USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 395 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 LYS NZ :NH3+ 174:sc= -0.0215 (180deg=0) USER MOD Set 1.2: A 50 GLN : amide:sc= -0.42 X(o=-0.44,f=-0.012) USER MOD Single : A 9 SER OG : rot 180:sc= 0.325 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.411 K(o=-0.41,f=-2.6!) USER MOD Single : A 17 LYS NZ :NH3+ -172:sc= -0.363 (180deg=-0.424) USER MOD Single : A 21 ASN : amide:sc= -0.207 K(o=-0.21,f=-1.2) USER MOD Single : A 23 ASN : amide:sc= -0.0432 K(o=-0.043,f=1.1) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 96:sc= 0.298 USER MOD Single : A 32 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.057) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot -42:sc= 0.454 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.0949 K(o=-0.095,f=-2.2!) USER MOD Single : A 44 GLN : amide:sc= -2.78 K(o=-2.8,f=-0.91) USER MOD Single : A 51 ASN : amide:sc= -3.62! C(o=-3.6!,f=-7!) USER MOD Single : A 52 LYS NZ :NH3+ 158:sc= 0.0781 (180deg=0.0011) USER MOD ----------------------------------------------------------------- ATOM 175 N SER A 9 -8.322 -6.949 3.556 1.00 0.00 N ATOM 176 CA SER A 9 -9.204 -7.951 2.970 1.00 0.00 C ATOM 177 C SER A 9 -8.841 -8.199 1.511 1.00 0.00 C ATOM 178 O SER A 9 -8.183 -7.374 0.879 1.00 0.00 O ATOM 179 CB SER A 9 -10.662 -7.498 3.071 1.00 0.00 C ATOM 180 OG SER A 9 -10.993 -6.607 2.019 1.00 0.00 O ATOM 0 HA SER A 9 -9.080 -8.881 3.525 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.319 -8.367 3.036 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.829 -7.010 4.031 1.00 0.00 H new ATOM 0 HG SER A 9 -11.930 -6.333 2.105 1.00 0.00 H new ATOM 186 N SER A 10 -9.274 -9.337 0.978 1.00 0.00 N ATOM 187 CA SER A 10 -8.993 -9.684 -0.412 1.00 0.00 C ATOM 188 C SER A 10 -9.431 -8.564 -1.352 1.00 0.00 C ATOM 189 O SER A 10 -8.721 -8.221 -2.298 1.00 0.00 O ATOM 190 CB SER A 10 -9.701 -10.987 -0.787 1.00 0.00 C ATOM 191 OG SER A 10 -9.044 -12.106 -0.220 1.00 0.00 O ATOM 0 H SER A 10 -9.820 -10.034 1.485 1.00 0.00 H new ATOM 0 HA SER A 10 -7.917 -9.821 -0.516 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.735 -10.955 -0.442 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.730 -11.090 -1.872 1.00 0.00 H new ATOM 0 HG SER A 10 -9.517 -12.926 -0.473 1.00 0.00 H new ATOM 197 N GLU A 11 -10.604 -7.999 -1.085 1.00 0.00 N ATOM 198 CA GLU A 11 -11.141 -6.918 -1.904 1.00 0.00 C ATOM 199 C GLU A 11 -10.297 -5.654 -1.762 1.00 0.00 C ATOM 200 O GLU A 11 -10.038 -4.955 -2.744 1.00 0.00 O ATOM 201 CB GLU A 11 -12.589 -6.623 -1.509 1.00 0.00 C ATOM 202 CG GLU A 11 -13.592 -7.595 -2.107 1.00 0.00 C ATOM 203 CD GLU A 11 -14.653 -8.024 -1.112 1.00 0.00 C ATOM 204 OE1 GLU A 11 -14.340 -8.096 0.095 1.00 0.00 O ATOM 205 OE2 GLU A 11 -15.796 -8.286 -1.541 1.00 0.00 O ATOM 0 H GLU A 11 -11.202 -8.273 -0.306 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.112 -7.237 -2.946 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.673 -6.649 -0.423 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.844 -5.611 -1.824 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.073 -7.131 -2.968 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.065 -8.476 -2.473 1.00 0.00 H new ATOM 212 N GLN A 12 -9.869 -5.367 -0.537 1.00 0.00 N ATOM 213 CA GLN A 12 -9.057 -4.185 -0.274 1.00 0.00 C ATOM 214 C GLN A 12 -7.692 -4.314 -0.938 1.00 0.00 C ATOM 215 O GLN A 12 -7.216 -3.383 -1.586 1.00 0.00 O ATOM 216 CB GLN A 12 -8.890 -3.976 1.232 1.00 0.00 C ATOM 217 CG GLN A 12 -10.166 -3.534 1.929 1.00 0.00 C ATOM 218 CD GLN A 12 -10.141 -3.805 3.420 1.00 0.00 C ATOM 219 OE1 GLN A 12 -9.168 -4.343 3.949 1.00 0.00 O ATOM 220 NE2 GLN A 12 -11.215 -3.434 4.108 1.00 0.00 N ATOM 0 H GLN A 12 -10.070 -5.935 0.286 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.569 -3.319 -0.694 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.542 -4.905 1.683 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.115 -3.229 1.403 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.317 -2.468 1.760 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.016 -4.051 1.484 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.999 -2.991 3.629 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.255 -3.592 5.115 1.00 0.00 H new ATOM 229 N LEU A 13 -7.070 -5.479 -0.785 1.00 0.00 N ATOM 230 CA LEU A 13 -5.766 -5.724 -1.386 1.00 0.00 C ATOM 231 C LEU A 13 -5.880 -5.739 -2.903 1.00 0.00 C ATOM 232 O LEU A 13 -4.980 -5.286 -3.609 1.00 0.00 O ATOM 233 CB LEU A 13 -5.182 -7.053 -0.895 1.00 0.00 C ATOM 234 CG LEU A 13 -4.571 -7.040 0.514 1.00 0.00 C ATOM 235 CD1 LEU A 13 -3.539 -8.148 0.646 1.00 0.00 C ATOM 236 CD2 LEU A 13 -3.937 -5.691 0.830 1.00 0.00 C ATOM 0 H LEU A 13 -7.446 -6.264 -0.253 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.096 -4.918 -1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.970 -7.805 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.414 -7.372 -1.600 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.374 -7.210 1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.112 -8.130 1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.016 -9.112 0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.748 -7.997 -0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.514 -5.714 1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.148 -5.482 0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.696 -4.910 0.774 1.00 0.00 H new ATOM 248 N ALA A 14 -6.999 -6.256 -3.399 1.00 0.00 N ATOM 249 CA ALA A 14 -7.238 -6.319 -4.833 1.00 0.00 C ATOM 250 C ALA A 14 -7.255 -4.918 -5.430 1.00 0.00 C ATOM 251 O ALA A 14 -6.643 -4.665 -6.469 1.00 0.00 O ATOM 252 CB ALA A 14 -8.547 -7.037 -5.122 1.00 0.00 C ATOM 0 H ALA A 14 -7.753 -6.637 -2.828 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.427 -6.882 -5.295 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.711 -7.076 -6.199 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.501 -8.051 -4.725 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.369 -6.500 -4.649 1.00 0.00 H new ATOM 258 N ARG A 15 -7.952 -4.006 -4.760 1.00 0.00 N ATOM 259 CA ARG A 15 -8.039 -2.626 -5.217 1.00 0.00 C ATOM 260 C ARG A 15 -6.664 -1.967 -5.184 1.00 0.00 C ATOM 261 O ARG A 15 -6.229 -1.362 -6.165 1.00 0.00 O ATOM 262 CB ARG A 15 -9.023 -1.838 -4.348 1.00 0.00 C ATOM 263 CG ARG A 15 -10.131 -1.169 -5.143 1.00 0.00 C ATOM 264 CD ARG A 15 -11.472 -1.259 -4.429 1.00 0.00 C ATOM 265 NE ARG A 15 -12.506 -1.843 -5.281 1.00 0.00 N ATOM 266 CZ ARG A 15 -13.779 -1.451 -5.286 1.00 0.00 C ATOM 267 NH1 ARG A 15 -14.195 -0.486 -4.475 1.00 0.00 N ATOM 268 NH2 ARG A 15 -14.643 -2.034 -6.106 1.00 0.00 N ATOM 0 H ARG A 15 -8.464 -4.199 -3.899 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.402 -2.625 -6.245 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.468 -2.511 -3.615 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.476 -1.077 -3.791 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.878 -0.122 -5.310 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.209 -1.638 -6.124 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.363 -1.861 -3.527 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.782 -0.263 -4.113 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.236 -2.598 -5.911 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.537 -0.036 -3.839 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -15.172 -0.195 -4.488 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.332 -2.779 -6.729 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.619 -1.737 -6.113 1.00 0.00 H new ATOM 282 N LEU A 16 -5.978 -2.099 -4.052 1.00 0.00 N ATOM 283 CA LEU A 16 -4.647 -1.526 -3.896 1.00 0.00 C ATOM 284 C LEU A 16 -3.684 -2.134 -4.910 1.00 0.00 C ATOM 285 O LEU A 16 -2.801 -1.452 -5.432 1.00 0.00 O ATOM 286 CB LEU A 16 -4.125 -1.760 -2.476 1.00 0.00 C ATOM 287 CG LEU A 16 -5.071 -1.325 -1.355 1.00 0.00 C ATOM 288 CD1 LEU A 16 -4.995 -2.293 -0.182 1.00 0.00 C ATOM 289 CD2 LEU A 16 -4.742 0.090 -0.903 1.00 0.00 C ATOM 0 H LEU A 16 -6.322 -2.597 -3.231 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.714 -0.453 -4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.909 -2.822 -2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.181 -1.227 -2.361 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.090 -1.337 -1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.675 -1.966 0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.279 -3.291 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.976 -2.316 0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.424 0.385 -0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.716 0.125 -0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.850 0.775 -1.744 1.00 0.00 H new ATOM 301 N LYS A 17 -3.867 -3.421 -5.187 1.00 0.00 N ATOM 302 CA LYS A 17 -3.023 -4.127 -6.141 1.00 0.00 C ATOM 303 C LYS A 17 -3.156 -3.509 -7.530 1.00 0.00 C ATOM 304 O LYS A 17 -2.161 -3.262 -8.210 1.00 0.00 O ATOM 305 CB LYS A 17 -3.398 -5.610 -6.188 1.00 0.00 C ATOM 306 CG LYS A 17 -2.403 -6.511 -5.475 1.00 0.00 C ATOM 307 CD LYS A 17 -2.382 -7.906 -6.080 1.00 0.00 C ATOM 308 CE LYS A 17 -1.869 -8.937 -5.087 1.00 0.00 C ATOM 309 NZ LYS A 17 -0.554 -8.546 -4.509 1.00 0.00 N ATOM 0 H LYS A 17 -4.594 -3.996 -4.763 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.986 -4.037 -5.816 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.382 -5.742 -5.738 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.478 -5.923 -7.229 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.407 -6.073 -5.534 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.661 -6.575 -4.418 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.387 -8.179 -6.403 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.750 -7.909 -6.968 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.596 -9.061 -4.284 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.775 -9.903 -5.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.176 -9.333 -3.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.110 -8.321 -5.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.676 -7.711 -3.902 1.00 0.00 H new ATOM 323 N ARG A 18 -4.396 -3.257 -7.938 1.00 0.00 N ATOM 324 CA ARG A 18 -4.663 -2.661 -9.241 1.00 0.00 C ATOM 325 C ARG A 18 -4.025 -1.280 -9.337 1.00 0.00 C ATOM 326 O ARG A 18 -3.391 -0.945 -10.339 1.00 0.00 O ATOM 327 CB ARG A 18 -6.171 -2.559 -9.481 1.00 0.00 C ATOM 328 CG ARG A 18 -6.881 -3.903 -9.470 1.00 0.00 C ATOM 329 CD ARG A 18 -8.367 -3.745 -9.194 1.00 0.00 C ATOM 330 NE ARG A 18 -9.031 -5.034 -9.019 1.00 0.00 N ATOM 331 CZ ARG A 18 -9.338 -5.853 -10.023 1.00 0.00 C ATOM 332 NH1 ARG A 18 -9.043 -5.521 -11.273 1.00 0.00 N ATOM 333 NH2 ARG A 18 -9.942 -7.007 -9.776 1.00 0.00 N ATOM 0 H ARG A 18 -5.230 -3.456 -7.386 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.227 -3.302 -10.007 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.610 -1.919 -8.715 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.346 -2.073 -10.441 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.739 -4.399 -10.430 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.435 -4.545 -8.711 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.507 -3.140 -8.298 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.834 -3.206 -10.018 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.274 -5.324 -8.072 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.579 -4.634 -11.469 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.281 -6.152 -12.038 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.172 -7.267 -8.817 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.177 -7.634 -10.545 1.00 0.00 H new ATOM 347 N GLU A 19 -4.193 -0.484 -8.286 1.00 0.00 N ATOM 348 CA GLU A 19 -3.628 0.859 -8.249 1.00 0.00 C ATOM 349 C GLU A 19 -2.105 0.803 -8.296 1.00 0.00 C ATOM 350 O GLU A 19 -1.462 1.607 -8.973 1.00 0.00 O ATOM 351 CB GLU A 19 -4.087 1.594 -6.987 1.00 0.00 C ATOM 352 CG GLU A 19 -5.344 2.425 -7.192 1.00 0.00 C ATOM 353 CD GLU A 19 -5.054 3.908 -7.329 1.00 0.00 C ATOM 354 OE1 GLU A 19 -3.862 4.279 -7.378 1.00 0.00 O ATOM 355 OE2 GLU A 19 -6.019 4.698 -7.389 1.00 0.00 O ATOM 0 H GLU A 19 -4.715 -0.746 -7.450 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.983 1.404 -9.124 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.268 0.865 -6.197 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.283 2.245 -6.642 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.862 2.077 -8.086 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.019 2.268 -6.351 1.00 0.00 H new ATOM 362 N PHE A 20 -1.533 -0.156 -7.574 1.00 0.00 N ATOM 363 CA PHE A 20 -0.085 -0.321 -7.536 1.00 0.00 C ATOM 364 C PHE A 20 0.456 -0.650 -8.922 1.00 0.00 C ATOM 365 O PHE A 20 1.529 -0.185 -9.308 1.00 0.00 O ATOM 366 CB PHE A 20 0.300 -1.426 -6.551 1.00 0.00 C ATOM 367 CG PHE A 20 1.784 -1.591 -6.389 1.00 0.00 C ATOM 368 CD1 PHE A 20 2.534 -2.218 -7.371 1.00 0.00 C ATOM 369 CD2 PHE A 20 2.427 -1.119 -5.257 1.00 0.00 C ATOM 370 CE1 PHE A 20 3.900 -2.372 -7.225 1.00 0.00 C ATOM 371 CE2 PHE A 20 3.793 -1.270 -5.105 1.00 0.00 C ATOM 372 CZ PHE A 20 4.530 -1.897 -6.091 1.00 0.00 C ATOM 0 H PHE A 20 -2.050 -0.829 -7.008 1.00 0.00 H new ATOM 0 HA PHE A 20 0.355 0.619 -7.204 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.142 -1.206 -5.579 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.128 -2.370 -6.890 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.046 -2.590 -8.260 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.855 -0.627 -4.484 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.474 -2.863 -7.997 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.283 -0.898 -4.217 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.597 -2.016 -5.975 1.00 0.00 H new ATOM 382 N ASN A 21 -0.296 -1.451 -9.671 1.00 0.00 N ATOM 383 CA ASN A 21 0.108 -1.836 -11.017 1.00 0.00 C ATOM 384 C ASN A 21 0.200 -0.611 -11.920 1.00 0.00 C ATOM 385 O ASN A 21 0.969 -0.590 -12.881 1.00 0.00 O ATOM 386 CB ASN A 21 -0.882 -2.849 -11.600 1.00 0.00 C ATOM 387 CG ASN A 21 -0.205 -4.132 -12.040 1.00 0.00 C ATOM 388 OD1 ASN A 21 0.980 -4.141 -12.373 1.00 0.00 O ATOM 389 ND2 ASN A 21 -0.957 -5.227 -12.043 1.00 0.00 N ATOM 0 H ASN A 21 -1.187 -1.845 -9.368 1.00 0.00 H new ATOM 0 HA ASN A 21 1.093 -2.300 -10.961 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.642 -3.080 -10.854 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.396 -2.402 -12.451 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.556 -6.120 -12.329 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.935 -5.175 -11.759 1.00 0.00 H new ATOM 396 N GLU A 22 -0.586 0.414 -11.599 1.00 0.00 N ATOM 397 CA GLU A 22 -0.589 1.649 -12.374 1.00 0.00 C ATOM 398 C GLU A 22 0.553 2.556 -11.933 1.00 0.00 C ATOM 399 O GLU A 22 1.159 3.254 -12.745 1.00 0.00 O ATOM 400 CB GLU A 22 -1.924 2.376 -12.211 1.00 0.00 C ATOM 401 CG GLU A 22 -3.043 1.794 -13.059 1.00 0.00 C ATOM 402 CD GLU A 22 -4.281 2.668 -13.069 1.00 0.00 C ATOM 403 OE1 GLU A 22 -4.885 2.856 -11.991 1.00 0.00 O ATOM 404 OE2 GLU A 22 -4.649 3.166 -14.154 1.00 0.00 O ATOM 0 H GLU A 22 -1.229 0.412 -10.807 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.451 1.395 -13.425 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.220 2.343 -11.162 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.790 3.426 -12.472 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.688 1.661 -14.081 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.304 0.805 -12.681 1.00 0.00 H new ATOM 411 N ASN A 23 0.842 2.538 -10.634 1.00 0.00 N ATOM 412 CA ASN A 23 1.913 3.355 -10.076 1.00 0.00 C ATOM 413 C ASN A 23 2.416 2.763 -8.761 1.00 0.00 C ATOM 414 O ASN A 23 1.643 2.560 -7.824 1.00 0.00 O ATOM 415 CB ASN A 23 1.427 4.790 -9.858 1.00 0.00 C ATOM 416 CG ASN A 23 2.169 5.788 -10.725 1.00 0.00 C ATOM 417 OD1 ASN A 23 2.346 5.576 -11.924 1.00 0.00 O ATOM 418 ND2 ASN A 23 2.609 6.885 -10.120 1.00 0.00 N ATOM 0 H ASN A 23 0.348 1.966 -9.949 1.00 0.00 H new ATOM 0 HA ASN A 23 2.740 3.367 -10.786 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.360 4.847 -10.075 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.554 5.059 -8.809 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.116 7.592 -10.652 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.440 7.020 -9.123 1.00 0.00 H new ATOM 425 N ARG A 24 3.716 2.488 -8.702 1.00 0.00 N ATOM 426 CA ARG A 24 4.326 1.916 -7.505 1.00 0.00 C ATOM 427 C ARG A 24 4.440 2.947 -6.381 1.00 0.00 C ATOM 428 O ARG A 24 4.863 2.618 -5.272 1.00 0.00 O ATOM 429 CB ARG A 24 5.710 1.355 -7.835 1.00 0.00 C ATOM 430 CG ARG A 24 5.683 0.240 -8.867 1.00 0.00 C ATOM 431 CD ARG A 24 6.977 -0.558 -8.858 1.00 0.00 C ATOM 432 NE ARG A 24 7.259 -1.159 -10.160 1.00 0.00 N ATOM 433 CZ ARG A 24 8.309 -1.939 -10.403 1.00 0.00 C ATOM 434 NH1 ARG A 24 9.177 -2.216 -9.439 1.00 0.00 N ATOM 435 NH2 ARG A 24 8.490 -2.445 -11.616 1.00 0.00 N ATOM 0 H ARG A 24 4.368 2.652 -9.469 1.00 0.00 H new ATOM 0 HA ARG A 24 3.679 1.110 -7.159 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.343 2.163 -8.202 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.169 0.981 -6.920 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.843 -0.424 -8.665 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.522 0.664 -9.858 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.803 0.094 -8.573 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.914 -1.342 -8.103 1.00 0.00 H new ATOM 0 HE ARG A 24 6.613 -0.969 -10.927 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.042 -1.830 -8.505 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.980 -2.815 -9.632 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.825 -2.236 -12.360 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.294 -3.043 -11.804 1.00 0.00 H new ATOM 449 N TYR A 25 4.062 4.191 -6.666 1.00 0.00 N ATOM 450 CA TYR A 25 4.125 5.254 -5.672 1.00 0.00 C ATOM 451 C TYR A 25 2.725 5.641 -5.215 1.00 0.00 C ATOM 452 O TYR A 25 1.734 5.079 -5.681 1.00 0.00 O ATOM 453 CB TYR A 25 4.843 6.477 -6.246 1.00 0.00 C ATOM 454 CG TYR A 25 6.198 6.163 -6.843 1.00 0.00 C ATOM 455 CD1 TYR A 25 6.310 5.375 -7.982 1.00 0.00 C ATOM 456 CD2 TYR A 25 7.361 6.655 -6.267 1.00 0.00 C ATOM 457 CE1 TYR A 25 7.546 5.087 -8.530 1.00 0.00 C ATOM 458 CE2 TYR A 25 8.601 6.370 -6.809 1.00 0.00 C ATOM 459 CZ TYR A 25 8.687 5.587 -7.940 1.00 0.00 C ATOM 460 OH TYR A 25 9.919 5.302 -8.483 1.00 0.00 O ATOM 0 H TYR A 25 3.710 4.485 -7.577 1.00 0.00 H new ATOM 0 HA TYR A 25 4.685 4.886 -4.812 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.214 6.930 -7.013 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.967 7.218 -5.457 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.418 4.982 -8.446 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.297 7.270 -5.382 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.617 4.473 -9.416 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.497 6.759 -6.348 1.00 0.00 H new ATOM 0 HH TYR A 25 10.619 5.731 -7.948 1.00 0.00 H new ATOM 470 N LEU A 26 2.646 6.603 -4.305 1.00 0.00 N ATOM 471 CA LEU A 26 1.359 7.056 -3.794 1.00 0.00 C ATOM 472 C LEU A 26 1.379 8.548 -3.489 1.00 0.00 C ATOM 473 O LEU A 26 2.231 9.032 -2.744 1.00 0.00 O ATOM 474 CB LEU A 26 0.980 6.281 -2.527 1.00 0.00 C ATOM 475 CG LEU A 26 0.032 5.087 -2.715 1.00 0.00 C ATOM 476 CD1 LEU A 26 -0.691 4.793 -1.411 1.00 0.00 C ATOM 477 CD2 LEU A 26 -0.989 5.346 -3.812 1.00 0.00 C ATOM 0 H LEU A 26 3.453 7.083 -3.907 1.00 0.00 H new ATOM 0 HA LEU A 26 0.615 6.869 -4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.896 5.920 -2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.519 6.977 -1.826 1.00 0.00 H new ATOM 0 HG LEU A 26 0.635 4.228 -3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.362 3.945 -1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.038 4.555 -0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.268 5.667 -1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.641 4.478 -3.914 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.586 6.220 -3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.472 5.525 -4.755 1.00 0.00 H new ATOM 489 N THR A 27 0.421 9.266 -4.059 1.00 0.00 N ATOM 490 CA THR A 27 0.305 10.700 -3.841 1.00 0.00 C ATOM 491 C THR A 27 -0.655 10.974 -2.692 1.00 0.00 C ATOM 492 O THR A 27 -1.420 10.096 -2.294 1.00 0.00 O ATOM 493 CB THR A 27 -0.199 11.396 -5.106 1.00 0.00 C ATOM 494 OG1 THR A 27 -1.596 11.204 -5.257 1.00 0.00 O ATOM 495 CG2 THR A 27 0.473 10.908 -6.373 1.00 0.00 C ATOM 0 H THR A 27 -0.290 8.876 -4.678 1.00 0.00 H new ATOM 0 HA THR A 27 1.291 11.092 -3.592 1.00 0.00 H new ATOM 0 HB THR A 27 0.046 12.450 -4.972 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.074 11.976 -4.888 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.067 11.445 -7.230 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.546 11.087 -6.308 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.290 9.840 -6.494 1.00 0.00 H new ATOM 503 N GLU A 28 -0.628 12.193 -2.168 1.00 0.00 N ATOM 504 CA GLU A 28 -1.518 12.560 -1.075 1.00 0.00 C ATOM 505 C GLU A 28 -2.965 12.275 -1.463 1.00 0.00 C ATOM 506 O GLU A 28 -3.718 11.663 -0.706 1.00 0.00 O ATOM 507 CB GLU A 28 -1.351 14.039 -0.721 1.00 0.00 C ATOM 508 CG GLU A 28 -0.047 14.350 -0.004 1.00 0.00 C ATOM 509 CD GLU A 28 -0.251 14.684 1.461 1.00 0.00 C ATOM 510 OE1 GLU A 28 -1.283 14.265 2.027 1.00 0.00 O ATOM 511 OE2 GLU A 28 0.621 15.364 2.042 1.00 0.00 O ATOM 0 H GLU A 28 -0.005 12.938 -2.479 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.259 11.963 -0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.403 14.631 -1.635 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.185 14.350 -0.092 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.622 13.494 -0.088 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.444 15.188 -0.499 1.00 0.00 H new ATOM 518 N ARG A 29 -3.338 12.719 -2.660 1.00 0.00 N ATOM 519 CA ARG A 29 -4.685 12.514 -3.173 1.00 0.00 C ATOM 520 C ARG A 29 -5.022 11.028 -3.281 1.00 0.00 C ATOM 521 O ARG A 29 -6.139 10.616 -2.971 1.00 0.00 O ATOM 522 CB ARG A 29 -4.837 13.182 -4.541 1.00 0.00 C ATOM 523 CG ARG A 29 -4.500 14.664 -4.535 1.00 0.00 C ATOM 524 CD ARG A 29 -5.714 15.511 -4.185 1.00 0.00 C ATOM 525 NE ARG A 29 -5.432 16.447 -3.099 1.00 0.00 N ATOM 526 CZ ARG A 29 -4.762 17.586 -3.257 1.00 0.00 C ATOM 527 NH1 ARG A 29 -4.304 17.933 -4.454 1.00 0.00 N ATOM 528 NH2 ARG A 29 -4.550 18.380 -2.217 1.00 0.00 N ATOM 0 H ARG A 29 -2.721 13.226 -3.294 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.381 12.969 -2.468 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.192 12.674 -5.258 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.862 13.052 -4.887 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.703 14.854 -3.816 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.122 14.956 -5.515 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.036 16.065 -5.067 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.540 14.860 -3.898 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.768 16.214 -2.165 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.465 17.326 -5.257 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.791 18.807 -4.570 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.900 18.118 -1.296 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.036 19.253 -2.338 1.00 0.00 H new ATOM 542 N ARG A 30 -4.057 10.226 -3.730 1.00 0.00 N ATOM 543 CA ARG A 30 -4.274 8.793 -3.882 1.00 0.00 C ATOM 544 C ARG A 30 -4.433 8.117 -2.527 1.00 0.00 C ATOM 545 O ARG A 30 -5.320 7.285 -2.338 1.00 0.00 O ATOM 546 CB ARG A 30 -3.114 8.155 -4.649 1.00 0.00 C ATOM 547 CG ARG A 30 -3.339 8.081 -6.151 1.00 0.00 C ATOM 548 CD ARG A 30 -2.024 8.109 -6.916 1.00 0.00 C ATOM 549 NE ARG A 30 -1.802 6.880 -7.675 1.00 0.00 N ATOM 550 CZ ARG A 30 -2.239 6.681 -8.917 1.00 0.00 C ATOM 551 NH1 ARG A 30 -2.940 7.620 -9.542 1.00 0.00 N ATOM 552 NH2 ARG A 30 -1.976 5.538 -9.535 1.00 0.00 N ATOM 0 H ARG A 30 -3.124 10.544 -3.993 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.195 8.653 -4.448 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.205 8.725 -4.455 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.947 7.148 -4.266 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.882 7.168 -6.394 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.963 8.917 -6.468 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.019 8.960 -7.597 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.201 8.256 -6.216 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.280 6.128 -7.225 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.147 8.501 -9.071 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.271 7.461 -10.493 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.440 4.813 -9.059 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.310 5.384 -10.486 1.00 0.00 H new ATOM 566 N ARG A 31 -3.568 8.476 -1.585 1.00 0.00 N ATOM 567 CA ARG A 31 -3.619 7.896 -0.251 1.00 0.00 C ATOM 568 C ARG A 31 -4.925 8.259 0.451 1.00 0.00 C ATOM 569 O ARG A 31 -5.594 7.400 1.023 1.00 0.00 O ATOM 570 CB ARG A 31 -2.427 8.371 0.583 1.00 0.00 C ATOM 571 CG ARG A 31 -1.745 7.253 1.353 1.00 0.00 C ATOM 572 CD ARG A 31 -0.489 7.743 2.056 1.00 0.00 C ATOM 573 NE ARG A 31 0.714 7.484 1.268 1.00 0.00 N ATOM 574 CZ ARG A 31 1.242 8.350 0.403 1.00 0.00 C ATOM 575 NH1 ARG A 31 0.674 9.533 0.201 1.00 0.00 N ATOM 576 NH2 ARG A 31 2.340 8.029 -0.266 1.00 0.00 N ATOM 0 H ARG A 31 -2.826 9.163 -1.721 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.571 6.812 -0.352 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.699 8.846 -0.075 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.765 9.132 1.286 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.437 6.842 2.088 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.488 6.444 0.669 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.574 8.813 2.247 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.401 7.252 3.025 1.00 0.00 H new ATOM 0 HE ARG A 31 1.179 6.584 1.387 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.173 9.785 0.710 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.085 10.189 -0.463 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.780 7.121 -0.119 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.745 8.690 -0.928 1.00 0.00 H new ATOM 590 N GLN A 32 -5.282 9.540 0.401 1.00 0.00 N ATOM 591 CA GLN A 32 -6.508 10.019 1.033 1.00 0.00 C ATOM 592 C GLN A 32 -7.739 9.463 0.325 1.00 0.00 C ATOM 593 O GLN A 32 -8.727 9.105 0.967 1.00 0.00 O ATOM 594 CB GLN A 32 -6.550 11.548 1.025 1.00 0.00 C ATOM 595 CG GLN A 32 -7.525 12.134 2.035 1.00 0.00 C ATOM 596 CD GLN A 32 -8.273 13.337 1.493 1.00 0.00 C ATOM 597 OE1 GLN A 32 -8.301 14.397 2.117 1.00 0.00 O ATOM 598 NE2 GLN A 32 -8.884 13.177 0.325 1.00 0.00 N ATOM 0 H GLN A 32 -4.740 10.264 -0.070 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.514 9.668 2.065 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.551 11.932 1.231 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.823 11.891 0.027 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.242 11.367 2.329 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.981 12.424 2.934 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.834 12.280 -0.158 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.403 13.951 -0.089 1.00 0.00 H new ATOM 607 N GLN A 33 -7.673 9.393 -1.000 1.00 0.00 N ATOM 608 CA GLN A 33 -8.785 8.880 -1.791 1.00 0.00 C ATOM 609 C GLN A 33 -8.993 7.393 -1.527 1.00 0.00 C ATOM 610 O GLN A 33 -10.112 6.950 -1.265 1.00 0.00 O ATOM 611 CB GLN A 33 -8.534 9.116 -3.282 1.00 0.00 C ATOM 612 CG GLN A 33 -8.861 10.530 -3.737 1.00 0.00 C ATOM 613 CD GLN A 33 -9.969 10.569 -4.771 1.00 0.00 C ATOM 614 OE1 GLN A 33 -11.116 10.887 -4.457 1.00 0.00 O ATOM 615 NE2 GLN A 33 -9.631 10.245 -6.014 1.00 0.00 N ATOM 0 H GLN A 33 -6.863 9.684 -1.548 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.687 9.416 -1.496 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.488 8.904 -3.504 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.131 8.410 -3.859 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.154 11.127 -2.873 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.965 10.990 -4.153 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.668 9.988 -6.230 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.334 10.254 -6.753 1.00 0.00 H new ATOM 624 N LEU A 34 -7.908 6.627 -1.593 1.00 0.00 N ATOM 625 CA LEU A 34 -7.974 5.191 -1.354 1.00 0.00 C ATOM 626 C LEU A 34 -8.390 4.903 0.084 1.00 0.00 C ATOM 627 O LEU A 34 -9.167 3.984 0.346 1.00 0.00 O ATOM 628 CB LEU A 34 -6.619 4.540 -1.644 1.00 0.00 C ATOM 629 CG LEU A 34 -6.463 3.965 -3.053 1.00 0.00 C ATOM 630 CD1 LEU A 34 -6.718 5.039 -4.099 1.00 0.00 C ATOM 631 CD2 LEU A 34 -5.078 3.362 -3.232 1.00 0.00 C ATOM 0 H LEU A 34 -6.975 6.977 -1.810 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.722 4.769 -2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.836 5.280 -1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.456 3.740 -0.922 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.202 3.175 -3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.603 4.612 -5.095 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.731 5.425 -3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.003 5.852 -3.968 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.985 2.958 -4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.323 4.133 -3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.933 2.562 -2.506 1.00 0.00 H new ATOM 643 N SER A 35 -7.869 5.698 1.012 1.00 0.00 N ATOM 644 CA SER A 35 -8.185 5.537 2.425 1.00 0.00 C ATOM 645 C SER A 35 -9.678 5.715 2.668 1.00 0.00 C ATOM 646 O SER A 35 -10.306 4.918 3.364 1.00 0.00 O ATOM 647 CB SER A 35 -7.397 6.546 3.263 1.00 0.00 C ATOM 648 OG SER A 35 -7.934 7.850 3.130 1.00 0.00 O ATOM 0 H SER A 35 -7.224 6.462 0.810 1.00 0.00 H new ATOM 0 HA SER A 35 -7.902 4.528 2.724 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.416 6.247 4.311 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.353 6.546 2.951 1.00 0.00 H new ATOM 0 HG SER A 35 -8.161 8.016 2.191 1.00 0.00 H new ATOM 654 N SER A 36 -10.238 6.772 2.092 1.00 0.00 N ATOM 655 CA SER A 36 -11.659 7.067 2.242 1.00 0.00 C ATOM 656 C SER A 36 -12.523 6.038 1.515 1.00 0.00 C ATOM 657 O SER A 36 -13.576 5.636 2.011 1.00 0.00 O ATOM 658 CB SER A 36 -11.966 8.469 1.712 1.00 0.00 C ATOM 659 OG SER A 36 -13.118 9.009 2.336 1.00 0.00 O ATOM 0 H SER A 36 -9.729 7.441 1.515 1.00 0.00 H new ATOM 0 HA SER A 36 -11.898 7.020 3.305 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.112 9.123 1.889 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.118 8.428 0.633 1.00 0.00 H new ATOM 0 HG SER A 36 -13.292 9.906 1.981 1.00 0.00 H new ATOM 665 N GLU A 37 -12.079 5.628 0.331 1.00 0.00 N ATOM 666 CA GLU A 37 -12.818 4.660 -0.474 1.00 0.00 C ATOM 667 C GLU A 37 -12.850 3.283 0.186 1.00 0.00 C ATOM 668 O GLU A 37 -13.912 2.675 0.317 1.00 0.00 O ATOM 669 CB GLU A 37 -12.201 4.554 -1.870 1.00 0.00 C ATOM 670 CG GLU A 37 -13.227 4.586 -2.992 1.00 0.00 C ATOM 671 CD GLU A 37 -12.865 5.570 -4.087 1.00 0.00 C ATOM 672 OE1 GLU A 37 -12.615 6.751 -3.765 1.00 0.00 O ATOM 673 OE2 GLU A 37 -12.833 5.160 -5.267 1.00 0.00 O ATOM 0 H GLU A 37 -11.210 5.951 -0.093 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.845 5.016 -0.556 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.496 5.373 -2.010 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.630 3.628 -1.937 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.321 3.589 -3.422 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.202 4.849 -2.580 1.00 0.00 H new ATOM 680 N LEU A 38 -11.684 2.790 0.588 1.00 0.00 N ATOM 681 CA LEU A 38 -11.589 1.477 1.221 1.00 0.00 C ATOM 682 C LEU A 38 -11.854 1.556 2.724 1.00 0.00 C ATOM 683 O LEU A 38 -12.018 0.530 3.385 1.00 0.00 O ATOM 684 CB LEU A 38 -10.208 0.868 0.968 1.00 0.00 C ATOM 685 CG LEU A 38 -9.845 0.678 -0.505 1.00 0.00 C ATOM 686 CD1 LEU A 38 -8.401 0.222 -0.645 1.00 0.00 C ATOM 687 CD2 LEU A 38 -10.786 -0.322 -1.160 1.00 0.00 C ATOM 0 H LEU A 38 -10.793 3.277 0.488 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.354 0.840 0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.456 1.506 1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.158 -0.100 1.467 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.953 1.637 -1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.161 0.092 -1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.739 0.972 -0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.266 -0.725 -0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -10.514 -0.445 -2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.709 -1.282 -0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.810 0.044 -1.092 1.00 0.00 H new ATOM 699 N GLY A 39 -11.896 2.771 3.261 1.00 0.00 N ATOM 700 CA GLY A 39 -12.142 2.947 4.680 1.00 0.00 C ATOM 701 C GLY A 39 -10.957 2.531 5.531 1.00 0.00 C ATOM 702 O GLY A 39 -11.128 2.058 6.655 1.00 0.00 O ATOM 0 H GLY A 39 -11.764 3.637 2.738 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.378 3.993 4.878 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.016 2.363 4.969 1.00 0.00 H new ATOM 706 N LEU A 40 -9.754 2.708 4.996 1.00 0.00 N ATOM 707 CA LEU A 40 -8.536 2.349 5.716 1.00 0.00 C ATOM 708 C LEU A 40 -7.762 3.596 6.130 1.00 0.00 C ATOM 709 O LEU A 40 -8.091 4.707 5.716 1.00 0.00 O ATOM 710 CB LEU A 40 -7.650 1.454 4.847 1.00 0.00 C ATOM 711 CG LEU A 40 -8.230 0.072 4.535 1.00 0.00 C ATOM 712 CD1 LEU A 40 -7.709 -0.436 3.198 1.00 0.00 C ATOM 713 CD2 LEU A 40 -7.901 -0.910 5.652 1.00 0.00 C ATOM 0 H LEU A 40 -9.595 3.098 4.067 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.823 1.804 6.615 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.452 1.968 3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.690 1.324 5.347 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.314 0.160 4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.132 -1.419 2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.000 0.256 2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.622 -0.509 3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.321 -1.887 5.413 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.819 -0.995 5.754 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.327 -0.551 6.589 1.00 0.00 H new ATOM 725 N ASN A 41 -6.732 3.404 6.947 1.00 0.00 N ATOM 726 CA ASN A 41 -5.910 4.514 7.413 1.00 0.00 C ATOM 727 C ASN A 41 -4.850 4.876 6.377 1.00 0.00 C ATOM 728 O ASN A 41 -4.199 4.000 5.807 1.00 0.00 O ATOM 729 CB ASN A 41 -5.241 4.159 8.742 1.00 0.00 C ATOM 730 CG ASN A 41 -5.001 5.378 9.612 1.00 0.00 C ATOM 731 OD1 ASN A 41 -5.532 6.457 9.349 1.00 0.00 O ATOM 732 ND2 ASN A 41 -4.198 5.212 10.656 1.00 0.00 N ATOM 0 H ASN A 41 -6.447 2.490 7.300 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.559 5.377 7.561 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.866 3.448 9.282 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.290 3.663 8.546 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.000 5.997 11.277 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.779 4.300 10.837 1.00 0.00 H new ATOM 739 N GLU A 42 -4.679 6.174 6.137 1.00 0.00 N ATOM 740 CA GLU A 42 -3.697 6.653 5.168 1.00 0.00 C ATOM 741 C GLU A 42 -2.325 6.039 5.431 1.00 0.00 C ATOM 742 O GLU A 42 -1.624 5.639 4.503 1.00 0.00 O ATOM 743 CB GLU A 42 -3.602 8.179 5.219 1.00 0.00 C ATOM 744 CG GLU A 42 -4.661 8.883 4.386 1.00 0.00 C ATOM 745 CD GLU A 42 -4.361 10.356 4.188 1.00 0.00 C ATOM 746 OE1 GLU A 42 -4.299 11.090 5.195 1.00 0.00 O ATOM 747 OE2 GLU A 42 -4.190 10.776 3.024 1.00 0.00 O ATOM 0 H GLU A 42 -5.208 6.913 6.600 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.027 6.348 4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.690 8.506 6.255 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.615 8.485 4.871 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.736 8.397 3.413 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.631 8.775 4.871 1.00 0.00 H new ATOM 754 N ALA A 43 -1.951 5.965 6.705 1.00 0.00 N ATOM 755 CA ALA A 43 -0.666 5.396 7.093 1.00 0.00 C ATOM 756 C ALA A 43 -0.598 3.914 6.744 1.00 0.00 C ATOM 757 O ALA A 43 0.466 3.391 6.409 1.00 0.00 O ATOM 758 CB ALA A 43 -0.433 5.597 8.582 1.00 0.00 C ATOM 0 H ALA A 43 -2.520 6.292 7.486 1.00 0.00 H new ATOM 0 HA ALA A 43 0.118 5.912 6.538 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.530 5.168 8.861 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.435 6.663 8.810 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.226 5.104 9.144 1.00 0.00 H new ATOM 764 N GLN A 44 -1.743 3.244 6.821 1.00 0.00 N ATOM 765 CA GLN A 44 -1.815 1.821 6.514 1.00 0.00 C ATOM 766 C GLN A 44 -1.581 1.584 5.027 1.00 0.00 C ATOM 767 O GLN A 44 -0.866 0.659 4.639 1.00 0.00 O ATOM 768 CB GLN A 44 -3.175 1.257 6.931 1.00 0.00 C ATOM 769 CG GLN A 44 -3.099 0.283 8.096 1.00 0.00 C ATOM 770 CD GLN A 44 -3.122 0.980 9.442 1.00 0.00 C ATOM 771 OE1 GLN A 44 -2.158 0.914 10.205 1.00 0.00 O ATOM 772 NE2 GLN A 44 -4.227 1.653 9.741 1.00 0.00 N ATOM 0 H GLN A 44 -2.632 3.663 7.093 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.035 1.306 7.075 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.834 2.082 7.201 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.628 0.754 6.077 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.935 -0.413 8.037 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.186 -0.307 8.012 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.002 1.681 9.078 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.301 2.142 10.633 1.00 0.00 H new ATOM 781 N ILE A 45 -2.176 2.434 4.197 1.00 0.00 N ATOM 782 CA ILE A 45 -2.017 2.320 2.755 1.00 0.00 C ATOM 783 C ILE A 45 -0.570 2.592 2.361 1.00 0.00 C ATOM 784 O ILE A 45 0.001 1.891 1.525 1.00 0.00 O ATOM 785 CB ILE A 45 -2.939 3.300 2.003 1.00 0.00 C ATOM 786 CG1 ILE A 45 -4.386 3.137 2.470 1.00 0.00 C ATOM 787 CG2 ILE A 45 -2.836 3.084 0.500 1.00 0.00 C ATOM 788 CD1 ILE A 45 -5.243 4.358 2.220 1.00 0.00 C ATOM 0 H ILE A 45 -2.770 3.206 4.498 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.293 1.303 2.476 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.617 4.317 2.226 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.829 2.281 1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.392 2.911 3.536 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.494 3.785 -0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.808 3.249 0.178 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.133 2.063 0.258 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.256 4.171 2.576 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.824 5.212 2.752 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.268 4.572 1.152 1.00 0.00 H new ATOM 800 N LYS A 46 0.019 3.613 2.978 1.00 0.00 N ATOM 801 CA LYS A 46 1.402 3.980 2.703 1.00 0.00 C ATOM 802 C LYS A 46 2.343 2.816 2.996 1.00 0.00 C ATOM 803 O LYS A 46 3.224 2.502 2.196 1.00 0.00 O ATOM 804 CB LYS A 46 1.805 5.198 3.535 1.00 0.00 C ATOM 805 CG LYS A 46 3.040 5.912 3.010 1.00 0.00 C ATOM 806 CD LYS A 46 4.028 6.216 4.124 1.00 0.00 C ATOM 807 CE LYS A 46 5.263 6.925 3.593 1.00 0.00 C ATOM 808 NZ LYS A 46 6.338 7.018 4.620 1.00 0.00 N ATOM 0 H LYS A 46 -0.442 4.201 3.673 1.00 0.00 H new ATOM 0 HA LYS A 46 1.481 4.230 1.645 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.973 5.901 3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.987 4.882 4.562 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.523 5.294 2.253 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.744 6.841 2.522 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.547 6.837 4.879 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.322 5.288 4.614 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.640 6.391 2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.991 7.927 3.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.197 7.416 4.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.024 7.634 5.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.545 6.069 4.992 1.00 0.00 H new ATOM 822 N ILE A 47 2.148 2.174 4.146 1.00 0.00 N ATOM 823 CA ILE A 47 2.982 1.042 4.534 1.00 0.00 C ATOM 824 C ILE A 47 2.797 -0.122 3.564 1.00 0.00 C ATOM 825 O ILE A 47 3.760 -0.799 3.203 1.00 0.00 O ATOM 826 CB ILE A 47 2.664 0.568 5.969 1.00 0.00 C ATOM 827 CG1 ILE A 47 2.889 1.707 6.965 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.517 -0.640 6.342 1.00 0.00 C ATOM 829 CD1 ILE A 47 2.192 1.498 8.291 1.00 0.00 C ATOM 0 H ILE A 47 1.423 2.418 4.821 1.00 0.00 H new ATOM 0 HA ILE A 47 4.018 1.380 4.502 1.00 0.00 H new ATOM 0 HB ILE A 47 1.616 0.270 6.007 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.959 1.819 7.140 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.539 2.640 6.523 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.276 -0.956 7.357 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.314 -1.457 5.649 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.572 -0.371 6.287 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.396 2.345 8.947 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.117 1.416 8.128 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.560 0.583 8.755 1.00 0.00 H new ATOM 841 N TRP A 48 1.556 -0.346 3.145 1.00 0.00 N ATOM 842 CA TRP A 48 1.251 -1.426 2.214 1.00 0.00 C ATOM 843 C TRP A 48 1.977 -1.218 0.890 1.00 0.00 C ATOM 844 O TRP A 48 2.594 -2.141 0.357 1.00 0.00 O ATOM 845 CB TRP A 48 -0.257 -1.512 1.972 1.00 0.00 C ATOM 846 CG TRP A 48 -0.648 -2.648 1.078 1.00 0.00 C ATOM 847 CD1 TRP A 48 -0.939 -3.927 1.459 1.00 0.00 C ATOM 848 CD2 TRP A 48 -0.788 -2.612 -0.348 1.00 0.00 C ATOM 849 NE1 TRP A 48 -1.249 -4.688 0.359 1.00 0.00 N ATOM 850 CE2 TRP A 48 -1.165 -3.905 -0.762 1.00 0.00 C ATOM 851 CE3 TRP A 48 -0.631 -1.614 -1.316 1.00 0.00 C ATOM 852 CZ2 TRP A 48 -1.387 -4.224 -2.099 1.00 0.00 C ATOM 853 CZ3 TRP A 48 -0.852 -1.933 -2.642 1.00 0.00 C ATOM 854 CH2 TRP A 48 -1.227 -3.228 -3.023 1.00 0.00 C ATOM 0 H TRP A 48 0.747 0.204 3.434 1.00 0.00 H new ATOM 0 HA TRP A 48 1.593 -2.361 2.657 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.766 -1.620 2.930 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.602 -0.576 1.531 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -0.927 -4.287 2.477 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.501 -5.676 0.374 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.342 -0.613 -1.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.675 -5.222 -2.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.734 -1.171 -3.398 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.393 -3.444 -4.068 1.00 0.00 H new ATOM 865 N PHE A 49 1.900 0.000 0.365 1.00 0.00 N ATOM 866 CA PHE A 49 2.552 0.332 -0.896 1.00 0.00 C ATOM 867 C PHE A 49 4.067 0.209 -0.774 1.00 0.00 C ATOM 868 O PHE A 49 4.733 -0.302 -1.674 1.00 0.00 O ATOM 869 CB PHE A 49 2.172 1.749 -1.332 1.00 0.00 C ATOM 870 CG PHE A 49 1.143 1.783 -2.426 1.00 0.00 C ATOM 871 CD1 PHE A 49 -0.208 1.726 -2.127 1.00 0.00 C ATOM 872 CD2 PHE A 49 1.529 1.872 -3.754 1.00 0.00 C ATOM 873 CE1 PHE A 49 -1.157 1.757 -3.131 1.00 0.00 C ATOM 874 CE2 PHE A 49 0.586 1.903 -4.762 1.00 0.00 C ATOM 875 CZ PHE A 49 -0.759 1.845 -4.451 1.00 0.00 C ATOM 0 H PHE A 49 1.392 0.774 0.794 1.00 0.00 H new ATOM 0 HA PHE A 49 2.211 -0.375 -1.652 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.792 2.297 -0.469 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.068 2.269 -1.670 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.524 1.656 -1.097 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.579 1.918 -4.003 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.208 1.713 -2.884 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.900 1.973 -5.793 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.498 1.868 -5.238 1.00 0.00 H new ATOM 885 N GLN A 50 4.606 0.683 0.345 1.00 0.00 N ATOM 886 CA GLN A 50 6.043 0.624 0.582 1.00 0.00 C ATOM 887 C GLN A 50 6.524 -0.821 0.645 1.00 0.00 C ATOM 888 O GLN A 50 7.574 -1.160 0.099 1.00 0.00 O ATOM 889 CB GLN A 50 6.398 1.351 1.881 1.00 0.00 C ATOM 890 CG GLN A 50 7.747 2.051 1.835 1.00 0.00 C ATOM 891 CD GLN A 50 7.641 3.541 2.099 1.00 0.00 C ATOM 892 OE1 GLN A 50 8.176 4.356 1.346 1.00 0.00 O ATOM 893 NE2 GLN A 50 6.950 3.905 3.173 1.00 0.00 N ATOM 0 H GLN A 50 4.070 1.111 1.100 1.00 0.00 H new ATOM 0 HA GLN A 50 6.544 1.119 -0.250 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.623 2.086 2.100 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.398 0.633 2.701 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.411 1.601 2.574 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.202 1.891 0.858 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.523 3.196 3.769 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.846 4.894 3.402 1.00 0.00 H new ATOM 902 N ASN A 51 5.748 -1.670 1.311 1.00 0.00 N ATOM 903 CA ASN A 51 6.096 -3.080 1.440 1.00 0.00 C ATOM 904 C ASN A 51 6.029 -3.779 0.087 1.00 0.00 C ATOM 905 O ASN A 51 6.888 -4.595 -0.244 1.00 0.00 O ATOM 906 CB ASN A 51 5.160 -3.772 2.433 1.00 0.00 C ATOM 907 CG ASN A 51 5.259 -3.188 3.829 1.00 0.00 C ATOM 908 OD1 ASN A 51 4.247 -2.887 4.461 1.00 0.00 O ATOM 909 ND2 ASN A 51 6.483 -3.026 4.319 1.00 0.00 N ATOM 0 H ASN A 51 4.875 -1.407 1.769 1.00 0.00 H new ATOM 0 HA ASN A 51 7.118 -3.144 1.814 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.133 -3.686 2.079 1.00 0.00 H new ATOM 0 HB3 ASN A 51 5.397 -4.835 2.470 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.611 -2.639 5.254 1.00 0.00 H new ATOM 0 HD22 ASN A 51 7.295 -3.289 3.760 1.00 0.00 H new ATOM 916 N LYS A 52 5.007 -3.448 -0.695 1.00 0.00 N ATOM 917 CA LYS A 52 4.839 -4.040 -2.015 1.00 0.00 C ATOM 918 C LYS A 52 5.948 -3.577 -2.949 1.00 0.00 C ATOM 919 O LYS A 52 6.472 -4.359 -3.736 1.00 0.00 O ATOM 920 CB LYS A 52 3.469 -3.679 -2.595 1.00 0.00 C ATOM 921 CG LYS A 52 2.543 -4.874 -2.757 1.00 0.00 C ATOM 922 CD LYS A 52 1.711 -4.770 -4.027 1.00 0.00 C ATOM 923 CE LYS A 52 1.939 -5.961 -4.945 1.00 0.00 C ATOM 924 NZ LYS A 52 1.729 -5.607 -6.376 1.00 0.00 N ATOM 0 H LYS A 52 4.285 -2.775 -0.438 1.00 0.00 H new ATOM 0 HA LYS A 52 4.897 -5.124 -1.916 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.991 -2.945 -1.946 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.609 -3.204 -3.566 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.132 -5.791 -2.781 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.882 -4.943 -1.893 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.654 -4.708 -3.766 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.964 -3.850 -4.554 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.954 -6.335 -4.809 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.261 -6.768 -4.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.233 -6.288 -6.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.713 -5.636 -6.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.094 -4.650 -6.554 1.00 0.00 H new ATOM 938 N ARG A 53 6.312 -2.305 -2.845 1.00 0.00 N ATOM 939 CA ARG A 53 7.373 -1.751 -3.675 1.00 0.00 C ATOM 940 C ARG A 53 8.703 -2.433 -3.364 1.00 0.00 C ATOM 941 O ARG A 53 9.644 -2.373 -4.155 1.00 0.00 O ATOM 942 CB ARG A 53 7.492 -0.242 -3.449 1.00 0.00 C ATOM 943 CG ARG A 53 8.098 0.504 -4.628 1.00 0.00 C ATOM 944 CD ARG A 53 9.604 0.305 -4.701 1.00 0.00 C ATOM 945 NE ARG A 53 10.308 1.558 -4.969 1.00 0.00 N ATOM 946 CZ ARG A 53 11.144 1.747 -5.991 1.00 0.00 C ATOM 947 NH1 ARG A 53 11.391 0.769 -6.856 1.00 0.00 N ATOM 948 NH2 ARG A 53 11.736 2.923 -6.150 1.00 0.00 N ATOM 0 H ARG A 53 5.890 -1.640 -2.197 1.00 0.00 H new ATOM 0 HA ARG A 53 7.123 -1.931 -4.720 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.502 0.165 -3.242 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.102 -0.063 -2.564 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.639 0.157 -5.554 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.875 1.567 -4.540 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.960 -0.118 -3.761 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.837 -0.417 -5.484 1.00 0.00 H new ATOM 0 HE ARG A 53 10.149 2.339 -4.333 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.939 -0.138 -6.742 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.032 0.926 -7.634 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.552 3.680 -5.492 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.376 3.070 -6.931 1.00 0.00 H new