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 38 TYR OH : rot -135:sc= 0.497 USER MOD Set 1.2: A 57 THR OG1 : rot 171:sc= 0.511 USER MOD Set 2.1: A 50 SER OG : rot -100:sc= -0.0378 USER MOD Set 2.2: A 54 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 18 CYS SG : rot 165:sc= 2.45 USER MOD Set 3.2: A 21 CYS SG : rot -23:sc= -0.574! USER MOD Set 3.3: A 39 CYS SG : rot 62:sc= 1.12 USER MOD Set 3.4: A 42 CYS SG : rot 123:sc= 0.549 USER MOD Set 4.1: A 33 CYS SG : rot 149:sc= -9.63! USER MOD Set 4.2: A 34 CYS SG : rot -43:sc= 1.69 USER MOD Set 4.3: A 36 ASN : amide:sc= -2.63 K(o=-11,f=-9.6) USER MOD Set 4.4: A 55 CYS SG : rot -153:sc= 0.1 USER MOD Set 4.5: A 58 CYS SG : rot -101:sc= -0.463 USER MOD Single : A 22 LYS NZ :NH3+ -155:sc=7.44e-05 (180deg=0) USER MOD Single : A 25 MET CE :methyl -139:sc= -0.833 (180deg=-3.75!) 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 53 HIS : no HD1:sc= -0.0692 X(o=-0.069,f=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.9 K(o=-0.9,f=-2.9!) 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 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 179 N LEU A 16 0.737 -12.044 -4.375 1.00 0.00 N ATOM 180 CA LEU A 16 0.054 -11.926 -3.092 1.00 0.00 C ATOM 181 C LEU A 16 0.934 -11.211 -2.071 1.00 0.00 C ATOM 182 O LEU A 16 0.848 -11.472 -0.870 1.00 0.00 O ATOM 183 CB LEU A 16 -0.331 -13.310 -2.567 1.00 0.00 C ATOM 184 CG LEU A 16 -1.683 -13.852 -3.033 1.00 0.00 C ATOM 185 CD1 LEU A 16 -2.819 -13.014 -2.466 1.00 0.00 C ATOM 186 CD2 LEU A 16 -1.750 -13.884 -4.554 1.00 0.00 C ATOM 0 HA LEU A 16 -0.850 -11.337 -3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.443 -14.017 -2.864 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.332 -13.276 -1.478 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.791 -14.871 -2.662 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.773 -13.415 -2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.784 -13.042 -1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.716 -11.983 -2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.719 -14.272 -4.867 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.620 -12.875 -4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.959 -14.528 -4.940 1.00 0.00 H new ATOM 198 N LEU A 17 1.777 -10.306 -2.555 1.00 0.00 N ATOM 199 CA LEU A 17 2.671 -9.550 -1.684 1.00 0.00 C ATOM 200 C LEU A 17 2.845 -8.122 -2.191 1.00 0.00 C ATOM 201 O LEU A 17 2.780 -7.866 -3.395 1.00 0.00 O ATOM 202 CB LEU A 17 4.033 -10.241 -1.596 1.00 0.00 C ATOM 203 CG LEU A 17 4.008 -11.733 -1.263 1.00 0.00 C ATOM 204 CD1 LEU A 17 5.352 -12.372 -1.575 1.00 0.00 C ATOM 205 CD2 LEU A 17 3.639 -11.948 0.197 1.00 0.00 C ATOM 0 H LEU A 17 1.861 -10.078 -3.546 1.00 0.00 H new ATOM 0 HA LEU A 17 2.224 -9.512 -0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.547 -10.110 -2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.629 -9.730 -0.840 1.00 0.00 H new ATOM 0 HG LEU A 17 3.249 -12.211 -1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.315 -13.434 -1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.576 -12.250 -2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.130 -11.891 -0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.626 -13.016 0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.374 -11.456 0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.652 -11.527 0.389 1.00 0.00 H new ATOM 217 N CYS A 18 3.068 -7.195 -1.266 1.00 0.00 N ATOM 218 CA CYS A 18 3.253 -5.791 -1.617 1.00 0.00 C ATOM 219 C CYS A 18 4.649 -5.553 -2.185 1.00 0.00 C ATOM 220 O CYS A 18 5.519 -6.423 -2.111 1.00 0.00 O ATOM 221 CB CYS A 18 3.029 -4.903 -0.392 1.00 0.00 C ATOM 222 SG CYS A 18 4.402 -4.929 0.805 1.00 0.00 S ATOM 0 H CYS A 18 3.125 -7.390 -0.267 1.00 0.00 H new ATOM 0 HA CYS A 18 2.520 -5.533 -2.381 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.870 -3.877 -0.724 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.116 -5.220 0.112 1.00 0.00 H new ATOM 0 HG CYS A 18 4.283 -3.926 1.624 1.00 0.00 H new ATOM 227 N LEU A 19 4.858 -4.368 -2.749 1.00 0.00 N ATOM 228 CA LEU A 19 6.148 -4.013 -3.329 1.00 0.00 C ATOM 229 C LEU A 19 6.942 -3.118 -2.383 1.00 0.00 C ATOM 230 O LEU A 19 7.729 -2.279 -2.823 1.00 0.00 O ATOM 231 CB LEU A 19 5.950 -3.309 -4.672 1.00 0.00 C ATOM 232 CG LEU A 19 4.949 -3.957 -5.629 1.00 0.00 C ATOM 233 CD1 LEU A 19 4.587 -2.999 -6.753 1.00 0.00 C ATOM 234 CD2 LEU A 19 5.512 -5.255 -6.192 1.00 0.00 C ATOM 0 H LEU A 19 4.150 -3.637 -2.817 1.00 0.00 H new ATOM 0 HA LEU A 19 6.712 -4.932 -3.489 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.627 -2.286 -4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.916 -3.249 -5.174 1.00 0.00 H new ATOM 0 HG LEU A 19 4.042 -4.189 -5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.874 -3.478 -7.424 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.141 -2.097 -6.333 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.486 -2.734 -7.309 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.786 -5.702 -6.871 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.435 -5.047 -6.733 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.719 -5.946 -5.375 1.00 0.00 H new ATOM 246 N ILE A 20 6.731 -3.302 -1.085 1.00 0.00 N ATOM 247 CA ILE A 20 7.429 -2.513 -0.078 1.00 0.00 C ATOM 248 C ILE A 20 8.169 -3.410 0.908 1.00 0.00 C ATOM 249 O ILE A 20 9.393 -3.531 0.857 1.00 0.00 O ATOM 250 CB ILE A 20 6.457 -1.605 0.699 1.00 0.00 C ATOM 251 CG1 ILE A 20 5.916 -0.502 -0.212 1.00 0.00 C ATOM 252 CG2 ILE A 20 7.150 -1.005 1.914 1.00 0.00 C ATOM 253 CD1 ILE A 20 4.697 0.199 0.346 1.00 0.00 C ATOM 0 H ILE A 20 6.082 -3.991 -0.705 1.00 0.00 H new ATOM 0 HA ILE A 20 8.149 -1.890 -0.609 1.00 0.00 H new ATOM 0 HB ILE A 20 5.617 -2.208 1.045 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.701 0.234 -0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.665 -0.933 -1.181 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.451 -0.366 2.453 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.490 -1.805 2.571 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.006 -0.413 1.589 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.368 0.968 -0.353 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.896 -0.525 0.492 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.948 0.660 1.302 1.00 0.00 H new ATOM 265 N CYS A 21 7.417 -4.040 1.805 1.00 0.00 N ATOM 266 CA CYS A 21 7.999 -4.928 2.804 1.00 0.00 C ATOM 267 C CYS A 21 7.891 -6.385 2.365 1.00 0.00 C ATOM 268 O CYS A 21 8.413 -7.285 3.024 1.00 0.00 O ATOM 269 CB CYS A 21 7.305 -4.737 4.154 1.00 0.00 C ATOM 270 SG CYS A 21 5.541 -5.195 4.154 1.00 0.00 S ATOM 0 H CYS A 21 6.402 -3.952 1.860 1.00 0.00 H new ATOM 0 HA CYS A 21 9.054 -4.675 2.908 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.824 -5.333 4.905 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.399 -3.693 4.454 1.00 0.00 H new ATOM 0 HG CYS A 21 5.077 -5.133 2.941 1.00 0.00 H new ATOM 275 N LYS A 22 7.211 -6.611 1.246 1.00 0.00 N ATOM 276 CA LYS A 22 7.034 -7.958 0.716 1.00 0.00 C ATOM 277 C LYS A 22 6.327 -8.852 1.729 1.00 0.00 C ATOM 278 O LYS A 22 6.829 -9.918 2.088 1.00 0.00 O ATOM 279 CB LYS A 22 8.390 -8.563 0.344 1.00 0.00 C ATOM 280 CG LYS A 22 8.958 -8.028 -0.959 1.00 0.00 C ATOM 281 CD LYS A 22 9.419 -6.588 -0.817 1.00 0.00 C ATOM 282 CE LYS A 22 9.912 -6.028 -2.142 1.00 0.00 C ATOM 283 NZ LYS A 22 10.799 -4.846 -1.949 1.00 0.00 N ATOM 0 H LYS A 22 6.773 -5.878 0.688 1.00 0.00 H new ATOM 0 HA LYS A 22 6.414 -7.892 -0.178 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.099 -8.366 1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.287 -9.645 0.268 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.796 -8.650 -1.274 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.201 -8.093 -1.741 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.597 -5.976 -0.446 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.218 -6.532 -0.077 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.453 -6.803 -2.685 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.058 -5.745 -2.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.774 -4.250 -2.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.469 -4.294 -1.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.774 -5.167 -1.780 1.00 0.00 H new ATOM 297 N ASP A 23 5.158 -8.414 2.184 1.00 0.00 N ATOM 298 CA ASP A 23 4.381 -9.176 3.153 1.00 0.00 C ATOM 299 C ASP A 23 2.903 -9.189 2.775 1.00 0.00 C ATOM 300 O ASP A 23 2.381 -8.211 2.239 1.00 0.00 O ATOM 301 CB ASP A 23 4.556 -8.591 4.554 1.00 0.00 C ATOM 302 CG ASP A 23 5.859 -9.016 5.201 1.00 0.00 C ATOM 303 OD1 ASP A 23 6.092 -10.238 5.320 1.00 0.00 O ATOM 304 OD2 ASP A 23 6.648 -8.128 5.587 1.00 0.00 O ATOM 0 H ASP A 23 4.728 -7.535 1.897 1.00 0.00 H new ATOM 0 HA ASP A 23 4.748 -10.202 3.148 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.520 -7.503 4.497 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.723 -8.905 5.182 1.00 0.00 H new ATOM 309 N ILE A 24 2.235 -10.302 3.056 1.00 0.00 N ATOM 310 CA ILE A 24 0.817 -10.442 2.745 1.00 0.00 C ATOM 311 C ILE A 24 0.062 -9.149 3.034 1.00 0.00 C ATOM 312 O ILE A 24 0.213 -8.554 4.101 1.00 0.00 O ATOM 313 CB ILE A 24 0.174 -11.588 3.547 1.00 0.00 C ATOM 314 CG1 ILE A 24 0.888 -12.910 3.252 1.00 0.00 C ATOM 315 CG2 ILE A 24 -1.308 -11.696 3.223 1.00 0.00 C ATOM 316 CD1 ILE A 24 0.672 -13.409 1.839 1.00 0.00 C ATOM 0 H ILE A 24 2.652 -11.121 3.499 1.00 0.00 H new ATOM 0 HA ILE A 24 0.749 -10.672 1.682 1.00 0.00 H new ATOM 0 HB ILE A 24 0.278 -11.370 4.610 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.957 -12.783 3.425 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.539 -13.667 3.954 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.748 -12.511 3.798 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.806 -10.761 3.480 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.434 -11.894 2.159 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.206 -14.349 1.699 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.393 -13.568 1.668 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.047 -12.670 1.131 1.00 0.00 H new ATOM 328 N MET A 25 -0.753 -8.720 2.076 1.00 0.00 N ATOM 329 CA MET A 25 -1.535 -7.499 2.229 1.00 0.00 C ATOM 330 C MET A 25 -2.883 -7.794 2.879 1.00 0.00 C ATOM 331 O MET A 25 -3.902 -7.905 2.198 1.00 0.00 O ATOM 332 CB MET A 25 -1.748 -6.830 0.868 1.00 0.00 C ATOM 333 CG MET A 25 -0.457 -6.567 0.112 1.00 0.00 C ATOM 334 SD MET A 25 0.083 -7.988 -0.858 1.00 0.00 S ATOM 335 CE MET A 25 -0.812 -7.714 -2.385 1.00 0.00 C ATOM 0 H MET A 25 -0.889 -9.200 1.186 1.00 0.00 H new ATOM 0 HA MET A 25 -0.980 -6.821 2.877 1.00 0.00 H new ATOM 0 HB2 MET A 25 -2.394 -7.462 0.259 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.272 -5.886 1.015 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.596 -5.712 -0.550 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.326 -6.297 0.821 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.201 -8.663 -2.754 1.00 0.00 H new ATOM 0 HE2 MET A 25 -1.640 -7.029 -2.204 1.00 0.00 H new ATOM 0 HE3 MET A 25 -0.141 -7.283 -3.128 1.00 0.00 H new ATOM 345 N THR A 26 -2.881 -7.919 4.203 1.00 0.00 N ATOM 346 CA THR A 26 -4.102 -8.203 4.945 1.00 0.00 C ATOM 347 C THR A 26 -5.293 -7.462 4.349 1.00 0.00 C ATOM 348 O THR A 26 -6.385 -8.018 4.229 1.00 0.00 O ATOM 349 CB THR A 26 -3.961 -7.813 6.429 1.00 0.00 C ATOM 350 OG1 THR A 26 -5.168 -8.124 7.134 1.00 0.00 O ATOM 351 CG2 THR A 26 -3.652 -6.330 6.571 1.00 0.00 C ATOM 0 H THR A 26 -2.047 -7.828 4.783 1.00 0.00 H new ATOM 0 HA THR A 26 -4.272 -9.277 4.873 1.00 0.00 H new ATOM 0 HB THR A 26 -3.135 -8.383 6.855 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.070 -7.875 8.077 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.557 -6.078 7.627 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.718 -6.102 6.058 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.460 -5.746 6.130 1.00 0.00 H new ATOM 359 N ASP A 27 -5.076 -6.206 3.975 1.00 0.00 N ATOM 360 CA ASP A 27 -6.132 -5.390 3.387 1.00 0.00 C ATOM 361 C ASP A 27 -5.653 -4.724 2.101 1.00 0.00 C ATOM 362 O ASP A 27 -5.267 -3.556 2.101 1.00 0.00 O ATOM 363 CB ASP A 27 -6.598 -4.326 4.383 1.00 0.00 C ATOM 364 CG ASP A 27 -7.716 -4.822 5.279 1.00 0.00 C ATOM 365 OD1 ASP A 27 -8.869 -4.892 4.803 1.00 0.00 O ATOM 366 OD2 ASP A 27 -7.439 -5.139 6.454 1.00 0.00 O ATOM 0 H ASP A 27 -4.178 -5.731 4.069 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.970 -6.044 3.146 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.754 -4.014 4.999 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.937 -3.445 3.837 1.00 0.00 H new ATOM 371 N ALA A 28 -5.679 -5.477 1.005 1.00 0.00 N ATOM 372 CA ALA A 28 -5.248 -4.961 -0.287 1.00 0.00 C ATOM 373 C ALA A 28 -5.917 -3.626 -0.595 1.00 0.00 C ATOM 374 O ALA A 28 -7.115 -3.452 -0.365 1.00 0.00 O ATOM 375 CB ALA A 28 -5.549 -5.970 -1.385 1.00 0.00 C ATOM 0 H ALA A 28 -5.994 -6.447 0.988 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.171 -4.797 -0.245 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.222 -5.571 -2.345 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.020 -6.900 -1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.621 -6.162 -1.419 1.00 0.00 H new ATOM 381 N VAL A 29 -5.138 -2.684 -1.117 1.00 0.00 N ATOM 382 CA VAL A 29 -5.655 -1.365 -1.457 1.00 0.00 C ATOM 383 C VAL A 29 -5.049 -0.855 -2.760 1.00 0.00 C ATOM 384 O VAL A 29 -3.831 -0.713 -2.877 1.00 0.00 O ATOM 385 CB VAL A 29 -5.371 -0.345 -0.338 1.00 0.00 C ATOM 386 CG1 VAL A 29 -6.210 -0.655 0.892 1.00 0.00 C ATOM 387 CG2 VAL A 29 -3.890 -0.330 0.005 1.00 0.00 C ATOM 0 H VAL A 29 -4.145 -2.811 -1.314 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.733 -1.470 -1.578 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.647 0.647 -0.695 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.996 0.076 1.672 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.268 -0.609 0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.968 -1.654 1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.707 0.396 0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.585 -1.320 0.343 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.315 -0.055 -0.879 1.00 0.00 H new ATOM 397 N VAL A 30 -5.906 -0.580 -3.738 1.00 0.00 N ATOM 398 CA VAL A 30 -5.455 -0.085 -5.033 1.00 0.00 C ATOM 399 C VAL A 30 -5.423 1.439 -5.057 1.00 0.00 C ATOM 400 O VAL A 30 -6.463 2.094 -4.973 1.00 0.00 O ATOM 401 CB VAL A 30 -6.362 -0.586 -6.172 1.00 0.00 C ATOM 402 CG1 VAL A 30 -5.918 -0.002 -7.505 1.00 0.00 C ATOM 403 CG2 VAL A 30 -6.362 -2.107 -6.223 1.00 0.00 C ATOM 0 H VAL A 30 -6.917 -0.692 -3.658 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.447 -0.470 -5.186 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.380 -0.250 -5.976 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.571 -0.367 -8.298 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.973 1.086 -7.462 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.892 -0.305 -7.711 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.008 -2.444 -7.034 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.347 -2.465 -6.395 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.731 -2.503 -5.277 1.00 0.00 H new ATOM 413 N ILE A 31 -4.223 1.999 -5.174 1.00 0.00 N ATOM 414 CA ILE A 31 -4.056 3.446 -5.211 1.00 0.00 C ATOM 415 C ILE A 31 -4.544 4.022 -6.536 1.00 0.00 C ATOM 416 O ILE A 31 -4.273 3.486 -7.611 1.00 0.00 O ATOM 417 CB ILE A 31 -2.585 3.848 -5.000 1.00 0.00 C ATOM 418 CG1 ILE A 31 -2.499 5.215 -4.319 1.00 0.00 C ATOM 419 CG2 ILE A 31 -1.844 3.866 -6.329 1.00 0.00 C ATOM 420 CD1 ILE A 31 -1.101 5.587 -3.881 1.00 0.00 C ATOM 0 H ILE A 31 -3.353 1.472 -5.245 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.656 3.854 -4.397 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.112 3.110 -4.352 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.871 5.977 -5.004 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.156 5.220 -3.450 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.805 4.152 -6.163 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.880 2.874 -6.779 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.316 4.585 -6.999 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.117 6.568 -3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.733 4.847 -3.171 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.443 5.615 -4.749 1.00 0.00 H new ATOM 432 N PRO A 32 -5.280 5.140 -6.461 1.00 0.00 N ATOM 433 CA PRO A 32 -5.819 5.815 -7.645 1.00 0.00 C ATOM 434 C PRO A 32 -4.728 6.473 -8.484 1.00 0.00 C ATOM 435 O PRO A 32 -4.630 6.236 -9.689 1.00 0.00 O ATOM 436 CB PRO A 32 -6.752 6.875 -7.055 1.00 0.00 C ATOM 437 CG PRO A 32 -6.212 7.139 -5.692 1.00 0.00 C ATOM 438 CD PRO A 32 -5.642 5.833 -5.213 1.00 0.00 C ATOM 0 HA PRO A 32 -6.316 5.119 -8.320 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -6.756 7.781 -7.661 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -7.780 6.517 -7.011 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.445 7.913 -5.719 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.997 7.491 -5.023 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.774 5.985 -4.571 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.370 5.265 -4.635 1.00 0.00 H new ATOM 446 N CYS A 33 -3.910 7.298 -7.841 1.00 0.00 N ATOM 447 CA CYS A 33 -2.826 7.990 -8.526 1.00 0.00 C ATOM 448 C CYS A 33 -2.325 7.174 -9.714 1.00 0.00 C ATOM 449 O CYS A 33 -2.258 7.670 -10.839 1.00 0.00 O ATOM 450 CB CYS A 33 -1.672 8.263 -7.559 1.00 0.00 C ATOM 451 SG CYS A 33 -1.130 6.800 -6.618 1.00 0.00 S ATOM 0 H CYS A 33 -3.977 7.504 -6.844 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.213 8.940 -8.896 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.825 8.654 -8.122 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.975 9.041 -6.858 1.00 0.00 H new ATOM 0 HG CYS A 33 0.141 6.894 -6.364 1.00 0.00 H new ATOM 456 N CYS A 34 -1.975 5.918 -9.457 1.00 0.00 N ATOM 457 CA CYS A 34 -1.481 5.031 -10.503 1.00 0.00 C ATOM 458 C CYS A 34 -2.138 3.657 -10.407 1.00 0.00 C ATOM 459 O CYS A 34 -2.787 3.201 -11.348 1.00 0.00 O ATOM 460 CB CYS A 34 0.040 4.890 -10.404 1.00 0.00 C ATOM 461 SG CYS A 34 0.650 4.596 -8.713 1.00 0.00 S ATOM 0 H CYS A 34 -2.025 5.491 -8.532 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.737 5.469 -11.468 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.360 4.067 -11.043 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.504 5.796 -10.794 1.00 0.00 H new ATOM 0 HG CYS A 34 0.031 5.384 -7.885 1.00 0.00 H new ATOM 466 N GLY A 35 -1.965 3.002 -9.263 1.00 0.00 N ATOM 467 CA GLY A 35 -2.547 1.688 -9.066 1.00 0.00 C ATOM 468 C GLY A 35 -1.512 0.648 -8.683 1.00 0.00 C ATOM 469 O GLY A 35 -0.706 0.231 -9.513 1.00 0.00 O ATOM 0 H GLY A 35 -1.432 3.358 -8.469 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.307 1.744 -8.287 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.050 1.376 -9.981 1.00 0.00 H new ATOM 473 N ASN A 36 -1.536 0.229 -7.421 1.00 0.00 N ATOM 474 CA ASN A 36 -0.590 -0.768 -6.931 1.00 0.00 C ATOM 475 C ASN A 36 -1.098 -1.409 -5.643 1.00 0.00 C ATOM 476 O ASN A 36 -1.983 -0.874 -4.977 1.00 0.00 O ATOM 477 CB ASN A 36 0.779 -0.128 -6.690 1.00 0.00 C ATOM 478 CG ASN A 36 1.610 -0.049 -7.956 1.00 0.00 C ATOM 479 OD1 ASN A 36 2.244 -1.026 -8.357 1.00 0.00 O ATOM 480 ND2 ASN A 36 1.611 1.117 -8.591 1.00 0.00 N ATOM 0 H ASN A 36 -2.198 0.563 -6.721 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.491 -1.544 -7.690 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.642 0.875 -6.285 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.319 -0.704 -5.939 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.152 1.230 -9.448 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.071 1.899 -8.222 1.00 0.00 H new ATOM 487 N SER A 37 -0.528 -2.560 -5.297 1.00 0.00 N ATOM 488 CA SER A 37 -0.925 -3.277 -4.091 1.00 0.00 C ATOM 489 C SER A 37 0.045 -2.993 -2.947 1.00 0.00 C ATOM 490 O SER A 37 1.252 -3.198 -3.076 1.00 0.00 O ATOM 491 CB SER A 37 -0.984 -4.781 -4.362 1.00 0.00 C ATOM 492 OG SER A 37 -2.140 -5.119 -5.110 1.00 0.00 O ATOM 0 H SER A 37 0.210 -3.015 -5.835 1.00 0.00 H new ATOM 0 HA SER A 37 -1.916 -2.928 -3.800 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.092 -5.091 -4.906 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.987 -5.324 -3.417 1.00 0.00 H new ATOM 0 HG SER A 37 -2.154 -6.085 -5.272 1.00 0.00 H new ATOM 498 N TYR A 38 -0.493 -2.520 -1.829 1.00 0.00 N ATOM 499 CA TYR A 38 0.324 -2.204 -0.662 1.00 0.00 C ATOM 500 C TYR A 38 -0.434 -2.500 0.628 1.00 0.00 C ATOM 501 O TYR A 38 -1.656 -2.361 0.691 1.00 0.00 O ATOM 502 CB TYR A 38 0.748 -0.735 -0.693 1.00 0.00 C ATOM 503 CG TYR A 38 1.597 -0.375 -1.891 1.00 0.00 C ATOM 504 CD1 TYR A 38 2.858 -0.933 -2.067 1.00 0.00 C ATOM 505 CD2 TYR A 38 1.138 0.522 -2.848 1.00 0.00 C ATOM 506 CE1 TYR A 38 3.637 -0.606 -3.159 1.00 0.00 C ATOM 507 CE2 TYR A 38 1.910 0.853 -3.945 1.00 0.00 C ATOM 508 CZ TYR A 38 3.160 0.287 -4.095 1.00 0.00 C ATOM 509 OH TYR A 38 3.932 0.614 -5.186 1.00 0.00 O ATOM 0 H TYR A 38 -1.491 -2.347 -1.705 1.00 0.00 H new ATOM 0 HA TYR A 38 1.214 -2.832 -0.691 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.144 -0.108 -0.689 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.303 -0.506 0.217 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.235 -1.634 -1.337 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.161 0.968 -2.732 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.615 -1.048 -3.279 1.00 0.00 H new ATOM 0 HE2 TYR A 38 1.538 1.550 -4.681 1.00 0.00 H new ATOM 0 HH TYR A 38 3.904 1.583 -5.328 1.00 0.00 H new ATOM 519 N CYS A 39 0.301 -2.906 1.658 1.00 0.00 N ATOM 520 CA CYS A 39 -0.299 -3.221 2.949 1.00 0.00 C ATOM 521 C CYS A 39 -1.078 -2.027 3.493 1.00 0.00 C ATOM 522 O CYS A 39 -0.600 -0.893 3.461 1.00 0.00 O ATOM 523 CB CYS A 39 0.782 -3.637 3.950 1.00 0.00 C ATOM 524 SG CYS A 39 1.901 -4.937 3.337 1.00 0.00 S ATOM 0 H CYS A 39 1.313 -3.025 1.624 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.992 -4.050 2.806 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.372 -2.760 4.217 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.301 -3.987 4.863 1.00 0.00 H new ATOM 0 HG CYS A 39 2.541 -4.502 2.293 1.00 0.00 H new ATOM 529 N ASP A 40 -2.282 -2.290 3.992 1.00 0.00 N ATOM 530 CA ASP A 40 -3.128 -1.239 4.544 1.00 0.00 C ATOM 531 C ASP A 40 -2.285 -0.162 5.220 1.00 0.00 C ATOM 532 O ASP A 40 -2.636 1.016 5.202 1.00 0.00 O ATOM 533 CB ASP A 40 -4.123 -1.828 5.545 1.00 0.00 C ATOM 534 CG ASP A 40 -4.484 -0.851 6.646 1.00 0.00 C ATOM 535 OD1 ASP A 40 -5.339 0.026 6.405 1.00 0.00 O ATOM 536 OD2 ASP A 40 -3.910 -0.963 7.749 1.00 0.00 O ATOM 0 H ASP A 40 -2.693 -3.223 4.025 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.679 -0.782 3.722 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.029 -2.128 5.018 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.698 -2.729 5.988 1.00 0.00 H new ATOM 541 N GLU A 41 -1.171 -0.577 5.816 1.00 0.00 N ATOM 542 CA GLU A 41 -0.280 0.352 6.501 1.00 0.00 C ATOM 543 C GLU A 41 0.804 0.863 5.555 1.00 0.00 C ATOM 544 O GLU A 41 1.023 2.068 5.437 1.00 0.00 O ATOM 545 CB GLU A 41 0.365 -0.323 7.714 1.00 0.00 C ATOM 546 CG GLU A 41 1.050 0.649 8.659 1.00 0.00 C ATOM 547 CD GLU A 41 1.879 -0.052 9.718 1.00 0.00 C ATOM 548 OE1 GLU A 41 1.407 -1.073 10.260 1.00 0.00 O ATOM 549 OE2 GLU A 41 2.999 0.419 10.002 1.00 0.00 O ATOM 0 H GLU A 41 -0.865 -1.550 5.838 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.874 1.201 6.840 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.400 -0.872 8.263 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.095 -1.054 7.367 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.691 1.317 8.084 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.297 1.269 9.145 1.00 0.00 H new ATOM 556 N CYS A 42 1.478 -0.064 4.882 1.00 0.00 N ATOM 557 CA CYS A 42 2.539 0.290 3.947 1.00 0.00 C ATOM 558 C CYS A 42 2.189 1.565 3.184 1.00 0.00 C ATOM 559 O CYS A 42 3.005 2.481 3.079 1.00 0.00 O ATOM 560 CB CYS A 42 2.782 -0.855 2.962 1.00 0.00 C ATOM 561 SG CYS A 42 4.064 -2.035 3.496 1.00 0.00 S ATOM 0 H CYS A 42 1.308 -1.066 4.967 1.00 0.00 H new ATOM 0 HA CYS A 42 3.449 0.468 4.520 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.847 -1.394 2.811 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.068 -0.436 1.997 1.00 0.00 H new ATOM 0 HG CYS A 42 3.560 -3.233 3.540 1.00 0.00 H new ATOM 566 N ILE A 43 0.971 1.615 2.655 1.00 0.00 N ATOM 567 CA ILE A 43 0.513 2.778 1.904 1.00 0.00 C ATOM 568 C ILE A 43 0.071 3.897 2.840 1.00 0.00 C ATOM 569 O ILE A 43 0.164 5.078 2.501 1.00 0.00 O ATOM 570 CB ILE A 43 -0.653 2.417 0.965 1.00 0.00 C ATOM 571 CG1 ILE A 43 -0.987 3.601 0.055 1.00 0.00 C ATOM 572 CG2 ILE A 43 -1.874 2.002 1.772 1.00 0.00 C ATOM 573 CD1 ILE A 43 0.051 3.850 -1.017 1.00 0.00 C ATOM 0 H ILE A 43 0.284 0.865 2.732 1.00 0.00 H new ATOM 0 HA ILE A 43 1.357 3.121 1.306 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.351 1.576 0.341 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.952 3.423 -0.419 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.091 4.499 0.664 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.690 1.750 1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.628 1.133 2.383 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.180 2.825 2.418 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.251 4.703 -1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.013 4.059 -0.550 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.139 2.967 -1.650 1.00 0.00 H new ATOM 585 N ARG A 44 -0.409 3.520 4.020 1.00 0.00 N ATOM 586 CA ARG A 44 -0.866 4.492 5.006 1.00 0.00 C ATOM 587 C ARG A 44 0.288 5.372 5.476 1.00 0.00 C ATOM 588 O ARG A 44 0.228 6.599 5.377 1.00 0.00 O ATOM 589 CB ARG A 44 -1.498 3.779 6.203 1.00 0.00 C ATOM 590 CG ARG A 44 -2.171 4.721 7.188 1.00 0.00 C ATOM 591 CD ARG A 44 -1.164 5.338 8.146 1.00 0.00 C ATOM 592 NE ARG A 44 -1.774 5.698 9.422 1.00 0.00 N ATOM 593 CZ ARG A 44 -1.957 4.837 10.418 1.00 0.00 C ATOM 594 NH1 ARG A 44 -1.580 3.573 10.285 1.00 0.00 N ATOM 595 NH2 ARG A 44 -2.520 5.241 11.550 1.00 0.00 N ATOM 0 H ARG A 44 -0.492 2.548 4.317 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.616 5.126 4.533 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.233 3.061 5.840 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.728 3.211 6.725 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.687 5.511 6.643 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.927 4.177 7.754 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.350 4.634 8.319 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.726 6.226 7.690 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.076 6.663 9.557 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.148 3.258 9.416 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.722 2.915 11.051 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.812 6.212 11.656 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.660 4.580 12.314 1.00 0.00 H new ATOM 609 N THR A 45 1.338 4.739 5.989 1.00 0.00 N ATOM 610 CA THR A 45 2.505 5.463 6.475 1.00 0.00 C ATOM 611 C THR A 45 3.247 6.144 5.331 1.00 0.00 C ATOM 612 O THR A 45 3.666 7.294 5.448 1.00 0.00 O ATOM 613 CB THR A 45 3.478 4.528 7.220 1.00 0.00 C ATOM 614 OG1 THR A 45 2.791 3.847 8.275 1.00 0.00 O ATOM 615 CG2 THR A 45 4.650 5.310 7.791 1.00 0.00 C ATOM 0 H THR A 45 1.404 3.725 6.079 1.00 0.00 H new ATOM 0 HA THR A 45 2.139 6.221 7.168 1.00 0.00 H new ATOM 0 HB THR A 45 3.863 3.798 6.508 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.415 3.254 8.742 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.323 4.629 8.312 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.188 5.802 6.981 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.281 6.060 8.490 1.00 0.00 H new ATOM 623 N ALA A 46 3.407 5.424 4.225 1.00 0.00 N ATOM 624 CA ALA A 46 4.096 5.960 3.058 1.00 0.00 C ATOM 625 C ALA A 46 3.687 7.404 2.794 1.00 0.00 C ATOM 626 O ALA A 46 4.536 8.277 2.608 1.00 0.00 O ATOM 627 CB ALA A 46 3.814 5.097 1.836 1.00 0.00 C ATOM 0 H ALA A 46 3.069 4.468 4.113 1.00 0.00 H new ATOM 0 HA ALA A 46 5.167 5.945 3.261 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.335 5.509 0.972 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.163 4.081 2.020 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.742 5.082 1.640 1.00 0.00 H new ATOM 633 N LEU A 47 2.382 7.652 2.778 1.00 0.00 N ATOM 634 CA LEU A 47 1.860 8.992 2.536 1.00 0.00 C ATOM 635 C LEU A 47 2.307 9.957 3.630 1.00 0.00 C ATOM 636 O LEU A 47 2.805 11.046 3.345 1.00 0.00 O ATOM 637 CB LEU A 47 0.333 8.960 2.462 1.00 0.00 C ATOM 638 CG LEU A 47 -0.266 8.209 1.272 1.00 0.00 C ATOM 639 CD1 LEU A 47 -1.751 7.962 1.488 1.00 0.00 C ATOM 640 CD2 LEU A 47 -0.035 8.984 -0.018 1.00 0.00 C ATOM 0 H LEU A 47 1.666 6.942 2.930 1.00 0.00 H new ATOM 0 HA LEU A 47 2.257 9.343 1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.046 8.508 3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.031 9.987 2.438 1.00 0.00 H new ATOM 0 HG LEU A 47 0.233 7.244 1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.159 7.427 0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.893 7.366 2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.266 8.916 1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.468 8.435 -0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.507 9.964 0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.036 9.109 -0.181 1.00 0.00 H new ATOM 652 N LEU A 48 2.128 9.549 4.881 1.00 0.00 N ATOM 653 CA LEU A 48 2.515 10.375 6.019 1.00 0.00 C ATOM 654 C LEU A 48 3.987 10.766 5.932 1.00 0.00 C ATOM 655 O LEU A 48 4.327 11.948 5.955 1.00 0.00 O ATOM 656 CB LEU A 48 2.250 9.632 7.329 1.00 0.00 C ATOM 657 CG LEU A 48 0.876 9.855 7.960 1.00 0.00 C ATOM 658 CD1 LEU A 48 0.731 11.294 8.430 1.00 0.00 C ATOM 659 CD2 LEU A 48 -0.229 9.500 6.976 1.00 0.00 C ATOM 0 H LEU A 48 1.717 8.650 5.133 1.00 0.00 H new ATOM 0 HA LEU A 48 1.914 11.284 5.997 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.377 8.564 7.150 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.012 9.927 8.051 1.00 0.00 H new ATOM 0 HG LEU A 48 0.787 9.200 8.827 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.254 11.434 8.876 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.500 11.514 9.171 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.843 11.967 7.580 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.200 9.665 7.444 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.142 10.128 6.089 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.138 8.452 6.689 1.00 0.00 H new ATOM 671 N GLU A 49 4.855 9.763 5.831 1.00 0.00 N ATOM 672 CA GLU A 49 6.290 10.003 5.738 1.00 0.00 C ATOM 673 C GLU A 49 6.584 11.229 4.877 1.00 0.00 C ATOM 674 O GLU A 49 7.217 12.181 5.329 1.00 0.00 O ATOM 675 CB GLU A 49 6.999 8.778 5.159 1.00 0.00 C ATOM 676 CG GLU A 49 6.896 7.543 6.039 1.00 0.00 C ATOM 677 CD GLU A 49 7.714 6.380 5.511 1.00 0.00 C ATOM 678 OE1 GLU A 49 8.910 6.584 5.216 1.00 0.00 O ATOM 679 OE2 GLU A 49 7.158 5.268 5.392 1.00 0.00 O ATOM 0 H GLU A 49 4.589 8.778 5.812 1.00 0.00 H new ATOM 0 HA GLU A 49 6.666 10.189 6.744 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.576 8.553 4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.051 9.017 5.004 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.231 7.790 7.046 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.851 7.242 6.116 1.00 0.00 H new ATOM 686 N SER A 50 6.117 11.195 3.632 1.00 0.00 N ATOM 687 CA SER A 50 6.332 12.298 2.705 1.00 0.00 C ATOM 688 C SER A 50 5.747 13.594 3.258 1.00 0.00 C ATOM 689 O SER A 50 5.101 13.599 4.306 1.00 0.00 O ATOM 690 CB SER A 50 5.704 11.981 1.347 1.00 0.00 C ATOM 691 OG SER A 50 6.303 12.747 0.316 1.00 0.00 O ATOM 0 H SER A 50 5.587 10.415 3.243 1.00 0.00 H new ATOM 0 HA SER A 50 7.407 12.429 2.578 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.819 10.919 1.129 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.634 12.185 1.381 1.00 0.00 H new ATOM 0 HG SER A 50 5.729 13.511 0.100 1.00 0.00 H new ATOM 697 N ASP A 51 5.979 14.692 2.546 1.00 0.00 N ATOM 698 CA ASP A 51 5.475 15.995 2.965 1.00 0.00 C ATOM 699 C ASP A 51 4.219 16.368 2.182 1.00 0.00 C ATOM 700 O ASP A 51 3.252 16.875 2.750 1.00 0.00 O ATOM 701 CB ASP A 51 6.548 17.067 2.770 1.00 0.00 C ATOM 702 CG ASP A 51 6.077 18.442 3.199 1.00 0.00 C ATOM 703 OD1 ASP A 51 4.911 18.786 2.912 1.00 0.00 O ATOM 704 OD2 ASP A 51 6.874 19.176 3.821 1.00 0.00 O ATOM 0 H ASP A 51 6.512 14.706 1.677 1.00 0.00 H new ATOM 0 HA ASP A 51 5.219 15.936 4.023 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.436 16.796 3.341 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.841 17.097 1.720 1.00 0.00 H new ATOM 709 N GLU A 52 4.243 16.114 0.878 1.00 0.00 N ATOM 710 CA GLU A 52 3.107 16.425 0.019 1.00 0.00 C ATOM 711 C GLU A 52 2.437 15.149 -0.481 1.00 0.00 C ATOM 712 O GLU A 52 2.230 14.971 -1.682 1.00 0.00 O ATOM 713 CB GLU A 52 3.556 17.278 -1.170 1.00 0.00 C ATOM 714 CG GLU A 52 3.831 18.727 -0.809 1.00 0.00 C ATOM 715 CD GLU A 52 3.641 19.667 -1.985 1.00 0.00 C ATOM 716 OE1 GLU A 52 4.494 19.655 -2.897 1.00 0.00 O ATOM 717 OE2 GLU A 52 2.639 20.412 -1.993 1.00 0.00 O ATOM 0 H GLU A 52 5.036 15.694 0.393 1.00 0.00 H new ATOM 0 HA GLU A 52 2.383 16.988 0.608 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.458 16.842 -1.599 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.787 17.244 -1.942 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.168 19.028 0.003 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.852 18.818 -0.437 1.00 0.00 H new ATOM 724 N HIS A 53 2.101 14.261 0.450 1.00 0.00 N ATOM 725 CA HIS A 53 1.453 12.999 0.104 1.00 0.00 C ATOM 726 C HIS A 53 1.949 12.485 -1.244 1.00 0.00 C ATOM 727 O HIS A 53 1.158 12.078 -2.095 1.00 0.00 O ATOM 728 CB HIS A 53 -0.065 13.173 0.069 1.00 0.00 C ATOM 729 CG HIS A 53 -0.723 12.958 1.398 1.00 0.00 C ATOM 730 ND1 HIS A 53 -2.060 12.649 1.533 1.00 0.00 N ATOM 731 CD2 HIS A 53 -0.220 13.007 2.653 1.00 0.00 C ATOM 732 CE1 HIS A 53 -2.351 12.518 2.815 1.00 0.00 C ATOM 733 NE2 HIS A 53 -1.252 12.730 3.516 1.00 0.00 N ATOM 0 H HIS A 53 2.266 14.391 1.448 1.00 0.00 H new ATOM 0 HA HIS A 53 1.709 12.266 0.869 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.299 14.177 -0.285 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.486 12.474 -0.653 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.802 13.224 2.925 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -3.323 12.278 3.221 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -1.181 12.694 4.533 1.00 0.00 H new ATOM 741 N THR A 54 3.266 12.508 -1.433 1.00 0.00 N ATOM 742 CA THR A 54 3.866 12.047 -2.678 1.00 0.00 C ATOM 743 C THR A 54 3.847 10.526 -2.767 1.00 0.00 C ATOM 744 O THR A 54 4.138 9.832 -1.793 1.00 0.00 O ATOM 745 CB THR A 54 5.320 12.538 -2.815 1.00 0.00 C ATOM 746 OG1 THR A 54 5.378 13.956 -2.618 1.00 0.00 O ATOM 747 CG2 THR A 54 5.882 12.188 -4.185 1.00 0.00 C ATOM 0 H THR A 54 3.936 12.841 -0.740 1.00 0.00 H new ATOM 0 HA THR A 54 3.270 12.464 -3.490 1.00 0.00 H new ATOM 0 HB THR A 54 5.922 12.041 -2.055 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.305 14.261 -2.705 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.909 12.544 -4.259 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.862 11.107 -4.321 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.277 12.662 -4.958 1.00 0.00 H new ATOM 755 N CYS A 55 3.502 10.011 -3.943 1.00 0.00 N ATOM 756 CA CYS A 55 3.444 8.571 -4.161 1.00 0.00 C ATOM 757 C CYS A 55 4.831 8.009 -4.459 1.00 0.00 C ATOM 758 O CYS A 55 5.599 8.567 -5.244 1.00 0.00 O ATOM 759 CB CYS A 55 2.492 8.246 -5.314 1.00 0.00 C ATOM 760 SG CYS A 55 2.261 6.463 -5.608 1.00 0.00 S ATOM 0 H CYS A 55 3.258 10.571 -4.760 1.00 0.00 H new ATOM 0 HA CYS A 55 3.071 8.106 -3.248 1.00 0.00 H new ATOM 0 HB2 CYS A 55 1.522 8.698 -5.108 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.872 8.707 -6.226 1.00 0.00 H new ATOM 0 HG CYS A 55 1.945 6.266 -6.853 1.00 0.00 H new ATOM 765 N PRO A 56 5.162 6.878 -3.818 1.00 0.00 N ATOM 766 CA PRO A 56 6.456 6.215 -3.998 1.00 0.00 C ATOM 767 C PRO A 56 6.600 5.589 -5.381 1.00 0.00 C ATOM 768 O PRO A 56 7.699 5.224 -5.798 1.00 0.00 O ATOM 769 CB PRO A 56 6.454 5.132 -2.917 1.00 0.00 C ATOM 770 CG PRO A 56 5.013 4.853 -2.664 1.00 0.00 C ATOM 771 CD PRO A 56 4.297 6.159 -2.868 1.00 0.00 C ATOM 0 HA PRO A 56 7.287 6.915 -3.916 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.978 4.237 -3.252 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.956 5.475 -2.012 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.637 4.091 -3.347 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.860 4.478 -1.652 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.295 6.009 -3.271 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.186 6.707 -1.932 1.00 0.00 H new ATOM 779 N THR A 57 5.481 5.468 -6.089 1.00 0.00 N ATOM 780 CA THR A 57 5.483 4.884 -7.424 1.00 0.00 C ATOM 781 C THR A 57 5.487 5.967 -8.497 1.00 0.00 C ATOM 782 O THR A 57 6.371 6.005 -9.353 1.00 0.00 O ATOM 783 CB THR A 57 4.262 3.970 -7.639 1.00 0.00 C ATOM 784 OG1 THR A 57 4.075 3.125 -6.498 1.00 0.00 O ATOM 785 CG2 THR A 57 4.438 3.115 -8.885 1.00 0.00 C ATOM 0 H THR A 57 4.563 5.767 -5.760 1.00 0.00 H new ATOM 0 HA THR A 57 6.392 4.289 -7.508 1.00 0.00 H new ATOM 0 HB THR A 57 3.383 4.601 -7.772 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.220 2.653 -6.577 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.563 2.478 -9.016 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.551 3.760 -9.756 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.327 2.493 -8.777 1.00 0.00 H new ATOM 793 N CYS A 58 4.493 6.849 -8.446 1.00 0.00 N ATOM 794 CA CYS A 58 4.382 7.933 -9.413 1.00 0.00 C ATOM 795 C CYS A 58 4.560 9.288 -8.734 1.00 0.00 C ATOM 796 O CYS A 58 4.645 9.374 -7.508 1.00 0.00 O ATOM 797 CB CYS A 58 3.026 7.879 -10.118 1.00 0.00 C ATOM 798 SG CYS A 58 1.600 8.116 -9.010 1.00 0.00 S ATOM 0 H CYS A 58 3.753 6.833 -7.744 1.00 0.00 H new ATOM 0 HA CYS A 58 5.174 7.809 -10.152 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.001 8.645 -10.893 1.00 0.00 H new ATOM 0 HB3 CYS A 58 2.927 6.916 -10.618 1.00 0.00 H new ATOM 0 HG CYS A 58 1.062 6.963 -8.743 1.00 0.00 H new ATOM 803 N HIS A 59 4.615 10.345 -9.538 1.00 0.00 N ATOM 804 CA HIS A 59 4.782 11.697 -9.014 1.00 0.00 C ATOM 805 C HIS A 59 3.427 12.344 -8.740 1.00 0.00 C ATOM 806 O HIS A 59 2.838 12.970 -9.621 1.00 0.00 O ATOM 807 CB HIS A 59 5.579 12.553 -9.999 1.00 0.00 C ATOM 808 CG HIS A 59 6.851 11.910 -10.458 1.00 0.00 C ATOM 809 ND1 HIS A 59 7.080 11.546 -11.769 1.00 0.00 N ATOM 810 CD2 HIS A 59 7.967 11.567 -9.774 1.00 0.00 C ATOM 811 CE1 HIS A 59 8.281 11.006 -11.869 1.00 0.00 C ATOM 812 NE2 HIS A 59 8.841 11.007 -10.673 1.00 0.00 N ATOM 0 H HIS A 59 4.546 10.292 -10.554 1.00 0.00 H new ATOM 0 HA HIS A 59 5.331 11.632 -8.074 1.00 0.00 H new ATOM 0 HB2 HIS A 59 4.956 12.768 -10.867 1.00 0.00 H new ATOM 0 HB3 HIS A 59 5.813 13.509 -9.530 1.00 0.00 H new ATOM 0 HD2 HIS A 59 8.139 11.708 -8.717 1.00 0.00 H new ATOM 0 HE1 HIS A 59 8.729 10.628 -12.776 1.00 0.00 H new ATOM 0 HE2 HIS A 59 9.771 10.650 -10.453 1.00 0.00 H new ATOM 820 N GLN A 60 2.940 12.187 -7.513 1.00 0.00 N ATOM 821 CA GLN A 60 1.655 12.755 -7.125 1.00 0.00 C ATOM 822 C GLN A 60 1.840 13.878 -6.110 1.00 0.00 C ATOM 823 O GLN A 60 2.938 14.088 -5.595 1.00 0.00 O ATOM 824 CB GLN A 60 0.748 11.669 -6.541 1.00 0.00 C ATOM 825 CG GLN A 60 -0.728 11.891 -6.825 1.00 0.00 C ATOM 826 CD GLN A 60 -1.012 12.110 -8.298 1.00 0.00 C ATOM 827 OE1 GLN A 60 -1.159 11.155 -9.062 1.00 0.00 O ATOM 828 NE2 GLN A 60 -1.092 13.372 -8.705 1.00 0.00 N ATOM 0 H GLN A 60 3.415 11.672 -6.772 1.00 0.00 H new ATOM 0 HA GLN A 60 1.186 13.170 -8.017 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.046 10.702 -6.946 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.899 11.623 -5.462 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.295 11.029 -6.474 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.077 12.755 -6.259 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.963 14.132 -8.037 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.282 13.581 -9.685 1.00 0.00 H new ATOM 837 N ASN A 61 0.759 14.598 -5.826 1.00 0.00 N ATOM 838 CA ASN A 61 0.804 15.702 -4.874 1.00 0.00 C ATOM 839 C ASN A 61 -0.207 15.491 -3.751 1.00 0.00 C ATOM 840 O ASN A 61 0.111 15.666 -2.575 1.00 0.00 O ATOM 841 CB ASN A 61 0.525 17.028 -5.584 1.00 0.00 C ATOM 842 CG ASN A 61 0.982 17.016 -7.030 1.00 0.00 C ATOM 843 OD1 ASN A 61 2.154 17.244 -7.326 1.00 0.00 O ATOM 844 ND2 ASN A 61 0.053 16.749 -7.941 1.00 0.00 N ATOM 0 H ASN A 61 -0.158 14.437 -6.242 1.00 0.00 H new ATOM 0 HA ASN A 61 1.803 15.734 -4.440 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.543 17.240 -5.545 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.030 17.835 -5.053 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.300 16.727 -8.930 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.908 16.566 -7.651 1.00 0.00 H new ATOM 851 N ASP A 62 -1.426 15.115 -4.123 1.00 0.00 N ATOM 852 CA ASP A 62 -2.483 14.879 -3.147 1.00 0.00 C ATOM 853 C ASP A 62 -3.165 13.537 -3.398 1.00 0.00 C ATOM 854 O ASP A 62 -3.934 13.388 -4.348 1.00 0.00 O ATOM 855 CB ASP A 62 -3.516 16.007 -3.199 1.00 0.00 C ATOM 856 CG ASP A 62 -3.811 16.456 -4.617 1.00 0.00 C ATOM 857 OD1 ASP A 62 -2.964 17.160 -5.205 1.00 0.00 O ATOM 858 OD2 ASP A 62 -4.890 16.104 -5.138 1.00 0.00 O ATOM 0 H ASP A 62 -1.706 14.967 -5.093 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.030 14.857 -2.156 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.440 15.672 -2.727 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.152 16.856 -2.620 1.00 0.00 H new ATOM 863 N VAL A 63 -2.877 12.564 -2.540 1.00 0.00 N ATOM 864 CA VAL A 63 -3.461 11.234 -2.669 1.00 0.00 C ATOM 865 C VAL A 63 -4.540 11.005 -1.617 1.00 0.00 C ATOM 866 O VAL A 63 -4.245 10.851 -0.432 1.00 0.00 O ATOM 867 CB VAL A 63 -2.390 10.135 -2.537 1.00 0.00 C ATOM 868 CG1 VAL A 63 -3.042 8.766 -2.412 1.00 0.00 C ATOM 869 CG2 VAL A 63 -1.438 10.175 -3.723 1.00 0.00 C ATOM 0 H VAL A 63 -2.243 12.671 -1.748 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.907 11.179 -3.662 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.813 10.320 -1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.270 8.002 -2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.680 8.746 -1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.644 8.568 -3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.688 9.392 -3.614 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.998 10.015 -4.644 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.946 11.147 -3.762 1.00 0.00 H new ATOM 879 N SER A 64 -5.794 10.982 -2.059 1.00 0.00 N ATOM 880 CA SER A 64 -6.919 10.774 -1.155 1.00 0.00 C ATOM 881 C SER A 64 -6.943 9.341 -0.636 1.00 0.00 C ATOM 882 O SER A 64 -7.045 8.379 -1.398 1.00 0.00 O ATOM 883 CB SER A 64 -8.236 11.093 -1.866 1.00 0.00 C ATOM 884 OG SER A 64 -8.207 12.390 -2.437 1.00 0.00 O ATOM 0 H SER A 64 -6.056 11.105 -3.037 1.00 0.00 H new ATOM 0 HA SER A 64 -6.799 11.446 -0.306 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.421 10.353 -2.645 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.061 11.023 -1.158 1.00 0.00 H new ATOM 0 HG SER A 64 -9.059 12.569 -2.887 1.00 0.00 H new ATOM 890 N PRO A 65 -6.844 9.191 0.693 1.00 0.00 N ATOM 891 CA PRO A 65 -6.851 7.878 1.345 1.00 0.00 C ATOM 892 C PRO A 65 -8.216 7.202 1.272 1.00 0.00 C ATOM 893 O PRO A 65 -8.315 5.976 1.312 1.00 0.00 O ATOM 894 CB PRO A 65 -6.491 8.201 2.797 1.00 0.00 C ATOM 895 CG PRO A 65 -6.922 9.615 2.988 1.00 0.00 C ATOM 896 CD PRO A 65 -6.718 10.293 1.662 1.00 0.00 C ATOM 0 HA PRO A 65 -6.163 7.181 0.866 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -7.004 7.534 3.490 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -5.422 8.085 2.975 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.966 9.666 3.296 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -6.335 10.100 3.768 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.464 11.068 1.488 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.741 10.772 1.601 1.00 0.00 H new ATOM 904 N ASP A 66 -9.266 8.009 1.163 1.00 0.00 N ATOM 905 CA ASP A 66 -10.625 7.488 1.083 1.00 0.00 C ATOM 906 C ASP A 66 -10.825 6.684 -0.198 1.00 0.00 C ATOM 907 O ASP A 66 -11.447 5.623 -0.185 1.00 0.00 O ATOM 908 CB ASP A 66 -11.638 8.635 1.143 1.00 0.00 C ATOM 909 CG ASP A 66 -11.206 9.739 2.087 1.00 0.00 C ATOM 910 OD1 ASP A 66 -10.792 9.422 3.222 1.00 0.00 O ATOM 911 OD2 ASP A 66 -11.284 10.921 1.692 1.00 0.00 O ATOM 0 H ASP A 66 -9.202 9.026 1.128 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.785 6.826 1.934 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.775 9.048 0.144 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -12.605 8.246 1.462 1.00 0.00 H new ATOM 916 N ALA A 67 -10.292 7.198 -1.302 1.00 0.00 N ATOM 917 CA ALA A 67 -10.410 6.526 -2.591 1.00 0.00 C ATOM 918 C ALA A 67 -9.967 5.071 -2.494 1.00 0.00 C ATOM 919 O ALA A 67 -10.657 4.168 -2.969 1.00 0.00 O ATOM 920 CB ALA A 67 -9.595 7.260 -3.645 1.00 0.00 C ATOM 0 H ALA A 67 -9.775 8.077 -1.330 1.00 0.00 H new ATOM 0 HA ALA A 67 -11.459 6.539 -2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.692 6.748 -4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.961 8.282 -3.742 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.547 7.277 -3.347 1.00 0.00 H new ATOM 926 N LEU A 68 -8.811 4.850 -1.878 1.00 0.00 N ATOM 927 CA LEU A 68 -8.274 3.502 -1.720 1.00 0.00 C ATOM 928 C LEU A 68 -9.393 2.497 -1.469 1.00 0.00 C ATOM 929 O LEU A 68 -10.419 2.828 -0.874 1.00 0.00 O ATOM 930 CB LEU A 68 -7.270 3.465 -0.566 1.00 0.00 C ATOM 931 CG LEU A 68 -6.087 4.426 -0.675 1.00 0.00 C ATOM 932 CD1 LEU A 68 -5.165 4.276 0.526 1.00 0.00 C ATOM 933 CD2 LEU A 68 -5.323 4.189 -1.970 1.00 0.00 C ATOM 0 H LEU A 68 -8.228 5.586 -1.480 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.766 3.228 -2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.803 3.680 0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.881 2.450 -0.481 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.472 5.446 -0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.328 4.968 0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.718 4.498 1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.788 3.254 0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.484 4.883 -2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.949 3.165 -1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.988 4.349 -2.819 1.00 0.00 H new ATOM 945 N SER A 69 -9.188 1.265 -1.924 1.00 0.00 N ATOM 946 CA SER A 69 -10.179 0.210 -1.750 1.00 0.00 C ATOM 947 C SER A 69 -9.892 -0.605 -0.493 1.00 0.00 C ATOM 948 O SER A 69 -8.885 -1.306 -0.411 1.00 0.00 O ATOM 949 CB SER A 69 -10.197 -0.709 -2.973 1.00 0.00 C ATOM 950 OG SER A 69 -10.368 0.035 -4.167 1.00 0.00 O ATOM 0 H SER A 69 -8.344 0.973 -2.416 1.00 0.00 H new ATOM 0 HA SER A 69 -11.157 0.680 -1.642 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.265 -1.273 -3.022 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.004 -1.435 -2.874 1.00 0.00 H new ATOM 0 HG SER A 69 -10.374 -0.575 -4.934 1.00 0.00 H new