USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=10 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= 0.107 USER MOD Single : A 22 ASN : amide:sc= -0.478 X(o=-0.48,f=-0.025) 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 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -164:sc= 0.0326 (180deg=0.00962) 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+ 147:sc= 0.0792 (180deg=0) USER MOD Single : A 61 SER OG : rot -160:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 168 N PHE A 14 8.768 0.150 -22.051 1.00 0.00 N ATOM 169 CA PHE A 14 9.237 -0.290 -20.742 1.00 0.00 C ATOM 170 C PHE A 14 8.219 -1.215 -20.082 1.00 0.00 C ATOM 171 O PHE A 14 7.024 -1.144 -20.367 1.00 0.00 O ATOM 172 CB PHE A 14 9.506 0.918 -19.841 1.00 0.00 C ATOM 173 CG PHE A 14 10.655 1.767 -20.304 1.00 0.00 C ATOM 174 CD1 PHE A 14 10.536 2.563 -21.431 1.00 0.00 C ATOM 175 CD2 PHE A 14 11.855 1.769 -19.610 1.00 0.00 C ATOM 176 CE1 PHE A 14 11.592 3.345 -21.859 1.00 0.00 C ATOM 177 CE2 PHE A 14 12.915 2.549 -20.033 1.00 0.00 C ATOM 178 CZ PHE A 14 12.782 3.339 -21.159 1.00 0.00 C ATOM 0 HA PHE A 14 10.165 -0.843 -20.883 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.607 1.532 -19.793 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.708 0.568 -18.829 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.607 2.573 -21.982 1.00 0.00 H new ATOM 0 HD2 PHE A 14 11.963 1.154 -18.729 1.00 0.00 H new ATOM 0 HE1 PHE A 14 11.486 3.960 -22.740 1.00 0.00 H new ATOM 0 HE2 PHE A 14 13.845 2.541 -19.485 1.00 0.00 H new ATOM 0 HZ PHE A 14 13.608 3.951 -21.491 1.00 0.00 H new ATOM 188 N ILE A 15 8.703 -2.082 -19.198 1.00 0.00 N ATOM 189 CA ILE A 15 7.836 -3.021 -18.497 1.00 0.00 C ATOM 190 C ILE A 15 8.218 -3.127 -17.025 1.00 0.00 C ATOM 191 O ILE A 15 9.395 -3.050 -16.669 1.00 0.00 O ATOM 192 CB ILE A 15 7.892 -4.422 -19.133 1.00 0.00 C ATOM 193 CG1 ILE A 15 6.895 -5.358 -18.447 1.00 0.00 C ATOM 194 CG2 ILE A 15 9.302 -4.986 -19.047 1.00 0.00 C ATOM 195 CD1 ILE A 15 6.874 -6.753 -19.032 1.00 0.00 C ATOM 0 H ILE A 15 9.690 -2.153 -18.951 1.00 0.00 H new ATOM 0 HA ILE A 15 6.820 -2.635 -18.579 1.00 0.00 H new ATOM 0 HB ILE A 15 7.618 -4.339 -20.185 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.139 -5.421 -17.387 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.896 -4.928 -18.519 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.326 -5.977 -19.501 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.990 -4.328 -19.577 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.602 -5.058 -18.002 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.145 -7.361 -18.497 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.600 -6.702 -20.086 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.862 -7.203 -18.936 1.00 0.00 H new ATOM 207 N THR A 16 7.216 -3.308 -16.170 1.00 0.00 N ATOM 208 CA THR A 16 7.446 -3.427 -14.736 1.00 0.00 C ATOM 209 C THR A 16 8.235 -4.689 -14.408 1.00 0.00 C ATOM 210 O THR A 16 8.317 -5.610 -15.220 1.00 0.00 O ATOM 211 CB THR A 16 6.119 -3.447 -13.954 1.00 0.00 C ATOM 212 OG1 THR A 16 5.024 -3.191 -14.840 1.00 0.00 O ATOM 213 CG2 THR A 16 6.131 -2.409 -12.841 1.00 0.00 C ATOM 0 H THR A 16 6.237 -3.375 -16.447 1.00 0.00 H new ATOM 0 HA THR A 16 8.023 -2.553 -14.435 1.00 0.00 H new ATOM 0 HB THR A 16 6.001 -4.434 -13.507 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.184 -3.207 -14.335 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.184 -2.442 -12.303 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.948 -2.624 -12.152 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.270 -1.417 -13.270 1.00 0.00 H new ATOM 221 N GLY A 17 8.814 -4.726 -13.212 1.00 0.00 N ATOM 222 CA GLY A 17 9.589 -5.881 -12.798 1.00 0.00 C ATOM 223 C GLY A 17 8.721 -7.092 -12.521 1.00 0.00 C ATOM 224 O GLY A 17 8.794 -8.094 -13.233 1.00 0.00 O ATOM 0 H GLY A 17 8.760 -3.977 -12.522 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.313 -6.127 -13.575 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.156 -5.632 -11.901 1.00 0.00 H new ATOM 228 N VAL A 18 7.898 -7.003 -11.481 1.00 0.00 N ATOM 229 CA VAL A 18 7.012 -8.100 -11.111 1.00 0.00 C ATOM 230 C VAL A 18 6.174 -8.555 -12.300 1.00 0.00 C ATOM 231 O VAL A 18 5.783 -9.719 -12.388 1.00 0.00 O ATOM 232 CB VAL A 18 6.073 -7.699 -9.958 1.00 0.00 C ATOM 233 CG1 VAL A 18 5.124 -6.595 -10.402 1.00 0.00 C ATOM 234 CG2 VAL A 18 5.299 -8.908 -9.456 1.00 0.00 C ATOM 0 H VAL A 18 7.827 -6.182 -10.880 1.00 0.00 H new ATOM 0 HA VAL A 18 7.647 -8.923 -10.783 1.00 0.00 H new ATOM 0 HB VAL A 18 6.678 -7.317 -9.136 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.468 -6.324 -9.575 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.700 -5.722 -10.709 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.524 -6.947 -11.241 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.641 -8.606 -8.641 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.703 -9.322 -10.270 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.998 -9.664 -9.097 1.00 0.00 H new ATOM 244 N ARG A 19 5.901 -7.629 -13.213 1.00 0.00 N ATOM 245 CA ARG A 19 5.108 -7.935 -14.398 1.00 0.00 C ATOM 246 C ARG A 19 5.854 -8.896 -15.319 1.00 0.00 C ATOM 247 O ARG A 19 5.291 -9.885 -15.787 1.00 0.00 O ATOM 248 CB ARG A 19 4.765 -6.650 -15.154 1.00 0.00 C ATOM 249 CG ARG A 19 3.324 -6.202 -14.973 1.00 0.00 C ATOM 250 CD ARG A 19 2.571 -6.202 -16.293 1.00 0.00 C ATOM 251 NE ARG A 19 1.131 -6.354 -16.102 1.00 0.00 N ATOM 252 CZ ARG A 19 0.357 -5.416 -15.567 1.00 0.00 C ATOM 253 NH1 ARG A 19 0.882 -4.264 -15.174 1.00 0.00 N ATOM 254 NH2 ARG A 19 -0.945 -5.629 -15.426 1.00 0.00 N ATOM 0 H ARG A 19 6.217 -6.661 -13.155 1.00 0.00 H new ATOM 0 HA ARG A 19 4.185 -8.415 -14.072 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.429 -5.853 -14.819 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.959 -6.801 -16.216 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.822 -6.863 -14.267 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.304 -5.201 -14.542 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.770 -5.271 -16.824 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.941 -7.012 -16.921 1.00 0.00 H new ATOM 0 HE ARG A 19 0.696 -7.228 -16.396 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.882 -4.096 -15.282 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.286 -3.545 -14.764 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.353 -6.514 -15.728 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.538 -4.908 -15.015 1.00 0.00 H new ATOM 268 N ALA A 20 7.123 -8.597 -15.574 1.00 0.00 N ATOM 269 CA ALA A 20 7.947 -9.435 -16.437 1.00 0.00 C ATOM 270 C ALA A 20 8.236 -10.781 -15.781 1.00 0.00 C ATOM 271 O ALA A 20 8.368 -11.799 -16.462 1.00 0.00 O ATOM 272 CB ALA A 20 9.247 -8.723 -16.779 1.00 0.00 C ATOM 0 H ALA A 20 7.603 -7.781 -15.195 1.00 0.00 H new ATOM 0 HA ALA A 20 7.394 -9.620 -17.358 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.852 -9.360 -17.424 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.025 -7.790 -17.296 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.796 -8.508 -15.862 1.00 0.00 H new ATOM 278 N ILE A 21 8.334 -10.780 -14.456 1.00 0.00 N ATOM 279 CA ILE A 21 8.608 -12.001 -13.709 1.00 0.00 C ATOM 280 C ILE A 21 7.388 -12.917 -13.687 1.00 0.00 C ATOM 281 O ILE A 21 7.515 -14.132 -13.546 1.00 0.00 O ATOM 282 CB ILE A 21 9.030 -11.693 -12.261 1.00 0.00 C ATOM 283 CG1 ILE A 21 10.273 -10.801 -12.248 1.00 0.00 C ATOM 284 CG2 ILE A 21 9.290 -12.984 -11.499 1.00 0.00 C ATOM 285 CD1 ILE A 21 10.520 -10.127 -10.916 1.00 0.00 C ATOM 0 H ILE A 21 8.228 -9.947 -13.877 1.00 0.00 H new ATOM 0 HA ILE A 21 9.429 -12.505 -14.218 1.00 0.00 H new ATOM 0 HB ILE A 21 8.218 -11.160 -11.767 1.00 0.00 H new ATOM 0 HG12 ILE A 21 11.144 -11.402 -12.509 1.00 0.00 H new ATOM 0 HG13 ILE A 21 10.170 -10.037 -13.019 1.00 0.00 H new ATOM 0 HG21 ILE A 21 9.587 -12.750 -10.477 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.382 -13.587 -11.484 1.00 0.00 H new ATOM 0 HG23 ILE A 21 10.087 -13.542 -11.990 1.00 0.00 H new ATOM 0 HD11 ILE A 21 11.417 -9.511 -10.981 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.666 -9.499 -10.662 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.655 -10.885 -10.144 1.00 0.00 H new ATOM 297 N ASN A 22 6.207 -12.324 -13.829 1.00 0.00 N ATOM 298 CA ASN A 22 4.964 -13.086 -13.827 1.00 0.00 C ATOM 299 C ASN A 22 4.566 -13.482 -15.246 1.00 0.00 C ATOM 300 O ASN A 22 3.892 -14.490 -15.453 1.00 0.00 O ATOM 301 CB ASN A 22 3.843 -12.271 -13.180 1.00 0.00 C ATOM 302 CG ASN A 22 3.491 -12.771 -11.792 1.00 0.00 C ATOM 303 OD1 ASN A 22 3.036 -13.903 -11.625 1.00 0.00 O ATOM 304 ND2 ASN A 22 3.701 -11.927 -10.789 1.00 0.00 N ATOM 0 H ASN A 22 6.085 -11.318 -13.947 1.00 0.00 H new ATOM 0 HA ASN A 22 5.125 -13.995 -13.247 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.145 -11.225 -13.121 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.957 -12.311 -13.813 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.484 -12.207 -9.833 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.080 -10.998 -10.975 1.00 0.00 H new ATOM 311 N GLU A 23 4.990 -12.682 -16.219 1.00 0.00 N ATOM 312 CA GLU A 23 4.678 -12.949 -17.618 1.00 0.00 C ATOM 313 C GLU A 23 5.703 -13.897 -18.233 1.00 0.00 C ATOM 314 O GLU A 23 5.359 -14.980 -18.706 1.00 0.00 O ATOM 315 CB GLU A 23 4.634 -11.642 -18.413 1.00 0.00 C ATOM 316 CG GLU A 23 3.347 -10.858 -18.224 1.00 0.00 C ATOM 317 CD GLU A 23 2.490 -10.834 -19.475 1.00 0.00 C ATOM 318 OE1 GLU A 23 1.765 -11.822 -19.716 1.00 0.00 O ATOM 319 OE2 GLU A 23 2.544 -9.828 -20.213 1.00 0.00 O ATOM 0 H GLU A 23 5.550 -11.844 -16.064 1.00 0.00 H new ATOM 0 HA GLU A 23 3.698 -13.424 -17.660 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.477 -11.018 -18.116 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.761 -11.866 -19.472 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.776 -11.296 -17.405 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.588 -9.835 -17.933 1.00 0.00 H new ATOM 326 N PHE A 24 6.966 -13.481 -18.223 1.00 0.00 N ATOM 327 CA PHE A 24 8.042 -14.292 -18.780 1.00 0.00 C ATOM 328 C PHE A 24 8.376 -15.461 -17.859 1.00 0.00 C ATOM 329 O PHE A 24 9.032 -16.420 -18.268 1.00 0.00 O ATOM 330 CB PHE A 24 9.289 -13.435 -19.008 1.00 0.00 C ATOM 331 CG PHE A 24 9.105 -12.373 -20.054 1.00 0.00 C ATOM 332 CD1 PHE A 24 8.476 -11.178 -19.744 1.00 0.00 C ATOM 333 CD2 PHE A 24 9.561 -12.570 -21.347 1.00 0.00 C ATOM 334 CE1 PHE A 24 8.304 -10.200 -20.706 1.00 0.00 C ATOM 335 CE2 PHE A 24 9.392 -11.596 -22.313 1.00 0.00 C ATOM 336 CZ PHE A 24 8.764 -10.409 -21.991 1.00 0.00 C ATOM 0 H PHE A 24 7.269 -12.587 -17.835 1.00 0.00 H new ATOM 0 HA PHE A 24 7.704 -14.692 -19.736 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.572 -12.962 -18.068 1.00 0.00 H new ATOM 0 HB3 PHE A 24 10.116 -14.082 -19.300 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.116 -11.009 -18.740 1.00 0.00 H new ATOM 0 HD2 PHE A 24 10.055 -13.496 -21.603 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.810 -9.273 -20.453 1.00 0.00 H new ATOM 0 HE2 PHE A 24 9.750 -11.763 -23.318 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.633 -9.645 -22.743 1.00 0.00 H new ATOM 346 N CYS A 25 7.919 -15.375 -16.615 1.00 0.00 N ATOM 347 CA CYS A 25 8.170 -16.425 -15.634 1.00 0.00 C ATOM 348 C CYS A 25 9.667 -16.627 -15.424 1.00 0.00 C ATOM 349 O CYS A 25 10.242 -17.614 -15.884 1.00 0.00 O ATOM 350 CB CYS A 25 7.524 -17.736 -16.083 1.00 0.00 C ATOM 351 SG CYS A 25 5.833 -17.969 -15.486 1.00 0.00 S ATOM 0 H CYS A 25 7.373 -14.589 -16.262 1.00 0.00 H new ATOM 0 HA CYS A 25 7.728 -16.116 -14.687 1.00 0.00 H new ATOM 0 HB2 CYS A 25 7.521 -17.773 -17.172 1.00 0.00 H new ATOM 0 HB3 CYS A 25 8.138 -18.568 -15.737 1.00 0.00 H new ATOM 0 HG CYS A 25 5.372 -19.104 -15.920 1.00 0.00 H new ATOM 357 N LEU A 26 10.294 -15.685 -14.728 1.00 0.00 N ATOM 358 CA LEU A 26 11.726 -15.758 -14.458 1.00 0.00 C ATOM 359 C LEU A 26 12.001 -15.699 -12.959 1.00 0.00 C ATOM 360 O LEU A 26 11.076 -15.680 -12.147 1.00 0.00 O ATOM 361 CB LEU A 26 12.457 -14.617 -15.167 1.00 0.00 C ATOM 362 CG LEU A 26 12.097 -14.400 -16.637 1.00 0.00 C ATOM 363 CD1 LEU A 26 12.493 -13.001 -17.083 1.00 0.00 C ATOM 364 CD2 LEU A 26 12.767 -15.450 -17.511 1.00 0.00 C ATOM 0 H LEU A 26 9.833 -14.862 -14.340 1.00 0.00 H new ATOM 0 HA LEU A 26 12.095 -16.710 -14.839 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.258 -13.693 -14.625 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.529 -14.802 -15.100 1.00 0.00 H new ATOM 0 HG LEU A 26 11.017 -14.501 -16.745 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.229 -12.865 -18.132 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.966 -12.263 -16.478 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.568 -12.870 -16.960 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.499 -15.280 -18.554 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.849 -15.381 -17.398 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.433 -16.442 -17.208 1.00 0.00 H new ATOM 376 N LYS A 27 13.279 -15.669 -12.598 1.00 0.00 N ATOM 377 CA LYS A 27 13.678 -15.608 -11.197 1.00 0.00 C ATOM 378 C LYS A 27 13.911 -14.166 -10.759 1.00 0.00 C ATOM 379 O LYS A 27 13.951 -13.255 -11.586 1.00 0.00 O ATOM 380 CB LYS A 27 14.947 -16.433 -10.971 1.00 0.00 C ATOM 381 CG LYS A 27 14.702 -17.932 -10.939 1.00 0.00 C ATOM 382 CD LYS A 27 16.002 -18.712 -11.039 1.00 0.00 C ATOM 383 CE LYS A 27 16.497 -18.789 -12.475 1.00 0.00 C ATOM 384 NZ LYS A 27 16.142 -20.086 -13.115 1.00 0.00 N ATOM 0 H LYS A 27 14.057 -15.686 -13.257 1.00 0.00 H new ATOM 0 HA LYS A 27 12.869 -16.024 -10.596 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.662 -16.207 -11.762 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.405 -16.128 -10.030 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.187 -18.198 -10.016 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.045 -18.212 -11.762 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.761 -18.238 -10.416 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.854 -19.719 -10.650 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.067 -17.970 -13.052 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.579 -18.659 -12.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.497 -20.099 -14.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.573 -20.867 -12.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.108 -20.199 -13.120 1.00 0.00 H new ATOM 398 N SER A 28 14.067 -13.966 -9.454 1.00 0.00 N ATOM 399 CA SER A 28 14.295 -12.634 -8.907 1.00 0.00 C ATOM 400 C SER A 28 15.689 -12.130 -9.266 1.00 0.00 C ATOM 401 O SER A 28 15.853 -10.999 -9.724 1.00 0.00 O ATOM 402 CB SER A 28 14.121 -12.648 -7.387 1.00 0.00 C ATOM 403 OG SER A 28 14.039 -11.330 -6.871 1.00 0.00 O ATOM 0 H SER A 28 14.040 -14.710 -8.756 1.00 0.00 H new ATOM 0 HA SER A 28 13.560 -11.958 -9.344 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.219 -13.201 -7.126 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.959 -13.171 -6.927 1.00 0.00 H new ATOM 0 HG SER A 28 13.927 -11.366 -5.898 1.00 0.00 H new ATOM 409 N SER A 29 16.691 -12.977 -9.056 1.00 0.00 N ATOM 410 CA SER A 29 18.072 -12.618 -9.353 1.00 0.00 C ATOM 411 C SER A 29 18.255 -12.351 -10.844 1.00 0.00 C ATOM 412 O SER A 29 19.132 -11.586 -11.247 1.00 0.00 O ATOM 413 CB SER A 29 19.020 -13.731 -8.904 1.00 0.00 C ATOM 414 OG SER A 29 20.230 -13.197 -8.396 1.00 0.00 O ATOM 0 H SER A 29 16.572 -13.918 -8.681 1.00 0.00 H new ATOM 0 HA SER A 29 18.309 -11.706 -8.805 1.00 0.00 H new ATOM 0 HB2 SER A 29 18.537 -14.337 -8.138 1.00 0.00 H new ATOM 0 HB3 SER A 29 19.235 -14.391 -9.744 1.00 0.00 H new ATOM 0 HG SER A 29 20.818 -13.929 -8.114 1.00 0.00 H new ATOM 420 N ASP A 30 17.420 -12.987 -11.659 1.00 0.00 N ATOM 421 CA ASP A 30 17.487 -12.818 -13.106 1.00 0.00 C ATOM 422 C ASP A 30 17.252 -11.362 -13.495 1.00 0.00 C ATOM 423 O ASP A 30 18.144 -10.698 -14.026 1.00 0.00 O ATOM 424 CB ASP A 30 16.458 -13.716 -13.794 1.00 0.00 C ATOM 425 CG ASP A 30 17.016 -15.083 -14.133 1.00 0.00 C ATOM 426 OD1 ASP A 30 17.818 -15.611 -13.335 1.00 0.00 O ATOM 427 OD2 ASP A 30 16.653 -15.626 -15.198 1.00 0.00 O ATOM 0 H ASP A 30 16.689 -13.624 -11.342 1.00 0.00 H new ATOM 0 HA ASP A 30 18.486 -13.106 -13.435 1.00 0.00 H new ATOM 0 HB2 ASP A 30 15.590 -13.832 -13.145 1.00 0.00 H new ATOM 0 HB3 ASP A 30 16.111 -13.232 -14.707 1.00 0.00 H new ATOM 432 N LEU A 31 16.047 -10.871 -13.229 1.00 0.00 N ATOM 433 CA LEU A 31 15.693 -9.493 -13.552 1.00 0.00 C ATOM 434 C LEU A 31 16.720 -8.520 -12.981 1.00 0.00 C ATOM 435 O LEU A 31 17.055 -7.517 -13.611 1.00 0.00 O ATOM 436 CB LEU A 31 14.302 -9.162 -13.008 1.00 0.00 C ATOM 437 CG LEU A 31 13.124 -9.534 -13.909 1.00 0.00 C ATOM 438 CD1 LEU A 31 13.111 -8.666 -15.157 1.00 0.00 C ATOM 439 CD2 LEU A 31 13.182 -11.008 -14.282 1.00 0.00 C ATOM 0 H LEU A 31 15.298 -11.407 -12.790 1.00 0.00 H new ATOM 0 HA LEU A 31 15.686 -9.390 -14.637 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.177 -9.670 -12.052 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.257 -8.091 -12.808 1.00 0.00 H new ATOM 0 HG LEU A 31 12.200 -9.356 -13.358 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.266 -8.945 -15.786 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.019 -7.618 -14.871 1.00 0.00 H new ATOM 0 HD13 LEU A 31 14.039 -8.811 -15.711 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.336 -11.255 -14.923 1.00 0.00 H new ATOM 0 HD22 LEU A 31 14.112 -11.213 -14.813 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.140 -11.614 -13.377 1.00 0.00 H new ATOM 451 N GLU A 32 17.216 -8.824 -11.786 1.00 0.00 N ATOM 452 CA GLU A 32 18.206 -7.976 -11.132 1.00 0.00 C ATOM 453 C GLU A 32 19.469 -7.860 -11.981 1.00 0.00 C ATOM 454 O GLU A 32 20.105 -6.808 -12.023 1.00 0.00 O ATOM 455 CB GLU A 32 18.555 -8.533 -9.751 1.00 0.00 C ATOM 456 CG GLU A 32 17.403 -8.473 -8.761 1.00 0.00 C ATOM 457 CD GLU A 32 17.163 -7.073 -8.231 1.00 0.00 C ATOM 458 OE1 GLU A 32 17.814 -6.697 -7.233 1.00 0.00 O ATOM 459 OE2 GLU A 32 16.324 -6.353 -8.812 1.00 0.00 O ATOM 0 H GLU A 32 16.949 -9.650 -11.251 1.00 0.00 H new ATOM 0 HA GLU A 32 17.775 -6.982 -11.016 1.00 0.00 H new ATOM 0 HB2 GLU A 32 18.878 -9.569 -9.857 1.00 0.00 H new ATOM 0 HB3 GLU A 32 19.400 -7.976 -9.347 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.495 -8.836 -9.243 1.00 0.00 H new ATOM 0 HG3 GLU A 32 17.610 -9.143 -7.927 1.00 0.00 H new ATOM 466 N GLN A 33 19.825 -8.950 -12.653 1.00 0.00 N ATOM 467 CA GLN A 33 21.012 -8.972 -13.499 1.00 0.00 C ATOM 468 C GLN A 33 20.902 -7.941 -14.618 1.00 0.00 C ATOM 469 O GLN A 33 21.911 -7.442 -15.118 1.00 0.00 O ATOM 470 CB GLN A 33 21.216 -10.367 -14.092 1.00 0.00 C ATOM 471 CG GLN A 33 22.649 -10.644 -14.517 1.00 0.00 C ATOM 472 CD GLN A 33 23.403 -11.490 -13.510 1.00 0.00 C ATOM 473 OE1 GLN A 33 23.733 -11.028 -12.417 1.00 0.00 O ATOM 474 NE2 GLN A 33 23.679 -12.737 -13.873 1.00 0.00 N ATOM 0 H GLN A 33 19.308 -9.829 -12.628 1.00 0.00 H new ATOM 0 HA GLN A 33 21.873 -8.719 -12.880 1.00 0.00 H new ATOM 0 HB2 GLN A 33 20.913 -11.113 -13.357 1.00 0.00 H new ATOM 0 HB3 GLN A 33 20.561 -10.485 -14.955 1.00 0.00 H new ATOM 0 HG2 GLN A 33 22.646 -11.151 -15.482 1.00 0.00 H new ATOM 0 HG3 GLN A 33 23.172 -9.698 -14.655 1.00 0.00 H new ATOM 0 HE21 GLN A 33 23.386 -13.078 -14.789 1.00 0.00 H new ATOM 0 HE22 GLN A 33 24.184 -13.354 -13.236 1.00 0.00 H new ATOM 483 N LEU A 34 19.672 -7.627 -15.007 1.00 0.00 N ATOM 484 CA LEU A 34 19.430 -6.655 -16.067 1.00 0.00 C ATOM 485 C LEU A 34 19.600 -5.230 -15.550 1.00 0.00 C ATOM 486 O LEU A 34 19.559 -4.988 -14.344 1.00 0.00 O ATOM 487 CB LEU A 34 18.023 -6.836 -16.641 1.00 0.00 C ATOM 488 CG LEU A 34 17.721 -8.203 -17.256 1.00 0.00 C ATOM 489 CD1 LEU A 34 16.219 -8.412 -17.381 1.00 0.00 C ATOM 490 CD2 LEU A 34 18.395 -8.338 -18.614 1.00 0.00 C ATOM 0 H LEU A 34 18.826 -8.031 -14.604 1.00 0.00 H new ATOM 0 HA LEU A 34 20.163 -6.826 -16.856 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.301 -6.650 -15.846 1.00 0.00 H new ATOM 0 HB3 LEU A 34 17.862 -6.073 -17.403 1.00 0.00 H new ATOM 0 HG LEU A 34 18.121 -8.973 -16.596 1.00 0.00 H new ATOM 0 HD11 LEU A 34 16.023 -9.390 -17.821 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.761 -8.360 -16.393 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.796 -7.636 -18.019 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.169 -9.317 -19.037 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.026 -7.560 -19.282 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.474 -8.234 -18.497 1.00 0.00 H new ATOM 502 N ARG A 35 19.789 -4.290 -16.471 1.00 0.00 N ATOM 503 CA ARG A 35 19.964 -2.889 -16.108 1.00 0.00 C ATOM 504 C ARG A 35 18.741 -2.364 -15.361 1.00 0.00 C ATOM 505 O ARG A 35 17.606 -2.546 -15.801 1.00 0.00 O ATOM 506 CB ARG A 35 20.213 -2.044 -17.358 1.00 0.00 C ATOM 507 CG ARG A 35 21.478 -1.204 -17.283 1.00 0.00 C ATOM 508 CD ARG A 35 22.258 -1.254 -18.587 1.00 0.00 C ATOM 509 NE ARG A 35 23.392 -2.171 -18.512 1.00 0.00 N ATOM 510 CZ ARG A 35 24.550 -1.863 -17.939 1.00 0.00 C ATOM 511 NH1 ARG A 35 24.726 -0.667 -17.394 1.00 0.00 N ATOM 512 NH2 ARG A 35 25.535 -2.752 -17.910 1.00 0.00 N ATOM 0 H ARG A 35 19.825 -4.474 -17.474 1.00 0.00 H new ATOM 0 HA ARG A 35 20.830 -2.815 -15.450 1.00 0.00 H new ATOM 0 HB2 ARG A 35 20.275 -2.702 -18.225 1.00 0.00 H new ATOM 0 HB3 ARG A 35 19.359 -1.386 -17.518 1.00 0.00 H new ATOM 0 HG2 ARG A 35 21.217 -0.171 -17.053 1.00 0.00 H new ATOM 0 HG3 ARG A 35 22.106 -1.563 -16.468 1.00 0.00 H new ATOM 0 HD2 ARG A 35 21.594 -1.563 -19.395 1.00 0.00 H new ATOM 0 HD3 ARG A 35 22.616 -0.254 -18.834 1.00 0.00 H new ATOM 0 HE ARG A 35 23.289 -3.099 -18.922 1.00 0.00 H new ATOM 0 HH11 ARG A 35 23.971 0.019 -17.414 1.00 0.00 H new ATOM 0 HH12 ARG A 35 25.616 -0.433 -16.955 1.00 0.00 H new ATOM 0 HH21 ARG A 35 25.403 -3.673 -18.328 1.00 0.00 H new ATOM 0 HH22 ARG A 35 26.424 -2.514 -17.470 1.00 0.00 H new ATOM 526 N LYS A 36 18.982 -1.712 -14.229 1.00 0.00 N ATOM 527 CA LYS A 36 17.902 -1.159 -13.420 1.00 0.00 C ATOM 528 C LYS A 36 17.721 0.330 -13.699 1.00 0.00 C ATOM 529 O LYS A 36 18.537 1.152 -13.282 1.00 0.00 O ATOM 530 CB LYS A 36 18.187 -1.379 -11.932 1.00 0.00 C ATOM 531 CG LYS A 36 18.211 -2.843 -11.528 1.00 0.00 C ATOM 532 CD LYS A 36 17.786 -3.029 -10.081 1.00 0.00 C ATOM 533 CE LYS A 36 18.988 -3.113 -9.153 1.00 0.00 C ATOM 534 NZ LYS A 36 18.596 -3.508 -7.772 1.00 0.00 N ATOM 0 H LYS A 36 19.916 -1.553 -13.851 1.00 0.00 H new ATOM 0 HA LYS A 36 16.980 -1.676 -13.687 1.00 0.00 H new ATOM 0 HB2 LYS A 36 19.147 -0.926 -11.684 1.00 0.00 H new ATOM 0 HB3 LYS A 36 17.429 -0.861 -11.345 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.547 -3.412 -12.179 1.00 0.00 H new ATOM 0 HG3 LYS A 36 19.215 -3.244 -11.668 1.00 0.00 H new ATOM 0 HD2 LYS A 36 17.149 -2.198 -9.778 1.00 0.00 H new ATOM 0 HD3 LYS A 36 17.190 -3.937 -9.990 1.00 0.00 H new ATOM 0 HE2 LYS A 36 19.702 -3.835 -9.548 1.00 0.00 H new ATOM 0 HE3 LYS A 36 19.493 -2.148 -9.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 19.375 -3.296 -7.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.748 -2.978 -7.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.391 -4.527 -7.747 1.00 0.00 H new ATOM 782 N VAL A 51 12.455 -0.115 -13.452 1.00 0.00 N ATOM 783 CA VAL A 51 11.793 -0.600 -14.657 1.00 0.00 C ATOM 784 C VAL A 51 12.797 -1.210 -15.628 1.00 0.00 C ATOM 785 O VAL A 51 13.920 -0.722 -15.765 1.00 0.00 O ATOM 786 CB VAL A 51 11.028 0.531 -15.371 1.00 0.00 C ATOM 787 CG1 VAL A 51 9.817 0.956 -14.553 1.00 0.00 C ATOM 788 CG2 VAL A 51 11.948 1.715 -15.630 1.00 0.00 C ATOM 0 HA VAL A 51 11.084 -1.366 -14.342 1.00 0.00 H new ATOM 0 HB VAL A 51 10.675 0.157 -16.332 1.00 0.00 H new ATOM 0 HG11 VAL A 51 9.289 1.756 -15.073 1.00 0.00 H new ATOM 0 HG12 VAL A 51 9.149 0.105 -14.423 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.145 1.313 -13.576 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.391 2.505 -16.135 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.332 2.091 -14.682 1.00 0.00 H new ATOM 0 HG23 VAL A 51 12.780 1.398 -16.259 1.00 0.00 H new ATOM 798 N TYR A 52 12.386 -2.279 -16.301 1.00 0.00 N ATOM 799 CA TYR A 52 13.251 -2.958 -17.259 1.00 0.00 C ATOM 800 C TYR A 52 12.782 -2.709 -18.689 1.00 0.00 C ATOM 801 O TYR A 52 11.773 -2.039 -18.916 1.00 0.00 O ATOM 802 CB TYR A 52 13.281 -4.461 -16.975 1.00 0.00 C ATOM 803 CG TYR A 52 13.613 -4.799 -15.539 1.00 0.00 C ATOM 804 CD1 TYR A 52 14.839 -4.449 -14.987 1.00 0.00 C ATOM 805 CD2 TYR A 52 12.699 -5.468 -14.733 1.00 0.00 C ATOM 806 CE1 TYR A 52 15.146 -4.757 -13.676 1.00 0.00 C ATOM 807 CE2 TYR A 52 12.998 -5.779 -13.421 1.00 0.00 C ATOM 808 CZ TYR A 52 14.223 -5.422 -12.897 1.00 0.00 C ATOM 809 OH TYR A 52 14.525 -5.729 -11.590 1.00 0.00 O ATOM 0 H TYR A 52 11.460 -2.694 -16.201 1.00 0.00 H new ATOM 0 HA TYR A 52 14.258 -2.554 -17.151 1.00 0.00 H new ATOM 0 HB2 TYR A 52 12.310 -4.889 -17.225 1.00 0.00 H new ATOM 0 HB3 TYR A 52 14.015 -4.931 -17.629 1.00 0.00 H new ATOM 0 HD1 TYR A 52 15.564 -3.927 -15.593 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.739 -5.749 -15.140 1.00 0.00 H new ATOM 0 HE1 TYR A 52 16.104 -4.478 -13.263 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.276 -6.299 -12.808 1.00 0.00 H new ATOM 0 HH TYR A 52 13.767 -6.196 -11.180 1.00 0.00 H new ATOM 819 N LEU A 53 13.520 -3.252 -19.650 1.00 0.00 N ATOM 820 CA LEU A 53 13.181 -3.090 -21.059 1.00 0.00 C ATOM 821 C LEU A 53 12.602 -4.380 -21.632 1.00 0.00 C ATOM 822 O LEU A 53 13.150 -5.463 -21.426 1.00 0.00 O ATOM 823 CB LEU A 53 14.418 -2.675 -21.858 1.00 0.00 C ATOM 824 CG LEU A 53 14.521 -1.191 -22.211 1.00 0.00 C ATOM 825 CD1 LEU A 53 15.338 -0.448 -21.165 1.00 0.00 C ATOM 826 CD2 LEU A 53 15.134 -1.013 -23.593 1.00 0.00 C ATOM 0 H LEU A 53 14.358 -3.809 -19.479 1.00 0.00 H new ATOM 0 HA LEU A 53 12.426 -2.308 -21.137 1.00 0.00 H new ATOM 0 HB2 LEU A 53 15.304 -2.955 -21.289 1.00 0.00 H new ATOM 0 HB3 LEU A 53 14.438 -3.251 -22.783 1.00 0.00 H new ATOM 0 HG LEU A 53 13.516 -0.770 -22.223 1.00 0.00 H new ATOM 0 HD11 LEU A 53 15.400 0.607 -21.434 1.00 0.00 H new ATOM 0 HD12 LEU A 53 14.858 -0.547 -20.191 1.00 0.00 H new ATOM 0 HD13 LEU A 53 16.342 -0.871 -21.120 1.00 0.00 H new ATOM 0 HD21 LEU A 53 15.200 0.049 -23.828 1.00 0.00 H new ATOM 0 HD22 LEU A 53 16.132 -1.450 -23.607 1.00 0.00 H new ATOM 0 HD23 LEU A 53 14.509 -1.511 -24.335 1.00 0.00 H new ATOM 838 N ARG A 54 11.493 -4.256 -22.353 1.00 0.00 N ATOM 839 CA ARG A 54 10.840 -5.412 -22.956 1.00 0.00 C ATOM 840 C ARG A 54 11.830 -6.222 -23.789 1.00 0.00 C ATOM 841 O ARG A 54 11.731 -7.446 -23.871 1.00 0.00 O ATOM 842 CB ARG A 54 9.668 -4.964 -23.831 1.00 0.00 C ATOM 843 CG ARG A 54 8.449 -5.865 -23.723 1.00 0.00 C ATOM 844 CD ARG A 54 7.165 -5.055 -23.628 1.00 0.00 C ATOM 845 NE ARG A 54 5.980 -5.909 -23.609 1.00 0.00 N ATOM 846 CZ ARG A 54 5.446 -6.450 -24.699 1.00 0.00 C ATOM 847 NH1 ARG A 54 5.989 -6.226 -25.888 1.00 0.00 N ATOM 848 NH2 ARG A 54 4.367 -7.216 -24.601 1.00 0.00 N ATOM 0 H ARG A 54 11.028 -3.367 -22.534 1.00 0.00 H new ATOM 0 HA ARG A 54 10.463 -6.045 -22.153 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.385 -3.949 -23.553 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.994 -4.930 -24.871 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.403 -6.522 -24.591 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.544 -6.504 -22.845 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.187 -4.445 -22.725 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.105 -4.370 -24.474 1.00 0.00 H new ATOM 0 HE ARG A 54 5.538 -6.101 -22.710 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.818 -5.637 -25.967 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.577 -6.642 -26.723 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.946 -7.390 -23.688 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.958 -7.631 -25.438 1.00 0.00 H new ATOM 862 N SER A 55 12.782 -5.529 -24.405 1.00 0.00 N ATOM 863 CA SER A 55 13.787 -6.183 -25.235 1.00 0.00 C ATOM 864 C SER A 55 14.749 -7.002 -24.380 1.00 0.00 C ATOM 865 O SER A 55 15.119 -8.120 -24.740 1.00 0.00 O ATOM 866 CB SER A 55 14.565 -5.144 -26.045 1.00 0.00 C ATOM 867 OG SER A 55 14.706 -5.551 -27.396 1.00 0.00 O ATOM 0 H SER A 55 12.879 -4.515 -24.345 1.00 0.00 H new ATOM 0 HA SER A 55 13.273 -6.857 -25.920 1.00 0.00 H new ATOM 0 HB2 SER A 55 14.049 -4.185 -26.003 1.00 0.00 H new ATOM 0 HB3 SER A 55 15.550 -4.996 -25.602 1.00 0.00 H new ATOM 0 HG SER A 55 15.205 -4.869 -27.893 1.00 0.00 H new ATOM 873 N ASP A 56 15.150 -6.437 -23.246 1.00 0.00 N ATOM 874 CA ASP A 56 16.068 -7.114 -22.338 1.00 0.00 C ATOM 875 C ASP A 56 15.436 -8.381 -21.771 1.00 0.00 C ATOM 876 O ASP A 56 16.009 -9.467 -21.859 1.00 0.00 O ATOM 877 CB ASP A 56 16.475 -6.178 -21.199 1.00 0.00 C ATOM 878 CG ASP A 56 17.879 -5.633 -21.371 1.00 0.00 C ATOM 879 OD1 ASP A 56 18.827 -6.444 -21.430 1.00 0.00 O ATOM 880 OD2 ASP A 56 18.030 -4.396 -21.447 1.00 0.00 O ATOM 0 H ASP A 56 14.854 -5.512 -22.934 1.00 0.00 H new ATOM 0 HA ASP A 56 16.957 -7.395 -22.902 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.770 -5.348 -21.145 1.00 0.00 H new ATOM 0 HB3 ASP A 56 16.410 -6.713 -20.252 1.00 0.00 H new ATOM 885 N VAL A 57 14.250 -8.235 -21.187 1.00 0.00 N ATOM 886 CA VAL A 57 13.540 -9.367 -20.604 1.00 0.00 C ATOM 887 C VAL A 57 13.305 -10.460 -21.641 1.00 0.00 C ATOM 888 O VAL A 57 13.332 -11.648 -21.320 1.00 0.00 O ATOM 889 CB VAL A 57 12.184 -8.935 -20.014 1.00 0.00 C ATOM 890 CG1 VAL A 57 11.481 -10.120 -19.368 1.00 0.00 C ATOM 891 CG2 VAL A 57 12.376 -7.807 -19.011 1.00 0.00 C ATOM 0 H VAL A 57 13.761 -7.344 -21.105 1.00 0.00 H new ATOM 0 HA VAL A 57 14.168 -9.758 -19.804 1.00 0.00 H new ATOM 0 HB VAL A 57 11.554 -8.567 -20.824 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.525 -9.796 -18.957 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.310 -10.894 -20.116 1.00 0.00 H new ATOM 0 HG13 VAL A 57 12.103 -10.520 -18.568 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.408 -7.514 -18.604 1.00 0.00 H new ATOM 0 HG22 VAL A 57 13.023 -8.146 -18.202 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.835 -6.952 -19.508 1.00 0.00 H new ATOM 901 N GLU A 58 13.075 -10.050 -22.884 1.00 0.00 N ATOM 902 CA GLU A 58 12.835 -10.995 -23.968 1.00 0.00 C ATOM 903 C GLU A 58 13.939 -12.048 -24.026 1.00 0.00 C ATOM 904 O GLU A 58 13.678 -13.244 -23.899 1.00 0.00 O ATOM 905 CB GLU A 58 12.746 -10.260 -25.306 1.00 0.00 C ATOM 906 CG GLU A 58 12.180 -11.109 -26.431 1.00 0.00 C ATOM 907 CD GLU A 58 11.388 -10.295 -27.436 1.00 0.00 C ATOM 908 OE1 GLU A 58 12.004 -9.747 -28.373 1.00 0.00 O ATOM 909 OE2 GLU A 58 10.152 -10.206 -27.284 1.00 0.00 O ATOM 0 H GLU A 58 13.050 -9.070 -23.165 1.00 0.00 H new ATOM 0 HA GLU A 58 11.887 -11.497 -23.774 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.124 -9.373 -25.183 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.741 -9.915 -25.588 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.997 -11.617 -26.944 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.538 -11.883 -26.009 1.00 0.00 H new ATOM 916 N ALA A 59 15.172 -11.593 -24.220 1.00 0.00 N ATOM 917 CA ALA A 59 16.316 -12.493 -24.293 1.00 0.00 C ATOM 918 C ALA A 59 16.488 -13.270 -22.993 1.00 0.00 C ATOM 919 O ALA A 59 16.823 -14.455 -23.004 1.00 0.00 O ATOM 920 CB ALA A 59 17.582 -11.713 -24.616 1.00 0.00 C ATOM 0 H ALA A 59 15.404 -10.606 -24.330 1.00 0.00 H new ATOM 0 HA ALA A 59 16.131 -13.211 -25.092 1.00 0.00 H new ATOM 0 HB1 ALA A 59 18.428 -12.398 -24.667 1.00 0.00 H new ATOM 0 HB2 ALA A 59 17.464 -11.209 -25.575 1.00 0.00 H new ATOM 0 HB3 ALA A 59 17.762 -10.972 -23.837 1.00 0.00 H new ATOM 926 N LYS A 60 16.256 -12.596 -21.871 1.00 0.00 N ATOM 927 CA LYS A 60 16.385 -13.222 -20.561 1.00 0.00 C ATOM 928 C LYS A 60 15.504 -14.464 -20.463 1.00 0.00 C ATOM 929 O LYS A 60 15.791 -15.380 -19.693 1.00 0.00 O ATOM 930 CB LYS A 60 16.010 -12.229 -19.459 1.00 0.00 C ATOM 931 CG LYS A 60 16.057 -12.823 -18.062 1.00 0.00 C ATOM 932 CD LYS A 60 17.458 -13.286 -17.701 1.00 0.00 C ATOM 933 CE LYS A 60 18.405 -12.110 -17.521 1.00 0.00 C ATOM 934 NZ LYS A 60 19.748 -12.545 -17.046 1.00 0.00 N ATOM 0 H LYS A 60 15.977 -11.615 -21.843 1.00 0.00 H new ATOM 0 HA LYS A 60 17.424 -13.524 -20.431 1.00 0.00 H new ATOM 0 HB2 LYS A 60 16.687 -11.376 -19.505 1.00 0.00 H new ATOM 0 HB3 LYS A 60 15.006 -11.850 -19.650 1.00 0.00 H new ATOM 0 HG2 LYS A 60 15.720 -12.081 -17.338 1.00 0.00 H new ATOM 0 HG3 LYS A 60 15.367 -13.665 -18.000 1.00 0.00 H new ATOM 0 HD2 LYS A 60 17.423 -13.871 -16.782 1.00 0.00 H new ATOM 0 HD3 LYS A 60 17.838 -13.944 -18.483 1.00 0.00 H new ATOM 0 HE2 LYS A 60 18.509 -11.580 -18.468 1.00 0.00 H new ATOM 0 HE3 LYS A 60 17.978 -11.406 -16.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 20.476 -11.917 -17.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 19.780 -12.501 -16.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 19.927 -13.521 -17.356 1.00 0.00 H new ATOM 948 N SER A 61 14.432 -14.486 -21.248 1.00 0.00 N ATOM 949 CA SER A 61 13.507 -15.614 -21.247 1.00 0.00 C ATOM 950 C SER A 61 14.017 -16.735 -22.149 1.00 0.00 C ATOM 951 O SER A 61 13.696 -17.906 -21.945 1.00 0.00 O ATOM 952 CB SER A 61 12.120 -15.165 -21.708 1.00 0.00 C ATOM 953 OG SER A 61 11.514 -16.145 -22.532 1.00 0.00 O ATOM 0 H SER A 61 14.182 -13.736 -21.893 1.00 0.00 H new ATOM 0 HA SER A 61 13.437 -15.994 -20.228 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.489 -14.975 -20.840 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.202 -14.226 -22.255 1.00 0.00 H new ATOM 0 HG SER A 61 10.801 -15.731 -23.062 1.00 0.00 H new ATOM 959 N LEU A 62 14.814 -16.367 -23.146 1.00 0.00 N ATOM 960 CA LEU A 62 15.369 -17.339 -24.080 1.00 0.00 C ATOM 961 C LEU A 62 16.593 -18.029 -23.485 1.00 0.00 C ATOM 962 O LEU A 62 16.838 -19.207 -23.741 1.00 0.00 O ATOM 963 CB LEU A 62 15.745 -16.655 -25.396 1.00 0.00 C ATOM 964 CG LEU A 62 14.716 -15.675 -25.960 1.00 0.00 C ATOM 965 CD1 LEU A 62 15.166 -15.150 -27.315 1.00 0.00 C ATOM 966 CD2 LEU A 62 13.351 -16.338 -26.070 1.00 0.00 C ATOM 0 H LEU A 62 15.090 -15.402 -23.328 1.00 0.00 H new ATOM 0 HA LEU A 62 14.607 -18.094 -24.275 1.00 0.00 H new ATOM 0 HB2 LEU A 62 16.684 -16.121 -25.250 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.930 -17.426 -26.143 1.00 0.00 H new ATOM 0 HG LEU A 62 14.633 -14.831 -25.275 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.421 -14.454 -27.701 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.121 -14.636 -27.207 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.278 -15.983 -28.009 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.632 -15.625 -26.473 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.418 -17.201 -26.733 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.024 -16.664 -25.083 1.00 0.00 H new ATOM 978 N GLU A 63 17.355 -17.286 -22.689 1.00 0.00 N ATOM 979 CA GLU A 63 18.553 -17.828 -22.057 1.00 0.00 C ATOM 980 C GLU A 63 18.186 -18.763 -20.909 1.00 0.00 C ATOM 981 O GLU A 63 18.955 -19.655 -20.549 1.00 0.00 O ATOM 982 CB GLU A 63 19.441 -16.694 -21.541 1.00 0.00 C ATOM 983 CG GLU A 63 18.906 -16.024 -20.286 1.00 0.00 C ATOM 984 CD GLU A 63 19.628 -16.476 -19.031 1.00 0.00 C ATOM 985 OE1 GLU A 63 19.885 -17.690 -18.899 1.00 0.00 O ATOM 986 OE2 GLU A 63 19.936 -15.613 -18.182 1.00 0.00 O ATOM 0 H GLU A 63 17.165 -16.309 -22.466 1.00 0.00 H new ATOM 0 HA GLU A 63 19.102 -18.398 -22.806 1.00 0.00 H new ATOM 0 HB2 GLU A 63 20.436 -17.088 -21.336 1.00 0.00 H new ATOM 0 HB3 GLU A 63 19.550 -15.944 -22.325 1.00 0.00 H new ATOM 0 HG2 GLU A 63 19.002 -14.943 -20.387 1.00 0.00 H new ATOM 0 HG3 GLU A 63 17.843 -16.242 -20.187 1.00 0.00 H new ATOM 993 N VAL A 64 17.004 -18.554 -20.337 1.00 0.00 N ATOM 994 CA VAL A 64 16.533 -19.378 -19.230 1.00 0.00 C ATOM 995 C VAL A 64 15.747 -20.581 -19.736 1.00 0.00 C ATOM 996 O VAL A 64 16.229 -21.713 -19.694 1.00 0.00 O ATOM 997 CB VAL A 64 15.647 -18.568 -18.264 1.00 0.00 C ATOM 998 CG1 VAL A 64 15.121 -19.458 -17.149 1.00 0.00 C ATOM 999 CG2 VAL A 64 16.419 -17.387 -17.696 1.00 0.00 C ATOM 0 H VAL A 64 16.355 -17.821 -20.622 1.00 0.00 H new ATOM 0 HA VAL A 64 17.417 -19.725 -18.695 1.00 0.00 H new ATOM 0 HB VAL A 64 14.793 -18.180 -18.820 1.00 0.00 H new ATOM 0 HG11 VAL A 64 14.497 -18.869 -16.477 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.529 -20.267 -17.578 1.00 0.00 H new ATOM 0 HG13 VAL A 64 15.959 -19.877 -16.592 1.00 0.00 H new ATOM 0 HG21 VAL A 64 15.778 -16.826 -17.016 1.00 0.00 H new ATOM 0 HG22 VAL A 64 17.293 -17.750 -17.155 1.00 0.00 H new ATOM 0 HG23 VAL A 64 16.741 -16.737 -18.510 1.00 0.00 H new ATOM 1009 N TRP A 65 14.534 -20.329 -20.215 1.00 0.00 N ATOM 1010 CA TRP A 65 13.679 -21.393 -20.730 1.00 0.00 C ATOM 1011 C TRP A 65 14.338 -22.095 -21.912 1.00 0.00 C ATOM 1012 O TRP A 65 14.056 -23.260 -22.190 1.00 0.00 O ATOM 1013 CB TRP A 65 12.322 -20.826 -21.150 1.00 0.00 C ATOM 1014 CG TRP A 65 11.378 -20.634 -20.001 1.00 0.00 C ATOM 1015 CD1 TRP A 65 11.177 -19.486 -19.290 1.00 0.00 C ATOM 1016 CD2 TRP A 65 10.510 -21.619 -19.431 1.00 0.00 C ATOM 1017 NE1 TRP A 65 10.235 -19.698 -18.312 1.00 0.00 N ATOM 1018 CE2 TRP A 65 9.810 -20.998 -18.378 1.00 0.00 C ATOM 1019 CE3 TRP A 65 10.254 -22.965 -19.709 1.00 0.00 C ATOM 1020 CZ2 TRP A 65 8.874 -21.679 -17.604 1.00 0.00 C ATOM 1021 CZ3 TRP A 65 9.325 -23.638 -18.940 1.00 0.00 C ATOM 1022 CH2 TRP A 65 8.643 -22.995 -17.898 1.00 0.00 C ATOM 0 H TRP A 65 14.120 -19.398 -20.258 1.00 0.00 H new ATOM 0 HA TRP A 65 13.529 -22.123 -19.935 1.00 0.00 H new ATOM 0 HB2 TRP A 65 12.475 -19.869 -21.650 1.00 0.00 H new ATOM 0 HB3 TRP A 65 11.865 -21.496 -21.878 1.00 0.00 H new ATOM 0 HD1 TRP A 65 11.684 -18.549 -19.470 1.00 0.00 H new ATOM 0 HE1 TRP A 65 9.906 -19.000 -17.645 1.00 0.00 H new ATOM 0 HE3 TRP A 65 10.773 -23.469 -20.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 8.349 -21.186 -16.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 9.120 -24.678 -19.145 1.00 0.00 H new ATOM 0 HH2 TRP A 65 7.921 -23.549 -17.316 1.00 0.00 H new ATOM 1033 N GLY A 66 15.218 -21.379 -22.606 1.00 0.00 N ATOM 1034 CA GLY A 66 15.903 -21.951 -23.750 1.00 0.00 C ATOM 1035 C GLY A 66 15.421 -21.370 -25.064 1.00 0.00 C ATOM 1036 O GLY A 66 16.215 -21.137 -25.976 1.00 0.00 O ATOM 0 H GLY A 66 15.468 -20.413 -22.396 1.00 0.00 H new ATOM 0 HA2 GLY A 66 16.975 -21.779 -23.651 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.753 -23.031 -23.757 1.00 0.00 H new ATOM 1040 N SER A 67 14.116 -21.137 -25.164 1.00 0.00 N ATOM 1041 CA SER A 67 13.529 -20.585 -26.379 1.00 0.00 C ATOM 1042 C SER A 67 12.208 -19.884 -26.073 1.00 0.00 C ATOM 1043 O SER A 67 11.578 -20.114 -25.041 1.00 0.00 O ATOM 1044 CB SER A 67 13.305 -21.692 -27.411 1.00 0.00 C ATOM 1045 OG SER A 67 13.374 -22.973 -26.808 1.00 0.00 O ATOM 0 H SER A 67 13.445 -21.322 -24.418 1.00 0.00 H new ATOM 0 HA SER A 67 14.224 -19.852 -26.789 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.332 -21.561 -27.884 1.00 0.00 H new ATOM 0 HB3 SER A 67 14.055 -21.616 -28.199 1.00 0.00 H new ATOM 0 HG SER A 67 13.226 -23.663 -27.488 1.00 0.00 H new ATOM 1051 N PRO A 68 11.778 -19.008 -26.993 1.00 0.00 N ATOM 1052 CA PRO A 68 10.529 -18.255 -26.846 1.00 0.00 C ATOM 1053 C PRO A 68 9.297 -19.145 -26.976 1.00 0.00 C ATOM 1054 O PRO A 68 8.201 -18.765 -26.567 1.00 0.00 O ATOM 1055 CB PRO A 68 10.584 -17.248 -27.997 1.00 0.00 C ATOM 1056 CG PRO A 68 11.463 -17.885 -29.017 1.00 0.00 C ATOM 1057 CD PRO A 68 12.478 -18.684 -28.248 1.00 0.00 C ATOM 0 HA PRO A 68 10.445 -17.794 -25.862 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.590 -17.051 -28.399 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.989 -16.292 -27.667 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.886 -18.526 -29.684 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.948 -17.133 -29.639 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.773 -19.584 -28.787 1.00 0.00 H new ATOM 0 HD3 PRO A 68 13.386 -18.110 -28.065 1.00 0.00 H new ATOM 1065 N GLU A 69 9.487 -20.330 -27.547 1.00 0.00 N ATOM 1066 CA GLU A 69 8.390 -21.273 -27.731 1.00 0.00 C ATOM 1067 C GLU A 69 8.008 -21.927 -26.406 1.00 0.00 C ATOM 1068 O GLU A 69 6.836 -22.210 -26.156 1.00 0.00 O ATOM 1069 CB GLU A 69 8.776 -22.347 -28.750 1.00 0.00 C ATOM 1070 CG GLU A 69 7.962 -22.290 -30.032 1.00 0.00 C ATOM 1071 CD GLU A 69 8.821 -22.043 -31.257 1.00 0.00 C ATOM 1072 OE1 GLU A 69 9.483 -22.997 -31.719 1.00 0.00 O ATOM 1073 OE2 GLU A 69 8.832 -20.898 -31.755 1.00 0.00 O ATOM 0 H GLU A 69 10.389 -20.660 -27.890 1.00 0.00 H new ATOM 0 HA GLU A 69 7.529 -20.720 -28.106 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.833 -22.240 -28.995 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.652 -23.329 -28.294 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.420 -23.227 -30.156 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.216 -21.499 -29.950 1.00 0.00 H new ATOM 1080 N ALA A 70 9.005 -22.166 -25.562 1.00 0.00 N ATOM 1081 CA ALA A 70 8.775 -22.786 -24.262 1.00 0.00 C ATOM 1082 C ALA A 70 7.909 -21.897 -23.376 1.00 0.00 C ATOM 1083 O ALA A 70 7.016 -22.380 -22.679 1.00 0.00 O ATOM 1084 CB ALA A 70 10.100 -23.085 -23.578 1.00 0.00 C ATOM 0 H ALA A 70 9.981 -21.940 -25.754 1.00 0.00 H new ATOM 0 HA ALA A 70 8.242 -23.723 -24.423 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.913 -23.547 -22.609 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.684 -23.765 -24.198 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.654 -22.157 -23.436 1.00 0.00 H new ATOM 1090 N LEU A 71 8.178 -20.596 -23.408 1.00 0.00 N ATOM 1091 CA LEU A 71 7.423 -19.639 -22.606 1.00 0.00 C ATOM 1092 C LEU A 71 6.033 -19.414 -23.193 1.00 0.00 C ATOM 1093 O LEU A 71 5.051 -19.298 -22.461 1.00 0.00 O ATOM 1094 CB LEU A 71 8.175 -18.310 -22.522 1.00 0.00 C ATOM 1095 CG LEU A 71 7.400 -17.137 -21.919 1.00 0.00 C ATOM 1096 CD1 LEU A 71 7.101 -17.393 -20.450 1.00 0.00 C ATOM 1097 CD2 LEU A 71 8.177 -15.840 -22.089 1.00 0.00 C ATOM 0 H LEU A 71 8.913 -20.180 -23.980 1.00 0.00 H new ATOM 0 HA LEU A 71 7.311 -20.050 -21.603 1.00 0.00 H new ATOM 0 HB2 LEU A 71 9.079 -18.464 -21.933 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.493 -18.031 -23.527 1.00 0.00 H new ATOM 0 HG LEU A 71 6.453 -17.042 -22.450 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.549 -16.548 -20.038 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.503 -18.299 -20.353 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.037 -17.516 -19.904 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.610 -15.017 -21.654 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.140 -15.924 -21.585 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.338 -15.649 -23.150 1.00 0.00 H new ATOM 1109 N ALA A 72 5.959 -19.355 -24.519 1.00 0.00 N ATOM 1110 CA ALA A 72 4.689 -19.149 -25.204 1.00 0.00 C ATOM 1111 C ALA A 72 3.668 -20.206 -24.799 1.00 0.00 C ATOM 1112 O ALA A 72 2.467 -19.940 -24.760 1.00 0.00 O ATOM 1113 CB ALA A 72 4.895 -19.162 -26.712 1.00 0.00 C ATOM 0 H ALA A 72 6.763 -19.447 -25.140 1.00 0.00 H new ATOM 0 HA ALA A 72 4.300 -18.175 -24.909 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.939 -19.007 -27.211 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.584 -18.365 -26.992 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.310 -20.123 -27.014 1.00 0.00 H new ATOM 1119 N ARG A 73 4.153 -21.406 -24.498 1.00 0.00 N ATOM 1120 CA ARG A 73 3.282 -22.505 -24.097 1.00 0.00 C ATOM 1121 C ARG A 73 2.409 -22.102 -22.913 1.00 0.00 C ATOM 1122 O ARG A 73 1.279 -22.568 -22.776 1.00 0.00 O ATOM 1123 CB ARG A 73 4.113 -23.737 -23.737 1.00 0.00 C ATOM 1124 CG ARG A 73 5.055 -24.182 -24.844 1.00 0.00 C ATOM 1125 CD ARG A 73 4.770 -25.612 -25.277 1.00 0.00 C ATOM 1126 NE ARG A 73 5.185 -25.859 -26.655 1.00 0.00 N ATOM 1127 CZ ARG A 73 4.822 -26.931 -27.351 1.00 0.00 C ATOM 1128 NH1 ARG A 73 4.039 -27.849 -26.800 1.00 0.00 N ATOM 1129 NH2 ARG A 73 5.241 -27.086 -28.600 1.00 0.00 N ATOM 0 H ARG A 73 5.145 -21.642 -24.524 1.00 0.00 H new ATOM 0 HA ARG A 73 2.633 -22.747 -24.939 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.695 -23.523 -22.841 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.441 -24.559 -23.492 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.954 -23.515 -25.700 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.086 -24.104 -24.499 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.290 -26.302 -24.613 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.704 -25.815 -25.177 1.00 0.00 H new ATOM 0 HE ARG A 73 5.786 -25.171 -27.108 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.714 -27.733 -25.840 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.762 -28.671 -27.336 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.843 -26.382 -29.027 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.962 -27.909 -29.133 1.00 0.00 H new ATOM 1143 N GLU A 74 2.943 -21.234 -22.059 1.00 0.00 N ATOM 1144 CA GLU A 74 2.213 -20.770 -20.885 1.00 0.00 C ATOM 1145 C GLU A 74 1.470 -19.471 -21.185 1.00 0.00 C ATOM 1146 O GLU A 74 0.369 -19.242 -20.683 1.00 0.00 O ATOM 1147 CB GLU A 74 3.171 -20.563 -19.710 1.00 0.00 C ATOM 1148 CG GLU A 74 3.771 -21.854 -19.180 1.00 0.00 C ATOM 1149 CD GLU A 74 2.852 -22.570 -18.209 1.00 0.00 C ATOM 1150 OE1 GLU A 74 1.891 -21.938 -17.725 1.00 0.00 O ATOM 1151 OE2 GLU A 74 3.095 -23.764 -17.934 1.00 0.00 O ATOM 0 H GLU A 74 3.878 -20.838 -22.158 1.00 0.00 H new ATOM 0 HA GLU A 74 1.482 -21.533 -20.618 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.977 -19.899 -20.022 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.639 -20.061 -18.902 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.996 -22.516 -20.016 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.717 -21.634 -18.684 1.00 0.00 H new ATOM 1158 N LYS A 75 2.081 -18.623 -22.006 1.00 0.00 N ATOM 1159 CA LYS A 75 1.479 -17.347 -22.374 1.00 0.00 C ATOM 1160 C LYS A 75 0.138 -17.558 -23.068 1.00 0.00 C ATOM 1161 O LYS A 75 -0.809 -16.801 -22.856 1.00 0.00 O ATOM 1162 CB LYS A 75 2.421 -16.561 -23.289 1.00 0.00 C ATOM 1163 CG LYS A 75 3.798 -16.332 -22.692 1.00 0.00 C ATOM 1164 CD LYS A 75 4.392 -15.010 -23.150 1.00 0.00 C ATOM 1165 CE LYS A 75 4.005 -13.872 -22.219 1.00 0.00 C ATOM 1166 NZ LYS A 75 3.046 -12.931 -22.861 1.00 0.00 N ATOM 0 H LYS A 75 2.993 -18.797 -22.429 1.00 0.00 H new ATOM 0 HA LYS A 75 1.309 -16.777 -21.461 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.528 -17.096 -24.233 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.969 -15.596 -23.519 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.730 -16.344 -21.604 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.460 -17.149 -22.979 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.478 -15.093 -23.192 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.050 -14.787 -24.161 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.560 -14.281 -21.312 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.901 -13.328 -21.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.807 -12.170 -22.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.479 -12.521 -23.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.181 -13.444 -23.125 1.00 0.00 H new