USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 393 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 THR OG1 : rot -160:sc= -0.368 USER MOD Single : A 22 ASN : amide:sc= -0.47 X(o=-0.47,f=-0.017) USER MOD Single : A 25 CYS SG : rot 19:sc= 0.905 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.00189 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+ 162:sc= 0.19 (180deg=0.095) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.0136 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 146:sc= 0.01 (180deg=0) USER MOD Single : A 61 SER OG : rot -80:sc= 0.0322 USER MOD Single : A 67 SER OG : rot 180:sc= -0.185 USER MOD Single : A 75 LYS NZ :NH3+ -176:sc= 0.058 (180deg=0.0544) USER MOD ----------------------------------------------------------------- ATOM 168 N PHE A 14 9.920 1.144 -21.176 1.00 0.00 N ATOM 169 CA PHE A 14 10.467 0.358 -20.075 1.00 0.00 C ATOM 170 C PHE A 14 9.384 -0.503 -19.431 1.00 0.00 C ATOM 171 O PHE A 14 8.217 -0.112 -19.376 1.00 0.00 O ATOM 172 CB PHE A 14 11.094 1.278 -19.026 1.00 0.00 C ATOM 173 CG PHE A 14 12.251 2.081 -19.548 1.00 0.00 C ATOM 174 CD1 PHE A 14 13.255 1.475 -20.286 1.00 0.00 C ATOM 175 CD2 PHE A 14 12.334 3.442 -19.301 1.00 0.00 C ATOM 176 CE1 PHE A 14 14.321 2.212 -20.767 1.00 0.00 C ATOM 177 CE2 PHE A 14 13.398 4.184 -19.780 1.00 0.00 C ATOM 178 CZ PHE A 14 14.392 3.568 -20.515 1.00 0.00 C ATOM 0 HA PHE A 14 11.237 -0.299 -20.478 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.331 1.958 -18.648 1.00 0.00 H new ATOM 0 HB3 PHE A 14 11.431 0.677 -18.182 1.00 0.00 H new ATOM 0 HD1 PHE A 14 13.204 0.415 -20.488 1.00 0.00 H new ATOM 0 HD2 PHE A 14 11.559 3.929 -18.728 1.00 0.00 H new ATOM 0 HE1 PHE A 14 15.098 1.728 -21.340 1.00 0.00 H new ATOM 0 HE2 PHE A 14 13.452 5.244 -19.580 1.00 0.00 H new ATOM 0 HZ PHE A 14 15.223 4.146 -20.892 1.00 0.00 H new ATOM 188 N ILE A 15 9.779 -1.675 -18.946 1.00 0.00 N ATOM 189 CA ILE A 15 8.843 -2.590 -18.306 1.00 0.00 C ATOM 190 C ILE A 15 9.193 -2.795 -16.836 1.00 0.00 C ATOM 191 O ILE A 15 10.361 -2.959 -16.481 1.00 0.00 O ATOM 192 CB ILE A 15 8.821 -3.959 -19.012 1.00 0.00 C ATOM 193 CG1 ILE A 15 7.826 -4.896 -18.325 1.00 0.00 C ATOM 194 CG2 ILE A 15 10.214 -4.572 -19.022 1.00 0.00 C ATOM 195 CD1 ILE A 15 7.616 -6.200 -19.063 1.00 0.00 C ATOM 0 H ILE A 15 10.741 -2.013 -18.984 1.00 0.00 H new ATOM 0 HA ILE A 15 7.855 -2.135 -18.382 1.00 0.00 H new ATOM 0 HB ILE A 15 8.501 -3.814 -20.044 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.179 -5.111 -17.316 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.868 -4.386 -18.225 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.182 -5.539 -19.524 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.899 -3.910 -19.552 1.00 0.00 H new ATOM 0 HG23 ILE A 15 10.560 -4.707 -17.997 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.899 -6.815 -18.519 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.233 -5.995 -20.063 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.565 -6.732 -19.140 1.00 0.00 H new ATOM 207 N THR A 16 8.173 -2.786 -15.983 1.00 0.00 N ATOM 208 CA THR A 16 8.372 -2.972 -14.551 1.00 0.00 C ATOM 209 C THR A 16 8.990 -4.333 -14.254 1.00 0.00 C ATOM 210 O THR A 16 8.815 -5.285 -15.014 1.00 0.00 O ATOM 211 CB THR A 16 7.046 -2.843 -13.778 1.00 0.00 C ATOM 212 OG1 THR A 16 5.954 -2.719 -14.696 1.00 0.00 O ATOM 213 CG2 THR A 16 7.075 -1.637 -12.852 1.00 0.00 C ATOM 0 H THR A 16 7.200 -2.652 -16.259 1.00 0.00 H new ATOM 0 HA THR A 16 9.053 -2.187 -14.222 1.00 0.00 H new ATOM 0 HB THR A 16 6.914 -3.741 -13.175 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.182 -2.328 -14.236 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.128 -1.566 -12.317 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.889 -1.748 -12.136 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.229 -0.731 -13.439 1.00 0.00 H new ATOM 221 N GLY A 17 9.714 -4.419 -13.142 1.00 0.00 N ATOM 222 CA GLY A 17 10.347 -5.669 -12.764 1.00 0.00 C ATOM 223 C GLY A 17 9.350 -6.801 -12.612 1.00 0.00 C ATOM 224 O GLY A 17 9.376 -7.766 -13.375 1.00 0.00 O ATOM 0 H GLY A 17 9.873 -3.646 -12.496 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.088 -5.940 -13.517 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.883 -5.532 -11.825 1.00 0.00 H new ATOM 228 N VAL A 18 8.470 -6.684 -11.623 1.00 0.00 N ATOM 229 CA VAL A 18 7.460 -7.705 -11.373 1.00 0.00 C ATOM 230 C VAL A 18 6.673 -8.021 -12.640 1.00 0.00 C ATOM 231 O VAL A 18 6.388 -9.183 -12.933 1.00 0.00 O ATOM 232 CB VAL A 18 6.480 -7.268 -10.269 1.00 0.00 C ATOM 233 CG1 VAL A 18 5.430 -8.342 -10.030 1.00 0.00 C ATOM 234 CG2 VAL A 18 7.232 -6.951 -8.985 1.00 0.00 C ATOM 0 H VAL A 18 8.436 -5.892 -10.981 1.00 0.00 H new ATOM 0 HA VAL A 18 7.989 -8.599 -11.044 1.00 0.00 H new ATOM 0 HB VAL A 18 5.970 -6.363 -10.598 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.747 -8.015 -9.246 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.871 -8.516 -10.950 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.919 -9.267 -9.722 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.524 -6.644 -8.215 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.770 -7.838 -8.650 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.941 -6.144 -9.169 1.00 0.00 H new ATOM 244 N ARG A 19 6.324 -6.980 -13.388 1.00 0.00 N ATOM 245 CA ARG A 19 5.568 -7.146 -14.624 1.00 0.00 C ATOM 246 C ARG A 19 6.281 -8.106 -15.572 1.00 0.00 C ATOM 247 O ARG A 19 5.647 -8.769 -16.392 1.00 0.00 O ATOM 248 CB ARG A 19 5.365 -5.793 -15.308 1.00 0.00 C ATOM 249 CG ARG A 19 4.009 -5.165 -15.027 1.00 0.00 C ATOM 250 CD ARG A 19 3.275 -4.826 -16.314 1.00 0.00 C ATOM 251 NE ARG A 19 2.133 -3.947 -16.078 1.00 0.00 N ATOM 252 CZ ARG A 19 0.977 -4.363 -15.573 1.00 0.00 C ATOM 253 NH1 ARG A 19 0.810 -5.638 -15.253 1.00 0.00 N ATOM 254 NH2 ARG A 19 -0.015 -3.502 -15.386 1.00 0.00 N ATOM 0 H ARG A 19 6.552 -6.012 -13.160 1.00 0.00 H new ATOM 0 HA ARG A 19 4.595 -7.567 -14.372 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.148 -5.109 -14.980 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.482 -5.919 -16.384 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.405 -5.851 -14.432 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.142 -4.260 -14.433 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.964 -4.346 -17.009 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.933 -5.745 -16.789 1.00 0.00 H new ATOM 0 HE ARG A 19 2.228 -2.959 -16.314 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.570 -6.303 -15.394 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.079 -5.954 -14.865 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.110 -2.520 -15.630 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.902 -3.823 -14.998 1.00 0.00 H new ATOM 268 N ALA A 20 7.603 -8.173 -15.454 1.00 0.00 N ATOM 269 CA ALA A 20 8.401 -9.053 -16.299 1.00 0.00 C ATOM 270 C ALA A 20 8.581 -10.422 -15.652 1.00 0.00 C ATOM 271 O ALA A 20 8.431 -11.453 -16.307 1.00 0.00 O ATOM 272 CB ALA A 20 9.755 -8.421 -16.587 1.00 0.00 C ATOM 0 H ALA A 20 8.144 -7.629 -14.782 1.00 0.00 H new ATOM 0 HA ALA A 20 7.869 -9.193 -17.240 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.341 -9.088 -17.219 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.611 -7.470 -17.099 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.284 -8.252 -15.649 1.00 0.00 H new ATOM 278 N ILE A 21 8.903 -10.424 -14.362 1.00 0.00 N ATOM 279 CA ILE A 21 9.103 -11.667 -13.627 1.00 0.00 C ATOM 280 C ILE A 21 7.836 -12.516 -13.631 1.00 0.00 C ATOM 281 O ILE A 21 7.897 -13.738 -13.498 1.00 0.00 O ATOM 282 CB ILE A 21 9.523 -11.398 -12.170 1.00 0.00 C ATOM 283 CG1 ILE A 21 10.810 -10.570 -12.132 1.00 0.00 C ATOM 284 CG2 ILE A 21 9.708 -12.709 -11.422 1.00 0.00 C ATOM 285 CD1 ILE A 21 10.758 -9.417 -11.155 1.00 0.00 C ATOM 0 H ILE A 21 9.031 -9.579 -13.805 1.00 0.00 H new ATOM 0 HA ILE A 21 9.903 -12.208 -14.132 1.00 0.00 H new ATOM 0 HB ILE A 21 8.733 -10.830 -11.678 1.00 0.00 H new ATOM 0 HG12 ILE A 21 11.644 -11.221 -11.869 1.00 0.00 H new ATOM 0 HG13 ILE A 21 11.012 -10.181 -13.130 1.00 0.00 H new ATOM 0 HG21 ILE A 21 10.005 -12.502 -10.394 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.770 -13.265 -11.424 1.00 0.00 H new ATOM 0 HG23 ILE A 21 10.482 -13.301 -11.911 1.00 0.00 H new ATOM 0 HD11 ILE A 21 11.703 -8.875 -11.181 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.946 -8.744 -11.429 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.587 -9.800 -10.149 1.00 0.00 H new ATOM 297 N ASN A 22 6.691 -11.861 -13.786 1.00 0.00 N ATOM 298 CA ASN A 22 5.409 -12.557 -13.808 1.00 0.00 C ATOM 299 C ASN A 22 5.047 -12.985 -15.227 1.00 0.00 C ATOM 300 O ASN A 22 4.708 -14.143 -15.468 1.00 0.00 O ATOM 301 CB ASN A 22 4.308 -11.660 -13.237 1.00 0.00 C ATOM 302 CG ASN A 22 4.115 -11.859 -11.747 1.00 0.00 C ATOM 303 OD1 ASN A 22 3.174 -12.526 -11.315 1.00 0.00 O ATOM 304 ND2 ASN A 22 5.007 -11.280 -10.952 1.00 0.00 N ATOM 0 H ASN A 22 6.624 -10.849 -13.898 1.00 0.00 H new ATOM 0 HA ASN A 22 5.498 -13.450 -13.190 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.556 -10.617 -13.432 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.370 -11.867 -13.753 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.928 -11.379 -9.940 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.771 -10.736 -11.353 1.00 0.00 H new ATOM 311 N GLU A 23 5.123 -12.043 -16.161 1.00 0.00 N ATOM 312 CA GLU A 23 4.804 -12.323 -17.556 1.00 0.00 C ATOM 313 C GLU A 23 5.782 -13.335 -18.146 1.00 0.00 C ATOM 314 O GLU A 23 5.385 -14.413 -18.590 1.00 0.00 O ATOM 315 CB GLU A 23 4.830 -11.033 -18.378 1.00 0.00 C ATOM 316 CG GLU A 23 3.646 -10.119 -18.113 1.00 0.00 C ATOM 317 CD GLU A 23 2.394 -10.559 -18.847 1.00 0.00 C ATOM 318 OE1 GLU A 23 2.222 -10.161 -20.018 1.00 0.00 O ATOM 319 OE2 GLU A 23 1.585 -11.300 -18.250 1.00 0.00 O ATOM 0 H GLU A 23 5.403 -11.079 -15.977 1.00 0.00 H new ATOM 0 HA GLU A 23 3.801 -12.749 -17.593 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.751 -10.492 -18.161 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.852 -11.288 -19.438 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.445 -10.093 -17.042 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.901 -9.103 -18.414 1.00 0.00 H new ATOM 326 N PHE A 24 7.063 -12.980 -18.146 1.00 0.00 N ATOM 327 CA PHE A 24 8.098 -13.855 -18.682 1.00 0.00 C ATOM 328 C PHE A 24 8.301 -15.072 -17.784 1.00 0.00 C ATOM 329 O PHE A 24 8.901 -16.067 -18.194 1.00 0.00 O ATOM 330 CB PHE A 24 9.416 -13.091 -18.829 1.00 0.00 C ATOM 331 CG PHE A 24 9.364 -12.000 -19.860 1.00 0.00 C ATOM 332 CD1 PHE A 24 8.968 -10.719 -19.513 1.00 0.00 C ATOM 333 CD2 PHE A 24 9.713 -12.256 -21.176 1.00 0.00 C ATOM 334 CE1 PHE A 24 8.919 -9.713 -20.460 1.00 0.00 C ATOM 335 CE2 PHE A 24 9.666 -11.255 -22.128 1.00 0.00 C ATOM 336 CZ PHE A 24 9.270 -9.981 -21.769 1.00 0.00 C ATOM 0 H PHE A 24 7.408 -12.093 -17.781 1.00 0.00 H new ATOM 0 HA PHE A 24 7.774 -14.200 -19.664 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.685 -12.657 -17.866 1.00 0.00 H new ATOM 0 HB3 PHE A 24 10.206 -13.793 -19.094 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.694 -10.503 -18.491 1.00 0.00 H new ATOM 0 HD2 PHE A 24 10.026 -13.250 -21.461 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.607 -8.719 -20.177 1.00 0.00 H new ATOM 0 HE2 PHE A 24 9.938 -11.468 -23.151 1.00 0.00 H new ATOM 0 HZ PHE A 24 9.235 -9.196 -22.510 1.00 0.00 H new ATOM 346 N CYS A 25 7.797 -14.985 -16.558 1.00 0.00 N ATOM 347 CA CYS A 25 7.923 -16.078 -15.600 1.00 0.00 C ATOM 348 C CYS A 25 9.388 -16.427 -15.363 1.00 0.00 C ATOM 349 O CYS A 25 9.832 -17.534 -15.670 1.00 0.00 O ATOM 350 CB CYS A 25 7.167 -17.311 -16.099 1.00 0.00 C ATOM 351 SG CYS A 25 5.375 -17.220 -15.871 1.00 0.00 S ATOM 0 H CYS A 25 7.297 -14.169 -16.204 1.00 0.00 H new ATOM 0 HA CYS A 25 7.488 -15.752 -14.655 1.00 0.00 H new ATOM 0 HB2 CYS A 25 7.381 -17.451 -17.159 1.00 0.00 H new ATOM 0 HB3 CYS A 25 7.545 -18.191 -15.578 1.00 0.00 H new ATOM 0 HG CYS A 25 5.022 -15.981 -15.696 1.00 0.00 H new ATOM 357 N LEU A 26 10.136 -15.475 -14.816 1.00 0.00 N ATOM 358 CA LEU A 26 11.554 -15.681 -14.538 1.00 0.00 C ATOM 359 C LEU A 26 11.829 -15.625 -13.039 1.00 0.00 C ATOM 360 O LEU A 26 10.903 -15.587 -12.228 1.00 0.00 O ATOM 361 CB LEU A 26 12.393 -14.627 -15.262 1.00 0.00 C ATOM 362 CG LEU A 26 12.005 -14.340 -16.713 1.00 0.00 C ATOM 363 CD1 LEU A 26 12.642 -13.044 -17.190 1.00 0.00 C ATOM 364 CD2 LEU A 26 12.410 -15.498 -17.613 1.00 0.00 C ATOM 0 H LEU A 26 9.785 -14.553 -14.556 1.00 0.00 H new ATOM 0 HA LEU A 26 11.831 -16.670 -14.902 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.333 -13.695 -14.700 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.435 -14.945 -15.242 1.00 0.00 H new ATOM 0 HG LEU A 26 10.922 -14.229 -16.763 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.354 -12.856 -18.225 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.302 -12.219 -16.564 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.727 -13.126 -17.124 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.126 -15.276 -18.642 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.489 -15.642 -17.558 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.906 -16.407 -17.285 1.00 0.00 H new ATOM 376 N LYS A 27 13.107 -15.617 -12.678 1.00 0.00 N ATOM 377 CA LYS A 27 13.506 -15.561 -11.276 1.00 0.00 C ATOM 378 C LYS A 27 13.685 -14.118 -10.818 1.00 0.00 C ATOM 379 O LYS A 27 14.077 -13.252 -11.600 1.00 0.00 O ATOM 380 CB LYS A 27 14.807 -16.340 -11.064 1.00 0.00 C ATOM 381 CG LYS A 27 14.727 -17.790 -11.508 1.00 0.00 C ATOM 382 CD LYS A 27 15.988 -18.555 -11.143 1.00 0.00 C ATOM 383 CE LYS A 27 15.995 -19.946 -11.758 1.00 0.00 C ATOM 384 NZ LYS A 27 16.697 -20.933 -10.892 1.00 0.00 N ATOM 0 H LYS A 27 13.885 -15.649 -13.337 1.00 0.00 H new ATOM 0 HA LYS A 27 12.715 -16.017 -10.680 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.610 -15.845 -11.610 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.073 -16.306 -10.007 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.864 -18.267 -11.043 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.573 -17.833 -12.586 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.862 -18.001 -11.484 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.065 -18.635 -10.059 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.969 -20.274 -11.925 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.480 -19.909 -12.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.680 -21.868 -11.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.683 -20.634 -10.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.219 -20.988 -9.970 1.00 0.00 H new ATOM 398 N SER A 28 13.395 -13.865 -9.545 1.00 0.00 N ATOM 399 CA SER A 28 13.522 -12.525 -8.984 1.00 0.00 C ATOM 400 C SER A 28 14.972 -12.054 -9.026 1.00 0.00 C ATOM 401 O SER A 28 15.245 -10.855 -9.091 1.00 0.00 O ATOM 402 CB SER A 28 13.007 -12.503 -7.543 1.00 0.00 C ATOM 403 OG SER A 28 11.782 -13.204 -7.428 1.00 0.00 O ATOM 0 H SER A 28 13.071 -14.570 -8.883 1.00 0.00 H new ATOM 0 HA SER A 28 12.921 -11.845 -9.588 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.749 -12.950 -6.882 1.00 0.00 H new ATOM 0 HB3 SER A 28 12.871 -11.472 -7.218 1.00 0.00 H new ATOM 0 HG SER A 28 11.475 -13.176 -6.498 1.00 0.00 H new ATOM 409 N SER A 29 15.899 -13.006 -8.987 1.00 0.00 N ATOM 410 CA SER A 29 17.322 -12.689 -9.017 1.00 0.00 C ATOM 411 C SER A 29 17.801 -12.474 -10.449 1.00 0.00 C ATOM 412 O SER A 29 18.734 -11.710 -10.695 1.00 0.00 O ATOM 413 CB SER A 29 18.129 -13.810 -8.359 1.00 0.00 C ATOM 414 OG SER A 29 17.654 -14.081 -7.052 1.00 0.00 O ATOM 0 H SER A 29 15.690 -14.003 -8.935 1.00 0.00 H new ATOM 0 HA SER A 29 17.475 -11.765 -8.459 1.00 0.00 H new ATOM 0 HB2 SER A 29 18.066 -14.713 -8.967 1.00 0.00 H new ATOM 0 HB3 SER A 29 19.181 -13.528 -8.316 1.00 0.00 H new ATOM 0 HG SER A 29 18.185 -14.802 -6.654 1.00 0.00 H new ATOM 420 N ASP A 30 17.155 -13.154 -11.390 1.00 0.00 N ATOM 421 CA ASP A 30 17.513 -13.038 -12.799 1.00 0.00 C ATOM 422 C ASP A 30 17.440 -11.586 -13.261 1.00 0.00 C ATOM 423 O ASP A 30 18.370 -11.074 -13.886 1.00 0.00 O ATOM 424 CB ASP A 30 16.589 -13.905 -13.655 1.00 0.00 C ATOM 425 CG ASP A 30 17.058 -15.345 -13.737 1.00 0.00 C ATOM 426 OD1 ASP A 30 17.646 -15.835 -12.751 1.00 0.00 O ATOM 427 OD2 ASP A 30 16.836 -15.981 -14.788 1.00 0.00 O ATOM 0 H ASP A 30 16.381 -13.791 -11.203 1.00 0.00 H new ATOM 0 HA ASP A 30 18.539 -13.387 -12.917 1.00 0.00 H new ATOM 0 HB2 ASP A 30 15.582 -13.877 -13.240 1.00 0.00 H new ATOM 0 HB3 ASP A 30 16.531 -13.487 -14.660 1.00 0.00 H new ATOM 432 N LEU A 31 16.329 -10.927 -12.950 1.00 0.00 N ATOM 433 CA LEU A 31 16.134 -9.533 -13.334 1.00 0.00 C ATOM 434 C LEU A 31 17.268 -8.659 -12.809 1.00 0.00 C ATOM 435 O LEU A 31 17.793 -7.810 -13.527 1.00 0.00 O ATOM 436 CB LEU A 31 14.793 -9.021 -12.804 1.00 0.00 C ATOM 437 CG LEU A 31 13.576 -9.286 -13.690 1.00 0.00 C ATOM 438 CD1 LEU A 31 13.637 -8.437 -14.950 1.00 0.00 C ATOM 439 CD2 LEU A 31 13.485 -10.763 -14.044 1.00 0.00 C ATOM 0 H LEU A 31 15.550 -11.335 -12.433 1.00 0.00 H new ATOM 0 HA LEU A 31 16.133 -9.479 -14.423 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.613 -9.474 -11.829 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.875 -7.946 -12.645 1.00 0.00 H new ATOM 0 HG LEU A 31 12.680 -9.010 -13.134 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.762 -8.640 -15.568 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.652 -7.382 -14.677 1.00 0.00 H new ATOM 0 HD13 LEU A 31 14.540 -8.680 -15.509 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.613 -10.933 -14.675 1.00 0.00 H new ATOM 0 HD22 LEU A 31 14.385 -11.065 -14.580 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.392 -11.351 -13.131 1.00 0.00 H new ATOM 451 N GLU A 32 17.643 -8.876 -11.552 1.00 0.00 N ATOM 452 CA GLU A 32 18.717 -8.109 -10.932 1.00 0.00 C ATOM 453 C GLU A 32 19.993 -8.189 -11.764 1.00 0.00 C ATOM 454 O GLU A 32 20.805 -7.265 -11.762 1.00 0.00 O ATOM 455 CB GLU A 32 18.986 -8.620 -9.515 1.00 0.00 C ATOM 456 CG GLU A 32 17.751 -8.639 -8.629 1.00 0.00 C ATOM 457 CD GLU A 32 18.065 -8.308 -7.183 1.00 0.00 C ATOM 458 OE1 GLU A 32 18.539 -7.182 -6.922 1.00 0.00 O ATOM 459 OE2 GLU A 32 17.838 -9.174 -6.313 1.00 0.00 O ATOM 0 H GLU A 32 17.219 -9.576 -10.944 1.00 0.00 H new ATOM 0 HA GLU A 32 18.402 -7.067 -10.881 1.00 0.00 H new ATOM 0 HB2 GLU A 32 19.396 -9.628 -9.573 1.00 0.00 H new ATOM 0 HB3 GLU A 32 19.747 -7.993 -9.050 1.00 0.00 H new ATOM 0 HG2 GLU A 32 17.023 -7.924 -9.012 1.00 0.00 H new ATOM 0 HG3 GLU A 32 17.287 -9.624 -8.680 1.00 0.00 H new ATOM 466 N GLN A 33 20.161 -9.300 -12.474 1.00 0.00 N ATOM 467 CA GLN A 33 21.339 -9.501 -13.309 1.00 0.00 C ATOM 468 C GLN A 33 21.356 -8.515 -14.472 1.00 0.00 C ATOM 469 O GLN A 33 22.416 -8.042 -14.884 1.00 0.00 O ATOM 470 CB GLN A 33 21.374 -10.935 -13.841 1.00 0.00 C ATOM 471 CG GLN A 33 22.779 -11.448 -14.114 1.00 0.00 C ATOM 472 CD GLN A 33 22.799 -12.911 -14.511 1.00 0.00 C ATOM 473 OE1 GLN A 33 22.833 -13.798 -13.657 1.00 0.00 O ATOM 474 NE2 GLN A 33 22.777 -13.172 -15.813 1.00 0.00 N ATOM 0 H GLN A 33 19.497 -10.074 -12.488 1.00 0.00 H new ATOM 0 HA GLN A 33 22.223 -9.327 -12.695 1.00 0.00 H new ATOM 0 HB2 GLN A 33 20.889 -11.593 -13.120 1.00 0.00 H new ATOM 0 HB3 GLN A 33 20.792 -10.987 -14.761 1.00 0.00 H new ATOM 0 HG2 GLN A 33 23.231 -10.854 -14.908 1.00 0.00 H new ATOM 0 HG3 GLN A 33 23.392 -11.309 -13.224 1.00 0.00 H new ATOM 0 HE21 GLN A 33 22.749 -12.406 -16.486 1.00 0.00 H new ATOM 0 HE22 GLN A 33 22.788 -14.138 -16.140 1.00 0.00 H new ATOM 483 N LEU A 34 20.176 -8.208 -14.999 1.00 0.00 N ATOM 484 CA LEU A 34 20.054 -7.278 -16.116 1.00 0.00 C ATOM 485 C LEU A 34 20.492 -5.875 -15.706 1.00 0.00 C ATOM 486 O LEU A 34 20.895 -5.649 -14.565 1.00 0.00 O ATOM 487 CB LEU A 34 18.612 -7.246 -16.625 1.00 0.00 C ATOM 488 CG LEU A 34 18.031 -8.585 -17.079 1.00 0.00 C ATOM 489 CD1 LEU A 34 16.511 -8.542 -17.062 1.00 0.00 C ATOM 490 CD2 LEU A 34 18.540 -8.943 -18.468 1.00 0.00 C ATOM 0 H LEU A 34 19.289 -8.590 -14.670 1.00 0.00 H new ATOM 0 HA LEU A 34 20.707 -7.624 -16.917 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.977 -6.847 -15.834 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.558 -6.547 -17.460 1.00 0.00 H new ATOM 0 HG LEU A 34 18.360 -9.356 -16.382 1.00 0.00 H new ATOM 0 HD11 LEU A 34 16.116 -9.504 -17.388 1.00 0.00 H new ATOM 0 HD12 LEU A 34 16.164 -8.332 -16.050 1.00 0.00 H new ATOM 0 HD13 LEU A 34 16.162 -7.759 -17.735 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.116 -9.899 -18.775 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.241 -8.169 -19.175 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.627 -9.017 -18.449 1.00 0.00 H new ATOM 502 N ARG A 35 20.407 -4.937 -16.643 1.00 0.00 N ATOM 503 CA ARG A 35 20.793 -3.556 -16.379 1.00 0.00 C ATOM 504 C ARG A 35 19.721 -2.838 -15.565 1.00 0.00 C ATOM 505 O ARG A 35 18.566 -2.748 -15.981 1.00 0.00 O ATOM 506 CB ARG A 35 21.036 -2.811 -17.693 1.00 0.00 C ATOM 507 CG ARG A 35 21.367 -1.340 -17.507 1.00 0.00 C ATOM 508 CD ARG A 35 21.702 -0.672 -18.832 1.00 0.00 C ATOM 509 NE ARG A 35 22.935 0.106 -18.756 1.00 0.00 N ATOM 510 CZ ARG A 35 23.280 1.025 -19.651 1.00 0.00 C ATOM 511 NH1 ARG A 35 22.489 1.279 -20.684 1.00 0.00 N ATOM 512 NH2 ARG A 35 24.419 1.692 -19.514 1.00 0.00 N ATOM 0 H ARG A 35 20.074 -5.108 -17.592 1.00 0.00 H new ATOM 0 HA ARG A 35 21.717 -3.568 -15.801 1.00 0.00 H new ATOM 0 HB2 ARG A 35 21.853 -3.294 -18.229 1.00 0.00 H new ATOM 0 HB3 ARG A 35 20.149 -2.899 -18.320 1.00 0.00 H new ATOM 0 HG2 ARG A 35 20.521 -0.831 -17.046 1.00 0.00 H new ATOM 0 HG3 ARG A 35 22.211 -1.239 -16.824 1.00 0.00 H new ATOM 0 HD2 ARG A 35 21.800 -1.432 -19.607 1.00 0.00 H new ATOM 0 HD3 ARG A 35 20.880 -0.020 -19.128 1.00 0.00 H new ATOM 0 HE ARG A 35 23.566 -0.065 -17.973 1.00 0.00 H new ATOM 0 HH11 ARG A 35 21.613 0.768 -20.793 1.00 0.00 H new ATOM 0 HH12 ARG A 35 22.756 1.985 -21.370 1.00 0.00 H new ATOM 0 HH21 ARG A 35 25.031 1.499 -18.721 1.00 0.00 H new ATOM 0 HH22 ARG A 35 24.683 2.397 -20.202 1.00 0.00 H new ATOM 526 N LYS A 36 20.111 -2.328 -14.401 1.00 0.00 N ATOM 527 CA LYS A 36 19.185 -1.617 -13.528 1.00 0.00 C ATOM 528 C LYS A 36 18.883 -0.225 -14.073 1.00 0.00 C ATOM 529 O LYS A 36 19.664 0.708 -13.884 1.00 0.00 O ATOM 530 CB LYS A 36 19.764 -1.509 -12.116 1.00 0.00 C ATOM 531 CG LYS A 36 20.035 -2.855 -11.465 1.00 0.00 C ATOM 532 CD LYS A 36 18.789 -3.414 -10.800 1.00 0.00 C ATOM 533 CE LYS A 36 19.137 -4.263 -9.587 1.00 0.00 C ATOM 534 NZ LYS A 36 17.921 -4.694 -8.844 1.00 0.00 N ATOM 0 H LYS A 36 21.063 -2.394 -14.041 1.00 0.00 H new ATOM 0 HA LYS A 36 18.254 -2.183 -13.490 1.00 0.00 H new ATOM 0 HB2 LYS A 36 20.693 -0.940 -12.156 1.00 0.00 H new ATOM 0 HB3 LYS A 36 19.072 -0.945 -11.491 1.00 0.00 H new ATOM 0 HG2 LYS A 36 20.394 -3.558 -12.217 1.00 0.00 H new ATOM 0 HG3 LYS A 36 20.827 -2.749 -10.724 1.00 0.00 H new ATOM 0 HD2 LYS A 36 18.138 -2.594 -10.497 1.00 0.00 H new ATOM 0 HD3 LYS A 36 18.231 -4.015 -11.518 1.00 0.00 H new ATOM 0 HE2 LYS A 36 19.697 -5.141 -9.907 1.00 0.00 H new ATOM 0 HE3 LYS A 36 19.787 -3.696 -8.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 18.158 -5.497 -8.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.570 -3.904 -8.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 17.185 -4.982 -9.520 1.00 0.00 H new ATOM 782 N VAL A 51 12.996 -0.291 -13.208 1.00 0.00 N ATOM 783 CA VAL A 51 12.403 -0.842 -14.421 1.00 0.00 C ATOM 784 C VAL A 51 13.451 -1.546 -15.275 1.00 0.00 C ATOM 785 O VAL A 51 14.628 -1.595 -14.917 1.00 0.00 O ATOM 786 CB VAL A 51 11.724 0.255 -15.262 1.00 0.00 C ATOM 787 CG1 VAL A 51 10.601 0.914 -14.475 1.00 0.00 C ATOM 788 CG2 VAL A 51 12.745 1.287 -15.715 1.00 0.00 C ATOM 0 HA VAL A 51 11.651 -1.565 -14.105 1.00 0.00 H new ATOM 0 HB VAL A 51 11.291 -0.208 -16.149 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.133 1.686 -15.086 1.00 0.00 H new ATOM 0 HG12 VAL A 51 9.857 0.164 -14.206 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.007 1.364 -13.569 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.248 2.055 -16.308 1.00 0.00 H new ATOM 0 HG22 VAL A 51 13.210 1.747 -14.843 1.00 0.00 H new ATOM 0 HG23 VAL A 51 13.510 0.800 -16.320 1.00 0.00 H new ATOM 798 N TYR A 52 13.016 -2.091 -16.405 1.00 0.00 N ATOM 799 CA TYR A 52 13.916 -2.795 -17.311 1.00 0.00 C ATOM 800 C TYR A 52 13.541 -2.532 -18.766 1.00 0.00 C ATOM 801 O TYR A 52 12.565 -1.837 -19.052 1.00 0.00 O ATOM 802 CB TYR A 52 13.885 -4.298 -17.028 1.00 0.00 C ATOM 803 CG TYR A 52 14.286 -4.656 -15.615 1.00 0.00 C ATOM 804 CD1 TYR A 52 15.588 -4.462 -15.171 1.00 0.00 C ATOM 805 CD2 TYR A 52 13.363 -5.190 -14.724 1.00 0.00 C ATOM 806 CE1 TYR A 52 15.960 -4.788 -13.881 1.00 0.00 C ATOM 807 CE2 TYR A 52 13.725 -5.518 -13.432 1.00 0.00 C ATOM 808 CZ TYR A 52 15.024 -5.316 -13.015 1.00 0.00 C ATOM 809 OH TYR A 52 15.389 -5.643 -11.729 1.00 0.00 O ATOM 0 H TYR A 52 12.045 -2.059 -16.716 1.00 0.00 H new ATOM 0 HA TYR A 52 14.926 -2.421 -17.142 1.00 0.00 H new ATOM 0 HB2 TYR A 52 12.880 -4.674 -17.218 1.00 0.00 H new ATOM 0 HB3 TYR A 52 14.552 -4.804 -17.726 1.00 0.00 H new ATOM 0 HD1 TYR A 52 16.323 -4.049 -15.846 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.345 -5.351 -15.047 1.00 0.00 H new ATOM 0 HE1 TYR A 52 16.977 -4.631 -13.552 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.995 -5.931 -12.752 1.00 0.00 H new ATOM 0 HH TYR A 52 14.613 -6.001 -11.250 1.00 0.00 H new ATOM 819 N LEU A 53 14.322 -3.093 -19.682 1.00 0.00 N ATOM 820 CA LEU A 53 14.073 -2.921 -21.109 1.00 0.00 C ATOM 821 C LEU A 53 13.400 -4.157 -21.697 1.00 0.00 C ATOM 822 O LEU A 53 13.934 -5.264 -21.618 1.00 0.00 O ATOM 823 CB LEU A 53 15.384 -2.642 -21.846 1.00 0.00 C ATOM 824 CG LEU A 53 15.495 -1.277 -22.526 1.00 0.00 C ATOM 825 CD1 LEU A 53 16.841 -0.638 -22.223 1.00 0.00 C ATOM 826 CD2 LEU A 53 15.291 -1.411 -24.028 1.00 0.00 C ATOM 0 H LEU A 53 15.133 -3.671 -19.462 1.00 0.00 H new ATOM 0 HA LEU A 53 13.404 -2.070 -21.236 1.00 0.00 H new ATOM 0 HB2 LEU A 53 16.205 -2.739 -21.135 1.00 0.00 H new ATOM 0 HB3 LEU A 53 15.524 -3.415 -22.602 1.00 0.00 H new ATOM 0 HG LEU A 53 14.712 -0.630 -22.130 1.00 0.00 H new ATOM 0 HD11 LEU A 53 16.902 0.333 -22.715 1.00 0.00 H new ATOM 0 HD12 LEU A 53 16.947 -0.506 -21.146 1.00 0.00 H new ATOM 0 HD13 LEU A 53 17.640 -1.282 -22.590 1.00 0.00 H new ATOM 0 HD21 LEU A 53 15.373 -0.430 -24.495 1.00 0.00 H new ATOM 0 HD22 LEU A 53 16.051 -2.074 -24.441 1.00 0.00 H new ATOM 0 HD23 LEU A 53 14.302 -1.825 -24.225 1.00 0.00 H new ATOM 838 N ARG A 54 12.225 -3.960 -22.287 1.00 0.00 N ATOM 839 CA ARG A 54 11.479 -5.059 -22.889 1.00 0.00 C ATOM 840 C ARG A 54 12.343 -5.817 -23.894 1.00 0.00 C ATOM 841 O ARG A 54 12.142 -7.008 -24.126 1.00 0.00 O ATOM 842 CB ARG A 54 10.220 -4.531 -23.580 1.00 0.00 C ATOM 843 CG ARG A 54 8.928 -5.048 -22.969 1.00 0.00 C ATOM 844 CD ARG A 54 7.820 -4.010 -23.050 1.00 0.00 C ATOM 845 NE ARG A 54 7.041 -4.136 -24.279 1.00 0.00 N ATOM 846 CZ ARG A 54 6.125 -3.254 -24.661 1.00 0.00 C ATOM 847 NH1 ARG A 54 5.874 -2.187 -23.915 1.00 0.00 N ATOM 848 NH2 ARG A 54 5.457 -3.437 -25.793 1.00 0.00 N ATOM 0 H ARG A 54 11.770 -3.050 -22.361 1.00 0.00 H new ATOM 0 HA ARG A 54 11.189 -5.746 -22.094 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.222 -3.442 -23.537 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.250 -4.809 -24.634 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.617 -5.955 -23.487 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.099 -5.318 -21.927 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.159 -4.117 -22.190 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.254 -3.012 -22.997 1.00 0.00 H new ATOM 0 HE ARG A 54 7.210 -4.945 -24.876 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.385 -2.042 -23.044 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.170 -1.512 -24.212 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.647 -4.256 -26.371 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.754 -2.759 -26.085 1.00 0.00 H new ATOM 862 N SER A 55 13.304 -5.116 -24.487 1.00 0.00 N ATOM 863 CA SER A 55 14.196 -5.721 -25.469 1.00 0.00 C ATOM 864 C SER A 55 15.200 -6.649 -24.793 1.00 0.00 C ATOM 865 O SER A 55 15.620 -7.653 -25.368 1.00 0.00 O ATOM 866 CB SER A 55 14.936 -4.636 -26.255 1.00 0.00 C ATOM 867 OG SER A 55 16.227 -4.408 -25.717 1.00 0.00 O ATOM 0 H SER A 55 13.485 -4.129 -24.305 1.00 0.00 H new ATOM 0 HA SER A 55 13.591 -6.310 -26.158 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.021 -4.934 -27.300 1.00 0.00 H new ATOM 0 HB3 SER A 55 14.361 -3.710 -26.233 1.00 0.00 H new ATOM 0 HG SER A 55 16.680 -3.712 -26.237 1.00 0.00 H new ATOM 873 N ASP A 56 15.581 -6.305 -23.567 1.00 0.00 N ATOM 874 CA ASP A 56 16.535 -7.107 -22.810 1.00 0.00 C ATOM 875 C ASP A 56 15.850 -8.314 -22.177 1.00 0.00 C ATOM 876 O ASP A 56 16.324 -9.444 -22.295 1.00 0.00 O ATOM 877 CB ASP A 56 17.202 -6.257 -21.727 1.00 0.00 C ATOM 878 CG ASP A 56 18.576 -5.766 -22.141 1.00 0.00 C ATOM 879 OD1 ASP A 56 18.758 -5.452 -23.335 1.00 0.00 O ATOM 880 OD2 ASP A 56 19.469 -5.698 -21.270 1.00 0.00 O ATOM 0 H ASP A 56 15.244 -5.477 -23.077 1.00 0.00 H new ATOM 0 HA ASP A 56 17.298 -7.466 -23.500 1.00 0.00 H new ATOM 0 HB2 ASP A 56 16.567 -5.401 -21.499 1.00 0.00 H new ATOM 0 HB3 ASP A 56 17.289 -6.843 -20.812 1.00 0.00 H new ATOM 885 N VAL A 57 14.731 -8.066 -21.502 1.00 0.00 N ATOM 886 CA VAL A 57 13.980 -9.132 -20.850 1.00 0.00 C ATOM 887 C VAL A 57 13.571 -10.207 -21.850 1.00 0.00 C ATOM 888 O VAL A 57 13.384 -11.368 -21.485 1.00 0.00 O ATOM 889 CB VAL A 57 12.718 -8.585 -20.156 1.00 0.00 C ATOM 890 CG1 VAL A 57 12.006 -9.692 -19.394 1.00 0.00 C ATOM 891 CG2 VAL A 57 13.077 -7.434 -19.229 1.00 0.00 C ATOM 0 H VAL A 57 14.325 -7.137 -21.393 1.00 0.00 H new ATOM 0 HA VAL A 57 14.638 -9.570 -20.099 1.00 0.00 H new ATOM 0 HB VAL A 57 12.038 -8.208 -20.920 1.00 0.00 H new ATOM 0 HG11 VAL A 57 11.117 -9.287 -18.910 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.714 -10.481 -20.087 1.00 0.00 H new ATOM 0 HG13 VAL A 57 12.676 -10.102 -18.638 1.00 0.00 H new ATOM 0 HG21 VAL A 57 12.174 -7.060 -18.747 1.00 0.00 H new ATOM 0 HG22 VAL A 57 13.776 -7.783 -18.469 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.539 -6.633 -19.806 1.00 0.00 H new ATOM 901 N GLU A 58 13.435 -9.813 -23.112 1.00 0.00 N ATOM 902 CA GLU A 58 13.048 -10.745 -24.165 1.00 0.00 C ATOM 903 C GLU A 58 14.028 -11.913 -24.245 1.00 0.00 C ATOM 904 O GLU A 58 13.623 -13.074 -24.282 1.00 0.00 O ATOM 905 CB GLU A 58 12.982 -10.026 -25.514 1.00 0.00 C ATOM 906 CG GLU A 58 12.341 -10.855 -26.615 1.00 0.00 C ATOM 907 CD GLU A 58 12.095 -10.055 -27.879 1.00 0.00 C ATOM 908 OE1 GLU A 58 13.024 -9.950 -28.706 1.00 0.00 O ATOM 909 OE2 GLU A 58 10.971 -9.534 -28.041 1.00 0.00 O ATOM 0 H GLU A 58 13.587 -8.856 -23.430 1.00 0.00 H new ATOM 0 HA GLU A 58 12.061 -11.138 -23.923 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.421 -9.099 -25.395 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.991 -9.750 -25.819 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.984 -11.704 -26.846 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.395 -11.260 -26.256 1.00 0.00 H new ATOM 916 N ALA A 59 15.318 -11.594 -24.273 1.00 0.00 N ATOM 917 CA ALA A 59 16.355 -12.615 -24.348 1.00 0.00 C ATOM 918 C ALA A 59 16.455 -13.393 -23.040 1.00 0.00 C ATOM 919 O ALA A 59 16.730 -14.593 -23.039 1.00 0.00 O ATOM 920 CB ALA A 59 17.695 -11.982 -24.691 1.00 0.00 C ATOM 0 H ALA A 59 15.669 -10.637 -24.245 1.00 0.00 H new ATOM 0 HA ALA A 59 16.084 -13.316 -25.138 1.00 0.00 H new ATOM 0 HB1 ALA A 59 18.460 -12.756 -24.744 1.00 0.00 H new ATOM 0 HB2 ALA A 59 17.623 -11.477 -25.654 1.00 0.00 H new ATOM 0 HB3 ALA A 59 17.963 -11.259 -23.921 1.00 0.00 H new ATOM 926 N LYS A 60 16.229 -12.703 -21.928 1.00 0.00 N ATOM 927 CA LYS A 60 16.293 -13.329 -20.612 1.00 0.00 C ATOM 928 C LYS A 60 15.342 -14.518 -20.529 1.00 0.00 C ATOM 929 O LYS A 60 15.562 -15.448 -19.753 1.00 0.00 O ATOM 930 CB LYS A 60 15.949 -12.310 -19.523 1.00 0.00 C ATOM 931 CG LYS A 60 15.969 -12.890 -18.120 1.00 0.00 C ATOM 932 CD LYS A 60 17.352 -13.395 -17.744 1.00 0.00 C ATOM 933 CE LYS A 60 18.360 -12.259 -17.674 1.00 0.00 C ATOM 934 NZ LYS A 60 19.461 -12.552 -16.714 1.00 0.00 N ATOM 0 H LYS A 60 16.000 -11.709 -21.911 1.00 0.00 H new ATOM 0 HA LYS A 60 17.310 -13.688 -20.457 1.00 0.00 H new ATOM 0 HB2 LYS A 60 16.656 -11.482 -19.575 1.00 0.00 H new ATOM 0 HB3 LYS A 60 14.960 -11.897 -19.723 1.00 0.00 H new ATOM 0 HG2 LYS A 60 15.652 -12.129 -17.406 1.00 0.00 H new ATOM 0 HG3 LYS A 60 15.252 -13.708 -18.053 1.00 0.00 H new ATOM 0 HD2 LYS A 60 17.306 -13.902 -16.780 1.00 0.00 H new ATOM 0 HD3 LYS A 60 17.683 -14.132 -18.476 1.00 0.00 H new ATOM 0 HE2 LYS A 60 18.779 -12.084 -18.665 1.00 0.00 H new ATOM 0 HE3 LYS A 60 17.853 -11.341 -17.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 20.347 -12.134 -17.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 19.229 -12.145 -15.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 19.577 -13.581 -16.622 1.00 0.00 H new ATOM 948 N SER A 61 14.284 -14.482 -21.334 1.00 0.00 N ATOM 949 CA SER A 61 13.298 -15.556 -21.349 1.00 0.00 C ATOM 950 C SER A 61 13.768 -16.712 -22.228 1.00 0.00 C ATOM 951 O SER A 61 13.376 -17.862 -22.023 1.00 0.00 O ATOM 952 CB SER A 61 11.951 -15.033 -21.851 1.00 0.00 C ATOM 953 OG SER A 61 11.721 -15.424 -23.194 1.00 0.00 O ATOM 0 H SER A 61 14.088 -13.721 -21.984 1.00 0.00 H new ATOM 0 HA SER A 61 13.180 -15.922 -20.329 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.150 -15.413 -21.216 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.929 -13.946 -21.776 1.00 0.00 H new ATOM 0 HG SER A 61 12.217 -14.832 -23.797 1.00 0.00 H new ATOM 959 N LEU A 62 14.609 -16.398 -23.207 1.00 0.00 N ATOM 960 CA LEU A 62 15.133 -17.410 -24.118 1.00 0.00 C ATOM 961 C LEU A 62 16.337 -18.122 -23.508 1.00 0.00 C ATOM 962 O LEU A 62 16.552 -19.309 -23.745 1.00 0.00 O ATOM 963 CB LEU A 62 15.527 -16.769 -25.450 1.00 0.00 C ATOM 964 CG LEU A 62 14.523 -15.778 -26.041 1.00 0.00 C ATOM 965 CD1 LEU A 62 14.985 -15.303 -27.410 1.00 0.00 C ATOM 966 CD2 LEU A 62 13.141 -16.409 -26.132 1.00 0.00 C ATOM 0 H LEU A 62 14.943 -15.452 -23.390 1.00 0.00 H new ATOM 0 HA LEU A 62 14.349 -18.147 -24.293 1.00 0.00 H new ATOM 0 HB2 LEU A 62 16.479 -16.255 -25.315 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.694 -17.563 -26.177 1.00 0.00 H new ATOM 0 HG LEU A 62 14.463 -14.913 -25.380 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.258 -14.599 -27.815 1.00 0.00 H new ATOM 0 HD12 LEU A 62 15.954 -14.812 -27.317 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.075 -16.158 -28.081 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.440 -15.690 -26.555 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.185 -17.291 -26.771 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.807 -16.699 -25.136 1.00 0.00 H new ATOM 978 N GLU A 63 17.115 -17.387 -22.720 1.00 0.00 N ATOM 979 CA GLU A 63 18.296 -17.949 -22.074 1.00 0.00 C ATOM 980 C GLU A 63 17.900 -18.863 -20.917 1.00 0.00 C ATOM 981 O GLU A 63 18.646 -19.767 -20.543 1.00 0.00 O ATOM 982 CB GLU A 63 19.209 -16.831 -21.567 1.00 0.00 C ATOM 983 CG GLU A 63 18.683 -16.134 -20.324 1.00 0.00 C ATOM 984 CD GLU A 63 19.388 -16.586 -19.059 1.00 0.00 C ATOM 985 OE1 GLU A 63 19.120 -17.716 -18.602 1.00 0.00 O ATOM 986 OE2 GLU A 63 20.208 -15.808 -18.527 1.00 0.00 O ATOM 0 H GLU A 63 16.949 -16.402 -22.513 1.00 0.00 H new ATOM 0 HA GLU A 63 18.836 -18.541 -22.813 1.00 0.00 H new ATOM 0 HB2 GLU A 63 20.193 -17.247 -21.351 1.00 0.00 H new ATOM 0 HB3 GLU A 63 19.341 -16.094 -22.359 1.00 0.00 H new ATOM 0 HG2 GLU A 63 18.804 -15.057 -20.438 1.00 0.00 H new ATOM 0 HG3 GLU A 63 17.614 -16.327 -20.229 1.00 0.00 H new ATOM 993 N VAL A 64 16.721 -18.618 -20.354 1.00 0.00 N ATOM 994 CA VAL A 64 16.225 -19.417 -19.240 1.00 0.00 C ATOM 995 C VAL A 64 15.391 -20.593 -19.736 1.00 0.00 C ATOM 996 O VAL A 64 15.831 -21.741 -19.692 1.00 0.00 O ATOM 997 CB VAL A 64 15.375 -18.569 -18.276 1.00 0.00 C ATOM 998 CG1 VAL A 64 14.822 -19.432 -17.152 1.00 0.00 C ATOM 999 CG2 VAL A 64 16.195 -17.415 -17.718 1.00 0.00 C ATOM 0 H VAL A 64 16.092 -17.872 -20.651 1.00 0.00 H new ATOM 0 HA VAL A 64 17.098 -19.794 -18.707 1.00 0.00 H new ATOM 0 HB VAL A 64 14.534 -18.153 -18.831 1.00 0.00 H new ATOM 0 HG11 VAL A 64 14.224 -18.816 -16.481 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.198 -20.221 -17.572 1.00 0.00 H new ATOM 0 HG13 VAL A 64 15.647 -19.878 -16.597 1.00 0.00 H new ATOM 0 HG21 VAL A 64 15.579 -16.826 -17.039 1.00 0.00 H new ATOM 0 HG22 VAL A 64 17.056 -17.808 -17.178 1.00 0.00 H new ATOM 0 HG23 VAL A 64 16.538 -16.783 -18.537 1.00 0.00 H new ATOM 1009 N TRP A 65 14.185 -20.298 -20.207 1.00 0.00 N ATOM 1010 CA TRP A 65 13.288 -21.331 -20.713 1.00 0.00 C ATOM 1011 C TRP A 65 13.917 -22.069 -21.889 1.00 0.00 C ATOM 1012 O TRP A 65 13.588 -23.224 -22.156 1.00 0.00 O ATOM 1013 CB TRP A 65 11.954 -20.715 -21.135 1.00 0.00 C ATOM 1014 CG TRP A 65 11.018 -20.481 -19.988 1.00 0.00 C ATOM 1015 CD1 TRP A 65 10.837 -19.314 -19.302 1.00 0.00 C ATOM 1016 CD2 TRP A 65 10.136 -21.440 -19.392 1.00 0.00 C ATOM 1017 NE1 TRP A 65 9.896 -19.489 -18.316 1.00 0.00 N ATOM 1018 CE2 TRP A 65 9.451 -20.784 -18.351 1.00 0.00 C ATOM 1019 CE3 TRP A 65 9.859 -22.787 -19.638 1.00 0.00 C ATOM 1020 CZ2 TRP A 65 8.507 -21.432 -17.558 1.00 0.00 C ATOM 1021 CZ3 TRP A 65 8.922 -23.429 -18.850 1.00 0.00 C ATOM 1022 CH2 TRP A 65 8.255 -22.751 -17.821 1.00 0.00 C ATOM 0 H TRP A 65 13.805 -19.352 -20.249 1.00 0.00 H new ATOM 0 HA TRP A 65 13.111 -22.048 -19.912 1.00 0.00 H new ATOM 0 HB2 TRP A 65 12.143 -19.767 -21.639 1.00 0.00 H new ATOM 0 HB3 TRP A 65 11.472 -21.371 -21.860 1.00 0.00 H new ATOM 0 HD1 TRP A 65 11.357 -18.389 -19.505 1.00 0.00 H new ATOM 0 HE1 TRP A 65 9.580 -18.771 -17.664 1.00 0.00 H new ATOM 0 HE3 TRP A 65 10.368 -23.317 -20.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 7.992 -20.912 -16.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 8.700 -24.470 -19.031 1.00 0.00 H new ATOM 0 HH2 TRP A 65 7.527 -23.280 -17.223 1.00 0.00 H new ATOM 1033 N GLY A 66 14.823 -21.395 -22.590 1.00 0.00 N ATOM 1034 CA GLY A 66 15.483 -22.004 -23.730 1.00 0.00 C ATOM 1035 C GLY A 66 15.017 -21.421 -25.049 1.00 0.00 C ATOM 1036 O GLY A 66 15.819 -21.204 -25.958 1.00 0.00 O ATOM 0 H GLY A 66 15.112 -20.438 -22.389 1.00 0.00 H new ATOM 0 HA2 GLY A 66 16.561 -21.869 -23.637 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.295 -23.078 -23.724 1.00 0.00 H new ATOM 1040 N SER A 67 13.716 -21.167 -25.156 1.00 0.00 N ATOM 1041 CA SER A 67 13.144 -20.611 -26.376 1.00 0.00 C ATOM 1042 C SER A 67 11.847 -19.864 -26.076 1.00 0.00 C ATOM 1043 O SER A 67 11.213 -20.061 -25.040 1.00 0.00 O ATOM 1044 CB SER A 67 12.882 -21.722 -27.394 1.00 0.00 C ATOM 1045 OG SER A 67 13.435 -22.953 -26.961 1.00 0.00 O ATOM 0 H SER A 67 13.039 -21.338 -24.412 1.00 0.00 H new ATOM 0 HA SER A 67 13.861 -19.905 -26.796 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.808 -21.835 -27.545 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.312 -21.446 -28.357 1.00 0.00 H new ATOM 0 HG SER A 67 13.252 -23.647 -27.629 1.00 0.00 H new ATOM 1051 N PRO A 68 11.443 -18.986 -27.006 1.00 0.00 N ATOM 1052 CA PRO A 68 10.219 -18.191 -26.865 1.00 0.00 C ATOM 1053 C PRO A 68 8.959 -19.042 -26.981 1.00 0.00 C ATOM 1054 O PRO A 68 7.885 -18.639 -26.538 1.00 0.00 O ATOM 1055 CB PRO A 68 10.304 -17.200 -28.028 1.00 0.00 C ATOM 1056 CG PRO A 68 11.159 -17.878 -29.042 1.00 0.00 C ATOM 1057 CD PRO A 68 12.150 -18.700 -28.266 1.00 0.00 C ATOM 0 HA PRO A 68 10.152 -17.716 -25.886 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.316 -16.976 -28.430 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.742 -16.254 -27.710 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.560 -18.508 -29.699 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.667 -17.149 -29.674 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.415 -19.615 -28.795 1.00 0.00 H new ATOM 0 HD3 PRO A 68 13.077 -18.153 -28.092 1.00 0.00 H new ATOM 1065 N GLU A 69 9.100 -20.221 -27.579 1.00 0.00 N ATOM 1066 CA GLU A 69 7.972 -21.128 -27.753 1.00 0.00 C ATOM 1067 C GLU A 69 7.580 -21.771 -26.426 1.00 0.00 C ATOM 1068 O GLU A 69 6.417 -22.107 -26.206 1.00 0.00 O ATOM 1069 CB GLU A 69 8.314 -22.213 -28.777 1.00 0.00 C ATOM 1070 CG GLU A 69 8.035 -21.805 -30.213 1.00 0.00 C ATOM 1071 CD GLU A 69 7.806 -22.995 -31.124 1.00 0.00 C ATOM 1072 OE1 GLU A 69 8.424 -24.054 -30.885 1.00 0.00 O ATOM 1073 OE2 GLU A 69 7.009 -22.868 -32.077 1.00 0.00 O ATOM 0 H GLU A 69 9.983 -20.570 -27.951 1.00 0.00 H new ATOM 0 HA GLU A 69 7.126 -20.547 -28.119 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.368 -22.472 -28.680 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.742 -23.112 -28.546 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.158 -21.158 -30.239 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.874 -21.220 -30.590 1.00 0.00 H new ATOM 1080 N ALA A 70 8.561 -21.938 -25.545 1.00 0.00 N ATOM 1081 CA ALA A 70 8.320 -22.539 -24.239 1.00 0.00 C ATOM 1082 C ALA A 70 7.487 -21.616 -23.355 1.00 0.00 C ATOM 1083 O ALA A 70 6.517 -22.047 -22.731 1.00 0.00 O ATOM 1084 CB ALA A 70 9.640 -22.873 -23.560 1.00 0.00 C ATOM 0 H ALA A 70 9.530 -21.666 -25.712 1.00 0.00 H new ATOM 0 HA ALA A 70 7.758 -23.461 -24.389 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.445 -23.321 -22.586 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.199 -23.576 -24.177 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.223 -21.961 -23.430 1.00 0.00 H new ATOM 1090 N LEU A 71 7.872 -20.346 -23.307 1.00 0.00 N ATOM 1091 CA LEU A 71 7.160 -19.362 -22.498 1.00 0.00 C ATOM 1092 C LEU A 71 5.774 -19.086 -23.072 1.00 0.00 C ATOM 1093 O LEU A 71 4.808 -18.912 -22.330 1.00 0.00 O ATOM 1094 CB LEU A 71 7.961 -18.061 -22.422 1.00 0.00 C ATOM 1095 CG LEU A 71 7.224 -16.851 -21.845 1.00 0.00 C ATOM 1096 CD1 LEU A 71 6.830 -17.107 -20.398 1.00 0.00 C ATOM 1097 CD2 LEU A 71 8.085 -15.601 -21.953 1.00 0.00 C ATOM 0 H LEU A 71 8.672 -19.973 -23.818 1.00 0.00 H new ATOM 0 HA LEU A 71 7.043 -19.769 -21.494 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.851 -18.241 -21.819 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.302 -17.809 -23.426 1.00 0.00 H new ATOM 0 HG LEU A 71 6.315 -16.692 -22.425 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.307 -16.236 -20.004 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.175 -17.977 -20.348 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.725 -17.292 -19.804 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.545 -14.750 -21.538 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.012 -15.748 -21.398 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.316 -15.408 -23.001 1.00 0.00 H new ATOM 1109 N ALA A 72 5.685 -19.049 -24.398 1.00 0.00 N ATOM 1110 CA ALA A 72 4.416 -18.798 -25.071 1.00 0.00 C ATOM 1111 C ALA A 72 3.355 -19.802 -24.633 1.00 0.00 C ATOM 1112 O ALA A 72 2.159 -19.517 -24.684 1.00 0.00 O ATOM 1113 CB ALA A 72 4.601 -18.847 -26.580 1.00 0.00 C ATOM 0 H ALA A 72 6.476 -19.190 -25.027 1.00 0.00 H new ATOM 0 HA ALA A 72 4.074 -17.802 -24.790 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.646 -18.658 -27.070 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.321 -18.087 -26.883 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.969 -19.831 -26.870 1.00 0.00 H new ATOM 1119 N ARG A 73 3.801 -20.979 -24.205 1.00 0.00 N ATOM 1120 CA ARG A 73 2.889 -22.026 -23.761 1.00 0.00 C ATOM 1121 C ARG A 73 2.030 -21.540 -22.597 1.00 0.00 C ATOM 1122 O ARG A 73 0.859 -21.903 -22.484 1.00 0.00 O ATOM 1123 CB ARG A 73 3.673 -23.272 -23.345 1.00 0.00 C ATOM 1124 CG ARG A 73 4.515 -23.863 -24.464 1.00 0.00 C ATOM 1125 CD ARG A 73 3.941 -25.183 -24.955 1.00 0.00 C ATOM 1126 NE ARG A 73 4.532 -25.598 -26.224 1.00 0.00 N ATOM 1127 CZ ARG A 73 4.201 -26.718 -26.857 1.00 0.00 C ATOM 1128 NH1 ARG A 73 3.288 -27.530 -26.342 1.00 0.00 N ATOM 1129 NH2 ARG A 73 4.783 -27.027 -28.009 1.00 0.00 N ATOM 0 H ARG A 73 4.788 -21.231 -24.156 1.00 0.00 H new ATOM 0 HA ARG A 73 2.233 -22.279 -24.594 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.323 -23.019 -22.507 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.974 -24.029 -22.989 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.568 -23.157 -25.293 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.535 -24.017 -24.111 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.114 -25.955 -24.205 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.861 -25.088 -25.072 1.00 0.00 H new ATOM 0 HE ARG A 73 5.237 -24.995 -26.648 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.838 -27.295 -25.457 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.036 -28.389 -26.830 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.485 -26.404 -28.409 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.528 -27.887 -28.494 1.00 0.00 H new ATOM 1143 N GLU A 74 2.620 -20.719 -21.734 1.00 0.00 N ATOM 1144 CA GLU A 74 1.908 -20.185 -20.579 1.00 0.00 C ATOM 1145 C GLU A 74 1.203 -18.879 -20.930 1.00 0.00 C ATOM 1146 O GLU A 74 0.173 -18.539 -20.346 1.00 0.00 O ATOM 1147 CB GLU A 74 2.876 -19.959 -19.416 1.00 0.00 C ATOM 1148 CG GLU A 74 2.987 -21.148 -18.476 1.00 0.00 C ATOM 1149 CD GLU A 74 1.816 -21.245 -17.517 1.00 0.00 C ATOM 1150 OE1 GLU A 74 1.820 -20.517 -16.502 1.00 0.00 O ATOM 1151 OE2 GLU A 74 0.897 -22.048 -17.781 1.00 0.00 O ATOM 0 H GLU A 74 3.589 -20.409 -21.813 1.00 0.00 H new ATOM 0 HA GLU A 74 1.155 -20.914 -20.279 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.864 -19.729 -19.816 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.551 -19.087 -18.848 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.049 -22.065 -19.062 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.913 -21.071 -17.906 1.00 0.00 H new ATOM 1158 N LYS A 75 1.765 -18.149 -21.887 1.00 0.00 N ATOM 1159 CA LYS A 75 1.192 -16.879 -22.318 1.00 0.00 C ATOM 1160 C LYS A 75 -0.144 -17.096 -23.023 1.00 0.00 C ATOM 1161 O LYS A 75 -1.074 -16.305 -22.870 1.00 0.00 O ATOM 1162 CB LYS A 75 2.160 -16.149 -23.251 1.00 0.00 C ATOM 1163 CG LYS A 75 3.531 -15.912 -22.641 1.00 0.00 C ATOM 1164 CD LYS A 75 4.037 -14.510 -22.934 1.00 0.00 C ATOM 1165 CE LYS A 75 3.622 -13.530 -21.847 1.00 0.00 C ATOM 1166 NZ LYS A 75 2.893 -12.357 -22.406 1.00 0.00 N ATOM 0 H LYS A 75 2.618 -18.415 -22.380 1.00 0.00 H new ATOM 0 HA LYS A 75 1.021 -16.268 -21.432 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.275 -16.728 -24.167 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.726 -15.190 -23.532 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.482 -16.064 -21.563 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.237 -16.644 -23.034 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.124 -14.524 -23.017 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.648 -14.175 -23.896 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.988 -14.040 -21.122 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.507 -13.186 -21.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.687 -11.681 -21.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.481 -11.895 -23.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.001 -12.675 -22.836 1.00 0.00 H new