USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=12 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 180:sc= -2.61 USER MOD Single : A 22 MET CE :methyl -163:sc= -6.19 (180deg=-8.09!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.834! X(o=-0.83!,f=-1.2) USER MOD Single : A 29 ASN : amide:sc= 0.173 K(o=0.17,f=-7.6!) USER MOD Single : A 30 GLN : amide:sc= -8.51! C(o=-8.5!,f=-7!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -111:sc= -1.78 (180deg=-3.18!) USER MOD Single : A 42 ASN : amide:sc= 0.23 X(o=0.23,f=-0.21) USER MOD Single : A 44 CYS SG : rot 180:sc= -2.47 USER MOD Single : A 45 ASN : amide:sc= -0.799 K(o=-0.8,f=-12!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) 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=-0.00113 USER MOD Single : A 65 LYS NZ :NH3+ -170:sc= -0.0339 (180deg=-0.203) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.111 K(o=-0.11,f=-1) USER MOD Single : A 72 ASN : amide:sc= -0.105 X(o=-0.1,f=0.22) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 166 N TRP A 14 11.151 -10.665 -1.978 1.00 0.00 N ATOM 167 CA TRP A 14 10.122 -11.327 -2.773 1.00 0.00 C ATOM 168 C TRP A 14 10.574 -11.491 -4.220 1.00 0.00 C ATOM 169 O TRP A 14 10.636 -10.519 -4.974 1.00 0.00 O ATOM 170 CB TRP A 14 8.817 -10.533 -2.719 1.00 0.00 C ATOM 171 CG TRP A 14 7.988 -10.833 -1.507 1.00 0.00 C ATOM 172 CD1 TRP A 14 7.586 -9.946 -0.549 1.00 0.00 C ATOM 173 CD2 TRP A 14 7.463 -12.107 -1.122 1.00 0.00 C ATOM 174 NE1 TRP A 14 6.842 -10.592 0.408 1.00 0.00 N ATOM 175 CE2 TRP A 14 6.751 -11.919 0.079 1.00 0.00 C ATOM 176 CE3 TRP A 14 7.522 -13.389 -1.675 1.00 0.00 C ATOM 177 CZ2 TRP A 14 6.107 -12.965 0.734 1.00 0.00 C ATOM 178 CZ3 TRP A 14 6.882 -14.426 -1.024 1.00 0.00 C ATOM 179 CH2 TRP A 14 6.182 -14.210 0.170 1.00 0.00 C ATOM 0 HA TRP A 14 9.953 -12.318 -2.351 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.047 -9.468 -2.738 1.00 0.00 H new ATOM 0 HB3 TRP A 14 8.232 -10.749 -3.613 1.00 0.00 H new ATOM 0 HD1 TRP A 14 7.819 -8.891 -0.545 1.00 0.00 H new ATOM 0 HE1 TRP A 14 6.425 -10.155 1.230 1.00 0.00 H new ATOM 0 HE3 TRP A 14 8.059 -13.566 -2.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.567 -12.800 1.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 6.922 -15.421 -1.443 1.00 0.00 H new ATOM 0 HH2 TRP A 14 5.692 -15.042 0.655 1.00 0.00 H new ATOM 190 N ARG A 15 10.888 -12.724 -4.602 1.00 0.00 N ATOM 191 CA ARG A 15 11.335 -13.013 -5.960 1.00 0.00 C ATOM 192 C ARG A 15 10.169 -12.947 -6.941 1.00 0.00 C ATOM 193 O ARG A 15 9.019 -13.193 -6.574 1.00 0.00 O ATOM 194 CB ARG A 15 11.989 -14.394 -6.021 1.00 0.00 C ATOM 195 CG ARG A 15 13.177 -14.547 -5.084 1.00 0.00 C ATOM 196 CD ARG A 15 14.282 -13.558 -5.420 1.00 0.00 C ATOM 197 NE ARG A 15 15.413 -13.668 -4.502 1.00 0.00 N ATOM 198 CZ ARG A 15 16.491 -12.896 -4.568 1.00 0.00 C ATOM 199 NH1 ARG A 15 16.585 -11.961 -5.504 1.00 0.00 N ATOM 200 NH2 ARG A 15 17.479 -13.057 -3.697 1.00 0.00 N ATOM 0 H ARG A 15 10.841 -13.539 -3.991 1.00 0.00 H new ATOM 0 HA ARG A 15 12.069 -12.258 -6.243 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.244 -15.151 -5.776 1.00 0.00 H new ATOM 0 HB3 ARG A 15 12.316 -14.587 -7.043 1.00 0.00 H new ATOM 0 HG2 ARG A 15 12.852 -14.395 -4.055 1.00 0.00 H new ATOM 0 HG3 ARG A 15 13.565 -15.564 -5.149 1.00 0.00 H new ATOM 0 HD2 ARG A 15 14.625 -13.731 -6.440 1.00 0.00 H new ATOM 0 HD3 ARG A 15 13.884 -12.544 -5.385 1.00 0.00 H new ATOM 0 HE ARG A 15 15.372 -14.377 -3.770 1.00 0.00 H new ATOM 0 HH11 ARG A 15 15.828 -11.834 -6.175 1.00 0.00 H new ATOM 0 HH12 ARG A 15 17.414 -11.369 -5.552 1.00 0.00 H new ATOM 0 HH21 ARG A 15 17.411 -13.775 -2.975 1.00 0.00 H new ATOM 0 HH22 ARG A 15 18.307 -12.463 -3.749 1.00 0.00 H new ATOM 214 N LYS A 16 10.472 -12.614 -8.191 1.00 0.00 N ATOM 215 CA LYS A 16 9.451 -12.516 -9.227 1.00 0.00 C ATOM 216 C LYS A 16 8.675 -13.823 -9.351 1.00 0.00 C ATOM 217 O LYS A 16 7.493 -13.823 -9.693 1.00 0.00 O ATOM 218 CB LYS A 16 10.091 -12.161 -10.571 1.00 0.00 C ATOM 219 CG LYS A 16 10.270 -10.668 -10.784 1.00 0.00 C ATOM 220 CD LYS A 16 11.373 -10.108 -9.902 1.00 0.00 C ATOM 221 CE LYS A 16 12.748 -10.542 -10.386 1.00 0.00 C ATOM 222 NZ LYS A 16 13.836 -10.007 -9.521 1.00 0.00 N ATOM 0 H LYS A 16 11.418 -12.407 -8.511 1.00 0.00 H new ATOM 0 HA LYS A 16 8.755 -11.726 -8.943 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.063 -12.649 -10.641 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.474 -12.563 -11.375 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.506 -10.474 -11.830 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.334 -10.154 -10.568 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.316 -9.020 -9.893 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.225 -10.443 -8.875 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.800 -11.631 -10.403 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.897 -10.200 -11.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.757 -10.325 -9.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.803 -8.968 -9.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.709 -10.354 -8.549 1.00 0.00 H new ATOM 236 N GLU A 17 9.348 -14.935 -9.069 1.00 0.00 N ATOM 237 CA GLU A 17 8.719 -16.248 -9.149 1.00 0.00 C ATOM 238 C GLU A 17 7.637 -16.399 -8.084 1.00 0.00 C ATOM 239 O GLU A 17 6.535 -16.872 -8.367 1.00 0.00 O ATOM 240 CB GLU A 17 9.768 -17.351 -8.986 1.00 0.00 C ATOM 241 CG GLU A 17 11.006 -17.144 -9.842 1.00 0.00 C ATOM 242 CD GLU A 17 10.707 -17.217 -11.327 1.00 0.00 C ATOM 243 OE1 GLU A 17 9.806 -17.991 -11.713 1.00 0.00 O ATOM 244 OE2 GLU A 17 11.374 -16.501 -12.103 1.00 0.00 O ATOM 0 H GLU A 17 10.327 -14.952 -8.784 1.00 0.00 H new ATOM 0 HA GLU A 17 8.254 -16.341 -10.130 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.066 -17.406 -7.939 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.317 -18.310 -9.240 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.445 -16.173 -9.611 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.750 -17.899 -9.587 1.00 0.00 H new ATOM 251 N CYS A 18 7.959 -15.995 -6.861 1.00 0.00 N ATOM 252 CA CYS A 18 7.015 -16.087 -5.752 1.00 0.00 C ATOM 253 C CYS A 18 5.918 -15.035 -5.885 1.00 0.00 C ATOM 254 O CYS A 18 4.804 -15.219 -5.391 1.00 0.00 O ATOM 255 CB CYS A 18 7.744 -15.915 -4.419 1.00 0.00 C ATOM 256 SG CYS A 18 9.249 -16.906 -4.268 1.00 0.00 S ATOM 0 H CYS A 18 8.866 -15.601 -6.611 1.00 0.00 H new ATOM 0 HA CYS A 18 6.553 -17.074 -5.780 1.00 0.00 H new ATOM 0 HB2 CYS A 18 8.000 -14.863 -4.290 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.065 -16.180 -3.609 1.00 0.00 H new ATOM 0 HG CYS A 18 9.795 -16.691 -3.108 1.00 0.00 H new ATOM 262 N LEU A 19 6.239 -13.933 -6.552 1.00 0.00 N ATOM 263 CA LEU A 19 5.282 -12.850 -6.748 1.00 0.00 C ATOM 264 C LEU A 19 4.257 -13.217 -7.818 1.00 0.00 C ATOM 265 O LEU A 19 3.071 -12.921 -7.682 1.00 0.00 O ATOM 266 CB LEU A 19 6.009 -11.564 -7.143 1.00 0.00 C ATOM 267 CG LEU A 19 6.875 -10.923 -6.057 1.00 0.00 C ATOM 268 CD1 LEU A 19 7.407 -9.577 -6.524 1.00 0.00 C ATOM 269 CD2 LEU A 19 6.084 -10.768 -4.767 1.00 0.00 C ATOM 0 H LEU A 19 7.156 -13.765 -6.967 1.00 0.00 H new ATOM 0 HA LEU A 19 4.757 -12.688 -5.807 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.641 -11.777 -8.005 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.266 -10.834 -7.465 1.00 0.00 H new ATOM 0 HG LEU A 19 7.724 -11.578 -5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.021 -9.136 -5.739 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.010 -9.716 -7.421 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.572 -8.913 -6.747 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.716 -10.310 -4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.215 -10.134 -4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.753 -11.748 -4.423 1.00 0.00 H new ATOM 281 N ALA A 20 4.724 -13.864 -8.880 1.00 0.00 N ATOM 282 CA ALA A 20 3.849 -14.275 -9.971 1.00 0.00 C ATOM 283 C ALA A 20 2.816 -15.289 -9.493 1.00 0.00 C ATOM 284 O ALA A 20 1.662 -15.264 -9.920 1.00 0.00 O ATOM 285 CB ALA A 20 4.667 -14.852 -11.116 1.00 0.00 C ATOM 0 H ALA A 20 5.704 -14.115 -9.008 1.00 0.00 H new ATOM 0 HA ALA A 20 3.317 -13.393 -10.328 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.000 -15.155 -11.923 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.362 -14.097 -11.483 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.226 -15.719 -10.763 1.00 0.00 H new ATOM 291 N VAL A 21 3.238 -16.183 -8.604 1.00 0.00 N ATOM 292 CA VAL A 21 2.349 -17.207 -8.067 1.00 0.00 C ATOM 293 C VAL A 21 1.346 -16.606 -7.089 1.00 0.00 C ATOM 294 O VAL A 21 0.173 -16.980 -7.079 1.00 0.00 O ATOM 295 CB VAL A 21 3.140 -18.320 -7.355 1.00 0.00 C ATOM 296 CG1 VAL A 21 2.214 -19.454 -6.943 1.00 0.00 C ATOM 297 CG2 VAL A 21 4.259 -18.833 -8.248 1.00 0.00 C ATOM 0 H VAL A 21 4.190 -16.219 -8.240 1.00 0.00 H new ATOM 0 HA VAL A 21 1.814 -17.637 -8.914 1.00 0.00 H new ATOM 0 HB VAL A 21 3.588 -17.903 -6.453 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.791 -20.231 -6.442 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.452 -19.073 -6.264 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.735 -19.872 -7.828 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.807 -19.619 -7.729 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.835 -19.234 -9.169 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.938 -18.014 -8.487 1.00 0.00 H new ATOM 307 N MET A 22 1.814 -15.671 -6.269 1.00 0.00 N ATOM 308 CA MET A 22 0.957 -15.016 -5.288 1.00 0.00 C ATOM 309 C MET A 22 -0.150 -14.223 -5.976 1.00 0.00 C ATOM 310 O MET A 22 -1.272 -14.147 -5.478 1.00 0.00 O ATOM 311 CB MET A 22 1.784 -14.090 -4.394 1.00 0.00 C ATOM 312 CG MET A 22 2.464 -14.808 -3.239 1.00 0.00 C ATOM 313 SD MET A 22 2.849 -13.705 -1.866 1.00 0.00 S ATOM 314 CE MET A 22 4.351 -12.933 -2.462 1.00 0.00 C ATOM 0 H MET A 22 2.782 -15.350 -6.264 1.00 0.00 H new ATOM 0 HA MET A 22 0.497 -15.788 -4.672 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.543 -13.595 -5.000 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.136 -13.310 -3.995 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.818 -15.611 -2.885 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.383 -15.272 -3.596 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.874 -12.463 -1.629 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.994 -13.688 -2.914 1.00 0.00 H new ATOM 0 HE3 MET A 22 4.101 -12.177 -3.206 1.00 0.00 H new ATOM 324 N GLU A 23 0.176 -13.634 -7.123 1.00 0.00 N ATOM 325 CA GLU A 23 -0.792 -12.846 -7.877 1.00 0.00 C ATOM 326 C GLU A 23 -1.898 -13.735 -8.439 1.00 0.00 C ATOM 327 O GLU A 23 -3.044 -13.308 -8.573 1.00 0.00 O ATOM 328 CB GLU A 23 -0.096 -12.098 -9.016 1.00 0.00 C ATOM 329 CG GLU A 23 0.402 -10.718 -8.622 1.00 0.00 C ATOM 330 CD GLU A 23 1.504 -10.213 -9.533 1.00 0.00 C ATOM 331 OE1 GLU A 23 1.408 -10.431 -10.759 1.00 0.00 O ATOM 332 OE2 GLU A 23 2.464 -9.601 -9.019 1.00 0.00 O ATOM 0 H GLU A 23 1.101 -13.688 -7.549 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.242 -12.122 -7.197 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.747 -12.692 -9.368 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.789 -12.000 -9.852 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.431 -10.016 -8.642 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.769 -10.748 -7.596 1.00 0.00 H new ATOM 339 N SER A 24 -1.545 -14.974 -8.765 1.00 0.00 N ATOM 340 CA SER A 24 -2.505 -15.923 -9.317 1.00 0.00 C ATOM 341 C SER A 24 -3.541 -16.319 -8.269 1.00 0.00 C ATOM 342 O SER A 24 -4.744 -16.298 -8.530 1.00 0.00 O ATOM 343 CB SER A 24 -1.784 -17.169 -9.833 1.00 0.00 C ATOM 344 OG SER A 24 -2.669 -18.009 -10.553 1.00 0.00 O ATOM 0 H SER A 24 -0.601 -15.344 -8.656 1.00 0.00 H new ATOM 0 HA SER A 24 -3.019 -15.440 -10.148 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.955 -16.873 -10.476 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.357 -17.719 -8.995 1.00 0.00 H new ATOM 0 HG SER A 24 -2.183 -18.798 -10.873 1.00 0.00 H new ATOM 350 N TYR A 25 -3.064 -16.678 -7.082 1.00 0.00 N ATOM 351 CA TYR A 25 -3.948 -17.081 -5.994 1.00 0.00 C ATOM 352 C TYR A 25 -4.806 -15.909 -5.526 1.00 0.00 C ATOM 353 O TYR A 25 -5.957 -16.087 -5.129 1.00 0.00 O ATOM 354 CB TYR A 25 -3.131 -17.629 -4.822 1.00 0.00 C ATOM 355 CG TYR A 25 -2.760 -19.087 -4.972 1.00 0.00 C ATOM 356 CD1 TYR A 25 -1.886 -19.502 -5.969 1.00 0.00 C ATOM 357 CD2 TYR A 25 -3.285 -20.049 -4.118 1.00 0.00 C ATOM 358 CE1 TYR A 25 -1.544 -20.834 -6.110 1.00 0.00 C ATOM 359 CE2 TYR A 25 -2.948 -21.382 -4.251 1.00 0.00 C ATOM 360 CZ TYR A 25 -2.078 -21.770 -5.249 1.00 0.00 C ATOM 361 OH TYR A 25 -1.741 -23.097 -5.385 1.00 0.00 O ATOM 0 H TYR A 25 -2.071 -16.698 -6.849 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.608 -17.864 -6.367 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.220 -17.040 -4.718 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.700 -17.500 -3.901 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.467 -18.772 -6.645 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.968 -19.750 -3.337 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.863 -21.140 -6.890 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.363 -22.117 -3.577 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.202 -23.624 -4.699 1.00 0.00 H new ATOM 371 N PHE A 26 -4.236 -14.710 -5.578 1.00 0.00 N ATOM 372 CA PHE A 26 -4.947 -13.507 -5.159 1.00 0.00 C ATOM 373 C PHE A 26 -6.120 -13.217 -6.091 1.00 0.00 C ATOM 374 O PHE A 26 -7.165 -12.733 -5.659 1.00 0.00 O ATOM 375 CB PHE A 26 -3.995 -12.310 -5.132 1.00 0.00 C ATOM 376 CG PHE A 26 -4.588 -11.087 -4.492 1.00 0.00 C ATOM 377 CD1 PHE A 26 -4.457 -10.869 -3.130 1.00 0.00 C ATOM 378 CD2 PHE A 26 -5.275 -10.155 -5.252 1.00 0.00 C ATOM 379 CE1 PHE A 26 -5.003 -9.746 -2.538 1.00 0.00 C ATOM 380 CE2 PHE A 26 -5.822 -9.029 -4.667 1.00 0.00 C ATOM 381 CZ PHE A 26 -5.685 -8.824 -3.308 1.00 0.00 C ATOM 0 H PHE A 26 -3.284 -14.545 -5.906 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.336 -13.676 -4.155 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.089 -12.589 -4.594 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.698 -12.069 -6.153 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.922 -11.585 -2.524 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.385 -10.310 -6.315 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.897 -9.589 -1.475 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.356 -8.310 -5.271 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.110 -7.944 -2.848 1.00 0.00 H new ATOM 391 N ASN A 27 -5.937 -13.516 -7.373 1.00 0.00 N ATOM 392 CA ASN A 27 -6.979 -13.287 -8.368 1.00 0.00 C ATOM 393 C ASN A 27 -8.188 -14.180 -8.105 1.00 0.00 C ATOM 394 O ASN A 27 -9.330 -13.769 -8.305 1.00 0.00 O ATOM 395 CB ASN A 27 -6.436 -13.545 -9.775 1.00 0.00 C ATOM 396 CG ASN A 27 -5.709 -12.342 -10.344 1.00 0.00 C ATOM 397 OD1 ASN A 27 -6.034 -11.862 -11.430 1.00 0.00 O ATOM 398 ND2 ASN A 27 -4.718 -11.848 -9.610 1.00 0.00 N ATOM 0 H ASN A 27 -5.077 -13.917 -7.747 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.295 -12.247 -8.294 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.757 -14.397 -9.749 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.260 -13.814 -10.436 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.192 -11.039 -9.941 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.483 -12.278 -8.715 1.00 0.00 H new ATOM 405 N GLU A 28 -7.926 -15.403 -7.656 1.00 0.00 N ATOM 406 CA GLU A 28 -8.993 -16.354 -7.366 1.00 0.00 C ATOM 407 C GLU A 28 -9.579 -16.109 -5.978 1.00 0.00 C ATOM 408 O GLU A 28 -10.772 -16.307 -5.753 1.00 0.00 O ATOM 409 CB GLU A 28 -8.469 -17.788 -7.464 1.00 0.00 C ATOM 410 CG GLU A 28 -7.571 -18.189 -6.305 1.00 0.00 C ATOM 411 CD GLU A 28 -7.439 -19.693 -6.163 1.00 0.00 C ATOM 412 OE1 GLU A 28 -8.454 -20.397 -6.347 1.00 0.00 O ATOM 413 OE2 GLU A 28 -6.321 -20.165 -5.868 1.00 0.00 O ATOM 0 H GLU A 28 -6.985 -15.759 -7.485 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.782 -16.211 -8.105 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.316 -18.473 -7.510 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.916 -17.901 -8.397 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.582 -17.753 -6.449 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.971 -17.774 -5.380 1.00 0.00 H new ATOM 420 N ASN A 29 -8.729 -15.677 -5.052 1.00 0.00 N ATOM 421 CA ASN A 29 -9.161 -15.406 -3.686 1.00 0.00 C ATOM 422 C ASN A 29 -8.251 -14.377 -3.022 1.00 0.00 C ATOM 423 O ASN A 29 -7.040 -14.574 -2.928 1.00 0.00 O ATOM 424 CB ASN A 29 -9.172 -16.698 -2.866 1.00 0.00 C ATOM 425 CG ASN A 29 -9.891 -16.536 -1.541 1.00 0.00 C ATOM 426 OD1 ASN A 29 -10.089 -15.419 -1.062 1.00 0.00 O ATOM 427 ND2 ASN A 29 -10.287 -17.653 -0.942 1.00 0.00 N ATOM 0 H ASN A 29 -7.738 -15.507 -5.223 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.172 -15.000 -3.725 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.653 -17.487 -3.443 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -8.146 -17.018 -2.683 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -10.777 -17.607 -0.048 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -10.102 -18.557 -1.375 1.00 0.00 H new ATOM 434 N GLN A 30 -8.844 -13.279 -2.564 1.00 0.00 N ATOM 435 CA GLN A 30 -8.087 -12.219 -1.909 1.00 0.00 C ATOM 436 C GLN A 30 -7.514 -12.700 -0.580 1.00 0.00 C ATOM 437 O GLN A 30 -6.406 -12.324 -0.198 1.00 0.00 O ATOM 438 CB GLN A 30 -8.976 -10.995 -1.681 1.00 0.00 C ATOM 439 CG GLN A 30 -9.597 -10.448 -2.956 1.00 0.00 C ATOM 440 CD GLN A 30 -8.602 -9.685 -3.809 1.00 0.00 C ATOM 441 OE1 GLN A 30 -8.104 -10.198 -4.811 1.00 0.00 O ATOM 442 NE2 GLN A 30 -8.308 -8.451 -3.415 1.00 0.00 N ATOM 0 H GLN A 30 -9.846 -13.100 -2.634 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.259 -11.942 -2.562 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.771 -11.259 -0.984 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.385 -10.210 -1.209 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.011 -11.272 -3.537 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.428 -9.791 -2.698 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.745 -8.065 -2.578 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.646 -7.889 -3.950 1.00 0.00 H new ATOM 451 N TYR A 31 -8.275 -13.534 0.119 1.00 0.00 N ATOM 452 CA TYR A 31 -7.844 -14.065 1.407 1.00 0.00 C ATOM 453 C TYR A 31 -7.754 -15.588 1.366 1.00 0.00 C ATOM 454 O TYR A 31 -8.721 -16.300 1.635 1.00 0.00 O ATOM 455 CB TYR A 31 -8.810 -13.630 2.511 1.00 0.00 C ATOM 456 CG TYR A 31 -9.287 -12.203 2.370 1.00 0.00 C ATOM 457 CD1 TYR A 31 -10.181 -11.844 1.368 1.00 0.00 C ATOM 458 CD2 TYR A 31 -8.844 -11.212 3.238 1.00 0.00 C ATOM 459 CE1 TYR A 31 -10.619 -10.540 1.235 1.00 0.00 C ATOM 460 CE2 TYR A 31 -9.278 -9.907 3.114 1.00 0.00 C ATOM 461 CZ TYR A 31 -10.165 -9.576 2.110 1.00 0.00 C ATOM 462 OH TYR A 31 -10.600 -8.276 1.982 1.00 0.00 O ATOM 0 H TYR A 31 -9.194 -13.857 -0.184 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.853 -13.666 1.622 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.674 -14.295 2.509 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.320 -13.747 3.478 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.539 -12.597 0.682 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.148 -11.467 4.023 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.313 -10.278 0.450 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -8.925 -9.150 3.799 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.186 -7.723 2.677 1.00 0.00 H new ATOM 472 N PRO A 32 -6.563 -16.100 1.021 1.00 0.00 N ATOM 473 CA PRO A 32 -6.316 -17.542 0.937 1.00 0.00 C ATOM 474 C PRO A 32 -6.317 -18.211 2.308 1.00 0.00 C ATOM 475 O PRO A 32 -5.577 -17.808 3.206 1.00 0.00 O ATOM 476 CB PRO A 32 -4.926 -17.628 0.302 1.00 0.00 C ATOM 477 CG PRO A 32 -4.269 -16.338 0.653 1.00 0.00 C ATOM 478 CD PRO A 32 -5.366 -15.310 0.687 1.00 0.00 C ATOM 0 HA PRO A 32 -7.092 -18.056 0.369 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.365 -18.477 0.692 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.992 -17.758 -0.778 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.768 -16.406 1.618 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.510 -16.074 -0.083 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.172 -14.540 1.433 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.473 -14.804 -0.273 1.00 0.00 H new ATOM 486 N ASP A 33 -7.150 -19.234 2.461 1.00 0.00 N ATOM 487 CA ASP A 33 -7.246 -19.960 3.722 1.00 0.00 C ATOM 488 C ASP A 33 -5.876 -20.466 4.163 1.00 0.00 C ATOM 489 O ASP A 33 -4.871 -20.228 3.493 1.00 0.00 O ATOM 490 CB ASP A 33 -8.217 -21.134 3.587 1.00 0.00 C ATOM 491 CG ASP A 33 -9.632 -20.682 3.281 1.00 0.00 C ATOM 492 OD1 ASP A 33 -9.806 -19.865 2.353 1.00 0.00 O ATOM 493 OD2 ASP A 33 -10.565 -21.145 3.971 1.00 0.00 O ATOM 0 H ASP A 33 -7.769 -19.580 1.727 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.622 -19.273 4.480 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.872 -21.798 2.795 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.215 -21.712 4.511 1.00 0.00 H new ATOM 498 N GLU A 34 -5.844 -21.162 5.295 1.00 0.00 N ATOM 499 CA GLU A 34 -4.596 -21.699 5.826 1.00 0.00 C ATOM 500 C GLU A 34 -3.973 -22.693 4.850 1.00 0.00 C ATOM 501 O GLU A 34 -2.781 -22.624 4.554 1.00 0.00 O ATOM 502 CB GLU A 34 -4.841 -22.378 7.175 1.00 0.00 C ATOM 503 CG GLU A 34 -5.986 -21.767 7.965 1.00 0.00 C ATOM 504 CD GLU A 34 -5.893 -22.061 9.450 1.00 0.00 C ATOM 505 OE1 GLU A 34 -4.927 -21.595 10.089 1.00 0.00 O ATOM 506 OE2 GLU A 34 -6.788 -22.758 9.973 1.00 0.00 O ATOM 0 H GLU A 34 -6.667 -21.367 5.862 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.903 -20.869 5.965 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.049 -23.435 7.008 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.930 -22.323 7.771 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.993 -20.688 7.812 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.932 -22.149 7.581 1.00 0.00 H new ATOM 513 N ALA A 35 -4.789 -23.618 4.354 1.00 0.00 N ATOM 514 CA ALA A 35 -4.319 -24.625 3.411 1.00 0.00 C ATOM 515 C ALA A 35 -3.938 -23.992 2.077 1.00 0.00 C ATOM 516 O ALA A 35 -2.966 -24.399 1.441 1.00 0.00 O ATOM 517 CB ALA A 35 -5.383 -25.693 3.206 1.00 0.00 C ATOM 0 H ALA A 35 -5.779 -23.690 4.590 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.427 -25.092 3.830 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.019 -26.439 2.499 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.604 -26.174 4.159 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.289 -25.233 2.813 1.00 0.00 H new ATOM 523 N LYS A 36 -4.709 -22.995 1.658 1.00 0.00 N ATOM 524 CA LYS A 36 -4.453 -22.305 0.400 1.00 0.00 C ATOM 525 C LYS A 36 -3.107 -21.589 0.437 1.00 0.00 C ATOM 526 O LYS A 36 -2.360 -21.600 -0.542 1.00 0.00 O ATOM 527 CB LYS A 36 -5.569 -21.300 0.109 1.00 0.00 C ATOM 528 CG LYS A 36 -5.491 -20.688 -1.279 1.00 0.00 C ATOM 529 CD LYS A 36 -5.900 -21.684 -2.351 1.00 0.00 C ATOM 530 CE LYS A 36 -7.402 -21.659 -2.591 1.00 0.00 C ATOM 531 NZ LYS A 36 -7.806 -20.519 -3.459 1.00 0.00 N ATOM 0 H LYS A 36 -5.518 -22.646 2.172 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.427 -23.050 -0.395 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.532 -21.797 0.224 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.531 -20.503 0.851 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.138 -19.812 -1.329 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.474 -20.344 -1.469 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.378 -21.455 -3.280 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.595 -22.687 -2.053 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.711 -22.596 -3.055 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.921 -21.590 -1.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.345 -19.829 -2.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.957 -20.061 -3.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.398 -20.869 -4.239 1.00 0.00 H new ATOM 545 N ARG A 37 -2.802 -20.969 1.572 1.00 0.00 N ATOM 546 CA ARG A 37 -1.546 -20.248 1.736 1.00 0.00 C ATOM 547 C ARG A 37 -0.355 -21.193 1.600 1.00 0.00 C ATOM 548 O ARG A 37 0.638 -20.865 0.952 1.00 0.00 O ATOM 549 CB ARG A 37 -1.506 -19.552 3.098 1.00 0.00 C ATOM 550 CG ARG A 37 -2.346 -18.288 3.160 1.00 0.00 C ATOM 551 CD ARG A 37 -1.954 -17.416 4.343 1.00 0.00 C ATOM 552 NE ARG A 37 -2.687 -17.774 5.554 1.00 0.00 N ATOM 553 CZ ARG A 37 -2.313 -18.746 6.379 1.00 0.00 C ATOM 554 NH1 ARG A 37 -1.220 -19.452 6.125 1.00 0.00 N ATOM 555 NH2 ARG A 37 -3.032 -19.012 7.462 1.00 0.00 N ATOM 0 H ARG A 37 -3.408 -20.952 2.392 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.483 -19.496 0.950 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.854 -20.247 3.862 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.473 -19.304 3.340 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.225 -17.724 2.235 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.400 -18.554 3.236 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.884 -17.512 4.525 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.143 -16.370 4.101 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.532 -17.249 5.779 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.664 -19.250 5.294 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.935 -20.198 6.760 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.873 -18.470 7.662 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.744 -19.758 8.095 1.00 0.00 H new ATOM 569 N GLU A 38 -0.464 -22.366 2.216 1.00 0.00 N ATOM 570 CA GLU A 38 0.604 -23.357 2.165 1.00 0.00 C ATOM 571 C GLU A 38 0.780 -23.894 0.747 1.00 0.00 C ATOM 572 O GLU A 38 1.896 -24.184 0.317 1.00 0.00 O ATOM 573 CB GLU A 38 0.307 -24.510 3.126 1.00 0.00 C ATOM 574 CG GLU A 38 0.756 -24.245 4.553 1.00 0.00 C ATOM 575 CD GLU A 38 0.239 -25.283 5.530 1.00 0.00 C ATOM 576 OE1 GLU A 38 0.902 -26.329 5.688 1.00 0.00 O ATOM 577 OE2 GLU A 38 -0.828 -25.049 6.135 1.00 0.00 O ATOM 0 H GLU A 38 -1.281 -22.653 2.756 1.00 0.00 H new ATOM 0 HA GLU A 38 1.531 -22.871 2.469 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.765 -24.708 3.122 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.799 -25.412 2.761 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.845 -24.228 4.590 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.411 -23.258 4.861 1.00 0.00 H new ATOM 584 N GLU A 39 -0.330 -24.024 0.028 1.00 0.00 N ATOM 585 CA GLU A 39 -0.298 -24.528 -1.340 1.00 0.00 C ATOM 586 C GLU A 39 0.407 -23.541 -2.267 1.00 0.00 C ATOM 587 O GLU A 39 1.258 -23.927 -3.069 1.00 0.00 O ATOM 588 CB GLU A 39 -1.719 -24.791 -1.843 1.00 0.00 C ATOM 589 CG GLU A 39 -1.783 -25.784 -2.993 1.00 0.00 C ATOM 590 CD GLU A 39 -1.405 -27.190 -2.571 1.00 0.00 C ATOM 591 OE1 GLU A 39 -0.194 -27.496 -2.546 1.00 0.00 O ATOM 592 OE2 GLU A 39 -2.318 -27.985 -2.266 1.00 0.00 O ATOM 0 H GLU A 39 -1.262 -23.788 0.369 1.00 0.00 H new ATOM 0 HA GLU A 39 0.260 -25.464 -1.342 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.325 -25.164 -1.017 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.163 -23.848 -2.163 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.792 -25.791 -3.406 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.115 -25.456 -3.789 1.00 0.00 H new ATOM 599 N ILE A 40 0.045 -22.268 -2.151 1.00 0.00 N ATOM 600 CA ILE A 40 0.643 -21.227 -2.977 1.00 0.00 C ATOM 601 C ILE A 40 2.081 -20.948 -2.556 1.00 0.00 C ATOM 602 O ILE A 40 2.918 -20.575 -3.377 1.00 0.00 O ATOM 603 CB ILE A 40 -0.164 -19.917 -2.903 1.00 0.00 C ATOM 604 CG1 ILE A 40 0.261 -18.965 -4.023 1.00 0.00 C ATOM 605 CG2 ILE A 40 0.018 -19.259 -1.543 1.00 0.00 C ATOM 606 CD1 ILE A 40 1.635 -18.366 -3.817 1.00 0.00 C ATOM 0 H ILE A 40 -0.659 -21.933 -1.493 1.00 0.00 H new ATOM 0 HA ILE A 40 0.632 -21.594 -4.003 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.221 -20.151 -3.033 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.246 -19.503 -4.971 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.470 -18.160 -4.102 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.558 -18.335 -1.506 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.330 -19.935 -0.762 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.073 -19.035 -1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.871 -17.702 -4.648 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.649 -17.800 -2.885 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.376 -19.164 -3.769 1.00 0.00 H new ATOM 618 N ALA A 41 2.363 -21.135 -1.270 1.00 0.00 N ATOM 619 CA ALA A 41 3.701 -20.908 -0.740 1.00 0.00 C ATOM 620 C ALA A 41 4.667 -21.992 -1.206 1.00 0.00 C ATOM 621 O ALA A 41 5.795 -21.703 -1.603 1.00 0.00 O ATOM 622 CB ALA A 41 3.664 -20.849 0.780 1.00 0.00 C ATOM 0 H ALA A 41 1.682 -21.443 -0.576 1.00 0.00 H new ATOM 0 HA ALA A 41 4.058 -19.951 -1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.671 -20.679 1.162 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.013 -20.034 1.097 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.282 -21.792 1.172 1.00 0.00 H new ATOM 628 N ASN A 42 4.216 -23.242 -1.154 1.00 0.00 N ATOM 629 CA ASN A 42 5.042 -24.370 -1.570 1.00 0.00 C ATOM 630 C ASN A 42 5.499 -24.206 -3.016 1.00 0.00 C ATOM 631 O ASN A 42 6.651 -24.484 -3.349 1.00 0.00 O ATOM 632 CB ASN A 42 4.268 -25.680 -1.413 1.00 0.00 C ATOM 633 CG ASN A 42 4.441 -26.293 -0.037 1.00 0.00 C ATOM 634 OD1 ASN A 42 4.890 -27.431 0.096 1.00 0.00 O ATOM 635 ND2 ASN A 42 4.083 -25.539 0.996 1.00 0.00 N ATOM 0 H ASN A 42 3.284 -23.499 -0.828 1.00 0.00 H new ATOM 0 HA ASN A 42 5.924 -24.398 -0.930 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.209 -25.497 -1.596 1.00 0.00 H new ATOM 0 HB3 ASN A 42 4.604 -26.390 -2.169 1.00 0.00 H new ATOM 0 HD21 ASN A 42 4.176 -25.898 1.946 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.715 -24.601 0.839 1.00 0.00 H new ATOM 642 N ALA A 43 4.589 -23.751 -3.871 1.00 0.00 N ATOM 643 CA ALA A 43 4.899 -23.547 -5.280 1.00 0.00 C ATOM 644 C ALA A 43 5.967 -22.473 -5.458 1.00 0.00 C ATOM 645 O ALA A 43 6.819 -22.572 -6.341 1.00 0.00 O ATOM 646 CB ALA A 43 3.640 -23.174 -6.049 1.00 0.00 C ATOM 0 H ALA A 43 3.631 -23.517 -3.612 1.00 0.00 H new ATOM 0 HA ALA A 43 5.292 -24.482 -5.679 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.887 -23.025 -7.100 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.907 -23.976 -5.959 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.223 -22.254 -5.640 1.00 0.00 H new ATOM 652 N CYS A 44 5.914 -21.448 -4.614 1.00 0.00 N ATOM 653 CA CYS A 44 6.877 -20.355 -4.679 1.00 0.00 C ATOM 654 C CYS A 44 8.287 -20.852 -4.377 1.00 0.00 C ATOM 655 O CYS A 44 9.252 -20.439 -5.018 1.00 0.00 O ATOM 656 CB CYS A 44 6.492 -19.249 -3.695 1.00 0.00 C ATOM 657 SG CYS A 44 4.965 -18.380 -4.122 1.00 0.00 S ATOM 0 H CYS A 44 5.215 -21.351 -3.878 1.00 0.00 H new ATOM 0 HA CYS A 44 6.863 -19.952 -5.692 1.00 0.00 H new ATOM 0 HB2 CYS A 44 6.385 -19.683 -2.701 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.306 -18.526 -3.641 1.00 0.00 H new ATOM 0 HG CYS A 44 4.722 -17.466 -3.230 1.00 0.00 H new ATOM 663 N ASN A 45 8.397 -21.742 -3.396 1.00 0.00 N ATOM 664 CA ASN A 45 9.689 -22.295 -3.007 1.00 0.00 C ATOM 665 C ASN A 45 10.253 -23.187 -4.109 1.00 0.00 C ATOM 666 O ASN A 45 11.466 -23.262 -4.302 1.00 0.00 O ATOM 667 CB ASN A 45 9.556 -23.092 -1.708 1.00 0.00 C ATOM 668 CG ASN A 45 9.617 -22.206 -0.478 1.00 0.00 C ATOM 669 OD1 ASN A 45 10.481 -21.336 -0.368 1.00 0.00 O ATOM 670 ND2 ASN A 45 8.697 -22.426 0.454 1.00 0.00 N ATOM 0 H ASN A 45 7.607 -22.096 -2.856 1.00 0.00 H new ATOM 0 HA ASN A 45 10.378 -21.466 -2.847 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.612 -23.637 -1.714 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.352 -23.835 -1.657 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.687 -21.862 1.304 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.000 -23.158 0.320 1.00 0.00 H new ATOM 677 N ALA A 46 9.363 -23.862 -4.829 1.00 0.00 N ATOM 678 CA ALA A 46 9.771 -24.748 -5.913 1.00 0.00 C ATOM 679 C ALA A 46 10.298 -23.952 -7.103 1.00 0.00 C ATOM 680 O ALA A 46 11.357 -24.261 -7.648 1.00 0.00 O ATOM 681 CB ALA A 46 8.607 -25.630 -6.340 1.00 0.00 C ATOM 0 H ALA A 46 8.355 -23.812 -4.681 1.00 0.00 H new ATOM 0 HA ALA A 46 10.578 -25.382 -5.547 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.926 -26.286 -7.150 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.277 -26.232 -5.493 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.783 -25.004 -6.683 1.00 0.00 H new ATOM 687 N VAL A 47 9.551 -22.927 -7.501 1.00 0.00 N ATOM 688 CA VAL A 47 9.943 -22.087 -8.626 1.00 0.00 C ATOM 689 C VAL A 47 11.311 -21.456 -8.390 1.00 0.00 C ATOM 690 O VAL A 47 12.075 -21.237 -9.331 1.00 0.00 O ATOM 691 CB VAL A 47 8.912 -20.970 -8.879 1.00 0.00 C ATOM 692 CG1 VAL A 47 7.639 -21.546 -9.479 1.00 0.00 C ATOM 693 CG2 VAL A 47 8.613 -20.220 -7.590 1.00 0.00 C ATOM 0 H VAL A 47 8.671 -22.659 -7.061 1.00 0.00 H new ATOM 0 HA VAL A 47 9.990 -22.733 -9.502 1.00 0.00 H new ATOM 0 HB VAL A 47 9.334 -20.263 -9.593 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.922 -20.743 -9.651 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.871 -22.034 -10.426 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.210 -22.274 -8.791 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.883 -19.435 -7.787 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.210 -20.913 -6.851 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.531 -19.774 -7.207 1.00 0.00 H new ATOM 703 N ILE A 48 11.614 -21.167 -7.129 1.00 0.00 N ATOM 704 CA ILE A 48 12.891 -20.564 -6.770 1.00 0.00 C ATOM 705 C ILE A 48 13.943 -21.630 -6.485 1.00 0.00 C ATOM 706 O ILE A 48 15.120 -21.455 -6.799 1.00 0.00 O ATOM 707 CB ILE A 48 12.755 -19.650 -5.537 1.00 0.00 C ATOM 708 CG1 ILE A 48 12.463 -20.484 -4.288 1.00 0.00 C ATOM 709 CG2 ILE A 48 11.660 -18.619 -5.761 1.00 0.00 C ATOM 710 CD1 ILE A 48 12.399 -19.665 -3.017 1.00 0.00 C ATOM 0 H ILE A 48 10.992 -21.341 -6.339 1.00 0.00 H new ATOM 0 HA ILE A 48 13.207 -19.965 -7.624 1.00 0.00 H new ATOM 0 HB ILE A 48 13.697 -19.123 -5.387 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.516 -21.006 -4.423 1.00 0.00 H new ATOM 0 HG13 ILE A 48 13.235 -21.246 -4.181 1.00 0.00 H new ATOM 0 HG21 ILE A 48 11.576 -17.981 -4.881 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.907 -18.009 -6.630 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.711 -19.127 -5.933 1.00 0.00 H new ATOM 0 HD11 ILE A 48 12.189 -20.321 -2.172 1.00 0.00 H new ATOM 0 HD12 ILE A 48 13.354 -19.164 -2.859 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.608 -18.920 -3.104 1.00 0.00 H new ATOM 722 N GLN A 49 13.509 -22.737 -5.890 1.00 0.00 N ATOM 723 CA GLN A 49 14.414 -23.833 -5.563 1.00 0.00 C ATOM 724 C GLN A 49 15.279 -24.201 -6.764 1.00 0.00 C ATOM 725 O GLN A 49 14.770 -24.610 -7.808 1.00 0.00 O ATOM 726 CB GLN A 49 13.620 -25.055 -5.098 1.00 0.00 C ATOM 727 CG GLN A 49 14.485 -26.277 -4.833 1.00 0.00 C ATOM 728 CD GLN A 49 13.870 -27.218 -3.816 1.00 0.00 C ATOM 729 OE1 GLN A 49 12.770 -27.733 -4.015 1.00 0.00 O ATOM 730 NE2 GLN A 49 14.580 -27.447 -2.717 1.00 0.00 N ATOM 0 H GLN A 49 12.537 -22.898 -5.625 1.00 0.00 H new ATOM 0 HA GLN A 49 15.067 -23.503 -4.755 1.00 0.00 H new ATOM 0 HB2 GLN A 49 13.077 -24.800 -4.188 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.876 -25.304 -5.854 1.00 0.00 H new ATOM 0 HG2 GLN A 49 14.646 -26.813 -5.768 1.00 0.00 H new ATOM 0 HG3 GLN A 49 15.464 -25.954 -4.478 1.00 0.00 H new ATOM 0 HE21 GLN A 49 15.488 -26.998 -2.594 1.00 0.00 H new ATOM 0 HE22 GLN A 49 14.217 -28.071 -1.997 1.00 0.00 H new ATOM 739 N LYS A 50 16.590 -24.052 -6.610 1.00 0.00 N ATOM 740 CA LYS A 50 17.528 -24.369 -7.681 1.00 0.00 C ATOM 741 C LYS A 50 18.118 -25.763 -7.492 1.00 0.00 C ATOM 742 O LYS A 50 18.268 -26.253 -6.373 1.00 0.00 O ATOM 743 CB LYS A 50 18.651 -23.330 -7.727 1.00 0.00 C ATOM 744 CG LYS A 50 18.152 -21.900 -7.838 1.00 0.00 C ATOM 745 CD LYS A 50 19.271 -20.899 -7.600 1.00 0.00 C ATOM 746 CE LYS A 50 18.726 -19.549 -7.159 1.00 0.00 C ATOM 747 NZ LYS A 50 18.231 -18.747 -8.312 1.00 0.00 N ATOM 0 H LYS A 50 17.028 -23.713 -5.753 1.00 0.00 H new ATOM 0 HA LYS A 50 16.984 -24.349 -8.625 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.259 -23.425 -6.828 1.00 0.00 H new ATOM 0 HB3 LYS A 50 19.300 -23.546 -8.575 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.723 -21.739 -8.827 1.00 0.00 H new ATOM 0 HG3 LYS A 50 17.354 -21.735 -7.114 1.00 0.00 H new ATOM 0 HD2 LYS A 50 19.950 -21.285 -6.840 1.00 0.00 H new ATOM 0 HD3 LYS A 50 19.852 -20.777 -8.514 1.00 0.00 H new ATOM 0 HE2 LYS A 50 17.915 -19.700 -6.447 1.00 0.00 H new ATOM 0 HE3 LYS A 50 19.507 -18.994 -6.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 17.868 -17.834 -7.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.011 -18.581 -8.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 17.468 -19.265 -8.793 1.00 0.00 H new ATOM 761 N PRO A 51 18.462 -26.417 -8.612 1.00 0.00 N ATOM 762 CA PRO A 51 19.043 -27.762 -8.595 1.00 0.00 C ATOM 763 C PRO A 51 20.461 -27.775 -8.035 1.00 0.00 C ATOM 764 O PRO A 51 21.315 -27.001 -8.464 1.00 0.00 O ATOM 765 CB PRO A 51 19.048 -28.165 -10.072 1.00 0.00 C ATOM 766 CG PRO A 51 19.084 -26.874 -10.816 1.00 0.00 C ATOM 767 CD PRO A 51 18.311 -25.892 -9.979 1.00 0.00 C ATOM 0 HA PRO A 51 18.479 -28.441 -7.955 1.00 0.00 H new ATOM 0 HB2 PRO A 51 19.913 -28.784 -10.311 1.00 0.00 H new ATOM 0 HB3 PRO A 51 18.161 -28.745 -10.327 1.00 0.00 H new ATOM 0 HG2 PRO A 51 20.110 -26.538 -10.964 1.00 0.00 H new ATOM 0 HG3 PRO A 51 18.637 -26.981 -11.805 1.00 0.00 H new ATOM 0 HD2 PRO A 51 18.713 -24.883 -10.069 1.00 0.00 H new ATOM 0 HD3 PRO A 51 17.264 -25.845 -10.278 1.00 0.00 H new ATOM 775 N GLY A 52 20.705 -28.660 -7.073 1.00 0.00 N ATOM 776 CA GLY A 52 22.021 -28.756 -6.470 1.00 0.00 C ATOM 777 C GLY A 52 22.302 -27.620 -5.506 1.00 0.00 C ATOM 778 O GLY A 52 23.455 -27.357 -5.164 1.00 0.00 O ATOM 0 H GLY A 52 20.015 -29.312 -6.701 1.00 0.00 H new ATOM 0 HA2 GLY A 52 22.107 -29.706 -5.942 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.777 -28.758 -7.255 1.00 0.00 H new ATOM 782 N LYS A 53 21.246 -26.943 -5.068 1.00 0.00 N ATOM 783 CA LYS A 53 21.383 -25.828 -4.139 1.00 0.00 C ATOM 784 C LYS A 53 20.507 -26.036 -2.907 1.00 0.00 C ATOM 785 O LYS A 53 19.563 -26.826 -2.930 1.00 0.00 O ATOM 786 CB LYS A 53 21.010 -24.514 -4.828 1.00 0.00 C ATOM 787 CG LYS A 53 22.178 -23.844 -5.532 1.00 0.00 C ATOM 788 CD LYS A 53 22.373 -24.395 -6.935 1.00 0.00 C ATOM 789 CE LYS A 53 23.653 -23.869 -7.567 1.00 0.00 C ATOM 790 NZ LYS A 53 23.894 -24.467 -8.909 1.00 0.00 N ATOM 0 H LYS A 53 20.285 -27.147 -5.342 1.00 0.00 H new ATOM 0 HA LYS A 53 22.424 -25.780 -3.819 1.00 0.00 H new ATOM 0 HB2 LYS A 53 20.220 -24.706 -5.554 1.00 0.00 H new ATOM 0 HB3 LYS A 53 20.601 -23.828 -4.086 1.00 0.00 H new ATOM 0 HG2 LYS A 53 22.005 -22.769 -5.583 1.00 0.00 H new ATOM 0 HG3 LYS A 53 23.088 -23.993 -4.951 1.00 0.00 H new ATOM 0 HD2 LYS A 53 22.405 -25.484 -6.898 1.00 0.00 H new ATOM 0 HD3 LYS A 53 21.520 -24.122 -7.556 1.00 0.00 H new ATOM 0 HE2 LYS A 53 23.594 -22.784 -7.658 1.00 0.00 H new ATOM 0 HE3 LYS A 53 24.498 -24.089 -6.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 24.775 -24.084 -9.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 23.975 -25.500 -8.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 23.100 -24.236 -9.540 1.00 0.00 H new ATOM 804 N LYS A 54 20.824 -25.319 -1.834 1.00 0.00 N ATOM 805 CA LYS A 54 20.064 -25.422 -0.594 1.00 0.00 C ATOM 806 C LYS A 54 19.273 -24.144 -0.333 1.00 0.00 C ATOM 807 O LYS A 54 19.832 -23.047 -0.321 1.00 0.00 O ATOM 808 CB LYS A 54 21.002 -25.702 0.582 1.00 0.00 C ATOM 809 CG LYS A 54 20.311 -25.670 1.934 1.00 0.00 C ATOM 810 CD LYS A 54 21.315 -25.633 3.073 1.00 0.00 C ATOM 811 CE LYS A 54 21.936 -24.252 3.224 1.00 0.00 C ATOM 812 NZ LYS A 54 22.852 -24.181 4.396 1.00 0.00 N ATOM 0 H LYS A 54 21.602 -24.660 -1.798 1.00 0.00 H new ATOM 0 HA LYS A 54 19.362 -26.249 -0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 54 21.463 -26.680 0.443 1.00 0.00 H new ATOM 0 HB3 LYS A 54 21.806 -24.966 0.577 1.00 0.00 H new ATOM 0 HG2 LYS A 54 19.662 -24.796 1.991 1.00 0.00 H new ATOM 0 HG3 LYS A 54 19.673 -26.548 2.038 1.00 0.00 H new ATOM 0 HD2 LYS A 54 20.822 -25.915 4.003 1.00 0.00 H new ATOM 0 HD3 LYS A 54 22.099 -26.368 2.892 1.00 0.00 H new ATOM 0 HE2 LYS A 54 22.486 -24.000 2.317 1.00 0.00 H new ATOM 0 HE3 LYS A 54 21.146 -23.509 3.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 23.255 -23.225 4.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 22.322 -24.396 5.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 23.620 -24.872 4.279 1.00 0.00 H new ATOM 826 N LEU A 55 17.970 -24.293 -0.123 1.00 0.00 N ATOM 827 CA LEU A 55 17.101 -23.150 0.140 1.00 0.00 C ATOM 828 C LEU A 55 17.361 -22.578 1.530 1.00 0.00 C ATOM 829 O LEU A 55 17.586 -23.320 2.486 1.00 0.00 O ATOM 830 CB LEU A 55 15.633 -23.560 0.010 1.00 0.00 C ATOM 831 CG LEU A 55 15.078 -23.623 -1.413 1.00 0.00 C ATOM 832 CD1 LEU A 55 13.604 -24.000 -1.395 1.00 0.00 C ATOM 833 CD2 LEU A 55 15.281 -22.294 -2.125 1.00 0.00 C ATOM 0 H LEU A 55 17.491 -25.194 -0.130 1.00 0.00 H new ATOM 0 HA LEU A 55 17.322 -22.378 -0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.508 -24.540 0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 55 15.028 -22.858 0.584 1.00 0.00 H new ATOM 0 HG LEU A 55 15.623 -24.392 -1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.226 -24.040 -2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.484 -24.976 -0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.045 -23.254 -0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.880 -22.358 -3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 55 14.763 -21.506 -1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 55 16.346 -22.065 -2.171 1.00 0.00 H new ATOM 845 N SER A 56 17.325 -21.253 1.635 1.00 0.00 N ATOM 846 CA SER A 56 17.558 -20.581 2.908 1.00 0.00 C ATOM 847 C SER A 56 16.284 -19.905 3.405 1.00 0.00 C ATOM 848 O SER A 56 15.399 -19.567 2.619 1.00 0.00 O ATOM 849 CB SER A 56 18.676 -19.546 2.765 1.00 0.00 C ATOM 850 OG SER A 56 19.937 -20.113 3.073 1.00 0.00 O ATOM 0 H SER A 56 17.137 -20.624 0.854 1.00 0.00 H new ATOM 0 HA SER A 56 17.859 -21.332 3.638 1.00 0.00 H new ATOM 0 HB2 SER A 56 18.688 -19.157 1.747 1.00 0.00 H new ATOM 0 HB3 SER A 56 18.482 -18.702 3.427 1.00 0.00 H new ATOM 0 HG SER A 56 20.635 -19.432 2.973 1.00 0.00 H new ATOM 856 N ASP A 57 16.199 -19.710 4.717 1.00 0.00 N ATOM 857 CA ASP A 57 15.034 -19.073 5.321 1.00 0.00 C ATOM 858 C ASP A 57 14.767 -17.713 4.684 1.00 0.00 C ATOM 859 O ASP A 57 13.635 -17.226 4.687 1.00 0.00 O ATOM 860 CB ASP A 57 15.239 -18.913 6.828 1.00 0.00 C ATOM 861 CG ASP A 57 16.274 -17.857 7.163 1.00 0.00 C ATOM 862 OD1 ASP A 57 15.914 -16.662 7.195 1.00 0.00 O ATOM 863 OD2 ASP A 57 17.444 -18.227 7.394 1.00 0.00 O ATOM 0 H ASP A 57 16.922 -19.984 5.382 1.00 0.00 H new ATOM 0 HA ASP A 57 14.169 -19.712 5.145 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.290 -18.648 7.295 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.548 -19.868 7.253 1.00 0.00 H new ATOM 868 N LEU A 58 15.814 -17.105 4.140 1.00 0.00 N ATOM 869 CA LEU A 58 15.693 -15.799 3.500 1.00 0.00 C ATOM 870 C LEU A 58 14.905 -15.902 2.198 1.00 0.00 C ATOM 871 O LEU A 58 14.256 -14.945 1.777 1.00 0.00 O ATOM 872 CB LEU A 58 17.080 -15.214 3.225 1.00 0.00 C ATOM 873 CG LEU A 58 17.807 -14.616 4.430 1.00 0.00 C ATOM 874 CD1 LEU A 58 18.410 -15.717 5.289 1.00 0.00 C ATOM 875 CD2 LEU A 58 18.883 -13.642 3.975 1.00 0.00 C ATOM 0 H LEU A 58 16.757 -17.494 4.129 1.00 0.00 H new ATOM 0 HA LEU A 58 15.154 -15.137 4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 58 17.706 -15.999 2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 58 16.981 -14.440 2.464 1.00 0.00 H new ATOM 0 HG LEU A 58 17.082 -14.069 5.033 1.00 0.00 H new ATOM 0 HD11 LEU A 58 18.923 -15.273 6.142 1.00 0.00 H new ATOM 0 HD12 LEU A 58 17.618 -16.376 5.645 1.00 0.00 H new ATOM 0 HD13 LEU A 58 19.121 -16.292 4.697 1.00 0.00 H new ATOM 0 HD21 LEU A 58 19.390 -13.227 4.846 1.00 0.00 H new ATOM 0 HD22 LEU A 58 19.606 -14.165 3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 58 18.425 -12.835 3.403 1.00 0.00 H new ATOM 887 N GLU A 59 14.966 -17.070 1.566 1.00 0.00 N ATOM 888 CA GLU A 59 14.256 -17.298 0.313 1.00 0.00 C ATOM 889 C GLU A 59 13.059 -18.220 0.525 1.00 0.00 C ATOM 890 O GLU A 59 12.165 -18.299 -0.318 1.00 0.00 O ATOM 891 CB GLU A 59 15.199 -17.900 -0.731 1.00 0.00 C ATOM 892 CG GLU A 59 16.401 -17.024 -1.042 1.00 0.00 C ATOM 893 CD GLU A 59 16.949 -17.260 -2.437 1.00 0.00 C ATOM 894 OE1 GLU A 59 17.641 -18.280 -2.637 1.00 0.00 O ATOM 895 OE2 GLU A 59 16.686 -16.425 -3.327 1.00 0.00 O ATOM 0 H GLU A 59 15.499 -17.872 1.901 1.00 0.00 H new ATOM 0 HA GLU A 59 13.892 -16.336 -0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.549 -18.870 -0.376 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.642 -18.079 -1.651 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.119 -15.976 -0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 59 17.185 -17.216 -0.310 1.00 0.00 H new ATOM 902 N ARG A 60 13.050 -18.918 1.657 1.00 0.00 N ATOM 903 CA ARG A 60 11.965 -19.836 1.979 1.00 0.00 C ATOM 904 C ARG A 60 10.657 -19.080 2.189 1.00 0.00 C ATOM 905 O ARG A 60 10.593 -18.135 2.976 1.00 0.00 O ATOM 906 CB ARG A 60 12.307 -20.643 3.234 1.00 0.00 C ATOM 907 CG ARG A 60 11.397 -21.840 3.455 1.00 0.00 C ATOM 908 CD ARG A 60 12.090 -22.924 4.266 1.00 0.00 C ATOM 909 NE ARG A 60 11.139 -23.876 4.832 1.00 0.00 N ATOM 910 CZ ARG A 60 11.490 -25.053 5.338 1.00 0.00 C ATOM 911 NH1 ARG A 60 12.764 -25.420 5.349 1.00 0.00 N ATOM 912 NH2 ARG A 60 10.566 -25.866 5.834 1.00 0.00 N ATOM 0 H ARG A 60 13.782 -18.865 2.365 1.00 0.00 H new ATOM 0 HA ARG A 60 11.839 -20.519 1.139 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.338 -20.989 3.163 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.250 -19.988 4.104 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.492 -21.520 3.971 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.088 -22.246 2.492 1.00 0.00 H new ATOM 0 HD2 ARG A 60 12.799 -23.454 3.631 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.664 -22.464 5.070 1.00 0.00 H new ATOM 0 HE ARG A 60 10.151 -23.624 4.839 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.477 -24.798 4.968 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.031 -26.324 5.738 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.585 -25.587 5.827 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.837 -26.769 6.222 1.00 0.00 H new ATOM 926 N VAL A 61 9.615 -19.501 1.479 1.00 0.00 N ATOM 927 CA VAL A 61 8.308 -18.865 1.588 1.00 0.00 C ATOM 928 C VAL A 61 7.345 -19.720 2.403 1.00 0.00 C ATOM 929 O VAL A 61 6.845 -20.739 1.926 1.00 0.00 O ATOM 930 CB VAL A 61 7.694 -18.603 0.199 1.00 0.00 C ATOM 931 CG1 VAL A 61 6.356 -17.893 0.332 1.00 0.00 C ATOM 932 CG2 VAL A 61 8.652 -17.795 -0.663 1.00 0.00 C ATOM 0 H VAL A 61 9.651 -20.280 0.822 1.00 0.00 H new ATOM 0 HA VAL A 61 8.462 -17.913 2.096 1.00 0.00 H new ATOM 0 HB VAL A 61 7.522 -19.562 -0.290 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.938 -17.716 -0.659 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.671 -18.513 0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.499 -16.940 0.841 1.00 0.00 H new ATOM 0 HG21 VAL A 61 8.202 -17.619 -1.640 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.857 -16.839 -0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 61 9.584 -18.347 -0.786 1.00 0.00 H new ATOM 942 N THR A 62 7.090 -19.300 3.639 1.00 0.00 N ATOM 943 CA THR A 62 6.188 -20.028 4.522 1.00 0.00 C ATOM 944 C THR A 62 4.750 -19.547 4.358 1.00 0.00 C ATOM 945 O THR A 62 4.491 -18.561 3.668 1.00 0.00 O ATOM 946 CB THR A 62 6.602 -19.875 5.998 1.00 0.00 C ATOM 947 OG1 THR A 62 6.552 -18.496 6.380 1.00 0.00 O ATOM 948 CG2 THR A 62 8.005 -20.419 6.225 1.00 0.00 C ATOM 0 H THR A 62 7.496 -18.459 4.050 1.00 0.00 H new ATOM 0 HA THR A 62 6.251 -21.079 4.241 1.00 0.00 H new ATOM 0 HB THR A 62 5.904 -20.447 6.610 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.815 -18.407 7.320 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.276 -20.300 7.274 1.00 0.00 H new ATOM 0 HG22 THR A 62 8.033 -21.476 5.960 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.713 -19.871 5.603 1.00 0.00 H new ATOM 956 N SER A 63 3.820 -20.250 4.995 1.00 0.00 N ATOM 957 CA SER A 63 2.407 -19.896 4.917 1.00 0.00 C ATOM 958 C SER A 63 2.166 -18.496 5.473 1.00 0.00 C ATOM 959 O SER A 63 1.315 -17.756 4.976 1.00 0.00 O ATOM 960 CB SER A 63 1.561 -20.915 5.684 1.00 0.00 C ATOM 961 OG SER A 63 1.654 -20.704 7.082 1.00 0.00 O ATOM 0 H SER A 63 4.019 -21.068 5.571 1.00 0.00 H new ATOM 0 HA SER A 63 2.113 -19.907 3.868 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.520 -20.839 5.370 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.894 -21.924 5.442 1.00 0.00 H new ATOM 0 HG SER A 63 1.104 -21.366 7.550 1.00 0.00 H new ATOM 967 N LEU A 64 2.921 -18.139 6.506 1.00 0.00 N ATOM 968 CA LEU A 64 2.790 -16.827 7.131 1.00 0.00 C ATOM 969 C LEU A 64 3.284 -15.727 6.196 1.00 0.00 C ATOM 970 O LEU A 64 2.667 -14.667 6.086 1.00 0.00 O ATOM 971 CB LEU A 64 3.574 -16.786 8.444 1.00 0.00 C ATOM 972 CG LEU A 64 3.786 -15.401 9.056 1.00 0.00 C ATOM 973 CD1 LEU A 64 2.454 -14.782 9.451 1.00 0.00 C ATOM 974 CD2 LEU A 64 4.715 -15.485 10.258 1.00 0.00 C ATOM 0 H LEU A 64 3.630 -18.739 6.928 1.00 0.00 H new ATOM 0 HA LEU A 64 1.734 -16.654 7.339 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.055 -17.408 9.173 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.550 -17.240 8.275 1.00 0.00 H new ATOM 0 HG LEU A 64 4.252 -14.761 8.306 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.625 -13.797 9.885 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.822 -14.685 8.568 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.959 -15.420 10.183 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.854 -14.490 10.680 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.278 -16.141 11.011 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.680 -15.885 9.945 1.00 0.00 H new ATOM 986 N LYS A 65 4.399 -15.987 5.522 1.00 0.00 N ATOM 987 CA LYS A 65 4.974 -15.021 4.593 1.00 0.00 C ATOM 988 C LYS A 65 3.980 -14.666 3.492 1.00 0.00 C ATOM 989 O LYS A 65 3.901 -13.516 3.060 1.00 0.00 O ATOM 990 CB LYS A 65 6.258 -15.580 3.975 1.00 0.00 C ATOM 991 CG LYS A 65 7.489 -15.377 4.842 1.00 0.00 C ATOM 992 CD LYS A 65 8.750 -15.847 4.138 1.00 0.00 C ATOM 993 CE LYS A 65 9.961 -15.773 5.055 1.00 0.00 C ATOM 994 NZ LYS A 65 10.165 -14.400 5.595 1.00 0.00 N ATOM 0 H LYS A 65 4.923 -16.859 5.602 1.00 0.00 H new ATOM 0 HA LYS A 65 5.210 -14.114 5.150 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.127 -16.646 3.788 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.423 -15.105 3.008 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.585 -14.322 5.097 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.369 -15.922 5.779 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.615 -16.872 3.794 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.924 -15.234 3.254 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.834 -16.473 5.881 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.851 -16.084 4.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.087 -14.349 6.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.142 -13.713 4.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.409 -14.178 6.274 1.00 0.00 H new ATOM 1008 N VAL A 66 3.222 -15.661 3.043 1.00 0.00 N ATOM 1009 CA VAL A 66 2.231 -15.453 1.994 1.00 0.00 C ATOM 1010 C VAL A 66 1.118 -14.523 2.466 1.00 0.00 C ATOM 1011 O VAL A 66 0.666 -13.652 1.723 1.00 0.00 O ATOM 1012 CB VAL A 66 1.611 -16.786 1.535 1.00 0.00 C ATOM 1013 CG1 VAL A 66 0.385 -16.535 0.669 1.00 0.00 C ATOM 1014 CG2 VAL A 66 2.639 -17.622 0.788 1.00 0.00 C ATOM 0 H VAL A 66 3.275 -16.619 3.389 1.00 0.00 H new ATOM 0 HA VAL A 66 2.752 -14.995 1.153 1.00 0.00 H new ATOM 0 HB VAL A 66 1.295 -17.343 2.417 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.039 -17.488 0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.357 -15.979 1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.672 -15.958 -0.210 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.184 -18.560 0.471 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.987 -17.074 -0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.484 -17.832 1.444 1.00 0.00 H new ATOM 1024 N TYR A 67 0.681 -14.715 3.705 1.00 0.00 N ATOM 1025 CA TYR A 67 -0.381 -13.895 4.276 1.00 0.00 C ATOM 1026 C TYR A 67 0.063 -12.441 4.406 1.00 0.00 C ATOM 1027 O TYR A 67 -0.731 -11.520 4.225 1.00 0.00 O ATOM 1028 CB TYR A 67 -0.793 -14.438 5.646 1.00 0.00 C ATOM 1029 CG TYR A 67 -2.005 -13.749 6.231 1.00 0.00 C ATOM 1030 CD1 TYR A 67 -3.204 -13.696 5.531 1.00 0.00 C ATOM 1031 CD2 TYR A 67 -1.951 -13.153 7.485 1.00 0.00 C ATOM 1032 CE1 TYR A 67 -4.313 -13.067 6.062 1.00 0.00 C ATOM 1033 CE2 TYR A 67 -3.056 -12.523 8.024 1.00 0.00 C ATOM 1034 CZ TYR A 67 -4.235 -12.482 7.308 1.00 0.00 C ATOM 1035 OH TYR A 67 -5.338 -11.856 7.841 1.00 0.00 O ATOM 0 H TYR A 67 1.045 -15.431 4.333 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.238 -13.936 3.603 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.999 -15.505 5.558 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.044 -14.331 6.336 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.270 -14.154 4.555 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.030 -13.183 8.048 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.237 -13.034 5.504 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.997 -12.065 9.000 1.00 0.00 H new ATOM 0 HH TYR A 67 -5.115 -11.498 8.725 1.00 0.00 H new ATOM 1045 N ASN A 68 1.340 -12.245 4.720 1.00 0.00 N ATOM 1046 CA ASN A 68 1.891 -10.904 4.874 1.00 0.00 C ATOM 1047 C ASN A 68 1.836 -10.138 3.555 1.00 0.00 C ATOM 1048 O ASN A 68 1.468 -8.964 3.523 1.00 0.00 O ATOM 1049 CB ASN A 68 3.336 -10.979 5.373 1.00 0.00 C ATOM 1050 CG ASN A 68 3.422 -11.063 6.884 1.00 0.00 C ATOM 1051 OD1 ASN A 68 2.642 -10.432 7.598 1.00 0.00 O ATOM 1052 ND2 ASN A 68 4.373 -11.846 7.380 1.00 0.00 N ATOM 0 H ASN A 68 2.012 -12.997 4.873 1.00 0.00 H new ATOM 0 HA ASN A 68 1.286 -10.372 5.608 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.824 -11.850 4.935 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.882 -10.101 5.029 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.479 -11.943 8.390 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.998 -12.351 6.751 1.00 0.00 H new ATOM 1059 N TRP A 69 2.203 -10.811 2.471 1.00 0.00 N ATOM 1060 CA TRP A 69 2.194 -10.194 1.149 1.00 0.00 C ATOM 1061 C TRP A 69 0.767 -9.941 0.677 1.00 0.00 C ATOM 1062 O TRP A 69 0.474 -8.900 0.088 1.00 0.00 O ATOM 1063 CB TRP A 69 2.927 -11.084 0.144 1.00 0.00 C ATOM 1064 CG TRP A 69 2.983 -10.500 -1.235 1.00 0.00 C ATOM 1065 CD1 TRP A 69 4.035 -9.841 -1.804 1.00 0.00 C ATOM 1066 CD2 TRP A 69 1.942 -10.522 -2.218 1.00 0.00 C ATOM 1067 NE1 TRP A 69 3.711 -9.451 -3.081 1.00 0.00 N ATOM 1068 CE2 TRP A 69 2.433 -9.858 -3.359 1.00 0.00 C ATOM 1069 CE3 TRP A 69 0.645 -11.039 -2.246 1.00 0.00 C ATOM 1070 CZ2 TRP A 69 1.670 -9.698 -4.513 1.00 0.00 C ATOM 1071 CZ3 TRP A 69 -0.112 -10.879 -3.392 1.00 0.00 C ATOM 1072 CH2 TRP A 69 0.403 -10.214 -4.512 1.00 0.00 C ATOM 0 H TRP A 69 2.510 -11.784 2.481 1.00 0.00 H new ATOM 0 HA TRP A 69 2.709 -9.236 1.218 1.00 0.00 H new ATOM 0 HB2 TRP A 69 3.943 -11.260 0.498 1.00 0.00 H new ATOM 0 HB3 TRP A 69 2.432 -12.054 0.100 1.00 0.00 H new ATOM 0 HD1 TRP A 69 4.983 -9.654 -1.321 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.323 -8.941 -3.718 1.00 0.00 H new ATOM 0 HE3 TRP A 69 0.240 -11.555 -1.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.064 -9.185 -5.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -1.117 -11.273 -3.424 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -0.213 -10.106 -5.393 1.00 0.00 H new ATOM 1083 N PHE A 70 -0.117 -10.898 0.937 1.00 0.00 N ATOM 1084 CA PHE A 70 -1.514 -10.777 0.537 1.00 0.00 C ATOM 1085 C PHE A 70 -2.207 -9.658 1.310 1.00 0.00 C ATOM 1086 O PHE A 70 -2.871 -8.804 0.724 1.00 0.00 O ATOM 1087 CB PHE A 70 -2.248 -12.100 0.766 1.00 0.00 C ATOM 1088 CG PHE A 70 -2.196 -13.027 -0.415 1.00 0.00 C ATOM 1089 CD1 PHE A 70 -0.990 -13.556 -0.844 1.00 0.00 C ATOM 1090 CD2 PHE A 70 -3.353 -13.368 -1.096 1.00 0.00 C ATOM 1091 CE1 PHE A 70 -0.938 -14.410 -1.930 1.00 0.00 C ATOM 1092 CE2 PHE A 70 -3.308 -14.221 -2.182 1.00 0.00 C ATOM 1093 CZ PHE A 70 -2.099 -14.742 -2.600 1.00 0.00 C ATOM 0 H PHE A 70 0.109 -11.766 1.423 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.542 -10.532 -0.525 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.814 -12.602 1.631 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.290 -11.891 1.008 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.079 -13.298 -0.324 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.301 -12.963 -0.774 1.00 0.00 H new ATOM 0 HE1 PHE A 70 0.009 -14.817 -2.254 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.217 -14.480 -2.704 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.062 -15.408 -3.449 1.00 0.00 H new ATOM 1103 N ALA A 71 -2.046 -9.671 2.629 1.00 0.00 N ATOM 1104 CA ALA A 71 -2.654 -8.657 3.482 1.00 0.00 C ATOM 1105 C ALA A 71 -2.119 -7.268 3.151 1.00 0.00 C ATOM 1106 O ALA A 71 -2.814 -6.268 3.322 1.00 0.00 O ATOM 1107 CB ALA A 71 -2.407 -8.984 4.948 1.00 0.00 C ATOM 0 H ALA A 71 -1.500 -10.372 3.130 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.728 -8.658 3.296 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.866 -8.219 5.574 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.843 -9.955 5.183 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.334 -9.013 5.139 1.00 0.00 H new ATOM 1113 N ASN A 72 -0.879 -7.214 2.676 1.00 0.00 N ATOM 1114 CA ASN A 72 -0.250 -5.947 2.322 1.00 0.00 C ATOM 1115 C ASN A 72 -0.805 -5.414 1.004 1.00 0.00 C ATOM 1116 O ASN A 72 -0.941 -4.204 0.820 1.00 0.00 O ATOM 1117 CB ASN A 72 1.267 -6.117 2.218 1.00 0.00 C ATOM 1118 CG ASN A 72 1.976 -5.792 3.518 1.00 0.00 C ATOM 1119 OD1 ASN A 72 1.796 -6.478 4.524 1.00 0.00 O ATOM 1120 ND2 ASN A 72 2.786 -4.740 3.503 1.00 0.00 N ATOM 0 H ASN A 72 -0.290 -8.033 2.527 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.474 -5.227 3.109 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.496 -7.143 1.929 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.649 -5.471 1.428 1.00 0.00 H new ATOM 0 HD21 ASN A 72 3.289 -4.472 4.349 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.905 -4.200 2.646 1.00 0.00 H new ATOM 1127 N ARG A 73 -1.124 -6.325 0.091 1.00 0.00 N ATOM 1128 CA ARG A 73 -1.663 -5.948 -1.210 1.00 0.00 C ATOM 1129 C ARG A 73 -3.119 -5.507 -1.088 1.00 0.00 C ATOM 1130 O ARG A 73 -3.559 -4.587 -1.776 1.00 0.00 O ATOM 1131 CB ARG A 73 -1.553 -7.117 -2.190 1.00 0.00 C ATOM 1132 CG ARG A 73 -2.366 -6.925 -3.460 1.00 0.00 C ATOM 1133 CD ARG A 73 -1.773 -5.838 -4.343 1.00 0.00 C ATOM 1134 NE ARG A 73 -2.706 -5.406 -5.380 1.00 0.00 N ATOM 1135 CZ ARG A 73 -2.330 -4.802 -6.502 1.00 0.00 C ATOM 1136 NH1 ARG A 73 -1.046 -4.561 -6.730 1.00 0.00 N ATOM 1137 NH2 ARG A 73 -3.238 -4.439 -7.398 1.00 0.00 N ATOM 0 H ARG A 73 -1.018 -7.330 0.228 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.078 -5.110 -1.589 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -0.506 -7.259 -2.457 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.882 -8.029 -1.693 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.405 -7.863 -4.013 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.392 -6.665 -3.200 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.494 -4.983 -3.727 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.859 -6.207 -4.808 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.701 -5.577 -5.235 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.345 -4.839 -6.043 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.759 -4.097 -7.592 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.226 -4.623 -7.226 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.948 -3.975 -8.259 1.00 0.00 H new ATOM 1151 N ARG A 74 -3.861 -6.172 -0.208 1.00 0.00 N ATOM 1152 CA ARG A 74 -5.267 -5.850 0.003 1.00 0.00 C ATOM 1153 C ARG A 74 -5.422 -4.456 0.602 1.00 0.00 C ATOM 1154 O ARG A 74 -6.298 -3.689 0.201 1.00 0.00 O ATOM 1155 CB ARG A 74 -5.917 -6.887 0.922 1.00 0.00 C ATOM 1156 CG ARG A 74 -6.007 -8.274 0.307 1.00 0.00 C ATOM 1157 CD ARG A 74 -7.105 -9.101 0.958 1.00 0.00 C ATOM 1158 NE ARG A 74 -6.813 -9.395 2.358 1.00 0.00 N ATOM 1159 CZ ARG A 74 -6.045 -10.405 2.752 1.00 0.00 C ATOM 1160 NH1 ARG A 74 -5.495 -11.213 1.856 1.00 0.00 N ATOM 1161 NH2 ARG A 74 -5.825 -10.608 4.045 1.00 0.00 N ATOM 0 H ARG A 74 -3.512 -6.937 0.370 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.767 -5.868 -0.965 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.347 -6.946 1.849 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.920 -6.550 1.185 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.200 -8.187 -0.762 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.051 -8.785 0.418 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.051 -8.564 0.890 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.228 -10.035 0.410 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.221 -8.792 3.073 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.661 -11.060 0.861 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.906 -11.988 2.161 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.246 -9.988 4.737 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.235 -11.384 4.346 1.00 0.00 H new ATOM 1175 N LYS A 75 -4.566 -4.133 1.565 1.00 0.00 N ATOM 1176 CA LYS A 75 -4.606 -2.830 2.220 1.00 0.00 C ATOM 1177 C LYS A 75 -4.122 -1.733 1.278 1.00 0.00 C ATOM 1178 O LYS A 75 -4.593 -0.598 1.341 1.00 0.00 O ATOM 1179 CB LYS A 75 -3.745 -2.846 3.486 1.00 0.00 C ATOM 1180 CG LYS A 75 -2.253 -2.889 3.206 1.00 0.00 C ATOM 1181 CD LYS A 75 -1.442 -2.810 4.489 1.00 0.00 C ATOM 1182 CE LYS A 75 -1.734 -3.989 5.405 1.00 0.00 C ATOM 1183 NZ LYS A 75 -0.605 -4.258 6.338 1.00 0.00 N ATOM 0 H LYS A 75 -3.835 -4.756 1.910 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.640 -2.620 2.493 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.969 -1.960 4.079 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.018 -3.711 4.090 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.008 -3.809 2.676 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.981 -2.061 2.551 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.379 -2.789 4.248 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.670 -1.879 5.008 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.639 -3.788 5.978 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.928 -4.877 4.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.842 -5.068 6.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.253 -4.474 5.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.436 -3.420 6.930 1.00 0.00 H new