USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 393 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 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 22 ASN : amide:sc= -0.0715 X(o=-0.071,f=-0.053) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0337 USER MOD Single : A 29 SER OG : rot 180:sc= 0.124 USER MOD Single : A 33 GLN : amide:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 139:sc= -0.0525 (180deg=-0.306) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -149:sc= -0.354 (180deg=-0.909) USER MOD Single : A 61 SER OG : rot -160:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.218 USER MOD Single : A 75 LYS NZ :NH3+ 151:sc= 0.951 (180deg=0.404) USER MOD ----------------------------------------------------------------- ATOM 168 N PHE A 14 8.009 0.235 -22.117 1.00 0.00 N ATOM 169 CA PHE A 14 8.660 -0.284 -20.921 1.00 0.00 C ATOM 170 C PHE A 14 7.762 -1.288 -20.204 1.00 0.00 C ATOM 171 O PHE A 14 6.541 -1.273 -20.369 1.00 0.00 O ATOM 172 CB PHE A 14 9.021 0.861 -19.972 1.00 0.00 C ATOM 173 CG PHE A 14 10.305 1.553 -20.330 1.00 0.00 C ATOM 174 CD1 PHE A 14 10.395 2.329 -21.474 1.00 0.00 C ATOM 175 CD2 PHE A 14 11.424 1.427 -19.521 1.00 0.00 C ATOM 176 CE1 PHE A 14 11.575 2.967 -21.805 1.00 0.00 C ATOM 177 CE2 PHE A 14 12.606 2.063 -19.847 1.00 0.00 C ATOM 178 CZ PHE A 14 12.683 2.833 -20.991 1.00 0.00 C ATOM 0 HA PHE A 14 9.573 -0.794 -21.229 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.212 1.591 -19.972 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.098 0.471 -18.957 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.532 2.437 -22.115 1.00 0.00 H new ATOM 0 HD2 PHE A 14 11.371 0.825 -18.626 1.00 0.00 H new ATOM 0 HE1 PHE A 14 11.631 3.570 -22.699 1.00 0.00 H new ATOM 0 HE2 PHE A 14 13.470 1.958 -19.207 1.00 0.00 H new ATOM 0 HZ PHE A 14 13.607 3.329 -21.248 1.00 0.00 H new ATOM 188 N ILE A 15 8.374 -2.160 -19.410 1.00 0.00 N ATOM 189 CA ILE A 15 7.630 -3.171 -18.668 1.00 0.00 C ATOM 190 C ILE A 15 8.052 -3.199 -17.203 1.00 0.00 C ATOM 191 O ILE A 15 9.229 -3.035 -16.881 1.00 0.00 O ATOM 192 CB ILE A 15 7.827 -4.573 -19.275 1.00 0.00 C ATOM 193 CG1 ILE A 15 6.983 -5.602 -18.520 1.00 0.00 C ATOM 194 CG2 ILE A 15 9.298 -4.961 -19.244 1.00 0.00 C ATOM 195 CD1 ILE A 15 6.919 -6.949 -19.204 1.00 0.00 C ATOM 0 H ILE A 15 9.383 -2.187 -19.264 1.00 0.00 H new ATOM 0 HA ILE A 15 6.576 -2.900 -18.735 1.00 0.00 H new ATOM 0 HB ILE A 15 7.498 -4.553 -20.314 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.393 -5.731 -17.518 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.971 -5.214 -18.403 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.422 -5.954 -19.676 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.877 -4.240 -19.821 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.651 -4.968 -18.213 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.304 -7.628 -18.613 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.481 -6.833 -20.196 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.925 -7.358 -19.297 1.00 0.00 H new ATOM 207 N THR A 16 7.082 -3.410 -16.318 1.00 0.00 N ATOM 208 CA THR A 16 7.352 -3.461 -14.887 1.00 0.00 C ATOM 209 C THR A 16 8.139 -4.714 -14.520 1.00 0.00 C ATOM 210 O THR A 16 8.127 -5.703 -15.252 1.00 0.00 O ATOM 211 CB THR A 16 6.048 -3.429 -14.068 1.00 0.00 C ATOM 212 OG1 THR A 16 4.928 -3.235 -14.938 1.00 0.00 O ATOM 213 CG2 THR A 16 6.088 -2.317 -13.030 1.00 0.00 C ATOM 0 H THR A 16 6.103 -3.548 -16.568 1.00 0.00 H new ATOM 0 HA THR A 16 7.946 -2.579 -14.646 1.00 0.00 H new ATOM 0 HB THR A 16 5.946 -4.383 -13.552 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.103 -3.218 -14.410 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.157 -2.314 -12.464 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.925 -2.483 -12.351 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.212 -1.357 -13.530 1.00 0.00 H new ATOM 221 N GLY A 17 8.822 -4.666 -13.380 1.00 0.00 N ATOM 222 CA GLY A 17 9.604 -5.804 -12.935 1.00 0.00 C ATOM 223 C GLY A 17 8.749 -7.028 -12.673 1.00 0.00 C ATOM 224 O GLY A 17 8.854 -8.031 -13.381 1.00 0.00 O ATOM 0 H GLY A 17 8.847 -3.859 -12.757 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.354 -6.043 -13.689 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.141 -5.538 -12.025 1.00 0.00 H new ATOM 228 N VAL A 18 7.902 -6.949 -11.652 1.00 0.00 N ATOM 229 CA VAL A 18 7.026 -8.059 -11.298 1.00 0.00 C ATOM 230 C VAL A 18 6.236 -8.544 -12.508 1.00 0.00 C ATOM 231 O VAL A 18 5.913 -9.727 -12.618 1.00 0.00 O ATOM 232 CB VAL A 18 6.042 -7.663 -10.181 1.00 0.00 C ATOM 233 CG1 VAL A 18 5.144 -6.523 -10.639 1.00 0.00 C ATOM 234 CG2 VAL A 18 5.214 -8.864 -9.750 1.00 0.00 C ATOM 0 H VAL A 18 7.804 -6.128 -11.055 1.00 0.00 H new ATOM 0 HA VAL A 18 7.666 -8.865 -10.939 1.00 0.00 H new ATOM 0 HB VAL A 18 6.616 -7.318 -9.321 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.456 -6.257 -9.837 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.756 -5.658 -10.894 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.576 -6.837 -11.515 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.524 -8.566 -8.960 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.649 -9.241 -10.602 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.875 -9.647 -9.378 1.00 0.00 H new ATOM 244 N ARG A 19 5.928 -7.622 -13.414 1.00 0.00 N ATOM 245 CA ARG A 19 5.174 -7.955 -14.617 1.00 0.00 C ATOM 246 C ARG A 19 5.956 -8.927 -15.497 1.00 0.00 C ATOM 247 O ARG A 19 5.404 -9.903 -16.003 1.00 0.00 O ATOM 248 CB ARG A 19 4.846 -6.687 -15.407 1.00 0.00 C ATOM 249 CG ARG A 19 3.413 -6.213 -15.230 1.00 0.00 C ATOM 250 CD ARG A 19 2.817 -5.737 -16.546 1.00 0.00 C ATOM 251 NE ARG A 19 1.773 -6.636 -17.030 1.00 0.00 N ATOM 252 CZ ARG A 19 0.569 -6.729 -16.477 1.00 0.00 C ATOM 253 NH1 ARG A 19 0.258 -5.982 -15.427 1.00 0.00 N ATOM 254 NH2 ARG A 19 -0.328 -7.570 -16.976 1.00 0.00 N ATOM 0 H ARG A 19 6.189 -6.639 -13.338 1.00 0.00 H new ATOM 0 HA ARG A 19 4.244 -8.435 -14.311 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.524 -5.891 -15.098 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.031 -6.870 -16.465 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.807 -7.025 -14.827 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.384 -5.402 -14.502 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.403 -4.737 -16.416 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.606 -5.661 -17.295 1.00 0.00 H new ATOM 0 HE ARG A 19 1.980 -7.225 -17.837 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.944 -5.333 -15.041 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.668 -6.056 -15.005 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.093 -8.146 -17.785 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.252 -7.641 -16.551 1.00 0.00 H new ATOM 268 N ALA A 20 7.244 -8.652 -15.673 1.00 0.00 N ATOM 269 CA ALA A 20 8.102 -9.502 -16.490 1.00 0.00 C ATOM 270 C ALA A 20 8.374 -10.833 -15.798 1.00 0.00 C ATOM 271 O ALA A 20 8.422 -11.880 -16.444 1.00 0.00 O ATOM 272 CB ALA A 20 9.410 -8.789 -16.800 1.00 0.00 C ATOM 0 H ALA A 20 7.716 -7.847 -15.261 1.00 0.00 H new ATOM 0 HA ALA A 20 7.583 -9.708 -17.426 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.041 -9.435 -17.411 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.202 -7.867 -17.343 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.926 -8.553 -15.869 1.00 0.00 H new ATOM 278 N ILE A 21 8.552 -10.785 -14.482 1.00 0.00 N ATOM 279 CA ILE A 21 8.819 -11.988 -13.704 1.00 0.00 C ATOM 280 C ILE A 21 7.677 -12.991 -13.832 1.00 0.00 C ATOM 281 O ILE A 21 7.889 -14.201 -13.760 1.00 0.00 O ATOM 282 CB ILE A 21 9.033 -11.659 -12.214 1.00 0.00 C ATOM 283 CG1 ILE A 21 10.186 -10.667 -12.049 1.00 0.00 C ATOM 284 CG2 ILE A 21 9.304 -12.931 -11.425 1.00 0.00 C ATOM 285 CD1 ILE A 21 10.237 -10.021 -10.682 1.00 0.00 C ATOM 0 H ILE A 21 8.516 -9.926 -13.933 1.00 0.00 H new ATOM 0 HA ILE A 21 9.732 -12.427 -14.106 1.00 0.00 H new ATOM 0 HB ILE A 21 8.125 -11.199 -11.824 1.00 0.00 H new ATOM 0 HG12 ILE A 21 11.128 -11.184 -12.233 1.00 0.00 H new ATOM 0 HG13 ILE A 21 10.096 -9.889 -12.807 1.00 0.00 H new ATOM 0 HG21 ILE A 21 9.453 -12.683 -10.374 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.454 -13.607 -11.521 1.00 0.00 H new ATOM 0 HG23 ILE A 21 10.199 -13.416 -11.814 1.00 0.00 H new ATOM 0 HD11 ILE A 21 11.079 -9.330 -10.637 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.310 -9.476 -10.502 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.359 -10.791 -9.920 1.00 0.00 H new ATOM 297 N ASN A 22 6.466 -12.479 -14.025 1.00 0.00 N ATOM 298 CA ASN A 22 5.290 -13.329 -14.166 1.00 0.00 C ATOM 299 C ASN A 22 5.023 -13.651 -15.633 1.00 0.00 C ATOM 300 O ASN A 22 4.887 -14.815 -16.008 1.00 0.00 O ATOM 301 CB ASN A 22 4.066 -12.648 -13.550 1.00 0.00 C ATOM 302 CG ASN A 22 3.932 -12.930 -12.066 1.00 0.00 C ATOM 303 OD1 ASN A 22 3.790 -14.081 -11.652 1.00 0.00 O ATOM 304 ND2 ASN A 22 3.977 -11.878 -11.258 1.00 0.00 N ATOM 0 H ASN A 22 6.273 -11.479 -14.087 1.00 0.00 H new ATOM 0 HA ASN A 22 5.482 -14.263 -13.638 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.135 -11.572 -13.708 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.167 -12.988 -14.064 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.892 -12.006 -10.250 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.096 -10.942 -11.646 1.00 0.00 H new ATOM 311 N GLU A 23 4.951 -12.611 -16.458 1.00 0.00 N ATOM 312 CA GLU A 23 4.700 -12.783 -17.884 1.00 0.00 C ATOM 313 C GLU A 23 5.710 -13.746 -18.501 1.00 0.00 C ATOM 314 O GLU A 23 5.338 -14.767 -19.080 1.00 0.00 O ATOM 315 CB GLU A 23 4.761 -11.433 -18.602 1.00 0.00 C ATOM 316 CG GLU A 23 3.534 -10.567 -18.375 1.00 0.00 C ATOM 317 CD GLU A 23 2.604 -10.548 -19.573 1.00 0.00 C ATOM 318 OE1 GLU A 23 2.335 -11.631 -20.133 1.00 0.00 O ATOM 319 OE2 GLU A 23 2.146 -9.449 -19.950 1.00 0.00 O ATOM 0 H GLU A 23 5.063 -11.641 -16.163 1.00 0.00 H new ATOM 0 HA GLU A 23 3.702 -13.204 -18.003 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.645 -10.891 -18.265 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.881 -11.605 -19.672 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.991 -10.934 -17.504 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.849 -9.549 -18.148 1.00 0.00 H new ATOM 326 N PHE A 24 6.991 -13.414 -18.373 1.00 0.00 N ATOM 327 CA PHE A 24 8.055 -14.247 -18.919 1.00 0.00 C ATOM 328 C PHE A 24 8.328 -15.444 -18.013 1.00 0.00 C ATOM 329 O PHE A 24 8.965 -16.415 -18.424 1.00 0.00 O ATOM 330 CB PHE A 24 9.334 -13.426 -19.098 1.00 0.00 C ATOM 331 CG PHE A 24 9.210 -12.341 -20.129 1.00 0.00 C ATOM 332 CD1 PHE A 24 8.550 -11.159 -19.834 1.00 0.00 C ATOM 333 CD2 PHE A 24 9.754 -12.503 -21.393 1.00 0.00 C ATOM 334 CE1 PHE A 24 8.435 -10.158 -20.781 1.00 0.00 C ATOM 335 CE2 PHE A 24 9.643 -11.505 -22.343 1.00 0.00 C ATOM 336 CZ PHE A 24 8.981 -10.332 -22.037 1.00 0.00 C ATOM 0 H PHE A 24 7.317 -12.573 -17.896 1.00 0.00 H new ATOM 0 HA PHE A 24 7.730 -14.617 -19.892 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.606 -12.978 -18.142 1.00 0.00 H new ATOM 0 HB3 PHE A 24 10.148 -14.093 -19.380 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.120 -11.018 -18.853 1.00 0.00 H new ATOM 0 HD2 PHE A 24 10.270 -13.419 -21.639 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.919 -9.241 -20.538 1.00 0.00 H new ATOM 0 HE2 PHE A 24 10.074 -11.642 -23.324 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.891 -9.552 -22.779 1.00 0.00 H new ATOM 346 N CYS A 25 7.843 -15.366 -16.779 1.00 0.00 N ATOM 347 CA CYS A 25 8.035 -16.442 -15.813 1.00 0.00 C ATOM 348 C CYS A 25 9.516 -16.637 -15.504 1.00 0.00 C ATOM 349 O CYS A 25 10.041 -17.747 -15.603 1.00 0.00 O ATOM 350 CB CYS A 25 7.436 -17.745 -16.343 1.00 0.00 C ATOM 351 SG CYS A 25 6.841 -18.863 -15.053 1.00 0.00 S ATOM 0 H CYS A 25 7.314 -14.569 -16.424 1.00 0.00 H new ATOM 0 HA CYS A 25 7.523 -16.165 -14.891 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.609 -17.506 -17.012 1.00 0.00 H new ATOM 0 HB3 CYS A 25 8.188 -18.262 -16.938 1.00 0.00 H new ATOM 0 HG CYS A 25 6.351 -19.935 -15.600 1.00 0.00 H new ATOM 357 N LEU A 26 10.185 -15.552 -15.131 1.00 0.00 N ATOM 358 CA LEU A 26 11.607 -15.603 -14.809 1.00 0.00 C ATOM 359 C LEU A 26 11.826 -15.546 -13.301 1.00 0.00 C ATOM 360 O LEU A 26 10.878 -15.639 -12.521 1.00 0.00 O ATOM 361 CB LEU A 26 12.345 -14.447 -15.487 1.00 0.00 C ATOM 362 CG LEU A 26 11.996 -14.196 -16.954 1.00 0.00 C ATOM 363 CD1 LEU A 26 12.533 -12.848 -17.408 1.00 0.00 C ATOM 364 CD2 LEU A 26 12.544 -15.313 -17.831 1.00 0.00 C ATOM 0 H LEU A 26 9.766 -14.626 -15.044 1.00 0.00 H new ATOM 0 HA LEU A 26 12.005 -16.548 -15.180 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.144 -13.535 -14.925 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.416 -14.635 -15.416 1.00 0.00 H new ATOM 0 HG LEU A 26 10.910 -14.183 -17.052 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.275 -12.687 -18.455 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.093 -12.058 -16.800 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.617 -12.831 -17.295 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.286 -15.118 -18.872 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.628 -15.358 -17.728 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.111 -16.264 -17.522 1.00 0.00 H new ATOM 376 N LYS A 27 13.082 -15.391 -12.896 1.00 0.00 N ATOM 377 CA LYS A 27 13.427 -15.318 -11.481 1.00 0.00 C ATOM 378 C LYS A 27 13.839 -13.901 -11.094 1.00 0.00 C ATOM 379 O LYS A 27 14.434 -13.178 -11.893 1.00 0.00 O ATOM 380 CB LYS A 27 14.560 -16.296 -11.160 1.00 0.00 C ATOM 381 CG LYS A 27 14.081 -17.602 -10.550 1.00 0.00 C ATOM 382 CD LYS A 27 14.206 -18.755 -11.531 1.00 0.00 C ATOM 383 CE LYS A 27 15.660 -19.145 -11.751 1.00 0.00 C ATOM 384 NZ LYS A 27 15.841 -20.623 -11.764 1.00 0.00 N ATOM 0 H LYS A 27 13.879 -15.313 -13.528 1.00 0.00 H new ATOM 0 HA LYS A 27 12.544 -15.592 -10.903 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.112 -16.513 -12.075 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.258 -15.818 -10.473 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.662 -17.821 -9.654 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.042 -17.499 -10.238 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.650 -19.615 -11.156 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.755 -18.475 -12.483 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.009 -18.728 -12.696 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.276 -18.710 -10.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.845 -20.848 -11.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.532 -21.019 -10.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.273 -21.036 -12.531 1.00 0.00 H new ATOM 398 N SER A 28 13.521 -13.512 -9.864 1.00 0.00 N ATOM 399 CA SER A 28 13.856 -12.181 -9.372 1.00 0.00 C ATOM 400 C SER A 28 15.362 -11.944 -9.431 1.00 0.00 C ATOM 401 O SER A 28 15.816 -10.847 -9.756 1.00 0.00 O ATOM 402 CB SER A 28 13.357 -12.004 -7.937 1.00 0.00 C ATOM 403 OG SER A 28 14.225 -12.638 -7.013 1.00 0.00 O ATOM 0 H SER A 28 13.031 -14.100 -9.189 1.00 0.00 H new ATOM 0 HA SER A 28 13.364 -11.449 -10.013 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.284 -10.942 -7.702 1.00 0.00 H new ATOM 0 HB3 SER A 28 12.354 -12.421 -7.843 1.00 0.00 H new ATOM 0 HG SER A 28 13.885 -12.509 -6.103 1.00 0.00 H new ATOM 409 N SER A 29 16.131 -12.980 -9.115 1.00 0.00 N ATOM 410 CA SER A 29 17.586 -12.885 -9.129 1.00 0.00 C ATOM 411 C SER A 29 18.096 -12.561 -10.530 1.00 0.00 C ATOM 412 O SER A 29 19.158 -11.958 -10.692 1.00 0.00 O ATOM 413 CB SER A 29 18.209 -14.193 -8.637 1.00 0.00 C ATOM 414 OG SER A 29 17.232 -15.033 -8.047 1.00 0.00 O ATOM 0 H SER A 29 15.771 -13.896 -8.846 1.00 0.00 H new ATOM 0 HA SER A 29 17.879 -12.077 -8.459 1.00 0.00 H new ATOM 0 HB2 SER A 29 18.682 -14.711 -9.472 1.00 0.00 H new ATOM 0 HB3 SER A 29 18.993 -13.976 -7.911 1.00 0.00 H new ATOM 0 HG SER A 29 17.655 -15.863 -7.742 1.00 0.00 H new ATOM 420 N ASP A 30 17.333 -12.966 -11.539 1.00 0.00 N ATOM 421 CA ASP A 30 17.706 -12.719 -12.927 1.00 0.00 C ATOM 422 C ASP A 30 17.398 -11.278 -13.324 1.00 0.00 C ATOM 423 O ASP A 30 18.236 -10.592 -13.911 1.00 0.00 O ATOM 424 CB ASP A 30 16.968 -13.685 -13.855 1.00 0.00 C ATOM 425 CG ASP A 30 17.592 -15.067 -13.865 1.00 0.00 C ATOM 426 OD1 ASP A 30 17.736 -15.661 -12.776 1.00 0.00 O ATOM 427 OD2 ASP A 30 17.935 -15.554 -14.962 1.00 0.00 O ATOM 0 H ASP A 30 16.452 -13.467 -11.422 1.00 0.00 H new ATOM 0 HA ASP A 30 18.779 -12.883 -13.024 1.00 0.00 H new ATOM 0 HB2 ASP A 30 15.927 -13.762 -13.542 1.00 0.00 H new ATOM 0 HB3 ASP A 30 16.967 -13.282 -14.868 1.00 0.00 H new ATOM 432 N LEU A 31 16.191 -10.826 -13.001 1.00 0.00 N ATOM 433 CA LEU A 31 15.772 -9.467 -13.325 1.00 0.00 C ATOM 434 C LEU A 31 16.741 -8.444 -12.740 1.00 0.00 C ATOM 435 O LEU A 31 17.167 -7.516 -13.427 1.00 0.00 O ATOM 436 CB LEU A 31 14.360 -9.208 -12.797 1.00 0.00 C ATOM 437 CG LEU A 31 13.212 -9.629 -13.715 1.00 0.00 C ATOM 438 CD1 LEU A 31 13.151 -8.728 -14.940 1.00 0.00 C ATOM 439 CD2 LEU A 31 13.366 -11.085 -14.129 1.00 0.00 C ATOM 0 H LEU A 31 15.486 -11.380 -12.515 1.00 0.00 H new ATOM 0 HA LEU A 31 15.773 -9.362 -14.410 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.248 -9.729 -11.846 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.261 -8.142 -12.590 1.00 0.00 H new ATOM 0 HG LEU A 31 12.276 -9.526 -13.166 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.328 -9.042 -15.582 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.992 -7.697 -14.625 1.00 0.00 H new ATOM 0 HD13 LEU A 31 14.089 -8.799 -15.491 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.540 -11.367 -14.782 1.00 0.00 H new ATOM 0 HD22 LEU A 31 14.309 -11.214 -14.660 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.359 -11.718 -13.242 1.00 0.00 H new ATOM 451 N GLU A 32 17.086 -8.622 -11.469 1.00 0.00 N ATOM 452 CA GLU A 32 18.006 -7.715 -10.793 1.00 0.00 C ATOM 453 C GLU A 32 19.357 -7.683 -11.502 1.00 0.00 C ATOM 454 O GLU A 32 20.081 -6.690 -11.433 1.00 0.00 O ATOM 455 CB GLU A 32 18.193 -8.136 -9.334 1.00 0.00 C ATOM 456 CG GLU A 32 18.880 -9.482 -9.173 1.00 0.00 C ATOM 457 CD GLU A 32 19.377 -9.718 -7.760 1.00 0.00 C ATOM 458 OE1 GLU A 32 18.829 -9.096 -6.826 1.00 0.00 O ATOM 459 OE2 GLU A 32 20.314 -10.525 -7.588 1.00 0.00 O ATOM 0 H GLU A 32 16.742 -9.386 -10.887 1.00 0.00 H new ATOM 0 HA GLU A 32 17.576 -6.714 -10.822 1.00 0.00 H new ATOM 0 HB2 GLU A 32 18.777 -7.375 -8.817 1.00 0.00 H new ATOM 0 HB3 GLU A 32 17.218 -8.174 -8.848 1.00 0.00 H new ATOM 0 HG2 GLU A 32 18.185 -10.276 -9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 32 19.720 -9.542 -9.865 1.00 0.00 H new ATOM 466 N GLN A 33 19.688 -8.776 -12.183 1.00 0.00 N ATOM 467 CA GLN A 33 20.952 -8.873 -12.903 1.00 0.00 C ATOM 468 C GLN A 33 20.961 -7.945 -14.113 1.00 0.00 C ATOM 469 O GLN A 33 22.019 -7.491 -14.553 1.00 0.00 O ATOM 470 CB GLN A 33 21.199 -10.315 -13.349 1.00 0.00 C ATOM 471 CG GLN A 33 22.639 -10.769 -13.172 1.00 0.00 C ATOM 472 CD GLN A 33 22.802 -11.762 -12.038 1.00 0.00 C ATOM 473 OE1 GLN A 33 23.594 -11.549 -11.120 1.00 0.00 O ATOM 474 NE2 GLN A 33 22.052 -12.856 -12.097 1.00 0.00 N ATOM 0 H GLN A 33 19.099 -9.606 -12.251 1.00 0.00 H new ATOM 0 HA GLN A 33 21.751 -8.567 -12.228 1.00 0.00 H new ATOM 0 HB2 GLN A 33 20.545 -10.979 -12.783 1.00 0.00 H new ATOM 0 HB3 GLN A 33 20.922 -10.414 -14.399 1.00 0.00 H new ATOM 0 HG2 GLN A 33 22.990 -11.221 -14.099 1.00 0.00 H new ATOM 0 HG3 GLN A 33 23.269 -9.900 -12.983 1.00 0.00 H new ATOM 0 HE21 GLN A 33 21.409 -12.992 -12.877 1.00 0.00 H new ATOM 0 HE22 GLN A 33 22.119 -13.561 -11.363 1.00 0.00 H new ATOM 483 N LEU A 34 19.778 -7.667 -14.649 1.00 0.00 N ATOM 484 CA LEU A 34 19.649 -6.793 -15.809 1.00 0.00 C ATOM 485 C LEU A 34 19.863 -5.334 -15.418 1.00 0.00 C ATOM 486 O LEU A 34 20.200 -5.030 -14.274 1.00 0.00 O ATOM 487 CB LEU A 34 18.272 -6.964 -16.452 1.00 0.00 C ATOM 488 CG LEU A 34 17.922 -8.376 -16.923 1.00 0.00 C ATOM 489 CD1 LEU A 34 16.417 -8.530 -17.076 1.00 0.00 C ATOM 490 CD2 LEU A 34 18.628 -8.691 -18.233 1.00 0.00 C ATOM 0 H LEU A 34 18.894 -8.035 -14.298 1.00 0.00 H new ATOM 0 HA LEU A 34 20.417 -7.073 -16.530 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.516 -6.644 -15.735 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.206 -6.291 -17.307 1.00 0.00 H new ATOM 0 HG LEU A 34 18.264 -9.085 -16.169 1.00 0.00 H new ATOM 0 HD11 LEU A 34 16.187 -9.541 -17.412 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.933 -8.347 -16.116 1.00 0.00 H new ATOM 0 HD13 LEU A 34 16.050 -7.812 -17.810 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.367 -9.700 -18.553 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.317 -7.977 -18.995 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.707 -8.623 -18.091 1.00 0.00 H new ATOM 502 N ARG A 35 19.662 -4.434 -16.376 1.00 0.00 N ATOM 503 CA ARG A 35 19.831 -3.007 -16.132 1.00 0.00 C ATOM 504 C ARG A 35 18.666 -2.453 -15.317 1.00 0.00 C ATOM 505 O ARG A 35 17.506 -2.576 -15.709 1.00 0.00 O ATOM 506 CB ARG A 35 19.946 -2.251 -17.457 1.00 0.00 C ATOM 507 CG ARG A 35 20.743 -0.961 -17.355 1.00 0.00 C ATOM 508 CD ARG A 35 21.527 -0.688 -18.629 1.00 0.00 C ATOM 509 NE ARG A 35 22.654 0.211 -18.397 1.00 0.00 N ATOM 510 CZ ARG A 35 23.436 0.674 -19.366 1.00 0.00 C ATOM 511 NH1 ARG A 35 23.214 0.325 -20.625 1.00 0.00 N ATOM 512 NH2 ARG A 35 24.442 1.489 -19.075 1.00 0.00 N ATOM 0 H ARG A 35 19.382 -4.669 -17.328 1.00 0.00 H new ATOM 0 HA ARG A 35 20.749 -2.868 -15.562 1.00 0.00 H new ATOM 0 HB2 ARG A 35 20.415 -2.900 -18.196 1.00 0.00 H new ATOM 0 HB3 ARG A 35 18.945 -2.022 -17.823 1.00 0.00 H new ATOM 0 HG2 ARG A 35 20.067 -0.129 -17.157 1.00 0.00 H new ATOM 0 HG3 ARG A 35 21.429 -1.022 -16.510 1.00 0.00 H new ATOM 0 HD2 ARG A 35 21.893 -1.630 -19.038 1.00 0.00 H new ATOM 0 HD3 ARG A 35 20.864 -0.252 -19.376 1.00 0.00 H new ATOM 0 HE ARG A 35 22.852 0.499 -17.439 1.00 0.00 H new ATOM 0 HH11 ARG A 35 22.441 -0.301 -20.852 1.00 0.00 H new ATOM 0 HH12 ARG A 35 23.816 0.682 -21.367 1.00 0.00 H new ATOM 0 HH21 ARG A 35 24.615 1.760 -18.107 1.00 0.00 H new ATOM 0 HH22 ARG A 35 25.042 1.844 -19.819 1.00 0.00 H new ATOM 526 N LYS A 36 18.984 -1.843 -14.180 1.00 0.00 N ATOM 527 CA LYS A 36 17.965 -1.269 -13.309 1.00 0.00 C ATOM 528 C LYS A 36 17.610 0.148 -13.747 1.00 0.00 C ATOM 529 O LYS A 36 18.336 1.099 -13.452 1.00 0.00 O ATOM 530 CB LYS A 36 18.452 -1.259 -11.858 1.00 0.00 C ATOM 531 CG LYS A 36 18.164 -2.550 -11.111 1.00 0.00 C ATOM 532 CD LYS A 36 18.871 -3.733 -11.750 1.00 0.00 C ATOM 533 CE LYS A 36 20.383 -3.567 -11.711 1.00 0.00 C ATOM 534 NZ LYS A 36 20.885 -3.384 -10.321 1.00 0.00 N ATOM 0 H LYS A 36 19.939 -1.733 -13.840 1.00 0.00 H new ATOM 0 HA LYS A 36 17.070 -1.887 -13.381 1.00 0.00 H new ATOM 0 HB2 LYS A 36 19.526 -1.074 -11.845 1.00 0.00 H new ATOM 0 HB3 LYS A 36 17.979 -0.431 -11.331 1.00 0.00 H new ATOM 0 HG2 LYS A 36 18.484 -2.451 -10.074 1.00 0.00 H new ATOM 0 HG3 LYS A 36 17.089 -2.731 -11.097 1.00 0.00 H new ATOM 0 HD2 LYS A 36 18.591 -4.649 -11.230 1.00 0.00 H new ATOM 0 HD3 LYS A 36 18.542 -3.840 -12.784 1.00 0.00 H new ATOM 0 HE2 LYS A 36 20.856 -4.443 -12.156 1.00 0.00 H new ATOM 0 HE3 LYS A 36 20.670 -2.707 -12.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 21.763 -3.928 -10.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 21.075 -2.376 -10.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 20.169 -3.721 -9.646 1.00 0.00 H new ATOM 782 N VAL A 51 11.517 -0.770 -13.351 1.00 0.00 N ATOM 783 CA VAL A 51 11.135 -1.162 -14.703 1.00 0.00 C ATOM 784 C VAL A 51 12.343 -1.645 -15.497 1.00 0.00 C ATOM 785 O VAL A 51 13.468 -1.200 -15.268 1.00 0.00 O ATOM 786 CB VAL A 51 10.470 0.004 -15.459 1.00 0.00 C ATOM 787 CG1 VAL A 51 9.163 0.399 -14.788 1.00 0.00 C ATOM 788 CG2 VAL A 51 11.416 1.192 -15.543 1.00 0.00 C ATOM 0 HA VAL A 51 10.418 -1.977 -14.605 1.00 0.00 H new ATOM 0 HB VAL A 51 10.245 -0.325 -16.474 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.708 1.224 -15.336 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.484 -0.453 -14.785 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.360 0.710 -13.762 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.930 2.007 -16.080 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.674 1.523 -14.537 1.00 0.00 H new ATOM 0 HG23 VAL A 51 12.323 0.898 -16.072 1.00 0.00 H new ATOM 798 N TYR A 52 12.103 -2.558 -16.431 1.00 0.00 N ATOM 799 CA TYR A 52 13.172 -3.104 -17.259 1.00 0.00 C ATOM 800 C TYR A 52 12.862 -2.919 -18.741 1.00 0.00 C ATOM 801 O TYR A 52 11.776 -2.470 -19.109 1.00 0.00 O ATOM 802 CB TYR A 52 13.378 -4.588 -16.951 1.00 0.00 C ATOM 803 CG TYR A 52 13.670 -4.869 -15.494 1.00 0.00 C ATOM 804 CD1 TYR A 52 14.860 -4.451 -14.911 1.00 0.00 C ATOM 805 CD2 TYR A 52 12.758 -5.554 -14.701 1.00 0.00 C ATOM 806 CE1 TYR A 52 15.133 -4.706 -13.581 1.00 0.00 C ATOM 807 CE2 TYR A 52 13.021 -5.812 -13.370 1.00 0.00 C ATOM 808 CZ TYR A 52 14.210 -5.386 -12.814 1.00 0.00 C ATOM 809 OH TYR A 52 14.477 -5.643 -11.489 1.00 0.00 O ATOM 0 H TYR A 52 11.178 -2.936 -16.634 1.00 0.00 H new ATOM 0 HA TYR A 52 14.089 -2.561 -17.028 1.00 0.00 H new ATOM 0 HB2 TYR A 52 12.485 -5.139 -17.247 1.00 0.00 H new ATOM 0 HB3 TYR A 52 14.201 -4.965 -17.557 1.00 0.00 H new ATOM 0 HD1 TYR A 52 15.584 -3.917 -15.508 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.827 -5.891 -15.133 1.00 0.00 H new ATOM 0 HE1 TYR A 52 16.064 -4.375 -13.144 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.300 -6.344 -12.767 1.00 0.00 H new ATOM 0 HH TYR A 52 13.724 -6.129 -11.092 1.00 0.00 H new ATOM 819 N LEU A 53 13.823 -3.270 -19.588 1.00 0.00 N ATOM 820 CA LEU A 53 13.655 -3.144 -21.032 1.00 0.00 C ATOM 821 C LEU A 53 13.042 -4.411 -21.621 1.00 0.00 C ATOM 822 O LEU A 53 13.512 -5.518 -21.360 1.00 0.00 O ATOM 823 CB LEU A 53 15.001 -2.856 -21.699 1.00 0.00 C ATOM 824 CG LEU A 53 15.102 -1.537 -22.466 1.00 0.00 C ATOM 825 CD1 LEU A 53 14.139 -1.529 -23.643 1.00 0.00 C ATOM 826 CD2 LEU A 53 14.826 -0.360 -21.541 1.00 0.00 C ATOM 0 H LEU A 53 14.727 -3.644 -19.300 1.00 0.00 H new ATOM 0 HA LEU A 53 12.977 -2.312 -21.223 1.00 0.00 H new ATOM 0 HB2 LEU A 53 15.774 -2.866 -20.931 1.00 0.00 H new ATOM 0 HB3 LEU A 53 15.225 -3.671 -22.387 1.00 0.00 H new ATOM 0 HG LEU A 53 16.117 -1.440 -22.852 1.00 0.00 H new ATOM 0 HD11 LEU A 53 14.225 -0.583 -24.177 1.00 0.00 H new ATOM 0 HD12 LEU A 53 14.382 -2.350 -24.318 1.00 0.00 H new ATOM 0 HD13 LEU A 53 13.119 -1.649 -23.279 1.00 0.00 H new ATOM 0 HD21 LEU A 53 14.902 0.571 -22.104 1.00 0.00 H new ATOM 0 HD22 LEU A 53 13.823 -0.452 -21.125 1.00 0.00 H new ATOM 0 HD23 LEU A 53 15.555 -0.355 -20.731 1.00 0.00 H new ATOM 838 N ARG A 54 11.992 -4.239 -22.417 1.00 0.00 N ATOM 839 CA ARG A 54 11.316 -5.368 -23.044 1.00 0.00 C ATOM 840 C ARG A 54 12.283 -6.166 -23.914 1.00 0.00 C ATOM 841 O ARG A 54 12.118 -7.372 -24.099 1.00 0.00 O ATOM 842 CB ARG A 54 10.138 -4.880 -23.889 1.00 0.00 C ATOM 843 CG ARG A 54 8.820 -5.554 -23.543 1.00 0.00 C ATOM 844 CD ARG A 54 7.896 -5.621 -24.749 1.00 0.00 C ATOM 845 NE ARG A 54 7.660 -6.995 -25.183 1.00 0.00 N ATOM 846 CZ ARG A 54 6.788 -7.810 -24.600 1.00 0.00 C ATOM 847 NH1 ARG A 54 6.073 -7.391 -23.565 1.00 0.00 N ATOM 848 NH2 ARG A 54 6.630 -9.048 -25.052 1.00 0.00 N ATOM 0 H ARG A 54 11.591 -3.329 -22.643 1.00 0.00 H new ATOM 0 HA ARG A 54 10.942 -6.019 -22.254 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.031 -3.803 -23.760 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.360 -5.054 -24.942 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.011 -6.561 -23.173 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.330 -5.006 -22.738 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.944 -5.150 -24.503 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.330 -5.051 -25.570 1.00 0.00 H new ATOM 0 HE ARG A 54 8.194 -7.348 -25.977 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.192 -6.441 -23.214 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.404 -8.019 -23.119 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.178 -9.374 -25.848 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.960 -9.673 -24.604 1.00 0.00 H new ATOM 862 N SER A 55 13.292 -5.484 -24.446 1.00 0.00 N ATOM 863 CA SER A 55 14.284 -6.128 -25.301 1.00 0.00 C ATOM 864 C SER A 55 15.228 -6.998 -24.477 1.00 0.00 C ATOM 865 O SER A 55 15.724 -8.019 -24.953 1.00 0.00 O ATOM 866 CB SER A 55 15.083 -5.076 -26.072 1.00 0.00 C ATOM 867 OG SER A 55 15.519 -5.582 -27.322 1.00 0.00 O ATOM 0 H SER A 55 13.445 -4.486 -24.301 1.00 0.00 H new ATOM 0 HA SER A 55 13.757 -6.766 -26.011 1.00 0.00 H new ATOM 0 HB2 SER A 55 14.467 -4.190 -26.229 1.00 0.00 H new ATOM 0 HB3 SER A 55 15.945 -4.764 -25.482 1.00 0.00 H new ATOM 0 HG SER A 55 16.026 -4.890 -27.796 1.00 0.00 H new ATOM 873 N ASP A 56 15.472 -6.585 -23.238 1.00 0.00 N ATOM 874 CA ASP A 56 16.356 -7.326 -22.345 1.00 0.00 C ATOM 875 C ASP A 56 15.646 -8.547 -21.768 1.00 0.00 C ATOM 876 O ASP A 56 16.174 -9.659 -21.801 1.00 0.00 O ATOM 877 CB ASP A 56 16.846 -6.423 -21.213 1.00 0.00 C ATOM 878 CG ASP A 56 18.001 -5.537 -21.638 1.00 0.00 C ATOM 879 OD1 ASP A 56 17.754 -4.543 -22.353 1.00 0.00 O ATOM 880 OD2 ASP A 56 19.151 -5.837 -21.255 1.00 0.00 O ATOM 0 H ASP A 56 15.070 -5.741 -22.829 1.00 0.00 H new ATOM 0 HA ASP A 56 17.214 -7.667 -22.924 1.00 0.00 H new ATOM 0 HB2 ASP A 56 16.022 -5.799 -20.867 1.00 0.00 H new ATOM 0 HB3 ASP A 56 17.156 -7.039 -20.369 1.00 0.00 H new ATOM 885 N VAL A 57 14.446 -8.332 -21.238 1.00 0.00 N ATOM 886 CA VAL A 57 13.664 -9.414 -20.653 1.00 0.00 C ATOM 887 C VAL A 57 13.393 -10.511 -21.676 1.00 0.00 C ATOM 888 O VAL A 57 13.300 -11.688 -21.328 1.00 0.00 O ATOM 889 CB VAL A 57 12.322 -8.900 -20.099 1.00 0.00 C ATOM 890 CG1 VAL A 57 11.553 -10.029 -19.428 1.00 0.00 C ATOM 891 CG2 VAL A 57 12.551 -7.751 -19.129 1.00 0.00 C ATOM 0 H VAL A 57 13.994 -7.418 -21.202 1.00 0.00 H new ATOM 0 HA VAL A 57 14.254 -9.824 -19.833 1.00 0.00 H new ATOM 0 HB VAL A 57 11.724 -8.529 -20.931 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.608 -9.647 -19.043 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.356 -10.817 -20.155 1.00 0.00 H new ATOM 0 HG13 VAL A 57 12.143 -10.433 -18.605 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.592 -7.400 -18.747 1.00 0.00 H new ATOM 0 HG22 VAL A 57 13.169 -8.093 -18.299 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.057 -6.935 -19.645 1.00 0.00 H new ATOM 901 N GLU A 58 13.267 -10.117 -22.939 1.00 0.00 N ATOM 902 CA GLU A 58 13.006 -11.068 -24.013 1.00 0.00 C ATOM 903 C GLU A 58 14.086 -12.145 -24.061 1.00 0.00 C ATOM 904 O GLU A 58 13.803 -13.331 -23.896 1.00 0.00 O ATOM 905 CB GLU A 58 12.933 -10.344 -25.359 1.00 0.00 C ATOM 906 CG GLU A 58 12.319 -11.182 -26.468 1.00 0.00 C ATOM 907 CD GLU A 58 11.820 -10.341 -27.627 1.00 0.00 C ATOM 908 OE1 GLU A 58 12.647 -9.959 -28.481 1.00 0.00 O ATOM 909 OE2 GLU A 58 10.603 -10.065 -27.679 1.00 0.00 O ATOM 0 H GLU A 58 13.341 -9.146 -23.244 1.00 0.00 H new ATOM 0 HA GLU A 58 12.048 -11.547 -23.814 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.350 -9.431 -25.240 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.938 -10.044 -25.656 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.060 -11.894 -26.833 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.491 -11.763 -26.063 1.00 0.00 H new ATOM 916 N ALA A 59 15.326 -11.722 -24.287 1.00 0.00 N ATOM 917 CA ALA A 59 16.449 -12.648 -24.355 1.00 0.00 C ATOM 918 C ALA A 59 16.608 -13.415 -23.047 1.00 0.00 C ATOM 919 O ALA A 59 16.946 -14.599 -23.046 1.00 0.00 O ATOM 920 CB ALA A 59 17.731 -11.900 -24.691 1.00 0.00 C ATOM 0 H ALA A 59 15.578 -10.743 -24.426 1.00 0.00 H new ATOM 0 HA ALA A 59 16.245 -13.370 -25.146 1.00 0.00 H new ATOM 0 HB1 ALA A 59 18.561 -12.604 -24.738 1.00 0.00 H new ATOM 0 HB2 ALA A 59 17.621 -11.404 -25.655 1.00 0.00 H new ATOM 0 HB3 ALA A 59 17.930 -11.155 -23.920 1.00 0.00 H new ATOM 926 N LYS A 60 16.364 -12.732 -21.933 1.00 0.00 N ATOM 927 CA LYS A 60 16.480 -13.348 -20.617 1.00 0.00 C ATOM 928 C LYS A 60 15.582 -14.576 -20.510 1.00 0.00 C ATOM 929 O LYS A 60 15.857 -15.493 -19.736 1.00 0.00 O ATOM 930 CB LYS A 60 16.116 -12.340 -19.525 1.00 0.00 C ATOM 931 CG LYS A 60 16.185 -12.912 -18.120 1.00 0.00 C ATOM 932 CD LYS A 60 17.574 -13.440 -17.801 1.00 0.00 C ATOM 933 CE LYS A 60 18.613 -12.330 -17.834 1.00 0.00 C ATOM 934 NZ LYS A 60 19.304 -12.255 -19.151 1.00 0.00 N ATOM 0 H LYS A 60 16.085 -11.751 -21.916 1.00 0.00 H new ATOM 0 HA LYS A 60 17.515 -13.663 -20.481 1.00 0.00 H new ATOM 0 HB2 LYS A 60 16.788 -11.485 -19.593 1.00 0.00 H new ATOM 0 HB3 LYS A 60 15.108 -11.968 -19.707 1.00 0.00 H new ATOM 0 HG2 LYS A 60 15.913 -12.141 -17.399 1.00 0.00 H new ATOM 0 HG3 LYS A 60 15.456 -13.716 -18.017 1.00 0.00 H new ATOM 0 HD2 LYS A 60 17.570 -13.907 -16.816 1.00 0.00 H new ATOM 0 HD3 LYS A 60 17.844 -14.214 -18.519 1.00 0.00 H new ATOM 0 HE2 LYS A 60 18.131 -11.375 -17.622 1.00 0.00 H new ATOM 0 HE3 LYS A 60 19.348 -12.498 -17.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 20.278 -11.917 -19.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 19.324 -13.199 -19.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 18.794 -11.597 -19.774 1.00 0.00 H new ATOM 948 N SER A 61 14.507 -14.588 -21.292 1.00 0.00 N ATOM 949 CA SER A 61 13.567 -15.702 -21.283 1.00 0.00 C ATOM 950 C SER A 61 14.055 -16.832 -22.185 1.00 0.00 C ATOM 951 O SER A 61 13.718 -17.998 -21.977 1.00 0.00 O ATOM 952 CB SER A 61 12.183 -15.234 -21.738 1.00 0.00 C ATOM 953 OG SER A 61 11.559 -16.207 -22.557 1.00 0.00 O ATOM 0 H SER A 61 14.266 -13.838 -21.940 1.00 0.00 H new ATOM 0 HA SER A 61 13.498 -16.078 -20.262 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.559 -15.033 -20.867 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.275 -14.297 -22.287 1.00 0.00 H new ATOM 0 HG SER A 61 10.849 -15.784 -23.084 1.00 0.00 H new ATOM 959 N LEU A 62 14.851 -16.478 -23.188 1.00 0.00 N ATOM 960 CA LEU A 62 15.387 -17.461 -24.123 1.00 0.00 C ATOM 961 C LEU A 62 16.586 -18.188 -23.522 1.00 0.00 C ATOM 962 O LEU A 62 16.796 -19.373 -23.776 1.00 0.00 O ATOM 963 CB LEU A 62 15.793 -16.780 -25.432 1.00 0.00 C ATOM 964 CG LEU A 62 14.783 -15.792 -26.016 1.00 0.00 C ATOM 965 CD1 LEU A 62 15.266 -15.266 -27.358 1.00 0.00 C ATOM 966 CD2 LEU A 62 13.417 -16.447 -26.158 1.00 0.00 C ATOM 0 H LEU A 62 15.139 -15.518 -23.375 1.00 0.00 H new ATOM 0 HA LEU A 62 14.607 -18.194 -24.328 1.00 0.00 H new ATOM 0 HB2 LEU A 62 16.733 -16.253 -25.268 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.986 -17.553 -26.176 1.00 0.00 H new ATOM 0 HG LEU A 62 14.690 -14.949 -25.331 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.534 -14.564 -27.758 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.222 -14.759 -27.227 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.389 -16.098 -28.052 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.711 -15.729 -26.575 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.494 -17.308 -26.822 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.067 -16.774 -25.179 1.00 0.00 H new ATOM 978 N GLU A 63 17.367 -17.469 -22.722 1.00 0.00 N ATOM 979 CA GLU A 63 18.543 -18.047 -22.083 1.00 0.00 C ATOM 980 C GLU A 63 18.142 -18.969 -20.936 1.00 0.00 C ATOM 981 O GLU A 63 18.881 -19.884 -20.571 1.00 0.00 O ATOM 982 CB GLU A 63 19.465 -16.941 -21.564 1.00 0.00 C ATOM 983 CG GLU A 63 18.945 -16.253 -20.313 1.00 0.00 C ATOM 984 CD GLU A 63 19.646 -16.725 -19.054 1.00 0.00 C ATOM 985 OE1 GLU A 63 19.910 -17.941 -18.943 1.00 0.00 O ATOM 986 OE2 GLU A 63 19.931 -15.880 -18.180 1.00 0.00 O ATOM 0 H GLU A 63 17.207 -16.486 -22.501 1.00 0.00 H new ATOM 0 HA GLU A 63 19.077 -18.635 -22.829 1.00 0.00 H new ATOM 0 HB2 GLU A 63 20.446 -17.366 -21.353 1.00 0.00 H new ATOM 0 HB3 GLU A 63 19.602 -16.196 -22.348 1.00 0.00 H new ATOM 0 HG2 GLU A 63 19.075 -15.176 -20.415 1.00 0.00 H new ATOM 0 HG3 GLU A 63 17.875 -16.437 -20.220 1.00 0.00 H new ATOM 993 N VAL A 64 16.965 -18.721 -20.369 1.00 0.00 N ATOM 994 CA VAL A 64 16.464 -19.529 -19.263 1.00 0.00 C ATOM 995 C VAL A 64 15.652 -20.715 -19.773 1.00 0.00 C ATOM 996 O VAL A 64 16.106 -21.858 -19.720 1.00 0.00 O ATOM 997 CB VAL A 64 15.588 -18.694 -18.310 1.00 0.00 C ATOM 998 CG1 VAL A 64 15.030 -19.565 -17.196 1.00 0.00 C ATOM 999 CG2 VAL A 64 16.384 -17.529 -17.740 1.00 0.00 C ATOM 0 H VAL A 64 16.341 -17.967 -20.657 1.00 0.00 H new ATOM 0 HA VAL A 64 17.334 -19.895 -18.718 1.00 0.00 H new ATOM 0 HB VAL A 64 14.749 -18.289 -18.876 1.00 0.00 H new ATOM 0 HG11 VAL A 64 14.414 -18.957 -16.533 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.423 -20.362 -17.626 1.00 0.00 H new ATOM 0 HG13 VAL A 64 15.852 -20.001 -16.629 1.00 0.00 H new ATOM 0 HG21 VAL A 64 15.750 -16.949 -17.069 1.00 0.00 H new ATOM 0 HG22 VAL A 64 17.243 -17.911 -17.189 1.00 0.00 H new ATOM 0 HG23 VAL A 64 16.729 -16.891 -18.554 1.00 0.00 H new ATOM 1009 N TRP A 65 14.451 -20.435 -20.266 1.00 0.00 N ATOM 1010 CA TRP A 65 13.576 -21.479 -20.786 1.00 0.00 C ATOM 1011 C TRP A 65 14.228 -22.201 -21.960 1.00 0.00 C ATOM 1012 O TRP A 65 13.920 -23.359 -22.237 1.00 0.00 O ATOM 1013 CB TRP A 65 12.236 -20.882 -21.218 1.00 0.00 C ATOM 1014 CG TRP A 65 11.288 -20.661 -20.078 1.00 0.00 C ATOM 1015 CD1 TRP A 65 11.117 -19.509 -19.366 1.00 0.00 C ATOM 1016 CD2 TRP A 65 10.384 -21.619 -19.519 1.00 0.00 C ATOM 1017 NE1 TRP A 65 10.161 -19.693 -18.397 1.00 0.00 N ATOM 1018 CE2 TRP A 65 9.694 -20.979 -18.470 1.00 0.00 C ATOM 1019 CE3 TRP A 65 10.087 -22.955 -19.802 1.00 0.00 C ATOM 1020 CZ2 TRP A 65 8.729 -21.630 -17.707 1.00 0.00 C ATOM 1021 CZ3 TRP A 65 9.129 -23.600 -19.043 1.00 0.00 C ATOM 1022 CH2 TRP A 65 8.459 -22.938 -18.006 1.00 0.00 C ATOM 0 H TRP A 65 14.061 -19.494 -20.317 1.00 0.00 H new ATOM 0 HA TRP A 65 13.403 -22.203 -19.990 1.00 0.00 H new ATOM 0 HB2 TRP A 65 12.415 -19.932 -21.721 1.00 0.00 H new ATOM 0 HB3 TRP A 65 11.769 -21.545 -21.946 1.00 0.00 H new ATOM 0 HD1 TRP A 65 11.654 -18.588 -19.539 1.00 0.00 H new ATOM 0 HE1 TRP A 65 9.849 -18.986 -17.731 1.00 0.00 H new ATOM 0 HE3 TRP A 65 10.597 -23.474 -20.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 8.212 -21.121 -16.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 8.893 -24.633 -19.253 1.00 0.00 H new ATOM 0 HH2 TRP A 65 7.715 -23.470 -17.431 1.00 0.00 H new ATOM 1033 N GLY A 66 15.131 -21.508 -22.648 1.00 0.00 N ATOM 1034 CA GLY A 66 15.812 -22.100 -23.785 1.00 0.00 C ATOM 1035 C GLY A 66 15.360 -21.507 -25.104 1.00 0.00 C ATOM 1036 O GLY A 66 16.168 -21.301 -26.009 1.00 0.00 O ATOM 0 H GLY A 66 15.403 -20.548 -22.438 1.00 0.00 H new ATOM 0 HA2 GLY A 66 16.887 -21.957 -23.675 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.632 -23.175 -23.793 1.00 0.00 H new ATOM 1040 N SER A 67 14.064 -21.232 -25.215 1.00 0.00 N ATOM 1041 CA SER A 67 13.505 -20.664 -26.436 1.00 0.00 C ATOM 1042 C SER A 67 12.201 -19.927 -26.145 1.00 0.00 C ATOM 1043 O SER A 67 11.554 -20.139 -25.119 1.00 0.00 O ATOM 1044 CB SER A 67 13.261 -21.765 -27.471 1.00 0.00 C ATOM 1045 OG SER A 67 13.805 -23.000 -27.039 1.00 0.00 O ATOM 0 H SER A 67 13.382 -21.393 -24.474 1.00 0.00 H new ATOM 0 HA SER A 67 14.224 -19.950 -26.837 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.190 -21.876 -27.643 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.709 -21.480 -28.423 1.00 0.00 H new ATOM 0 HG SER A 67 13.635 -23.687 -27.717 1.00 0.00 H new ATOM 1051 N PRO A 68 11.805 -19.039 -27.069 1.00 0.00 N ATOM 1052 CA PRO A 68 10.575 -18.253 -26.935 1.00 0.00 C ATOM 1053 C PRO A 68 9.321 -19.108 -27.078 1.00 0.00 C ATOM 1054 O PRO A 68 8.232 -18.699 -26.679 1.00 0.00 O ATOM 1055 CB PRO A 68 10.671 -17.247 -28.086 1.00 0.00 C ATOM 1056 CG PRO A 68 11.542 -17.909 -29.096 1.00 0.00 C ATOM 1057 CD PRO A 68 12.527 -18.736 -28.316 1.00 0.00 C ATOM 0 HA PRO A 68 10.492 -17.791 -25.951 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.687 -17.022 -28.498 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.100 -16.302 -27.751 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.954 -18.534 -29.769 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.054 -17.171 -29.713 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.802 -19.644 -28.852 1.00 0.00 H new ATOM 0 HD3 PRO A 68 13.449 -18.187 -28.124 1.00 0.00 H new ATOM 1065 N GLU A 69 9.484 -20.297 -27.650 1.00 0.00 N ATOM 1066 CA GLU A 69 8.363 -21.210 -27.845 1.00 0.00 C ATOM 1067 C GLU A 69 7.945 -21.849 -26.524 1.00 0.00 C ATOM 1068 O GLU A 69 6.766 -22.119 -26.298 1.00 0.00 O ATOM 1069 CB GLU A 69 8.732 -22.297 -28.856 1.00 0.00 C ATOM 1070 CG GLU A 69 8.636 -21.841 -30.303 1.00 0.00 C ATOM 1071 CD GLU A 69 9.864 -22.208 -31.113 1.00 0.00 C ATOM 1072 OE1 GLU A 69 10.066 -23.414 -31.369 1.00 0.00 O ATOM 1073 OE2 GLU A 69 10.623 -21.292 -31.490 1.00 0.00 O ATOM 0 H GLU A 69 10.380 -20.650 -27.986 1.00 0.00 H new ATOM 0 HA GLU A 69 7.522 -20.634 -28.232 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.749 -22.636 -28.657 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.076 -23.155 -28.710 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.755 -22.288 -30.763 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.497 -20.760 -30.331 1.00 0.00 H new ATOM 1080 N ALA A 70 8.922 -22.089 -25.655 1.00 0.00 N ATOM 1081 CA ALA A 70 8.656 -22.695 -24.356 1.00 0.00 C ATOM 1082 C ALA A 70 7.799 -21.780 -23.488 1.00 0.00 C ATOM 1083 O ALA A 70 6.866 -22.233 -22.823 1.00 0.00 O ATOM 1084 CB ALA A 70 9.963 -23.023 -23.650 1.00 0.00 C ATOM 0 H ALA A 70 9.904 -21.873 -25.827 1.00 0.00 H new ATOM 0 HA ALA A 70 8.102 -23.619 -24.520 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.750 -23.475 -22.681 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.539 -23.721 -24.257 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.538 -22.108 -23.505 1.00 0.00 H new ATOM 1090 N LEU A 71 8.121 -20.491 -23.498 1.00 0.00 N ATOM 1091 CA LEU A 71 7.380 -19.512 -22.711 1.00 0.00 C ATOM 1092 C LEU A 71 6.006 -19.250 -23.320 1.00 0.00 C ATOM 1093 O LEU A 71 5.019 -19.088 -22.603 1.00 0.00 O ATOM 1094 CB LEU A 71 8.166 -18.203 -22.618 1.00 0.00 C ATOM 1095 CG LEU A 71 7.402 -16.999 -22.065 1.00 0.00 C ATOM 1096 CD1 LEU A 71 6.986 -17.246 -20.624 1.00 0.00 C ATOM 1097 CD2 LEU A 71 8.248 -15.738 -22.169 1.00 0.00 C ATOM 0 H LEU A 71 8.890 -20.100 -24.042 1.00 0.00 H new ATOM 0 HA LEU A 71 7.242 -19.918 -21.709 1.00 0.00 H new ATOM 0 HB2 LEU A 71 9.041 -18.372 -21.991 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.531 -17.950 -23.613 1.00 0.00 H new ATOM 0 HG LEU A 71 6.501 -16.859 -22.662 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.444 -16.378 -20.248 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.343 -18.125 -20.577 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.873 -17.412 -20.013 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.689 -14.891 -21.771 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.166 -15.868 -21.597 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.495 -15.551 -23.214 1.00 0.00 H new ATOM 1109 N ALA A 72 5.950 -19.214 -24.647 1.00 0.00 N ATOM 1110 CA ALA A 72 4.696 -18.977 -25.352 1.00 0.00 C ATOM 1111 C ALA A 72 3.636 -19.995 -24.945 1.00 0.00 C ATOM 1112 O ALA A 72 2.438 -19.723 -25.027 1.00 0.00 O ATOM 1113 CB ALA A 72 4.921 -19.019 -26.857 1.00 0.00 C ATOM 0 H ALA A 72 6.758 -19.346 -25.256 1.00 0.00 H new ATOM 0 HA ALA A 72 4.335 -17.986 -25.077 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.977 -18.841 -27.371 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.639 -18.249 -27.139 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.309 -19.998 -27.140 1.00 0.00 H new ATOM 1119 N ARG A 73 4.085 -21.167 -24.508 1.00 0.00 N ATOM 1120 CA ARG A 73 3.175 -22.226 -24.090 1.00 0.00 C ATOM 1121 C ARG A 73 2.323 -21.775 -22.907 1.00 0.00 C ATOM 1122 O ARG A 73 1.175 -22.195 -22.761 1.00 0.00 O ATOM 1123 CB ARG A 73 3.959 -23.484 -23.717 1.00 0.00 C ATOM 1124 CG ARG A 73 4.883 -23.976 -24.819 1.00 0.00 C ATOM 1125 CD ARG A 73 4.504 -25.374 -25.282 1.00 0.00 C ATOM 1126 NE ARG A 73 5.269 -26.406 -24.587 1.00 0.00 N ATOM 1127 CZ ARG A 73 6.534 -26.697 -24.868 1.00 0.00 C ATOM 1128 NH1 ARG A 73 7.174 -26.037 -25.824 1.00 0.00 N ATOM 1129 NH2 ARG A 73 7.163 -27.650 -24.192 1.00 0.00 N ATOM 0 H ARG A 73 5.074 -21.407 -24.434 1.00 0.00 H new ATOM 0 HA ARG A 73 2.514 -22.453 -24.926 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.549 -23.282 -22.823 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.256 -24.278 -23.463 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.842 -23.288 -25.664 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.912 -23.977 -24.459 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.439 -25.536 -25.113 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.673 -25.459 -26.356 1.00 0.00 H new ATOM 0 HE ARG A 73 4.807 -26.932 -23.845 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.695 -25.303 -26.346 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.146 -26.263 -26.037 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.675 -28.160 -23.456 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.135 -27.873 -24.409 1.00 0.00 H new ATOM 1143 N GLU A 74 2.893 -20.918 -22.066 1.00 0.00 N ATOM 1144 CA GLU A 74 2.186 -20.412 -20.896 1.00 0.00 C ATOM 1145 C GLU A 74 1.484 -19.094 -21.212 1.00 0.00 C ATOM 1146 O GLU A 74 0.436 -18.784 -20.645 1.00 0.00 O ATOM 1147 CB GLU A 74 3.157 -20.218 -19.729 1.00 0.00 C ATOM 1148 CG GLU A 74 3.238 -21.417 -18.799 1.00 0.00 C ATOM 1149 CD GLU A 74 3.523 -22.710 -19.537 1.00 0.00 C ATOM 1150 OE1 GLU A 74 2.558 -23.358 -19.993 1.00 0.00 O ATOM 1151 OE2 GLU A 74 4.711 -23.074 -19.660 1.00 0.00 O ATOM 0 H GLU A 74 3.842 -20.560 -22.173 1.00 0.00 H new ATOM 0 HA GLU A 74 1.432 -21.147 -20.614 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.151 -20.008 -20.125 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.852 -19.343 -19.155 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.020 -21.246 -18.059 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.299 -21.513 -18.254 1.00 0.00 H new ATOM 1158 N LYS A 75 2.069 -18.322 -22.121 1.00 0.00 N ATOM 1159 CA LYS A 75 1.502 -17.038 -22.515 1.00 0.00 C ATOM 1160 C LYS A 75 0.152 -17.227 -23.200 1.00 0.00 C ATOM 1161 O LYS A 75 -0.766 -16.427 -23.017 1.00 0.00 O ATOM 1162 CB LYS A 75 2.461 -16.299 -23.450 1.00 0.00 C ATOM 1163 CG LYS A 75 3.854 -16.115 -22.871 1.00 0.00 C ATOM 1164 CD LYS A 75 4.418 -14.743 -23.200 1.00 0.00 C ATOM 1165 CE LYS A 75 4.274 -13.786 -22.028 1.00 0.00 C ATOM 1166 NZ LYS A 75 3.804 -12.441 -22.464 1.00 0.00 N ATOM 0 H LYS A 75 2.937 -18.564 -22.599 1.00 0.00 H new ATOM 0 HA LYS A 75 1.353 -16.443 -21.614 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.536 -16.849 -24.388 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.043 -15.321 -23.687 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.820 -16.245 -21.789 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.517 -16.886 -23.264 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.470 -14.836 -23.468 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.902 -14.335 -24.069 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.571 -14.200 -21.306 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.233 -13.688 -21.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.265 -11.995 -21.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.624 -11.847 -22.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.195 -12.541 -23.301 1.00 0.00 H new