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= -0.9 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -3.64! C(o=-3.6!,f=-4.5!) USER MOD Single : A 23 GLN : amide:sc= -2.23 X(o=-2.2,f=-2) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.601 F(o=-1.4,f=-0.6) USER MOD Single : A 31 TYR OH : rot 180:sc= -0.0178 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot -51:sc= 0.485 USER MOD Single : A 42 ASN : amide:sc= 0.372 X(o=0.37,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.0397 X(o=-0.04,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.191 K(o=-0.19,f=-2.4!) USER MOD Single : A 57 ASN : amide:sc= 1.18 K(o=1.2,f=-0.022) USER MOD ----------------------------------------------------------------- ATOM 174 N PHE A 14 -5.302 -2.205 -10.834 1.00 0.00 N ATOM 175 CA PHE A 14 -5.737 -3.051 -9.729 1.00 0.00 C ATOM 176 C PHE A 14 -6.980 -2.474 -9.059 1.00 0.00 C ATOM 177 O PHE A 14 -7.317 -1.305 -9.249 1.00 0.00 O ATOM 178 CB PHE A 14 -4.613 -3.201 -8.702 1.00 0.00 C ATOM 179 CG PHE A 14 -3.309 -3.645 -9.300 1.00 0.00 C ATOM 180 CD1 PHE A 14 -2.500 -2.745 -9.975 1.00 0.00 C ATOM 181 CD2 PHE A 14 -2.893 -4.962 -9.189 1.00 0.00 C ATOM 182 CE1 PHE A 14 -1.299 -3.150 -10.527 1.00 0.00 C ATOM 183 CE2 PHE A 14 -1.693 -5.372 -9.738 1.00 0.00 C ATOM 184 CZ PHE A 14 -0.895 -4.465 -10.409 1.00 0.00 C ATOM 0 HA PHE A 14 -5.986 -4.033 -10.131 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.465 -2.247 -8.196 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.919 -3.921 -7.943 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.811 -1.715 -10.071 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.513 -5.676 -8.668 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.677 -2.438 -11.050 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.379 -6.401 -9.643 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.042 -4.784 -10.840 1.00 0.00 H new ATOM 194 N THR A 15 -7.660 -3.303 -8.273 1.00 0.00 N ATOM 195 CA THR A 15 -8.867 -2.877 -7.575 1.00 0.00 C ATOM 196 C THR A 15 -8.542 -2.368 -6.176 1.00 0.00 C ATOM 197 O THR A 15 -7.508 -2.711 -5.604 1.00 0.00 O ATOM 198 CB THR A 15 -9.888 -4.026 -7.467 1.00 0.00 C ATOM 199 OG1 THR A 15 -9.474 -4.956 -6.460 1.00 0.00 O ATOM 200 CG2 THR A 15 -10.036 -4.745 -8.799 1.00 0.00 C ATOM 0 H THR A 15 -7.395 -4.273 -8.104 1.00 0.00 H new ATOM 0 HA THR A 15 -9.302 -2.068 -8.161 1.00 0.00 H new ATOM 0 HB THR A 15 -10.853 -3.601 -7.193 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.129 -5.682 -6.396 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.762 -5.552 -8.698 1.00 0.00 H new ATOM 0 HG22 THR A 15 -10.379 -4.041 -9.557 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.073 -5.159 -9.098 1.00 0.00 H new ATOM 208 N ASP A 16 -9.433 -1.547 -5.628 1.00 0.00 N ATOM 209 CA ASP A 16 -9.241 -0.992 -4.294 1.00 0.00 C ATOM 210 C ASP A 16 -8.857 -2.084 -3.300 1.00 0.00 C ATOM 211 O ASP A 16 -8.100 -1.843 -2.360 1.00 0.00 O ATOM 212 CB ASP A 16 -10.514 -0.284 -3.826 1.00 0.00 C ATOM 213 CG ASP A 16 -10.778 0.998 -4.590 1.00 0.00 C ATOM 214 OD1 ASP A 16 -11.052 0.918 -5.805 1.00 0.00 O ATOM 215 OD2 ASP A 16 -10.710 2.082 -3.973 1.00 0.00 O ATOM 0 H ASP A 16 -10.294 -1.252 -6.088 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.428 -0.268 -4.342 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -11.364 -0.956 -3.945 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -10.431 -0.059 -2.763 1.00 0.00 H new ATOM 220 N TYR A 17 -9.384 -3.284 -3.515 1.00 0.00 N ATOM 221 CA TYR A 17 -9.099 -4.412 -2.637 1.00 0.00 C ATOM 222 C TYR A 17 -7.670 -4.910 -2.836 1.00 0.00 C ATOM 223 O TYR A 17 -6.956 -5.180 -1.871 1.00 0.00 O ATOM 224 CB TYR A 17 -10.088 -5.550 -2.895 1.00 0.00 C ATOM 225 CG TYR A 17 -9.820 -6.785 -2.066 1.00 0.00 C ATOM 226 CD1 TYR A 17 -8.825 -7.686 -2.426 1.00 0.00 C ATOM 227 CD2 TYR A 17 -10.562 -7.051 -0.922 1.00 0.00 C ATOM 228 CE1 TYR A 17 -8.578 -8.816 -1.672 1.00 0.00 C ATOM 229 CE2 TYR A 17 -10.320 -8.179 -0.160 1.00 0.00 C ATOM 230 CZ TYR A 17 -9.328 -9.058 -0.540 1.00 0.00 C ATOM 231 OH TYR A 17 -9.084 -10.183 0.215 1.00 0.00 O ATOM 0 H TYR A 17 -10.011 -3.501 -4.290 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.207 -4.073 -1.607 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.098 -5.196 -2.688 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.054 -5.817 -3.951 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.235 -7.499 -3.311 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.341 -6.365 -0.623 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.802 -9.507 -1.967 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.905 -8.370 0.728 1.00 0.00 H new ATOM 0 HH TYR A 17 -9.698 -10.204 0.979 1.00 0.00 H new ATOM 241 N GLN A 18 -7.262 -5.028 -4.096 1.00 0.00 N ATOM 242 CA GLN A 18 -5.920 -5.494 -4.422 1.00 0.00 C ATOM 243 C GLN A 18 -4.869 -4.485 -3.971 1.00 0.00 C ATOM 244 O GLN A 18 -3.891 -4.844 -3.312 1.00 0.00 O ATOM 245 CB GLN A 18 -5.794 -5.739 -5.927 1.00 0.00 C ATOM 246 CG GLN A 18 -6.749 -6.799 -6.452 1.00 0.00 C ATOM 247 CD GLN A 18 -6.263 -7.437 -7.739 1.00 0.00 C ATOM 248 OE1 GLN A 18 -5.830 -6.746 -8.662 1.00 0.00 O ATOM 249 NE2 GLN A 18 -6.333 -8.761 -7.807 1.00 0.00 N ATOM 0 H GLN A 18 -7.841 -4.808 -4.906 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.750 -6.431 -3.892 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.976 -4.803 -6.456 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.771 -6.039 -6.154 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.880 -7.572 -5.695 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.728 -6.349 -6.621 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.699 -9.294 -7.018 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.021 -9.246 -8.648 1.00 0.00 H new ATOM 258 N LEU A 19 -5.075 -3.223 -4.329 1.00 0.00 N ATOM 259 CA LEU A 19 -4.145 -2.161 -3.960 1.00 0.00 C ATOM 260 C LEU A 19 -3.952 -2.106 -2.448 1.00 0.00 C ATOM 261 O LEU A 19 -2.857 -1.823 -1.962 1.00 0.00 O ATOM 262 CB LEU A 19 -4.653 -0.811 -4.470 1.00 0.00 C ATOM 263 CG LEU A 19 -4.510 -0.564 -5.972 1.00 0.00 C ATOM 264 CD1 LEU A 19 -5.178 0.745 -6.364 1.00 0.00 C ATOM 265 CD2 LEU A 19 -3.042 -0.556 -6.373 1.00 0.00 C ATOM 0 H LEU A 19 -5.878 -2.910 -4.875 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.182 -2.379 -4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.706 -0.718 -4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.121 -0.021 -3.940 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.008 -1.375 -6.503 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.066 0.904 -7.437 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.238 0.702 -6.112 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.710 1.568 -5.824 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.959 -0.379 -7.445 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.522 0.235 -5.833 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.593 -1.518 -6.128 1.00 0.00 H new ATOM 277 N ARG A 20 -5.023 -2.381 -1.710 1.00 0.00 N ATOM 278 CA ARG A 20 -4.971 -2.364 -0.253 1.00 0.00 C ATOM 279 C ARG A 20 -3.963 -3.386 0.267 1.00 0.00 C ATOM 280 O ARG A 20 -3.109 -3.066 1.094 1.00 0.00 O ATOM 281 CB ARG A 20 -6.354 -2.654 0.331 1.00 0.00 C ATOM 282 CG ARG A 20 -6.441 -2.429 1.832 1.00 0.00 C ATOM 283 CD ARG A 20 -6.386 -0.949 2.177 1.00 0.00 C ATOM 284 NE ARG A 20 -7.620 -0.256 1.818 1.00 0.00 N ATOM 285 CZ ARG A 20 -8.692 -0.211 2.601 1.00 0.00 C ATOM 286 NH1 ARG A 20 -8.681 -0.815 3.781 1.00 0.00 N ATOM 287 NH2 ARG A 20 -9.778 0.440 2.203 1.00 0.00 N ATOM 0 H ARG A 20 -5.936 -2.618 -2.097 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.652 -1.371 0.063 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.089 -2.021 -0.166 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.623 -3.687 0.111 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.368 -2.858 2.212 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.622 -2.950 2.327 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.203 -0.833 3.245 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.547 -0.487 1.657 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.661 0.220 0.917 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.848 -1.316 4.090 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.506 -0.779 4.380 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.790 0.906 1.296 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.601 0.474 2.804 1.00 0.00 H new ATOM 301 N VAL A 21 -4.070 -4.617 -0.223 1.00 0.00 N ATOM 302 CA VAL A 21 -3.169 -5.685 0.191 1.00 0.00 C ATOM 303 C VAL A 21 -1.743 -5.413 -0.274 1.00 0.00 C ATOM 304 O VAL A 21 -0.787 -5.582 0.484 1.00 0.00 O ATOM 305 CB VAL A 21 -3.625 -7.049 -0.360 1.00 0.00 C ATOM 306 CG1 VAL A 21 -2.659 -8.146 0.063 1.00 0.00 C ATOM 307 CG2 VAL A 21 -5.039 -7.365 0.104 1.00 0.00 C ATOM 0 H VAL A 21 -4.772 -4.899 -0.907 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.193 -5.715 1.280 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.627 -6.999 -1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.997 -9.102 -0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.664 -7.924 -0.323 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.622 -8.199 1.151 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.345 -8.332 -0.295 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.066 -7.396 1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.720 -6.593 -0.254 1.00 0.00 H new ATOM 317 N LEU A 22 -1.606 -4.989 -1.526 1.00 0.00 N ATOM 318 CA LEU A 22 -0.295 -4.692 -2.094 1.00 0.00 C ATOM 319 C LEU A 22 0.382 -3.555 -1.335 1.00 0.00 C ATOM 320 O LEU A 22 1.570 -3.627 -1.022 1.00 0.00 O ATOM 321 CB LEU A 22 -0.430 -4.324 -3.573 1.00 0.00 C ATOM 322 CG LEU A 22 -1.080 -5.378 -4.470 1.00 0.00 C ATOM 323 CD1 LEU A 22 -1.462 -4.775 -5.812 1.00 0.00 C ATOM 324 CD2 LEU A 22 -0.146 -6.564 -4.663 1.00 0.00 C ATOM 0 H LEU A 22 -2.386 -4.843 -2.167 1.00 0.00 H new ATOM 0 HA LEU A 22 0.324 -5.584 -2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.011 -3.405 -3.647 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.563 -4.105 -3.965 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.988 -5.732 -3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.923 -5.540 -6.437 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.168 -3.959 -5.657 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.569 -4.393 -6.306 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.625 -7.304 -5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.780 -6.226 -5.128 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.077 -7.013 -3.695 1.00 0.00 H new ATOM 336 N GLN A 23 -0.383 -2.508 -1.042 1.00 0.00 N ATOM 337 CA GLN A 23 0.144 -1.357 -0.319 1.00 0.00 C ATOM 338 C GLN A 23 0.433 -1.714 1.136 1.00 0.00 C ATOM 339 O GLN A 23 1.430 -1.272 1.707 1.00 0.00 O ATOM 340 CB GLN A 23 -0.845 -0.192 -0.383 1.00 0.00 C ATOM 341 CG GLN A 23 -0.187 1.172 -0.249 1.00 0.00 C ATOM 342 CD GLN A 23 0.658 1.292 1.003 1.00 0.00 C ATOM 343 OE1 GLN A 23 0.135 1.427 2.109 1.00 0.00 O ATOM 344 NE2 GLN A 23 1.975 1.243 0.836 1.00 0.00 N ATOM 0 H GLN A 23 -1.369 -2.433 -1.294 1.00 0.00 H new ATOM 0 HA GLN A 23 1.079 -1.058 -0.794 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.384 -0.235 -1.330 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.584 -0.309 0.410 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.437 1.357 -1.123 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.957 1.943 -0.238 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.367 1.130 -0.099 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.595 1.318 1.643 1.00 0.00 H new ATOM 353 N ASP A 24 -0.445 -2.516 1.729 1.00 0.00 N ATOM 354 CA ASP A 24 -0.283 -2.933 3.117 1.00 0.00 C ATOM 355 C ASP A 24 1.009 -3.723 3.300 1.00 0.00 C ATOM 356 O ASP A 24 1.757 -3.497 4.251 1.00 0.00 O ATOM 357 CB ASP A 24 -1.479 -3.777 3.560 1.00 0.00 C ATOM 358 CG ASP A 24 -1.355 -4.247 4.996 1.00 0.00 C ATOM 359 OD1 ASP A 24 -0.668 -5.263 5.230 1.00 0.00 O ATOM 360 OD2 ASP A 24 -1.946 -3.600 5.886 1.00 0.00 O ATOM 0 H ASP A 24 -1.276 -2.890 1.270 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.230 -2.038 3.736 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.393 -3.193 3.449 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.572 -4.643 2.904 1.00 0.00 H new ATOM 365 N PHE A 25 1.264 -4.650 2.384 1.00 0.00 N ATOM 366 CA PHE A 25 2.465 -5.476 2.445 1.00 0.00 C ATOM 367 C PHE A 25 3.711 -4.645 2.153 1.00 0.00 C ATOM 368 O PHE A 25 4.802 -4.951 2.635 1.00 0.00 O ATOM 369 CB PHE A 25 2.365 -6.634 1.450 1.00 0.00 C ATOM 370 CG PHE A 25 3.396 -7.704 1.671 1.00 0.00 C ATOM 371 CD1 PHE A 25 4.736 -7.455 1.424 1.00 0.00 C ATOM 372 CD2 PHE A 25 3.024 -8.959 2.124 1.00 0.00 C ATOM 373 CE1 PHE A 25 5.688 -8.437 1.626 1.00 0.00 C ATOM 374 CE2 PHE A 25 3.971 -9.945 2.329 1.00 0.00 C ATOM 375 CZ PHE A 25 5.304 -9.684 2.078 1.00 0.00 C ATOM 0 H PHE A 25 0.655 -4.849 1.590 1.00 0.00 H new ATOM 0 HA PHE A 25 2.547 -5.880 3.454 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.372 -7.078 1.519 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.470 -6.243 0.438 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.041 -6.482 1.069 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.983 -9.169 2.319 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.730 -8.229 1.431 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.669 -10.919 2.685 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.045 -10.454 2.235 1.00 0.00 H new ATOM 385 N PHE A 26 3.541 -3.593 1.360 1.00 0.00 N ATOM 386 CA PHE A 26 4.651 -2.718 1.001 1.00 0.00 C ATOM 387 C PHE A 26 5.059 -1.844 2.183 1.00 0.00 C ATOM 388 O PHE A 26 6.242 -1.730 2.506 1.00 0.00 O ATOM 389 CB PHE A 26 4.270 -1.838 -0.191 1.00 0.00 C ATOM 390 CG PHE A 26 5.321 -0.826 -0.549 1.00 0.00 C ATOM 391 CD1 PHE A 26 5.390 0.386 0.119 1.00 0.00 C ATOM 392 CD2 PHE A 26 6.239 -1.086 -1.553 1.00 0.00 C ATOM 393 CE1 PHE A 26 6.355 1.320 -0.209 1.00 0.00 C ATOM 394 CE2 PHE A 26 7.207 -0.157 -1.885 1.00 0.00 C ATOM 395 CZ PHE A 26 7.266 1.047 -1.211 1.00 0.00 C ATOM 0 H PHE A 26 2.645 -3.325 0.953 1.00 0.00 H new ATOM 0 HA PHE A 26 5.499 -3.344 0.725 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.080 -2.474 -1.056 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.338 -1.319 0.034 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.682 0.603 0.905 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.198 -2.026 -2.083 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.397 2.262 0.318 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.916 -0.372 -2.670 1.00 0.00 H new ATOM 0 HZ PHE A 26 8.023 1.774 -1.467 1.00 0.00 H new ATOM 405 N ASP A 27 4.072 -1.228 2.824 1.00 0.00 N ATOM 406 CA ASP A 27 4.326 -0.364 3.971 1.00 0.00 C ATOM 407 C ASP A 27 5.147 -1.094 5.030 1.00 0.00 C ATOM 408 O ASP A 27 5.923 -0.479 5.761 1.00 0.00 O ATOM 409 CB ASP A 27 3.007 0.119 4.575 1.00 0.00 C ATOM 410 CG ASP A 27 3.204 1.251 5.565 1.00 0.00 C ATOM 411 OD1 ASP A 27 4.006 1.082 6.507 1.00 0.00 O ATOM 412 OD2 ASP A 27 2.555 2.305 5.397 1.00 0.00 O ATOM 0 H ASP A 27 3.088 -1.311 2.569 1.00 0.00 H new ATOM 0 HA ASP A 27 4.896 0.499 3.625 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.344 0.450 3.776 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.512 -0.714 5.074 1.00 0.00 H new ATOM 417 N ALA A 28 4.970 -2.409 5.106 1.00 0.00 N ATOM 418 CA ALA A 28 5.695 -3.223 6.074 1.00 0.00 C ATOM 419 C ALA A 28 6.962 -3.808 5.460 1.00 0.00 C ATOM 420 O ALA A 28 8.012 -3.846 6.100 1.00 0.00 O ATOM 421 CB ALA A 28 4.801 -4.335 6.603 1.00 0.00 C ATOM 0 H ALA A 28 4.331 -2.933 4.509 1.00 0.00 H new ATOM 0 HA ALA A 28 5.988 -2.581 6.904 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.355 -4.935 7.325 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.927 -3.900 7.088 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.479 -4.968 5.776 1.00 0.00 H new ATOM 427 N ASN A 29 6.856 -4.263 4.216 1.00 0.00 N ATOM 428 CA ASN A 29 7.995 -4.847 3.516 1.00 0.00 C ATOM 429 C ASN A 29 7.907 -4.580 2.016 1.00 0.00 C ATOM 430 O ASN A 29 6.900 -4.888 1.379 1.00 0.00 O ATOM 431 CB ASN A 29 8.060 -6.354 3.774 1.00 0.00 C ATOM 432 CG ASN A 29 9.370 -6.963 3.313 1.00 0.00 C ATOM 433 OD1 ASN A 29 9.293 -8.141 2.705 1.00 0.00 O flip ATOM 434 ND2 ASN A 29 10.438 -6.381 3.502 1.00 0.00 N flip ATOM 0 H ASN A 29 5.994 -4.239 3.672 1.00 0.00 H new ATOM 0 HA ASN A 29 8.903 -4.380 3.898 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.929 -6.544 4.839 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.234 -6.844 3.259 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.450 -5.477 3.974 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.311 -6.803 3.187 1.00 0.00 H new ATOM 441 N ALA A 30 8.969 -4.007 1.460 1.00 0.00 N ATOM 442 CA ALA A 30 9.013 -3.701 0.035 1.00 0.00 C ATOM 443 C ALA A 30 10.159 -4.439 -0.649 1.00 0.00 C ATOM 444 O ALA A 30 10.476 -4.173 -1.809 1.00 0.00 O ATOM 445 CB ALA A 30 9.146 -2.201 -0.179 1.00 0.00 C ATOM 0 H ALA A 30 9.810 -3.745 1.974 1.00 0.00 H new ATOM 0 HA ALA A 30 8.079 -4.039 -0.413 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.178 -1.987 -1.247 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.292 -1.693 0.268 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.064 -1.847 0.289 1.00 0.00 H new ATOM 451 N TYR A 31 10.776 -5.365 0.075 1.00 0.00 N ATOM 452 CA TYR A 31 11.890 -6.138 -0.462 1.00 0.00 C ATOM 453 C TYR A 31 11.729 -7.621 -0.138 1.00 0.00 C ATOM 454 O TYR A 31 12.681 -8.310 0.227 1.00 0.00 O ATOM 455 CB TYR A 31 13.215 -5.623 0.102 1.00 0.00 C ATOM 456 CG TYR A 31 13.422 -4.138 -0.098 1.00 0.00 C ATOM 457 CD1 TYR A 31 12.982 -3.222 0.849 1.00 0.00 C ATOM 458 CD2 TYR A 31 14.057 -3.653 -1.234 1.00 0.00 C ATOM 459 CE1 TYR A 31 13.168 -1.865 0.670 1.00 0.00 C ATOM 460 CE2 TYR A 31 14.249 -2.297 -1.421 1.00 0.00 C ATOM 461 CZ TYR A 31 13.802 -1.408 -0.467 1.00 0.00 C ATOM 462 OH TYR A 31 13.991 -0.056 -0.648 1.00 0.00 O ATOM 0 H TYR A 31 10.524 -5.599 1.035 1.00 0.00 H new ATOM 0 HA TYR A 31 11.893 -6.018 -1.545 1.00 0.00 H new ATOM 0 HB2 TYR A 31 13.258 -5.847 1.168 1.00 0.00 H new ATOM 0 HB3 TYR A 31 14.036 -6.163 -0.371 1.00 0.00 H new ATOM 0 HD1 TYR A 31 12.486 -3.577 1.740 1.00 0.00 H new ATOM 0 HD2 TYR A 31 14.407 -4.347 -1.984 1.00 0.00 H new ATOM 0 HE1 TYR A 31 12.819 -1.166 1.416 1.00 0.00 H new ATOM 0 HE2 TYR A 31 14.746 -1.936 -2.309 1.00 0.00 H new ATOM 0 HH TYR A 31 14.453 0.099 -1.498 1.00 0.00 H new ATOM 472 N PRO A 32 10.494 -8.125 -0.276 1.00 0.00 N ATOM 473 CA PRO A 32 10.177 -9.530 -0.006 1.00 0.00 C ATOM 474 C PRO A 32 10.783 -10.471 -1.042 1.00 0.00 C ATOM 475 O PRO A 32 11.132 -10.053 -2.146 1.00 0.00 O ATOM 476 CB PRO A 32 8.649 -9.569 -0.076 1.00 0.00 C ATOM 477 CG PRO A 32 8.280 -8.427 -0.959 1.00 0.00 C ATOM 478 CD PRO A 32 9.311 -7.361 -0.708 1.00 0.00 C ATOM 0 HA PRO A 32 10.582 -9.863 0.950 1.00 0.00 H new ATOM 0 HB2 PRO A 32 8.296 -10.516 -0.485 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.205 -9.464 0.914 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.277 -8.728 -2.006 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.278 -8.063 -0.729 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.515 -6.779 -1.607 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.984 -6.659 0.059 1.00 0.00 H new ATOM 486 N LYS A 33 10.903 -11.743 -0.680 1.00 0.00 N ATOM 487 CA LYS A 33 11.465 -12.745 -1.579 1.00 0.00 C ATOM 488 C LYS A 33 10.360 -13.505 -2.305 1.00 0.00 C ATOM 489 O LYS A 33 9.186 -13.402 -1.949 1.00 0.00 O ATOM 490 CB LYS A 33 12.344 -13.725 -0.798 1.00 0.00 C ATOM 491 CG LYS A 33 13.532 -13.067 -0.118 1.00 0.00 C ATOM 492 CD LYS A 33 14.674 -14.049 0.081 1.00 0.00 C ATOM 493 CE LYS A 33 14.478 -14.886 1.336 1.00 0.00 C ATOM 494 NZ LYS A 33 15.418 -16.040 1.386 1.00 0.00 N ATOM 0 H LYS A 33 10.619 -12.105 0.230 1.00 0.00 H new ATOM 0 HA LYS A 33 12.076 -12.230 -2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.735 -14.225 -0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.706 -14.496 -1.478 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.876 -12.225 -0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.224 -12.666 0.847 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.747 -14.704 -0.787 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.616 -13.504 0.149 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.624 -14.260 2.216 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.452 -15.252 1.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.252 -16.585 2.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 15.261 -16.651 0.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.397 -15.691 1.378 1.00 0.00 H new ATOM 508 N ASP A 34 10.743 -14.267 -3.324 1.00 0.00 N ATOM 509 CA ASP A 34 9.785 -15.046 -4.099 1.00 0.00 C ATOM 510 C ASP A 34 8.768 -15.723 -3.184 1.00 0.00 C ATOM 511 O ASP A 34 7.560 -15.611 -3.393 1.00 0.00 O ATOM 512 CB ASP A 34 10.511 -16.097 -4.940 1.00 0.00 C ATOM 513 CG ASP A 34 11.556 -15.486 -5.853 1.00 0.00 C ATOM 514 OD1 ASP A 34 11.172 -14.743 -6.780 1.00 0.00 O ATOM 515 OD2 ASP A 34 12.758 -15.751 -5.641 1.00 0.00 O ATOM 0 H ASP A 34 11.711 -14.362 -3.632 1.00 0.00 H new ATOM 0 HA ASP A 34 9.253 -14.365 -4.763 1.00 0.00 H new ATOM 0 HB2 ASP A 34 10.988 -16.821 -4.279 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.784 -16.644 -5.540 1.00 0.00 H new ATOM 520 N ASP A 35 9.266 -16.424 -2.172 1.00 0.00 N ATOM 521 CA ASP A 35 8.402 -17.119 -1.225 1.00 0.00 C ATOM 522 C ASP A 35 7.289 -16.201 -0.730 1.00 0.00 C ATOM 523 O ASP A 35 6.117 -16.576 -0.728 1.00 0.00 O ATOM 524 CB ASP A 35 9.219 -17.636 -0.040 1.00 0.00 C ATOM 525 CG ASP A 35 8.628 -18.893 0.567 1.00 0.00 C ATOM 526 OD1 ASP A 35 8.027 -19.689 -0.185 1.00 0.00 O ATOM 527 OD2 ASP A 35 8.767 -19.082 1.793 1.00 0.00 O ATOM 0 H ASP A 35 10.264 -16.526 -1.986 1.00 0.00 H new ATOM 0 HA ASP A 35 7.948 -17.966 -1.740 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.239 -17.839 -0.367 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.277 -16.860 0.723 1.00 0.00 H new ATOM 532 N GLU A 36 7.665 -14.997 -0.310 1.00 0.00 N ATOM 533 CA GLU A 36 6.698 -14.026 0.190 1.00 0.00 C ATOM 534 C GLU A 36 5.744 -13.590 -0.918 1.00 0.00 C ATOM 535 O GLU A 36 4.524 -13.648 -0.760 1.00 0.00 O ATOM 536 CB GLU A 36 7.419 -12.806 0.767 1.00 0.00 C ATOM 537 CG GLU A 36 8.195 -13.103 2.039 1.00 0.00 C ATOM 538 CD GLU A 36 7.322 -13.066 3.278 1.00 0.00 C ATOM 539 OE1 GLU A 36 7.027 -11.953 3.762 1.00 0.00 O ATOM 540 OE2 GLU A 36 6.933 -14.149 3.763 1.00 0.00 O ATOM 0 H GLU A 36 8.631 -14.671 -0.306 1.00 0.00 H new ATOM 0 HA GLU A 36 6.117 -14.503 0.980 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.104 -12.411 0.017 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.687 -12.025 0.972 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.659 -14.086 1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.001 -12.378 2.146 1.00 0.00 H new ATOM 547 N PHE A 37 6.307 -13.153 -2.039 1.00 0.00 N ATOM 548 CA PHE A 37 5.507 -12.705 -3.173 1.00 0.00 C ATOM 549 C PHE A 37 4.392 -13.701 -3.478 1.00 0.00 C ATOM 550 O PHE A 37 3.280 -13.312 -3.836 1.00 0.00 O ATOM 551 CB PHE A 37 6.393 -12.520 -4.407 1.00 0.00 C ATOM 552 CG PHE A 37 6.968 -11.138 -4.530 1.00 0.00 C ATOM 553 CD1 PHE A 37 6.248 -10.125 -5.143 1.00 0.00 C ATOM 554 CD2 PHE A 37 8.229 -10.851 -4.031 1.00 0.00 C ATOM 555 CE1 PHE A 37 6.776 -8.853 -5.258 1.00 0.00 C ATOM 556 CE2 PHE A 37 8.761 -9.581 -4.142 1.00 0.00 C ATOM 557 CZ PHE A 37 8.033 -8.580 -4.756 1.00 0.00 C ATOM 0 H PHE A 37 7.315 -13.099 -2.187 1.00 0.00 H new ATOM 0 HA PHE A 37 5.055 -11.748 -2.912 1.00 0.00 H new ATOM 0 HB2 PHE A 37 7.209 -13.242 -4.371 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.809 -12.743 -5.300 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.263 -10.332 -5.535 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.802 -11.630 -3.550 1.00 0.00 H new ATOM 0 HE1 PHE A 37 6.206 -8.073 -5.740 1.00 0.00 H new ATOM 0 HE2 PHE A 37 9.745 -9.371 -3.749 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.446 -7.586 -4.843 1.00 0.00 H new ATOM 567 N GLU A 38 4.698 -14.986 -3.335 1.00 0.00 N ATOM 568 CA GLU A 38 3.722 -16.037 -3.597 1.00 0.00 C ATOM 569 C GLU A 38 2.477 -15.851 -2.735 1.00 0.00 C ATOM 570 O GLU A 38 1.352 -16.011 -3.208 1.00 0.00 O ATOM 571 CB GLU A 38 4.337 -17.413 -3.333 1.00 0.00 C ATOM 572 CG GLU A 38 5.222 -17.912 -4.463 1.00 0.00 C ATOM 573 CD GLU A 38 4.426 -18.332 -5.684 1.00 0.00 C ATOM 574 OE1 GLU A 38 3.572 -19.234 -5.556 1.00 0.00 O ATOM 575 OE2 GLU A 38 4.658 -17.757 -6.769 1.00 0.00 O ATOM 0 H GLU A 38 5.614 -15.325 -3.039 1.00 0.00 H new ATOM 0 HA GLU A 38 3.430 -15.972 -4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.924 -17.369 -2.416 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.536 -18.133 -3.165 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.924 -17.127 -4.744 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.813 -18.757 -4.111 1.00 0.00 H new ATOM 582 N GLN A 39 2.688 -15.512 -1.467 1.00 0.00 N ATOM 583 CA GLN A 39 1.583 -15.305 -0.538 1.00 0.00 C ATOM 584 C GLN A 39 0.567 -14.323 -1.111 1.00 0.00 C ATOM 585 O GLN A 39 -0.636 -14.586 -1.109 1.00 0.00 O ATOM 586 CB GLN A 39 2.107 -14.790 0.804 1.00 0.00 C ATOM 587 CG GLN A 39 3.129 -15.710 1.451 1.00 0.00 C ATOM 588 CD GLN A 39 3.131 -15.609 2.964 1.00 0.00 C ATOM 589 OE1 GLN A 39 2.906 -16.596 3.664 1.00 0.00 O ATOM 590 NE2 GLN A 39 3.386 -14.410 3.476 1.00 0.00 N ATOM 0 H GLN A 39 3.613 -15.375 -1.060 1.00 0.00 H new ATOM 0 HA GLN A 39 1.087 -16.263 -0.383 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.556 -13.808 0.656 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.267 -14.657 1.486 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.921 -16.740 1.160 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.122 -15.466 1.073 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.567 -13.619 2.858 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.401 -14.280 4.488 1.00 0.00 H new ATOM 599 N LEU A 40 1.058 -13.190 -1.600 1.00 0.00 N ATOM 600 CA LEU A 40 0.192 -12.167 -2.177 1.00 0.00 C ATOM 601 C LEU A 40 -0.319 -12.596 -3.549 1.00 0.00 C ATOM 602 O LEU A 40 -1.480 -12.369 -3.888 1.00 0.00 O ATOM 603 CB LEU A 40 0.945 -10.840 -2.293 1.00 0.00 C ATOM 604 CG LEU A 40 1.466 -10.247 -0.984 1.00 0.00 C ATOM 605 CD1 LEU A 40 2.730 -9.438 -1.230 1.00 0.00 C ATOM 606 CD2 LEU A 40 0.398 -9.385 -0.326 1.00 0.00 C ATOM 0 H LEU A 40 2.051 -12.956 -1.609 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.664 -12.036 -1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.791 -10.983 -2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.285 -10.110 -2.762 1.00 0.00 H new ATOM 0 HG LEU A 40 1.710 -11.067 -0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.086 -9.024 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.498 -10.084 -1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.513 -8.626 -1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.787 -8.971 0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.122 -8.572 -0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.481 -9.994 -0.113 1.00 0.00 H new ATOM 618 N SER A 41 0.555 -13.220 -4.332 1.00 0.00 N ATOM 619 CA SER A 41 0.193 -13.680 -5.667 1.00 0.00 C ATOM 620 C SER A 41 -0.942 -14.698 -5.602 1.00 0.00 C ATOM 621 O SER A 41 -1.756 -14.796 -6.519 1.00 0.00 O ATOM 622 CB SER A 41 1.407 -14.297 -6.364 1.00 0.00 C ATOM 623 OG SER A 41 1.485 -15.690 -6.114 1.00 0.00 O ATOM 0 H SER A 41 1.519 -13.419 -4.065 1.00 0.00 H new ATOM 0 HA SER A 41 -0.147 -12.818 -6.241 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.343 -14.120 -7.438 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.317 -13.810 -6.015 1.00 0.00 H new ATOM 0 HG SER A 41 1.414 -15.854 -5.150 1.00 0.00 H new ATOM 629 N ASN A 42 -0.988 -15.454 -4.509 1.00 0.00 N ATOM 630 CA ASN A 42 -2.022 -16.465 -4.323 1.00 0.00 C ATOM 631 C ASN A 42 -3.309 -15.837 -3.797 1.00 0.00 C ATOM 632 O ASN A 42 -4.410 -16.272 -4.138 1.00 0.00 O ATOM 633 CB ASN A 42 -1.538 -17.547 -3.356 1.00 0.00 C ATOM 634 CG ASN A 42 -0.738 -18.630 -4.054 1.00 0.00 C ATOM 635 OD1 ASN A 42 -1.277 -19.401 -4.849 1.00 0.00 O ATOM 636 ND2 ASN A 42 0.555 -18.693 -3.758 1.00 0.00 N ATOM 0 H ASN A 42 -0.322 -15.385 -3.740 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.230 -16.919 -5.292 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.925 -17.089 -2.580 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.397 -17.997 -2.859 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.144 -19.401 -4.196 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.959 -18.033 -3.093 1.00 0.00 H new ATOM 643 N LEU A 43 -3.164 -14.811 -2.966 1.00 0.00 N ATOM 644 CA LEU A 43 -4.314 -14.121 -2.393 1.00 0.00 C ATOM 645 C LEU A 43 -5.042 -13.302 -3.454 1.00 0.00 C ATOM 646 O LEU A 43 -6.230 -13.508 -3.707 1.00 0.00 O ATOM 647 CB LEU A 43 -3.869 -13.211 -1.246 1.00 0.00 C ATOM 648 CG LEU A 43 -4.865 -12.131 -0.822 1.00 0.00 C ATOM 649 CD1 LEU A 43 -6.167 -12.760 -0.353 1.00 0.00 C ATOM 650 CD2 LEU A 43 -4.268 -11.256 0.272 1.00 0.00 C ATOM 0 H LEU A 43 -2.261 -14.438 -2.674 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.002 -14.873 -2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.648 -13.834 -0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.937 -12.725 -1.535 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.080 -11.502 -1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.863 -11.976 -0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.602 -13.343 -1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.970 -13.413 0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.990 -10.493 0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.024 -11.872 1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.362 -10.776 -0.099 1.00 0.00 H new ATOM 662 N LEU A 44 -4.322 -12.373 -4.074 1.00 0.00 N ATOM 663 CA LEU A 44 -4.898 -11.524 -5.110 1.00 0.00 C ATOM 664 C LEU A 44 -5.073 -12.297 -6.413 1.00 0.00 C ATOM 665 O LEU A 44 -5.708 -11.817 -7.351 1.00 0.00 O ATOM 666 CB LEU A 44 -4.012 -10.299 -5.345 1.00 0.00 C ATOM 667 CG LEU A 44 -3.670 -9.471 -4.106 1.00 0.00 C ATOM 668 CD1 LEU A 44 -2.572 -8.467 -4.422 1.00 0.00 C ATOM 669 CD2 LEU A 44 -4.909 -8.762 -3.579 1.00 0.00 C ATOM 0 H LEU A 44 -3.338 -12.189 -3.877 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.880 -11.194 -4.770 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.081 -10.632 -5.804 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.508 -9.649 -6.066 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.305 -10.145 -3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.342 -7.887 -3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.678 -8.997 -4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.908 -7.797 -5.213 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.646 -8.178 -2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.304 -8.099 -4.349 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.665 -9.500 -3.313 1.00 0.00 H new ATOM 681 N ASN A 45 -4.505 -13.498 -6.464 1.00 0.00 N ATOM 682 CA ASN A 45 -4.599 -14.338 -7.651 1.00 0.00 C ATOM 683 C ASN A 45 -3.935 -13.665 -8.849 1.00 0.00 C ATOM 684 O ASN A 45 -4.381 -13.817 -9.987 1.00 0.00 O ATOM 685 CB ASN A 45 -6.063 -14.644 -7.971 1.00 0.00 C ATOM 686 CG ASN A 45 -6.683 -15.609 -6.979 1.00 0.00 C ATOM 687 OD1 ASN A 45 -7.647 -15.276 -6.291 1.00 0.00 O ATOM 688 ND2 ASN A 45 -6.129 -16.814 -6.901 1.00 0.00 N ATOM 0 H ASN A 45 -3.975 -13.911 -5.696 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.076 -15.272 -7.446 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.633 -13.715 -7.974 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.132 -15.064 -8.974 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.502 -17.506 -6.251 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.330 -17.047 -7.491 1.00 0.00 H new ATOM 695 N LEU A 46 -2.867 -12.921 -8.585 1.00 0.00 N ATOM 696 CA LEU A 46 -2.140 -12.223 -9.640 1.00 0.00 C ATOM 697 C LEU A 46 -0.720 -12.765 -9.772 1.00 0.00 C ATOM 698 O LEU A 46 -0.135 -13.281 -8.820 1.00 0.00 O ATOM 699 CB LEU A 46 -2.101 -10.722 -9.353 1.00 0.00 C ATOM 700 CG LEU A 46 -3.455 -10.013 -9.299 1.00 0.00 C ATOM 701 CD1 LEU A 46 -3.297 -8.601 -8.756 1.00 0.00 C ATOM 702 CD2 LEU A 46 -4.098 -9.987 -10.678 1.00 0.00 C ATOM 0 H LEU A 46 -2.485 -12.785 -7.649 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.663 -12.392 -10.581 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.594 -10.568 -8.400 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.492 -10.242 -10.119 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.108 -10.568 -8.626 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.271 -8.112 -8.725 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.880 -8.643 -7.750 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.627 -8.035 -9.404 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.061 -9.479 -10.621 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.448 -9.456 -11.373 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.247 -11.008 -11.029 1.00 0.00 H new ATOM 714 N PRO A 47 -0.151 -12.644 -10.981 1.00 0.00 N ATOM 715 CA PRO A 47 1.208 -13.113 -11.266 1.00 0.00 C ATOM 716 C PRO A 47 2.271 -12.267 -10.572 1.00 0.00 C ATOM 717 O PRO A 47 2.253 -11.038 -10.654 1.00 0.00 O ATOM 718 CB PRO A 47 1.321 -12.971 -12.786 1.00 0.00 C ATOM 719 CG PRO A 47 0.343 -11.905 -13.141 1.00 0.00 C ATOM 720 CD PRO A 47 -0.790 -12.039 -12.162 1.00 0.00 C ATOM 0 HA PRO A 47 1.372 -14.128 -10.905 1.00 0.00 H new ATOM 0 HB2 PRO A 47 2.333 -12.695 -13.084 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.085 -13.908 -13.290 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.801 -10.918 -13.075 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.010 -12.025 -14.165 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.235 -11.072 -11.927 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.588 -12.670 -12.555 1.00 0.00 H new ATOM 728 N THR A 48 3.197 -12.932 -9.889 1.00 0.00 N ATOM 729 CA THR A 48 4.267 -12.241 -9.180 1.00 0.00 C ATOM 730 C THR A 48 4.891 -11.155 -10.050 1.00 0.00 C ATOM 731 O THR A 48 5.291 -10.102 -9.553 1.00 0.00 O ATOM 732 CB THR A 48 5.369 -13.220 -8.734 1.00 0.00 C ATOM 733 OG1 THR A 48 5.711 -14.098 -9.812 1.00 0.00 O ATOM 734 CG2 THR A 48 4.913 -14.037 -7.534 1.00 0.00 C ATOM 0 H THR A 48 3.228 -13.949 -9.812 1.00 0.00 H new ATOM 0 HA THR A 48 3.818 -11.784 -8.298 1.00 0.00 H new ATOM 0 HB THR A 48 6.246 -12.639 -8.447 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.414 -14.716 -9.520 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.708 -14.721 -7.237 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.681 -13.368 -6.705 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.023 -14.608 -7.799 1.00 0.00 H new ATOM 742 N ARG A 49 4.969 -11.417 -11.350 1.00 0.00 N ATOM 743 CA ARG A 49 5.545 -10.462 -12.289 1.00 0.00 C ATOM 744 C ARG A 49 4.838 -9.113 -12.194 1.00 0.00 C ATOM 745 O ARG A 49 5.465 -8.061 -12.322 1.00 0.00 O ATOM 746 CB ARG A 49 5.452 -10.999 -13.718 1.00 0.00 C ATOM 747 CG ARG A 49 4.115 -10.723 -14.387 1.00 0.00 C ATOM 748 CD ARG A 49 4.128 -9.397 -15.132 1.00 0.00 C ATOM 749 NE ARG A 49 4.976 -9.445 -16.319 1.00 0.00 N ATOM 750 CZ ARG A 49 4.692 -10.168 -17.397 1.00 0.00 C ATOM 751 NH1 ARG A 49 3.587 -10.899 -17.436 1.00 0.00 N ATOM 752 NH2 ARG A 49 5.515 -10.160 -18.438 1.00 0.00 N ATOM 0 H ARG A 49 4.641 -12.283 -11.777 1.00 0.00 H new ATOM 0 HA ARG A 49 6.594 -10.323 -12.029 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.247 -10.554 -14.317 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.627 -12.075 -13.705 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.881 -11.530 -15.082 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.326 -10.711 -13.635 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.111 -9.135 -15.423 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.481 -8.610 -14.466 1.00 0.00 H new ATOM 0 HE ARG A 49 5.834 -8.893 -16.321 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.953 -10.907 -16.637 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.371 -11.453 -18.265 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.366 -9.599 -18.411 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.296 -10.715 -19.265 1.00 0.00 H new ATOM 766 N VAL A 50 3.528 -9.152 -11.969 1.00 0.00 N ATOM 767 CA VAL A 50 2.736 -7.933 -11.856 1.00 0.00 C ATOM 768 C VAL A 50 2.940 -7.268 -10.500 1.00 0.00 C ATOM 769 O VAL A 50 3.015 -6.043 -10.403 1.00 0.00 O ATOM 770 CB VAL A 50 1.235 -8.219 -12.055 1.00 0.00 C ATOM 771 CG1 VAL A 50 0.399 -7.046 -11.567 1.00 0.00 C ATOM 772 CG2 VAL A 50 0.940 -8.524 -13.516 1.00 0.00 C ATOM 0 H VAL A 50 2.993 -10.014 -11.862 1.00 0.00 H new ATOM 0 HA VAL A 50 3.078 -7.260 -12.642 1.00 0.00 H new ATOM 0 HB VAL A 50 0.968 -9.095 -11.464 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.658 -7.266 -11.716 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.590 -6.880 -10.507 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.666 -6.151 -12.129 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.125 -8.724 -13.638 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.222 -7.669 -14.130 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.511 -9.398 -13.828 1.00 0.00 H new ATOM 782 N ILE A 51 3.029 -8.084 -9.455 1.00 0.00 N ATOM 783 CA ILE A 51 3.226 -7.575 -8.103 1.00 0.00 C ATOM 784 C ILE A 51 4.643 -7.042 -7.918 1.00 0.00 C ATOM 785 O ILE A 51 4.876 -6.129 -7.125 1.00 0.00 O ATOM 786 CB ILE A 51 2.957 -8.663 -7.047 1.00 0.00 C ATOM 787 CG1 ILE A 51 1.636 -9.376 -7.343 1.00 0.00 C ATOM 788 CG2 ILE A 51 2.936 -8.054 -5.653 1.00 0.00 C ATOM 789 CD1 ILE A 51 1.418 -10.616 -6.504 1.00 0.00 C ATOM 0 H ILE A 51 2.968 -9.100 -9.518 1.00 0.00 H new ATOM 0 HA ILE A 51 2.513 -6.762 -7.965 1.00 0.00 H new ATOM 0 HB ILE A 51 3.762 -9.397 -7.089 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.812 -8.683 -7.173 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.609 -9.651 -8.397 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.745 -8.835 -4.917 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.899 -7.588 -5.445 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.149 -7.302 -5.596 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.463 -11.070 -6.767 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.222 -11.328 -6.691 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.412 -10.345 -5.448 1.00 0.00 H new ATOM 801 N VAL A 52 5.587 -7.617 -8.656 1.00 0.00 N ATOM 802 CA VAL A 52 6.981 -7.198 -8.576 1.00 0.00 C ATOM 803 C VAL A 52 7.164 -5.787 -9.126 1.00 0.00 C ATOM 804 O VAL A 52 7.648 -4.896 -8.429 1.00 0.00 O ATOM 805 CB VAL A 52 7.902 -8.161 -9.349 1.00 0.00 C ATOM 806 CG1 VAL A 52 9.343 -7.678 -9.298 1.00 0.00 C ATOM 807 CG2 VAL A 52 7.784 -9.572 -8.792 1.00 0.00 C ATOM 0 H VAL A 52 5.412 -8.374 -9.316 1.00 0.00 H new ATOM 0 HA VAL A 52 7.255 -7.212 -7.521 1.00 0.00 H new ATOM 0 HB VAL A 52 7.587 -8.179 -10.392 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.979 -8.371 -9.849 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.411 -6.687 -9.747 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.674 -7.629 -8.261 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.441 -10.239 -9.350 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.072 -9.574 -7.741 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.754 -9.915 -8.886 1.00 0.00 H new ATOM 817 N VAL A 53 6.771 -5.592 -10.381 1.00 0.00 N ATOM 818 CA VAL A 53 6.890 -4.289 -11.024 1.00 0.00 C ATOM 819 C VAL A 53 6.266 -3.193 -10.167 1.00 0.00 C ATOM 820 O VAL A 53 6.797 -2.087 -10.072 1.00 0.00 O ATOM 821 CB VAL A 53 6.219 -4.285 -12.411 1.00 0.00 C ATOM 822 CG1 VAL A 53 6.248 -2.888 -13.014 1.00 0.00 C ATOM 823 CG2 VAL A 53 6.897 -5.286 -13.333 1.00 0.00 C ATOM 0 H VAL A 53 6.368 -6.319 -10.972 1.00 0.00 H new ATOM 0 HA VAL A 53 7.955 -4.091 -11.142 1.00 0.00 H new ATOM 0 HB VAL A 53 5.177 -4.582 -12.292 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.770 -2.904 -13.993 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.713 -2.199 -12.361 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.282 -2.559 -13.120 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.410 -5.270 -14.308 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.948 -5.021 -13.448 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.819 -6.285 -12.905 1.00 0.00 H new ATOM 833 N TRP A 54 5.136 -3.509 -9.544 1.00 0.00 N ATOM 834 CA TRP A 54 4.439 -2.551 -8.693 1.00 0.00 C ATOM 835 C TRP A 54 5.257 -2.236 -7.445 1.00 0.00 C ATOM 836 O TRP A 54 5.414 -1.073 -7.072 1.00 0.00 O ATOM 837 CB TRP A 54 3.067 -3.096 -8.294 1.00 0.00 C ATOM 838 CG TRP A 54 2.236 -2.110 -7.530 1.00 0.00 C ATOM 839 CD1 TRP A 54 1.220 -1.341 -8.021 1.00 0.00 C ATOM 840 CD2 TRP A 54 2.351 -1.787 -6.140 1.00 0.00 C ATOM 841 NE1 TRP A 54 0.696 -0.559 -7.020 1.00 0.00 N ATOM 842 CE2 TRP A 54 1.372 -0.814 -5.856 1.00 0.00 C ATOM 843 CE3 TRP A 54 3.184 -2.226 -5.108 1.00 0.00 C ATOM 844 CZ2 TRP A 54 1.207 -0.274 -4.584 1.00 0.00 C ATOM 845 CZ3 TRP A 54 3.018 -1.688 -3.845 1.00 0.00 C ATOM 846 CH2 TRP A 54 2.036 -0.722 -3.592 1.00 0.00 C ATOM 0 H TRP A 54 4.683 -4.420 -9.612 1.00 0.00 H new ATOM 0 HA TRP A 54 4.305 -1.629 -9.260 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.528 -3.396 -9.193 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.202 -3.993 -7.689 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.878 -1.347 -9.046 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.072 0.104 -7.126 1.00 0.00 H new ATOM 0 HE3 TRP A 54 3.943 -2.971 -5.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.451 0.472 -4.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.657 -2.019 -3.039 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.931 -0.323 -2.594 1.00 0.00 H new ATOM 857 N PHE A 55 5.777 -3.277 -6.805 1.00 0.00 N ATOM 858 CA PHE A 55 6.579 -3.110 -5.598 1.00 0.00 C ATOM 859 C PHE A 55 7.865 -2.348 -5.901 1.00 0.00 C ATOM 860 O PHE A 55 8.289 -1.492 -5.125 1.00 0.00 O ATOM 861 CB PHE A 55 6.912 -4.474 -4.989 1.00 0.00 C ATOM 862 CG PHE A 55 5.907 -4.938 -3.973 1.00 0.00 C ATOM 863 CD1 PHE A 55 4.585 -5.144 -4.331 1.00 0.00 C ATOM 864 CD2 PHE A 55 6.286 -5.168 -2.660 1.00 0.00 C ATOM 865 CE1 PHE A 55 3.658 -5.571 -3.398 1.00 0.00 C ATOM 866 CE2 PHE A 55 5.364 -5.595 -1.723 1.00 0.00 C ATOM 867 CZ PHE A 55 4.048 -5.796 -2.093 1.00 0.00 C ATOM 0 H PHE A 55 5.658 -4.246 -7.101 1.00 0.00 H new ATOM 0 HA PHE A 55 5.996 -2.532 -4.881 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.978 -5.213 -5.787 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.895 -4.423 -4.520 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.275 -4.969 -5.351 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.313 -5.012 -2.366 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.630 -5.728 -3.690 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.672 -5.771 -0.703 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.326 -6.129 -1.362 1.00 0.00 H new ATOM 877 N GLN A 56 8.482 -2.667 -7.034 1.00 0.00 N ATOM 878 CA GLN A 56 9.721 -2.014 -7.439 1.00 0.00 C ATOM 879 C GLN A 56 9.538 -0.502 -7.519 1.00 0.00 C ATOM 880 O GLN A 56 10.260 0.256 -6.873 1.00 0.00 O ATOM 881 CB GLN A 56 10.189 -2.555 -8.791 1.00 0.00 C ATOM 882 CG GLN A 56 10.919 -3.885 -8.694 1.00 0.00 C ATOM 883 CD GLN A 56 11.903 -4.095 -9.828 1.00 0.00 C ATOM 884 OE1 GLN A 56 12.200 -3.171 -10.587 1.00 0.00 O ATOM 885 NE2 GLN A 56 12.416 -5.313 -9.949 1.00 0.00 N ATOM 0 H GLN A 56 8.144 -3.373 -7.688 1.00 0.00 H new ATOM 0 HA GLN A 56 10.479 -2.231 -6.687 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.325 -2.671 -9.445 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.847 -1.822 -9.258 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.450 -3.935 -7.743 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.191 -4.696 -8.695 1.00 0.00 H new ATOM 0 HE21 GLN A 56 12.142 -6.049 -9.298 1.00 0.00 H new ATOM 0 HE22 GLN A 56 13.084 -5.513 -10.693 1.00 0.00 H new ATOM 894 N ASN A 57 8.567 -0.069 -8.318 1.00 0.00 N ATOM 895 CA ASN A 57 8.290 1.353 -8.483 1.00 0.00 C ATOM 896 C ASN A 57 7.920 1.994 -7.148 1.00 0.00 C ATOM 897 O ASN A 57 8.474 3.025 -6.769 1.00 0.00 O ATOM 898 CB ASN A 57 7.158 1.559 -9.491 1.00 0.00 C ATOM 899 CG ASN A 57 7.623 1.389 -10.925 1.00 0.00 C ATOM 900 OD1 ASN A 57 8.156 2.319 -11.531 1.00 0.00 O ATOM 901 ND2 ASN A 57 7.422 0.197 -11.474 1.00 0.00 N ATOM 0 H ASN A 57 7.959 -0.683 -8.861 1.00 0.00 H new ATOM 0 HA ASN A 57 9.194 1.833 -8.858 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.358 0.848 -9.285 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.739 2.557 -9.364 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.713 0.023 -12.436 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.976 -0.545 -10.934 1.00 0.00 H new ATOM 908 N ALA A 58 6.980 1.375 -6.441 1.00 0.00 N ATOM 909 CA ALA A 58 6.538 1.883 -5.149 1.00 0.00 C ATOM 910 C ALA A 58 7.725 2.305 -4.290 1.00 0.00 C ATOM 911 O ALA A 58 7.662 3.306 -3.576 1.00 0.00 O ATOM 912 CB ALA A 58 5.707 0.833 -4.425 1.00 0.00 C ATOM 0 H ALA A 58 6.510 0.521 -6.742 1.00 0.00 H new ATOM 0 HA ALA A 58 5.919 2.763 -5.325 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.383 1.226 -3.461 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.833 0.582 -5.026 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.308 -0.062 -4.268 1.00 0.00 H new ATOM 918 N ARG A 59 8.806 1.536 -4.363 1.00 0.00 N ATOM 919 CA ARG A 59 10.007 1.830 -3.591 1.00 0.00 C ATOM 920 C ARG A 59 10.652 3.130 -4.062 1.00 0.00 C ATOM 921 O ARG A 59 11.096 3.943 -3.252 1.00 0.00 O ATOM 922 CB ARG A 59 11.009 0.679 -3.707 1.00 0.00 C ATOM 923 CG ARG A 59 10.578 -0.580 -2.972 1.00 0.00 C ATOM 924 CD ARG A 59 11.759 -1.499 -2.702 1.00 0.00 C ATOM 925 NE ARG A 59 12.039 -2.377 -3.835 1.00 0.00 N ATOM 926 CZ ARG A 59 12.788 -2.022 -4.873 1.00 0.00 C ATOM 927 NH1 ARG A 59 13.330 -0.813 -4.921 1.00 0.00 N ATOM 928 NH2 ARG A 59 12.997 -2.878 -5.865 1.00 0.00 N ATOM 0 H ARG A 59 8.875 0.704 -4.949 1.00 0.00 H new ATOM 0 HA ARG A 59 9.717 1.946 -2.547 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.157 0.442 -4.761 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.972 1.006 -3.316 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.104 -0.308 -2.029 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.831 -1.110 -3.563 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.642 -0.899 -2.481 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.554 -2.102 -1.818 1.00 0.00 H new ATOM 0 HE ARG A 59 11.637 -3.315 -3.829 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.172 -0.153 -4.160 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.905 -0.543 -5.719 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.582 -3.809 -5.831 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.572 -2.605 -6.662 1.00 0.00 H new