USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=9 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= -0.228 USER MOD Single : A 22 ASN : amide:sc= -0.0879 K(o=-0.088,f=-1) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -149:sc= 0.00368 (180deg=-0.212) 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=-0.014) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot -87:sc= -0.396 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 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0165 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 168 N PHE A 14 8.134 0.590 -21.088 1.00 0.00 N ATOM 169 CA PHE A 14 8.990 -0.011 -20.071 1.00 0.00 C ATOM 170 C PHE A 14 8.203 -0.993 -19.209 1.00 0.00 C ATOM 171 O PHE A 14 6.986 -0.872 -19.065 1.00 0.00 O ATOM 172 CB PHE A 14 9.610 1.076 -19.191 1.00 0.00 C ATOM 173 CG PHE A 14 10.620 1.926 -19.908 1.00 0.00 C ATOM 174 CD1 PHE A 14 10.212 2.893 -20.813 1.00 0.00 C ATOM 175 CD2 PHE A 14 11.975 1.758 -19.678 1.00 0.00 C ATOM 176 CE1 PHE A 14 11.139 3.675 -21.475 1.00 0.00 C ATOM 177 CE2 PHE A 14 12.907 2.538 -20.337 1.00 0.00 C ATOM 178 CZ PHE A 14 12.488 3.499 -21.236 1.00 0.00 C ATOM 0 HA PHE A 14 9.786 -0.557 -20.577 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.817 1.716 -18.806 1.00 0.00 H new ATOM 0 HB3 PHE A 14 10.087 0.607 -18.331 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.159 3.037 -21.003 1.00 0.00 H new ATOM 0 HD2 PHE A 14 12.308 1.009 -18.975 1.00 0.00 H new ATOM 0 HE1 PHE A 14 10.809 4.424 -22.179 1.00 0.00 H new ATOM 0 HE2 PHE A 14 13.961 2.396 -20.149 1.00 0.00 H new ATOM 0 HZ PHE A 14 13.213 4.111 -21.751 1.00 0.00 H new ATOM 188 N ILE A 15 8.907 -1.964 -18.637 1.00 0.00 N ATOM 189 CA ILE A 15 8.275 -2.967 -17.788 1.00 0.00 C ATOM 190 C ILE A 15 9.144 -3.290 -16.578 1.00 0.00 C ATOM 191 O ILE A 15 10.307 -3.670 -16.718 1.00 0.00 O ATOM 192 CB ILE A 15 7.993 -4.266 -18.566 1.00 0.00 C ATOM 193 CG1 ILE A 15 7.359 -5.310 -17.645 1.00 0.00 C ATOM 194 CG2 ILE A 15 9.277 -4.804 -19.180 1.00 0.00 C ATOM 195 CD1 ILE A 15 7.037 -6.614 -18.341 1.00 0.00 C ATOM 0 H ILE A 15 9.915 -2.078 -18.746 1.00 0.00 H new ATOM 0 HA ILE A 15 7.329 -2.543 -17.450 1.00 0.00 H new ATOM 0 HB ILE A 15 7.292 -4.046 -19.371 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.036 -5.509 -16.814 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.444 -4.899 -17.219 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.062 -5.722 -19.727 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.692 -4.063 -19.864 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.999 -5.013 -18.390 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.590 -7.307 -17.628 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.336 -6.429 -19.155 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.953 -7.048 -18.743 1.00 0.00 H new ATOM 207 N THR A 16 8.572 -3.138 -15.388 1.00 0.00 N ATOM 208 CA THR A 16 9.295 -3.414 -14.152 1.00 0.00 C ATOM 209 C THR A 16 9.616 -4.898 -14.023 1.00 0.00 C ATOM 210 O THR A 16 8.990 -5.737 -14.670 1.00 0.00 O ATOM 211 CB THR A 16 8.489 -2.965 -12.918 1.00 0.00 C ATOM 212 OG1 THR A 16 9.149 -3.390 -11.721 1.00 0.00 O ATOM 213 CG2 THR A 16 7.079 -3.536 -12.956 1.00 0.00 C ATOM 0 H THR A 16 7.610 -2.825 -15.254 1.00 0.00 H new ATOM 0 HA THR A 16 10.225 -2.847 -14.196 1.00 0.00 H new ATOM 0 HB THR A 16 8.424 -1.877 -12.930 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.631 -3.099 -10.941 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.529 -3.206 -12.075 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.569 -3.187 -13.854 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.128 -4.625 -12.966 1.00 0.00 H new ATOM 221 N GLY A 17 10.595 -5.216 -13.181 1.00 0.00 N ATOM 222 CA GLY A 17 10.982 -6.601 -12.982 1.00 0.00 C ATOM 223 C GLY A 17 9.819 -7.471 -12.548 1.00 0.00 C ATOM 224 O GLY A 17 9.562 -8.518 -13.142 1.00 0.00 O ATOM 0 H GLY A 17 11.127 -4.540 -12.633 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.401 -6.995 -13.908 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.769 -6.651 -12.230 1.00 0.00 H new ATOM 228 N VAL A 18 9.113 -7.038 -11.508 1.00 0.00 N ATOM 229 CA VAL A 18 7.971 -7.784 -10.995 1.00 0.00 C ATOM 230 C VAL A 18 6.990 -8.124 -12.111 1.00 0.00 C ATOM 231 O VAL A 18 6.335 -9.166 -12.079 1.00 0.00 O ATOM 232 CB VAL A 18 7.232 -6.995 -9.898 1.00 0.00 C ATOM 233 CG1 VAL A 18 6.648 -5.711 -10.466 1.00 0.00 C ATOM 234 CG2 VAL A 18 6.144 -7.852 -9.267 1.00 0.00 C ATOM 0 H VAL A 18 9.313 -6.174 -11.004 1.00 0.00 H new ATOM 0 HA VAL A 18 8.362 -8.707 -10.567 1.00 0.00 H new ATOM 0 HB VAL A 18 7.948 -6.728 -9.121 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.130 -5.167 -9.677 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.451 -5.092 -10.867 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.944 -5.953 -11.263 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.632 -7.279 -8.494 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.427 -8.151 -10.032 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.593 -8.741 -8.823 1.00 0.00 H new ATOM 244 N ARG A 19 6.893 -7.238 -13.096 1.00 0.00 N ATOM 245 CA ARG A 19 5.991 -7.443 -14.223 1.00 0.00 C ATOM 246 C ARG A 19 6.535 -8.511 -15.168 1.00 0.00 C ATOM 247 O ARG A 19 5.775 -9.284 -15.750 1.00 0.00 O ATOM 248 CB ARG A 19 5.783 -6.132 -14.983 1.00 0.00 C ATOM 249 CG ARG A 19 4.744 -5.220 -14.352 1.00 0.00 C ATOM 250 CD ARG A 19 3.361 -5.463 -14.936 1.00 0.00 C ATOM 251 NE ARG A 19 2.316 -5.381 -13.920 1.00 0.00 N ATOM 252 CZ ARG A 19 1.021 -5.509 -14.186 1.00 0.00 C ATOM 253 NH1 ARG A 19 0.614 -5.723 -15.430 1.00 0.00 N ATOM 254 NH2 ARG A 19 0.129 -5.421 -13.207 1.00 0.00 N ATOM 0 H ARG A 19 7.428 -6.371 -13.137 1.00 0.00 H new ATOM 0 HA ARG A 19 5.033 -7.783 -13.831 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.733 -5.601 -15.041 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.482 -6.359 -16.006 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.719 -5.385 -13.275 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.029 -4.179 -14.508 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.164 -4.730 -15.719 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.334 -6.446 -15.406 1.00 0.00 H new ATOM 0 HE ARG A 19 2.596 -5.216 -12.953 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.296 -5.790 -16.185 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.381 -5.821 -15.631 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.438 -5.255 -12.249 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.865 -5.519 -13.413 1.00 0.00 H new ATOM 268 N ALA A 20 7.855 -8.546 -15.315 1.00 0.00 N ATOM 269 CA ALA A 20 8.501 -9.519 -16.187 1.00 0.00 C ATOM 270 C ALA A 20 8.566 -10.892 -15.526 1.00 0.00 C ATOM 271 O ALA A 20 8.507 -11.920 -16.201 1.00 0.00 O ATOM 272 CB ALA A 20 9.897 -9.046 -16.564 1.00 0.00 C ATOM 0 H ALA A 20 8.498 -7.912 -14.841 1.00 0.00 H new ATOM 0 HA ALA A 20 7.903 -9.610 -17.094 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.367 -9.783 -17.215 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.829 -8.091 -17.086 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.496 -8.925 -15.662 1.00 0.00 H new ATOM 278 N ILE A 21 8.688 -10.900 -14.203 1.00 0.00 N ATOM 279 CA ILE A 21 8.761 -12.147 -13.451 1.00 0.00 C ATOM 280 C ILE A 21 7.406 -12.844 -13.410 1.00 0.00 C ATOM 281 O ILE A 21 7.327 -14.061 -13.247 1.00 0.00 O ATOM 282 CB ILE A 21 9.246 -11.907 -12.009 1.00 0.00 C ATOM 283 CG1 ILE A 21 10.626 -11.246 -12.015 1.00 0.00 C ATOM 284 CG2 ILE A 21 9.284 -13.218 -11.238 1.00 0.00 C ATOM 285 CD1 ILE A 21 10.968 -10.551 -10.716 1.00 0.00 C ATOM 0 H ILE A 21 8.738 -10.058 -13.630 1.00 0.00 H new ATOM 0 HA ILE A 21 9.480 -12.785 -13.966 1.00 0.00 H new ATOM 0 HB ILE A 21 8.545 -11.236 -11.512 1.00 0.00 H new ATOM 0 HG12 ILE A 21 11.382 -12.003 -12.223 1.00 0.00 H new ATOM 0 HG13 ILE A 21 10.669 -10.521 -12.828 1.00 0.00 H new ATOM 0 HG21 ILE A 21 9.629 -13.032 -10.221 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.285 -13.652 -11.209 1.00 0.00 H new ATOM 0 HG23 ILE A 21 9.966 -13.911 -11.731 1.00 0.00 H new ATOM 0 HD11 ILE A 21 11.960 -10.105 -10.792 1.00 0.00 H new ATOM 0 HD12 ILE A 21 10.234 -9.771 -10.517 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.957 -11.276 -9.902 1.00 0.00 H new ATOM 297 N ASN A 22 6.340 -12.064 -13.562 1.00 0.00 N ATOM 298 CA ASN A 22 4.987 -12.607 -13.544 1.00 0.00 C ATOM 299 C ASN A 22 4.518 -12.947 -14.955 1.00 0.00 C ATOM 300 O ASN A 22 3.666 -13.814 -15.144 1.00 0.00 O ATOM 301 CB ASN A 22 4.022 -11.607 -12.902 1.00 0.00 C ATOM 302 CG ASN A 22 4.350 -11.342 -11.445 1.00 0.00 C ATOM 303 OD1 ASN A 22 5.073 -12.110 -10.810 1.00 0.00 O ATOM 304 ND2 ASN A 22 3.817 -10.251 -10.908 1.00 0.00 N ATOM 0 H ASN A 22 6.388 -11.054 -13.699 1.00 0.00 H new ATOM 0 HA ASN A 22 4.998 -13.523 -12.953 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.054 -10.669 -13.455 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.004 -11.988 -12.979 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.001 -10.021 -9.931 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.223 -9.643 -11.472 1.00 0.00 H new ATOM 311 N GLU A 23 5.083 -12.259 -15.942 1.00 0.00 N ATOM 312 CA GLU A 23 4.722 -12.489 -17.337 1.00 0.00 C ATOM 313 C GLU A 23 5.618 -13.555 -17.961 1.00 0.00 C ATOM 314 O GLU A 23 5.140 -14.595 -18.414 1.00 0.00 O ATOM 315 CB GLU A 23 4.827 -11.188 -18.135 1.00 0.00 C ATOM 316 CG GLU A 23 3.687 -10.219 -17.871 1.00 0.00 C ATOM 317 CD GLU A 23 3.589 -9.132 -18.925 1.00 0.00 C ATOM 318 OE1 GLU A 23 3.172 -9.444 -20.060 1.00 0.00 O ATOM 319 OE2 GLU A 23 3.930 -7.972 -18.615 1.00 0.00 O ATOM 0 H GLU A 23 5.792 -11.539 -15.802 1.00 0.00 H new ATOM 0 HA GLU A 23 3.691 -12.842 -17.366 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.771 -10.699 -17.895 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.852 -11.425 -19.199 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.747 -10.770 -17.835 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.825 -9.760 -16.892 1.00 0.00 H new ATOM 326 N PHE A 24 6.919 -13.288 -17.982 1.00 0.00 N ATOM 327 CA PHE A 24 7.882 -14.223 -18.553 1.00 0.00 C ATOM 328 C PHE A 24 8.090 -15.420 -17.630 1.00 0.00 C ATOM 329 O PHE A 24 8.621 -16.451 -18.043 1.00 0.00 O ATOM 330 CB PHE A 24 9.218 -13.521 -18.805 1.00 0.00 C ATOM 331 CG PHE A 24 9.139 -12.433 -19.837 1.00 0.00 C ATOM 332 CD1 PHE A 24 8.774 -11.145 -19.479 1.00 0.00 C ATOM 333 CD2 PHE A 24 9.428 -12.698 -21.166 1.00 0.00 C ATOM 334 CE1 PHE A 24 8.699 -10.142 -20.427 1.00 0.00 C ATOM 335 CE2 PHE A 24 9.355 -11.699 -22.119 1.00 0.00 C ATOM 336 CZ PHE A 24 8.991 -10.419 -21.748 1.00 0.00 C ATOM 0 H PHE A 24 7.331 -12.432 -17.610 1.00 0.00 H new ATOM 0 HA PHE A 24 7.484 -14.583 -19.502 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.578 -13.096 -17.868 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.953 -14.260 -19.124 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.545 -10.922 -18.447 1.00 0.00 H new ATOM 0 HD2 PHE A 24 9.714 -13.697 -21.461 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.412 -9.143 -20.135 1.00 0.00 H new ATOM 0 HE2 PHE A 24 9.582 -11.919 -23.152 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.935 -9.636 -22.490 1.00 0.00 H new ATOM 346 N CYS A 25 7.668 -15.275 -16.379 1.00 0.00 N ATOM 347 CA CYS A 25 7.809 -16.344 -15.396 1.00 0.00 C ATOM 348 C CYS A 25 9.279 -16.657 -15.140 1.00 0.00 C ATOM 349 O CYS A 25 9.712 -17.803 -15.265 1.00 0.00 O ATOM 350 CB CYS A 25 7.082 -17.602 -15.872 1.00 0.00 C ATOM 351 SG CYS A 25 6.406 -18.615 -14.535 1.00 0.00 S ATOM 0 H CYS A 25 7.226 -14.428 -16.021 1.00 0.00 H new ATOM 0 HA CYS A 25 7.361 -16.006 -14.462 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.270 -17.309 -16.538 1.00 0.00 H new ATOM 0 HB3 CYS A 25 7.773 -18.208 -16.459 1.00 0.00 H new ATOM 0 HG CYS A 25 5.809 -19.654 -15.038 1.00 0.00 H new ATOM 357 N LEU A 26 10.043 -15.631 -14.782 1.00 0.00 N ATOM 358 CA LEU A 26 11.467 -15.796 -14.509 1.00 0.00 C ATOM 359 C LEU A 26 11.752 -15.683 -13.015 1.00 0.00 C ATOM 360 O LEU A 26 10.833 -15.659 -12.196 1.00 0.00 O ATOM 361 CB LEU A 26 12.278 -14.749 -15.275 1.00 0.00 C ATOM 362 CG LEU A 26 11.928 -14.579 -16.754 1.00 0.00 C ATOM 363 CD1 LEU A 26 12.369 -13.212 -17.254 1.00 0.00 C ATOM 364 CD2 LEU A 26 12.567 -15.684 -17.583 1.00 0.00 C ATOM 0 H LEU A 26 9.701 -14.676 -14.674 1.00 0.00 H new ATOM 0 HA LEU A 26 11.763 -16.791 -14.842 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.151 -13.787 -14.779 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.334 -15.010 -15.200 1.00 0.00 H new ATOM 0 HG LEU A 26 10.846 -14.650 -16.862 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.111 -13.110 -18.308 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.865 -12.435 -16.680 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.447 -13.111 -17.132 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.308 -15.548 -18.633 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.650 -15.644 -17.469 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.201 -16.653 -17.242 1.00 0.00 H new ATOM 376 N LYS A 27 13.032 -15.612 -12.666 1.00 0.00 N ATOM 377 CA LYS A 27 13.440 -15.498 -11.271 1.00 0.00 C ATOM 378 C LYS A 27 13.741 -14.047 -10.909 1.00 0.00 C ATOM 379 O LYS A 27 14.143 -13.255 -11.762 1.00 0.00 O ATOM 380 CB LYS A 27 14.672 -16.367 -11.006 1.00 0.00 C ATOM 381 CG LYS A 27 14.338 -17.812 -10.678 1.00 0.00 C ATOM 382 CD LYS A 27 14.722 -18.745 -11.814 1.00 0.00 C ATOM 383 CE LYS A 27 16.160 -19.223 -11.679 1.00 0.00 C ATOM 384 NZ LYS A 27 17.114 -18.315 -12.374 1.00 0.00 N ATOM 0 H LYS A 27 13.805 -15.631 -13.331 1.00 0.00 H new ATOM 0 HA LYS A 27 12.616 -15.846 -10.648 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.319 -16.342 -11.883 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.238 -15.937 -10.180 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.861 -18.110 -9.769 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.271 -17.903 -10.476 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.051 -19.604 -11.824 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.596 -18.231 -12.767 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.424 -19.287 -10.623 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.249 -20.228 -12.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.926 -18.864 -12.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.636 -17.858 -13.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.447 -17.587 -11.710 1.00 0.00 H new ATOM 398 N SER A 28 13.546 -13.706 -9.639 1.00 0.00 N ATOM 399 CA SER A 28 13.794 -12.349 -9.165 1.00 0.00 C ATOM 400 C SER A 28 15.280 -12.011 -9.241 1.00 0.00 C ATOM 401 O SER A 28 15.656 -10.852 -9.413 1.00 0.00 O ATOM 402 CB SER A 28 13.296 -12.189 -7.728 1.00 0.00 C ATOM 403 OG SER A 28 14.027 -11.186 -7.043 1.00 0.00 O ATOM 0 H SER A 28 13.217 -14.350 -8.920 1.00 0.00 H new ATOM 0 HA SER A 28 13.248 -11.660 -9.809 1.00 0.00 H new ATOM 0 HB2 SER A 28 12.237 -11.932 -7.733 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.391 -13.137 -7.199 1.00 0.00 H new ATOM 0 HG SER A 28 13.688 -11.102 -6.127 1.00 0.00 H new ATOM 409 N SER A 29 16.121 -13.033 -9.111 1.00 0.00 N ATOM 410 CA SER A 29 17.566 -12.844 -9.161 1.00 0.00 C ATOM 411 C SER A 29 18.036 -12.627 -10.595 1.00 0.00 C ATOM 412 O SER A 29 19.063 -11.991 -10.834 1.00 0.00 O ATOM 413 CB SER A 29 18.280 -14.055 -8.556 1.00 0.00 C ATOM 414 OG SER A 29 17.982 -14.187 -7.177 1.00 0.00 O ATOM 0 H SER A 29 15.826 -13.999 -8.970 1.00 0.00 H new ATOM 0 HA SER A 29 17.812 -11.956 -8.578 1.00 0.00 H new ATOM 0 HB2 SER A 29 17.979 -14.960 -9.084 1.00 0.00 H new ATOM 0 HB3 SER A 29 19.357 -13.951 -8.690 1.00 0.00 H new ATOM 0 HG SER A 29 18.449 -14.969 -6.815 1.00 0.00 H new ATOM 420 N ASP A 30 17.278 -13.159 -11.547 1.00 0.00 N ATOM 421 CA ASP A 30 17.615 -13.022 -12.960 1.00 0.00 C ATOM 422 C ASP A 30 17.466 -11.575 -13.416 1.00 0.00 C ATOM 423 O ASP A 30 18.366 -11.014 -14.044 1.00 0.00 O ATOM 424 CB ASP A 30 16.726 -13.932 -13.808 1.00 0.00 C ATOM 425 CG ASP A 30 17.317 -15.317 -13.986 1.00 0.00 C ATOM 426 OD1 ASP A 30 18.364 -15.600 -13.366 1.00 0.00 O ATOM 427 OD2 ASP A 30 16.732 -16.119 -14.743 1.00 0.00 O ATOM 0 H ASP A 30 16.426 -13.689 -11.367 1.00 0.00 H new ATOM 0 HA ASP A 30 18.655 -13.319 -13.091 1.00 0.00 H new ATOM 0 HB2 ASP A 30 15.745 -14.016 -13.339 1.00 0.00 H new ATOM 0 HB3 ASP A 30 16.574 -13.477 -14.787 1.00 0.00 H new ATOM 432 N LEU A 31 16.324 -10.974 -13.099 1.00 0.00 N ATOM 433 CA LEU A 31 16.056 -9.591 -13.478 1.00 0.00 C ATOM 434 C LEU A 31 17.169 -8.668 -12.993 1.00 0.00 C ATOM 435 O LEU A 31 17.523 -7.701 -13.666 1.00 0.00 O ATOM 436 CB LEU A 31 14.714 -9.136 -12.904 1.00 0.00 C ATOM 437 CG LEU A 31 13.480 -9.449 -13.751 1.00 0.00 C ATOM 438 CD1 LEU A 31 13.476 -8.611 -15.019 1.00 0.00 C ATOM 439 CD2 LEU A 31 13.428 -10.932 -14.089 1.00 0.00 C ATOM 0 H LEU A 31 15.569 -11.423 -12.580 1.00 0.00 H new ATOM 0 HA LEU A 31 16.015 -9.539 -14.566 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.585 -9.598 -11.925 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.757 -8.059 -12.744 1.00 0.00 H new ATOM 0 HG LEU A 31 12.592 -9.197 -13.172 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.590 -8.848 -15.609 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.465 -7.553 -14.756 1.00 0.00 H new ATOM 0 HD13 LEU A 31 14.370 -8.830 -15.603 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.543 -11.137 -14.692 1.00 0.00 H new ATOM 0 HD22 LEU A 31 14.321 -11.209 -14.649 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.382 -11.514 -13.168 1.00 0.00 H new ATOM 451 N GLU A 32 17.718 -8.976 -11.822 1.00 0.00 N ATOM 452 CA GLU A 32 18.792 -8.174 -11.248 1.00 0.00 C ATOM 453 C GLU A 32 19.978 -8.088 -12.206 1.00 0.00 C ATOM 454 O GLU A 32 20.750 -7.131 -12.167 1.00 0.00 O ATOM 455 CB GLU A 32 19.244 -8.767 -9.912 1.00 0.00 C ATOM 456 CG GLU A 32 18.144 -8.817 -8.866 1.00 0.00 C ATOM 457 CD GLU A 32 18.284 -7.728 -7.819 1.00 0.00 C ATOM 458 OE1 GLU A 32 18.916 -6.694 -8.121 1.00 0.00 O ATOM 459 OE2 GLU A 32 17.762 -7.910 -6.700 1.00 0.00 O ATOM 0 H GLU A 32 17.437 -9.774 -11.253 1.00 0.00 H new ATOM 0 HA GLU A 32 18.409 -7.168 -11.079 1.00 0.00 H new ATOM 0 HB2 GLU A 32 19.620 -9.776 -10.081 1.00 0.00 H new ATOM 0 HB3 GLU A 32 20.075 -8.178 -9.525 1.00 0.00 H new ATOM 0 HG2 GLU A 32 17.176 -8.721 -9.357 1.00 0.00 H new ATOM 0 HG3 GLU A 32 18.158 -9.791 -8.376 1.00 0.00 H new ATOM 466 N GLN A 33 20.114 -9.095 -13.062 1.00 0.00 N ATOM 467 CA GLN A 33 21.205 -9.134 -14.028 1.00 0.00 C ATOM 468 C GLN A 33 21.025 -8.060 -15.096 1.00 0.00 C ATOM 469 O GLN A 33 22.000 -7.549 -15.648 1.00 0.00 O ATOM 470 CB GLN A 33 21.285 -10.514 -14.683 1.00 0.00 C ATOM 471 CG GLN A 33 22.688 -10.895 -15.129 1.00 0.00 C ATOM 472 CD GLN A 33 23.364 -11.856 -14.171 1.00 0.00 C ATOM 473 OE1 GLN A 33 22.933 -12.999 -14.013 1.00 0.00 O ATOM 474 NE2 GLN A 33 24.429 -11.396 -13.524 1.00 0.00 N ATOM 0 H GLN A 33 19.482 -9.895 -13.106 1.00 0.00 H new ATOM 0 HA GLN A 33 22.136 -8.938 -13.496 1.00 0.00 H new ATOM 0 HB2 GLN A 33 20.920 -11.263 -13.980 1.00 0.00 H new ATOM 0 HB3 GLN A 33 20.620 -10.537 -15.546 1.00 0.00 H new ATOM 0 HG2 GLN A 33 22.640 -11.349 -16.119 1.00 0.00 H new ATOM 0 HG3 GLN A 33 23.293 -9.993 -15.221 1.00 0.00 H new ATOM 0 HE21 GLN A 33 24.751 -10.442 -13.686 1.00 0.00 H new ATOM 0 HE22 GLN A 33 24.925 -11.997 -12.865 1.00 0.00 H new ATOM 483 N LEU A 34 19.773 -7.723 -15.383 1.00 0.00 N ATOM 484 CA LEU A 34 19.464 -6.709 -16.386 1.00 0.00 C ATOM 485 C LEU A 34 19.840 -5.318 -15.888 1.00 0.00 C ATOM 486 O LEU A 34 20.233 -5.146 -14.734 1.00 0.00 O ATOM 487 CB LEU A 34 17.977 -6.752 -16.743 1.00 0.00 C ATOM 488 CG LEU A 34 17.461 -8.074 -17.312 1.00 0.00 C ATOM 489 CD1 LEU A 34 15.944 -8.137 -17.224 1.00 0.00 C ATOM 490 CD2 LEU A 34 17.921 -8.249 -18.752 1.00 0.00 C ATOM 0 H LEU A 34 18.955 -8.137 -14.936 1.00 0.00 H new ATOM 0 HA LEU A 34 20.051 -6.926 -17.278 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.402 -6.516 -15.848 1.00 0.00 H new ATOM 0 HB3 LEU A 34 17.775 -5.964 -17.468 1.00 0.00 H new ATOM 0 HG LEU A 34 17.873 -8.890 -16.718 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.595 -9.085 -17.634 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.636 -8.057 -16.181 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.512 -7.314 -17.794 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.545 -9.195 -19.142 1.00 0.00 H new ATOM 0 HD22 LEU A 34 17.538 -7.429 -19.359 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.010 -8.249 -18.789 1.00 0.00 H new ATOM 502 N ARG A 35 19.713 -4.327 -16.764 1.00 0.00 N ATOM 503 CA ARG A 35 20.039 -2.949 -16.412 1.00 0.00 C ATOM 504 C ARG A 35 18.824 -2.237 -15.825 1.00 0.00 C ATOM 505 O ARG A 35 17.811 -2.053 -16.501 1.00 0.00 O ATOM 506 CB ARG A 35 20.542 -2.192 -17.642 1.00 0.00 C ATOM 507 CG ARG A 35 21.678 -1.228 -17.341 1.00 0.00 C ATOM 508 CD ARG A 35 22.354 -0.748 -18.616 1.00 0.00 C ATOM 509 NE ARG A 35 22.686 0.673 -18.557 1.00 0.00 N ATOM 510 CZ ARG A 35 23.734 1.156 -17.899 1.00 0.00 C ATOM 511 NH1 ARG A 35 24.548 0.337 -17.248 1.00 0.00 N ATOM 512 NH2 ARG A 35 23.971 2.462 -17.892 1.00 0.00 N ATOM 0 H ARG A 35 19.387 -4.452 -17.722 1.00 0.00 H new ATOM 0 HA ARG A 35 20.827 -2.969 -15.659 1.00 0.00 H new ATOM 0 HB2 ARG A 35 20.876 -2.912 -18.390 1.00 0.00 H new ATOM 0 HB3 ARG A 35 19.713 -1.637 -18.081 1.00 0.00 H new ATOM 0 HG2 ARG A 35 21.293 -0.372 -16.788 1.00 0.00 H new ATOM 0 HG3 ARG A 35 22.412 -1.717 -16.701 1.00 0.00 H new ATOM 0 HD2 ARG A 35 23.263 -1.326 -18.784 1.00 0.00 H new ATOM 0 HD3 ARG A 35 21.697 -0.932 -19.466 1.00 0.00 H new ATOM 0 HE ARG A 35 22.080 1.330 -19.048 1.00 0.00 H new ATOM 0 HH11 ARG A 35 24.371 -0.667 -17.251 1.00 0.00 H new ATOM 0 HH12 ARG A 35 25.352 0.711 -16.744 1.00 0.00 H new ATOM 0 HH21 ARG A 35 23.348 3.096 -18.392 1.00 0.00 H new ATOM 0 HH22 ARG A 35 24.776 2.832 -17.386 1.00 0.00 H new ATOM 526 N LYS A 36 18.931 -1.839 -14.562 1.00 0.00 N ATOM 527 CA LYS A 36 17.843 -1.146 -13.882 1.00 0.00 C ATOM 528 C LYS A 36 17.635 0.247 -14.467 1.00 0.00 C ATOM 529 O LYS A 36 18.369 1.181 -14.145 1.00 0.00 O ATOM 530 CB LYS A 36 18.134 -1.043 -12.383 1.00 0.00 C ATOM 531 CG LYS A 36 17.989 -2.361 -11.643 1.00 0.00 C ATOM 532 CD LYS A 36 17.568 -2.147 -10.199 1.00 0.00 C ATOM 533 CE LYS A 36 17.569 -3.452 -9.419 1.00 0.00 C ATOM 534 NZ LYS A 36 16.809 -3.337 -8.143 1.00 0.00 N ATOM 0 H LYS A 36 19.761 -1.985 -13.988 1.00 0.00 H new ATOM 0 HA LYS A 36 16.930 -1.723 -14.030 1.00 0.00 H new ATOM 0 HB2 LYS A 36 19.148 -0.667 -12.243 1.00 0.00 H new ATOM 0 HB3 LYS A 36 17.459 -0.311 -11.940 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.252 -2.984 -12.149 1.00 0.00 H new ATOM 0 HG3 LYS A 36 18.936 -2.901 -11.671 1.00 0.00 H new ATOM 0 HD2 LYS A 36 18.244 -1.437 -9.723 1.00 0.00 H new ATOM 0 HD3 LYS A 36 16.572 -1.706 -10.171 1.00 0.00 H new ATOM 0 HE2 LYS A 36 17.133 -4.241 -10.031 1.00 0.00 H new ATOM 0 HE3 LYS A 36 18.596 -3.746 -9.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.834 -4.248 -7.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.240 -2.601 -7.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.822 -3.082 -8.349 1.00 0.00 H new ATOM 782 N VAL A 51 12.369 0.552 -13.788 1.00 0.00 N ATOM 783 CA VAL A 51 11.799 -0.399 -14.735 1.00 0.00 C ATOM 784 C VAL A 51 12.888 -1.053 -15.578 1.00 0.00 C ATOM 785 O VAL A 51 14.055 -0.666 -15.514 1.00 0.00 O ATOM 786 CB VAL A 51 10.782 0.282 -15.670 1.00 0.00 C ATOM 787 CG1 VAL A 51 9.499 0.603 -14.919 1.00 0.00 C ATOM 788 CG2 VAL A 51 11.379 1.539 -16.283 1.00 0.00 C ATOM 0 HA VAL A 51 11.288 -1.163 -14.149 1.00 0.00 H new ATOM 0 HB VAL A 51 10.540 -0.408 -16.478 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.792 1.084 -15.595 1.00 0.00 H new ATOM 0 HG12 VAL A 51 9.063 -0.318 -14.533 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.721 1.274 -14.089 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.646 2.007 -16.941 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.652 2.236 -15.491 1.00 0.00 H new ATOM 0 HG23 VAL A 51 12.267 1.277 -16.858 1.00 0.00 H new ATOM 798 N TYR A 52 12.499 -2.047 -16.369 1.00 0.00 N ATOM 799 CA TYR A 52 13.442 -2.758 -17.224 1.00 0.00 C ATOM 800 C TYR A 52 13.062 -2.611 -18.694 1.00 0.00 C ATOM 801 O TYR A 52 11.935 -2.237 -19.022 1.00 0.00 O ATOM 802 CB TYR A 52 13.492 -4.238 -16.844 1.00 0.00 C ATOM 803 CG TYR A 52 14.244 -4.509 -15.561 1.00 0.00 C ATOM 804 CD1 TYR A 52 15.505 -3.968 -15.343 1.00 0.00 C ATOM 805 CD2 TYR A 52 13.693 -5.306 -14.565 1.00 0.00 C ATOM 806 CE1 TYR A 52 16.195 -4.213 -14.173 1.00 0.00 C ATOM 807 CE2 TYR A 52 14.376 -5.556 -13.390 1.00 0.00 C ATOM 808 CZ TYR A 52 15.627 -5.008 -13.199 1.00 0.00 C ATOM 809 OH TYR A 52 16.311 -5.254 -12.031 1.00 0.00 O ATOM 0 H TYR A 52 11.537 -2.379 -16.436 1.00 0.00 H new ATOM 0 HA TYR A 52 14.429 -2.319 -17.077 1.00 0.00 H new ATOM 0 HB2 TYR A 52 12.474 -4.613 -16.744 1.00 0.00 H new ATOM 0 HB3 TYR A 52 13.960 -4.797 -17.654 1.00 0.00 H new ATOM 0 HD1 TYR A 52 15.953 -3.345 -16.103 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.714 -5.738 -14.712 1.00 0.00 H new ATOM 0 HE1 TYR A 52 17.175 -3.785 -14.021 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.933 -6.177 -12.626 1.00 0.00 H new ATOM 0 HH TYR A 52 16.901 -6.027 -12.154 1.00 0.00 H new ATOM 819 N LEU A 53 14.010 -2.908 -19.576 1.00 0.00 N ATOM 820 CA LEU A 53 13.776 -2.810 -21.013 1.00 0.00 C ATOM 821 C LEU A 53 13.090 -4.067 -21.539 1.00 0.00 C ATOM 822 O LEU A 53 13.579 -5.180 -21.346 1.00 0.00 O ATOM 823 CB LEU A 53 15.098 -2.590 -21.751 1.00 0.00 C ATOM 824 CG LEU A 53 15.186 -1.327 -22.608 1.00 0.00 C ATOM 825 CD1 LEU A 53 14.130 -1.350 -23.702 1.00 0.00 C ATOM 826 CD2 LEU A 53 15.034 -0.084 -21.743 1.00 0.00 C ATOM 0 H LEU A 53 14.948 -3.219 -19.322 1.00 0.00 H new ATOM 0 HA LEU A 53 13.121 -1.958 -21.193 1.00 0.00 H new ATOM 0 HB2 LEU A 53 15.902 -2.562 -21.015 1.00 0.00 H new ATOM 0 HB3 LEU A 53 15.282 -3.453 -22.391 1.00 0.00 H new ATOM 0 HG LEU A 53 16.168 -1.299 -23.080 1.00 0.00 H new ATOM 0 HD11 LEU A 53 14.208 -0.443 -24.302 1.00 0.00 H new ATOM 0 HD12 LEU A 53 14.285 -2.221 -24.339 1.00 0.00 H new ATOM 0 HD13 LEU A 53 13.139 -1.402 -23.250 1.00 0.00 H new ATOM 0 HD21 LEU A 53 15.099 0.806 -22.370 1.00 0.00 H new ATOM 0 HD22 LEU A 53 14.066 -0.105 -21.243 1.00 0.00 H new ATOM 0 HD23 LEU A 53 15.828 -0.061 -20.996 1.00 0.00 H new ATOM 838 N ARG A 54 11.956 -3.880 -22.207 1.00 0.00 N ATOM 839 CA ARG A 54 11.204 -4.998 -22.763 1.00 0.00 C ATOM 840 C ARG A 54 12.086 -5.849 -23.671 1.00 0.00 C ATOM 841 O ARG A 54 12.037 -7.078 -23.625 1.00 0.00 O ATOM 842 CB ARG A 54 9.992 -4.486 -23.544 1.00 0.00 C ATOM 843 CG ARG A 54 8.769 -5.380 -23.425 1.00 0.00 C ATOM 844 CD ARG A 54 7.481 -4.585 -23.570 1.00 0.00 C ATOM 845 NE ARG A 54 6.334 -5.292 -23.007 1.00 0.00 N ATOM 846 CZ ARG A 54 5.687 -6.264 -23.639 1.00 0.00 C ATOM 847 NH1 ARG A 54 6.072 -6.643 -24.850 1.00 0.00 N ATOM 848 NH2 ARG A 54 4.652 -6.860 -23.060 1.00 0.00 N ATOM 0 H ARG A 54 11.538 -2.965 -22.376 1.00 0.00 H new ATOM 0 HA ARG A 54 10.859 -5.619 -21.936 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.737 -3.487 -23.189 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.262 -4.392 -24.596 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.808 -6.155 -24.191 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.779 -5.885 -22.459 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.592 -3.621 -23.073 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.298 -4.380 -24.625 1.00 0.00 H new ATOM 0 HE ARG A 54 6.012 -5.024 -22.077 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.867 -6.188 -25.298 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.573 -7.390 -25.333 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.353 -6.571 -22.129 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.156 -7.607 -23.547 1.00 0.00 H new ATOM 862 N SER A 55 12.891 -5.187 -24.496 1.00 0.00 N ATOM 863 CA SER A 55 13.781 -5.883 -25.418 1.00 0.00 C ATOM 864 C SER A 55 14.772 -6.759 -24.659 1.00 0.00 C ATOM 865 O SER A 55 14.948 -7.935 -24.978 1.00 0.00 O ATOM 866 CB SER A 55 14.535 -4.876 -26.289 1.00 0.00 C ATOM 867 OG SER A 55 14.690 -5.361 -27.611 1.00 0.00 O ATOM 0 H SER A 55 12.945 -4.170 -24.545 1.00 0.00 H new ATOM 0 HA SER A 55 13.174 -6.523 -26.058 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.995 -3.929 -26.307 1.00 0.00 H new ATOM 0 HB3 SER A 55 15.514 -4.676 -25.854 1.00 0.00 H new ATOM 0 HG SER A 55 15.173 -4.699 -28.148 1.00 0.00 H new ATOM 873 N ASP A 56 15.416 -6.178 -23.653 1.00 0.00 N ATOM 874 CA ASP A 56 16.390 -6.905 -22.847 1.00 0.00 C ATOM 875 C ASP A 56 15.740 -8.101 -22.158 1.00 0.00 C ATOM 876 O ASP A 56 16.355 -9.158 -22.013 1.00 0.00 O ATOM 877 CB ASP A 56 17.014 -5.977 -21.803 1.00 0.00 C ATOM 878 CG ASP A 56 18.305 -5.347 -22.288 1.00 0.00 C ATOM 879 OD1 ASP A 56 18.403 -5.051 -23.497 1.00 0.00 O ATOM 880 OD2 ASP A 56 19.218 -5.150 -21.458 1.00 0.00 O ATOM 0 H ASP A 56 15.281 -5.206 -23.376 1.00 0.00 H new ATOM 0 HA ASP A 56 17.173 -7.272 -23.511 1.00 0.00 H new ATOM 0 HB2 ASP A 56 16.303 -5.191 -21.548 1.00 0.00 H new ATOM 0 HB3 ASP A 56 17.208 -6.540 -20.890 1.00 0.00 H new ATOM 885 N VAL A 57 14.492 -7.927 -21.734 1.00 0.00 N ATOM 886 CA VAL A 57 13.758 -8.992 -21.061 1.00 0.00 C ATOM 887 C VAL A 57 13.326 -10.071 -22.047 1.00 0.00 C ATOM 888 O VAL A 57 13.220 -11.244 -21.692 1.00 0.00 O ATOM 889 CB VAL A 57 12.514 -8.445 -20.337 1.00 0.00 C ATOM 890 CG1 VAL A 57 11.797 -9.560 -19.590 1.00 0.00 C ATOM 891 CG2 VAL A 57 12.901 -7.320 -19.389 1.00 0.00 C ATOM 0 H VAL A 57 13.968 -7.059 -21.845 1.00 0.00 H new ATOM 0 HA VAL A 57 14.435 -9.427 -20.326 1.00 0.00 H new ATOM 0 HB VAL A 57 11.829 -8.041 -21.083 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.921 -9.154 -19.085 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.485 -10.329 -20.296 1.00 0.00 H new ATOM 0 HG13 VAL A 57 12.471 -9.996 -18.853 1.00 0.00 H new ATOM 0 HG21 VAL A 57 12.010 -6.945 -18.886 1.00 0.00 H new ATOM 0 HG22 VAL A 57 13.606 -7.696 -18.647 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.366 -6.512 -19.954 1.00 0.00 H new ATOM 901 N GLU A 58 13.077 -9.665 -23.288 1.00 0.00 N ATOM 902 CA GLU A 58 12.656 -10.597 -24.327 1.00 0.00 C ATOM 903 C GLU A 58 13.658 -11.739 -24.473 1.00 0.00 C ATOM 904 O GLU A 58 13.284 -12.874 -24.764 1.00 0.00 O ATOM 905 CB GLU A 58 12.497 -9.870 -25.663 1.00 0.00 C ATOM 906 CG GLU A 58 11.966 -10.755 -26.779 1.00 0.00 C ATOM 907 CD GLU A 58 11.513 -9.960 -27.988 1.00 0.00 C ATOM 908 OE1 GLU A 58 11.896 -8.776 -28.097 1.00 0.00 O ATOM 909 OE2 GLU A 58 10.775 -10.521 -28.825 1.00 0.00 O ATOM 0 H GLU A 58 13.160 -8.697 -23.598 1.00 0.00 H new ATOM 0 HA GLU A 58 11.694 -11.016 -24.033 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.822 -9.025 -25.529 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.463 -9.462 -25.962 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.743 -11.458 -27.081 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.130 -11.345 -26.403 1.00 0.00 H new ATOM 916 N ALA A 59 14.934 -11.428 -24.268 1.00 0.00 N ATOM 917 CA ALA A 59 15.990 -12.426 -24.375 1.00 0.00 C ATOM 918 C ALA A 59 16.223 -13.125 -23.040 1.00 0.00 C ATOM 919 O ALA A 59 16.650 -14.279 -22.997 1.00 0.00 O ATOM 920 CB ALA A 59 17.278 -11.781 -24.867 1.00 0.00 C ATOM 0 H ALA A 59 15.261 -10.492 -24.027 1.00 0.00 H new ATOM 0 HA ALA A 59 15.673 -13.178 -25.098 1.00 0.00 H new ATOM 0 HB1 ALA A 59 18.058 -12.538 -24.942 1.00 0.00 H new ATOM 0 HB2 ALA A 59 17.110 -11.334 -25.847 1.00 0.00 H new ATOM 0 HB3 ALA A 59 17.589 -11.008 -24.165 1.00 0.00 H new ATOM 926 N LYS A 60 15.939 -12.418 -21.951 1.00 0.00 N ATOM 927 CA LYS A 60 16.117 -12.970 -20.613 1.00 0.00 C ATOM 928 C LYS A 60 15.282 -14.234 -20.430 1.00 0.00 C ATOM 929 O LYS A 60 15.616 -15.098 -19.620 1.00 0.00 O ATOM 930 CB LYS A 60 15.730 -11.933 -19.556 1.00 0.00 C ATOM 931 CG LYS A 60 15.818 -12.454 -18.132 1.00 0.00 C ATOM 932 CD LYS A 60 17.241 -12.842 -17.767 1.00 0.00 C ATOM 933 CE LYS A 60 18.130 -11.618 -17.609 1.00 0.00 C ATOM 934 NZ LYS A 60 19.421 -11.772 -18.334 1.00 0.00 N ATOM 0 H LYS A 60 15.585 -11.462 -21.969 1.00 0.00 H new ATOM 0 HA LYS A 60 17.169 -13.230 -20.491 1.00 0.00 H new ATOM 0 HB2 LYS A 60 16.380 -11.064 -19.657 1.00 0.00 H new ATOM 0 HB3 LYS A 60 14.712 -11.594 -19.748 1.00 0.00 H new ATOM 0 HG2 LYS A 60 15.460 -11.691 -17.442 1.00 0.00 H new ATOM 0 HG3 LYS A 60 15.164 -13.318 -18.019 1.00 0.00 H new ATOM 0 HD2 LYS A 60 17.237 -13.412 -16.838 1.00 0.00 H new ATOM 0 HD3 LYS A 60 17.651 -13.493 -18.539 1.00 0.00 H new ATOM 0 HE2 LYS A 60 17.606 -10.738 -17.983 1.00 0.00 H new ATOM 0 HE3 LYS A 60 18.326 -11.446 -16.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 19.998 -10.917 -18.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 19.933 -12.596 -17.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 19.235 -11.911 -19.348 1.00 0.00 H new ATOM 948 N SER A 61 14.195 -14.334 -21.189 1.00 0.00 N ATOM 949 CA SER A 61 13.311 -15.491 -21.110 1.00 0.00 C ATOM 950 C SER A 61 13.836 -16.637 -21.970 1.00 0.00 C ATOM 951 O SER A 61 13.562 -17.807 -21.701 1.00 0.00 O ATOM 952 CB SER A 61 11.897 -15.111 -21.554 1.00 0.00 C ATOM 953 OG SER A 61 11.632 -15.578 -22.865 1.00 0.00 O ATOM 0 H SER A 61 13.906 -13.628 -21.866 1.00 0.00 H new ATOM 0 HA SER A 61 13.281 -15.823 -20.072 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.169 -15.532 -20.860 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.780 -14.028 -21.520 1.00 0.00 H new ATOM 0 HG SER A 61 10.722 -15.324 -23.125 1.00 0.00 H new ATOM 959 N LEU A 62 14.593 -16.291 -23.005 1.00 0.00 N ATOM 960 CA LEU A 62 15.158 -17.289 -23.907 1.00 0.00 C ATOM 961 C LEU A 62 16.343 -17.999 -23.259 1.00 0.00 C ATOM 962 O LEU A 62 16.542 -19.198 -23.455 1.00 0.00 O ATOM 963 CB LEU A 62 15.597 -16.632 -25.217 1.00 0.00 C ATOM 964 CG LEU A 62 14.589 -15.679 -25.860 1.00 0.00 C ATOM 965 CD1 LEU A 62 15.099 -15.192 -27.207 1.00 0.00 C ATOM 966 CD2 LEU A 62 13.236 -16.359 -26.014 1.00 0.00 C ATOM 0 H LEU A 62 14.830 -15.327 -23.241 1.00 0.00 H new ATOM 0 HA LEU A 62 14.386 -18.029 -24.120 1.00 0.00 H new ATOM 0 HB2 LEU A 62 16.520 -16.083 -25.033 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.832 -17.419 -25.934 1.00 0.00 H new ATOM 0 HG LEU A 62 14.467 -14.815 -25.207 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.368 -14.515 -27.650 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.044 -14.667 -27.070 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.251 -16.045 -27.869 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.531 -15.666 -26.473 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.342 -17.241 -26.646 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.865 -16.657 -25.033 1.00 0.00 H new ATOM 978 N GLU A 63 17.124 -17.251 -22.487 1.00 0.00 N ATOM 979 CA GLU A 63 18.288 -17.810 -21.809 1.00 0.00 C ATOM 980 C GLU A 63 17.865 -18.676 -20.626 1.00 0.00 C ATOM 981 O GLU A 63 18.592 -19.579 -20.212 1.00 0.00 O ATOM 982 CB GLU A 63 19.215 -16.691 -21.331 1.00 0.00 C ATOM 983 CG GLU A 63 18.689 -15.943 -20.117 1.00 0.00 C ATOM 984 CD GLU A 63 19.372 -16.364 -18.831 1.00 0.00 C ATOM 985 OE1 GLU A 63 19.705 -17.561 -18.701 1.00 0.00 O ATOM 986 OE2 GLU A 63 19.574 -15.498 -17.954 1.00 0.00 O ATOM 0 H GLU A 63 16.972 -16.257 -22.315 1.00 0.00 H new ATOM 0 HA GLU A 63 18.825 -18.436 -22.522 1.00 0.00 H new ATOM 0 HB2 GLU A 63 20.190 -17.115 -21.092 1.00 0.00 H new ATOM 0 HB3 GLU A 63 19.367 -15.983 -22.146 1.00 0.00 H new ATOM 0 HG2 GLU A 63 18.830 -14.872 -20.265 1.00 0.00 H new ATOM 0 HG3 GLU A 63 17.616 -16.113 -20.027 1.00 0.00 H new ATOM 993 N VAL A 64 16.684 -18.393 -20.085 1.00 0.00 N ATOM 994 CA VAL A 64 16.163 -19.146 -18.950 1.00 0.00 C ATOM 995 C VAL A 64 15.372 -20.363 -19.415 1.00 0.00 C ATOM 996 O VAL A 64 15.828 -21.499 -19.285 1.00 0.00 O ATOM 997 CB VAL A 64 15.261 -18.268 -18.062 1.00 0.00 C ATOM 998 CG1 VAL A 64 14.683 -19.085 -16.917 1.00 0.00 C ATOM 999 CG2 VAL A 64 16.036 -17.070 -17.536 1.00 0.00 C ATOM 0 H VAL A 64 16.070 -17.648 -20.414 1.00 0.00 H new ATOM 0 HA VAL A 64 17.022 -19.477 -18.367 1.00 0.00 H new ATOM 0 HB VAL A 64 14.433 -17.898 -18.667 1.00 0.00 H new ATOM 0 HG11 VAL A 64 14.048 -18.449 -16.300 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.091 -19.907 -17.319 1.00 0.00 H new ATOM 0 HG13 VAL A 64 15.495 -19.486 -16.310 1.00 0.00 H new ATOM 0 HG21 VAL A 64 15.384 -16.461 -16.911 1.00 0.00 H new ATOM 0 HG22 VAL A 64 16.885 -17.416 -16.946 1.00 0.00 H new ATOM 0 HG23 VAL A 64 16.396 -16.473 -18.374 1.00 0.00 H new ATOM 1009 N TRP A 65 14.184 -20.118 -19.956 1.00 0.00 N ATOM 1010 CA TRP A 65 13.328 -21.195 -20.440 1.00 0.00 C ATOM 1011 C TRP A 65 14.011 -21.970 -21.562 1.00 0.00 C ATOM 1012 O TRP A 65 13.717 -23.143 -21.787 1.00 0.00 O ATOM 1013 CB TRP A 65 11.993 -20.632 -20.931 1.00 0.00 C ATOM 1014 CG TRP A 65 11.016 -20.371 -19.825 1.00 0.00 C ATOM 1015 CD1 TRP A 65 10.803 -19.184 -19.183 1.00 0.00 C ATOM 1016 CD2 TRP A 65 10.122 -21.317 -19.231 1.00 0.00 C ATOM 1017 NE1 TRP A 65 9.830 -19.337 -18.225 1.00 0.00 N ATOM 1018 CE2 TRP A 65 9.395 -20.636 -18.235 1.00 0.00 C ATOM 1019 CE3 TRP A 65 9.862 -22.674 -19.444 1.00 0.00 C ATOM 1020 CZ2 TRP A 65 8.429 -21.266 -17.455 1.00 0.00 C ATOM 1021 CZ3 TRP A 65 8.904 -23.299 -18.669 1.00 0.00 C ATOM 1022 CH2 TRP A 65 8.196 -22.595 -17.685 1.00 0.00 C ATOM 0 H TRP A 65 13.792 -19.183 -20.071 1.00 0.00 H new ATOM 0 HA TRP A 65 13.143 -21.879 -19.612 1.00 0.00 H new ATOM 0 HB2 TRP A 65 12.175 -19.703 -21.472 1.00 0.00 H new ATOM 0 HB3 TRP A 65 11.550 -21.332 -21.640 1.00 0.00 H new ATOM 0 HD1 TRP A 65 11.323 -18.262 -19.397 1.00 0.00 H new ATOM 0 HE1 TRP A 65 9.487 -18.602 -17.606 1.00 0.00 H new ATOM 0 HE3 TRP A 65 10.401 -23.224 -20.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 7.883 -20.726 -16.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 8.697 -24.348 -18.824 1.00 0.00 H new ATOM 0 HH2 TRP A 65 7.452 -23.111 -17.097 1.00 0.00 H new ATOM 1033 N GLY A 66 14.924 -21.305 -22.265 1.00 0.00 N ATOM 1034 CA GLY A 66 15.633 -21.948 -23.355 1.00 0.00 C ATOM 1035 C GLY A 66 15.202 -21.431 -24.713 1.00 0.00 C ATOM 1036 O GLY A 66 16.022 -21.289 -25.620 1.00 0.00 O ATOM 0 H GLY A 66 15.185 -20.333 -22.098 1.00 0.00 H new ATOM 0 HA2 GLY A 66 16.704 -21.788 -23.232 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.464 -23.024 -23.309 1.00 0.00 H new ATOM 1040 N SER A 67 13.911 -21.149 -24.854 1.00 0.00 N ATOM 1041 CA SER A 67 13.371 -20.649 -26.113 1.00 0.00 C ATOM 1042 C SER A 67 12.062 -19.900 -25.884 1.00 0.00 C ATOM 1043 O SER A 67 11.398 -20.057 -24.858 1.00 0.00 O ATOM 1044 CB SER A 67 13.146 -21.804 -27.090 1.00 0.00 C ATOM 1045 OG SER A 67 13.343 -23.056 -26.455 1.00 0.00 O ATOM 0 H SER A 67 13.219 -21.258 -24.112 1.00 0.00 H new ATOM 0 HA SER A 67 14.096 -19.956 -26.541 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.134 -21.752 -27.492 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.830 -21.709 -27.934 1.00 0.00 H new ATOM 0 HG SER A 67 13.192 -23.778 -27.101 1.00 0.00 H new ATOM 1051 N PRO A 68 11.680 -19.064 -26.861 1.00 0.00 N ATOM 1052 CA PRO A 68 10.448 -18.274 -26.790 1.00 0.00 C ATOM 1053 C PRO A 68 9.197 -19.138 -26.907 1.00 0.00 C ATOM 1054 O PRO A 68 8.109 -18.729 -26.502 1.00 0.00 O ATOM 1055 CB PRO A 68 10.561 -17.332 -27.991 1.00 0.00 C ATOM 1056 CG PRO A 68 11.449 -18.046 -28.950 1.00 0.00 C ATOM 1057 CD PRO A 68 12.422 -18.827 -28.111 1.00 0.00 C ATOM 0 HA PRO A 68 10.349 -17.759 -25.834 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.584 -17.132 -28.430 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.984 -16.370 -27.701 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.873 -18.708 -29.597 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.970 -17.341 -29.598 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.708 -19.762 -28.592 1.00 0.00 H new ATOM 0 HD3 PRO A 68 13.340 -18.267 -27.934 1.00 0.00 H new ATOM 1065 N GLU A 69 9.360 -20.335 -27.462 1.00 0.00 N ATOM 1066 CA GLU A 69 8.243 -21.256 -27.632 1.00 0.00 C ATOM 1067 C GLU A 69 7.847 -21.884 -26.298 1.00 0.00 C ATOM 1068 O GLU A 69 6.670 -22.138 -26.044 1.00 0.00 O ATOM 1069 CB GLU A 69 8.604 -22.353 -28.636 1.00 0.00 C ATOM 1070 CG GLU A 69 8.861 -21.831 -30.040 1.00 0.00 C ATOM 1071 CD GLU A 69 8.595 -22.874 -31.108 1.00 0.00 C ATOM 1072 OE1 GLU A 69 7.409 -23.112 -31.421 1.00 0.00 O ATOM 1073 OE2 GLU A 69 9.570 -23.454 -31.629 1.00 0.00 O ATOM 0 H GLU A 69 10.254 -20.689 -27.801 1.00 0.00 H new ATOM 0 HA GLU A 69 7.394 -20.689 -28.014 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.492 -22.878 -28.284 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.795 -23.083 -28.671 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.229 -20.961 -30.221 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.895 -21.495 -30.115 1.00 0.00 H new ATOM 1080 N ALA A 70 8.840 -22.130 -25.450 1.00 0.00 N ATOM 1081 CA ALA A 70 8.597 -22.726 -24.142 1.00 0.00 C ATOM 1082 C ALA A 70 7.683 -21.845 -23.298 1.00 0.00 C ATOM 1083 O ALA A 70 6.716 -22.324 -22.703 1.00 0.00 O ATOM 1084 CB ALA A 70 9.914 -22.968 -23.419 1.00 0.00 C ATOM 0 H ALA A 70 9.820 -21.926 -25.645 1.00 0.00 H new ATOM 0 HA ALA A 70 8.097 -23.683 -24.294 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.717 -23.413 -22.444 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.534 -23.644 -24.008 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.436 -22.020 -23.286 1.00 0.00 H new ATOM 1090 N LEU A 71 7.993 -20.554 -23.250 1.00 0.00 N ATOM 1091 CA LEU A 71 7.199 -19.604 -22.477 1.00 0.00 C ATOM 1092 C LEU A 71 5.819 -19.417 -23.099 1.00 0.00 C ATOM 1093 O LEU A 71 4.814 -19.345 -22.392 1.00 0.00 O ATOM 1094 CB LEU A 71 7.920 -18.258 -22.392 1.00 0.00 C ATOM 1095 CG LEU A 71 7.108 -17.098 -21.814 1.00 0.00 C ATOM 1096 CD1 LEU A 71 6.839 -17.319 -20.334 1.00 0.00 C ATOM 1097 CD2 LEU A 71 7.832 -15.778 -22.035 1.00 0.00 C ATOM 0 H LEU A 71 8.788 -20.141 -23.737 1.00 0.00 H new ATOM 0 HA LEU A 71 7.073 -20.005 -21.471 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.816 -18.386 -21.785 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.250 -17.981 -23.393 1.00 0.00 H new ATOM 0 HG LEU A 71 6.151 -17.056 -22.333 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.260 -16.483 -19.941 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.278 -18.244 -20.200 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.786 -17.388 -19.799 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.240 -14.964 -21.617 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.804 -15.809 -21.543 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.972 -15.614 -23.104 1.00 0.00 H new ATOM 1109 N ALA A 72 5.778 -19.341 -24.425 1.00 0.00 N ATOM 1110 CA ALA A 72 4.520 -19.166 -25.141 1.00 0.00 C ATOM 1111 C ALA A 72 3.514 -20.245 -24.754 1.00 0.00 C ATOM 1112 O ALA A 72 2.309 -19.995 -24.709 1.00 0.00 O ATOM 1113 CB ALA A 72 4.762 -19.182 -26.643 1.00 0.00 C ATOM 0 H ALA A 72 6.601 -19.398 -25.025 1.00 0.00 H new ATOM 0 HA ALA A 72 4.102 -18.199 -24.861 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.815 -19.050 -27.166 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.440 -18.372 -26.911 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.205 -20.136 -26.930 1.00 0.00 H new ATOM 1119 N ARG A 73 4.016 -21.444 -24.477 1.00 0.00 N ATOM 1120 CA ARG A 73 3.160 -22.561 -24.096 1.00 0.00 C ATOM 1121 C ARG A 73 2.305 -22.202 -22.883 1.00 0.00 C ATOM 1122 O ARG A 73 1.152 -22.618 -22.780 1.00 0.00 O ATOM 1123 CB ARG A 73 4.006 -23.798 -23.789 1.00 0.00 C ATOM 1124 CG ARG A 73 4.891 -24.232 -24.945 1.00 0.00 C ATOM 1125 CD ARG A 73 4.480 -25.595 -25.480 1.00 0.00 C ATOM 1126 NE ARG A 73 4.738 -25.721 -26.912 1.00 0.00 N ATOM 1127 CZ ARG A 73 4.294 -26.731 -27.652 1.00 0.00 C ATOM 1128 NH1 ARG A 73 3.575 -27.697 -27.098 1.00 0.00 N ATOM 1129 NH2 ARG A 73 4.570 -26.776 -28.949 1.00 0.00 N ATOM 0 H ARG A 73 5.011 -21.667 -24.509 1.00 0.00 H new ATOM 0 HA ARG A 73 2.498 -22.781 -24.933 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.632 -23.593 -22.920 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.345 -24.622 -23.519 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.835 -23.494 -25.745 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.930 -24.267 -24.616 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.023 -26.374 -24.944 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.419 -25.755 -25.287 1.00 0.00 H new ATOM 0 HE ARG A 73 5.289 -24.994 -27.369 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.361 -27.666 -26.101 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.235 -28.471 -27.669 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.124 -26.035 -29.379 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.229 -27.552 -29.516 1.00 0.00 H new ATOM 1143 N GLU A 74 2.881 -21.427 -21.969 1.00 0.00 N ATOM 1144 CA GLU A 74 2.172 -21.014 -20.763 1.00 0.00 C ATOM 1145 C GLU A 74 1.361 -19.746 -21.016 1.00 0.00 C ATOM 1146 O GLU A 74 0.293 -19.552 -20.437 1.00 0.00 O ATOM 1147 CB GLU A 74 3.160 -20.781 -19.618 1.00 0.00 C ATOM 1148 CG GLU A 74 3.545 -22.051 -18.879 1.00 0.00 C ATOM 1149 CD GLU A 74 3.887 -23.192 -19.818 1.00 0.00 C ATOM 1150 OE1 GLU A 74 2.951 -23.819 -20.356 1.00 0.00 O ATOM 1151 OE2 GLU A 74 5.092 -23.457 -20.014 1.00 0.00 O ATOM 0 H GLU A 74 3.835 -21.073 -22.040 1.00 0.00 H new ATOM 0 HA GLU A 74 1.486 -21.814 -20.484 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.061 -20.315 -20.016 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.723 -20.077 -18.910 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.400 -21.847 -18.235 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.723 -22.353 -18.231 1.00 0.00 H new ATOM 1158 N LYS A 75 1.878 -18.885 -21.886 1.00 0.00 N ATOM 1159 CA LYS A 75 1.204 -17.635 -22.218 1.00 0.00 C ATOM 1160 C LYS A 75 -0.137 -17.902 -22.893 1.00 0.00 C ATOM 1161 O LYS A 75 -1.111 -17.183 -22.671 1.00 0.00 O ATOM 1162 CB LYS A 75 2.087 -16.783 -23.132 1.00 0.00 C ATOM 1163 CG LYS A 75 3.465 -16.502 -22.558 1.00 0.00 C ATOM 1164 CD LYS A 75 3.850 -15.041 -22.722 1.00 0.00 C ATOM 1165 CE LYS A 75 3.676 -14.269 -21.423 1.00 0.00 C ATOM 1166 NZ LYS A 75 2.384 -13.529 -21.387 1.00 0.00 N ATOM 0 H LYS A 75 2.762 -19.030 -22.374 1.00 0.00 H new ATOM 0 HA LYS A 75 1.022 -17.092 -21.290 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.198 -17.290 -24.091 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.585 -15.836 -23.329 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.481 -16.767 -21.501 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.203 -17.132 -23.055 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.887 -14.972 -23.051 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.237 -14.587 -23.501 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.723 -14.960 -20.581 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.501 -13.566 -21.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.303 -13.016 -20.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.350 -12.852 -22.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.596 -14.202 -21.474 1.00 0.00 H new