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= 0.1 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) 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+ -151:sc= 0.434 (180deg=-0.983) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -170:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -135:sc= 0.929 (180deg=0.118) USER MOD ----------------------------------------------------------------- ATOM 168 N PHE A 14 8.244 0.284 -21.704 1.00 0.00 N ATOM 169 CA PHE A 14 8.813 -0.098 -20.416 1.00 0.00 C ATOM 170 C PHE A 14 7.872 -1.032 -19.661 1.00 0.00 C ATOM 171 O PHE A 14 6.655 -0.846 -19.673 1.00 0.00 O ATOM 172 CB PHE A 14 9.101 1.146 -19.573 1.00 0.00 C ATOM 173 CG PHE A 14 10.102 2.075 -20.197 1.00 0.00 C ATOM 174 CD1 PHE A 14 9.705 3.012 -21.138 1.00 0.00 C ATOM 175 CD2 PHE A 14 11.441 2.011 -19.844 1.00 0.00 C ATOM 176 CE1 PHE A 14 10.624 3.869 -21.714 1.00 0.00 C ATOM 177 CE2 PHE A 14 12.364 2.866 -20.417 1.00 0.00 C ATOM 178 CZ PHE A 14 11.955 3.795 -21.354 1.00 0.00 C ATOM 0 HA PHE A 14 9.748 -0.627 -20.602 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.169 1.687 -19.408 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.467 0.835 -18.594 1.00 0.00 H new ATOM 0 HD1 PHE A 14 8.666 3.073 -21.425 1.00 0.00 H new ATOM 0 HD2 PHE A 14 11.767 1.285 -19.113 1.00 0.00 H new ATOM 0 HE1 PHE A 14 10.301 4.596 -22.445 1.00 0.00 H new ATOM 0 HE2 PHE A 14 13.404 2.808 -20.132 1.00 0.00 H new ATOM 0 HZ PHE A 14 12.675 4.462 -21.804 1.00 0.00 H new ATOM 188 N ILE A 15 8.445 -2.036 -19.006 1.00 0.00 N ATOM 189 CA ILE A 15 7.658 -2.998 -18.245 1.00 0.00 C ATOM 190 C ILE A 15 8.199 -3.153 -16.827 1.00 0.00 C ATOM 191 O ILE A 15 9.411 -3.196 -16.614 1.00 0.00 O ATOM 192 CB ILE A 15 7.640 -4.378 -18.929 1.00 0.00 C ATOM 193 CG1 ILE A 15 6.748 -5.346 -18.150 1.00 0.00 C ATOM 194 CG2 ILE A 15 9.054 -4.928 -19.046 1.00 0.00 C ATOM 195 CD1 ILE A 15 6.664 -6.723 -18.772 1.00 0.00 C ATOM 0 H ILE A 15 9.451 -2.204 -18.987 1.00 0.00 H new ATOM 0 HA ILE A 15 6.641 -2.609 -18.203 1.00 0.00 H new ATOM 0 HB ILE A 15 7.230 -4.265 -19.933 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.127 -5.438 -17.132 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.745 -4.926 -18.079 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.026 -5.904 -19.531 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.662 -4.245 -19.639 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.488 -5.030 -18.051 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.015 -7.356 -18.167 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.256 -6.643 -19.780 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.660 -7.163 -18.818 1.00 0.00 H new ATOM 207 N THR A 16 7.292 -3.238 -15.859 1.00 0.00 N ATOM 208 CA THR A 16 7.677 -3.389 -14.462 1.00 0.00 C ATOM 209 C THR A 16 8.449 -4.685 -14.241 1.00 0.00 C ATOM 210 O THR A 16 8.366 -5.612 -15.045 1.00 0.00 O ATOM 211 CB THR A 16 6.447 -3.372 -13.535 1.00 0.00 C ATOM 212 OG1 THR A 16 5.252 -3.226 -14.310 1.00 0.00 O ATOM 213 CG2 THR A 16 6.545 -2.238 -12.526 1.00 0.00 C ATOM 0 H THR A 16 6.285 -3.205 -16.017 1.00 0.00 H new ATOM 0 HA THR A 16 8.318 -2.542 -14.218 1.00 0.00 H new ATOM 0 HB THR A 16 6.415 -4.317 -12.993 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.474 -3.218 -13.714 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.665 -2.246 -11.883 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.440 -2.368 -11.918 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.600 -1.286 -13.053 1.00 0.00 H new ATOM 221 N GLY A 17 9.199 -4.742 -13.145 1.00 0.00 N ATOM 222 CA GLY A 17 9.974 -5.930 -12.838 1.00 0.00 C ATOM 223 C GLY A 17 9.103 -7.152 -12.627 1.00 0.00 C ATOM 224 O GLY A 17 9.122 -8.084 -13.431 1.00 0.00 O ATOM 0 H GLY A 17 9.284 -3.987 -12.464 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.675 -6.123 -13.650 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.567 -5.751 -11.941 1.00 0.00 H new ATOM 228 N VAL A 18 8.337 -7.151 -11.540 1.00 0.00 N ATOM 229 CA VAL A 18 7.455 -8.268 -11.225 1.00 0.00 C ATOM 230 C VAL A 18 6.559 -8.612 -12.409 1.00 0.00 C ATOM 231 O VAL A 18 6.275 -9.782 -12.667 1.00 0.00 O ATOM 232 CB VAL A 18 6.573 -7.959 -10.001 1.00 0.00 C ATOM 233 CG1 VAL A 18 5.690 -9.151 -9.664 1.00 0.00 C ATOM 234 CG2 VAL A 18 7.435 -7.570 -8.809 1.00 0.00 C ATOM 0 H VAL A 18 8.310 -6.389 -10.863 1.00 0.00 H new ATOM 0 HA VAL A 18 8.094 -9.121 -10.997 1.00 0.00 H new ATOM 0 HB VAL A 18 5.926 -7.116 -10.244 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.074 -8.914 -8.797 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.047 -9.379 -10.514 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.315 -10.015 -9.440 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.796 -7.355 -7.953 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.107 -8.392 -8.563 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.020 -6.684 -9.057 1.00 0.00 H new ATOM 244 N ARG A 19 6.117 -7.585 -13.127 1.00 0.00 N ATOM 245 CA ARG A 19 5.252 -7.779 -14.285 1.00 0.00 C ATOM 246 C ARG A 19 5.888 -8.740 -15.285 1.00 0.00 C ATOM 247 O ARG A 19 5.196 -9.520 -15.938 1.00 0.00 O ATOM 248 CB ARG A 19 4.963 -6.438 -14.962 1.00 0.00 C ATOM 249 CG ARG A 19 3.509 -6.007 -14.866 1.00 0.00 C ATOM 250 CD ARG A 19 2.660 -6.666 -15.943 1.00 0.00 C ATOM 251 NE ARG A 19 1.389 -7.155 -15.415 1.00 0.00 N ATOM 252 CZ ARG A 19 0.348 -7.467 -16.178 1.00 0.00 C ATOM 253 NH1 ARG A 19 0.427 -7.342 -17.496 1.00 0.00 N ATOM 254 NH2 ARG A 19 -0.775 -7.905 -15.624 1.00 0.00 N ATOM 0 H ARG A 19 6.343 -6.611 -12.928 1.00 0.00 H new ATOM 0 HA ARG A 19 4.314 -8.213 -13.938 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.591 -5.670 -14.510 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.245 -6.503 -16.013 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.116 -6.265 -13.883 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.443 -4.923 -14.961 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.469 -5.950 -16.743 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.213 -7.496 -16.383 1.00 0.00 H new ATOM 0 HE ARG A 19 1.296 -7.263 -14.405 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.289 -7.006 -17.926 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.374 -7.582 -18.080 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.840 -8.002 -14.611 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.574 -8.144 -16.211 1.00 0.00 H new ATOM 268 N ALA A 20 7.211 -8.676 -15.399 1.00 0.00 N ATOM 269 CA ALA A 20 7.941 -9.541 -16.318 1.00 0.00 C ATOM 270 C ALA A 20 8.266 -10.882 -15.668 1.00 0.00 C ATOM 271 O ALA A 20 8.382 -11.900 -16.351 1.00 0.00 O ATOM 272 CB ALA A 20 9.216 -8.856 -16.786 1.00 0.00 C ATOM 0 H ALA A 20 7.799 -8.034 -14.867 1.00 0.00 H new ATOM 0 HA ALA A 20 7.305 -9.731 -17.183 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.751 -9.513 -17.472 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.963 -7.927 -17.297 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.848 -8.637 -15.926 1.00 0.00 H new ATOM 278 N ILE A 21 8.412 -10.874 -14.348 1.00 0.00 N ATOM 279 CA ILE A 21 8.723 -12.091 -13.607 1.00 0.00 C ATOM 280 C ILE A 21 7.526 -13.034 -13.572 1.00 0.00 C ATOM 281 O ILE A 21 7.683 -14.248 -13.448 1.00 0.00 O ATOM 282 CB ILE A 21 9.156 -11.775 -12.163 1.00 0.00 C ATOM 283 CG1 ILE A 21 10.378 -10.854 -12.164 1.00 0.00 C ATOM 284 CG2 ILE A 21 9.456 -13.061 -11.407 1.00 0.00 C ATOM 285 CD1 ILE A 21 10.649 -10.209 -10.823 1.00 0.00 C ATOM 0 H ILE A 21 8.320 -10.039 -13.769 1.00 0.00 H new ATOM 0 HA ILE A 21 9.549 -12.576 -14.128 1.00 0.00 H new ATOM 0 HB ILE A 21 8.338 -11.262 -11.658 1.00 0.00 H new ATOM 0 HG12 ILE A 21 11.255 -11.427 -12.466 1.00 0.00 H new ATOM 0 HG13 ILE A 21 10.234 -10.074 -12.911 1.00 0.00 H new ATOM 0 HG21 ILE A 21 9.761 -12.822 -10.388 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.563 -13.685 -11.381 1.00 0.00 H new ATOM 0 HG23 ILE A 21 10.260 -13.599 -11.909 1.00 0.00 H new ATOM 0 HD11 ILE A 21 11.529 -9.570 -10.898 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.789 -9.609 -10.528 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.825 -10.983 -10.076 1.00 0.00 H new ATOM 297 N ASN A 22 6.329 -12.468 -13.684 1.00 0.00 N ATOM 298 CA ASN A 22 5.104 -13.259 -13.667 1.00 0.00 C ATOM 299 C ASN A 22 4.684 -13.643 -15.082 1.00 0.00 C ATOM 300 O ASN A 22 4.024 -14.660 -15.289 1.00 0.00 O ATOM 301 CB ASN A 22 3.979 -12.480 -12.983 1.00 0.00 C ATOM 302 CG ASN A 22 3.896 -12.768 -11.496 1.00 0.00 C ATOM 303 OD1 ASN A 22 2.955 -13.408 -11.028 1.00 0.00 O ATOM 304 ND2 ASN A 22 4.885 -12.295 -10.747 1.00 0.00 N ATOM 0 H ASN A 22 6.181 -11.464 -13.788 1.00 0.00 H new ATOM 0 HA ASN A 22 5.299 -14.172 -13.105 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.136 -11.412 -13.135 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.028 -12.733 -13.453 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.885 -12.457 -9.740 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.645 -11.769 -11.179 1.00 0.00 H new ATOM 311 N GLU A 23 5.073 -12.822 -16.053 1.00 0.00 N ATOM 312 CA GLU A 23 4.737 -13.076 -17.449 1.00 0.00 C ATOM 313 C GLU A 23 5.771 -13.990 -18.100 1.00 0.00 C ATOM 314 O GLU A 23 5.444 -15.079 -18.572 1.00 0.00 O ATOM 315 CB GLU A 23 4.645 -11.759 -18.222 1.00 0.00 C ATOM 316 CG GLU A 23 3.387 -10.963 -17.921 1.00 0.00 C ATOM 317 CD GLU A 23 2.264 -11.253 -18.899 1.00 0.00 C ATOM 318 OE1 GLU A 23 2.498 -11.144 -20.120 1.00 0.00 O ATOM 319 OE2 GLU A 23 1.152 -11.589 -18.441 1.00 0.00 O ATOM 0 H GLU A 23 5.621 -11.976 -15.898 1.00 0.00 H new ATOM 0 HA GLU A 23 3.768 -13.574 -17.478 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.516 -11.148 -17.987 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.684 -11.971 -19.290 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.051 -11.191 -16.910 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.620 -9.899 -17.947 1.00 0.00 H new ATOM 326 N PHE A 24 7.021 -13.538 -18.122 1.00 0.00 N ATOM 327 CA PHE A 24 8.103 -14.314 -18.716 1.00 0.00 C ATOM 328 C PHE A 24 8.492 -15.483 -17.816 1.00 0.00 C ATOM 329 O PHE A 24 9.163 -16.419 -18.252 1.00 0.00 O ATOM 330 CB PHE A 24 9.321 -13.421 -18.966 1.00 0.00 C ATOM 331 CG PHE A 24 9.064 -12.322 -19.957 1.00 0.00 C ATOM 332 CD1 PHE A 24 8.381 -11.177 -19.580 1.00 0.00 C ATOM 333 CD2 PHE A 24 9.506 -12.434 -21.265 1.00 0.00 C ATOM 334 CE1 PHE A 24 8.144 -10.163 -20.489 1.00 0.00 C ATOM 335 CE2 PHE A 24 9.272 -11.423 -22.179 1.00 0.00 C ATOM 336 CZ PHE A 24 8.590 -10.287 -21.790 1.00 0.00 C ATOM 0 H PHE A 24 7.309 -12.639 -17.736 1.00 0.00 H new ATOM 0 HA PHE A 24 7.751 -14.713 -19.667 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.639 -12.980 -18.021 1.00 0.00 H new ATOM 0 HB3 PHE A 24 10.146 -14.037 -19.324 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.030 -11.076 -18.564 1.00 0.00 H new ATOM 0 HD2 PHE A 24 10.039 -13.321 -21.574 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.611 -9.275 -20.182 1.00 0.00 H new ATOM 0 HE2 PHE A 24 9.622 -11.522 -23.196 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.406 -9.496 -22.502 1.00 0.00 H new ATOM 346 N CYS A 25 8.067 -15.422 -16.559 1.00 0.00 N ATOM 347 CA CYS A 25 8.371 -16.474 -15.597 1.00 0.00 C ATOM 348 C CYS A 25 9.878 -16.626 -15.416 1.00 0.00 C ATOM 349 O CYS A 25 10.466 -17.625 -15.832 1.00 0.00 O ATOM 350 CB CYS A 25 7.763 -17.802 -16.052 1.00 0.00 C ATOM 351 SG CYS A 25 6.092 -18.101 -15.430 1.00 0.00 S ATOM 0 H CYS A 25 7.511 -14.655 -16.182 1.00 0.00 H new ATOM 0 HA CYS A 25 7.935 -16.193 -14.639 1.00 0.00 H new ATOM 0 HB2 CYS A 25 7.743 -17.826 -17.142 1.00 0.00 H new ATOM 0 HB3 CYS A 25 8.411 -18.616 -15.727 1.00 0.00 H new ATOM 0 HG CYS A 25 5.663 -19.247 -15.871 1.00 0.00 H new ATOM 357 N LEU A 26 10.497 -15.630 -14.793 1.00 0.00 N ATOM 358 CA LEU A 26 11.936 -15.651 -14.558 1.00 0.00 C ATOM 359 C LEU A 26 12.245 -15.589 -13.065 1.00 0.00 C ATOM 360 O LEU A 26 11.347 -15.687 -12.229 1.00 0.00 O ATOM 361 CB LEU A 26 12.608 -14.481 -15.278 1.00 0.00 C ATOM 362 CG LEU A 26 12.243 -14.301 -16.752 1.00 0.00 C ATOM 363 CD1 LEU A 26 12.388 -12.844 -17.164 1.00 0.00 C ATOM 364 CD2 LEU A 26 13.108 -15.194 -17.629 1.00 0.00 C ATOM 0 H LEU A 26 10.025 -14.797 -14.441 1.00 0.00 H new ATOM 0 HA LEU A 26 12.330 -16.587 -14.954 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.358 -13.562 -14.748 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.688 -14.607 -15.205 1.00 0.00 H new ATOM 0 HG LEU A 26 11.202 -14.593 -16.887 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.124 -12.735 -18.216 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.725 -12.227 -16.558 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.419 -12.524 -17.014 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.834 -15.052 -18.674 1.00 0.00 H new ATOM 0 HD22 LEU A 26 14.157 -14.934 -17.490 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.953 -16.237 -17.351 1.00 0.00 H new ATOM 376 N LYS A 27 13.522 -15.423 -12.737 1.00 0.00 N ATOM 377 CA LYS A 27 13.951 -15.344 -11.345 1.00 0.00 C ATOM 378 C LYS A 27 14.166 -13.894 -10.924 1.00 0.00 C ATOM 379 O LYS A 27 14.552 -13.053 -11.736 1.00 0.00 O ATOM 380 CB LYS A 27 15.240 -16.143 -11.141 1.00 0.00 C ATOM 381 CG LYS A 27 15.126 -17.599 -11.557 1.00 0.00 C ATOM 382 CD LYS A 27 15.577 -18.533 -10.446 1.00 0.00 C ATOM 383 CE LYS A 27 14.656 -18.449 -9.239 1.00 0.00 C ATOM 384 NZ LYS A 27 15.040 -19.423 -8.180 1.00 0.00 N ATOM 0 H LYS A 27 14.278 -15.341 -13.416 1.00 0.00 H new ATOM 0 HA LYS A 27 13.164 -15.771 -10.723 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.042 -15.673 -11.710 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.524 -16.096 -10.090 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.093 -17.822 -11.824 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.730 -17.772 -12.447 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.599 -19.558 -10.817 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.594 -18.280 -10.147 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.684 -17.439 -8.831 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.629 -18.638 -9.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.388 -19.335 -7.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.989 -20.389 -8.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.011 -19.227 -7.863 1.00 0.00 H new ATOM 398 N SER A 28 13.916 -13.609 -9.650 1.00 0.00 N ATOM 399 CA SER A 28 14.080 -12.260 -9.122 1.00 0.00 C ATOM 400 C SER A 28 15.532 -11.806 -9.235 1.00 0.00 C ATOM 401 O SER A 28 15.813 -10.614 -9.361 1.00 0.00 O ATOM 402 CB SER A 28 13.628 -12.203 -7.662 1.00 0.00 C ATOM 403 OG SER A 28 12.508 -11.349 -7.508 1.00 0.00 O ATOM 0 H SER A 28 13.599 -14.295 -8.964 1.00 0.00 H new ATOM 0 HA SER A 28 13.460 -11.586 -9.713 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.375 -13.206 -7.317 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.448 -11.849 -7.038 1.00 0.00 H new ATOM 0 HG SER A 28 12.237 -11.331 -6.566 1.00 0.00 H new ATOM 409 N SER A 29 16.451 -12.765 -9.188 1.00 0.00 N ATOM 410 CA SER A 29 17.875 -12.465 -9.280 1.00 0.00 C ATOM 411 C SER A 29 18.276 -12.176 -10.724 1.00 0.00 C ATOM 412 O SER A 29 19.235 -11.446 -10.979 1.00 0.00 O ATOM 413 CB SER A 29 18.701 -13.631 -8.733 1.00 0.00 C ATOM 414 OG SER A 29 18.453 -13.827 -7.352 1.00 0.00 O ATOM 0 H SER A 29 16.235 -13.757 -9.087 1.00 0.00 H new ATOM 0 HA SER A 29 18.074 -11.577 -8.680 1.00 0.00 H new ATOM 0 HB2 SER A 29 18.459 -14.541 -9.282 1.00 0.00 H new ATOM 0 HB3 SER A 29 19.762 -13.435 -8.891 1.00 0.00 H new ATOM 0 HG SER A 29 18.991 -14.579 -7.026 1.00 0.00 H new ATOM 420 N ASP A 30 17.537 -12.754 -11.664 1.00 0.00 N ATOM 421 CA ASP A 30 17.813 -12.559 -13.082 1.00 0.00 C ATOM 422 C ASP A 30 17.470 -11.136 -13.512 1.00 0.00 C ATOM 423 O ASP A 30 18.269 -10.464 -14.165 1.00 0.00 O ATOM 424 CB ASP A 30 17.022 -13.564 -13.921 1.00 0.00 C ATOM 425 CG ASP A 30 17.622 -14.955 -13.877 1.00 0.00 C ATOM 426 OD1 ASP A 30 18.780 -15.087 -13.428 1.00 0.00 O ATOM 427 OD2 ASP A 30 16.935 -15.912 -14.292 1.00 0.00 O ATOM 0 H ASP A 30 16.741 -13.362 -11.469 1.00 0.00 H new ATOM 0 HA ASP A 30 18.878 -12.721 -13.245 1.00 0.00 H new ATOM 0 HB2 ASP A 30 15.994 -13.604 -13.561 1.00 0.00 H new ATOM 0 HB3 ASP A 30 16.985 -13.220 -14.955 1.00 0.00 H new ATOM 432 N LEU A 31 16.277 -10.684 -13.142 1.00 0.00 N ATOM 433 CA LEU A 31 15.827 -9.340 -13.491 1.00 0.00 C ATOM 434 C LEU A 31 16.845 -8.294 -13.050 1.00 0.00 C ATOM 435 O LEU A 31 17.325 -7.502 -13.860 1.00 0.00 O ATOM 436 CB LEU A 31 14.471 -9.053 -12.845 1.00 0.00 C ATOM 437 CG LEU A 31 13.242 -9.504 -13.635 1.00 0.00 C ATOM 438 CD1 LEU A 31 13.060 -8.645 -14.876 1.00 0.00 C ATOM 439 CD2 LEU A 31 13.362 -10.973 -14.013 1.00 0.00 C ATOM 0 H LEU A 31 15.604 -11.227 -12.601 1.00 0.00 H new ATOM 0 HA LEU A 31 15.725 -9.286 -14.575 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.447 -9.536 -11.868 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.393 -7.980 -12.672 1.00 0.00 H new ATOM 0 HG LEU A 31 12.362 -9.382 -13.003 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.181 -8.981 -15.425 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.928 -7.604 -14.582 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.941 -8.733 -15.512 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.479 -11.277 -14.575 1.00 0.00 H new ATOM 0 HD22 LEU A 31 14.251 -11.119 -14.627 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.442 -11.576 -13.109 1.00 0.00 H new ATOM 451 N GLU A 32 17.171 -8.298 -11.761 1.00 0.00 N ATOM 452 CA GLU A 32 18.134 -7.349 -11.214 1.00 0.00 C ATOM 453 C GLU A 32 19.459 -7.424 -11.967 1.00 0.00 C ATOM 454 O GLU A 32 20.207 -6.448 -12.025 1.00 0.00 O ATOM 455 CB GLU A 32 18.364 -7.623 -9.726 1.00 0.00 C ATOM 456 CG GLU A 32 19.021 -8.965 -9.449 1.00 0.00 C ATOM 457 CD GLU A 32 19.557 -9.070 -8.034 1.00 0.00 C ATOM 458 OE1 GLU A 32 19.146 -8.256 -7.181 1.00 0.00 O ATOM 459 OE2 GLU A 32 20.388 -9.967 -7.781 1.00 0.00 O ATOM 0 H GLU A 32 16.783 -8.947 -11.077 1.00 0.00 H new ATOM 0 HA GLU A 32 17.725 -6.346 -11.332 1.00 0.00 H new ATOM 0 HB2 GLU A 32 18.987 -6.830 -9.311 1.00 0.00 H new ATOM 0 HB3 GLU A 32 17.407 -7.582 -9.205 1.00 0.00 H new ATOM 0 HG2 GLU A 32 18.297 -9.762 -9.620 1.00 0.00 H new ATOM 0 HG3 GLU A 32 19.837 -9.119 -10.155 1.00 0.00 H new ATOM 466 N GLN A 33 19.742 -8.588 -12.542 1.00 0.00 N ATOM 467 CA GLN A 33 20.977 -8.790 -13.290 1.00 0.00 C ATOM 468 C GLN A 33 21.010 -7.909 -14.535 1.00 0.00 C ATOM 469 O GLN A 33 22.081 -7.551 -15.027 1.00 0.00 O ATOM 470 CB GLN A 33 21.123 -10.260 -13.687 1.00 0.00 C ATOM 471 CG GLN A 33 22.566 -10.700 -13.871 1.00 0.00 C ATOM 472 CD GLN A 33 22.930 -11.887 -13.000 1.00 0.00 C ATOM 473 OE1 GLN A 33 23.329 -11.725 -11.846 1.00 0.00 O ATOM 474 NE2 GLN A 33 22.795 -13.088 -13.549 1.00 0.00 N ATOM 0 H GLN A 33 19.133 -9.405 -12.504 1.00 0.00 H new ATOM 0 HA GLN A 33 21.811 -8.510 -12.647 1.00 0.00 H new ATOM 0 HB2 GLN A 33 20.657 -10.882 -12.923 1.00 0.00 H new ATOM 0 HB3 GLN A 33 20.578 -10.433 -14.615 1.00 0.00 H new ATOM 0 HG2 GLN A 33 22.733 -10.957 -14.917 1.00 0.00 H new ATOM 0 HG3 GLN A 33 23.229 -9.866 -13.638 1.00 0.00 H new ATOM 0 HE21 GLN A 33 22.461 -13.175 -14.509 1.00 0.00 H new ATOM 0 HE22 GLN A 33 23.025 -13.923 -13.011 1.00 0.00 H new ATOM 483 N LEU A 34 19.831 -7.564 -15.040 1.00 0.00 N ATOM 484 CA LEU A 34 19.724 -6.725 -16.229 1.00 0.00 C ATOM 485 C LEU A 34 20.038 -5.270 -15.898 1.00 0.00 C ATOM 486 O LEU A 34 20.363 -4.938 -14.757 1.00 0.00 O ATOM 487 CB LEU A 34 18.321 -6.832 -16.829 1.00 0.00 C ATOM 488 CG LEU A 34 17.878 -8.233 -17.253 1.00 0.00 C ATOM 489 CD1 LEU A 34 16.373 -8.273 -17.469 1.00 0.00 C ATOM 490 CD2 LEU A 34 18.611 -8.665 -18.514 1.00 0.00 C ATOM 0 H LEU A 34 18.936 -7.852 -14.645 1.00 0.00 H new ATOM 0 HA LEU A 34 20.452 -7.078 -16.959 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.606 -6.452 -16.100 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.268 -6.177 -17.699 1.00 0.00 H new ATOM 0 HG LEU A 34 18.129 -8.931 -16.454 1.00 0.00 H new ATOM 0 HD11 LEU A 34 16.075 -9.277 -17.770 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.865 -8.007 -16.542 1.00 0.00 H new ATOM 0 HD13 LEU A 34 16.099 -7.564 -18.250 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.283 -9.664 -18.801 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.391 -7.965 -19.320 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.684 -8.675 -18.325 1.00 0.00 H new ATOM 502 N ARG A 35 19.938 -4.405 -16.902 1.00 0.00 N ATOM 503 CA ARG A 35 20.210 -2.984 -16.717 1.00 0.00 C ATOM 504 C ARG A 35 19.148 -2.338 -15.832 1.00 0.00 C ATOM 505 O ARG A 35 17.964 -2.328 -16.169 1.00 0.00 O ATOM 506 CB ARG A 35 20.263 -2.273 -18.070 1.00 0.00 C ATOM 507 CG ARG A 35 21.581 -1.564 -18.334 1.00 0.00 C ATOM 508 CD ARG A 35 21.984 -1.663 -19.797 1.00 0.00 C ATOM 509 NE ARG A 35 22.914 -2.763 -20.036 1.00 0.00 N ATOM 510 CZ ARG A 35 24.172 -2.768 -19.609 1.00 0.00 C ATOM 511 NH1 ARG A 35 24.648 -1.737 -18.926 1.00 0.00 N ATOM 512 NH2 ARG A 35 24.956 -3.807 -19.866 1.00 0.00 N ATOM 0 H ARG A 35 19.671 -4.663 -17.852 1.00 0.00 H new ATOM 0 HA ARG A 35 21.177 -2.886 -16.225 1.00 0.00 H new ATOM 0 HB2 ARG A 35 20.087 -3.002 -18.861 1.00 0.00 H new ATOM 0 HB3 ARG A 35 19.452 -1.546 -18.121 1.00 0.00 H new ATOM 0 HG2 ARG A 35 21.495 -0.515 -18.050 1.00 0.00 H new ATOM 0 HG3 ARG A 35 22.361 -2.000 -17.710 1.00 0.00 H new ATOM 0 HD2 ARG A 35 21.093 -1.802 -20.410 1.00 0.00 H new ATOM 0 HD3 ARG A 35 22.443 -0.726 -20.111 1.00 0.00 H new ATOM 0 HE ARG A 35 22.579 -3.572 -20.560 1.00 0.00 H new ATOM 0 HH11 ARG A 35 24.048 -0.937 -18.727 1.00 0.00 H new ATOM 0 HH12 ARG A 35 25.614 -1.744 -18.600 1.00 0.00 H new ATOM 0 HH21 ARG A 35 24.593 -4.602 -20.392 1.00 0.00 H new ATOM 0 HH22 ARG A 35 25.922 -3.811 -19.538 1.00 0.00 H new ATOM 526 N LYS A 36 19.580 -1.798 -14.697 1.00 0.00 N ATOM 527 CA LYS A 36 18.669 -1.149 -13.763 1.00 0.00 C ATOM 528 C LYS A 36 18.291 0.246 -14.252 1.00 0.00 C ATOM 529 O LYS A 36 19.003 1.217 -13.997 1.00 0.00 O ATOM 530 CB LYS A 36 19.307 -1.058 -12.375 1.00 0.00 C ATOM 531 CG LYS A 36 18.970 -2.232 -11.472 1.00 0.00 C ATOM 532 CD LYS A 36 19.743 -3.480 -11.867 1.00 0.00 C ATOM 533 CE LYS A 36 21.233 -3.316 -11.611 1.00 0.00 C ATOM 534 NZ LYS A 36 22.003 -3.189 -12.880 1.00 0.00 N ATOM 0 H LYS A 36 20.556 -1.797 -14.402 1.00 0.00 H new ATOM 0 HA LYS A 36 17.763 -1.752 -13.701 1.00 0.00 H new ATOM 0 HB2 LYS A 36 20.390 -0.995 -12.485 1.00 0.00 H new ATOM 0 HB3 LYS A 36 18.981 -0.136 -11.894 1.00 0.00 H new ATOM 0 HG2 LYS A 36 19.198 -1.974 -10.438 1.00 0.00 H new ATOM 0 HG3 LYS A 36 17.900 -2.435 -11.521 1.00 0.00 H new ATOM 0 HD2 LYS A 36 19.368 -4.335 -11.305 1.00 0.00 H new ATOM 0 HD3 LYS A 36 19.575 -3.694 -12.922 1.00 0.00 H new ATOM 0 HE2 LYS A 36 21.401 -2.433 -10.995 1.00 0.00 H new ATOM 0 HE3 LYS A 36 21.601 -4.173 -11.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 22.964 -3.561 -12.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 21.527 -3.730 -13.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 22.056 -2.187 -13.155 1.00 0.00 H new ATOM 782 N VAL A 51 12.349 -0.141 -13.540 1.00 0.00 N ATOM 783 CA VAL A 51 11.801 -0.618 -14.804 1.00 0.00 C ATOM 784 C VAL A 51 12.875 -1.295 -15.648 1.00 0.00 C ATOM 785 O VAL A 51 14.056 -0.962 -15.552 1.00 0.00 O ATOM 786 CB VAL A 51 11.177 0.534 -15.615 1.00 0.00 C ATOM 787 CG1 VAL A 51 9.902 1.027 -14.947 1.00 0.00 C ATOM 788 CG2 VAL A 51 12.175 1.670 -15.781 1.00 0.00 C ATOM 0 HA VAL A 51 11.025 -1.343 -14.559 1.00 0.00 H new ATOM 0 HB VAL A 51 10.919 0.160 -16.606 1.00 0.00 H new ATOM 0 HG11 VAL A 51 9.475 1.841 -15.534 1.00 0.00 H new ATOM 0 HG12 VAL A 51 9.184 0.209 -14.885 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.132 1.385 -13.944 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.718 2.475 -16.356 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.466 2.045 -14.800 1.00 0.00 H new ATOM 0 HG23 VAL A 51 13.058 1.305 -16.306 1.00 0.00 H new ATOM 798 N TYR A 52 12.457 -2.246 -16.475 1.00 0.00 N ATOM 799 CA TYR A 52 13.383 -2.973 -17.335 1.00 0.00 C ATOM 800 C TYR A 52 12.981 -2.842 -18.801 1.00 0.00 C ATOM 801 O TYR A 52 11.821 -2.576 -19.118 1.00 0.00 O ATOM 802 CB TYR A 52 13.431 -4.449 -16.937 1.00 0.00 C ATOM 803 CG TYR A 52 13.871 -4.677 -15.509 1.00 0.00 C ATOM 804 CD1 TYR A 52 15.079 -4.171 -15.044 1.00 0.00 C ATOM 805 CD2 TYR A 52 13.080 -5.399 -14.624 1.00 0.00 C ATOM 806 CE1 TYR A 52 15.485 -4.377 -13.740 1.00 0.00 C ATOM 807 CE2 TYR A 52 13.477 -5.609 -13.318 1.00 0.00 C ATOM 808 CZ TYR A 52 14.681 -5.097 -12.881 1.00 0.00 C ATOM 809 OH TYR A 52 15.082 -5.305 -11.581 1.00 0.00 O ATOM 0 H TYR A 52 11.482 -2.532 -16.568 1.00 0.00 H new ATOM 0 HA TYR A 52 14.374 -2.538 -17.208 1.00 0.00 H new ATOM 0 HB2 TYR A 52 12.443 -4.887 -17.078 1.00 0.00 H new ATOM 0 HB3 TYR A 52 14.112 -4.975 -17.606 1.00 0.00 H new ATOM 0 HD1 TYR A 52 15.711 -3.607 -15.714 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.138 -5.803 -14.963 1.00 0.00 H new ATOM 0 HE1 TYR A 52 16.427 -3.977 -13.395 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.849 -6.171 -12.643 1.00 0.00 H new ATOM 0 HH TYR A 52 14.402 -5.829 -11.109 1.00 0.00 H new ATOM 819 N LEU A 53 13.949 -3.032 -19.692 1.00 0.00 N ATOM 820 CA LEU A 53 13.698 -2.937 -21.126 1.00 0.00 C ATOM 821 C LEU A 53 13.086 -4.229 -21.659 1.00 0.00 C ATOM 822 O LEU A 53 13.578 -5.322 -21.378 1.00 0.00 O ATOM 823 CB LEU A 53 14.997 -2.629 -21.871 1.00 0.00 C ATOM 824 CG LEU A 53 14.978 -1.392 -22.771 1.00 0.00 C ATOM 825 CD1 LEU A 53 13.887 -1.515 -23.823 1.00 0.00 C ATOM 826 CD2 LEU A 53 14.782 -0.132 -21.941 1.00 0.00 C ATOM 0 H LEU A 53 14.914 -3.253 -19.447 1.00 0.00 H new ATOM 0 HA LEU A 53 12.989 -2.126 -21.293 1.00 0.00 H new ATOM 0 HB2 LEU A 53 15.793 -2.507 -21.137 1.00 0.00 H new ATOM 0 HB3 LEU A 53 15.256 -3.494 -22.482 1.00 0.00 H new ATOM 0 HG LEU A 53 15.939 -1.321 -23.280 1.00 0.00 H new ATOM 0 HD11 LEU A 53 13.888 -0.626 -24.454 1.00 0.00 H new ATOM 0 HD12 LEU A 53 14.071 -2.396 -24.437 1.00 0.00 H new ATOM 0 HD13 LEU A 53 12.918 -1.611 -23.333 1.00 0.00 H new ATOM 0 HD21 LEU A 53 14.771 0.738 -22.597 1.00 0.00 H new ATOM 0 HD22 LEU A 53 13.835 -0.194 -21.404 1.00 0.00 H new ATOM 0 HD23 LEU A 53 15.599 -0.037 -21.226 1.00 0.00 H new ATOM 838 N ARG A 54 12.013 -4.095 -22.430 1.00 0.00 N ATOM 839 CA ARG A 54 11.335 -5.252 -23.004 1.00 0.00 C ATOM 840 C ARG A 54 12.309 -6.110 -23.806 1.00 0.00 C ATOM 841 O ARG A 54 12.136 -7.323 -23.917 1.00 0.00 O ATOM 842 CB ARG A 54 10.179 -4.800 -23.899 1.00 0.00 C ATOM 843 CG ARG A 54 9.159 -5.893 -24.173 1.00 0.00 C ATOM 844 CD ARG A 54 7.966 -5.359 -24.950 1.00 0.00 C ATOM 845 NE ARG A 54 6.983 -6.402 -25.229 1.00 0.00 N ATOM 846 CZ ARG A 54 5.865 -6.194 -25.916 1.00 0.00 C ATOM 847 NH1 ARG A 54 5.590 -4.987 -26.390 1.00 0.00 N ATOM 848 NH2 ARG A 54 5.020 -7.195 -26.129 1.00 0.00 N ATOM 0 H ARG A 54 11.594 -3.197 -22.672 1.00 0.00 H new ATOM 0 HA ARG A 54 10.938 -5.853 -22.186 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.676 -3.955 -23.430 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.582 -4.445 -24.847 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.630 -6.699 -24.736 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.819 -6.320 -23.229 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.493 -4.558 -24.382 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.310 -4.925 -25.889 1.00 0.00 H new ATOM 0 HE ARG A 54 7.165 -7.342 -24.877 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.237 -4.216 -26.228 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.731 -4.830 -26.917 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.229 -8.125 -25.765 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.162 -7.035 -26.657 1.00 0.00 H new ATOM 862 N SER A 55 13.332 -5.471 -24.364 1.00 0.00 N ATOM 863 CA SER A 55 14.331 -6.174 -25.160 1.00 0.00 C ATOM 864 C SER A 55 15.250 -7.004 -24.268 1.00 0.00 C ATOM 865 O SER A 55 15.807 -8.013 -24.700 1.00 0.00 O ATOM 866 CB SER A 55 15.157 -5.179 -25.977 1.00 0.00 C ATOM 867 OG SER A 55 14.413 -4.680 -27.076 1.00 0.00 O ATOM 0 H SER A 55 13.491 -4.467 -24.279 1.00 0.00 H new ATOM 0 HA SER A 55 13.809 -6.846 -25.841 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.470 -4.352 -25.340 1.00 0.00 H new ATOM 0 HB3 SER A 55 16.064 -5.664 -26.338 1.00 0.00 H new ATOM 0 HG SER A 55 14.962 -4.045 -27.581 1.00 0.00 H new ATOM 873 N ASP A 56 15.403 -6.570 -23.022 1.00 0.00 N ATOM 874 CA ASP A 56 16.253 -7.272 -22.067 1.00 0.00 C ATOM 875 C ASP A 56 15.552 -8.513 -21.524 1.00 0.00 C ATOM 876 O ASP A 56 16.104 -9.613 -21.550 1.00 0.00 O ATOM 877 CB ASP A 56 16.638 -6.343 -20.915 1.00 0.00 C ATOM 878 CG ASP A 56 17.730 -5.365 -21.299 1.00 0.00 C ATOM 879 OD1 ASP A 56 18.337 -5.546 -22.376 1.00 0.00 O ATOM 880 OD2 ASP A 56 17.980 -4.418 -20.524 1.00 0.00 O ATOM 0 H ASP A 56 14.950 -5.736 -22.649 1.00 0.00 H new ATOM 0 HA ASP A 56 17.158 -7.587 -22.587 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.757 -5.790 -20.589 1.00 0.00 H new ATOM 0 HB3 ASP A 56 16.972 -6.940 -20.067 1.00 0.00 H new ATOM 885 N VAL A 57 14.331 -8.329 -21.032 1.00 0.00 N ATOM 886 CA VAL A 57 13.553 -9.433 -20.483 1.00 0.00 C ATOM 887 C VAL A 57 13.298 -10.504 -21.537 1.00 0.00 C ATOM 888 O VAL A 57 13.267 -11.695 -21.231 1.00 0.00 O ATOM 889 CB VAL A 57 12.203 -8.945 -19.925 1.00 0.00 C ATOM 890 CG1 VAL A 57 11.455 -10.090 -19.259 1.00 0.00 C ATOM 891 CG2 VAL A 57 12.413 -7.796 -18.950 1.00 0.00 C ATOM 0 H VAL A 57 13.859 -7.425 -21.002 1.00 0.00 H new ATOM 0 HA VAL A 57 14.140 -9.861 -19.670 1.00 0.00 H new ATOM 0 HB VAL A 57 11.597 -8.581 -20.755 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.504 -9.726 -18.871 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.271 -10.878 -19.989 1.00 0.00 H new ATOM 0 HG13 VAL A 57 12.053 -10.487 -18.439 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.449 -7.464 -18.566 1.00 0.00 H new ATOM 0 HG22 VAL A 57 13.038 -8.131 -18.122 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.904 -6.969 -19.463 1.00 0.00 H new ATOM 901 N GLU A 58 13.117 -10.070 -22.781 1.00 0.00 N ATOM 902 CA GLU A 58 12.864 -10.993 -23.881 1.00 0.00 C ATOM 903 C GLU A 58 13.964 -12.048 -23.970 1.00 0.00 C ATOM 904 O GLU A 58 13.701 -13.245 -23.857 1.00 0.00 O ATOM 905 CB GLU A 58 12.766 -10.230 -25.204 1.00 0.00 C ATOM 906 CG GLU A 58 12.520 -11.126 -26.406 1.00 0.00 C ATOM 907 CD GLU A 58 12.464 -10.351 -27.709 1.00 0.00 C ATOM 908 OE1 GLU A 58 13.526 -9.878 -28.164 1.00 0.00 O ATOM 909 OE2 GLU A 58 11.358 -10.219 -28.273 1.00 0.00 O ATOM 0 H GLU A 58 13.141 -9.087 -23.051 1.00 0.00 H new ATOM 0 HA GLU A 58 11.916 -11.496 -23.689 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.959 -9.500 -25.134 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.689 -9.671 -25.361 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.311 -11.873 -26.466 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.583 -11.665 -26.267 1.00 0.00 H new ATOM 916 N ALA A 59 15.196 -11.594 -24.174 1.00 0.00 N ATOM 917 CA ALA A 59 16.335 -12.496 -24.277 1.00 0.00 C ATOM 918 C ALA A 59 16.517 -13.300 -22.994 1.00 0.00 C ATOM 919 O ALA A 59 16.854 -14.483 -23.032 1.00 0.00 O ATOM 920 CB ALA A 59 17.601 -11.715 -24.596 1.00 0.00 C ATOM 0 H ALA A 59 15.430 -10.606 -24.271 1.00 0.00 H new ATOM 0 HA ALA A 59 16.139 -13.196 -25.089 1.00 0.00 H new ATOM 0 HB1 ALA A 59 18.444 -12.402 -24.670 1.00 0.00 H new ATOM 0 HB2 ALA A 59 17.476 -11.191 -25.544 1.00 0.00 H new ATOM 0 HB3 ALA A 59 17.792 -10.991 -23.803 1.00 0.00 H new ATOM 926 N LYS A 60 16.293 -12.649 -21.857 1.00 0.00 N ATOM 927 CA LYS A 60 16.431 -13.302 -20.561 1.00 0.00 C ATOM 928 C LYS A 60 15.554 -14.548 -20.483 1.00 0.00 C ATOM 929 O LYS A 60 15.855 -15.485 -19.745 1.00 0.00 O ATOM 930 CB LYS A 60 16.060 -12.333 -19.436 1.00 0.00 C ATOM 931 CG LYS A 60 16.204 -12.929 -18.047 1.00 0.00 C ATOM 932 CD LYS A 60 17.647 -13.303 -17.748 1.00 0.00 C ATOM 933 CE LYS A 60 18.528 -12.069 -17.626 1.00 0.00 C ATOM 934 NZ LYS A 60 19.617 -12.064 -18.642 1.00 0.00 N ATOM 0 H LYS A 60 16.015 -11.669 -21.807 1.00 0.00 H new ATOM 0 HA LYS A 60 17.472 -13.604 -20.444 1.00 0.00 H new ATOM 0 HB2 LYS A 60 16.690 -11.447 -19.509 1.00 0.00 H new ATOM 0 HB3 LYS A 60 15.030 -12.004 -19.576 1.00 0.00 H new ATOM 0 HG2 LYS A 60 15.851 -12.213 -17.304 1.00 0.00 H new ATOM 0 HG3 LYS A 60 15.573 -13.814 -17.962 1.00 0.00 H new ATOM 0 HD2 LYS A 60 17.691 -13.876 -16.822 1.00 0.00 H new ATOM 0 HD3 LYS A 60 18.029 -13.947 -18.540 1.00 0.00 H new ATOM 0 HE2 LYS A 60 17.918 -11.174 -17.743 1.00 0.00 H new ATOM 0 HE3 LYS A 60 18.963 -12.030 -16.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 20.196 -11.208 -18.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 20.215 -12.905 -18.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 19.202 -12.076 -19.596 1.00 0.00 H new ATOM 948 N SER A 61 14.469 -14.551 -21.250 1.00 0.00 N ATOM 949 CA SER A 61 13.547 -15.680 -21.266 1.00 0.00 C ATOM 950 C SER A 61 14.045 -16.775 -22.205 1.00 0.00 C ATOM 951 O SER A 61 13.729 -17.952 -22.027 1.00 0.00 O ATOM 952 CB SER A 61 12.152 -15.221 -21.695 1.00 0.00 C ATOM 953 OG SER A 61 11.535 -16.181 -22.536 1.00 0.00 O ATOM 0 H SER A 61 14.207 -13.784 -21.869 1.00 0.00 H new ATOM 0 HA SER A 61 13.493 -16.087 -20.256 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.533 -15.054 -20.813 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.224 -14.268 -22.218 1.00 0.00 H new ATOM 0 HG SER A 61 10.719 -15.801 -22.923 1.00 0.00 H new ATOM 959 N LEU A 62 14.825 -16.379 -23.204 1.00 0.00 N ATOM 960 CA LEU A 62 15.369 -17.325 -24.172 1.00 0.00 C ATOM 961 C LEU A 62 16.634 -17.987 -23.635 1.00 0.00 C ATOM 962 O LEU A 62 16.907 -19.151 -23.925 1.00 0.00 O ATOM 963 CB LEU A 62 15.671 -16.616 -25.493 1.00 0.00 C ATOM 964 CG LEU A 62 14.564 -15.714 -26.040 1.00 0.00 C ATOM 965 CD1 LEU A 62 14.949 -15.163 -27.404 1.00 0.00 C ATOM 966 CD2 LEU A 62 13.248 -16.474 -26.122 1.00 0.00 C ATOM 0 H LEU A 62 15.095 -15.409 -23.365 1.00 0.00 H new ATOM 0 HA LEU A 62 14.622 -18.100 -24.345 1.00 0.00 H new ATOM 0 HB2 LEU A 62 16.570 -16.014 -25.362 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.900 -17.372 -26.244 1.00 0.00 H new ATOM 0 HG LEU A 62 14.434 -14.875 -25.356 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.149 -14.524 -27.777 1.00 0.00 H new ATOM 0 HD12 LEU A 62 15.867 -14.582 -27.316 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.107 -15.988 -28.098 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.472 -15.816 -26.513 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.364 -17.332 -26.784 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.964 -16.819 -25.128 1.00 0.00 H new ATOM 978 N GLU A 63 17.401 -17.236 -22.850 1.00 0.00 N ATOM 979 CA GLU A 63 18.636 -17.752 -22.273 1.00 0.00 C ATOM 980 C GLU A 63 18.341 -18.726 -21.136 1.00 0.00 C ATOM 981 O GLU A 63 19.151 -19.599 -20.824 1.00 0.00 O ATOM 982 CB GLU A 63 19.504 -16.601 -21.759 1.00 0.00 C ATOM 983 CG GLU A 63 18.965 -15.947 -20.498 1.00 0.00 C ATOM 984 CD GLU A 63 19.748 -16.335 -19.259 1.00 0.00 C ATOM 985 OE1 GLU A 63 19.871 -17.548 -18.990 1.00 0.00 O ATOM 986 OE2 GLU A 63 20.238 -15.425 -18.559 1.00 0.00 O ATOM 0 H GLU A 63 17.189 -16.270 -22.600 1.00 0.00 H new ATOM 0 HA GLU A 63 19.176 -18.286 -23.055 1.00 0.00 H new ATOM 0 HB2 GLU A 63 20.509 -16.975 -21.563 1.00 0.00 H new ATOM 0 HB3 GLU A 63 19.591 -15.846 -22.541 1.00 0.00 H new ATOM 0 HG2 GLU A 63 18.991 -14.864 -20.615 1.00 0.00 H new ATOM 0 HG3 GLU A 63 17.920 -16.228 -20.366 1.00 0.00 H new ATOM 993 N VAL A 64 17.173 -18.570 -20.519 1.00 0.00 N ATOM 994 CA VAL A 64 16.769 -19.435 -19.418 1.00 0.00 C ATOM 995 C VAL A 64 15.984 -20.640 -19.924 1.00 0.00 C ATOM 996 O VAL A 64 16.491 -21.762 -19.940 1.00 0.00 O ATOM 997 CB VAL A 64 15.911 -18.672 -18.391 1.00 0.00 C ATOM 998 CG1 VAL A 64 15.454 -19.605 -17.279 1.00 0.00 C ATOM 999 CG2 VAL A 64 16.685 -17.492 -17.823 1.00 0.00 C ATOM 0 H VAL A 64 16.491 -17.852 -20.764 1.00 0.00 H new ATOM 0 HA VAL A 64 17.683 -19.778 -18.934 1.00 0.00 H new ATOM 0 HB VAL A 64 15.026 -18.287 -18.897 1.00 0.00 H new ATOM 0 HG11 VAL A 64 14.849 -19.049 -16.563 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.860 -20.414 -17.704 1.00 0.00 H new ATOM 0 HG13 VAL A 64 16.325 -20.021 -16.772 1.00 0.00 H new ATOM 0 HG21 VAL A 64 16.064 -16.964 -17.099 1.00 0.00 H new ATOM 0 HG22 VAL A 64 17.589 -17.852 -17.331 1.00 0.00 H new ATOM 0 HG23 VAL A 64 16.958 -16.813 -18.631 1.00 0.00 H new ATOM 1009 N TRP A 65 14.746 -20.400 -20.339 1.00 0.00 N ATOM 1010 CA TRP A 65 13.890 -21.466 -20.847 1.00 0.00 C ATOM 1011 C TRP A 65 14.511 -22.124 -22.074 1.00 0.00 C ATOM 1012 O TRP A 65 14.239 -23.287 -22.371 1.00 0.00 O ATOM 1013 CB TRP A 65 12.506 -20.915 -21.195 1.00 0.00 C ATOM 1014 CG TRP A 65 11.606 -20.776 -20.005 1.00 0.00 C ATOM 1015 CD1 TRP A 65 11.389 -19.646 -19.269 1.00 0.00 C ATOM 1016 CD2 TRP A 65 10.804 -21.804 -19.413 1.00 0.00 C ATOM 1017 NE1 TRP A 65 10.500 -19.910 -18.255 1.00 0.00 N ATOM 1018 CE2 TRP A 65 10.125 -21.225 -18.322 1.00 0.00 C ATOM 1019 CE3 TRP A 65 10.590 -23.155 -19.699 1.00 0.00 C ATOM 1020 CZ2 TRP A 65 9.252 -21.954 -17.518 1.00 0.00 C ATOM 1021 CZ3 TRP A 65 9.723 -23.876 -18.900 1.00 0.00 C ATOM 1022 CH2 TRP A 65 9.062 -23.275 -17.821 1.00 0.00 C ATOM 0 H TRP A 65 14.312 -19.477 -20.334 1.00 0.00 H new ATOM 0 HA TRP A 65 13.788 -22.219 -20.066 1.00 0.00 H new ATOM 0 HB2 TRP A 65 12.620 -19.941 -21.671 1.00 0.00 H new ATOM 0 HB3 TRP A 65 12.033 -21.573 -21.924 1.00 0.00 H new ATOM 0 HD1 TRP A 65 11.848 -18.687 -19.456 1.00 0.00 H new ATOM 0 HE1 TRP A 65 10.172 -19.235 -17.564 1.00 0.00 H new ATOM 0 HE3 TRP A 65 11.093 -23.627 -20.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 8.743 -21.493 -16.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 9.552 -24.921 -19.111 1.00 0.00 H new ATOM 0 HH2 TRP A 65 8.389 -23.866 -17.217 1.00 0.00 H new ATOM 1033 N GLY A 66 15.349 -21.373 -22.783 1.00 0.00 N ATOM 1034 CA GLY A 66 15.996 -21.902 -23.970 1.00 0.00 C ATOM 1035 C GLY A 66 15.439 -21.307 -25.248 1.00 0.00 C ATOM 1036 O GLY A 66 16.191 -20.956 -26.156 1.00 0.00 O ATOM 0 H GLY A 66 15.591 -20.408 -22.557 1.00 0.00 H new ATOM 0 HA2 GLY A 66 17.066 -21.702 -23.916 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.875 -22.985 -23.994 1.00 0.00 H new ATOM 1040 N SER A 67 14.116 -21.196 -25.320 1.00 0.00 N ATOM 1041 CA SER A 67 13.458 -20.644 -26.498 1.00 0.00 C ATOM 1042 C SER A 67 12.141 -19.974 -26.122 1.00 0.00 C ATOM 1043 O SER A 67 11.567 -20.226 -25.062 1.00 0.00 O ATOM 1044 CB SER A 67 13.207 -21.746 -27.530 1.00 0.00 C ATOM 1045 OG SER A 67 13.340 -23.030 -26.947 1.00 0.00 O ATOM 0 H SER A 67 13.479 -21.481 -24.576 1.00 0.00 H new ATOM 0 HA SER A 67 14.116 -19.891 -26.932 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.207 -21.635 -27.949 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.912 -21.643 -28.355 1.00 0.00 H new ATOM 0 HG SER A 67 13.173 -23.717 -27.626 1.00 0.00 H new ATOM 1051 N PRO A 68 11.648 -19.098 -27.010 1.00 0.00 N ATOM 1052 CA PRO A 68 10.393 -18.373 -26.794 1.00 0.00 C ATOM 1053 C PRO A 68 9.175 -19.286 -26.873 1.00 0.00 C ATOM 1054 O PRO A 68 8.122 -18.981 -26.313 1.00 0.00 O ATOM 1055 CB PRO A 68 10.371 -17.353 -27.936 1.00 0.00 C ATOM 1056 CG PRO A 68 11.211 -17.963 -29.004 1.00 0.00 C ATOM 1057 CD PRO A 68 12.279 -18.748 -28.294 1.00 0.00 C ATOM 0 HA PRO A 68 10.348 -17.924 -25.802 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.355 -17.173 -28.286 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.773 -16.392 -27.616 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.615 -18.609 -29.648 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.650 -17.195 -29.641 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.566 -19.637 -28.856 1.00 0.00 H new ATOM 0 HD3 PRO A 68 13.183 -18.157 -28.149 1.00 0.00 H new ATOM 1065 N GLU A 69 9.326 -20.408 -27.570 1.00 0.00 N ATOM 1066 CA GLU A 69 8.237 -21.366 -27.721 1.00 0.00 C ATOM 1067 C GLU A 69 7.925 -22.049 -26.393 1.00 0.00 C ATOM 1068 O GLU A 69 6.803 -22.499 -26.163 1.00 0.00 O ATOM 1069 CB GLU A 69 8.593 -22.415 -28.776 1.00 0.00 C ATOM 1070 CG GLU A 69 8.541 -21.888 -30.201 1.00 0.00 C ATOM 1071 CD GLU A 69 7.763 -22.798 -31.131 1.00 0.00 C ATOM 1072 OE1 GLU A 69 6.617 -23.157 -30.788 1.00 0.00 O ATOM 1073 OE2 GLU A 69 8.300 -23.153 -32.201 1.00 0.00 O ATOM 0 H GLU A 69 10.191 -20.676 -28.039 1.00 0.00 H new ATOM 0 HA GLU A 69 7.351 -20.821 -28.046 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.594 -22.795 -28.575 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.908 -23.258 -28.684 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.085 -20.898 -30.202 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.557 -21.771 -30.579 1.00 0.00 H new ATOM 1080 N ALA A 70 8.927 -22.123 -25.523 1.00 0.00 N ATOM 1081 CA ALA A 70 8.760 -22.750 -24.218 1.00 0.00 C ATOM 1082 C ALA A 70 7.883 -21.898 -23.307 1.00 0.00 C ATOM 1083 O ALA A 70 7.074 -22.421 -22.540 1.00 0.00 O ATOM 1084 CB ALA A 70 10.116 -22.992 -23.572 1.00 0.00 C ATOM 0 H ALA A 70 9.863 -21.757 -25.698 1.00 0.00 H new ATOM 0 HA ALA A 70 8.262 -23.709 -24.364 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.976 -23.461 -22.598 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.710 -23.648 -24.208 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.634 -22.041 -23.446 1.00 0.00 H new ATOM 1090 N LEU A 71 8.048 -20.583 -23.397 1.00 0.00 N ATOM 1091 CA LEU A 71 7.270 -19.657 -22.580 1.00 0.00 C ATOM 1092 C LEU A 71 5.879 -19.447 -23.169 1.00 0.00 C ATOM 1093 O LEU A 71 4.892 -19.358 -22.439 1.00 0.00 O ATOM 1094 CB LEU A 71 7.996 -18.315 -22.466 1.00 0.00 C ATOM 1095 CG LEU A 71 7.218 -17.187 -21.786 1.00 0.00 C ATOM 1096 CD1 LEU A 71 7.112 -17.439 -20.290 1.00 0.00 C ATOM 1097 CD2 LEU A 71 7.879 -15.844 -22.057 1.00 0.00 C ATOM 0 H LEU A 71 8.713 -20.134 -24.027 1.00 0.00 H new ATOM 0 HA LEU A 71 7.161 -20.091 -21.586 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.924 -18.472 -21.916 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.271 -17.987 -23.468 1.00 0.00 H new ATOM 0 HG LEU A 71 6.211 -17.164 -22.202 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.555 -16.627 -19.823 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.593 -18.382 -20.116 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.111 -17.490 -19.858 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.312 -15.054 -21.566 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.898 -15.855 -21.669 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.902 -15.660 -23.131 1.00 0.00 H new ATOM 1109 N ALA A 72 5.808 -19.371 -24.494 1.00 0.00 N ATOM 1110 CA ALA A 72 4.538 -19.177 -25.181 1.00 0.00 C ATOM 1111 C ALA A 72 3.522 -20.236 -24.767 1.00 0.00 C ATOM 1112 O ALA A 72 2.314 -20.003 -24.812 1.00 0.00 O ATOM 1113 CB ALA A 72 4.744 -19.201 -26.689 1.00 0.00 C ATOM 0 H ALA A 72 6.616 -19.441 -25.113 1.00 0.00 H new ATOM 0 HA ALA A 72 4.144 -18.202 -24.895 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.787 -19.055 -27.189 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.429 -18.403 -26.975 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.164 -20.163 -26.984 1.00 0.00 H new ATOM 1119 N ARG A 73 4.019 -21.401 -24.365 1.00 0.00 N ATOM 1120 CA ARG A 73 3.154 -22.497 -23.945 1.00 0.00 C ATOM 1121 C ARG A 73 2.197 -22.044 -22.847 1.00 0.00 C ATOM 1122 O ARG A 73 1.024 -22.415 -22.842 1.00 0.00 O ATOM 1123 CB ARG A 73 3.994 -23.677 -23.450 1.00 0.00 C ATOM 1124 CG ARG A 73 4.911 -24.260 -24.512 1.00 0.00 C ATOM 1125 CD ARG A 73 4.428 -25.624 -24.978 1.00 0.00 C ATOM 1126 NE ARG A 73 4.898 -25.941 -26.324 1.00 0.00 N ATOM 1127 CZ ARG A 73 4.594 -27.065 -26.963 1.00 0.00 C ATOM 1128 NH1 ARG A 73 3.825 -27.975 -26.381 1.00 0.00 N ATOM 1129 NH2 ARG A 73 5.060 -27.281 -28.186 1.00 0.00 N ATOM 0 H ARG A 73 5.016 -21.610 -24.321 1.00 0.00 H new ATOM 0 HA ARG A 73 2.567 -22.814 -24.807 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.596 -23.353 -22.601 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.328 -24.460 -23.088 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.962 -23.581 -25.363 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.922 -24.348 -24.113 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.776 -26.388 -24.283 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.338 -25.648 -24.959 1.00 0.00 H new ATOM 0 HE ARG A 73 5.492 -25.262 -26.799 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.465 -27.813 -25.440 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.593 -28.837 -26.874 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.652 -26.584 -28.637 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.826 -28.145 -28.676 1.00 0.00 H new ATOM 1143 N GLU A 74 2.707 -21.240 -21.919 1.00 0.00 N ATOM 1144 CA GLU A 74 1.896 -20.738 -20.816 1.00 0.00 C ATOM 1145 C GLU A 74 1.216 -19.425 -21.194 1.00 0.00 C ATOM 1146 O GLU A 74 0.131 -19.111 -20.703 1.00 0.00 O ATOM 1147 CB GLU A 74 2.761 -20.537 -19.569 1.00 0.00 C ATOM 1148 CG GLU A 74 3.025 -21.819 -18.798 1.00 0.00 C ATOM 1149 CD GLU A 74 1.833 -22.259 -17.971 1.00 0.00 C ATOM 1150 OE1 GLU A 74 0.708 -21.798 -18.261 1.00 0.00 O ATOM 1151 OE2 GLU A 74 2.023 -23.063 -17.036 1.00 0.00 O ATOM 0 H GLU A 74 3.676 -20.923 -21.909 1.00 0.00 H new ATOM 0 HA GLU A 74 1.125 -21.477 -20.600 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.714 -20.098 -19.865 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.272 -19.821 -18.909 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.289 -22.612 -19.498 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.884 -21.674 -18.142 1.00 0.00 H new ATOM 1158 N LYS A 75 1.862 -18.662 -22.069 1.00 0.00 N ATOM 1159 CA LYS A 75 1.321 -17.383 -22.514 1.00 0.00 C ATOM 1160 C LYS A 75 0.020 -17.581 -23.286 1.00 0.00 C ATOM 1161 O LYS A 75 -0.922 -16.801 -23.146 1.00 0.00 O ATOM 1162 CB LYS A 75 2.341 -16.653 -23.392 1.00 0.00 C ATOM 1163 CG LYS A 75 3.698 -16.482 -22.733 1.00 0.00 C ATOM 1164 CD LYS A 75 4.064 -15.015 -22.580 1.00 0.00 C ATOM 1165 CE LYS A 75 3.297 -14.365 -21.439 1.00 0.00 C ATOM 1166 NZ LYS A 75 2.302 -13.373 -21.934 1.00 0.00 N ATOM 0 H LYS A 75 2.761 -18.907 -22.484 1.00 0.00 H new ATOM 0 HA LYS A 75 1.111 -16.779 -21.631 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.466 -17.204 -24.324 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.947 -15.671 -23.653 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.690 -16.960 -21.753 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.459 -16.987 -23.328 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.135 -14.923 -22.399 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.852 -14.487 -23.510 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.786 -15.134 -20.860 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.997 -13.872 -20.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.358 -12.508 -21.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.506 -13.142 -22.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.346 -13.775 -21.862 1.00 0.00 H new