USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=11 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 Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -49:sc= -3.8 USER MOD Single : A 22 MET CE :methyl -163:sc= -17.5! (180deg=-20.6!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 30:sc= -0.0758 USER MOD Single : A 27 ASN : amide:sc= 0.726 K(o=0.73,f=-0.5) USER MOD Single : A 29 ASN : amide:sc= -1.17 K(o=-1.2,f=-9.4!) USER MOD Single : A 30 GLN : amide:sc= -7.27! 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+ -118:sc= -0.0313 (180deg=-2.03!) USER MOD Single : A 42 ASN : amide:sc= 0.774 K(o=0.77,f=-0.29) USER MOD Single : A 44 CYS SG : rot 180:sc= -2.18 USER MOD Single : A 45 ASN : amide:sc= -1.44 K(o=-1.4,f=-11!) USER MOD Single : A 49 GLN : amide:sc= -1.62 X(o=-1.6,f=-1.3) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.0627 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.2!) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 166 N TRP A 14 10.856 -10.116 -2.039 1.00 0.00 N ATOM 167 CA TRP A 14 9.912 -11.009 -2.703 1.00 0.00 C ATOM 168 C TRP A 14 10.350 -11.296 -4.135 1.00 0.00 C ATOM 169 O TRP A 14 10.281 -10.425 -5.002 1.00 0.00 O ATOM 170 CB TRP A 14 8.511 -10.397 -2.698 1.00 0.00 C ATOM 171 CG TRP A 14 7.703 -10.771 -1.493 1.00 0.00 C ATOM 172 CD1 TRP A 14 7.350 -9.954 -0.457 1.00 0.00 C ATOM 173 CD2 TRP A 14 7.149 -12.058 -1.198 1.00 0.00 C ATOM 174 NE1 TRP A 14 6.610 -10.656 0.465 1.00 0.00 N ATOM 175 CE2 TRP A 14 6.473 -11.949 0.033 1.00 0.00 C ATOM 176 CE3 TRP A 14 7.158 -13.292 -1.854 1.00 0.00 C ATOM 177 CZ2 TRP A 14 5.813 -13.027 0.618 1.00 0.00 C ATOM 178 CZ3 TRP A 14 6.503 -14.361 -1.272 1.00 0.00 C ATOM 179 CH2 TRP A 14 5.838 -14.223 -0.047 1.00 0.00 C ATOM 0 HA TRP A 14 9.892 -11.950 -2.154 1.00 0.00 H new ATOM 0 HB2 TRP A 14 8.597 -9.311 -2.746 1.00 0.00 H new ATOM 0 HB3 TRP A 14 7.980 -10.715 -3.595 1.00 0.00 H new ATOM 0 HD1 TRP A 14 7.613 -8.910 -0.374 1.00 0.00 H new ATOM 0 HE1 TRP A 14 6.226 -10.276 1.330 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.668 -13.408 -2.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.300 -12.923 1.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 6.504 -15.319 -1.770 1.00 0.00 H new ATOM 0 HH2 TRP A 14 5.335 -15.077 0.381 1.00 0.00 H new ATOM 190 N ARG A 15 10.801 -12.523 -4.376 1.00 0.00 N ATOM 191 CA ARG A 15 11.251 -12.925 -5.703 1.00 0.00 C ATOM 192 C ARG A 15 10.130 -12.774 -6.726 1.00 0.00 C ATOM 193 O ARG A 15 8.958 -12.990 -6.416 1.00 0.00 O ATOM 194 CB ARG A 15 11.745 -14.372 -5.681 1.00 0.00 C ATOM 195 CG ARG A 15 13.040 -14.563 -4.909 1.00 0.00 C ATOM 196 CD ARG A 15 12.866 -14.222 -3.437 1.00 0.00 C ATOM 197 NE ARG A 15 14.034 -14.600 -2.646 1.00 0.00 N ATOM 198 CZ ARG A 15 15.138 -13.866 -2.567 1.00 0.00 C ATOM 199 NH1 ARG A 15 15.224 -12.720 -3.228 1.00 0.00 N ATOM 200 NH2 ARG A 15 16.159 -14.277 -1.826 1.00 0.00 N ATOM 0 H ARG A 15 10.864 -13.256 -3.669 1.00 0.00 H new ATOM 0 HA ARG A 15 12.074 -12.272 -5.993 1.00 0.00 H new ATOM 0 HB2 ARG A 15 10.973 -15.004 -5.241 1.00 0.00 H new ATOM 0 HB3 ARG A 15 11.890 -14.713 -6.706 1.00 0.00 H new ATOM 0 HG2 ARG A 15 13.375 -15.596 -5.007 1.00 0.00 H new ATOM 0 HG3 ARG A 15 13.818 -13.933 -5.340 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.688 -13.152 -3.331 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.985 -14.732 -3.048 1.00 0.00 H new ATOM 0 HE ARG A 15 14.000 -15.476 -2.125 1.00 0.00 H new ATOM 0 HH11 ARG A 15 14.441 -12.400 -3.799 1.00 0.00 H new ATOM 0 HH12 ARG A 15 16.073 -12.158 -3.166 1.00 0.00 H new ATOM 0 HH21 ARG A 15 16.097 -15.158 -1.316 1.00 0.00 H new ATOM 0 HH22 ARG A 15 17.006 -13.712 -1.767 1.00 0.00 H new ATOM 214 N LYS A 16 10.496 -12.400 -7.947 1.00 0.00 N ATOM 215 CA LYS A 16 9.522 -12.220 -9.018 1.00 0.00 C ATOM 216 C LYS A 16 8.729 -13.502 -9.253 1.00 0.00 C ATOM 217 O LYS A 16 7.563 -13.458 -9.643 1.00 0.00 O ATOM 218 CB LYS A 16 10.226 -11.799 -10.310 1.00 0.00 C ATOM 219 CG LYS A 16 10.527 -10.312 -10.381 1.00 0.00 C ATOM 220 CD LYS A 16 11.886 -9.988 -9.783 1.00 0.00 C ATOM 221 CE LYS A 16 12.186 -8.499 -9.854 1.00 0.00 C ATOM 222 NZ LYS A 16 11.563 -7.753 -8.726 1.00 0.00 N ATOM 0 H LYS A 16 11.461 -12.215 -8.220 1.00 0.00 H new ATOM 0 HA LYS A 16 8.829 -11.435 -8.717 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.159 -12.355 -10.403 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.603 -12.076 -11.160 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.498 -9.983 -11.420 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.753 -9.758 -9.850 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.915 -10.317 -8.744 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.660 -10.542 -10.315 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.265 -8.345 -9.839 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.820 -8.100 -10.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.791 -6.742 -8.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.531 -7.879 -8.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.931 -8.117 -7.824 1.00 0.00 H new ATOM 236 N GLU A 17 9.370 -14.641 -9.011 1.00 0.00 N ATOM 237 CA GLU A 17 8.722 -15.935 -9.196 1.00 0.00 C ATOM 238 C GLU A 17 7.650 -16.163 -8.135 1.00 0.00 C ATOM 239 O GLU A 17 6.539 -16.596 -8.443 1.00 0.00 O ATOM 240 CB GLU A 17 9.757 -17.060 -9.141 1.00 0.00 C ATOM 241 CG GLU A 17 10.955 -16.831 -10.048 1.00 0.00 C ATOM 242 CD GLU A 17 12.000 -15.931 -9.418 1.00 0.00 C ATOM 243 OE1 GLU A 17 12.777 -16.424 -8.574 1.00 0.00 O ATOM 244 OE2 GLU A 17 12.040 -14.733 -9.769 1.00 0.00 O ATOM 0 H GLU A 17 10.336 -14.695 -8.687 1.00 0.00 H new ATOM 0 HA GLU A 17 8.245 -15.937 -10.176 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.106 -17.172 -8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.276 -17.998 -9.418 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.409 -17.791 -10.294 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.617 -16.389 -10.985 1.00 0.00 H new ATOM 251 N CYS A 18 7.991 -15.870 -6.885 1.00 0.00 N ATOM 252 CA CYS A 18 7.058 -16.045 -5.777 1.00 0.00 C ATOM 253 C CYS A 18 5.924 -15.028 -5.856 1.00 0.00 C ATOM 254 O CYS A 18 4.821 -15.272 -5.364 1.00 0.00 O ATOM 255 CB CYS A 18 7.790 -15.908 -4.441 1.00 0.00 C ATOM 256 SG CYS A 18 9.299 -16.896 -4.322 1.00 0.00 S ATOM 0 H CYS A 18 8.906 -15.510 -6.613 1.00 0.00 H new ATOM 0 HA CYS A 18 6.630 -17.045 -5.848 1.00 0.00 H new ATOM 0 HB2 CYS A 18 8.042 -14.859 -4.283 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.114 -16.199 -3.637 1.00 0.00 H new ATOM 0 HG CYS A 18 9.049 -18.117 -4.692 1.00 0.00 H new ATOM 262 N LEU A 19 6.201 -13.887 -6.477 1.00 0.00 N ATOM 263 CA LEU A 19 5.204 -12.831 -6.620 1.00 0.00 C ATOM 264 C LEU A 19 4.171 -13.197 -7.681 1.00 0.00 C ATOM 265 O LEU A 19 2.973 -12.988 -7.493 1.00 0.00 O ATOM 266 CB LEU A 19 5.882 -11.509 -6.985 1.00 0.00 C ATOM 267 CG LEU A 19 6.677 -10.832 -5.869 1.00 0.00 C ATOM 268 CD1 LEU A 19 7.204 -9.482 -6.333 1.00 0.00 C ATOM 269 CD2 LEU A 19 5.818 -10.672 -4.623 1.00 0.00 C ATOM 0 H LEU A 19 7.108 -13.669 -6.890 1.00 0.00 H new ATOM 0 HA LEU A 19 4.691 -12.717 -5.665 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.553 -11.688 -7.825 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.116 -10.815 -7.331 1.00 0.00 H new ATOM 0 HG LEU A 19 7.528 -11.465 -5.620 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.767 -9.014 -5.526 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.855 -9.623 -7.196 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.367 -8.841 -6.610 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.401 -10.188 -3.839 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.947 -10.060 -4.858 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.490 -11.653 -4.279 1.00 0.00 H new ATOM 281 N ALA A 20 4.644 -13.747 -8.795 1.00 0.00 N ATOM 282 CA ALA A 20 3.761 -14.146 -9.883 1.00 0.00 C ATOM 283 C ALA A 20 2.749 -15.187 -9.416 1.00 0.00 C ATOM 284 O ALA A 20 1.576 -15.135 -9.784 1.00 0.00 O ATOM 285 CB ALA A 20 4.574 -14.684 -11.052 1.00 0.00 C ATOM 0 H ALA A 20 5.633 -13.926 -8.967 1.00 0.00 H new ATOM 0 HA ALA A 20 3.210 -13.265 -10.212 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.902 -14.978 -11.858 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.253 -13.910 -11.410 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.151 -15.550 -10.726 1.00 0.00 H new ATOM 291 N VAL A 21 3.212 -16.133 -8.605 1.00 0.00 N ATOM 292 CA VAL A 21 2.347 -17.186 -8.087 1.00 0.00 C ATOM 293 C VAL A 21 1.342 -16.629 -7.085 1.00 0.00 C ATOM 294 O VAL A 21 0.191 -17.061 -7.040 1.00 0.00 O ATOM 295 CB VAL A 21 3.165 -18.302 -7.411 1.00 0.00 C ATOM 296 CG1 VAL A 21 2.249 -19.413 -6.920 1.00 0.00 C ATOM 297 CG2 VAL A 21 4.213 -18.849 -8.368 1.00 0.00 C ATOM 0 H VAL A 21 4.181 -16.192 -8.293 1.00 0.00 H new ATOM 0 HA VAL A 21 1.812 -17.604 -8.940 1.00 0.00 H new ATOM 0 HB VAL A 21 3.679 -17.879 -6.548 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.845 -20.193 -6.445 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.540 -19.008 -6.198 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.705 -19.836 -7.765 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.782 -19.637 -7.873 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.722 -19.256 -9.252 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.888 -18.047 -8.666 1.00 0.00 H new ATOM 307 N MET A 22 1.786 -15.666 -6.283 1.00 0.00 N ATOM 308 CA MET A 22 0.924 -15.049 -5.282 1.00 0.00 C ATOM 309 C MET A 22 -0.259 -14.347 -5.941 1.00 0.00 C ATOM 310 O MET A 22 -1.379 -14.390 -5.434 1.00 0.00 O ATOM 311 CB MET A 22 1.720 -14.050 -4.440 1.00 0.00 C ATOM 312 CG MET A 22 2.363 -14.669 -3.209 1.00 0.00 C ATOM 313 SD MET A 22 2.623 -13.473 -1.885 1.00 0.00 S ATOM 314 CE MET A 22 4.136 -12.686 -2.431 1.00 0.00 C ATOM 0 H MET A 22 2.737 -15.297 -6.307 1.00 0.00 H new ATOM 0 HA MET A 22 0.541 -15.837 -4.633 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.497 -13.603 -5.060 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.058 -13.243 -4.127 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.732 -15.479 -2.843 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.320 -15.111 -3.487 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.588 -12.149 -1.597 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.830 -13.444 -2.794 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.912 -11.985 -3.235 1.00 0.00 H new ATOM 324 N GLU A 23 -0.001 -13.700 -7.074 1.00 0.00 N ATOM 325 CA GLU A 23 -1.046 -12.988 -7.801 1.00 0.00 C ATOM 326 C GLU A 23 -2.098 -13.958 -8.331 1.00 0.00 C ATOM 327 O GLU A 23 -3.293 -13.664 -8.315 1.00 0.00 O ATOM 328 CB GLU A 23 -0.440 -12.193 -8.959 1.00 0.00 C ATOM 329 CG GLU A 23 0.012 -10.796 -8.568 1.00 0.00 C ATOM 330 CD GLU A 23 1.163 -10.295 -9.418 1.00 0.00 C ATOM 331 OE1 GLU A 23 0.900 -9.698 -10.482 1.00 0.00 O ATOM 332 OE2 GLU A 23 2.328 -10.501 -9.018 1.00 0.00 O ATOM 0 H GLU A 23 0.921 -13.654 -7.508 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.529 -12.298 -7.109 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.412 -12.743 -9.359 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.175 -12.117 -9.760 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.828 -10.108 -8.659 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.312 -10.795 -7.520 1.00 0.00 H new ATOM 339 N SER A 24 -1.643 -15.116 -8.800 1.00 0.00 N ATOM 340 CA SER A 24 -2.544 -16.128 -9.339 1.00 0.00 C ATOM 341 C SER A 24 -3.572 -16.553 -8.295 1.00 0.00 C ATOM 342 O SER A 24 -4.775 -16.558 -8.558 1.00 0.00 O ATOM 343 CB SER A 24 -1.750 -17.347 -9.814 1.00 0.00 C ATOM 344 OG SER A 24 -2.612 -18.424 -10.136 1.00 0.00 O ATOM 0 H SER A 24 -0.657 -15.376 -8.818 1.00 0.00 H new ATOM 0 HA SER A 24 -3.072 -15.693 -10.188 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.155 -17.080 -10.687 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.052 -17.656 -9.036 1.00 0.00 H new ATOM 0 HG SER A 24 -2.080 -19.190 -10.438 1.00 0.00 H new ATOM 350 N TYR A 25 -3.089 -16.907 -7.109 1.00 0.00 N ATOM 351 CA TYR A 25 -3.965 -17.335 -6.025 1.00 0.00 C ATOM 352 C TYR A 25 -4.863 -16.191 -5.566 1.00 0.00 C ATOM 353 O TYR A 25 -6.005 -16.407 -5.158 1.00 0.00 O ATOM 354 CB TYR A 25 -3.137 -17.853 -4.847 1.00 0.00 C ATOM 355 CG TYR A 25 -2.736 -19.305 -4.981 1.00 0.00 C ATOM 356 CD1 TYR A 25 -1.825 -19.707 -5.949 1.00 0.00 C ATOM 357 CD2 TYR A 25 -3.269 -20.274 -4.140 1.00 0.00 C ATOM 358 CE1 TYR A 25 -1.456 -21.033 -6.076 1.00 0.00 C ATOM 359 CE2 TYR A 25 -2.904 -21.601 -4.258 1.00 0.00 C ATOM 360 CZ TYR A 25 -1.998 -21.976 -5.227 1.00 0.00 C ATOM 361 OH TYR A 25 -1.633 -23.297 -5.349 1.00 0.00 O ATOM 0 H TYR A 25 -2.096 -16.906 -6.874 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.597 -18.141 -6.399 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.238 -17.244 -4.750 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.709 -17.726 -3.928 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.398 -18.971 -6.614 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.981 -19.985 -3.381 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.748 -21.329 -6.835 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.326 -22.341 -3.594 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.716 -23.353 -5.690 1.00 0.00 H new ATOM 371 N PHE A 26 -4.339 -14.972 -5.635 1.00 0.00 N ATOM 372 CA PHE A 26 -5.092 -13.792 -5.226 1.00 0.00 C ATOM 373 C PHE A 26 -6.264 -13.540 -6.171 1.00 0.00 C ATOM 374 O PHE A 26 -7.338 -13.118 -5.745 1.00 0.00 O ATOM 375 CB PHE A 26 -4.178 -12.565 -5.191 1.00 0.00 C ATOM 376 CG PHE A 26 -4.811 -11.365 -4.547 1.00 0.00 C ATOM 377 CD1 PHE A 26 -5.913 -10.753 -5.122 1.00 0.00 C ATOM 378 CD2 PHE A 26 -4.303 -10.848 -3.365 1.00 0.00 C ATOM 379 CE1 PHE A 26 -6.497 -9.648 -4.531 1.00 0.00 C ATOM 380 CE2 PHE A 26 -4.883 -9.744 -2.770 1.00 0.00 C ATOM 381 CZ PHE A 26 -5.981 -9.143 -3.354 1.00 0.00 C ATOM 0 H PHE A 26 -3.396 -14.775 -5.970 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.486 -13.972 -4.226 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.265 -12.817 -4.652 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.887 -12.310 -6.210 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.321 -11.144 -6.043 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.444 -11.313 -2.904 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -7.356 -9.180 -4.989 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.478 -9.351 -1.849 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.435 -8.280 -2.891 1.00 0.00 H new ATOM 391 N ASN A 27 -6.047 -13.803 -7.456 1.00 0.00 N ATOM 392 CA ASN A 27 -7.084 -13.604 -8.461 1.00 0.00 C ATOM 393 C ASN A 27 -8.260 -14.547 -8.224 1.00 0.00 C ATOM 394 O ASN A 27 -9.415 -14.180 -8.437 1.00 0.00 O ATOM 395 CB ASN A 27 -6.513 -13.826 -9.864 1.00 0.00 C ATOM 396 CG ASN A 27 -5.816 -12.593 -10.405 1.00 0.00 C ATOM 397 OD1 ASN A 27 -6.462 -11.666 -10.895 1.00 0.00 O ATOM 398 ND2 ASN A 27 -4.491 -12.577 -10.320 1.00 0.00 N ATOM 0 H ASN A 27 -5.163 -14.154 -7.825 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.442 -12.578 -8.379 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.808 -14.657 -9.839 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.319 -14.111 -10.541 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.967 -11.774 -10.669 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.997 -13.368 -9.906 1.00 0.00 H new ATOM 405 N GLU A 28 -7.956 -15.764 -7.782 1.00 0.00 N ATOM 406 CA GLU A 28 -8.988 -16.759 -7.516 1.00 0.00 C ATOM 407 C GLU A 28 -9.576 -16.574 -6.120 1.00 0.00 C ATOM 408 O GLU A 28 -10.760 -16.821 -5.896 1.00 0.00 O ATOM 409 CB GLU A 28 -8.415 -18.171 -7.657 1.00 0.00 C ATOM 410 CG GLU A 28 -7.543 -18.593 -6.486 1.00 0.00 C ATOM 411 CD GLU A 28 -7.392 -20.098 -6.384 1.00 0.00 C ATOM 412 OE1 GLU A 28 -8.425 -20.800 -6.407 1.00 0.00 O ATOM 413 OE2 GLU A 28 -6.243 -20.575 -6.281 1.00 0.00 O ATOM 0 H GLU A 28 -7.005 -16.084 -7.601 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.784 -16.623 -8.248 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.237 -18.879 -7.761 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.829 -18.226 -8.574 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.558 -18.139 -6.590 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.974 -18.211 -5.561 1.00 0.00 H new ATOM 420 N ASN A 29 -8.739 -16.137 -5.185 1.00 0.00 N ATOM 421 CA ASN A 29 -9.174 -15.920 -3.810 1.00 0.00 C ATOM 422 C ASN A 29 -8.412 -14.761 -3.175 1.00 0.00 C ATOM 423 O ASN A 29 -7.184 -14.783 -3.095 1.00 0.00 O ATOM 424 CB ASN A 29 -8.974 -17.191 -2.983 1.00 0.00 C ATOM 425 CG ASN A 29 -9.659 -17.116 -1.632 1.00 0.00 C ATOM 426 OD1 ASN A 29 -9.602 -16.091 -0.951 1.00 0.00 O ATOM 427 ND2 ASN A 29 -10.311 -18.203 -1.238 1.00 0.00 N ATOM 0 H ASN A 29 -7.756 -15.926 -5.354 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.235 -15.669 -3.826 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.362 -18.046 -3.537 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -7.907 -17.362 -2.837 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -10.791 -18.212 -0.338 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -10.332 -19.030 -1.835 1.00 0.00 H new ATOM 434 N GLN A 30 -9.149 -13.751 -2.725 1.00 0.00 N ATOM 435 CA GLN A 30 -8.542 -12.583 -2.097 1.00 0.00 C ATOM 436 C GLN A 30 -7.857 -12.964 -0.788 1.00 0.00 C ATOM 437 O GLN A 30 -6.752 -12.503 -0.498 1.00 0.00 O ATOM 438 CB GLN A 30 -9.601 -11.509 -1.838 1.00 0.00 C ATOM 439 CG GLN A 30 -10.108 -10.839 -3.104 1.00 0.00 C ATOM 440 CD GLN A 30 -9.306 -9.607 -3.474 1.00 0.00 C ATOM 441 OE1 GLN A 30 -8.447 -9.160 -2.713 1.00 0.00 O ATOM 442 NE2 GLN A 30 -9.582 -9.050 -4.648 1.00 0.00 N ATOM 0 H GLN A 30 -10.167 -13.718 -2.783 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.790 -12.185 -2.778 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -10.443 -11.960 -1.313 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.183 -10.750 -1.177 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.072 -11.552 -3.927 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -11.153 -10.560 -2.969 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -10.302 -9.454 -5.247 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.074 -8.219 -4.950 1.00 0.00 H new ATOM 451 N TYR A 31 -8.519 -13.805 -0.002 1.00 0.00 N ATOM 452 CA TYR A 31 -7.974 -14.245 1.277 1.00 0.00 C ATOM 453 C TYR A 31 -7.850 -15.765 1.322 1.00 0.00 C ATOM 454 O TYR A 31 -8.801 -16.482 1.636 1.00 0.00 O ATOM 455 CB TYR A 31 -8.860 -13.760 2.426 1.00 0.00 C ATOM 456 CG TYR A 31 -9.379 -12.352 2.237 1.00 0.00 C ATOM 457 CD1 TYR A 31 -10.396 -12.081 1.330 1.00 0.00 C ATOM 458 CD2 TYR A 31 -8.853 -11.294 2.967 1.00 0.00 C ATOM 459 CE1 TYR A 31 -10.873 -10.797 1.155 1.00 0.00 C ATOM 460 CE2 TYR A 31 -9.324 -10.006 2.799 1.00 0.00 C ATOM 461 CZ TYR A 31 -10.334 -9.763 1.891 1.00 0.00 C ATOM 462 OH TYR A 31 -10.807 -8.482 1.720 1.00 0.00 O ATOM 0 H TYR A 31 -9.434 -14.196 -0.228 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.979 -13.814 1.387 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.706 -14.439 2.533 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.293 -13.808 3.356 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.821 -12.888 0.752 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.062 -11.481 3.678 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.664 -10.604 0.445 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -8.904 -9.194 3.375 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.322 -7.872 2.314 1.00 0.00 H new ATOM 472 N PRO A 32 -6.649 -16.270 1.002 1.00 0.00 N ATOM 473 CA PRO A 32 -6.370 -17.709 1.000 1.00 0.00 C ATOM 474 C PRO A 32 -6.352 -18.298 2.406 1.00 0.00 C ATOM 475 O PRO A 32 -5.720 -17.751 3.310 1.00 0.00 O ATOM 476 CB PRO A 32 -4.981 -17.800 0.364 1.00 0.00 C ATOM 477 CG PRO A 32 -4.352 -16.477 0.638 1.00 0.00 C ATOM 478 CD PRO A 32 -5.471 -15.474 0.618 1.00 0.00 C ATOM 0 HA PRO A 32 -7.136 -18.272 0.466 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.399 -18.613 0.799 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.048 -17.993 -0.707 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.846 -16.478 1.604 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.601 -16.239 -0.115 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.292 -14.658 1.318 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.592 -15.027 -0.369 1.00 0.00 H new ATOM 486 N ASP A 33 -7.048 -19.415 2.583 1.00 0.00 N ATOM 487 CA ASP A 33 -7.110 -20.080 3.880 1.00 0.00 C ATOM 488 C ASP A 33 -5.746 -20.642 4.269 1.00 0.00 C ATOM 489 O ASP A 33 -4.765 -20.467 3.548 1.00 0.00 O ATOM 490 CB ASP A 33 -8.149 -21.202 3.853 1.00 0.00 C ATOM 491 CG ASP A 33 -9.564 -20.678 3.698 1.00 0.00 C ATOM 492 OD1 ASP A 33 -10.158 -20.264 4.716 1.00 0.00 O ATOM 493 OD2 ASP A 33 -10.076 -20.681 2.560 1.00 0.00 O ATOM 0 H ASP A 33 -7.577 -19.880 1.845 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.404 -19.341 4.625 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.924 -21.881 3.031 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.078 -21.781 4.774 1.00 0.00 H new ATOM 498 N GLU A 34 -5.694 -21.315 5.414 1.00 0.00 N ATOM 499 CA GLU A 34 -4.449 -21.901 5.898 1.00 0.00 C ATOM 500 C GLU A 34 -3.917 -22.938 4.914 1.00 0.00 C ATOM 501 O GLU A 34 -2.719 -22.988 4.636 1.00 0.00 O ATOM 502 CB GLU A 34 -4.663 -22.545 7.269 1.00 0.00 C ATOM 503 CG GLU A 34 -3.429 -23.248 7.810 1.00 0.00 C ATOM 504 CD GLU A 34 -2.254 -22.307 7.993 1.00 0.00 C ATOM 505 OE1 GLU A 34 -2.471 -21.170 8.459 1.00 0.00 O ATOM 506 OE2 GLU A 34 -1.117 -22.710 7.669 1.00 0.00 O ATOM 0 H GLU A 34 -6.498 -21.468 6.023 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.713 -21.103 5.990 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.973 -21.777 7.977 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.480 -23.264 7.200 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.670 -23.712 8.766 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.145 -24.050 7.129 1.00 0.00 H new ATOM 513 N ALA A 35 -4.816 -23.765 4.391 1.00 0.00 N ATOM 514 CA ALA A 35 -4.438 -24.800 3.437 1.00 0.00 C ATOM 515 C ALA A 35 -4.023 -24.192 2.102 1.00 0.00 C ATOM 516 O ALA A 35 -3.068 -24.645 1.471 1.00 0.00 O ATOM 517 CB ALA A 35 -5.585 -25.780 3.238 1.00 0.00 C ATOM 0 H ALA A 35 -5.811 -23.738 4.612 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.581 -25.338 3.844 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.288 -26.547 2.523 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.833 -26.248 4.191 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.457 -25.247 2.858 1.00 0.00 H new ATOM 523 N LYS A 36 -4.747 -23.162 1.675 1.00 0.00 N ATOM 524 CA LYS A 36 -4.454 -22.490 0.415 1.00 0.00 C ATOM 525 C LYS A 36 -3.109 -21.773 0.480 1.00 0.00 C ATOM 526 O LYS A 36 -2.333 -21.802 -0.475 1.00 0.00 O ATOM 527 CB LYS A 36 -5.562 -21.489 0.078 1.00 0.00 C ATOM 528 CG LYS A 36 -5.422 -20.869 -1.301 1.00 0.00 C ATOM 529 CD LYS A 36 -5.753 -21.868 -2.398 1.00 0.00 C ATOM 530 CE LYS A 36 -7.256 -22.032 -2.567 1.00 0.00 C ATOM 531 NZ LYS A 36 -7.849 -20.924 -3.365 1.00 0.00 N ATOM 0 H LYS A 36 -5.541 -22.775 2.184 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.405 -23.246 -0.368 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.527 -21.992 0.145 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.563 -20.696 0.826 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.083 -20.006 -1.382 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.404 -20.504 -1.435 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.314 -21.536 -3.339 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.305 -22.833 -2.160 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.465 -22.984 -3.056 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.730 -22.067 -1.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.535 -20.404 -2.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.096 -20.277 -3.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.332 -21.316 -4.199 1.00 0.00 H new ATOM 545 N ARG A 37 -2.839 -21.133 1.613 1.00 0.00 N ATOM 546 CA ARG A 37 -1.588 -20.409 1.802 1.00 0.00 C ATOM 547 C ARG A 37 -0.392 -21.345 1.657 1.00 0.00 C ATOM 548 O ARG A 37 0.628 -20.979 1.073 1.00 0.00 O ATOM 549 CB ARG A 37 -1.563 -19.742 3.178 1.00 0.00 C ATOM 550 CG ARG A 37 -2.311 -18.420 3.227 1.00 0.00 C ATOM 551 CD ARG A 37 -1.920 -17.603 4.449 1.00 0.00 C ATOM 552 NE ARG A 37 -2.654 -18.017 5.642 1.00 0.00 N ATOM 553 CZ ARG A 37 -3.859 -17.556 5.960 1.00 0.00 C ATOM 554 NH1 ARG A 37 -4.461 -16.670 5.178 1.00 0.00 N ATOM 555 NH2 ARG A 37 -4.463 -17.980 7.063 1.00 0.00 N ATOM 0 H ARG A 37 -3.470 -21.101 2.414 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.522 -19.640 1.032 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.997 -20.423 3.910 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.527 -19.575 3.473 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.101 -17.848 2.323 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.384 -18.609 3.242 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.850 -17.707 4.627 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.109 -16.547 4.255 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.218 -18.697 6.265 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.999 -16.341 4.330 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.386 -16.318 5.424 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.002 -18.660 7.667 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.388 -17.626 7.306 1.00 0.00 H new ATOM 569 N GLU A 38 -0.524 -22.555 2.193 1.00 0.00 N ATOM 570 CA GLU A 38 0.546 -23.542 2.124 1.00 0.00 C ATOM 571 C GLU A 38 0.760 -24.013 0.688 1.00 0.00 C ATOM 572 O GLU A 38 1.895 -24.193 0.246 1.00 0.00 O ATOM 573 CB GLU A 38 0.226 -24.738 3.022 1.00 0.00 C ATOM 574 CG GLU A 38 0.736 -24.584 4.445 1.00 0.00 C ATOM 575 CD GLU A 38 0.285 -25.713 5.352 1.00 0.00 C ATOM 576 OE1 GLU A 38 -0.794 -25.585 5.968 1.00 0.00 O ATOM 577 OE2 GLU A 38 1.011 -26.725 5.446 1.00 0.00 O ATOM 0 H GLU A 38 -1.362 -22.874 2.680 1.00 0.00 H new ATOM 0 HA GLU A 38 1.464 -23.070 2.474 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.854 -24.885 3.046 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.661 -25.637 2.584 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.825 -24.545 4.434 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.387 -23.635 4.851 1.00 0.00 H new ATOM 584 N GLU A 39 -0.338 -24.211 -0.033 1.00 0.00 N ATOM 585 CA GLU A 39 -0.271 -24.663 -1.418 1.00 0.00 C ATOM 586 C GLU A 39 0.417 -23.622 -2.297 1.00 0.00 C ATOM 587 O GLU A 39 1.287 -23.953 -3.104 1.00 0.00 O ATOM 588 CB GLU A 39 -1.675 -24.950 -1.953 1.00 0.00 C ATOM 589 CG GLU A 39 -1.684 -25.784 -3.223 1.00 0.00 C ATOM 590 CD GLU A 39 -1.161 -27.190 -3.001 1.00 0.00 C ATOM 591 OE1 GLU A 39 -1.857 -27.984 -2.334 1.00 0.00 O ATOM 592 OE2 GLU A 39 -0.056 -27.497 -3.495 1.00 0.00 O ATOM 0 H GLU A 39 -1.285 -24.066 0.318 1.00 0.00 H new ATOM 0 HA GLU A 39 0.315 -25.582 -1.445 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.249 -25.468 -1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.181 -24.004 -2.146 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.701 -25.836 -3.612 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.077 -25.290 -3.982 1.00 0.00 H new ATOM 599 N ILE A 40 0.021 -22.364 -2.134 1.00 0.00 N ATOM 600 CA ILE A 40 0.599 -21.275 -2.912 1.00 0.00 C ATOM 601 C ILE A 40 2.041 -21.006 -2.493 1.00 0.00 C ATOM 602 O ILE A 40 2.893 -20.702 -3.327 1.00 0.00 O ATOM 603 CB ILE A 40 -0.218 -19.979 -2.760 1.00 0.00 C ATOM 604 CG1 ILE A 40 0.140 -18.991 -3.871 1.00 0.00 C ATOM 605 CG2 ILE A 40 0.025 -19.357 -1.392 1.00 0.00 C ATOM 606 CD1 ILE A 40 1.298 -18.082 -3.522 1.00 0.00 C ATOM 0 H ILE A 40 -0.697 -22.074 -1.471 1.00 0.00 H new ATOM 0 HA ILE A 40 0.578 -21.587 -3.956 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.277 -20.223 -2.844 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.385 -19.547 -4.776 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.734 -18.381 -4.099 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.559 -18.442 -1.300 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.275 -20.059 -0.614 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.084 -19.124 -1.281 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.496 -17.408 -4.356 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.048 -17.499 -2.636 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.185 -18.683 -3.323 1.00 0.00 H new ATOM 618 N ALA A 41 2.306 -21.121 -1.196 1.00 0.00 N ATOM 619 CA ALA A 41 3.645 -20.894 -0.667 1.00 0.00 C ATOM 620 C ALA A 41 4.632 -21.920 -1.214 1.00 0.00 C ATOM 621 O ALA A 41 5.738 -21.572 -1.626 1.00 0.00 O ATOM 622 CB ALA A 41 3.625 -20.936 0.854 1.00 0.00 C ATOM 0 H ALA A 41 1.611 -21.370 -0.492 1.00 0.00 H new ATOM 0 HA ALA A 41 3.974 -19.906 -0.988 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.631 -20.765 1.236 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.957 -20.161 1.231 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.272 -21.912 1.186 1.00 0.00 H new ATOM 628 N ASN A 42 4.226 -23.185 -1.214 1.00 0.00 N ATOM 629 CA ASN A 42 5.076 -24.261 -1.709 1.00 0.00 C ATOM 630 C ASN A 42 5.486 -24.008 -3.157 1.00 0.00 C ATOM 631 O ASN A 42 6.639 -24.216 -3.531 1.00 0.00 O ATOM 632 CB ASN A 42 4.351 -25.604 -1.599 1.00 0.00 C ATOM 633 CG ASN A 42 4.539 -26.253 -0.242 1.00 0.00 C ATOM 634 OD1 ASN A 42 5.111 -27.338 -0.134 1.00 0.00 O ATOM 635 ND2 ASN A 42 4.056 -25.591 0.803 1.00 0.00 N ATOM 0 H ASN A 42 3.313 -23.490 -0.877 1.00 0.00 H new ATOM 0 HA ASN A 42 5.976 -24.291 -1.095 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.287 -25.456 -1.783 1.00 0.00 H new ATOM 0 HB3 ASN A 42 4.718 -26.277 -2.374 1.00 0.00 H new ATOM 0 HD21 ASN A 42 4.152 -25.979 1.741 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.589 -24.694 0.667 1.00 0.00 H new ATOM 642 N ALA A 43 4.532 -23.558 -3.966 1.00 0.00 N ATOM 643 CA ALA A 43 4.794 -23.274 -5.371 1.00 0.00 C ATOM 644 C ALA A 43 5.878 -22.213 -5.524 1.00 0.00 C ATOM 645 O ALA A 43 6.730 -22.306 -6.409 1.00 0.00 O ATOM 646 CB ALA A 43 3.516 -22.830 -6.067 1.00 0.00 C ATOM 0 H ALA A 43 3.571 -23.383 -3.672 1.00 0.00 H new ATOM 0 HA ALA A 43 5.151 -24.191 -5.841 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.727 -22.621 -7.116 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.770 -23.622 -5.997 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.135 -21.929 -5.587 1.00 0.00 H new ATOM 652 N CYS A 44 5.840 -21.206 -4.659 1.00 0.00 N ATOM 653 CA CYS A 44 6.820 -20.126 -4.700 1.00 0.00 C ATOM 654 C CYS A 44 8.226 -20.657 -4.440 1.00 0.00 C ATOM 655 O CYS A 44 9.185 -20.248 -5.093 1.00 0.00 O ATOM 656 CB CYS A 44 6.469 -19.053 -3.668 1.00 0.00 C ATOM 657 SG CYS A 44 5.018 -18.063 -4.098 1.00 0.00 S ATOM 0 H CYS A 44 5.142 -21.114 -3.921 1.00 0.00 H new ATOM 0 HA CYS A 44 6.796 -19.685 -5.696 1.00 0.00 H new ATOM 0 HB2 CYS A 44 6.296 -19.533 -2.705 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.325 -18.389 -3.544 1.00 0.00 H new ATOM 0 HG CYS A 44 4.800 -17.185 -3.165 1.00 0.00 H new ATOM 663 N ASN A 45 8.340 -21.571 -3.482 1.00 0.00 N ATOM 664 CA ASN A 45 9.630 -22.156 -3.134 1.00 0.00 C ATOM 665 C ASN A 45 10.151 -23.035 -4.267 1.00 0.00 C ATOM 666 O ASN A 45 11.358 -23.132 -4.486 1.00 0.00 O ATOM 667 CB ASN A 45 9.510 -22.979 -1.849 1.00 0.00 C ATOM 668 CG ASN A 45 9.612 -22.121 -0.603 1.00 0.00 C ATOM 669 OD1 ASN A 45 10.438 -21.211 -0.527 1.00 0.00 O ATOM 670 ND2 ASN A 45 8.770 -22.409 0.383 1.00 0.00 N ATOM 0 H ASN A 45 7.555 -21.922 -2.933 1.00 0.00 H new ATOM 0 HA ASN A 45 10.338 -21.343 -2.972 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.556 -23.507 -1.846 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.294 -23.736 -1.831 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.792 -21.867 1.247 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.102 -23.172 0.276 1.00 0.00 H new ATOM 677 N ALA A 46 9.232 -23.673 -4.984 1.00 0.00 N ATOM 678 CA ALA A 46 9.598 -24.542 -6.096 1.00 0.00 C ATOM 679 C ALA A 46 10.111 -23.730 -7.281 1.00 0.00 C ATOM 680 O ALA A 46 11.150 -24.048 -7.861 1.00 0.00 O ATOM 681 CB ALA A 46 8.409 -25.395 -6.513 1.00 0.00 C ATOM 0 H ALA A 46 8.228 -23.605 -4.815 1.00 0.00 H new ATOM 0 HA ALA A 46 10.402 -25.198 -5.763 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.697 -26.039 -7.344 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.089 -26.010 -5.672 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.588 -24.748 -6.822 1.00 0.00 H new ATOM 687 N VAL A 47 9.377 -22.681 -7.636 1.00 0.00 N ATOM 688 CA VAL A 47 9.758 -21.823 -8.752 1.00 0.00 C ATOM 689 C VAL A 47 11.145 -21.229 -8.539 1.00 0.00 C ATOM 690 O VAL A 47 11.880 -20.984 -9.496 1.00 0.00 O ATOM 691 CB VAL A 47 8.746 -20.679 -8.951 1.00 0.00 C ATOM 692 CG1 VAL A 47 7.441 -21.214 -9.522 1.00 0.00 C ATOM 693 CG2 VAL A 47 8.504 -19.948 -7.640 1.00 0.00 C ATOM 0 H VAL A 47 8.515 -22.404 -7.167 1.00 0.00 H new ATOM 0 HA VAL A 47 9.767 -22.449 -9.644 1.00 0.00 H new ATOM 0 HB VAL A 47 9.163 -19.968 -9.665 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.738 -20.392 -9.656 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.632 -21.688 -10.485 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.016 -21.946 -8.835 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.787 -19.143 -7.799 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.109 -20.646 -6.902 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.443 -19.530 -7.278 1.00 0.00 H new ATOM 703 N ILE A 48 11.497 -20.999 -7.278 1.00 0.00 N ATOM 704 CA ILE A 48 12.798 -20.434 -6.940 1.00 0.00 C ATOM 705 C ILE A 48 13.815 -21.532 -6.648 1.00 0.00 C ATOM 706 O ILE A 48 15.005 -21.377 -6.919 1.00 0.00 O ATOM 707 CB ILE A 48 12.705 -19.499 -5.720 1.00 0.00 C ATOM 708 CG1 ILE A 48 12.383 -20.301 -4.458 1.00 0.00 C ATOM 709 CG2 ILE A 48 11.653 -18.425 -5.955 1.00 0.00 C ATOM 710 CD1 ILE A 48 12.382 -19.467 -3.196 1.00 0.00 C ATOM 0 H ILE A 48 10.900 -21.195 -6.474 1.00 0.00 H new ATOM 0 HA ILE A 48 13.127 -19.858 -7.805 1.00 0.00 H new ATOM 0 HB ILE A 48 13.670 -19.011 -5.581 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.406 -20.770 -4.575 1.00 0.00 H new ATOM 0 HG13 ILE A 48 13.112 -21.105 -4.352 1.00 0.00 H new ATOM 0 HG21 ILE A 48 11.599 -17.772 -5.084 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.922 -17.838 -6.833 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.683 -18.895 -6.117 1.00 0.00 H new ATOM 0 HD11 ILE A 48 12.146 -20.101 -2.341 1.00 0.00 H new ATOM 0 HD12 ILE A 48 13.366 -19.019 -3.055 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.633 -18.679 -3.281 1.00 0.00 H new ATOM 722 N GLN A 49 13.336 -22.642 -6.094 1.00 0.00 N ATOM 723 CA GLN A 49 14.204 -23.767 -5.767 1.00 0.00 C ATOM 724 C GLN A 49 15.127 -24.101 -6.934 1.00 0.00 C ATOM 725 O GLN A 49 14.668 -24.380 -8.042 1.00 0.00 O ATOM 726 CB GLN A 49 13.368 -24.993 -5.396 1.00 0.00 C ATOM 727 CG GLN A 49 14.194 -26.251 -5.181 1.00 0.00 C ATOM 728 CD GLN A 49 14.903 -26.263 -3.841 1.00 0.00 C ATOM 729 OE1 GLN A 49 14.354 -26.724 -2.840 1.00 0.00 O ATOM 730 NE2 GLN A 49 16.129 -25.754 -3.816 1.00 0.00 N ATOM 0 H GLN A 49 12.353 -22.786 -5.863 1.00 0.00 H new ATOM 0 HA GLN A 49 14.818 -23.482 -4.912 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.806 -24.778 -4.487 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.639 -25.178 -6.185 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.545 -27.124 -5.252 1.00 0.00 H new ATOM 0 HG3 GLN A 49 14.932 -26.337 -5.979 1.00 0.00 H new ATOM 0 HE21 GLN A 49 16.545 -25.383 -4.670 1.00 0.00 H new ATOM 0 HE22 GLN A 49 16.655 -25.734 -2.942 1.00 0.00 H new ATOM 739 N LYS A 50 16.431 -24.070 -6.680 1.00 0.00 N ATOM 740 CA LYS A 50 17.419 -24.370 -7.708 1.00 0.00 C ATOM 741 C LYS A 50 17.940 -25.796 -7.564 1.00 0.00 C ATOM 742 O LYS A 50 18.031 -26.341 -6.463 1.00 0.00 O ATOM 743 CB LYS A 50 18.584 -23.380 -7.630 1.00 0.00 C ATOM 744 CG LYS A 50 18.151 -21.926 -7.681 1.00 0.00 C ATOM 745 CD LYS A 50 19.199 -21.010 -7.072 1.00 0.00 C ATOM 746 CE LYS A 50 19.154 -21.046 -5.552 1.00 0.00 C ATOM 747 NZ LYS A 50 18.217 -20.029 -5.000 1.00 0.00 N ATOM 0 H LYS A 50 16.828 -23.840 -5.769 1.00 0.00 H new ATOM 0 HA LYS A 50 16.934 -24.276 -8.680 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.136 -23.554 -6.706 1.00 0.00 H new ATOM 0 HB3 LYS A 50 19.271 -23.575 -8.453 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.970 -21.636 -8.716 1.00 0.00 H new ATOM 0 HG3 LYS A 50 17.208 -21.807 -7.147 1.00 0.00 H new ATOM 0 HD2 LYS A 50 20.189 -21.309 -7.415 1.00 0.00 H new ATOM 0 HD3 LYS A 50 19.037 -19.989 -7.418 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.848 -22.039 -5.221 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.154 -20.872 -5.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.215 -20.086 -3.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 18.523 -19.079 -5.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 17.258 -20.210 -5.358 1.00 0.00 H new ATOM 761 N PRO A 51 18.291 -26.417 -8.699 1.00 0.00 N ATOM 762 CA PRO A 51 18.810 -27.788 -8.724 1.00 0.00 C ATOM 763 C PRO A 51 20.207 -27.890 -8.121 1.00 0.00 C ATOM 764 O PRO A 51 21.111 -27.142 -8.493 1.00 0.00 O ATOM 765 CB PRO A 51 18.846 -28.127 -10.217 1.00 0.00 C ATOM 766 CG PRO A 51 18.965 -26.809 -10.901 1.00 0.00 C ATOM 767 CD PRO A 51 18.209 -25.829 -10.047 1.00 0.00 C ATOM 0 HA PRO A 51 18.195 -28.467 -8.133 1.00 0.00 H new ATOM 0 HB2 PRO A 51 19.690 -28.775 -10.456 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.943 -28.653 -10.526 1.00 0.00 H new ATOM 0 HG2 PRO A 51 20.010 -26.514 -11.001 1.00 0.00 H new ATOM 0 HG3 PRO A 51 18.548 -26.853 -11.907 1.00 0.00 H new ATOM 0 HD2 PRO A 51 18.658 -24.837 -10.081 1.00 0.00 H new ATOM 0 HD3 PRO A 51 17.176 -25.722 -10.377 1.00 0.00 H new ATOM 775 N GLY A 52 20.377 -28.820 -7.187 1.00 0.00 N ATOM 776 CA GLY A 52 21.667 -29.003 -6.548 1.00 0.00 C ATOM 777 C GLY A 52 21.912 -27.999 -5.439 1.00 0.00 C ATOM 778 O GLY A 52 23.010 -27.927 -4.886 1.00 0.00 O ATOM 0 H GLY A 52 19.644 -29.450 -6.861 1.00 0.00 H new ATOM 0 HA2 GLY A 52 21.727 -30.012 -6.140 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.455 -28.914 -7.295 1.00 0.00 H new ATOM 782 N LYS A 53 20.887 -27.219 -5.112 1.00 0.00 N ATOM 783 CA LYS A 53 20.994 -26.213 -4.062 1.00 0.00 C ATOM 784 C LYS A 53 19.999 -26.490 -2.940 1.00 0.00 C ATOM 785 O LYS A 53 19.032 -27.229 -3.122 1.00 0.00 O ATOM 786 CB LYS A 53 20.753 -24.816 -4.639 1.00 0.00 C ATOM 787 CG LYS A 53 21.880 -24.323 -5.530 1.00 0.00 C ATOM 788 CD LYS A 53 22.005 -22.809 -5.484 1.00 0.00 C ATOM 789 CE LYS A 53 23.299 -22.338 -6.131 1.00 0.00 C ATOM 790 NZ LYS A 53 23.196 -22.303 -7.616 1.00 0.00 N ATOM 0 H LYS A 53 19.972 -27.265 -5.560 1.00 0.00 H new ATOM 0 HA LYS A 53 22.002 -26.260 -3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 53 19.825 -24.824 -5.211 1.00 0.00 H new ATOM 0 HB3 LYS A 53 20.615 -24.112 -3.818 1.00 0.00 H new ATOM 0 HG2 LYS A 53 22.820 -24.776 -5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 53 21.700 -24.643 -6.556 1.00 0.00 H new ATOM 0 HD2 LYS A 53 21.155 -22.357 -5.995 1.00 0.00 H new ATOM 0 HD3 LYS A 53 21.970 -22.471 -4.448 1.00 0.00 H new ATOM 0 HE2 LYS A 53 23.549 -21.344 -5.761 1.00 0.00 H new ATOM 0 HE3 LYS A 53 24.113 -23.001 -5.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 24.098 -21.977 -8.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 22.982 -23.257 -7.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 22.436 -21.651 -7.896 1.00 0.00 H new ATOM 804 N LYS A 54 20.242 -25.891 -1.779 1.00 0.00 N ATOM 805 CA LYS A 54 19.367 -26.070 -0.627 1.00 0.00 C ATOM 806 C LYS A 54 18.671 -24.762 -0.264 1.00 0.00 C ATOM 807 O LYS A 54 19.317 -23.724 -0.114 1.00 0.00 O ATOM 808 CB LYS A 54 20.166 -26.584 0.572 1.00 0.00 C ATOM 809 CG LYS A 54 19.370 -26.617 1.865 1.00 0.00 C ATOM 810 CD LYS A 54 20.263 -26.892 3.063 1.00 0.00 C ATOM 811 CE LYS A 54 20.997 -25.637 3.511 1.00 0.00 C ATOM 812 NZ LYS A 54 22.095 -25.948 4.468 1.00 0.00 N ATOM 0 H LYS A 54 21.039 -25.277 -1.611 1.00 0.00 H new ATOM 0 HA LYS A 54 18.607 -26.805 -0.891 1.00 0.00 H new ATOM 0 HB2 LYS A 54 20.528 -27.588 0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 54 21.043 -25.952 0.711 1.00 0.00 H new ATOM 0 HG2 LYS A 54 18.858 -25.664 2.003 1.00 0.00 H new ATOM 0 HG3 LYS A 54 18.600 -27.386 1.800 1.00 0.00 H new ATOM 0 HD2 LYS A 54 19.661 -27.276 3.886 1.00 0.00 H new ATOM 0 HD3 LYS A 54 20.986 -27.667 2.809 1.00 0.00 H new ATOM 0 HE2 LYS A 54 21.408 -25.126 2.640 1.00 0.00 H new ATOM 0 HE3 LYS A 54 20.291 -24.951 3.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 22.570 -25.067 4.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 21.700 -26.412 5.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 22.782 -26.582 4.013 1.00 0.00 H new ATOM 826 N LEU A 55 17.351 -24.819 -0.123 1.00 0.00 N ATOM 827 CA LEU A 55 16.567 -23.638 0.225 1.00 0.00 C ATOM 828 C LEU A 55 16.801 -23.238 1.678 1.00 0.00 C ATOM 829 O LEU A 55 16.972 -24.091 2.548 1.00 0.00 O ATOM 830 CB LEU A 55 15.079 -23.903 -0.010 1.00 0.00 C ATOM 831 CG LEU A 55 14.583 -23.723 -1.445 1.00 0.00 C ATOM 832 CD1 LEU A 55 13.124 -24.133 -1.561 1.00 0.00 C ATOM 833 CD2 LEU A 55 14.772 -22.282 -1.897 1.00 0.00 C ATOM 0 H LEU A 55 16.801 -25.670 -0.244 1.00 0.00 H new ATOM 0 HA LEU A 55 16.889 -22.816 -0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 55 14.858 -24.923 0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 55 14.506 -23.239 0.637 1.00 0.00 H new ATOM 0 HG LEU A 55 15.173 -24.368 -2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.789 -23.998 -2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.017 -25.180 -1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.519 -23.515 -0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.414 -22.172 -2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 55 14.208 -21.618 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 55 15.830 -22.023 -1.853 1.00 0.00 H new ATOM 845 N SER A 56 16.806 -21.933 1.933 1.00 0.00 N ATOM 846 CA SER A 56 17.020 -21.419 3.281 1.00 0.00 C ATOM 847 C SER A 56 15.764 -20.729 3.805 1.00 0.00 C ATOM 848 O SER A 56 14.886 -20.343 3.033 1.00 0.00 O ATOM 849 CB SER A 56 18.196 -20.441 3.295 1.00 0.00 C ATOM 850 OG SER A 56 19.412 -21.109 3.582 1.00 0.00 O ATOM 0 H SER A 56 16.664 -21.213 1.224 1.00 0.00 H new ATOM 0 HA SER A 56 17.249 -22.262 3.933 1.00 0.00 H new ATOM 0 HB2 SER A 56 18.270 -19.943 2.328 1.00 0.00 H new ATOM 0 HB3 SER A 56 18.019 -19.665 4.040 1.00 0.00 H new ATOM 0 HG SER A 56 20.148 -20.462 3.583 1.00 0.00 H new ATOM 856 N ASP A 57 15.687 -20.578 5.122 1.00 0.00 N ATOM 857 CA ASP A 57 14.539 -19.934 5.752 1.00 0.00 C ATOM 858 C ASP A 57 14.314 -18.540 5.174 1.00 0.00 C ATOM 859 O ASP A 57 13.198 -18.020 5.197 1.00 0.00 O ATOM 860 CB ASP A 57 14.744 -19.846 7.265 1.00 0.00 C ATOM 861 CG ASP A 57 13.433 -19.814 8.026 1.00 0.00 C ATOM 862 OD1 ASP A 57 12.420 -20.306 7.484 1.00 0.00 O ATOM 863 OD2 ASP A 57 13.419 -19.298 9.162 1.00 0.00 O ATOM 0 H ASP A 57 16.405 -20.892 5.775 1.00 0.00 H new ATOM 0 HA ASP A 57 13.656 -20.539 5.548 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.334 -20.700 7.599 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.319 -18.950 7.499 1.00 0.00 H new ATOM 868 N LEU A 58 15.380 -17.940 4.658 1.00 0.00 N ATOM 869 CA LEU A 58 15.300 -16.605 4.075 1.00 0.00 C ATOM 870 C LEU A 58 14.469 -16.619 2.795 1.00 0.00 C ATOM 871 O LEU A 58 13.651 -15.729 2.566 1.00 0.00 O ATOM 872 CB LEU A 58 16.702 -16.070 3.780 1.00 0.00 C ATOM 873 CG LEU A 58 17.486 -15.545 4.983 1.00 0.00 C ATOM 874 CD1 LEU A 58 16.634 -14.583 5.796 1.00 0.00 C ATOM 875 CD2 LEU A 58 17.969 -16.698 5.850 1.00 0.00 C ATOM 0 H LEU A 58 16.311 -18.357 4.631 1.00 0.00 H new ATOM 0 HA LEU A 58 14.812 -15.949 4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 58 17.282 -16.866 3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 58 16.616 -15.266 3.049 1.00 0.00 H new ATOM 0 HG LEU A 58 18.358 -15.004 4.616 1.00 0.00 H new ATOM 0 HD11 LEU A 58 17.208 -14.219 6.648 1.00 0.00 H new ATOM 0 HD12 LEU A 58 16.340 -13.740 5.171 1.00 0.00 H new ATOM 0 HD13 LEU A 58 15.743 -15.099 6.153 1.00 0.00 H new ATOM 0 HD21 LEU A 58 18.525 -16.305 6.701 1.00 0.00 H new ATOM 0 HD22 LEU A 58 17.112 -17.268 6.208 1.00 0.00 H new ATOM 0 HD23 LEU A 58 18.617 -17.348 5.262 1.00 0.00 H new ATOM 887 N GLU A 59 14.684 -17.637 1.967 1.00 0.00 N ATOM 888 CA GLU A 59 13.954 -17.766 0.712 1.00 0.00 C ATOM 889 C GLU A 59 12.722 -18.650 0.888 1.00 0.00 C ATOM 890 O GLU A 59 11.824 -18.656 0.046 1.00 0.00 O ATOM 891 CB GLU A 59 14.862 -18.348 -0.374 1.00 0.00 C ATOM 892 CG GLU A 59 16.254 -17.740 -0.394 1.00 0.00 C ATOM 893 CD GLU A 59 16.964 -17.951 -1.717 1.00 0.00 C ATOM 894 OE1 GLU A 59 16.681 -18.967 -2.386 1.00 0.00 O ATOM 895 OE2 GLU A 59 17.802 -17.101 -2.084 1.00 0.00 O ATOM 0 H GLU A 59 15.357 -18.383 2.143 1.00 0.00 H new ATOM 0 HA GLU A 59 13.626 -16.772 0.408 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.947 -19.425 -0.226 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.394 -18.196 -1.347 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.183 -16.672 -0.191 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.849 -18.178 0.407 1.00 0.00 H new ATOM 902 N ARG A 60 12.688 -19.395 1.987 1.00 0.00 N ATOM 903 CA ARG A 60 11.569 -20.284 2.274 1.00 0.00 C ATOM 904 C ARG A 60 10.289 -19.488 2.511 1.00 0.00 C ATOM 905 O ARG A 60 10.150 -18.804 3.525 1.00 0.00 O ATOM 906 CB ARG A 60 11.877 -21.150 3.497 1.00 0.00 C ATOM 907 CG ARG A 60 10.983 -22.373 3.618 1.00 0.00 C ATOM 908 CD ARG A 60 11.682 -23.503 4.358 1.00 0.00 C ATOM 909 NE ARG A 60 11.874 -23.194 5.772 1.00 0.00 N ATOM 910 CZ ARG A 60 12.635 -23.918 6.586 1.00 0.00 C ATOM 911 NH1 ARG A 60 13.272 -24.986 6.127 1.00 0.00 N ATOM 912 NH2 ARG A 60 12.760 -23.573 7.861 1.00 0.00 N ATOM 0 H ARG A 60 13.423 -19.401 2.694 1.00 0.00 H new ATOM 0 HA ARG A 60 11.420 -20.930 1.409 1.00 0.00 H new ATOM 0 HB2 ARG A 60 12.917 -21.474 3.450 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.772 -20.544 4.397 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.067 -22.105 4.144 1.00 0.00 H new ATOM 0 HG3 ARG A 60 10.693 -22.713 2.624 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.095 -24.416 4.263 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.649 -23.696 3.894 1.00 0.00 H new ATOM 0 HE ARG A 60 11.398 -22.378 6.156 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.179 -25.254 5.147 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.856 -25.540 6.754 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.272 -22.751 8.217 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.344 -24.129 8.485 1.00 0.00 H new ATOM 926 N VAL A 61 9.357 -19.581 1.568 1.00 0.00 N ATOM 927 CA VAL A 61 8.088 -18.870 1.674 1.00 0.00 C ATOM 928 C VAL A 61 7.082 -19.663 2.500 1.00 0.00 C ATOM 929 O VAL A 61 6.390 -20.541 1.982 1.00 0.00 O ATOM 930 CB VAL A 61 7.486 -18.586 0.285 1.00 0.00 C ATOM 931 CG1 VAL A 61 6.126 -17.920 0.418 1.00 0.00 C ATOM 932 CG2 VAL A 61 8.432 -17.726 -0.540 1.00 0.00 C ATOM 0 H VAL A 61 9.457 -20.142 0.722 1.00 0.00 H new ATOM 0 HA VAL A 61 8.296 -17.923 2.172 1.00 0.00 H new ATOM 0 HB VAL A 61 7.349 -19.535 -0.233 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.717 -17.727 -0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.452 -18.577 0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.233 -16.978 0.956 1.00 0.00 H new ATOM 0 HG21 VAL A 61 7.991 -17.535 -1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.603 -16.779 -0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 61 9.381 -18.247 -0.666 1.00 0.00 H new ATOM 942 N THR A 62 7.003 -19.347 3.789 1.00 0.00 N ATOM 943 CA THR A 62 6.081 -20.030 4.688 1.00 0.00 C ATOM 944 C THR A 62 4.659 -19.511 4.514 1.00 0.00 C ATOM 945 O THR A 62 4.435 -18.489 3.865 1.00 0.00 O ATOM 946 CB THR A 62 6.502 -19.858 6.160 1.00 0.00 C ATOM 947 OG1 THR A 62 6.578 -18.467 6.489 1.00 0.00 O ATOM 948 CG2 THR A 62 7.847 -20.520 6.419 1.00 0.00 C ATOM 0 H THR A 62 7.567 -18.622 4.234 1.00 0.00 H new ATOM 0 HA THR A 62 6.113 -21.089 4.430 1.00 0.00 H new ATOM 0 HB THR A 62 5.751 -20.338 6.788 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.844 -18.367 7.427 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.123 -20.385 7.465 1.00 0.00 H new ATOM 0 HG22 THR A 62 7.777 -21.585 6.196 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.605 -20.065 5.782 1.00 0.00 H new ATOM 956 N SER A 63 3.699 -20.222 5.099 1.00 0.00 N ATOM 957 CA SER A 63 2.296 -19.834 5.006 1.00 0.00 C ATOM 958 C SER A 63 2.081 -18.433 5.571 1.00 0.00 C ATOM 959 O SER A 63 1.318 -17.639 5.020 1.00 0.00 O ATOM 960 CB SER A 63 1.417 -20.839 5.753 1.00 0.00 C ATOM 961 OG SER A 63 1.453 -20.607 7.150 1.00 0.00 O ATOM 0 H SER A 63 3.867 -21.069 5.642 1.00 0.00 H new ATOM 0 HA SER A 63 2.015 -19.829 3.953 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.390 -20.765 5.395 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.757 -21.853 5.540 1.00 0.00 H new ATOM 0 HG SER A 63 0.882 -21.261 7.605 1.00 0.00 H new ATOM 967 N LEU A 64 2.759 -18.137 6.674 1.00 0.00 N ATOM 968 CA LEU A 64 2.643 -16.832 7.316 1.00 0.00 C ATOM 969 C LEU A 64 3.176 -15.729 6.407 1.00 0.00 C ATOM 970 O LEU A 64 2.612 -14.637 6.342 1.00 0.00 O ATOM 971 CB LEU A 64 3.403 -16.826 8.644 1.00 0.00 C ATOM 972 CG LEU A 64 3.586 -15.460 9.306 1.00 0.00 C ATOM 973 CD1 LEU A 64 2.236 -14.830 9.612 1.00 0.00 C ATOM 974 CD2 LEU A 64 4.417 -15.589 10.574 1.00 0.00 C ATOM 0 H LEU A 64 3.395 -18.783 7.143 1.00 0.00 H new ATOM 0 HA LEU A 64 1.587 -16.641 7.508 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.879 -17.479 9.342 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.388 -17.262 8.478 1.00 0.00 H new ATOM 0 HG LEU A 64 4.118 -14.809 8.612 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.386 -13.858 10.083 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.676 -14.702 8.686 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.677 -15.478 10.287 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.537 -14.607 11.032 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.913 -16.256 11.273 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.397 -15.996 10.327 1.00 0.00 H new ATOM 986 N LYS A 65 4.265 -16.023 5.704 1.00 0.00 N ATOM 987 CA LYS A 65 4.873 -15.058 4.796 1.00 0.00 C ATOM 988 C LYS A 65 3.902 -14.671 3.684 1.00 0.00 C ATOM 989 O LYS A 65 3.825 -13.507 3.291 1.00 0.00 O ATOM 990 CB LYS A 65 6.155 -15.634 4.190 1.00 0.00 C ATOM 991 CG LYS A 65 7.400 -15.338 5.007 1.00 0.00 C ATOM 992 CD LYS A 65 8.665 -15.555 4.194 1.00 0.00 C ATOM 993 CE LYS A 65 9.890 -15.670 5.089 1.00 0.00 C ATOM 994 NZ LYS A 65 10.398 -14.334 5.508 1.00 0.00 N ATOM 0 H LYS A 65 4.744 -16.922 5.746 1.00 0.00 H new ATOM 0 HA LYS A 65 5.119 -14.163 5.368 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.046 -16.714 4.088 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.285 -15.231 3.186 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.367 -14.308 5.362 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.419 -15.979 5.889 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.564 -16.461 3.596 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.798 -14.727 3.498 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.640 -16.257 5.973 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.677 -16.208 4.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.233 -14.455 6.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.660 -13.783 4.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.656 -13.830 6.035 1.00 0.00 H new ATOM 1008 N VAL A 66 3.162 -15.655 3.182 1.00 0.00 N ATOM 1009 CA VAL A 66 2.195 -15.416 2.117 1.00 0.00 C ATOM 1010 C VAL A 66 1.077 -14.493 2.588 1.00 0.00 C ATOM 1011 O VAL A 66 0.657 -13.590 1.863 1.00 0.00 O ATOM 1012 CB VAL A 66 1.578 -16.735 1.614 1.00 0.00 C ATOM 1013 CG1 VAL A 66 0.509 -16.460 0.568 1.00 0.00 C ATOM 1014 CG2 VAL A 66 2.659 -17.648 1.055 1.00 0.00 C ATOM 0 H VAL A 66 3.214 -16.624 3.495 1.00 0.00 H new ATOM 0 HA VAL A 66 2.735 -14.940 1.299 1.00 0.00 H new ATOM 0 HB VAL A 66 1.106 -17.240 2.457 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.085 -17.403 0.225 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.278 -15.846 1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.953 -15.933 -0.277 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.206 -18.575 0.704 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.160 -17.152 0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.386 -17.872 1.836 1.00 0.00 H new ATOM 1024 N TYR A 67 0.599 -14.724 3.805 1.00 0.00 N ATOM 1025 CA TYR A 67 -0.473 -13.914 4.372 1.00 0.00 C ATOM 1026 C TYR A 67 -0.034 -12.461 4.527 1.00 0.00 C ATOM 1027 O TYR A 67 -0.825 -11.539 4.339 1.00 0.00 O ATOM 1028 CB TYR A 67 -0.902 -14.476 5.729 1.00 0.00 C ATOM 1029 CG TYR A 67 -2.139 -13.814 6.294 1.00 0.00 C ATOM 1030 CD1 TYR A 67 -3.314 -13.746 5.556 1.00 0.00 C ATOM 1031 CD2 TYR A 67 -2.132 -13.258 7.568 1.00 0.00 C ATOM 1032 CE1 TYR A 67 -4.445 -13.143 6.068 1.00 0.00 C ATOM 1033 CE2 TYR A 67 -3.260 -12.654 8.089 1.00 0.00 C ATOM 1034 CZ TYR A 67 -4.414 -12.598 7.335 1.00 0.00 C ATOM 1035 OH TYR A 67 -5.540 -11.997 7.849 1.00 0.00 O ATOM 0 H TYR A 67 0.937 -15.466 4.418 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.321 -13.948 3.687 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.086 -15.546 5.628 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.082 -14.359 6.437 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.343 -14.172 4.564 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.230 -13.299 8.160 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.350 -13.098 5.480 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.239 -12.228 9.081 1.00 0.00 H new ATOM 0 HH TYR A 67 -5.351 -11.666 8.752 1.00 0.00 H new ATOM 1045 N ASN A 68 1.236 -12.267 4.870 1.00 0.00 N ATOM 1046 CA ASN A 68 1.782 -10.927 5.050 1.00 0.00 C ATOM 1047 C ASN A 68 1.756 -10.148 3.739 1.00 0.00 C ATOM 1048 O ASN A 68 1.390 -8.973 3.710 1.00 0.00 O ATOM 1049 CB ASN A 68 3.215 -11.005 5.582 1.00 0.00 C ATOM 1050 CG ASN A 68 3.269 -11.011 7.097 1.00 0.00 C ATOM 1051 OD1 ASN A 68 2.455 -10.370 7.762 1.00 0.00 O ATOM 1052 ND2 ASN A 68 4.233 -11.738 7.651 1.00 0.00 N ATOM 0 H ASN A 68 1.905 -13.020 5.029 1.00 0.00 H new ATOM 0 HA ASN A 68 1.160 -10.403 5.775 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.693 -11.907 5.200 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.787 -10.157 5.204 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.320 -11.781 8.666 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.886 -12.254 7.061 1.00 0.00 H new ATOM 1059 N TRP A 69 2.146 -10.810 2.656 1.00 0.00 N ATOM 1060 CA TRP A 69 2.167 -10.180 1.341 1.00 0.00 C ATOM 1061 C TRP A 69 0.752 -9.895 0.851 1.00 0.00 C ATOM 1062 O TRP A 69 0.473 -8.821 0.318 1.00 0.00 O ATOM 1063 CB TRP A 69 2.897 -11.074 0.336 1.00 0.00 C ATOM 1064 CG TRP A 69 2.889 -10.528 -1.060 1.00 0.00 C ATOM 1065 CD1 TRP A 69 3.909 -9.873 -1.689 1.00 0.00 C ATOM 1066 CD2 TRP A 69 1.809 -10.589 -1.997 1.00 0.00 C ATOM 1067 NE1 TRP A 69 3.527 -9.522 -2.962 1.00 0.00 N ATOM 1068 CE2 TRP A 69 2.244 -9.951 -3.176 1.00 0.00 C ATOM 1069 CE3 TRP A 69 0.518 -11.121 -1.957 1.00 0.00 C ATOM 1070 CZ2 TRP A 69 1.432 -9.832 -4.300 1.00 0.00 C ATOM 1071 CZ3 TRP A 69 -0.287 -11.002 -3.074 1.00 0.00 C ATOM 1072 CH2 TRP A 69 0.172 -10.362 -4.233 1.00 0.00 C ATOM 0 H TRP A 69 2.452 -11.783 2.662 1.00 0.00 H new ATOM 0 HA TRP A 69 2.699 -9.233 1.428 1.00 0.00 H new ATOM 0 HB2 TRP A 69 3.929 -11.206 0.661 1.00 0.00 H new ATOM 0 HB3 TRP A 69 2.434 -12.061 0.335 1.00 0.00 H new ATOM 0 HD1 TRP A 69 4.873 -9.662 -1.251 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.105 -9.023 -3.638 1.00 0.00 H new ATOM 0 HE3 TRP A 69 0.155 -11.617 -1.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.784 -9.339 -5.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -1.287 -11.409 -3.053 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -0.481 -10.286 -5.090 1.00 0.00 H new ATOM 1083 N PHE A 70 -0.140 -10.864 1.035 1.00 0.00 N ATOM 1084 CA PHE A 70 -1.527 -10.716 0.611 1.00 0.00 C ATOM 1085 C PHE A 70 -2.200 -9.560 1.345 1.00 0.00 C ATOM 1086 O PHE A 70 -2.842 -8.709 0.730 1.00 0.00 O ATOM 1087 CB PHE A 70 -2.300 -12.013 0.862 1.00 0.00 C ATOM 1088 CG PHE A 70 -2.279 -12.958 -0.306 1.00 0.00 C ATOM 1089 CD1 PHE A 70 -1.100 -13.571 -0.697 1.00 0.00 C ATOM 1090 CD2 PHE A 70 -3.439 -13.232 -1.013 1.00 0.00 C ATOM 1091 CE1 PHE A 70 -1.077 -14.442 -1.770 1.00 0.00 C ATOM 1092 CE2 PHE A 70 -3.422 -14.102 -2.087 1.00 0.00 C ATOM 1093 CZ PHE A 70 -2.240 -14.706 -2.467 1.00 0.00 C ATOM 0 H PHE A 70 0.074 -11.759 1.475 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.533 -10.498 -0.457 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.879 -12.515 1.733 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.335 -11.769 1.104 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.188 -13.366 -0.157 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.366 -12.761 -0.722 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.151 -14.915 -2.063 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.333 -14.309 -2.629 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.225 -15.384 -3.308 1.00 0.00 H new ATOM 1103 N ALA A 71 -2.050 -9.537 2.666 1.00 0.00 N ATOM 1104 CA ALA A 71 -2.641 -8.486 3.484 1.00 0.00 C ATOM 1105 C ALA A 71 -2.078 -7.119 3.113 1.00 0.00 C ATOM 1106 O ALA A 71 -2.804 -6.126 3.079 1.00 0.00 O ATOM 1107 CB ALA A 71 -2.407 -8.772 4.960 1.00 0.00 C ATOM 0 H ALA A 71 -1.524 -10.235 3.192 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.714 -8.472 3.293 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.854 -7.979 5.560 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.864 -9.726 5.223 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.336 -8.816 5.157 1.00 0.00 H new ATOM 1113 N ASN A 72 -0.778 -7.075 2.835 1.00 0.00 N ATOM 1114 CA ASN A 72 -0.118 -5.828 2.467 1.00 0.00 C ATOM 1115 C ASN A 72 -0.603 -5.335 1.108 1.00 0.00 C ATOM 1116 O ASN A 72 -0.722 -4.132 0.878 1.00 0.00 O ATOM 1117 CB ASN A 72 1.400 -6.019 2.441 1.00 0.00 C ATOM 1118 CG ASN A 72 2.150 -4.740 2.759 1.00 0.00 C ATOM 1119 OD1 ASN A 72 1.801 -3.665 2.271 1.00 0.00 O ATOM 1120 ND2 ASN A 72 3.187 -4.851 3.580 1.00 0.00 N ATOM 0 H ASN A 72 -0.162 -7.888 2.858 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.371 -5.078 3.216 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.679 -6.789 3.161 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.701 -6.378 1.457 1.00 0.00 H new ATOM 0 HD21 ASN A 72 3.730 -4.025 3.830 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.440 -5.763 3.961 1.00 0.00 H new ATOM 1127 N ARG A 73 -0.883 -6.274 0.210 1.00 0.00 N ATOM 1128 CA ARG A 73 -1.355 -5.936 -1.128 1.00 0.00 C ATOM 1129 C ARG A 73 -2.781 -5.395 -1.080 1.00 0.00 C ATOM 1130 O ARG A 73 -3.085 -4.365 -1.681 1.00 0.00 O ATOM 1131 CB ARG A 73 -1.294 -7.164 -2.038 1.00 0.00 C ATOM 1132 CG ARG A 73 -1.069 -6.825 -3.503 1.00 0.00 C ATOM 1133 CD ARG A 73 -2.339 -6.298 -4.154 1.00 0.00 C ATOM 1134 NE ARG A 73 -3.140 -7.370 -4.738 1.00 0.00 N ATOM 1135 CZ ARG A 73 -2.763 -8.074 -5.800 1.00 0.00 C ATOM 1136 NH1 ARG A 73 -1.602 -7.821 -6.389 1.00 0.00 N ATOM 1137 NH2 ARG A 73 -3.547 -9.034 -6.273 1.00 0.00 N ATOM 0 H ARG A 73 -0.791 -7.275 0.385 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.704 -5.161 -1.532 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -0.492 -7.819 -1.698 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.224 -7.724 -1.942 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.279 -6.079 -3.588 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.728 -7.713 -4.035 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.933 -5.765 -3.411 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.077 -5.578 -4.929 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.038 -7.590 -4.307 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.996 -7.085 -6.027 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.315 -8.363 -7.204 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.440 -9.232 -5.821 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.257 -9.574 -7.088 1.00 0.00 H new ATOM 1151 N ARG A 74 -3.651 -6.098 -0.362 1.00 0.00 N ATOM 1152 CA ARG A 74 -5.045 -5.689 -0.238 1.00 0.00 C ATOM 1153 C ARG A 74 -5.148 -4.266 0.302 1.00 0.00 C ATOM 1154 O ARG A 74 -5.921 -3.452 -0.204 1.00 0.00 O ATOM 1155 CB ARG A 74 -5.801 -6.651 0.681 1.00 0.00 C ATOM 1156 CG ARG A 74 -5.915 -8.061 0.125 1.00 0.00 C ATOM 1157 CD ARG A 74 -7.088 -8.809 0.739 1.00 0.00 C ATOM 1158 NE ARG A 74 -6.783 -9.297 2.082 1.00 0.00 N ATOM 1159 CZ ARG A 74 -6.111 -10.417 2.321 1.00 0.00 C ATOM 1160 NH1 ARG A 74 -5.675 -11.161 1.313 1.00 0.00 N ATOM 1161 NH2 ARG A 74 -5.873 -10.796 3.570 1.00 0.00 N ATOM 0 H ARG A 74 -3.415 -6.953 0.142 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.495 -5.716 -1.230 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.296 -6.690 1.646 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.802 -6.258 0.860 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.036 -8.018 -0.957 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.992 -8.606 0.321 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.956 -8.151 0.781 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.356 -9.650 0.100 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.104 -8.747 2.879 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.856 -10.873 0.351 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.159 -12.021 1.500 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.206 -10.227 4.348 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.357 -11.657 3.752 1.00 0.00 H new ATOM 1175 N LYS A 75 -4.364 -3.972 1.334 1.00 0.00 N ATOM 1176 CA LYS A 75 -4.366 -2.648 1.944 1.00 0.00 C ATOM 1177 C LYS A 75 -3.724 -1.621 1.016 1.00 0.00 C ATOM 1178 O LYS A 75 -4.127 -0.459 0.989 1.00 0.00 O ATOM 1179 CB LYS A 75 -3.622 -2.678 3.281 1.00 0.00 C ATOM 1180 CG LYS A 75 -2.125 -2.898 3.139 1.00 0.00 C ATOM 1181 CD LYS A 75 -1.427 -2.864 4.488 1.00 0.00 C ATOM 1182 CE LYS A 75 -1.842 -4.040 5.360 1.00 0.00 C ATOM 1183 NZ LYS A 75 -0.862 -4.293 6.453 1.00 0.00 N ATOM 0 H LYS A 75 -3.719 -4.634 1.765 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.402 -2.357 2.119 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.795 -1.738 3.805 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.040 -3.470 3.902 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.941 -3.858 2.657 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.703 -2.130 2.490 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.347 -2.882 4.341 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.664 -1.930 4.998 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.824 -3.844 5.791 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.937 -4.934 4.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.180 -5.101 7.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.069 -4.505 6.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.790 -3.449 7.057 1.00 0.00 H new