USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 374 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0265 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -5.34! C(o=-5.3!,f=-6!) USER MOD Single : A 23 GLN : amide:sc= -0.947 X(o=-0.95,f=-1.1) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.415 F(o=-1.5,f=-0.42) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.0397 K(o=-0.04,f=-1.7!) USER MOD Single : A 41 SER OG : rot -84:sc= 0.206 USER MOD Single : A 42 ASN : amide:sc= 0.76 K(o=0.76,f=-0.18) USER MOD Single : A 45 ASN : amide:sc= -0.0171 X(o=-0.017,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0.481 K(o=0.48,f=-0.096) USER MOD ----------------------------------------------------------------- ATOM 174 N PHE A 14 -5.263 -2.114 -10.835 1.00 0.00 N ATOM 175 CA PHE A 14 -5.752 -2.906 -9.713 1.00 0.00 C ATOM 176 C PHE A 14 -6.923 -2.210 -9.025 1.00 0.00 C ATOM 177 O PHE A 14 -7.180 -1.028 -9.255 1.00 0.00 O ATOM 178 CB PHE A 14 -4.626 -3.151 -8.706 1.00 0.00 C ATOM 179 CG PHE A 14 -3.328 -3.555 -9.344 1.00 0.00 C ATOM 180 CD1 PHE A 14 -2.474 -2.601 -9.872 1.00 0.00 C ATOM 181 CD2 PHE A 14 -2.963 -4.890 -9.417 1.00 0.00 C ATOM 182 CE1 PHE A 14 -1.278 -2.970 -10.460 1.00 0.00 C ATOM 183 CE2 PHE A 14 -1.769 -5.264 -10.003 1.00 0.00 C ATOM 184 CZ PHE A 14 -0.926 -4.303 -10.526 1.00 0.00 C ATOM 0 HA PHE A 14 -6.099 -3.864 -10.100 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.468 -2.244 -8.122 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.936 -3.929 -8.008 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.745 -1.557 -9.824 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.619 -5.646 -9.011 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.620 -2.216 -10.867 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.495 -6.307 -10.052 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.007 -4.594 -10.986 1.00 0.00 H new ATOM 194 N THR A 15 -7.631 -2.952 -8.179 1.00 0.00 N ATOM 195 CA THR A 15 -8.775 -2.408 -7.458 1.00 0.00 C ATOM 196 C THR A 15 -8.461 -2.239 -5.976 1.00 0.00 C ATOM 197 O THR A 15 -7.631 -2.959 -5.421 1.00 0.00 O ATOM 198 CB THR A 15 -10.014 -3.311 -7.609 1.00 0.00 C ATOM 199 OG1 THR A 15 -11.089 -2.805 -6.809 1.00 0.00 O ATOM 200 CG2 THR A 15 -9.696 -4.740 -7.196 1.00 0.00 C ATOM 0 H THR A 15 -7.432 -3.932 -7.976 1.00 0.00 H new ATOM 0 HA THR A 15 -8.990 -1.432 -7.894 1.00 0.00 H new ATOM 0 HB THR A 15 -10.311 -3.311 -8.658 1.00 0.00 H new ATOM 0 HG1 THR A 15 -11.873 -3.383 -6.912 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.586 -5.359 -7.311 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.898 -5.132 -7.826 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.376 -4.755 -6.154 1.00 0.00 H new ATOM 208 N ASP A 16 -9.130 -1.283 -5.340 1.00 0.00 N ATOM 209 CA ASP A 16 -8.924 -1.020 -3.921 1.00 0.00 C ATOM 210 C ASP A 16 -8.630 -2.313 -3.166 1.00 0.00 C ATOM 211 O ASP A 16 -7.702 -2.376 -2.359 1.00 0.00 O ATOM 212 CB ASP A 16 -10.153 -0.334 -3.324 1.00 0.00 C ATOM 213 CG ASP A 16 -10.800 0.639 -4.290 1.00 0.00 C ATOM 214 OD1 ASP A 16 -10.144 1.637 -4.655 1.00 0.00 O ATOM 215 OD2 ASP A 16 -11.962 0.401 -4.682 1.00 0.00 O ATOM 0 H ASP A 16 -9.820 -0.678 -5.785 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.064 -0.358 -3.820 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.882 -1.090 -3.032 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.864 0.197 -2.417 1.00 0.00 H new ATOM 220 N TYR A 17 -9.428 -3.341 -3.432 1.00 0.00 N ATOM 221 CA TYR A 17 -9.256 -4.632 -2.775 1.00 0.00 C ATOM 222 C TYR A 17 -7.824 -5.135 -2.928 1.00 0.00 C ATOM 223 O TYR A 17 -7.210 -5.595 -1.966 1.00 0.00 O ATOM 224 CB TYR A 17 -10.233 -5.657 -3.354 1.00 0.00 C ATOM 225 CG TYR A 17 -9.764 -7.087 -3.212 1.00 0.00 C ATOM 226 CD1 TYR A 17 -9.246 -7.553 -2.010 1.00 0.00 C ATOM 227 CD2 TYR A 17 -9.838 -7.972 -4.281 1.00 0.00 C ATOM 228 CE1 TYR A 17 -8.816 -8.859 -1.876 1.00 0.00 C ATOM 229 CE2 TYR A 17 -9.411 -9.280 -4.155 1.00 0.00 C ATOM 230 CZ TYR A 17 -8.901 -9.719 -2.951 1.00 0.00 C ATOM 231 OH TYR A 17 -8.474 -11.021 -2.822 1.00 0.00 O ATOM 0 H TYR A 17 -10.200 -3.306 -4.098 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.464 -4.501 -1.713 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.197 -5.549 -2.857 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.392 -5.439 -4.410 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.178 -6.883 -1.166 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.236 -7.632 -5.226 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.415 -9.205 -0.935 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.476 -9.955 -4.995 1.00 0.00 H new ATOM 0 HH TYR A 17 -8.604 -11.493 -3.671 1.00 0.00 H new ATOM 241 N GLN A 18 -7.298 -5.042 -4.146 1.00 0.00 N ATOM 242 CA GLN A 18 -5.938 -5.487 -4.426 1.00 0.00 C ATOM 243 C GLN A 18 -4.917 -4.482 -3.904 1.00 0.00 C ATOM 244 O GLN A 18 -3.988 -4.843 -3.181 1.00 0.00 O ATOM 245 CB GLN A 18 -5.746 -5.693 -5.930 1.00 0.00 C ATOM 246 CG GLN A 18 -6.724 -6.685 -6.538 1.00 0.00 C ATOM 247 CD GLN A 18 -6.144 -7.421 -7.729 1.00 0.00 C ATOM 248 OE1 GLN A 18 -5.641 -6.805 -8.669 1.00 0.00 O ATOM 249 NE2 GLN A 18 -6.212 -8.747 -7.697 1.00 0.00 N ATOM 0 H GLN A 18 -7.793 -4.663 -4.953 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.781 -6.436 -3.913 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.853 -4.734 -6.436 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.729 -6.039 -6.114 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -7.021 -7.408 -5.779 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.626 -6.157 -6.846 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.638 -9.217 -6.898 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.839 -9.296 -8.472 1.00 0.00 H new ATOM 258 N LEU A 19 -5.096 -3.219 -4.275 1.00 0.00 N ATOM 259 CA LEU A 19 -4.190 -2.159 -3.845 1.00 0.00 C ATOM 260 C LEU A 19 -4.057 -2.141 -2.325 1.00 0.00 C ATOM 261 O LEU A 19 -3.019 -1.755 -1.788 1.00 0.00 O ATOM 262 CB LEU A 19 -4.689 -0.801 -4.341 1.00 0.00 C ATOM 263 CG LEU A 19 -4.452 -0.499 -5.821 1.00 0.00 C ATOM 264 CD1 LEU A 19 -5.162 0.783 -6.225 1.00 0.00 C ATOM 265 CD2 LEU A 19 -2.962 -0.400 -6.113 1.00 0.00 C ATOM 0 H LEU A 19 -5.860 -2.904 -4.873 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.208 -2.357 -4.276 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.759 -0.736 -4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.208 -0.022 -3.750 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.864 -1.319 -6.409 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.982 0.981 -7.282 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.233 0.675 -6.054 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.781 1.613 -5.630 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.812 -0.185 -7.171 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.526 0.400 -5.515 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.479 -1.344 -5.863 1.00 0.00 H new ATOM 277 N ARG A 20 -5.115 -2.561 -1.639 1.00 0.00 N ATOM 278 CA ARG A 20 -5.116 -2.594 -0.181 1.00 0.00 C ATOM 279 C ARG A 20 -4.070 -3.574 0.342 1.00 0.00 C ATOM 280 O ARG A 20 -3.280 -3.242 1.226 1.00 0.00 O ATOM 281 CB ARG A 20 -6.500 -2.983 0.340 1.00 0.00 C ATOM 282 CG ARG A 20 -6.653 -2.820 1.844 1.00 0.00 C ATOM 283 CD ARG A 20 -6.193 -4.064 2.588 1.00 0.00 C ATOM 284 NE ARG A 20 -6.222 -3.878 4.036 1.00 0.00 N ATOM 285 CZ ARG A 20 -7.309 -4.058 4.779 1.00 0.00 C ATOM 286 NH1 ARG A 20 -8.449 -4.427 4.212 1.00 0.00 N ATOM 287 NH2 ARG A 20 -7.256 -3.869 6.091 1.00 0.00 N ATOM 0 H ARG A 20 -5.982 -2.883 -2.069 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.866 -1.596 0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.252 -2.374 -0.161 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.701 -4.021 0.073 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.074 -1.959 2.179 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.696 -2.615 2.085 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.832 -4.905 2.318 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.180 -4.320 2.276 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.361 -3.594 4.503 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.493 -4.573 3.204 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.282 -4.565 4.784 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.380 -3.585 6.530 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.091 -4.007 6.660 1.00 0.00 H new ATOM 301 N VAL A 21 -4.071 -4.783 -0.211 1.00 0.00 N ATOM 302 CA VAL A 21 -3.122 -5.811 0.199 1.00 0.00 C ATOM 303 C VAL A 21 -1.718 -5.495 -0.303 1.00 0.00 C ATOM 304 O VAL A 21 -0.734 -5.677 0.415 1.00 0.00 O ATOM 305 CB VAL A 21 -3.540 -7.200 -0.320 1.00 0.00 C ATOM 306 CG1 VAL A 21 -2.518 -8.251 0.083 1.00 0.00 C ATOM 307 CG2 VAL A 21 -4.924 -7.566 0.194 1.00 0.00 C ATOM 0 H VAL A 21 -4.718 -5.074 -0.944 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.121 -5.823 1.289 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.579 -7.165 -1.409 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.831 -9.225 -0.293 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.546 -7.994 -0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.443 -8.288 1.170 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.203 -8.550 -0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.915 -7.583 1.284 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.647 -6.827 -0.151 1.00 0.00 H new ATOM 317 N LEU A 22 -1.631 -5.020 -1.541 1.00 0.00 N ATOM 318 CA LEU A 22 -0.346 -4.677 -2.141 1.00 0.00 C ATOM 319 C LEU A 22 0.334 -3.553 -1.366 1.00 0.00 C ATOM 320 O LEU A 22 1.525 -3.625 -1.067 1.00 0.00 O ATOM 321 CB LEU A 22 -0.537 -4.263 -3.601 1.00 0.00 C ATOM 322 CG LEU A 22 -1.047 -5.351 -4.546 1.00 0.00 C ATOM 323 CD1 LEU A 22 -1.437 -4.752 -5.888 1.00 0.00 C ATOM 324 CD2 LEU A 22 0.005 -6.435 -4.729 1.00 0.00 C ATOM 0 H LEU A 22 -2.435 -4.864 -2.149 1.00 0.00 H new ATOM 0 HA LEU A 22 0.293 -5.559 -2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.235 -3.426 -3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.417 -3.897 -3.982 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.933 -5.805 -4.102 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.798 -5.541 -6.548 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.225 -4.013 -5.741 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.568 -4.272 -6.338 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.376 -7.201 -5.405 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.910 -5.997 -5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.235 -6.885 -3.763 1.00 0.00 H new ATOM 336 N GLN A 23 -0.433 -2.517 -1.042 1.00 0.00 N ATOM 337 CA GLN A 23 0.096 -1.378 -0.300 1.00 0.00 C ATOM 338 C GLN A 23 0.353 -1.750 1.157 1.00 0.00 C ATOM 339 O GLN A 23 1.357 -1.344 1.743 1.00 0.00 O ATOM 340 CB GLN A 23 -0.876 -0.199 -0.374 1.00 0.00 C ATOM 341 CG GLN A 23 -0.210 1.152 -0.163 1.00 0.00 C ATOM 342 CD GLN A 23 0.750 1.510 -1.280 1.00 0.00 C ATOM 343 OE1 GLN A 23 0.332 1.859 -2.384 1.00 0.00 O ATOM 344 NE2 GLN A 23 2.044 1.427 -0.997 1.00 0.00 N ATOM 0 H GLN A 23 -1.422 -2.443 -1.281 1.00 0.00 H new ATOM 0 HA GLN A 23 1.043 -1.088 -0.755 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.368 -0.205 -1.347 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.654 -0.333 0.377 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.977 1.923 -0.087 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.328 1.143 0.785 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.345 1.133 -0.068 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.737 1.657 -1.709 1.00 0.00 H new ATOM 353 N ASP A 24 -0.560 -2.522 1.735 1.00 0.00 N ATOM 354 CA ASP A 24 -0.432 -2.949 3.124 1.00 0.00 C ATOM 355 C ASP A 24 0.837 -3.771 3.324 1.00 0.00 C ATOM 356 O ASP A 24 1.516 -3.646 4.344 1.00 0.00 O ATOM 357 CB ASP A 24 -1.655 -3.765 3.544 1.00 0.00 C ATOM 358 CG ASP A 24 -1.579 -4.221 4.988 1.00 0.00 C ATOM 359 OD1 ASP A 24 -2.034 -3.467 5.873 1.00 0.00 O ATOM 360 OD2 ASP A 24 -1.065 -5.332 5.232 1.00 0.00 O ATOM 0 H ASP A 24 -1.397 -2.865 1.264 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.369 -2.058 3.748 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.554 -3.165 3.402 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.747 -4.636 2.895 1.00 0.00 H new ATOM 365 N PHE A 25 1.151 -4.614 2.345 1.00 0.00 N ATOM 366 CA PHE A 25 2.337 -5.459 2.415 1.00 0.00 C ATOM 367 C PHE A 25 3.603 -4.641 2.172 1.00 0.00 C ATOM 368 O PHE A 25 4.674 -4.968 2.683 1.00 0.00 O ATOM 369 CB PHE A 25 2.244 -6.591 1.390 1.00 0.00 C ATOM 370 CG PHE A 25 3.243 -7.689 1.617 1.00 0.00 C ATOM 371 CD1 PHE A 25 4.596 -7.465 1.422 1.00 0.00 C ATOM 372 CD2 PHE A 25 2.828 -8.947 2.026 1.00 0.00 C ATOM 373 CE1 PHE A 25 5.518 -8.473 1.631 1.00 0.00 C ATOM 374 CE2 PHE A 25 3.746 -9.959 2.237 1.00 0.00 C ATOM 375 CZ PHE A 25 5.092 -9.722 2.038 1.00 0.00 C ATOM 0 H PHE A 25 0.600 -4.730 1.494 1.00 0.00 H new ATOM 0 HA PHE A 25 2.388 -5.887 3.416 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.240 -7.013 1.417 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.390 -6.179 0.391 1.00 0.00 H new ATOM 0 HD1 PHE A 25 4.935 -6.490 1.103 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.777 -9.138 2.181 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.570 -8.284 1.476 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.411 -10.934 2.557 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.810 -10.512 2.200 1.00 0.00 H new ATOM 385 N PHE A 26 3.471 -3.576 1.389 1.00 0.00 N ATOM 386 CA PHE A 26 4.603 -2.711 1.077 1.00 0.00 C ATOM 387 C PHE A 26 4.989 -1.864 2.285 1.00 0.00 C ATOM 388 O PHE A 26 6.161 -1.792 2.657 1.00 0.00 O ATOM 389 CB PHE A 26 4.267 -1.805 -0.110 1.00 0.00 C ATOM 390 CG PHE A 26 5.363 -0.837 -0.453 1.00 0.00 C ATOM 391 CD1 PHE A 26 5.529 0.329 0.277 1.00 0.00 C ATOM 392 CD2 PHE A 26 6.228 -1.093 -1.505 1.00 0.00 C ATOM 393 CE1 PHE A 26 6.536 1.222 -0.037 1.00 0.00 C ATOM 394 CE2 PHE A 26 7.237 -0.204 -1.824 1.00 0.00 C ATOM 395 CZ PHE A 26 7.392 0.955 -1.088 1.00 0.00 C ATOM 0 H PHE A 26 2.591 -3.291 0.959 1.00 0.00 H new ATOM 0 HA PHE A 26 5.451 -3.344 0.814 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.054 -2.425 -0.981 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.358 -1.248 0.114 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.864 0.542 1.101 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.112 -1.998 -2.083 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.654 2.128 0.539 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.903 -0.415 -2.647 1.00 0.00 H new ATOM 0 HZ PHE A 26 8.181 1.651 -1.334 1.00 0.00 H new ATOM 405 N ASP A 27 3.997 -1.223 2.893 1.00 0.00 N ATOM 406 CA ASP A 27 4.232 -0.380 4.060 1.00 0.00 C ATOM 407 C ASP A 27 4.995 -1.144 5.137 1.00 0.00 C ATOM 408 O ASP A 27 5.782 -0.564 5.884 1.00 0.00 O ATOM 409 CB ASP A 27 2.904 0.130 4.623 1.00 0.00 C ATOM 410 CG ASP A 27 3.097 1.098 5.773 1.00 0.00 C ATOM 411 OD1 ASP A 27 3.982 1.974 5.669 1.00 0.00 O ATOM 412 OD2 ASP A 27 2.363 0.981 6.776 1.00 0.00 O ATOM 0 H ASP A 27 3.022 -1.271 2.597 1.00 0.00 H new ATOM 0 HA ASP A 27 4.836 0.472 3.747 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.341 0.621 3.829 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.307 -0.717 4.961 1.00 0.00 H new ATOM 417 N ALA A 28 4.756 -2.449 5.212 1.00 0.00 N ATOM 418 CA ALA A 28 5.422 -3.293 6.197 1.00 0.00 C ATOM 419 C ALA A 28 6.701 -3.898 5.627 1.00 0.00 C ATOM 420 O ALA A 28 7.720 -3.976 6.312 1.00 0.00 O ATOM 421 CB ALA A 28 4.482 -4.391 6.672 1.00 0.00 C ATOM 0 H ALA A 28 4.106 -2.945 4.602 1.00 0.00 H new ATOM 0 HA ALA A 28 5.695 -2.670 7.049 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.992 -5.014 7.407 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.599 -3.942 7.127 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.181 -5.005 5.823 1.00 0.00 H new ATOM 427 N ASN A 29 6.639 -4.324 4.370 1.00 0.00 N ATOM 428 CA ASN A 29 7.793 -4.923 3.709 1.00 0.00 C ATOM 429 C ASN A 29 7.769 -4.640 2.210 1.00 0.00 C ATOM 430 O ASN A 29 6.782 -4.920 1.531 1.00 0.00 O ATOM 431 CB ASN A 29 7.820 -6.434 3.953 1.00 0.00 C ATOM 432 CG ASN A 29 9.130 -7.066 3.524 1.00 0.00 C ATOM 433 OD1 ASN A 29 9.042 -8.189 2.822 1.00 0.00 O flip ATOM 434 ND2 ASN A 29 10.207 -6.549 3.821 1.00 0.00 N flip ATOM 0 H ASN A 29 5.803 -4.266 3.789 1.00 0.00 H new ATOM 0 HA ASN A 29 8.694 -4.477 4.131 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.654 -6.631 5.012 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.999 -6.902 3.410 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.226 -5.685 4.362 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.081 -6.985 3.526 1.00 0.00 H new ATOM 441 N ALA A 30 8.863 -4.084 1.701 1.00 0.00 N ATOM 442 CA ALA A 30 8.969 -3.765 0.283 1.00 0.00 C ATOM 443 C ALA A 30 10.143 -4.497 -0.359 1.00 0.00 C ATOM 444 O ALA A 30 10.520 -4.211 -1.495 1.00 0.00 O ATOM 445 CB ALA A 30 9.113 -2.262 0.089 1.00 0.00 C ATOM 0 H ALA A 30 9.689 -3.845 2.250 1.00 0.00 H new ATOM 0 HA ALA A 30 8.054 -4.098 -0.208 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.191 -2.038 -0.975 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.241 -1.756 0.503 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.011 -1.914 0.600 1.00 0.00 H new ATOM 451 N TYR A 31 10.717 -5.443 0.377 1.00 0.00 N ATOM 452 CA TYR A 31 11.850 -6.215 -0.119 1.00 0.00 C ATOM 453 C TYR A 31 11.661 -7.702 0.162 1.00 0.00 C ATOM 454 O TYR A 31 12.589 -8.408 0.560 1.00 0.00 O ATOM 455 CB TYR A 31 13.148 -5.723 0.522 1.00 0.00 C ATOM 456 CG TYR A 31 13.420 -4.254 0.292 1.00 0.00 C ATOM 457 CD1 TYR A 31 14.121 -3.824 -0.828 1.00 0.00 C ATOM 458 CD2 TYR A 31 12.976 -3.295 1.194 1.00 0.00 C ATOM 459 CE1 TYR A 31 14.372 -2.483 -1.042 1.00 0.00 C ATOM 460 CE2 TYR A 31 13.221 -1.952 0.987 1.00 0.00 C ATOM 461 CZ TYR A 31 13.919 -1.550 -0.132 1.00 0.00 C ATOM 462 OH TYR A 31 14.166 -0.213 -0.341 1.00 0.00 O ATOM 0 H TYR A 31 10.416 -5.693 1.319 1.00 0.00 H new ATOM 0 HA TYR A 31 11.910 -6.073 -1.198 1.00 0.00 H new ATOM 0 HB2 TYR A 31 13.108 -5.912 1.595 1.00 0.00 H new ATOM 0 HB3 TYR A 31 13.981 -6.304 0.127 1.00 0.00 H new ATOM 0 HD1 TYR A 31 14.476 -4.551 -1.544 1.00 0.00 H new ATOM 0 HD2 TYR A 31 12.430 -3.605 2.072 1.00 0.00 H new ATOM 0 HE1 TYR A 31 14.920 -2.166 -1.917 1.00 0.00 H new ATOM 0 HE2 TYR A 31 12.868 -1.220 1.698 1.00 0.00 H new ATOM 0 HH TYR A 31 13.779 0.310 0.392 1.00 0.00 H new ATOM 472 N PRO A 32 10.430 -8.192 -0.049 1.00 0.00 N ATOM 473 CA PRO A 32 10.089 -9.600 0.174 1.00 0.00 C ATOM 474 C PRO A 32 10.739 -10.523 -0.851 1.00 0.00 C ATOM 475 O PRO A 32 11.076 -10.100 -1.958 1.00 0.00 O ATOM 476 CB PRO A 32 8.566 -9.624 0.026 1.00 0.00 C ATOM 477 CG PRO A 32 8.252 -8.459 -0.848 1.00 0.00 C ATOM 478 CD PRO A 32 9.277 -7.408 -0.522 1.00 0.00 C ATOM 0 HA PRO A 32 10.442 -9.957 1.142 1.00 0.00 H new ATOM 0 HB2 PRO A 32 8.226 -10.558 -0.422 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.073 -9.537 0.994 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.300 -8.737 -1.901 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.243 -8.091 -0.661 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.530 -6.809 -1.396 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.918 -6.720 0.243 1.00 0.00 H new ATOM 486 N LYS A 33 10.912 -11.786 -0.477 1.00 0.00 N ATOM 487 CA LYS A 33 11.520 -12.771 -1.365 1.00 0.00 C ATOM 488 C LYS A 33 10.453 -13.524 -2.153 1.00 0.00 C ATOM 489 O LYS A 33 9.261 -13.415 -1.864 1.00 0.00 O ATOM 490 CB LYS A 33 12.367 -13.759 -0.560 1.00 0.00 C ATOM 491 CG LYS A 33 13.402 -13.090 0.329 1.00 0.00 C ATOM 492 CD LYS A 33 14.513 -14.053 0.713 1.00 0.00 C ATOM 493 CE LYS A 33 15.098 -13.714 2.075 1.00 0.00 C ATOM 494 NZ LYS A 33 14.385 -14.419 3.176 1.00 0.00 N ATOM 0 H LYS A 33 10.640 -12.152 0.435 1.00 0.00 H new ATOM 0 HA LYS A 33 12.162 -12.242 -2.070 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.709 -14.369 0.059 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.874 -14.435 -1.248 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.827 -12.231 -0.189 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.919 -12.712 1.230 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.125 -15.071 0.726 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.300 -14.021 -0.040 1.00 0.00 H new ATOM 0 HE2 LYS A 33 16.154 -13.985 2.094 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.042 -12.638 2.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.814 -14.162 4.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.383 -14.142 3.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.460 -15.447 3.036 1.00 0.00 H new ATOM 508 N ASP A 34 10.889 -14.288 -3.148 1.00 0.00 N ATOM 509 CA ASP A 34 9.971 -15.062 -3.977 1.00 0.00 C ATOM 510 C ASP A 34 8.897 -15.727 -3.122 1.00 0.00 C ATOM 511 O ASP A 34 7.702 -15.546 -3.358 1.00 0.00 O ATOM 512 CB ASP A 34 10.737 -16.121 -4.772 1.00 0.00 C ATOM 513 CG ASP A 34 11.258 -15.589 -6.093 1.00 0.00 C ATOM 514 OD1 ASP A 34 10.453 -15.022 -6.862 1.00 0.00 O ATOM 515 OD2 ASP A 34 12.469 -15.741 -6.358 1.00 0.00 O ATOM 0 H ASP A 34 11.872 -14.388 -3.401 1.00 0.00 H new ATOM 0 HA ASP A 34 9.484 -14.379 -4.673 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.573 -16.485 -4.175 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.084 -16.974 -4.959 1.00 0.00 H new ATOM 520 N ASP A 35 9.331 -16.498 -2.131 1.00 0.00 N ATOM 521 CA ASP A 35 8.407 -17.191 -1.241 1.00 0.00 C ATOM 522 C ASP A 35 7.288 -16.259 -0.787 1.00 0.00 C ATOM 523 O ASP A 35 6.111 -16.614 -0.842 1.00 0.00 O ATOM 524 CB ASP A 35 9.153 -17.743 -0.026 1.00 0.00 C ATOM 525 CG ASP A 35 8.489 -18.980 0.548 1.00 0.00 C ATOM 526 OD1 ASP A 35 7.812 -19.699 -0.216 1.00 0.00 O ATOM 527 OD2 ASP A 35 8.648 -19.228 1.762 1.00 0.00 O ATOM 0 H ASP A 35 10.317 -16.659 -1.924 1.00 0.00 H new ATOM 0 HA ASP A 35 7.963 -18.020 -1.792 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.178 -17.983 -0.310 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.208 -16.973 0.744 1.00 0.00 H new ATOM 532 N GLU A 36 7.665 -15.066 -0.336 1.00 0.00 N ATOM 533 CA GLU A 36 6.693 -14.084 0.130 1.00 0.00 C ATOM 534 C GLU A 36 5.785 -13.633 -1.011 1.00 0.00 C ATOM 535 O GLU A 36 4.560 -13.697 -0.908 1.00 0.00 O ATOM 536 CB GLU A 36 7.407 -12.875 0.737 1.00 0.00 C ATOM 537 CG GLU A 36 8.144 -13.188 2.028 1.00 0.00 C ATOM 538 CD GLU A 36 7.349 -14.092 2.949 1.00 0.00 C ATOM 539 OE1 GLU A 36 6.408 -13.593 3.602 1.00 0.00 O ATOM 540 OE2 GLU A 36 7.666 -15.298 3.018 1.00 0.00 O ATOM 0 H GLU A 36 8.636 -14.757 -0.284 1.00 0.00 H new ATOM 0 HA GLU A 36 6.077 -14.555 0.896 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.117 -12.480 0.010 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.676 -12.090 0.927 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.096 -13.663 1.792 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.372 -12.257 2.547 1.00 0.00 H new ATOM 547 N PHE A 37 6.396 -13.176 -2.100 1.00 0.00 N ATOM 548 CA PHE A 37 5.644 -12.713 -3.260 1.00 0.00 C ATOM 549 C PHE A 37 4.552 -13.710 -3.635 1.00 0.00 C ATOM 550 O PHE A 37 3.468 -13.323 -4.071 1.00 0.00 O ATOM 551 CB PHE A 37 6.583 -12.497 -4.449 1.00 0.00 C ATOM 552 CG PHE A 37 7.138 -11.104 -4.530 1.00 0.00 C ATOM 553 CD1 PHE A 37 6.433 -10.098 -5.171 1.00 0.00 C ATOM 554 CD2 PHE A 37 8.366 -10.799 -3.964 1.00 0.00 C ATOM 555 CE1 PHE A 37 6.942 -8.816 -5.247 1.00 0.00 C ATOM 556 CE2 PHE A 37 8.880 -9.518 -4.036 1.00 0.00 C ATOM 557 CZ PHE A 37 8.166 -8.525 -4.678 1.00 0.00 C ATOM 0 H PHE A 37 7.409 -13.117 -2.203 1.00 0.00 H new ATOM 0 HA PHE A 37 5.172 -11.765 -3.001 1.00 0.00 H new ATOM 0 HB2 PHE A 37 7.409 -13.205 -4.383 1.00 0.00 H new ATOM 0 HB3 PHE A 37 6.046 -12.720 -5.371 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.474 -10.319 -5.616 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.928 -11.572 -3.461 1.00 0.00 H new ATOM 0 HE1 PHE A 37 6.383 -8.042 -5.751 1.00 0.00 H new ATOM 0 HE2 PHE A 37 9.838 -9.294 -3.591 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.564 -7.523 -4.735 1.00 0.00 H new ATOM 567 N GLU A 38 4.847 -14.994 -3.461 1.00 0.00 N ATOM 568 CA GLU A 38 3.890 -16.047 -3.782 1.00 0.00 C ATOM 569 C GLU A 38 2.610 -15.885 -2.968 1.00 0.00 C ATOM 570 O GLU A 38 1.510 -16.120 -3.468 1.00 0.00 O ATOM 571 CB GLU A 38 4.505 -17.423 -3.519 1.00 0.00 C ATOM 572 CG GLU A 38 5.595 -17.802 -4.508 1.00 0.00 C ATOM 573 CD GLU A 38 5.847 -19.296 -4.554 1.00 0.00 C ATOM 574 OE1 GLU A 38 4.861 -20.063 -4.575 1.00 0.00 O ATOM 575 OE2 GLU A 38 7.029 -19.699 -4.569 1.00 0.00 O ATOM 0 H GLU A 38 5.740 -15.330 -3.100 1.00 0.00 H new ATOM 0 HA GLU A 38 3.640 -15.966 -4.840 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.919 -17.440 -2.511 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.718 -18.176 -3.553 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.315 -17.454 -5.502 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.519 -17.290 -4.239 1.00 0.00 H new ATOM 582 N GLN A 39 2.762 -15.484 -1.710 1.00 0.00 N ATOM 583 CA GLN A 39 1.619 -15.293 -0.826 1.00 0.00 C ATOM 584 C GLN A 39 0.676 -14.229 -1.378 1.00 0.00 C ATOM 585 O GLN A 39 -0.535 -14.441 -1.463 1.00 0.00 O ATOM 586 CB GLN A 39 2.091 -14.896 0.574 1.00 0.00 C ATOM 587 CG GLN A 39 3.043 -15.901 1.203 1.00 0.00 C ATOM 588 CD GLN A 39 2.321 -17.094 1.799 1.00 0.00 C ATOM 589 OE1 GLN A 39 1.112 -17.053 2.024 1.00 0.00 O ATOM 590 NE2 GLN A 39 3.062 -18.165 2.057 1.00 0.00 N ATOM 0 H GLN A 39 3.665 -15.285 -1.280 1.00 0.00 H new ATOM 0 HA GLN A 39 1.077 -16.237 -0.765 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.584 -13.925 0.520 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.222 -14.777 1.221 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.749 -16.248 0.449 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.625 -15.407 1.981 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.062 -18.154 1.854 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.632 -18.998 2.458 1.00 0.00 H new ATOM 599 N LEU A 40 1.237 -13.084 -1.751 1.00 0.00 N ATOM 600 CA LEU A 40 0.446 -11.986 -2.295 1.00 0.00 C ATOM 601 C LEU A 40 -0.257 -12.406 -3.582 1.00 0.00 C ATOM 602 O LEU A 40 -1.440 -12.128 -3.774 1.00 0.00 O ATOM 603 CB LEU A 40 1.338 -10.772 -2.561 1.00 0.00 C ATOM 604 CG LEU A 40 1.844 -10.027 -1.325 1.00 0.00 C ATOM 605 CD1 LEU A 40 3.130 -9.279 -1.642 1.00 0.00 C ATOM 606 CD2 LEU A 40 0.781 -9.070 -0.806 1.00 0.00 C ATOM 0 H LEU A 40 2.237 -12.892 -1.687 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.312 -11.718 -1.559 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.200 -11.100 -3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.784 -10.069 -3.183 1.00 0.00 H new ATOM 0 HG LEU A 40 2.056 -10.758 -0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.475 -8.755 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.893 -9.987 -1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.945 -8.558 -2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.159 -8.549 0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.536 -8.344 -1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.114 -9.631 -0.538 1.00 0.00 H new ATOM 618 N SER A 41 0.480 -13.079 -4.460 1.00 0.00 N ATOM 619 CA SER A 41 -0.072 -13.536 -5.730 1.00 0.00 C ATOM 620 C SER A 41 -1.177 -14.563 -5.503 1.00 0.00 C ATOM 621 O SER A 41 -2.224 -14.517 -6.148 1.00 0.00 O ATOM 622 CB SER A 41 1.031 -14.142 -6.601 1.00 0.00 C ATOM 623 OG SER A 41 2.057 -14.707 -5.804 1.00 0.00 O ATOM 0 H SER A 41 1.461 -13.320 -4.315 1.00 0.00 H new ATOM 0 HA SER A 41 -0.499 -12.675 -6.244 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.607 -14.908 -7.250 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.451 -13.373 -7.249 1.00 0.00 H new ATOM 0 HG SER A 41 2.686 -14.005 -5.535 1.00 0.00 H new ATOM 629 N ASN A 42 -0.936 -15.490 -4.581 1.00 0.00 N ATOM 630 CA ASN A 42 -1.910 -16.529 -4.268 1.00 0.00 C ATOM 631 C ASN A 42 -3.175 -15.925 -3.666 1.00 0.00 C ATOM 632 O ASN A 42 -4.273 -16.456 -3.840 1.00 0.00 O ATOM 633 CB ASN A 42 -1.307 -17.548 -3.299 1.00 0.00 C ATOM 634 CG ASN A 42 -0.555 -18.652 -4.016 1.00 0.00 C ATOM 635 OD1 ASN A 42 -1.155 -19.497 -4.681 1.00 0.00 O ATOM 636 ND2 ASN A 42 0.767 -18.650 -3.884 1.00 0.00 N ATOM 0 H ASN A 42 -0.074 -15.543 -4.038 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.176 -17.034 -5.197 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.631 -17.037 -2.613 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.102 -17.986 -2.695 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.327 -19.368 -4.344 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.222 -17.930 -3.323 1.00 0.00 H new ATOM 643 N LEU A 43 -3.014 -14.812 -2.959 1.00 0.00 N ATOM 644 CA LEU A 43 -4.143 -14.135 -2.331 1.00 0.00 C ATOM 645 C LEU A 43 -4.935 -13.331 -3.357 1.00 0.00 C ATOM 646 O LEU A 43 -6.136 -13.539 -3.532 1.00 0.00 O ATOM 647 CB LEU A 43 -3.653 -13.213 -1.212 1.00 0.00 C ATOM 648 CG LEU A 43 -4.643 -12.151 -0.735 1.00 0.00 C ATOM 649 CD1 LEU A 43 -5.899 -12.804 -0.178 1.00 0.00 C ATOM 650 CD2 LEU A 43 -3.999 -11.252 0.310 1.00 0.00 C ATOM 0 H LEU A 43 -2.113 -14.359 -2.806 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.799 -14.895 -1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.373 -13.829 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.748 -12.710 -1.553 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.926 -11.536 -1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.592 -12.032 0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.372 -13.405 -0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.634 -13.444 0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.719 -10.502 0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.686 -11.853 1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.130 -10.756 -0.122 1.00 0.00 H new ATOM 662 N LEU A 44 -4.254 -12.413 -4.035 1.00 0.00 N ATOM 663 CA LEU A 44 -4.893 -11.579 -5.047 1.00 0.00 C ATOM 664 C LEU A 44 -5.068 -12.345 -6.354 1.00 0.00 C ATOM 665 O LEU A 44 -5.707 -11.863 -7.287 1.00 0.00 O ATOM 666 CB LEU A 44 -4.067 -10.315 -5.290 1.00 0.00 C ATOM 667 CG LEU A 44 -3.750 -9.473 -4.054 1.00 0.00 C ATOM 668 CD1 LEU A 44 -2.661 -8.457 -4.365 1.00 0.00 C ATOM 669 CD2 LEU A 44 -5.003 -8.775 -3.547 1.00 0.00 C ATOM 0 H LEU A 44 -3.260 -12.228 -3.902 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.879 -11.296 -4.679 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.127 -10.604 -5.759 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.600 -9.688 -6.005 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.386 -10.137 -3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.449 -7.867 -3.474 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.757 -8.978 -4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.997 -7.797 -5.165 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.758 -8.181 -2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.397 -8.123 -4.327 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.753 -9.520 -3.284 1.00 0.00 H new ATOM 681 N ASN A 45 -4.496 -13.544 -6.412 1.00 0.00 N ATOM 682 CA ASN A 45 -4.590 -14.378 -7.604 1.00 0.00 C ATOM 683 C ASN A 45 -3.932 -13.695 -8.799 1.00 0.00 C ATOM 684 O ASN A 45 -4.393 -13.826 -9.934 1.00 0.00 O ATOM 685 CB ASN A 45 -6.054 -14.688 -7.922 1.00 0.00 C ATOM 686 CG ASN A 45 -6.664 -15.669 -6.939 1.00 0.00 C ATOM 687 OD1 ASN A 45 -7.599 -15.335 -6.211 1.00 0.00 O ATOM 688 ND2 ASN A 45 -6.135 -16.887 -6.913 1.00 0.00 N ATOM 0 H ASN A 45 -3.963 -13.959 -5.648 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.063 -15.311 -7.406 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.629 -13.762 -7.911 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.125 -15.096 -8.930 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.503 -17.589 -6.271 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.361 -17.120 -7.535 1.00 0.00 H new ATOM 695 N LEU A 46 -2.853 -12.966 -8.537 1.00 0.00 N ATOM 696 CA LEU A 46 -2.130 -12.262 -9.591 1.00 0.00 C ATOM 697 C LEU A 46 -0.709 -12.799 -9.728 1.00 0.00 C ATOM 698 O LEU A 46 -0.120 -13.316 -8.779 1.00 0.00 O ATOM 699 CB LEU A 46 -2.095 -10.762 -9.297 1.00 0.00 C ATOM 700 CG LEU A 46 -3.451 -10.058 -9.237 1.00 0.00 C ATOM 701 CD1 LEU A 46 -3.285 -8.617 -8.778 1.00 0.00 C ATOM 702 CD2 LEU A 46 -4.141 -10.111 -10.593 1.00 0.00 C ATOM 0 H LEU A 46 -2.459 -12.847 -7.604 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.654 -12.429 -10.532 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.587 -10.611 -8.345 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.489 -10.276 -10.062 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.077 -10.579 -8.513 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.261 -8.132 -8.741 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.834 -8.601 -7.786 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.641 -8.084 -9.478 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.104 -9.605 -10.531 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.518 -9.615 -11.338 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.295 -11.151 -10.882 1.00 0.00 H new ATOM 714 N PRO A 47 -0.143 -12.672 -10.938 1.00 0.00 N ATOM 715 CA PRO A 47 1.217 -13.135 -11.227 1.00 0.00 C ATOM 716 C PRO A 47 2.279 -12.288 -10.533 1.00 0.00 C ATOM 717 O PRO A 47 2.237 -11.058 -10.583 1.00 0.00 O ATOM 718 CB PRO A 47 1.326 -12.989 -12.747 1.00 0.00 C ATOM 719 CG PRO A 47 0.344 -11.924 -13.096 1.00 0.00 C ATOM 720 CD PRO A 47 -0.787 -12.066 -12.115 1.00 0.00 C ATOM 0 HA PRO A 47 1.386 -14.151 -10.869 1.00 0.00 H new ATOM 0 HB2 PRO A 47 2.336 -12.710 -13.047 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.091 -13.926 -13.253 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.799 -10.936 -13.027 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.011 -12.041 -14.120 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.235 -11.102 -11.876 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.583 -12.699 -12.508 1.00 0.00 H new ATOM 728 N THR A 48 3.230 -12.954 -9.886 1.00 0.00 N ATOM 729 CA THR A 48 4.302 -12.262 -9.181 1.00 0.00 C ATOM 730 C THR A 48 4.906 -11.160 -10.044 1.00 0.00 C ATOM 731 O THR A 48 5.296 -10.107 -9.539 1.00 0.00 O ATOM 732 CB THR A 48 5.417 -13.237 -8.759 1.00 0.00 C ATOM 733 OG1 THR A 48 5.663 -14.183 -9.806 1.00 0.00 O ATOM 734 CG2 THR A 48 5.038 -13.973 -7.483 1.00 0.00 C ATOM 0 H THR A 48 3.280 -13.972 -9.836 1.00 0.00 H new ATOM 0 HA THR A 48 3.859 -11.819 -8.289 1.00 0.00 H new ATOM 0 HB THR A 48 6.322 -12.660 -8.571 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.374 -14.798 -9.531 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.841 -14.656 -7.205 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.880 -13.252 -6.681 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.121 -14.539 -7.648 1.00 0.00 H new ATOM 742 N ARG A 49 4.979 -11.409 -11.348 1.00 0.00 N ATOM 743 CA ARG A 49 5.536 -10.437 -12.281 1.00 0.00 C ATOM 744 C ARG A 49 4.794 -9.107 -12.188 1.00 0.00 C ATOM 745 O ARG A 49 5.389 -8.040 -12.340 1.00 0.00 O ATOM 746 CB ARG A 49 5.466 -10.974 -13.712 1.00 0.00 C ATOM 747 CG ARG A 49 4.139 -10.701 -14.400 1.00 0.00 C ATOM 748 CD ARG A 49 4.158 -9.374 -15.142 1.00 0.00 C ATOM 749 NE ARG A 49 4.738 -9.502 -16.476 1.00 0.00 N ATOM 750 CZ ARG A 49 4.048 -9.888 -17.544 1.00 0.00 C ATOM 751 NH1 ARG A 49 2.760 -10.183 -17.434 1.00 0.00 N ATOM 752 NH2 ARG A 49 4.647 -9.979 -18.724 1.00 0.00 N ATOM 0 H ARG A 49 4.660 -12.275 -11.782 1.00 0.00 H new ATOM 0 HA ARG A 49 6.579 -10.270 -12.013 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.269 -10.527 -14.299 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.643 -12.049 -13.697 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.918 -11.507 -15.100 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.339 -10.694 -13.660 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.141 -8.990 -15.224 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.729 -8.645 -14.567 1.00 0.00 H new ATOM 0 HE ARG A 49 5.727 -9.283 -16.595 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.297 -10.114 -16.528 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.233 -10.479 -18.255 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.638 -9.753 -18.812 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.117 -10.275 -19.544 1.00 0.00 H new ATOM 766 N VAL A 50 3.491 -9.179 -11.938 1.00 0.00 N ATOM 767 CA VAL A 50 2.667 -7.981 -11.824 1.00 0.00 C ATOM 768 C VAL A 50 2.877 -7.295 -10.479 1.00 0.00 C ATOM 769 O VAL A 50 2.870 -6.067 -10.390 1.00 0.00 O ATOM 770 CB VAL A 50 1.171 -8.310 -11.992 1.00 0.00 C ATOM 771 CG1 VAL A 50 0.311 -7.173 -11.462 1.00 0.00 C ATOM 772 CG2 VAL A 50 0.850 -8.599 -13.450 1.00 0.00 C ATOM 0 H VAL A 50 2.983 -10.054 -11.810 1.00 0.00 H new ATOM 0 HA VAL A 50 2.976 -7.308 -12.624 1.00 0.00 H new ATOM 0 HB VAL A 50 0.946 -9.204 -11.411 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.742 -7.424 -11.589 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.522 -7.020 -10.404 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.536 -6.260 -12.013 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.211 -8.829 -13.550 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.090 -7.725 -14.056 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.440 -9.450 -13.791 1.00 0.00 H new ATOM 782 N ILE A 51 3.064 -8.095 -9.435 1.00 0.00 N ATOM 783 CA ILE A 51 3.279 -7.565 -8.095 1.00 0.00 C ATOM 784 C ILE A 51 4.684 -6.992 -7.949 1.00 0.00 C ATOM 785 O ILE A 51 4.902 -6.036 -7.204 1.00 0.00 O ATOM 786 CB ILE A 51 3.063 -8.647 -7.020 1.00 0.00 C ATOM 787 CG1 ILE A 51 1.741 -9.378 -7.260 1.00 0.00 C ATOM 788 CG2 ILE A 51 3.087 -8.026 -5.631 1.00 0.00 C ATOM 789 CD1 ILE A 51 1.495 -10.515 -6.293 1.00 0.00 C ATOM 0 H ILE A 51 3.071 -9.113 -9.492 1.00 0.00 H new ATOM 0 HA ILE A 51 2.548 -6.769 -7.950 1.00 0.00 H new ATOM 0 HB ILE A 51 3.874 -9.372 -7.087 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.921 -8.664 -7.184 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.731 -9.769 -8.278 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.933 -8.803 -4.882 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.051 -7.547 -5.463 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.294 -7.283 -5.551 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.540 -10.988 -6.522 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.295 -11.250 -6.384 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.473 -10.128 -5.274 1.00 0.00 H new ATOM 801 N VAL A 52 5.635 -7.582 -8.666 1.00 0.00 N ATOM 802 CA VAL A 52 7.020 -7.129 -8.618 1.00 0.00 C ATOM 803 C VAL A 52 7.162 -5.731 -9.210 1.00 0.00 C ATOM 804 O VAL A 52 7.712 -4.830 -8.577 1.00 0.00 O ATOM 805 CB VAL A 52 7.952 -8.092 -9.377 1.00 0.00 C ATOM 806 CG1 VAL A 52 9.374 -7.551 -9.402 1.00 0.00 C ATOM 807 CG2 VAL A 52 7.910 -9.478 -8.751 1.00 0.00 C ATOM 0 H VAL A 52 5.472 -8.375 -9.287 1.00 0.00 H new ATOM 0 HA VAL A 52 7.309 -7.107 -7.567 1.00 0.00 H new ATOM 0 HB VAL A 52 7.602 -8.173 -10.406 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.018 -8.245 -9.942 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.386 -6.582 -9.901 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.738 -7.438 -8.381 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.574 -10.145 -9.300 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.234 -9.418 -7.712 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.892 -9.865 -8.792 1.00 0.00 H new ATOM 817 N VAL A 53 6.660 -5.556 -10.428 1.00 0.00 N ATOM 818 CA VAL A 53 6.729 -4.267 -11.106 1.00 0.00 C ATOM 819 C VAL A 53 6.120 -3.163 -10.248 1.00 0.00 C ATOM 820 O VAL A 53 6.629 -2.042 -10.209 1.00 0.00 O ATOM 821 CB VAL A 53 6.002 -4.307 -12.463 1.00 0.00 C ATOM 822 CG1 VAL A 53 6.074 -2.950 -13.148 1.00 0.00 C ATOM 823 CG2 VAL A 53 6.591 -5.393 -13.351 1.00 0.00 C ATOM 0 H VAL A 53 6.201 -6.291 -10.966 1.00 0.00 H new ATOM 0 HA VAL A 53 7.784 -4.053 -11.274 1.00 0.00 H new ATOM 0 HB VAL A 53 4.953 -4.543 -12.286 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.555 -2.998 -14.105 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.602 -2.198 -12.516 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.117 -2.681 -13.314 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.065 -5.407 -14.306 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.648 -5.190 -13.522 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.482 -6.361 -12.862 1.00 0.00 H new ATOM 833 N TRP A 54 5.030 -3.486 -9.563 1.00 0.00 N ATOM 834 CA TRP A 54 4.352 -2.521 -8.705 1.00 0.00 C ATOM 835 C TRP A 54 5.204 -2.183 -7.487 1.00 0.00 C ATOM 836 O TRP A 54 5.372 -1.013 -7.141 1.00 0.00 O ATOM 837 CB TRP A 54 2.996 -3.070 -8.258 1.00 0.00 C ATOM 838 CG TRP A 54 2.180 -2.079 -7.484 1.00 0.00 C ATOM 839 CD1 TRP A 54 1.154 -1.314 -7.959 1.00 0.00 C ATOM 840 CD2 TRP A 54 2.324 -1.746 -6.099 1.00 0.00 C ATOM 841 NE1 TRP A 54 0.651 -0.525 -6.952 1.00 0.00 N ATOM 842 CE2 TRP A 54 1.351 -0.772 -5.801 1.00 0.00 C ATOM 843 CE3 TRP A 54 3.179 -2.178 -5.081 1.00 0.00 C ATOM 844 CZ2 TRP A 54 1.213 -0.223 -4.529 1.00 0.00 C ATOM 845 CZ3 TRP A 54 3.040 -1.632 -3.819 1.00 0.00 C ATOM 846 CH2 TRP A 54 2.063 -0.664 -3.552 1.00 0.00 C ATOM 0 H TRP A 54 4.596 -4.409 -9.585 1.00 0.00 H new ATOM 0 HA TRP A 54 4.195 -1.608 -9.280 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.433 -3.387 -9.136 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.155 -3.957 -7.645 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.791 -1.327 -8.976 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.119 0.137 -7.047 1.00 0.00 H new ATOM 0 HE3 TRP A 54 3.934 -2.925 -5.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.462 0.524 -4.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.696 -1.957 -3.025 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.979 -0.258 -2.555 1.00 0.00 H new ATOM 857 N PHE A 55 5.740 -3.212 -6.841 1.00 0.00 N ATOM 858 CA PHE A 55 6.575 -3.023 -5.660 1.00 0.00 C ATOM 859 C PHE A 55 7.847 -2.256 -6.011 1.00 0.00 C ATOM 860 O PHE A 55 8.287 -1.389 -5.257 1.00 0.00 O ATOM 861 CB PHE A 55 6.935 -4.376 -5.042 1.00 0.00 C ATOM 862 CG PHE A 55 5.954 -4.841 -4.005 1.00 0.00 C ATOM 863 CD1 PHE A 55 4.636 -5.099 -4.345 1.00 0.00 C ATOM 864 CD2 PHE A 55 6.350 -5.020 -2.689 1.00 0.00 C ATOM 865 CE1 PHE A 55 3.731 -5.528 -3.393 1.00 0.00 C ATOM 866 CE2 PHE A 55 5.449 -5.450 -1.733 1.00 0.00 C ATOM 867 CZ PHE A 55 4.138 -5.703 -2.085 1.00 0.00 C ATOM 0 H PHE A 55 5.611 -4.186 -7.115 1.00 0.00 H new ATOM 0 HA PHE A 55 6.009 -2.440 -4.934 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.996 -5.123 -5.833 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.925 -4.308 -4.590 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.312 -4.963 -5.366 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.374 -4.821 -2.407 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.707 -5.726 -3.672 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.770 -5.588 -0.711 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.432 -6.037 -1.339 1.00 0.00 H new ATOM 877 N GLN A 56 8.430 -2.583 -7.159 1.00 0.00 N ATOM 878 CA GLN A 56 9.652 -1.927 -7.609 1.00 0.00 C ATOM 879 C GLN A 56 9.454 -0.417 -7.706 1.00 0.00 C ATOM 880 O GLN A 56 10.207 0.356 -7.115 1.00 0.00 O ATOM 881 CB GLN A 56 10.086 -2.484 -8.966 1.00 0.00 C ATOM 882 CG GLN A 56 10.861 -3.789 -8.867 1.00 0.00 C ATOM 883 CD GLN A 56 11.855 -3.963 -9.998 1.00 0.00 C ATOM 884 OE1 GLN A 56 13.067 -3.957 -9.780 1.00 0.00 O ATOM 885 NE2 GLN A 56 11.347 -4.120 -11.215 1.00 0.00 N ATOM 0 H GLN A 56 8.076 -3.298 -7.795 1.00 0.00 H new ATOM 0 HA GLN A 56 10.433 -2.127 -6.876 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.202 -2.642 -9.584 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.702 -1.742 -9.474 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.390 -3.822 -7.915 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.161 -4.624 -8.872 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.336 -4.119 -11.350 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.968 -4.242 -12.015 1.00 0.00 H new ATOM 894 N ASN A 57 8.437 -0.006 -8.456 1.00 0.00 N ATOM 895 CA ASN A 57 8.141 1.412 -8.631 1.00 0.00 C ATOM 896 C ASN A 57 7.823 2.070 -7.292 1.00 0.00 C ATOM 897 O ASN A 57 8.396 3.102 -6.945 1.00 0.00 O ATOM 898 CB ASN A 57 6.966 1.593 -9.594 1.00 0.00 C ATOM 899 CG ASN A 57 7.367 1.384 -11.041 1.00 0.00 C ATOM 900 OD1 ASN A 57 7.381 2.325 -11.836 1.00 0.00 O ATOM 901 ND2 ASN A 57 7.695 0.146 -11.391 1.00 0.00 N ATOM 0 H ASN A 57 7.804 -0.634 -8.952 1.00 0.00 H new ATOM 0 HA ASN A 57 9.024 1.894 -9.051 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.175 0.890 -9.334 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.553 2.595 -9.475 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.973 -0.056 -12.351 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.669 -0.603 -10.699 1.00 0.00 H new ATOM 908 N ALA A 58 6.904 1.466 -6.545 1.00 0.00 N ATOM 909 CA ALA A 58 6.511 1.992 -5.244 1.00 0.00 C ATOM 910 C ALA A 58 7.733 2.384 -4.419 1.00 0.00 C ATOM 911 O ALA A 58 7.697 3.354 -3.662 1.00 0.00 O ATOM 912 CB ALA A 58 5.671 0.970 -4.493 1.00 0.00 C ATOM 0 H ALA A 58 6.418 0.612 -6.819 1.00 0.00 H new ATOM 0 HA ALA A 58 5.912 2.888 -5.408 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.385 1.377 -3.523 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.775 0.741 -5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.251 0.059 -4.348 1.00 0.00 H new ATOM 918 N ARG A 59 8.812 1.623 -4.569 1.00 0.00 N ATOM 919 CA ARG A 59 10.043 1.890 -3.836 1.00 0.00 C ATOM 920 C ARG A 59 10.754 3.118 -4.396 1.00 0.00 C ATOM 921 O ARG A 59 11.234 3.966 -3.644 1.00 0.00 O ATOM 922 CB ARG A 59 10.973 0.677 -3.899 1.00 0.00 C ATOM 923 CG ARG A 59 10.496 -0.500 -3.064 1.00 0.00 C ATOM 924 CD ARG A 59 11.606 -1.516 -2.848 1.00 0.00 C ATOM 925 NE ARG A 59 11.737 -2.433 -3.977 1.00 0.00 N ATOM 926 CZ ARG A 59 12.440 -2.157 -5.070 1.00 0.00 C ATOM 927 NH1 ARG A 59 13.072 -0.996 -5.180 1.00 0.00 N ATOM 928 NH2 ARG A 59 12.512 -3.042 -6.055 1.00 0.00 N ATOM 0 H ARG A 59 8.858 0.816 -5.192 1.00 0.00 H new ATOM 0 HA ARG A 59 9.781 2.085 -2.796 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.072 0.359 -4.937 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.966 0.973 -3.561 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.137 -0.141 -2.099 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.653 -0.981 -3.559 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.550 -0.994 -2.694 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.405 -2.085 -1.940 1.00 0.00 H new ATOM 0 HE ARG A 59 11.263 -3.335 -3.923 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.019 -0.313 -4.424 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.611 -0.786 -6.020 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.027 -3.936 -5.974 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.052 -2.829 -6.894 1.00 0.00 H new