534 10.222 -2.084 1.00 0.00 C ATOM 884 OG SER A 64 -8.544 9.173 -3.037 1.00 0.00 O ATOM 0 H SER A 64 -6.121 10.025 -2.918 1.00 0.00 H new ATOM 0 HA SER A 64 -7.365 10.905 -0.414 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.435 10.171 -1.472 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.551 11.184 -2.597 1.00 0.00 H new ATOM 0 HG SER A 64 -7.959 8.448 -2.732 1.00 0.00 H new ATOM 890 N PRO A 65 -7.090 8.779 0.822 1.00 0.00 N ATOM 891 CA PRO A 65 -7.014 7.549 1.616 1.00 0.00 C ATOM 892 C PRO A 65 -8.349 6.812 1.669 1.00 0.00 C ATOM 893 O PRO A 65 -8.475 5.786 2.339 1.00 0.00 O ATOM 894 CB PRO A 65 -6.624 8.050 3.009 1.00 0.00 C ATOM 895 CG PRO A 65 -7.114 9.456 3.058 1.00 0.00 C ATOM 896 CD PRO A 65 -6.985 9.987 1.656 1.00 0.00 C ATOM 0 HA PRO A 65 -6.309 6.833 1.193 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -7.082 7.444 3.790 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -5.546 8.001 3.159 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.149 9.497 3.398 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -6.525 10.051 3.757 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.772 10.705 1.424 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -6.034 10.497 1.506 1.00 0.00 H new ATOM 904 N ASP A 66 -9.339 7.340 0.960 1.00 0.00 N ATOM 905 CA ASP A 66 -10.664 6.730 0.925 1.00 0.00 C ATOM 906 C ASP A 66 -10.832 5.866 -0.321 1.00 0.00 C ATOM 907 O ASP A 66 -11.329 4.743 -0.247 1.00 0.00 O ATOM 908 CB ASP A 66 -11.747 7.810 0.963 1.00 0.00 C ATOM 909 CG ASP A 66 -11.404 8.940 1.913 1.00 0.00 C ATOM 910 OD1 ASP A 66 -11.496 8.731 3.140 1.00 0.00 O ATOM 911 OD2 ASP A 66 -11.046 10.034 1.429 1.00 0.00 O ATOM 0 H ASP A 66 -9.250 8.189 0.401 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.767 6.092 1.803 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.890 8.213 -0.040 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -12.694 7.361 1.264 1.00 0.00 H new ATOM 916 N ALA A 67 -10.415 6.399 -1.465 1.00 0.00 N ATOM 917 CA ALA A 67 -10.519 5.677 -2.726 1.00 0.00 C ATOM 918 C ALA A 67 -9.925 4.277 -2.609 1.00 0.00 C ATOM 919 O ALA A 67 -10.488 3.308 -3.119 1.00 0.00 O ATOM 920 CB ALA A 67 -9.826 6.453 -3.838 1.00 0.00 C ATOM 0 H ALA A 67 -10.002 7.328 -1.544 1.00 0.00 H new ATOM 0 HA ALA A 67 -11.576 5.576 -2.971 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.912 5.902 -4.774 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -10.297 7.430 -3.948 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.773 6.584 -3.589 1.00 0.00 H new ATOM 926 N LEU A 68 -8.786 4.178 -1.933 1.00 0.00 N ATOM 927 CA LEU A 68 -8.115 2.896 -1.748 1.00 0.00 C ATOM 928 C LEU A 68 -9.130 1.765 -1.612 1.00 0.00 C ATOM 929 O LEU A 68 -10.211 1.951 -1.054 1.00 0.00 O ATOM 930 CB LEU A 68 -7.218 2.941 -0.510 1.00 0.00 C ATOM 931 CG LEU A 68 -6.148 4.034 -0.497 1.00 0.00 C ATOM 932 CD1 LEU A 68 -5.394 4.026 0.824 1.00 0.00 C ATOM 933 CD2 LEU A 68 -5.187 3.854 -1.663 1.00 0.00 C ATOM 0 H LEU A 68 -8.308 4.970 -1.504 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.501 2.706 -2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.851 3.069 0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.724 1.975 -0.409 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.641 5.000 -0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.637 4.810 0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.092 4.204 1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.912 3.058 0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.433 4.640 -1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.700 2.882 -1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.739 3.911 -2.601 1.00 0.00 H new ATOM 945 N SER A 69 -8.774 0.592 -2.126 1.00 0.00 N ATOM 946 CA SER A 69 -9.654 -0.569 -2.064 1.00 0.00 C ATOM 947 C SER A 69 -10.423 -0.598 -0.746 1.00 0.00 C ATOM 948 O SER A 69 -11.634 -0.813 -0.727 1.00 0.00 O ATOM 949 CB SER A 69 -8.845 -1.858 -2.223 1.00 0.00 C ATOM 950 OG SER A 69 -9.652 -2.907 -2.731 1.00 0.00 O ATOM 0 H SER A 69 -7.882 0.421 -2.590 1.00 0.00 H new ATOM 0 HA SER A 69 -10.371 -0.495 -2.882 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.005 -1.683 -2.895 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.427 -2.150 -1.260 1.00 0.00 H new ATOM 0 HG SER A 69 -9.112 -3.719 -2.825 1.00 0.00 H new