USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 513 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 62 THR OG1 : rot 180:sc= 0.136 USER MOD Set 1.2: A 65 LYS NZ :NH3+ -154:sc= -0.0183 (180deg=-0.443) USER MOD Single : A 16 LYS NZ :NH3+ 145:sc= -1.07 (180deg=-2.71!) USER MOD Single : A 18 CYS SG : rot -71:sc= -4.52! USER MOD Single : A 22 MET CE :methyl -164:sc= -9.57! (180deg=-12.2!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 30:sc= -0.0403 USER MOD Single : A 27 ASN : amide:sc= -1.46! X(o=-1.5!,f=-1.1) USER MOD Single : A 29 ASN : amide:sc= -0.423 K(o=-0.42,f=-6.9!) USER MOD Single : A 30 GLN : amide:sc= -7.32! C(o=-7.3!,f=-11!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -110:sc= 0.00275 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.136 K(o=0.14,f=-0.55) USER MOD Single : A 44 CYS SG : rot -109:sc= -1.04 USER MOD Single : A 45 ASN : amide:sc= -1.58 K(o=-1.6,f=-7.9!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -125:sc= -0.644 (180deg=-1.6!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.204 K(o=-0.2,f=-1.6!) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.00049) USER MOD Single : A 75 LYS NZ :NH3+ -121:sc= -0.233 (180deg=-1.37) USER MOD ----------------------------------------------------------------- ATOM 166 N TRP A 14 10.870 -10.123 -1.923 1.00 0.00 N ATOM 167 CA TRP A 14 9.978 -10.955 -2.722 1.00 0.00 C ATOM 168 C TRP A 14 10.514 -11.122 -4.140 1.00 0.00 C ATOM 169 O TRP A 14 10.772 -10.139 -4.835 1.00 0.00 O ATOM 170 CB TRP A 14 8.576 -10.344 -2.762 1.00 0.00 C ATOM 171 CG TRP A 14 7.729 -10.723 -1.585 1.00 0.00 C ATOM 172 CD1 TRP A 14 7.268 -9.891 -0.605 1.00 0.00 C ATOM 173 CD2 TRP A 14 7.244 -12.031 -1.265 1.00 0.00 C ATOM 174 NE1 TRP A 14 6.526 -10.604 0.305 1.00 0.00 N ATOM 175 CE2 TRP A 14 6.495 -11.919 -0.077 1.00 0.00 C ATOM 176 CE3 TRP A 14 7.367 -13.286 -1.867 1.00 0.00 C ATOM 177 CZ2 TRP A 14 5.875 -13.014 0.518 1.00 0.00 C ATOM 178 CZ3 TRP A 14 6.751 -14.373 -1.275 1.00 0.00 C ATOM 179 CH2 TRP A 14 6.012 -14.231 -0.093 1.00 0.00 C ATOM 0 HA TRP A 14 9.925 -11.939 -2.256 1.00 0.00 H new ATOM 0 HB2 TRP A 14 8.662 -9.258 -2.804 1.00 0.00 H new ATOM 0 HB3 TRP A 14 8.076 -10.660 -3.677 1.00 0.00 H new ATOM 0 HD1 TRP A 14 7.459 -8.829 -0.553 1.00 0.00 H new ATOM 0 HE1 TRP A 14 6.071 -10.217 1.132 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.933 -13.405 -2.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.306 -12.907 1.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 6.841 -15.348 -1.731 1.00 0.00 H new ATOM 0 HH2 TRP A 14 5.541 -15.099 0.345 1.00 0.00 H new ATOM 190 N ARG A 15 10.678 -12.371 -4.563 1.00 0.00 N ATOM 191 CA ARG A 15 11.184 -12.666 -5.898 1.00 0.00 C ATOM 192 C ARG A 15 10.062 -12.605 -6.930 1.00 0.00 C ATOM 193 O ARG A 15 8.907 -12.906 -6.627 1.00 0.00 O ATOM 194 CB ARG A 15 11.841 -14.047 -5.924 1.00 0.00 C ATOM 195 CG ARG A 15 13.050 -14.164 -5.010 1.00 0.00 C ATOM 196 CD ARG A 15 14.258 -13.446 -5.590 1.00 0.00 C ATOM 197 NE ARG A 15 15.196 -13.026 -4.552 1.00 0.00 N ATOM 198 CZ ARG A 15 16.423 -12.585 -4.806 1.00 0.00 C ATOM 199 NH1 ARG A 15 16.859 -12.507 -6.055 1.00 0.00 N ATOM 200 NH2 ARG A 15 17.218 -12.221 -3.807 1.00 0.00 N ATOM 0 H ARG A 15 10.468 -13.195 -4.000 1.00 0.00 H new ATOM 0 HA ARG A 15 11.929 -11.912 -6.152 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.104 -14.796 -5.635 1.00 0.00 H new ATOM 0 HB3 ARG A 15 12.145 -14.276 -6.945 1.00 0.00 H new ATOM 0 HG2 ARG A 15 12.811 -13.745 -4.033 1.00 0.00 H new ATOM 0 HG3 ARG A 15 13.290 -15.216 -4.855 1.00 0.00 H new ATOM 0 HD2 ARG A 15 14.767 -14.104 -6.294 1.00 0.00 H new ATOM 0 HD3 ARG A 15 13.926 -12.574 -6.153 1.00 0.00 H new ATOM 0 HE ARG A 15 14.892 -13.074 -3.579 1.00 0.00 H new ATOM 0 HH11 ARG A 15 16.252 -12.786 -6.826 1.00 0.00 H new ATOM 0 HH12 ARG A 15 17.802 -12.168 -6.246 1.00 0.00 H new ATOM 0 HH21 ARG A 15 16.887 -12.280 -2.844 1.00 0.00 H new ATOM 0 HH22 ARG A 15 18.160 -11.882 -4.002 1.00 0.00 H new ATOM 214 N LYS A 16 10.409 -12.212 -8.151 1.00 0.00 N ATOM 215 CA LYS A 16 9.433 -12.112 -9.229 1.00 0.00 C ATOM 216 C LYS A 16 8.718 -13.442 -9.442 1.00 0.00 C ATOM 217 O LYS A 16 7.555 -13.475 -9.840 1.00 0.00 O ATOM 218 CB LYS A 16 10.118 -11.675 -10.526 1.00 0.00 C ATOM 219 CG LYS A 16 10.405 -10.185 -10.592 1.00 0.00 C ATOM 220 CD LYS A 16 9.181 -9.401 -11.034 1.00 0.00 C ATOM 221 CE LYS A 16 9.029 -9.413 -12.548 1.00 0.00 C ATOM 222 NZ LYS A 16 8.382 -10.665 -13.030 1.00 0.00 N ATOM 0 H LYS A 16 11.360 -11.957 -8.419 1.00 0.00 H new ATOM 0 HA LYS A 16 8.693 -11.364 -8.946 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.055 -12.222 -10.634 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.488 -11.953 -11.371 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.730 -9.832 -9.613 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.226 -10.002 -11.286 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.289 -9.827 -10.574 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.260 -8.372 -10.683 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.435 -8.554 -12.860 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.010 -9.309 -13.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.779 -10.451 -13.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.114 -11.350 -13.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.800 -11.070 -12.269 1.00 0.00 H new ATOM 236 N GLU A 17 9.423 -14.537 -9.173 1.00 0.00 N ATOM 237 CA GLU A 17 8.854 -15.870 -9.335 1.00 0.00 C ATOM 238 C GLU A 17 7.777 -16.133 -8.286 1.00 0.00 C ATOM 239 O GLU A 17 6.698 -16.636 -8.602 1.00 0.00 O ATOM 240 CB GLU A 17 9.951 -16.932 -9.233 1.00 0.00 C ATOM 241 CG GLU A 17 11.177 -16.624 -10.075 1.00 0.00 C ATOM 242 CD GLU A 17 10.928 -16.811 -11.559 1.00 0.00 C ATOM 243 OE1 GLU A 17 10.406 -15.873 -12.197 1.00 0.00 O ATOM 244 OE2 GLU A 17 11.255 -17.897 -12.083 1.00 0.00 O ATOM 0 H GLU A 17 10.388 -14.527 -8.842 1.00 0.00 H new ATOM 0 HA GLU A 17 8.396 -15.924 -10.323 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.253 -17.032 -8.190 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.542 -17.895 -9.540 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.491 -15.597 -9.890 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.998 -17.270 -9.764 1.00 0.00 H new ATOM 251 N CYS A 18 8.078 -15.790 -7.039 1.00 0.00 N ATOM 252 CA CYS A 18 7.137 -15.990 -5.943 1.00 0.00 C ATOM 253 C CYS A 18 5.994 -14.982 -6.017 1.00 0.00 C ATOM 254 O CYS A 18 4.889 -15.244 -5.541 1.00 0.00 O ATOM 255 CB CYS A 18 7.855 -15.867 -4.598 1.00 0.00 C ATOM 256 SG CYS A 18 9.460 -16.697 -4.540 1.00 0.00 S ATOM 0 H CYS A 18 8.966 -15.372 -6.761 1.00 0.00 H new ATOM 0 HA CYS A 18 6.720 -16.993 -6.034 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.996 -14.811 -4.369 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.216 -16.280 -3.818 1.00 0.00 H new ATOM 0 HG CYS A 18 9.283 -17.985 -4.548 1.00 0.00 H new ATOM 262 N LEU A 19 6.268 -13.828 -6.614 1.00 0.00 N ATOM 263 CA LEU A 19 5.264 -12.778 -6.749 1.00 0.00 C ATOM 264 C LEU A 19 4.240 -13.139 -7.821 1.00 0.00 C ATOM 265 O LEU A 19 3.064 -12.793 -7.711 1.00 0.00 O ATOM 266 CB LEU A 19 5.932 -11.446 -7.095 1.00 0.00 C ATOM 267 CG LEU A 19 6.669 -10.749 -5.951 1.00 0.00 C ATOM 268 CD1 LEU A 19 7.124 -9.361 -6.376 1.00 0.00 C ATOM 269 CD2 LEU A 19 5.783 -10.667 -4.717 1.00 0.00 C ATOM 0 H LEU A 19 7.177 -13.595 -7.013 1.00 0.00 H new ATOM 0 HA LEU A 19 4.746 -12.680 -5.795 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.640 -11.617 -7.906 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.169 -10.767 -7.476 1.00 0.00 H new ATOM 0 HG LEU A 19 7.552 -11.338 -5.701 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.647 -8.880 -5.549 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.796 -9.444 -7.230 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.256 -8.763 -6.654 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.324 -10.168 -3.913 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.882 -10.102 -4.953 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.508 -11.673 -4.399 1.00 0.00 H new ATOM 281 N ALA A 20 4.695 -13.839 -8.855 1.00 0.00 N ATOM 282 CA ALA A 20 3.818 -14.251 -9.944 1.00 0.00 C ATOM 283 C ALA A 20 2.809 -15.292 -9.472 1.00 0.00 C ATOM 284 O ALA A 20 1.654 -15.291 -9.900 1.00 0.00 O ATOM 285 CB ALA A 20 4.638 -14.795 -11.105 1.00 0.00 C ATOM 0 H ALA A 20 5.666 -14.133 -8.961 1.00 0.00 H new ATOM 0 HA ALA A 20 3.265 -13.375 -10.284 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.970 -15.099 -11.911 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.315 -14.021 -11.467 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.217 -15.655 -10.770 1.00 0.00 H new ATOM 291 N VAL A 21 3.252 -16.181 -8.589 1.00 0.00 N ATOM 292 CA VAL A 21 2.387 -17.228 -8.059 1.00 0.00 C ATOM 293 C VAL A 21 1.342 -16.651 -7.112 1.00 0.00 C ATOM 294 O VAL A 21 0.181 -17.061 -7.127 1.00 0.00 O ATOM 295 CB VAL A 21 3.200 -18.304 -7.314 1.00 0.00 C ATOM 296 CG1 VAL A 21 2.303 -19.461 -6.902 1.00 0.00 C ATOM 297 CG2 VAL A 21 4.353 -18.793 -8.178 1.00 0.00 C ATOM 0 H VAL A 21 4.205 -16.197 -8.226 1.00 0.00 H new ATOM 0 HA VAL A 21 1.886 -17.686 -8.912 1.00 0.00 H new ATOM 0 HB VAL A 21 3.617 -17.860 -6.410 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.895 -20.211 -6.377 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.515 -19.094 -6.244 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.855 -19.908 -7.789 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.917 -19.553 -7.636 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.960 -19.221 -9.100 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.009 -17.956 -8.417 1.00 0.00 H new ATOM 307 N MET A 22 1.761 -15.695 -6.288 1.00 0.00 N ATOM 308 CA MET A 22 0.859 -15.059 -5.335 1.00 0.00 C ATOM 309 C MET A 22 -0.270 -14.331 -6.057 1.00 0.00 C ATOM 310 O MET A 22 -1.415 -14.343 -5.607 1.00 0.00 O ATOM 311 CB MET A 22 1.629 -14.079 -4.448 1.00 0.00 C ATOM 312 CG MET A 22 2.268 -14.731 -3.233 1.00 0.00 C ATOM 313 SD MET A 22 2.606 -13.554 -1.910 1.00 0.00 S ATOM 314 CE MET A 22 4.096 -12.773 -2.523 1.00 0.00 C ATOM 0 H MET A 22 2.719 -15.344 -6.261 1.00 0.00 H new ATOM 0 HA MET A 22 0.423 -15.838 -4.710 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.406 -13.597 -5.042 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.950 -13.294 -4.114 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.610 -15.514 -2.858 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.199 -15.213 -3.532 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.586 -12.235 -1.711 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.772 -13.534 -2.914 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.839 -12.073 -3.318 1.00 0.00 H new ATOM 324 N GLU A 23 0.061 -13.698 -7.178 1.00 0.00 N ATOM 325 CA GLU A 23 -0.927 -12.964 -7.960 1.00 0.00 C ATOM 326 C GLU A 23 -1.979 -13.909 -8.532 1.00 0.00 C ATOM 327 O GLU A 23 -3.140 -13.535 -8.697 1.00 0.00 O ATOM 328 CB GLU A 23 -0.244 -12.197 -9.094 1.00 0.00 C ATOM 329 CG GLU A 23 0.197 -10.796 -8.703 1.00 0.00 C ATOM 330 CD GLU A 23 1.052 -10.135 -9.766 1.00 0.00 C ATOM 331 OE1 GLU A 23 1.738 -10.865 -10.513 1.00 0.00 O ATOM 332 OE2 GLU A 23 1.036 -8.890 -9.852 1.00 0.00 O ATOM 0 H GLU A 23 1.005 -13.679 -7.565 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.423 -12.254 -7.298 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.625 -12.762 -9.431 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.928 -12.130 -9.940 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.683 -10.181 -8.516 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.757 -10.843 -7.769 1.00 0.00 H new ATOM 339 N SER A 24 -1.564 -15.135 -8.833 1.00 0.00 N ATOM 340 CA SER A 24 -2.469 -16.133 -9.391 1.00 0.00 C ATOM 341 C SER A 24 -3.512 -16.557 -8.361 1.00 0.00 C ATOM 342 O SER A 24 -4.711 -16.563 -8.642 1.00 0.00 O ATOM 343 CB SER A 24 -1.683 -17.356 -9.868 1.00 0.00 C ATOM 344 OG SER A 24 -2.348 -18.004 -10.938 1.00 0.00 O ATOM 0 H SER A 24 -0.607 -15.461 -8.700 1.00 0.00 H new ATOM 0 HA SER A 24 -2.983 -15.685 -10.241 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.687 -17.050 -10.187 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.553 -18.054 -9.041 1.00 0.00 H new ATOM 0 HG SER A 24 -1.825 -18.781 -11.226 1.00 0.00 H new ATOM 350 N TYR A 25 -3.047 -16.909 -7.168 1.00 0.00 N ATOM 351 CA TYR A 25 -3.939 -17.336 -6.096 1.00 0.00 C ATOM 352 C TYR A 25 -4.833 -16.187 -5.641 1.00 0.00 C ATOM 353 O TYR A 25 -5.992 -16.393 -5.279 1.00 0.00 O ATOM 354 CB TYR A 25 -3.129 -17.867 -4.912 1.00 0.00 C ATOM 355 CG TYR A 25 -2.756 -19.327 -5.038 1.00 0.00 C ATOM 356 CD1 TYR A 25 -1.866 -19.754 -6.015 1.00 0.00 C ATOM 357 CD2 TYR A 25 -3.296 -20.278 -4.181 1.00 0.00 C ATOM 358 CE1 TYR A 25 -1.523 -21.087 -6.135 1.00 0.00 C ATOM 359 CE2 TYR A 25 -2.957 -21.613 -4.293 1.00 0.00 C ATOM 360 CZ TYR A 25 -2.071 -22.013 -5.271 1.00 0.00 C ATOM 361 OH TYR A 25 -1.733 -23.341 -5.386 1.00 0.00 O ATOM 0 H TYR A 25 -2.058 -16.907 -6.918 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.573 -18.134 -6.481 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.219 -17.276 -4.811 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.704 -17.725 -3.997 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.435 -19.032 -6.692 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.992 -19.969 -3.415 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.830 -21.403 -6.901 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.384 -22.340 -3.618 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.822 -23.417 -5.738 1.00 0.00 H new ATOM 371 N PHE A 26 -4.287 -14.976 -5.662 1.00 0.00 N ATOM 372 CA PHE A 26 -5.034 -13.793 -5.252 1.00 0.00 C ATOM 373 C PHE A 26 -6.205 -13.536 -6.195 1.00 0.00 C ATOM 374 O PHE A 26 -7.266 -13.076 -5.773 1.00 0.00 O ATOM 375 CB PHE A 26 -4.114 -12.570 -5.217 1.00 0.00 C ATOM 376 CG PHE A 26 -4.746 -11.363 -4.584 1.00 0.00 C ATOM 377 CD1 PHE A 26 -5.843 -10.752 -5.169 1.00 0.00 C ATOM 378 CD2 PHE A 26 -4.241 -10.840 -3.405 1.00 0.00 C ATOM 379 CE1 PHE A 26 -6.427 -9.642 -4.589 1.00 0.00 C ATOM 380 CE2 PHE A 26 -4.821 -9.730 -2.820 1.00 0.00 C ATOM 381 CZ PHE A 26 -5.914 -9.129 -3.413 1.00 0.00 C ATOM 0 H PHE A 26 -3.329 -14.788 -5.959 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.428 -13.971 -4.252 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.206 -12.824 -4.670 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.814 -12.322 -6.235 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.247 -11.148 -6.089 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.385 -11.304 -2.938 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -7.283 -9.176 -5.054 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.420 -9.333 -1.899 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.367 -8.260 -2.959 1.00 0.00 H new ATOM 391 N ASN A 27 -6.005 -13.836 -7.474 1.00 0.00 N ATOM 392 CA ASN A 27 -7.044 -13.636 -8.478 1.00 0.00 C ATOM 393 C ASN A 27 -8.230 -14.561 -8.224 1.00 0.00 C ATOM 394 O ASN A 27 -9.382 -14.181 -8.435 1.00 0.00 O ATOM 395 CB ASN A 27 -6.482 -13.882 -9.880 1.00 0.00 C ATOM 396 CG ASN A 27 -5.791 -12.657 -10.448 1.00 0.00 C ATOM 397 OD1 ASN A 27 -6.081 -12.230 -11.566 1.00 0.00 O ATOM 398 ND2 ASN A 27 -4.871 -12.087 -9.679 1.00 0.00 N ATOM 0 H ASN A 27 -5.133 -14.218 -7.840 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.389 -12.604 -8.408 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.775 -14.711 -9.845 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.292 -14.181 -10.546 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.372 -11.261 -10.008 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.663 -12.475 -8.759 1.00 0.00 H new ATOM 405 N GLU A 28 -7.940 -15.776 -7.770 1.00 0.00 N ATOM 406 CA GLU A 28 -8.983 -16.755 -7.488 1.00 0.00 C ATOM 407 C GLU A 28 -9.566 -16.543 -6.094 1.00 0.00 C ATOM 408 O GLU A 28 -10.752 -16.772 -5.864 1.00 0.00 O ATOM 409 CB GLU A 28 -8.427 -18.175 -7.610 1.00 0.00 C ATOM 410 CG GLU A 28 -7.526 -18.578 -6.454 1.00 0.00 C ATOM 411 CD GLU A 28 -7.357 -20.080 -6.343 1.00 0.00 C ATOM 412 OE1 GLU A 28 -8.343 -20.764 -5.994 1.00 0.00 O ATOM 413 OE2 GLU A 28 -6.239 -20.573 -6.603 1.00 0.00 O ATOM 0 H GLU A 28 -6.992 -16.106 -7.590 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.779 -16.620 -8.220 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.258 -18.877 -7.674 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.867 -18.258 -8.542 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.548 -18.115 -6.582 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.942 -18.193 -5.523 1.00 0.00 H new ATOM 420 N ASN A 29 -8.720 -16.105 -5.166 1.00 0.00 N ATOM 421 CA ASN A 29 -9.150 -15.863 -3.793 1.00 0.00 C ATOM 422 C ASN A 29 -8.360 -14.716 -3.170 1.00 0.00 C ATOM 423 O ASN A 29 -7.131 -14.752 -3.121 1.00 0.00 O ATOM 424 CB ASN A 29 -8.980 -17.130 -2.953 1.00 0.00 C ATOM 425 CG ASN A 29 -9.610 -17.002 -1.579 1.00 0.00 C ATOM 426 OD1 ASN A 29 -9.978 -15.907 -1.153 1.00 0.00 O ATOM 427 ND2 ASN A 29 -9.736 -18.123 -0.879 1.00 0.00 N ATOM 0 H ASN A 29 -7.734 -15.911 -5.340 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.204 -15.586 -3.812 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.428 -17.974 -3.478 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -7.918 -17.350 -2.844 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -10.152 -18.099 0.052 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -9.417 -19.008 -1.272 1.00 0.00 H new ATOM 434 N GLN A 30 -9.075 -13.702 -2.695 1.00 0.00 N ATOM 435 CA GLN A 30 -8.440 -12.545 -2.075 1.00 0.00 C ATOM 436 C GLN A 30 -7.756 -12.934 -0.769 1.00 0.00 C ATOM 437 O GLN A 30 -6.612 -12.554 -0.518 1.00 0.00 O ATOM 438 CB GLN A 30 -9.474 -11.447 -1.816 1.00 0.00 C ATOM 439 CG GLN A 30 -10.056 -10.848 -3.086 1.00 0.00 C ATOM 440 CD GLN A 30 -9.269 -9.652 -3.582 1.00 0.00 C ATOM 441 OE1 GLN A 30 -8.408 -9.125 -2.876 1.00 0.00 O ATOM 442 NE2 GLN A 30 -9.559 -9.216 -4.802 1.00 0.00 N ATOM 0 H GLN A 30 -10.094 -13.658 -2.727 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.683 -12.167 -2.762 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -10.284 -11.857 -1.213 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.010 -10.654 -1.229 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.080 -11.610 -3.865 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -11.088 -10.548 -2.902 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -10.280 -9.683 -5.352 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.061 -8.414 -5.189 1.00 0.00 H new ATOM 451 N TYR A 31 -8.463 -13.693 0.060 1.00 0.00 N ATOM 452 CA TYR A 31 -7.925 -14.132 1.342 1.00 0.00 C ATOM 453 C TYR A 31 -7.816 -15.653 1.396 1.00 0.00 C ATOM 454 O TYR A 31 -8.760 -16.356 1.756 1.00 0.00 O ATOM 455 CB TYR A 31 -8.808 -13.632 2.487 1.00 0.00 C ATOM 456 CG TYR A 31 -9.296 -12.214 2.300 1.00 0.00 C ATOM 457 CD1 TYR A 31 -10.255 -11.909 1.341 1.00 0.00 C ATOM 458 CD2 TYR A 31 -8.801 -11.178 3.083 1.00 0.00 C ATOM 459 CE1 TYR A 31 -10.703 -10.614 1.167 1.00 0.00 C ATOM 460 CE2 TYR A 31 -9.245 -9.881 2.917 1.00 0.00 C ATOM 461 CZ TYR A 31 -10.196 -9.604 1.957 1.00 0.00 C ATOM 462 OH TYR A 31 -10.641 -8.313 1.787 1.00 0.00 O ATOM 0 H TYR A 31 -9.411 -14.017 -0.133 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.926 -13.711 1.451 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.669 -14.293 2.586 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.248 -13.695 3.420 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.656 -12.698 0.722 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.056 -11.391 3.835 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.447 -10.394 0.416 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -8.850 -9.088 3.535 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.185 -7.723 2.423 1.00 0.00 H new ATOM 472 N PRO A 32 -6.635 -16.173 1.029 1.00 0.00 N ATOM 473 CA PRO A 32 -6.373 -17.616 1.028 1.00 0.00 C ATOM 474 C PRO A 32 -6.301 -18.193 2.437 1.00 0.00 C ATOM 475 O PRO A 32 -5.550 -17.704 3.281 1.00 0.00 O ATOM 476 CB PRO A 32 -5.013 -17.727 0.334 1.00 0.00 C ATOM 477 CG PRO A 32 -4.358 -16.410 0.569 1.00 0.00 C ATOM 478 CD PRO A 32 -5.466 -15.394 0.589 1.00 0.00 C ATOM 0 HA PRO A 32 -7.167 -18.175 0.533 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.422 -18.543 0.750 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.128 -17.927 -0.731 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.811 -16.409 1.512 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.638 -16.186 -0.218 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.248 -14.575 1.274 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.624 -14.953 -0.395 1.00 0.00 H new ATOM 486 N ASP A 33 -7.085 -19.236 2.685 1.00 0.00 N ATOM 487 CA ASP A 33 -7.109 -19.882 3.992 1.00 0.00 C ATOM 488 C ASP A 33 -5.738 -20.449 4.343 1.00 0.00 C ATOM 489 O ASP A 33 -4.777 -20.283 3.593 1.00 0.00 O ATOM 490 CB ASP A 33 -8.157 -20.996 4.015 1.00 0.00 C ATOM 491 CG ASP A 33 -9.572 -20.457 4.102 1.00 0.00 C ATOM 492 OD1 ASP A 33 -9.886 -19.495 3.371 1.00 0.00 O ATOM 493 OD2 ASP A 33 -10.365 -20.999 4.900 1.00 0.00 O ATOM 0 H ASP A 33 -7.713 -19.653 1.998 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.373 -19.131 4.736 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.057 -21.604 3.116 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.968 -21.652 4.865 1.00 0.00 H new ATOM 498 N GLU A 34 -5.655 -21.119 5.489 1.00 0.00 N ATOM 499 CA GLU A 34 -4.400 -21.709 5.939 1.00 0.00 C ATOM 500 C GLU A 34 -3.906 -22.758 4.947 1.00 0.00 C ATOM 501 O GLU A 34 -2.720 -22.811 4.624 1.00 0.00 O ATOM 502 CB GLU A 34 -4.575 -22.341 7.322 1.00 0.00 C ATOM 503 CG GLU A 34 -3.351 -23.102 7.802 1.00 0.00 C ATOM 504 CD GLU A 34 -3.394 -23.396 9.289 1.00 0.00 C ATOM 505 OE1 GLU A 34 -3.396 -22.433 10.084 1.00 0.00 O ATOM 506 OE2 GLU A 34 -3.426 -24.589 9.658 1.00 0.00 O ATOM 0 H GLU A 34 -6.441 -21.266 6.122 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.656 -20.915 6.002 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.812 -21.558 8.043 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.428 -23.020 7.297 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.272 -24.040 7.252 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.456 -22.523 7.575 1.00 0.00 H new ATOM 513 N ALA A 35 -4.824 -23.592 4.470 1.00 0.00 N ATOM 514 CA ALA A 35 -4.482 -24.638 3.514 1.00 0.00 C ATOM 515 C ALA A 35 -4.075 -24.044 2.171 1.00 0.00 C ATOM 516 O ALA A 35 -3.102 -24.482 1.555 1.00 0.00 O ATOM 517 CB ALA A 35 -5.653 -25.594 3.337 1.00 0.00 C ATOM 0 H ALA A 35 -5.810 -23.564 4.730 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.630 -25.192 3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.384 -26.370 2.620 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.896 -26.053 4.295 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.519 -25.044 2.968 1.00 0.00 H new ATOM 523 N LYS A 36 -4.824 -23.044 1.720 1.00 0.00 N ATOM 524 CA LYS A 36 -4.541 -22.388 0.449 1.00 0.00 C ATOM 525 C LYS A 36 -3.196 -21.671 0.494 1.00 0.00 C ATOM 526 O LYS A 36 -2.426 -21.713 -0.466 1.00 0.00 O ATOM 527 CB LYS A 36 -5.651 -21.390 0.108 1.00 0.00 C ATOM 528 CG LYS A 36 -5.552 -20.827 -1.299 1.00 0.00 C ATOM 529 CD LYS A 36 -5.877 -21.880 -2.345 1.00 0.00 C ATOM 530 CE LYS A 36 -7.361 -21.894 -2.680 1.00 0.00 C ATOM 531 NZ LYS A 36 -7.708 -22.998 -3.616 1.00 0.00 N ATOM 0 H LYS A 36 -5.633 -22.670 2.216 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.499 -23.154 -0.325 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.617 -21.880 0.227 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.620 -20.567 0.822 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.236 -19.985 -1.404 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.546 -20.443 -1.468 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.301 -21.686 -3.250 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.576 -22.862 -1.980 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.939 -22.001 -1.762 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.642 -20.939 -3.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.954 -22.601 -4.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.893 -23.637 -3.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.520 -23.529 -3.241 1.00 0.00 H new ATOM 545 N ARG A 37 -2.918 -21.014 1.616 1.00 0.00 N ATOM 546 CA ARG A 37 -1.665 -20.289 1.786 1.00 0.00 C ATOM 547 C ARG A 37 -0.470 -21.227 1.646 1.00 0.00 C ATOM 548 O ARG A 37 0.537 -20.877 1.032 1.00 0.00 O ATOM 549 CB ARG A 37 -1.630 -19.601 3.152 1.00 0.00 C ATOM 550 CG ARG A 37 -2.421 -18.305 3.202 1.00 0.00 C ATOM 551 CD ARG A 37 -1.919 -17.388 4.306 1.00 0.00 C ATOM 552 NE ARG A 37 -2.609 -17.625 5.572 1.00 0.00 N ATOM 553 CZ ARG A 37 -3.781 -17.082 5.883 1.00 0.00 C ATOM 554 NH1 ARG A 37 -4.390 -16.275 5.025 1.00 0.00 N ATOM 555 NH2 ARG A 37 -4.345 -17.347 7.054 1.00 0.00 N ATOM 0 H ARG A 37 -3.544 -20.969 2.420 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.604 -19.532 1.004 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.022 -20.285 3.904 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.594 -19.395 3.419 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.346 -17.795 2.242 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.476 -18.527 3.364 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.848 -17.539 4.443 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.059 -16.349 4.006 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.167 -18.241 6.254 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.959 -16.070 4.124 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.290 -15.859 5.266 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.879 -17.968 7.716 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.245 -16.930 7.293 1.00 0.00 H new ATOM 569 N GLU A 38 -0.590 -22.420 2.222 1.00 0.00 N ATOM 570 CA GLU A 38 0.481 -23.407 2.162 1.00 0.00 C ATOM 571 C GLU A 38 0.674 -23.916 0.736 1.00 0.00 C ATOM 572 O GLU A 38 1.798 -24.163 0.301 1.00 0.00 O ATOM 573 CB GLU A 38 0.177 -24.580 3.096 1.00 0.00 C ATOM 574 CG GLU A 38 0.538 -24.311 4.547 1.00 0.00 C ATOM 575 CD GLU A 38 -0.159 -25.256 5.507 1.00 0.00 C ATOM 576 OE1 GLU A 38 -0.124 -26.481 5.262 1.00 0.00 O ATOM 577 OE2 GLU A 38 -0.739 -24.772 6.501 1.00 0.00 O ATOM 0 H GLU A 38 -1.417 -22.725 2.735 1.00 0.00 H new ATOM 0 HA GLU A 38 1.403 -22.924 2.485 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.885 -24.818 3.033 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.722 -25.459 2.751 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.617 -24.403 4.672 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.274 -23.284 4.799 1.00 0.00 H new ATOM 584 N GLU A 39 -0.432 -24.070 0.014 1.00 0.00 N ATOM 585 CA GLU A 39 -0.385 -24.550 -1.361 1.00 0.00 C ATOM 586 C GLU A 39 0.324 -23.545 -2.265 1.00 0.00 C ATOM 587 O GLU A 39 1.184 -23.914 -3.066 1.00 0.00 O ATOM 588 CB GLU A 39 -1.800 -24.811 -1.883 1.00 0.00 C ATOM 589 CG GLU A 39 -1.843 -25.725 -3.096 1.00 0.00 C ATOM 590 CD GLU A 39 -1.338 -27.122 -2.791 1.00 0.00 C ATOM 591 OE1 GLU A 39 -2.034 -27.860 -2.063 1.00 0.00 O ATOM 592 OE2 GLU A 39 -0.246 -27.477 -3.282 1.00 0.00 O ATOM 0 H GLU A 39 -1.371 -23.869 0.359 1.00 0.00 H new ATOM 0 HA GLU A 39 0.177 -25.484 -1.373 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.397 -25.252 -1.085 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.265 -23.859 -2.139 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.867 -25.785 -3.465 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.241 -25.291 -3.895 1.00 0.00 H new ATOM 599 N ILE A 40 -0.042 -22.275 -2.129 1.00 0.00 N ATOM 600 CA ILE A 40 0.559 -21.217 -2.932 1.00 0.00 C ATOM 601 C ILE A 40 1.996 -20.947 -2.498 1.00 0.00 C ATOM 602 O ILE A 40 2.836 -20.557 -3.308 1.00 0.00 O ATOM 603 CB ILE A 40 -0.249 -19.910 -2.836 1.00 0.00 C ATOM 604 CG1 ILE A 40 0.180 -18.938 -3.937 1.00 0.00 C ATOM 605 CG2 ILE A 40 -0.070 -19.277 -1.464 1.00 0.00 C ATOM 606 CD1 ILE A 40 1.552 -18.340 -3.715 1.00 0.00 C ATOM 0 H ILE A 40 -0.752 -21.954 -1.471 1.00 0.00 H new ATOM 0 HA ILE A 40 0.553 -21.563 -3.966 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.305 -20.142 -2.973 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.170 -19.459 -4.894 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.552 -18.133 -4.005 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.647 -18.354 -1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.419 -19.968 -0.696 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.985 -19.055 -1.300 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.790 -17.661 -4.534 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.561 -17.790 -2.774 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.295 -19.137 -3.677 1.00 0.00 H new ATOM 618 N ALA A 41 2.271 -21.160 -1.215 1.00 0.00 N ATOM 619 CA ALA A 41 3.607 -20.944 -0.674 1.00 0.00 C ATOM 620 C ALA A 41 4.581 -22.004 -1.177 1.00 0.00 C ATOM 621 O ALA A 41 5.692 -21.688 -1.601 1.00 0.00 O ATOM 622 CB ALA A 41 3.566 -20.941 0.847 1.00 0.00 C ATOM 0 H ALA A 41 1.586 -21.482 -0.531 1.00 0.00 H new ATOM 0 HA ALA A 41 3.959 -19.972 -1.019 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.571 -20.779 1.238 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.909 -20.142 1.192 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.189 -21.900 1.203 1.00 0.00 H new ATOM 628 N ASN A 42 4.157 -23.262 -1.127 1.00 0.00 N ATOM 629 CA ASN A 42 4.993 -24.369 -1.576 1.00 0.00 C ATOM 630 C ASN A 42 5.405 -24.183 -3.033 1.00 0.00 C ATOM 631 O ASN A 42 6.522 -24.525 -3.422 1.00 0.00 O ATOM 632 CB ASN A 42 4.251 -25.697 -1.410 1.00 0.00 C ATOM 633 CG ASN A 42 4.360 -26.247 -0.001 1.00 0.00 C ATOM 634 OD1 ASN A 42 4.857 -27.354 0.208 1.00 0.00 O ATOM 635 ND2 ASN A 42 3.893 -25.475 0.973 1.00 0.00 N ATOM 0 H ASN A 42 3.239 -23.541 -0.780 1.00 0.00 H new ATOM 0 HA ASN A 42 5.893 -24.384 -0.961 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.200 -25.557 -1.662 1.00 0.00 H new ATOM 0 HB3 ASN A 42 4.653 -26.426 -2.114 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.938 -25.792 1.941 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.489 -24.564 0.753 1.00 0.00 H new ATOM 642 N ALA A 43 4.496 -23.638 -3.834 1.00 0.00 N ATOM 643 CA ALA A 43 4.765 -23.403 -5.248 1.00 0.00 C ATOM 644 C ALA A 43 5.832 -22.329 -5.432 1.00 0.00 C ATOM 645 O ALA A 43 6.634 -22.391 -6.365 1.00 0.00 O ATOM 646 CB ALA A 43 3.486 -23.009 -5.971 1.00 0.00 C ATOM 0 H ALA A 43 3.566 -23.351 -3.528 1.00 0.00 H new ATOM 0 HA ALA A 43 5.141 -24.330 -5.680 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.702 -22.837 -7.025 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.753 -23.811 -5.877 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.085 -22.097 -5.529 1.00 0.00 H new ATOM 652 N CYS A 44 5.834 -21.345 -4.540 1.00 0.00 N ATOM 653 CA CYS A 44 6.801 -20.255 -4.606 1.00 0.00 C ATOM 654 C CYS A 44 8.208 -20.758 -4.302 1.00 0.00 C ATOM 655 O CYS A 44 9.181 -20.318 -4.913 1.00 0.00 O ATOM 656 CB CYS A 44 6.419 -19.146 -3.625 1.00 0.00 C ATOM 657 SG CYS A 44 4.897 -18.271 -4.055 1.00 0.00 S ATOM 0 H CYS A 44 5.177 -21.279 -3.763 1.00 0.00 H new ATOM 0 HA CYS A 44 6.790 -19.853 -5.619 1.00 0.00 H new ATOM 0 HB2 CYS A 44 6.308 -19.578 -2.630 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.236 -18.426 -3.571 1.00 0.00 H new ATOM 0 HG CYS A 44 5.186 -17.068 -4.453 1.00 0.00 H new ATOM 663 N ASN A 45 8.308 -21.682 -3.352 1.00 0.00 N ATOM 664 CA ASN A 45 9.597 -22.244 -2.964 1.00 0.00 C ATOM 665 C ASN A 45 10.180 -23.095 -4.089 1.00 0.00 C ATOM 666 O ASN A 45 11.396 -23.159 -4.266 1.00 0.00 O ATOM 667 CB ASN A 45 9.449 -23.087 -1.696 1.00 0.00 C ATOM 668 CG ASN A 45 9.596 -22.261 -0.433 1.00 0.00 C ATOM 669 OD1 ASN A 45 10.594 -21.564 -0.246 1.00 0.00 O ATOM 670 ND2 ASN A 45 8.600 -22.336 0.443 1.00 0.00 N ATOM 0 H ASN A 45 7.512 -22.058 -2.837 1.00 0.00 H new ATOM 0 HA ASN A 45 10.280 -21.418 -2.765 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.473 -23.573 -1.698 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.199 -23.878 -1.699 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.644 -21.803 1.312 1.00 0.00 H new ATOM 0 HD22 ASN A 45 7.792 -22.927 0.247 1.00 0.00 H new ATOM 677 N ALA A 46 9.303 -23.746 -4.846 1.00 0.00 N ATOM 678 CA ALA A 46 9.730 -24.590 -5.955 1.00 0.00 C ATOM 679 C ALA A 46 10.288 -23.752 -7.100 1.00 0.00 C ATOM 680 O ALA A 46 11.354 -24.050 -7.639 1.00 0.00 O ATOM 681 CB ALA A 46 8.571 -25.448 -6.441 1.00 0.00 C ATOM 0 H ALA A 46 8.293 -23.705 -4.712 1.00 0.00 H new ATOM 0 HA ALA A 46 10.526 -25.243 -5.597 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.904 -26.073 -7.269 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.220 -26.081 -5.626 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.757 -24.805 -6.776 1.00 0.00 H new ATOM 687 N VAL A 47 9.560 -22.703 -7.469 1.00 0.00 N ATOM 688 CA VAL A 47 9.982 -21.821 -8.550 1.00 0.00 C ATOM 689 C VAL A 47 11.353 -21.219 -8.265 1.00 0.00 C ATOM 690 O VAL A 47 12.145 -20.990 -9.180 1.00 0.00 O ATOM 691 CB VAL A 47 8.970 -20.682 -8.774 1.00 0.00 C ATOM 692 CG1 VAL A 47 7.716 -21.208 -9.457 1.00 0.00 C ATOM 693 CG2 VAL A 47 8.625 -20.009 -7.454 1.00 0.00 C ATOM 0 H VAL A 47 8.674 -22.443 -7.035 1.00 0.00 H new ATOM 0 HA VAL A 47 10.036 -22.431 -9.452 1.00 0.00 H new ATOM 0 HB VAL A 47 9.426 -19.938 -9.427 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.013 -20.389 -9.607 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.981 -21.640 -10.422 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.255 -21.973 -8.832 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.909 -19.207 -7.631 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.189 -20.742 -6.775 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.530 -19.596 -7.009 1.00 0.00 H new ATOM 703 N ILE A 48 11.627 -20.964 -6.990 1.00 0.00 N ATOM 704 CA ILE A 48 12.904 -20.390 -6.583 1.00 0.00 C ATOM 705 C ILE A 48 13.928 -21.480 -6.289 1.00 0.00 C ATOM 706 O ILE A 48 15.125 -21.296 -6.511 1.00 0.00 O ATOM 707 CB ILE A 48 12.748 -19.497 -5.338 1.00 0.00 C ATOM 708 CG1 ILE A 48 12.290 -20.331 -4.140 1.00 0.00 C ATOM 709 CG2 ILE A 48 11.764 -18.370 -5.613 1.00 0.00 C ATOM 710 CD1 ILE A 48 12.296 -19.568 -2.834 1.00 0.00 C ATOM 0 H ILE A 48 10.982 -21.146 -6.221 1.00 0.00 H new ATOM 0 HA ILE A 48 13.256 -19.780 -7.415 1.00 0.00 H new ATOM 0 HB ILE A 48 13.717 -19.057 -5.102 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.283 -20.702 -4.330 1.00 0.00 H new ATOM 0 HG13 ILE A 48 12.938 -21.202 -4.045 1.00 0.00 H new ATOM 0 HG21 ILE A 48 11.665 -17.748 -4.723 1.00 0.00 H new ATOM 0 HG22 ILE A 48 12.129 -17.763 -6.441 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.792 -18.790 -5.872 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.960 -20.222 -2.029 1.00 0.00 H new ATOM 0 HD12 ILE A 48 13.307 -19.220 -2.621 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.626 -18.712 -2.910 1.00 0.00 H new ATOM 722 N GLN A 49 13.450 -22.615 -5.790 1.00 0.00 N ATOM 723 CA GLN A 49 14.325 -23.736 -5.467 1.00 0.00 C ATOM 724 C GLN A 49 15.145 -24.155 -6.683 1.00 0.00 C ATOM 725 O GLN A 49 14.596 -24.426 -7.752 1.00 0.00 O ATOM 726 CB GLN A 49 13.504 -24.921 -4.958 1.00 0.00 C ATOM 727 CG GLN A 49 14.335 -26.165 -4.684 1.00 0.00 C ATOM 728 CD GLN A 49 13.614 -27.166 -3.804 1.00 0.00 C ATOM 729 OE1 GLN A 49 12.480 -27.555 -4.086 1.00 0.00 O ATOM 730 NE2 GLN A 49 14.269 -27.590 -2.729 1.00 0.00 N ATOM 0 H GLN A 49 12.462 -22.783 -5.601 1.00 0.00 H new ATOM 0 HA GLN A 49 15.010 -23.415 -4.683 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.989 -24.629 -4.043 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.736 -25.162 -5.693 1.00 0.00 H new ATOM 0 HG2 GLN A 49 14.595 -26.640 -5.630 1.00 0.00 H new ATOM 0 HG3 GLN A 49 15.271 -25.874 -4.206 1.00 0.00 H new ATOM 0 HE21 GLN A 49 15.207 -27.241 -2.533 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.834 -28.264 -2.099 1.00 0.00 H new ATOM 739 N LYS A 50 16.462 -24.205 -6.514 1.00 0.00 N ATOM 740 CA LYS A 50 17.358 -24.592 -7.597 1.00 0.00 C ATOM 741 C LYS A 50 17.968 -25.965 -7.334 1.00 0.00 C ATOM 742 O LYS A 50 18.138 -26.386 -6.190 1.00 0.00 O ATOM 743 CB LYS A 50 18.469 -23.552 -7.763 1.00 0.00 C ATOM 744 CG LYS A 50 17.953 -22.134 -7.940 1.00 0.00 C ATOM 745 CD LYS A 50 19.020 -21.106 -7.603 1.00 0.00 C ATOM 746 CE LYS A 50 19.944 -20.854 -8.785 1.00 0.00 C ATOM 747 NZ LYS A 50 20.934 -21.952 -8.960 1.00 0.00 N ATOM 0 H LYS A 50 16.933 -23.982 -5.637 1.00 0.00 H new ATOM 0 HA LYS A 50 16.775 -24.643 -8.517 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.121 -23.586 -6.890 1.00 0.00 H new ATOM 0 HB3 LYS A 50 19.079 -23.818 -8.626 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.622 -21.992 -8.969 1.00 0.00 H new ATOM 0 HG3 LYS A 50 17.083 -21.980 -7.301 1.00 0.00 H new ATOM 0 HD2 LYS A 50 18.545 -20.171 -7.305 1.00 0.00 H new ATOM 0 HD3 LYS A 50 19.604 -21.452 -6.750 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.351 -20.752 -9.694 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.470 -19.911 -8.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.895 -21.555 -8.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.841 -22.631 -8.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.758 -22.438 -9.863 1.00 0.00 H new ATOM 761 N PRO A 51 18.308 -26.680 -8.417 1.00 0.00 N ATOM 762 CA PRO A 51 18.906 -28.015 -8.328 1.00 0.00 C ATOM 763 C PRO A 51 20.331 -27.977 -7.786 1.00 0.00 C ATOM 764 O PRO A 51 21.174 -27.230 -8.281 1.00 0.00 O ATOM 765 CB PRO A 51 18.898 -28.504 -9.779 1.00 0.00 C ATOM 766 CG PRO A 51 18.909 -27.260 -10.598 1.00 0.00 C ATOM 767 CD PRO A 51 18.133 -26.239 -9.811 1.00 0.00 C ATOM 0 HA PRO A 51 18.359 -28.662 -7.643 1.00 0.00 H new ATOM 0 HB2 PRO A 51 19.768 -29.126 -9.992 1.00 0.00 H new ATOM 0 HB3 PRO A 51 18.015 -29.108 -9.988 1.00 0.00 H new ATOM 0 HG2 PRO A 51 19.929 -26.921 -10.779 1.00 0.00 H new ATOM 0 HG3 PRO A 51 18.452 -27.431 -11.573 1.00 0.00 H new ATOM 0 HD2 PRO A 51 18.521 -25.232 -9.966 1.00 0.00 H new ATOM 0 HD3 PRO A 51 17.082 -26.223 -10.099 1.00 0.00 H new ATOM 775 N GLY A 52 20.593 -28.788 -6.766 1.00 0.00 N ATOM 776 CA GLY A 52 21.917 -28.832 -6.174 1.00 0.00 C ATOM 777 C GLY A 52 22.175 -27.664 -5.242 1.00 0.00 C ATOM 778 O GLY A 52 23.301 -27.456 -4.792 1.00 0.00 O ATOM 0 H GLY A 52 19.912 -29.416 -6.339 1.00 0.00 H new ATOM 0 HA2 GLY A 52 22.034 -29.765 -5.623 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.666 -28.833 -6.966 1.00 0.00 H new ATOM 782 N LYS A 53 21.128 -26.899 -4.953 1.00 0.00 N ATOM 783 CA LYS A 53 21.244 -25.745 -4.069 1.00 0.00 C ATOM 784 C LYS A 53 20.354 -25.908 -2.841 1.00 0.00 C ATOM 785 O LYS A 53 19.417 -26.706 -2.842 1.00 0.00 O ATOM 786 CB LYS A 53 20.869 -24.463 -4.817 1.00 0.00 C ATOM 787 CG LYS A 53 21.963 -23.956 -5.741 1.00 0.00 C ATOM 788 CD LYS A 53 23.040 -23.210 -4.972 1.00 0.00 C ATOM 789 CE LYS A 53 24.383 -23.281 -5.683 1.00 0.00 C ATOM 790 NZ LYS A 53 25.336 -22.258 -5.171 1.00 0.00 N ATOM 0 H LYS A 53 20.189 -27.057 -5.318 1.00 0.00 H new ATOM 0 HA LYS A 53 22.280 -25.676 -3.738 1.00 0.00 H new ATOM 0 HB2 LYS A 53 19.967 -24.644 -5.401 1.00 0.00 H new ATOM 0 HB3 LYS A 53 20.629 -23.686 -4.091 1.00 0.00 H new ATOM 0 HG2 LYS A 53 22.410 -24.796 -6.273 1.00 0.00 H new ATOM 0 HG3 LYS A 53 21.529 -23.297 -6.493 1.00 0.00 H new ATOM 0 HD2 LYS A 53 22.746 -22.167 -4.851 1.00 0.00 H new ATOM 0 HD3 LYS A 53 23.134 -23.633 -3.972 1.00 0.00 H new ATOM 0 HE2 LYS A 53 24.811 -24.275 -5.552 1.00 0.00 H new ATOM 0 HE3 LYS A 53 24.235 -23.137 -6.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 26.239 -22.339 -5.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 24.939 -21.308 -5.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 25.497 -22.411 -4.155 1.00 0.00 H new ATOM 804 N LYS A 54 20.653 -25.146 -1.794 1.00 0.00 N ATOM 805 CA LYS A 54 19.879 -25.204 -0.560 1.00 0.00 C ATOM 806 C LYS A 54 19.105 -23.908 -0.342 1.00 0.00 C ATOM 807 O LYS A 54 19.678 -22.818 -0.377 1.00 0.00 O ATOM 808 CB LYS A 54 20.801 -25.467 0.633 1.00 0.00 C ATOM 809 CG LYS A 54 20.057 -25.733 1.930 1.00 0.00 C ATOM 810 CD LYS A 54 20.963 -26.366 2.973 1.00 0.00 C ATOM 811 CE LYS A 54 20.160 -27.069 4.056 1.00 0.00 C ATOM 812 NZ LYS A 54 21.034 -27.600 5.139 1.00 0.00 N ATOM 0 H LYS A 54 21.426 -24.481 -1.776 1.00 0.00 H new ATOM 0 HA LYS A 54 19.165 -26.023 -0.647 1.00 0.00 H new ATOM 0 HB2 LYS A 54 21.438 -26.322 0.407 1.00 0.00 H new ATOM 0 HB3 LYS A 54 21.458 -24.608 0.770 1.00 0.00 H new ATOM 0 HG2 LYS A 54 19.653 -24.798 2.317 1.00 0.00 H new ATOM 0 HG3 LYS A 54 19.209 -26.390 1.736 1.00 0.00 H new ATOM 0 HD2 LYS A 54 21.630 -27.081 2.491 1.00 0.00 H new ATOM 0 HD3 LYS A 54 21.591 -25.598 3.425 1.00 0.00 H new ATOM 0 HE2 LYS A 54 19.437 -26.373 4.481 1.00 0.00 H new ATOM 0 HE3 LYS A 54 19.592 -27.888 3.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 20.449 -28.072 5.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 21.708 -28.283 4.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 21.557 -26.816 5.579 1.00 0.00 H new ATOM 826 N LEU A 55 17.802 -24.033 -0.115 1.00 0.00 N ATOM 827 CA LEU A 55 16.950 -22.871 0.111 1.00 0.00 C ATOM 828 C LEU A 55 17.244 -22.235 1.466 1.00 0.00 C ATOM 829 O LEU A 55 17.553 -22.928 2.435 1.00 0.00 O ATOM 830 CB LEU A 55 15.476 -23.272 0.033 1.00 0.00 C ATOM 831 CG LEU A 55 14.875 -23.348 -1.371 1.00 0.00 C ATOM 832 CD1 LEU A 55 13.397 -23.701 -1.301 1.00 0.00 C ATOM 833 CD2 LEU A 55 15.076 -22.032 -2.110 1.00 0.00 C ATOM 0 H LEU A 55 17.313 -24.927 -0.083 1.00 0.00 H new ATOM 0 HA LEU A 55 17.163 -22.139 -0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.359 -24.245 0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 55 14.895 -22.559 0.617 1.00 0.00 H new ATOM 0 HG LEU A 55 15.390 -24.134 -1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.987 -23.751 -2.310 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.277 -24.668 -0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.867 -22.938 -0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.642 -22.105 -3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 55 14.588 -21.227 -1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 55 16.142 -21.820 -2.193 1.00 0.00 H new ATOM 845 N SER A 56 17.144 -20.910 1.527 1.00 0.00 N ATOM 846 CA SER A 56 17.401 -20.180 2.762 1.00 0.00 C ATOM 847 C SER A 56 16.112 -19.585 3.320 1.00 0.00 C ATOM 848 O SER A 56 15.176 -19.295 2.575 1.00 0.00 O ATOM 849 CB SER A 56 18.425 -19.070 2.520 1.00 0.00 C ATOM 850 OG SER A 56 19.314 -19.416 1.472 1.00 0.00 O ATOM 0 H SER A 56 16.887 -20.321 0.735 1.00 0.00 H new ATOM 0 HA SER A 56 17.803 -20.882 3.493 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.909 -18.143 2.272 1.00 0.00 H new ATOM 0 HB3 SER A 56 18.989 -18.886 3.434 1.00 0.00 H new ATOM 0 HG SER A 56 19.958 -18.690 1.336 1.00 0.00 H new ATOM 856 N ASP A 57 16.071 -19.407 4.636 1.00 0.00 N ATOM 857 CA ASP A 57 14.898 -18.845 5.295 1.00 0.00 C ATOM 858 C ASP A 57 14.540 -17.486 4.703 1.00 0.00 C ATOM 859 O ASP A 57 13.384 -17.062 4.747 1.00 0.00 O ATOM 860 CB ASP A 57 15.146 -18.712 6.798 1.00 0.00 C ATOM 861 CG ASP A 57 15.795 -17.391 7.163 1.00 0.00 C ATOM 862 OD1 ASP A 57 15.087 -16.363 7.168 1.00 0.00 O ATOM 863 OD2 ASP A 57 17.012 -17.387 7.443 1.00 0.00 O ATOM 0 H ASP A 57 16.836 -19.644 5.267 1.00 0.00 H new ATOM 0 HA ASP A 57 14.060 -19.523 5.132 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.199 -18.807 7.329 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.783 -19.531 7.132 1.00 0.00 H new ATOM 868 N LEU A 58 15.538 -16.806 4.151 1.00 0.00 N ATOM 869 CA LEU A 58 15.330 -15.493 3.550 1.00 0.00 C ATOM 870 C LEU A 58 14.516 -15.604 2.265 1.00 0.00 C ATOM 871 O LEU A 58 13.705 -14.732 1.956 1.00 0.00 O ATOM 872 CB LEU A 58 16.675 -14.824 3.260 1.00 0.00 C ATOM 873 CG LEU A 58 17.409 -14.240 4.467 1.00 0.00 C ATOM 874 CD1 LEU A 58 16.455 -13.433 5.334 1.00 0.00 C ATOM 875 CD2 LEU A 58 18.063 -15.348 5.280 1.00 0.00 C ATOM 0 H LEU A 58 16.500 -17.142 4.107 1.00 0.00 H new ATOM 0 HA LEU A 58 14.772 -14.881 4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 58 17.327 -15.556 2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 58 16.512 -14.024 2.538 1.00 0.00 H new ATOM 0 HG LEU A 58 18.190 -13.572 4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 58 16.996 -13.025 6.188 1.00 0.00 H new ATOM 0 HD12 LEU A 58 16.033 -12.616 4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 58 15.651 -14.078 5.688 1.00 0.00 H new ATOM 0 HD21 LEU A 58 18.581 -14.914 6.135 1.00 0.00 H new ATOM 0 HD22 LEU A 58 17.299 -16.041 5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 58 18.778 -15.883 4.656 1.00 0.00 H new ATOM 887 N GLU A 59 14.738 -16.684 1.522 1.00 0.00 N ATOM 888 CA GLU A 59 14.024 -16.910 0.271 1.00 0.00 C ATOM 889 C GLU A 59 12.848 -17.860 0.479 1.00 0.00 C ATOM 890 O GLU A 59 11.961 -17.962 -0.367 1.00 0.00 O ATOM 891 CB GLU A 59 14.971 -17.477 -0.788 1.00 0.00 C ATOM 892 CG GLU A 59 16.271 -16.701 -0.920 1.00 0.00 C ATOM 893 CD GLU A 59 16.849 -16.766 -2.321 1.00 0.00 C ATOM 894 OE1 GLU A 59 16.123 -16.429 -3.279 1.00 0.00 O ATOM 895 OE2 GLU A 59 18.028 -17.153 -2.458 1.00 0.00 O ATOM 0 H GLU A 59 15.406 -17.415 1.765 1.00 0.00 H new ATOM 0 HA GLU A 59 13.637 -15.951 -0.074 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.200 -18.514 -0.541 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.462 -17.484 -1.752 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.097 -15.659 -0.651 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.999 -17.096 -0.212 1.00 0.00 H new ATOM 902 N ARG A 60 12.851 -18.555 1.612 1.00 0.00 N ATOM 903 CA ARG A 60 11.787 -19.499 1.932 1.00 0.00 C ATOM 904 C ARG A 60 10.443 -18.785 2.046 1.00 0.00 C ATOM 905 O ARG A 60 10.338 -17.734 2.677 1.00 0.00 O ATOM 906 CB ARG A 60 12.100 -20.231 3.238 1.00 0.00 C ATOM 907 CG ARG A 60 11.333 -21.532 3.407 1.00 0.00 C ATOM 908 CD ARG A 60 12.094 -22.518 4.279 1.00 0.00 C ATOM 909 NE ARG A 60 11.983 -22.192 5.699 1.00 0.00 N ATOM 910 CZ ARG A 60 12.822 -22.643 6.624 1.00 0.00 C ATOM 911 NH1 ARG A 60 13.829 -23.436 6.281 1.00 0.00 N ATOM 912 NH2 ARG A 60 12.656 -22.302 7.895 1.00 0.00 N ATOM 0 H ARG A 60 13.578 -18.482 2.323 1.00 0.00 H new ATOM 0 HA ARG A 60 11.726 -20.226 1.122 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.169 -20.441 3.279 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.872 -19.573 4.077 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.360 -21.327 3.853 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.149 -21.977 2.429 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.712 -23.524 4.107 1.00 0.00 H new ATOM 0 HD3 ARG A 60 13.145 -22.522 3.989 1.00 0.00 H new ATOM 0 HE ARG A 60 11.219 -21.585 5.996 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.960 -23.701 5.305 1.00 0.00 H new ATOM 0 HH12 ARG A 60 14.472 -23.781 6.994 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.883 -21.693 8.163 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.301 -22.649 8.605 1.00 0.00 H new ATOM 926 N VAL A 61 9.417 -19.364 1.430 1.00 0.00 N ATOM 927 CA VAL A 61 8.080 -18.784 1.462 1.00 0.00 C ATOM 928 C VAL A 61 7.140 -19.617 2.327 1.00 0.00 C ATOM 929 O VAL A 61 6.525 -20.573 1.852 1.00 0.00 O ATOM 930 CB VAL A 61 7.486 -18.664 0.046 1.00 0.00 C ATOM 931 CG1 VAL A 61 6.081 -18.082 0.104 1.00 0.00 C ATOM 932 CG2 VAL A 61 8.387 -17.816 -0.839 1.00 0.00 C ATOM 0 H VAL A 61 9.487 -20.234 0.903 1.00 0.00 H new ATOM 0 HA VAL A 61 8.178 -17.787 1.892 1.00 0.00 H new ATOM 0 HB VAL A 61 7.423 -19.662 -0.389 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.677 -18.005 -0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.442 -18.732 0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.116 -17.092 0.558 1.00 0.00 H new ATOM 0 HG21 VAL A 61 7.952 -17.742 -1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.484 -16.819 -0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 61 9.371 -18.279 -0.906 1.00 0.00 H new ATOM 942 N THR A 62 7.033 -19.249 3.599 1.00 0.00 N ATOM 943 CA THR A 62 6.169 -19.962 4.531 1.00 0.00 C ATOM 944 C THR A 62 4.722 -19.501 4.403 1.00 0.00 C ATOM 945 O THR A 62 4.439 -18.481 3.773 1.00 0.00 O ATOM 946 CB THR A 62 6.630 -19.766 5.988 1.00 0.00 C ATOM 947 OG1 THR A 62 6.610 -18.375 6.325 1.00 0.00 O ATOM 948 CG2 THR A 62 8.032 -20.322 6.191 1.00 0.00 C ATOM 0 H THR A 62 7.534 -18.460 4.008 1.00 0.00 H new ATOM 0 HA THR A 62 6.235 -21.020 4.275 1.00 0.00 H new ATOM 0 HB THR A 62 5.943 -20.307 6.639 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.903 -18.259 7.253 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.336 -20.172 7.227 1.00 0.00 H new ATOM 0 HG22 THR A 62 8.038 -21.388 5.961 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.728 -19.805 5.530 1.00 0.00 H new ATOM 956 N SER A 63 3.808 -20.257 5.003 1.00 0.00 N ATOM 957 CA SER A 63 2.389 -19.927 4.953 1.00 0.00 C ATOM 958 C SER A 63 2.135 -18.533 5.519 1.00 0.00 C ATOM 959 O SER A 63 1.258 -17.808 5.047 1.00 0.00 O ATOM 960 CB SER A 63 1.575 -20.962 5.731 1.00 0.00 C ATOM 961 OG SER A 63 1.916 -20.949 7.107 1.00 0.00 O ATOM 0 H SER A 63 4.025 -21.103 5.530 1.00 0.00 H new ATOM 0 HA SER A 63 2.075 -19.939 3.909 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.511 -20.755 5.615 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.753 -21.955 5.318 1.00 0.00 H new ATOM 0 HG SER A 63 1.381 -21.618 7.583 1.00 0.00 H new ATOM 967 N LEU A 64 2.909 -18.164 6.534 1.00 0.00 N ATOM 968 CA LEU A 64 2.769 -16.856 7.166 1.00 0.00 C ATOM 969 C LEU A 64 3.252 -15.748 6.237 1.00 0.00 C ATOM 970 O LEU A 64 2.631 -14.689 6.139 1.00 0.00 O ATOM 971 CB LEU A 64 3.554 -16.816 8.478 1.00 0.00 C ATOM 972 CG LEU A 64 3.552 -15.480 9.221 1.00 0.00 C ATOM 973 CD1 LEU A 64 2.131 -15.060 9.561 1.00 0.00 C ATOM 974 CD2 LEU A 64 4.400 -15.569 10.482 1.00 0.00 C ATOM 0 H LEU A 64 3.639 -18.751 6.937 1.00 0.00 H new ATOM 0 HA LEU A 64 1.712 -16.692 7.377 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.150 -17.579 9.143 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.588 -17.091 8.268 1.00 0.00 H new ATOM 0 HG LEU A 64 3.986 -14.723 8.568 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.150 -14.107 10.090 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.553 -14.954 8.643 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.670 -15.817 10.195 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.387 -14.609 10.998 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.996 -16.339 11.139 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.426 -15.823 10.214 1.00 0.00 H new ATOM 986 N LYS A 65 4.365 -15.998 5.554 1.00 0.00 N ATOM 987 CA LYS A 65 4.931 -15.023 4.629 1.00 0.00 C ATOM 988 C LYS A 65 3.931 -14.669 3.533 1.00 0.00 C ATOM 989 O LYS A 65 3.844 -13.517 3.108 1.00 0.00 O ATOM 990 CB LYS A 65 6.217 -15.570 4.004 1.00 0.00 C ATOM 991 CG LYS A 65 7.466 -15.251 4.807 1.00 0.00 C ATOM 992 CD LYS A 65 8.718 -15.772 4.121 1.00 0.00 C ATOM 993 CE LYS A 65 9.820 -16.072 5.125 1.00 0.00 C ATOM 994 NZ LYS A 65 9.626 -17.393 5.784 1.00 0.00 N ATOM 0 H LYS A 65 4.893 -16.868 5.624 1.00 0.00 H new ATOM 0 HA LYS A 65 5.163 -14.118 5.190 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.129 -16.651 3.899 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.326 -15.160 3.000 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.547 -14.173 4.943 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.384 -15.692 5.800 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.478 -16.676 3.562 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.072 -15.035 3.400 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.786 -16.057 4.620 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.844 -15.289 5.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.084 -17.386 6.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.609 -17.578 5.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.049 -18.140 5.196 1.00 0.00 H new ATOM 1008 N VAL A 66 3.178 -15.666 3.080 1.00 0.00 N ATOM 1009 CA VAL A 66 2.182 -15.459 2.035 1.00 0.00 C ATOM 1010 C VAL A 66 1.069 -14.533 2.513 1.00 0.00 C ATOM 1011 O VAL A 66 0.603 -13.670 1.769 1.00 0.00 O ATOM 1012 CB VAL A 66 1.564 -16.793 1.576 1.00 0.00 C ATOM 1013 CG1 VAL A 66 0.483 -16.550 0.534 1.00 0.00 C ATOM 1014 CG2 VAL A 66 2.642 -17.719 1.033 1.00 0.00 C ATOM 0 H VAL A 66 3.239 -16.626 3.420 1.00 0.00 H new ATOM 0 HA VAL A 66 2.698 -14.998 1.193 1.00 0.00 H new ATOM 0 HB VAL A 66 1.102 -17.276 2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.058 -17.504 0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.301 -15.926 0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.917 -16.046 -0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.188 -18.657 0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.134 -17.246 0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.377 -17.919 1.813 1.00 0.00 H new ATOM 1024 N TYR A 67 0.646 -14.719 3.759 1.00 0.00 N ATOM 1025 CA TYR A 67 -0.414 -13.902 4.336 1.00 0.00 C ATOM 1026 C TYR A 67 0.031 -12.450 4.475 1.00 0.00 C ATOM 1027 O TYR A 67 -0.761 -11.526 4.293 1.00 0.00 O ATOM 1028 CB TYR A 67 -0.826 -14.454 5.702 1.00 0.00 C ATOM 1029 CG TYR A 67 -2.039 -13.771 6.291 1.00 0.00 C ATOM 1030 CD1 TYR A 67 -3.214 -13.645 5.559 1.00 0.00 C ATOM 1031 CD2 TYR A 67 -2.012 -13.252 7.579 1.00 0.00 C ATOM 1032 CE1 TYR A 67 -4.324 -13.021 6.093 1.00 0.00 C ATOM 1033 CE2 TYR A 67 -3.118 -12.628 8.122 1.00 0.00 C ATOM 1034 CZ TYR A 67 -4.272 -12.514 7.375 1.00 0.00 C ATOM 1035 OH TYR A 67 -5.377 -11.893 7.910 1.00 0.00 O ATOM 0 H TYR A 67 1.021 -15.429 4.388 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.271 -13.937 3.664 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.031 -15.520 5.607 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.010 -14.350 6.393 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.259 -14.042 4.556 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.110 -13.338 8.167 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.229 -12.930 5.510 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.080 -12.232 9.126 1.00 0.00 H new ATOM 0 HH TYR A 67 -5.175 -11.594 8.821 1.00 0.00 H new ATOM 1045 N ASN A 68 1.306 -12.257 4.799 1.00 0.00 N ATOM 1046 CA ASN A 68 1.859 -10.918 4.963 1.00 0.00 C ATOM 1047 C ASN A 68 1.794 -10.138 3.653 1.00 0.00 C ATOM 1048 O ASN A 68 1.422 -8.965 3.635 1.00 0.00 O ATOM 1049 CB ASN A 68 3.307 -10.997 5.451 1.00 0.00 C ATOM 1050 CG ASN A 68 3.407 -11.006 6.964 1.00 0.00 C ATOM 1051 OD1 ASN A 68 2.565 -10.434 7.657 1.00 0.00 O ATOM 1052 ND2 ASN A 68 4.440 -11.658 7.485 1.00 0.00 N ATOM 0 H ASN A 68 1.975 -13.011 4.953 1.00 0.00 H new ATOM 0 HA ASN A 68 1.260 -10.394 5.708 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.773 -11.899 5.053 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.867 -10.149 5.058 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.559 -11.699 8.497 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.114 -12.118 6.873 1.00 0.00 H new ATOM 1059 N TRP A 69 2.157 -10.799 2.560 1.00 0.00 N ATOM 1060 CA TRP A 69 2.140 -10.168 1.245 1.00 0.00 C ATOM 1061 C TRP A 69 0.711 -9.885 0.796 1.00 0.00 C ATOM 1062 O TRP A 69 0.410 -8.800 0.297 1.00 0.00 O ATOM 1063 CB TRP A 69 2.842 -11.060 0.219 1.00 0.00 C ATOM 1064 CG TRP A 69 2.826 -10.496 -1.169 1.00 0.00 C ATOM 1065 CD1 TRP A 69 3.842 -9.837 -1.798 1.00 0.00 C ATOM 1066 CD2 TRP A 69 1.738 -10.541 -2.099 1.00 0.00 C ATOM 1067 NE1 TRP A 69 3.452 -9.468 -3.063 1.00 0.00 N ATOM 1068 CE2 TRP A 69 2.166 -9.889 -3.272 1.00 0.00 C ATOM 1069 CE3 TRP A 69 0.445 -11.069 -2.055 1.00 0.00 C ATOM 1070 CZ2 TRP A 69 1.345 -9.753 -4.389 1.00 0.00 C ATOM 1071 CZ3 TRP A 69 -0.368 -10.932 -3.164 1.00 0.00 C ATOM 1072 CH2 TRP A 69 0.084 -10.279 -4.318 1.00 0.00 C ATOM 0 H TRP A 69 2.466 -11.771 2.558 1.00 0.00 H new ATOM 0 HA TRP A 69 2.673 -9.220 1.318 1.00 0.00 H new ATOM 0 HB2 TRP A 69 3.876 -11.214 0.529 1.00 0.00 H new ATOM 0 HB3 TRP A 69 2.363 -12.039 0.211 1.00 0.00 H new ATOM 0 HD1 TRP A 69 4.811 -9.635 -1.365 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.027 -8.963 -3.737 1.00 0.00 H new ATOM 0 HE3 TRP A 69 0.088 -11.575 -1.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.692 -9.250 -5.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -1.370 -11.335 -3.141 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -0.576 -10.189 -5.168 1.00 0.00 H new ATOM 1083 N PHE A 70 -0.167 -10.866 0.976 1.00 0.00 N ATOM 1084 CA PHE A 70 -1.565 -10.722 0.588 1.00 0.00 C ATOM 1085 C PHE A 70 -2.223 -9.569 1.343 1.00 0.00 C ATOM 1086 O PHE A 70 -2.884 -8.720 0.746 1.00 0.00 O ATOM 1087 CB PHE A 70 -2.328 -12.021 0.855 1.00 0.00 C ATOM 1088 CG PHE A 70 -2.327 -12.966 -0.312 1.00 0.00 C ATOM 1089 CD1 PHE A 70 -1.148 -13.548 -0.750 1.00 0.00 C ATOM 1090 CD2 PHE A 70 -3.506 -13.273 -0.973 1.00 0.00 C ATOM 1091 CE1 PHE A 70 -1.145 -14.419 -1.823 1.00 0.00 C ATOM 1092 CE2 PHE A 70 -3.509 -14.143 -2.046 1.00 0.00 C ATOM 1093 CZ PHE A 70 -2.326 -14.716 -2.473 1.00 0.00 C ATOM 0 H PHE A 70 0.065 -11.770 1.388 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.598 -10.502 -0.479 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.888 -12.521 1.718 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.358 -11.781 1.117 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.220 -13.318 -0.247 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.433 -12.827 -0.645 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.219 -14.867 -2.153 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.435 -14.375 -2.551 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.326 -15.395 -3.313 1.00 0.00 H new ATOM 1103 N ALA A 71 -2.035 -9.548 2.658 1.00 0.00 N ATOM 1104 CA ALA A 71 -2.608 -8.501 3.494 1.00 0.00 C ATOM 1105 C ALA A 71 -2.030 -7.136 3.137 1.00 0.00 C ATOM 1106 O ALA A 71 -2.759 -6.150 3.038 1.00 0.00 O ATOM 1107 CB ALA A 71 -2.368 -8.809 4.965 1.00 0.00 C ATOM 0 H ALA A 71 -1.490 -10.244 3.167 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.682 -8.471 3.311 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.801 -8.018 5.578 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.834 -9.761 5.218 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.296 -8.868 5.154 1.00 0.00 H new ATOM 1113 N ASN A 72 -0.716 -7.086 2.946 1.00 0.00 N ATOM 1114 CA ASN A 72 -0.040 -5.841 2.601 1.00 0.00 C ATOM 1115 C ASN A 72 -0.519 -5.318 1.250 1.00 0.00 C ATOM 1116 O ASN A 72 -0.624 -4.109 1.043 1.00 0.00 O ATOM 1117 CB ASN A 72 1.476 -6.050 2.571 1.00 0.00 C ATOM 1118 CG ASN A 72 2.242 -4.756 2.767 1.00 0.00 C ATOM 1119 OD1 ASN A 72 2.340 -3.935 1.855 1.00 0.00 O ATOM 1120 ND2 ASN A 72 2.790 -4.569 3.962 1.00 0.00 N ATOM 0 H ASN A 72 -0.098 -7.894 3.024 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.283 -5.102 3.364 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.758 -6.758 3.351 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.760 -6.496 1.618 1.00 0.00 H new ATOM 0 HD21 ASN A 72 3.318 -3.717 4.153 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.683 -5.277 4.689 1.00 0.00 H new ATOM 1127 N ARG A 73 -0.809 -6.237 0.335 1.00 0.00 N ATOM 1128 CA ARG A 73 -1.277 -5.869 -0.996 1.00 0.00 C ATOM 1129 C ARG A 73 -2.723 -5.383 -0.949 1.00 0.00 C ATOM 1130 O ARG A 73 -3.059 -4.346 -1.521 1.00 0.00 O ATOM 1131 CB ARG A 73 -1.159 -7.060 -1.948 1.00 0.00 C ATOM 1132 CG ARG A 73 -0.956 -6.660 -3.401 1.00 0.00 C ATOM 1133 CD ARG A 73 -2.252 -6.174 -4.031 1.00 0.00 C ATOM 1134 NE ARG A 73 -3.039 -7.274 -4.581 1.00 0.00 N ATOM 1135 CZ ARG A 73 -2.627 -8.044 -5.582 1.00 0.00 C ATOM 1136 NH1 ARG A 73 -1.442 -7.834 -6.140 1.00 0.00 N ATOM 1137 NH2 ARG A 73 -3.400 -9.025 -6.028 1.00 0.00 N ATOM 0 H ARG A 73 -0.728 -7.242 0.491 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.650 -5.056 -1.362 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -0.324 -7.686 -1.632 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.060 -7.668 -1.870 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.204 -5.874 -3.461 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.573 -7.511 -3.964 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.842 -5.644 -3.283 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.025 -5.460 -4.822 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.955 -7.461 -4.174 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.845 -7.080 -5.801 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.128 -8.427 -6.908 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.312 -9.189 -5.602 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.082 -9.615 -6.797 1.00 0.00 H new ATOM 1151 N ARG A 74 -3.574 -6.140 -0.264 1.00 0.00 N ATOM 1152 CA ARG A 74 -4.984 -5.788 -0.143 1.00 0.00 C ATOM 1153 C ARG A 74 -5.146 -4.386 0.438 1.00 0.00 C ATOM 1154 O ARG A 74 -5.918 -3.575 -0.075 1.00 0.00 O ATOM 1155 CB ARG A 74 -5.712 -6.804 0.738 1.00 0.00 C ATOM 1156 CG ARG A 74 -5.916 -8.154 0.069 1.00 0.00 C ATOM 1157 CD ARG A 74 -7.065 -8.922 0.703 1.00 0.00 C ATOM 1158 NE ARG A 74 -6.757 -9.341 2.068 1.00 0.00 N ATOM 1159 CZ ARG A 74 -6.090 -10.451 2.363 1.00 0.00 C ATOM 1160 NH1 ARG A 74 -5.663 -11.249 1.394 1.00 0.00 N ATOM 1161 NH2 ARG A 74 -5.848 -10.764 3.629 1.00 0.00 N ATOM 0 H ARG A 74 -3.312 -7.001 0.216 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.423 -5.803 -1.141 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.146 -6.946 1.658 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.683 -6.397 1.021 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.116 -8.009 -0.993 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.000 -8.740 0.143 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.959 -8.298 0.708 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.292 -9.799 0.097 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.071 -8.749 2.837 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.847 -11.011 0.419 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.151 -12.101 1.623 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.174 -10.152 4.377 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.336 -11.617 3.855 1.00 0.00 H new ATOM 1175 N LYS A 75 -4.414 -4.108 1.511 1.00 0.00 N ATOM 1176 CA LYS A 75 -4.476 -2.805 2.162 1.00 0.00 C ATOM 1177 C LYS A 75 -3.942 -1.711 1.243 1.00 0.00 C ATOM 1178 O LYS A 75 -4.409 -0.573 1.281 1.00 0.00 O ATOM 1179 CB LYS A 75 -3.675 -2.825 3.466 1.00 0.00 C ATOM 1180 CG LYS A 75 -2.171 -2.844 3.256 1.00 0.00 C ATOM 1181 CD LYS A 75 -1.423 -2.618 4.559 1.00 0.00 C ATOM 1182 CE LYS A 75 -1.668 -3.749 5.546 1.00 0.00 C ATOM 1183 NZ LYS A 75 -2.854 -3.486 6.408 1.00 0.00 N ATOM 0 H LYS A 75 -3.771 -4.768 1.948 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.520 -2.589 2.387 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.940 -1.949 4.058 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.963 -3.701 4.046 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.875 -3.801 2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.893 -2.073 2.538 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.355 -2.535 4.357 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.738 -1.673 5.001 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.815 -4.681 5.001 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.786 -3.882 6.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.563 -3.482 7.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.264 -2.562 6.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.564 -4.231 6.258 1.00 0.00 H new