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= 0.146 USER MOD Single : A 22 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 25 CYS SG : rot 26:sc= 0.895 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -73:sc= 0.065 USER MOD Single : A 60 LYS NZ :NH3+ 168:sc= 0.0307 (180deg=0.0105) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -119:sc= 0.115 (180deg=-0.0297) USER MOD ----------------------------------------------------------------- ATOM 168 N PHE A 14 9.386 1.098 -21.334 1.00 0.00 N ATOM 169 CA PHE A 14 9.915 0.146 -20.365 1.00 0.00 C ATOM 170 C PHE A 14 8.803 -0.744 -19.815 1.00 0.00 C ATOM 171 O PHE A 14 7.623 -0.404 -19.898 1.00 0.00 O ATOM 172 CB PHE A 14 10.607 0.884 -19.217 1.00 0.00 C ATOM 173 CG PHE A 14 11.612 1.900 -19.678 1.00 0.00 C ATOM 174 CD1 PHE A 14 12.739 1.509 -20.383 1.00 0.00 C ATOM 175 CD2 PHE A 14 11.430 3.247 -19.406 1.00 0.00 C ATOM 176 CE1 PHE A 14 13.666 2.442 -20.809 1.00 0.00 C ATOM 177 CE2 PHE A 14 12.353 4.184 -19.829 1.00 0.00 C ATOM 178 CZ PHE A 14 13.473 3.781 -20.530 1.00 0.00 C ATOM 0 HA PHE A 14 10.644 -0.484 -20.874 1.00 0.00 H new ATOM 0 HB2 PHE A 14 9.852 1.382 -18.608 1.00 0.00 H new ATOM 0 HB3 PHE A 14 11.105 0.157 -18.576 1.00 0.00 H new ATOM 0 HD1 PHE A 14 12.895 0.463 -20.602 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.557 3.568 -18.857 1.00 0.00 H new ATOM 0 HE1 PHE A 14 14.540 2.124 -21.359 1.00 0.00 H new ATOM 0 HE2 PHE A 14 12.199 5.231 -19.612 1.00 0.00 H new ATOM 0 HZ PHE A 14 14.197 4.512 -20.859 1.00 0.00 H new ATOM 188 N ILE A 15 9.190 -1.886 -19.256 1.00 0.00 N ATOM 189 CA ILE A 15 8.228 -2.825 -18.693 1.00 0.00 C ATOM 190 C ILE A 15 8.460 -3.020 -17.198 1.00 0.00 C ATOM 191 O ILE A 15 9.594 -3.200 -16.753 1.00 0.00 O ATOM 192 CB ILE A 15 8.299 -4.193 -19.395 1.00 0.00 C ATOM 193 CG1 ILE A 15 7.278 -5.157 -18.787 1.00 0.00 C ATOM 194 CG2 ILE A 15 9.704 -4.768 -19.292 1.00 0.00 C ATOM 195 CD1 ILE A 15 7.061 -6.407 -19.611 1.00 0.00 C ATOM 0 H ILE A 15 10.163 -2.183 -19.181 1.00 0.00 H new ATOM 0 HA ILE A 15 7.239 -2.396 -18.852 1.00 0.00 H new ATOM 0 HB ILE A 15 8.059 -4.057 -20.449 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.610 -5.443 -17.789 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.326 -4.639 -18.670 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.739 -5.735 -19.793 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.411 -4.088 -19.767 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.970 -4.893 -18.242 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.325 -7.044 -19.120 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.699 -6.132 -20.601 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.003 -6.948 -19.706 1.00 0.00 H new ATOM 207 N THR A 16 7.378 -2.984 -16.427 1.00 0.00 N ATOM 208 CA THR A 16 7.463 -3.157 -14.982 1.00 0.00 C ATOM 209 C THR A 16 8.104 -4.493 -14.626 1.00 0.00 C ATOM 210 O THR A 16 7.873 -5.501 -15.292 1.00 0.00 O ATOM 211 CB THR A 16 6.072 -3.077 -14.324 1.00 0.00 C ATOM 212 OG1 THR A 16 5.086 -2.735 -15.304 1.00 0.00 O ATOM 213 CG2 THR A 16 6.062 -2.046 -13.205 1.00 0.00 C ATOM 0 H THR A 16 6.432 -2.837 -16.779 1.00 0.00 H new ATOM 0 HA THR A 16 8.084 -2.346 -14.602 1.00 0.00 H new ATOM 0 HB THR A 16 5.838 -4.053 -13.899 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.204 -2.688 -14.878 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.070 -2.007 -12.755 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.794 -2.325 -12.447 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.315 -1.066 -13.610 1.00 0.00 H new ATOM 221 N GLY A 17 8.912 -4.493 -13.570 1.00 0.00 N ATOM 222 CA GLY A 17 9.575 -5.712 -13.142 1.00 0.00 C ATOM 223 C GLY A 17 8.596 -6.832 -12.850 1.00 0.00 C ATOM 224 O GLY A 17 8.628 -7.879 -13.496 1.00 0.00 O ATOM 0 H GLY A 17 9.119 -3.671 -13.003 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.271 -6.035 -13.916 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.165 -5.507 -12.249 1.00 0.00 H new ATOM 228 N VAL A 18 7.724 -6.612 -11.871 1.00 0.00 N ATOM 229 CA VAL A 18 6.732 -7.612 -11.493 1.00 0.00 C ATOM 230 C VAL A 18 5.922 -8.067 -12.701 1.00 0.00 C ATOM 231 O VAL A 18 5.454 -9.204 -12.756 1.00 0.00 O ATOM 232 CB VAL A 18 5.770 -7.069 -10.419 1.00 0.00 C ATOM 233 CG1 VAL A 18 4.937 -5.925 -10.976 1.00 0.00 C ATOM 234 CG2 VAL A 18 4.876 -8.183 -9.893 1.00 0.00 C ATOM 0 H VAL A 18 7.684 -5.751 -11.326 1.00 0.00 H new ATOM 0 HA VAL A 18 7.279 -8.462 -11.085 1.00 0.00 H new ATOM 0 HB VAL A 18 6.361 -6.685 -9.588 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.264 -5.555 -10.203 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.596 -5.119 -11.300 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.353 -6.280 -11.826 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.203 -7.782 -9.135 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.292 -8.599 -10.714 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.492 -8.967 -9.453 1.00 0.00 H new ATOM 244 N ARG A 19 5.760 -7.171 -13.670 1.00 0.00 N ATOM 245 CA ARG A 19 5.005 -7.480 -14.878 1.00 0.00 C ATOM 246 C ARG A 19 5.745 -8.505 -15.733 1.00 0.00 C ATOM 247 O ARG A 19 5.141 -9.437 -16.263 1.00 0.00 O ATOM 248 CB ARG A 19 4.757 -6.207 -15.690 1.00 0.00 C ATOM 249 CG ARG A 19 3.384 -5.596 -15.460 1.00 0.00 C ATOM 250 CD ARG A 19 2.942 -4.758 -16.649 1.00 0.00 C ATOM 251 NE ARG A 19 1.954 -3.750 -16.271 1.00 0.00 N ATOM 252 CZ ARG A 19 0.692 -4.035 -15.969 1.00 0.00 C ATOM 253 NH1 ARG A 19 0.267 -5.290 -16.001 1.00 0.00 N ATOM 254 NH2 ARG A 19 -0.147 -3.063 -15.635 1.00 0.00 N ATOM 0 H ARG A 19 6.142 -6.226 -13.641 1.00 0.00 H new ATOM 0 HA ARG A 19 4.047 -7.904 -14.579 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.520 -5.471 -15.438 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.871 -6.434 -16.750 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.657 -6.388 -15.281 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.406 -4.976 -14.564 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.810 -4.268 -17.090 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.521 -5.409 -17.415 1.00 0.00 H new ATOM 0 HE ARG A 19 2.249 -2.774 -16.237 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.909 -6.040 -16.258 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.702 -5.506 -15.769 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.177 -2.096 -15.610 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.116 -3.283 -15.403 1.00 0.00 H new ATOM 268 N ALA A 20 7.055 -8.324 -15.864 1.00 0.00 N ATOM 269 CA ALA A 20 7.877 -9.234 -16.653 1.00 0.00 C ATOM 270 C ALA A 20 8.034 -10.579 -15.952 1.00 0.00 C ATOM 271 O ALA A 20 7.968 -11.632 -16.588 1.00 0.00 O ATOM 272 CB ALA A 20 9.240 -8.614 -16.923 1.00 0.00 C ATOM 0 H ALA A 20 7.570 -7.556 -15.434 1.00 0.00 H new ATOM 0 HA ALA A 20 7.374 -9.407 -17.605 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.843 -9.304 -17.513 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.113 -7.682 -17.473 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.742 -8.411 -15.977 1.00 0.00 H new ATOM 278 N ILE A 21 8.244 -10.537 -14.641 1.00 0.00 N ATOM 279 CA ILE A 21 8.411 -11.753 -13.855 1.00 0.00 C ATOM 280 C ILE A 21 7.177 -12.644 -13.952 1.00 0.00 C ATOM 281 O ILE A 21 7.263 -13.861 -13.793 1.00 0.00 O ATOM 282 CB ILE A 21 8.684 -11.433 -12.374 1.00 0.00 C ATOM 283 CG1 ILE A 21 9.926 -10.550 -12.240 1.00 0.00 C ATOM 284 CG2 ILE A 21 8.853 -12.718 -11.577 1.00 0.00 C ATOM 285 CD1 ILE A 21 10.070 -9.912 -10.876 1.00 0.00 C ATOM 0 H ILE A 21 8.303 -9.674 -14.101 1.00 0.00 H new ATOM 0 HA ILE A 21 9.271 -12.280 -14.269 1.00 0.00 H new ATOM 0 HB ILE A 21 7.830 -10.888 -11.972 1.00 0.00 H new ATOM 0 HG12 ILE A 21 10.812 -11.150 -12.447 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.888 -9.766 -12.997 1.00 0.00 H new ATOM 0 HG21 ILE A 21 9.045 -12.475 -10.532 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.943 -13.314 -11.650 1.00 0.00 H new ATOM 0 HG23 ILE A 21 9.692 -13.287 -11.978 1.00 0.00 H new ATOM 0 HD11 ILE A 21 10.972 -9.301 -10.854 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.202 -9.285 -10.674 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.140 -10.690 -10.116 1.00 0.00 H new ATOM 297 N ASN A 22 6.029 -12.029 -14.217 1.00 0.00 N ATOM 298 CA ASN A 22 4.776 -12.766 -14.337 1.00 0.00 C ATOM 299 C ASN A 22 4.533 -13.193 -15.781 1.00 0.00 C ATOM 300 O ASN A 22 4.257 -14.360 -16.055 1.00 0.00 O ATOM 301 CB ASN A 22 3.608 -11.911 -13.842 1.00 0.00 C ATOM 302 CG ASN A 22 3.329 -12.113 -12.365 1.00 0.00 C ATOM 303 OD1 ASN A 22 2.565 -12.999 -11.981 1.00 0.00 O ATOM 304 ND2 ASN A 22 3.949 -11.289 -11.528 1.00 0.00 N ATOM 0 H ASN A 22 5.940 -11.022 -14.353 1.00 0.00 H new ATOM 0 HA ASN A 22 4.849 -13.661 -13.720 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.827 -10.859 -14.027 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.714 -12.156 -14.415 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.800 -11.376 -10.523 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.574 -10.569 -11.891 1.00 0.00 H new ATOM 311 N GLU A 23 4.637 -12.238 -16.701 1.00 0.00 N ATOM 312 CA GLU A 23 4.428 -12.515 -18.117 1.00 0.00 C ATOM 313 C GLU A 23 5.448 -13.528 -18.629 1.00 0.00 C ATOM 314 O GLU A 23 5.085 -14.587 -19.141 1.00 0.00 O ATOM 315 CB GLU A 23 4.521 -11.224 -18.932 1.00 0.00 C ATOM 316 CG GLU A 23 3.311 -10.318 -18.778 1.00 0.00 C ATOM 317 CD GLU A 23 2.276 -10.539 -19.864 1.00 0.00 C ATOM 318 OE1 GLU A 23 2.675 -10.785 -21.021 1.00 0.00 O ATOM 319 OE2 GLU A 23 1.068 -10.464 -19.557 1.00 0.00 O ATOM 0 H GLU A 23 4.865 -11.266 -16.490 1.00 0.00 H new ATOM 0 HA GLU A 23 3.430 -12.938 -18.235 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.414 -10.677 -18.630 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.643 -11.477 -19.985 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.853 -10.491 -17.804 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.636 -9.278 -18.797 1.00 0.00 H new ATOM 326 N PHE A 24 6.727 -13.194 -18.488 1.00 0.00 N ATOM 327 CA PHE A 24 7.800 -14.073 -18.937 1.00 0.00 C ATOM 328 C PHE A 24 7.965 -15.258 -17.991 1.00 0.00 C ATOM 329 O PHE A 24 8.598 -16.258 -18.335 1.00 0.00 O ATOM 330 CB PHE A 24 9.116 -13.297 -19.035 1.00 0.00 C ATOM 331 CG PHE A 24 9.139 -12.294 -20.153 1.00 0.00 C ATOM 332 CD1 PHE A 24 8.694 -10.998 -19.948 1.00 0.00 C ATOM 333 CD2 PHE A 24 9.605 -12.648 -21.409 1.00 0.00 C ATOM 334 CE1 PHE A 24 8.714 -10.073 -20.975 1.00 0.00 C ATOM 335 CE2 PHE A 24 9.628 -11.727 -22.439 1.00 0.00 C ATOM 336 CZ PHE A 24 9.181 -10.438 -22.222 1.00 0.00 C ATOM 0 H PHE A 24 7.045 -12.321 -18.067 1.00 0.00 H new ATOM 0 HA PHE A 24 7.535 -14.453 -19.924 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.296 -12.782 -18.092 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.935 -14.003 -19.174 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.327 -10.707 -18.975 1.00 0.00 H new ATOM 0 HD2 PHE A 24 9.954 -13.655 -21.585 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.365 -9.066 -20.802 1.00 0.00 H new ATOM 0 HE2 PHE A 24 9.995 -12.015 -23.413 1.00 0.00 H new ATOM 0 HZ PHE A 24 9.197 -9.717 -23.026 1.00 0.00 H new ATOM 346 N CYS A 25 7.393 -15.140 -16.798 1.00 0.00 N ATOM 347 CA CYS A 25 7.477 -16.200 -15.801 1.00 0.00 C ATOM 348 C CYS A 25 8.930 -16.516 -15.464 1.00 0.00 C ATOM 349 O CYS A 25 9.396 -17.638 -15.667 1.00 0.00 O ATOM 350 CB CYS A 25 6.772 -17.461 -16.306 1.00 0.00 C ATOM 351 SG CYS A 25 4.979 -17.446 -16.076 1.00 0.00 S ATOM 0 H CYS A 25 6.866 -14.320 -16.498 1.00 0.00 H new ATOM 0 HA CYS A 25 6.980 -15.853 -14.895 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.991 -17.587 -17.366 1.00 0.00 H new ATOM 0 HB3 CYS A 25 7.187 -18.327 -15.790 1.00 0.00 H new ATOM 0 HG CYS A 25 4.555 -16.217 -16.048 1.00 0.00 H new ATOM 357 N LEU A 26 9.643 -15.520 -14.950 1.00 0.00 N ATOM 358 CA LEU A 26 11.045 -15.690 -14.587 1.00 0.00 C ATOM 359 C LEU A 26 11.226 -15.633 -13.073 1.00 0.00 C ATOM 360 O LEU A 26 10.252 -15.590 -12.322 1.00 0.00 O ATOM 361 CB LEU A 26 11.901 -14.612 -15.255 1.00 0.00 C ATOM 362 CG LEU A 26 11.625 -14.360 -16.738 1.00 0.00 C ATOM 363 CD1 LEU A 26 12.193 -13.016 -17.166 1.00 0.00 C ATOM 364 CD2 LEU A 26 12.206 -15.482 -17.587 1.00 0.00 C ATOM 0 H LEU A 26 9.273 -14.586 -14.775 1.00 0.00 H new ATOM 0 HA LEU A 26 11.369 -16.670 -14.937 1.00 0.00 H new ATOM 0 HB2 LEU A 26 11.758 -13.676 -14.715 1.00 0.00 H new ATOM 0 HB3 LEU A 26 12.950 -14.887 -15.143 1.00 0.00 H new ATOM 0 HG LEU A 26 10.546 -14.339 -16.889 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.987 -12.854 -18.224 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.729 -12.222 -16.580 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.270 -13.007 -17.001 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.000 -15.286 -18.639 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.284 -15.535 -17.432 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.751 -16.430 -17.299 1.00 0.00 H new ATOM 376 N LYS A 27 12.479 -15.630 -12.632 1.00 0.00 N ATOM 377 CA LYS A 27 12.790 -15.574 -11.208 1.00 0.00 C ATOM 378 C LYS A 27 13.050 -14.138 -10.764 1.00 0.00 C ATOM 379 O LYS A 27 13.142 -13.230 -11.590 1.00 0.00 O ATOM 380 CB LYS A 27 14.009 -16.444 -10.897 1.00 0.00 C ATOM 381 CG LYS A 27 13.900 -17.860 -11.436 1.00 0.00 C ATOM 382 CD LYS A 27 15.052 -18.729 -10.959 1.00 0.00 C ATOM 383 CE LYS A 27 16.355 -18.356 -11.651 1.00 0.00 C ATOM 384 NZ LYS A 27 17.318 -19.492 -11.668 1.00 0.00 N ATOM 0 H LYS A 27 13.297 -15.666 -13.241 1.00 0.00 H new ATOM 0 HA LYS A 27 11.930 -15.955 -10.658 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.898 -15.972 -11.316 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.149 -16.485 -9.817 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.955 -18.300 -11.117 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.889 -17.836 -12.526 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.168 -18.622 -9.880 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.823 -19.777 -11.152 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.146 -18.041 -12.674 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.806 -17.505 -11.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.193 -19.198 -12.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.537 -19.776 -10.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.898 -20.296 -12.176 1.00 0.00 H new ATOM 398 N SER A 28 13.168 -13.941 -9.455 1.00 0.00 N ATOM 399 CA SER A 28 13.415 -12.615 -8.901 1.00 0.00 C ATOM 400 C SER A 28 14.858 -12.184 -9.146 1.00 0.00 C ATOM 401 O SER A 28 15.113 -11.116 -9.702 1.00 0.00 O ATOM 402 CB SER A 28 13.115 -12.601 -7.401 1.00 0.00 C ATOM 403 OG SER A 28 11.798 -13.056 -7.141 1.00 0.00 O ATOM 0 H SER A 28 13.097 -14.683 -8.758 1.00 0.00 H new ATOM 0 HA SER A 28 12.753 -11.910 -9.403 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.832 -13.234 -6.877 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.238 -11.590 -7.012 1.00 0.00 H new ATOM 0 HG SER A 28 11.631 -13.039 -6.176 1.00 0.00 H new ATOM 409 N SER A 29 15.799 -13.024 -8.726 1.00 0.00 N ATOM 410 CA SER A 29 17.217 -12.730 -8.896 1.00 0.00 C ATOM 411 C SER A 29 17.557 -12.526 -10.369 1.00 0.00 C ATOM 412 O SER A 29 18.492 -11.800 -10.707 1.00 0.00 O ATOM 413 CB SER A 29 18.067 -13.862 -8.316 1.00 0.00 C ATOM 414 OG SER A 29 18.421 -13.596 -6.970 1.00 0.00 O ATOM 0 H SER A 29 15.605 -13.913 -8.266 1.00 0.00 H new ATOM 0 HA SER A 29 17.439 -11.807 -8.359 1.00 0.00 H new ATOM 0 HB2 SER A 29 17.515 -14.800 -8.371 1.00 0.00 H new ATOM 0 HB3 SER A 29 18.969 -13.987 -8.915 1.00 0.00 H new ATOM 0 HG SER A 29 18.962 -14.335 -6.622 1.00 0.00 H new ATOM 420 N ASP A 30 16.792 -13.173 -11.241 1.00 0.00 N ATOM 421 CA ASP A 30 17.010 -13.063 -12.679 1.00 0.00 C ATOM 422 C ASP A 30 16.899 -11.612 -13.136 1.00 0.00 C ATOM 423 O ASP A 30 17.843 -11.053 -13.697 1.00 0.00 O ATOM 424 CB ASP A 30 16.002 -13.929 -13.437 1.00 0.00 C ATOM 425 CG ASP A 30 16.629 -15.189 -13.999 1.00 0.00 C ATOM 426 OD1 ASP A 30 17.502 -15.771 -13.322 1.00 0.00 O ATOM 427 OD2 ASP A 30 16.245 -15.595 -15.116 1.00 0.00 O ATOM 0 H ASP A 30 16.015 -13.779 -10.977 1.00 0.00 H new ATOM 0 HA ASP A 30 18.017 -13.417 -12.897 1.00 0.00 H new ATOM 0 HB2 ASP A 30 15.185 -14.200 -12.768 1.00 0.00 H new ATOM 0 HB3 ASP A 30 15.568 -13.348 -14.251 1.00 0.00 H new ATOM 432 N LEU A 31 15.741 -11.009 -12.895 1.00 0.00 N ATOM 433 CA LEU A 31 15.505 -9.622 -13.283 1.00 0.00 C ATOM 434 C LEU A 31 16.574 -8.704 -12.700 1.00 0.00 C ATOM 435 O LEU A 31 17.069 -7.804 -13.377 1.00 0.00 O ATOM 436 CB LEU A 31 14.120 -9.170 -12.818 1.00 0.00 C ATOM 437 CG LEU A 31 12.958 -9.488 -13.761 1.00 0.00 C ATOM 438 CD1 LEU A 31 13.054 -8.651 -15.027 1.00 0.00 C ATOM 439 CD2 LEU A 31 12.937 -10.971 -14.100 1.00 0.00 C ATOM 0 H LEU A 31 14.950 -11.458 -12.433 1.00 0.00 H new ATOM 0 HA LEU A 31 15.554 -9.562 -14.370 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.915 -9.632 -11.852 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.147 -8.092 -12.657 1.00 0.00 H new ATOM 0 HG LEU A 31 12.025 -9.238 -13.255 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.219 -8.891 -15.686 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.019 -7.593 -14.767 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.993 -8.869 -15.537 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.104 -11.179 -14.772 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.873 -11.246 -14.586 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.819 -11.552 -13.185 1.00 0.00 H new ATOM 451 N GLU A 32 16.927 -8.941 -11.440 1.00 0.00 N ATOM 452 CA GLU A 32 17.939 -8.135 -10.767 1.00 0.00 C ATOM 453 C GLU A 32 19.246 -8.133 -11.555 1.00 0.00 C ATOM 454 O GLU A 32 19.981 -7.146 -11.553 1.00 0.00 O ATOM 455 CB GLU A 32 18.185 -8.664 -9.352 1.00 0.00 C ATOM 456 CG GLU A 32 16.956 -8.613 -8.461 1.00 0.00 C ATOM 457 CD GLU A 32 16.480 -7.196 -8.204 1.00 0.00 C ATOM 458 OE1 GLU A 32 15.952 -6.569 -9.146 1.00 0.00 O ATOM 459 OE2 GLU A 32 16.635 -6.715 -7.063 1.00 0.00 O ATOM 0 H GLU A 32 16.528 -9.683 -10.866 1.00 0.00 H new ATOM 0 HA GLU A 32 17.570 -7.111 -10.706 1.00 0.00 H new ATOM 0 HB2 GLU A 32 18.536 -9.694 -9.414 1.00 0.00 H new ATOM 0 HB3 GLU A 32 18.983 -8.083 -8.890 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.152 -9.184 -8.925 1.00 0.00 H new ATOM 0 HG3 GLU A 32 17.181 -9.095 -7.510 1.00 0.00 H new ATOM 466 N GLN A 33 19.526 -9.245 -12.227 1.00 0.00 N ATOM 467 CA GLN A 33 20.744 -9.371 -13.019 1.00 0.00 C ATOM 468 C GLN A 33 20.735 -8.396 -14.192 1.00 0.00 C ATOM 469 O GLN A 33 21.789 -7.979 -14.674 1.00 0.00 O ATOM 470 CB GLN A 33 20.897 -10.804 -13.532 1.00 0.00 C ATOM 471 CG GLN A 33 22.344 -11.234 -13.713 1.00 0.00 C ATOM 472 CD GLN A 33 22.729 -12.385 -12.804 1.00 0.00 C ATOM 473 OE1 GLN A 33 23.334 -12.183 -11.751 1.00 0.00 O ATOM 474 NE2 GLN A 33 22.378 -13.601 -13.206 1.00 0.00 N ATOM 0 H GLN A 33 18.927 -10.071 -12.239 1.00 0.00 H new ATOM 0 HA GLN A 33 21.591 -9.130 -12.377 1.00 0.00 H new ATOM 0 HB2 GLN A 33 20.409 -11.485 -12.835 1.00 0.00 H new ATOM 0 HB3 GLN A 33 20.377 -10.897 -14.485 1.00 0.00 H new ATOM 0 HG2 GLN A 33 22.505 -11.526 -14.751 1.00 0.00 H new ATOM 0 HG3 GLN A 33 22.999 -10.385 -13.515 1.00 0.00 H new ATOM 0 HE21 GLN A 33 21.877 -13.722 -14.086 1.00 0.00 H new ATOM 0 HE22 GLN A 33 22.609 -14.414 -12.634 1.00 0.00 H new ATOM 483 N LEU A 34 19.540 -8.037 -14.646 1.00 0.00 N ATOM 484 CA LEU A 34 19.393 -7.111 -15.764 1.00 0.00 C ATOM 485 C LEU A 34 19.705 -5.682 -15.331 1.00 0.00 C ATOM 486 O LEU A 34 19.901 -5.410 -14.146 1.00 0.00 O ATOM 487 CB LEU A 34 17.974 -7.186 -16.331 1.00 0.00 C ATOM 488 CG LEU A 34 17.515 -8.563 -16.810 1.00 0.00 C ATOM 489 CD1 LEU A 34 15.999 -8.612 -16.919 1.00 0.00 C ATOM 490 CD2 LEU A 34 18.159 -8.906 -18.145 1.00 0.00 C ATOM 0 H LEU A 34 18.659 -8.373 -14.258 1.00 0.00 H new ATOM 0 HA LEU A 34 20.103 -7.400 -16.539 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.280 -6.840 -15.566 1.00 0.00 H new ATOM 0 HB3 LEU A 34 17.901 -6.490 -17.166 1.00 0.00 H new ATOM 0 HG LEU A 34 17.830 -9.305 -16.077 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.691 -9.600 -17.261 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.557 -8.412 -15.943 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.661 -7.859 -17.631 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.820 -9.890 -18.470 1.00 0.00 H new ATOM 0 HD22 LEU A 34 17.875 -8.161 -18.888 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.243 -8.914 -18.035 1.00 0.00 H new ATOM 502 N ARG A 35 19.748 -4.772 -16.299 1.00 0.00 N ATOM 503 CA ARG A 35 20.035 -3.370 -16.017 1.00 0.00 C ATOM 504 C ARG A 35 18.861 -2.708 -15.301 1.00 0.00 C ATOM 505 O ARG A 35 17.754 -2.638 -15.835 1.00 0.00 O ATOM 506 CB ARG A 35 20.343 -2.621 -17.315 1.00 0.00 C ATOM 507 CG ARG A 35 20.907 -1.227 -17.093 1.00 0.00 C ATOM 508 CD ARG A 35 20.905 -0.414 -18.379 1.00 0.00 C ATOM 509 NE ARG A 35 21.914 0.641 -18.361 1.00 0.00 N ATOM 510 CZ ARG A 35 22.214 1.390 -19.417 1.00 0.00 C ATOM 511 NH1 ARG A 35 21.585 1.200 -20.568 1.00 0.00 N ATOM 512 NH2 ARG A 35 23.144 2.331 -19.321 1.00 0.00 N ATOM 0 H ARG A 35 19.588 -4.980 -17.285 1.00 0.00 H new ATOM 0 HA ARG A 35 20.907 -3.327 -15.364 1.00 0.00 H new ATOM 0 HB2 ARG A 35 21.055 -3.203 -17.901 1.00 0.00 H new ATOM 0 HB3 ARG A 35 19.430 -2.545 -17.906 1.00 0.00 H new ATOM 0 HG2 ARG A 35 20.318 -0.712 -16.334 1.00 0.00 H new ATOM 0 HG3 ARG A 35 21.925 -1.302 -16.710 1.00 0.00 H new ATOM 0 HD2 ARG A 35 21.087 -1.075 -19.226 1.00 0.00 H new ATOM 0 HD3 ARG A 35 19.920 0.029 -18.526 1.00 0.00 H new ATOM 0 HE ARG A 35 22.416 0.813 -17.490 1.00 0.00 H new ATOM 0 HH11 ARG A 35 20.869 0.478 -20.645 1.00 0.00 H new ATOM 0 HH12 ARG A 35 21.817 1.776 -21.377 1.00 0.00 H new ATOM 0 HH21 ARG A 35 23.629 2.480 -18.436 1.00 0.00 H new ATOM 0 HH22 ARG A 35 23.374 2.906 -20.132 1.00 0.00 H new ATOM 526 N LYS A 36 19.111 -2.224 -14.089 1.00 0.00 N ATOM 527 CA LYS A 36 18.077 -1.567 -13.299 1.00 0.00 C ATOM 528 C LYS A 36 17.829 -0.148 -13.800 1.00 0.00 C ATOM 529 O LYS A 36 18.582 0.773 -13.481 1.00 0.00 O ATOM 530 CB LYS A 36 18.478 -1.535 -11.823 1.00 0.00 C ATOM 531 CG LYS A 36 18.130 -2.808 -11.071 1.00 0.00 C ATOM 532 CD LYS A 36 18.285 -2.629 -9.570 1.00 0.00 C ATOM 533 CE LYS A 36 19.501 -3.375 -9.042 1.00 0.00 C ATOM 534 NZ LYS A 36 19.295 -3.857 -7.648 1.00 0.00 N ATOM 0 H LYS A 36 20.022 -2.275 -13.632 1.00 0.00 H new ATOM 0 HA LYS A 36 17.155 -2.138 -13.407 1.00 0.00 H new ATOM 0 HB2 LYS A 36 19.552 -1.362 -11.750 1.00 0.00 H new ATOM 0 HB3 LYS A 36 17.986 -0.691 -11.340 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.104 -3.098 -11.300 1.00 0.00 H new ATOM 0 HG3 LYS A 36 18.774 -3.620 -11.410 1.00 0.00 H new ATOM 0 HD2 LYS A 36 18.378 -1.568 -9.337 1.00 0.00 H new ATOM 0 HD3 LYS A 36 17.389 -2.989 -9.065 1.00 0.00 H new ATOM 0 HE2 LYS A 36 19.716 -4.224 -9.691 1.00 0.00 H new ATOM 0 HE3 LYS A 36 20.371 -2.720 -9.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 20.146 -4.360 -7.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 19.115 -3.045 -7.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.480 -4.503 -7.621 1.00 0.00 H new ATOM 782 N VAL A 51 11.772 -0.499 -13.490 1.00 0.00 N ATOM 783 CA VAL A 51 11.420 -1.091 -14.775 1.00 0.00 C ATOM 784 C VAL A 51 12.661 -1.584 -15.510 1.00 0.00 C ATOM 785 O VAL A 51 13.787 -1.232 -15.156 1.00 0.00 O ATOM 786 CB VAL A 51 10.671 -0.087 -15.670 1.00 0.00 C ATOM 787 CG1 VAL A 51 9.409 0.407 -14.979 1.00 0.00 C ATOM 788 CG2 VAL A 51 11.578 1.078 -16.038 1.00 0.00 C ATOM 0 HA VAL A 51 10.765 -1.937 -14.565 1.00 0.00 H new ATOM 0 HB VAL A 51 10.378 -0.594 -16.589 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.893 1.116 -15.627 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.753 -0.439 -14.771 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.675 0.898 -14.043 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.032 1.778 -16.671 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.903 1.587 -15.130 1.00 0.00 H new ATOM 0 HG23 VAL A 51 12.449 0.705 -16.577 1.00 0.00 H new ATOM 798 N TYR A 52 12.449 -2.401 -16.536 1.00 0.00 N ATOM 799 CA TYR A 52 13.550 -2.944 -17.322 1.00 0.00 C ATOM 800 C TYR A 52 13.317 -2.723 -18.813 1.00 0.00 C ATOM 801 O TYR A 52 12.286 -2.184 -19.220 1.00 0.00 O ATOM 802 CB TYR A 52 13.720 -4.437 -17.037 1.00 0.00 C ATOM 803 CG TYR A 52 13.882 -4.758 -15.568 1.00 0.00 C ATOM 804 CD1 TYR A 52 15.057 -4.451 -14.894 1.00 0.00 C ATOM 805 CD2 TYR A 52 12.858 -5.369 -14.854 1.00 0.00 C ATOM 806 CE1 TYR A 52 15.209 -4.743 -13.553 1.00 0.00 C ATOM 807 CE2 TYR A 52 13.001 -5.664 -13.512 1.00 0.00 C ATOM 808 CZ TYR A 52 14.178 -5.350 -12.866 1.00 0.00 C ATOM 809 OH TYR A 52 14.325 -5.642 -11.529 1.00 0.00 O ATOM 0 H TYR A 52 11.524 -2.702 -16.843 1.00 0.00 H new ATOM 0 HA TYR A 52 14.461 -2.420 -17.034 1.00 0.00 H new ATOM 0 HB2 TYR A 52 12.854 -4.973 -17.424 1.00 0.00 H new ATOM 0 HB3 TYR A 52 14.591 -4.805 -17.579 1.00 0.00 H new ATOM 0 HD1 TYR A 52 15.866 -3.975 -15.428 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.935 -5.617 -15.357 1.00 0.00 H new ATOM 0 HE1 TYR A 52 16.130 -4.498 -13.045 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.195 -6.138 -12.972 1.00 0.00 H new ATOM 0 HH TYR A 52 13.507 -6.067 -11.195 1.00 0.00 H new ATOM 819 N LEU A 53 14.281 -3.143 -19.625 1.00 0.00 N ATOM 820 CA LEU A 53 14.183 -2.993 -21.072 1.00 0.00 C ATOM 821 C LEU A 53 13.417 -4.158 -21.690 1.00 0.00 C ATOM 822 O LEU A 53 13.810 -5.316 -21.549 1.00 0.00 O ATOM 823 CB LEU A 53 15.578 -2.899 -21.691 1.00 0.00 C ATOM 824 CG LEU A 53 16.031 -1.503 -22.119 1.00 0.00 C ATOM 825 CD1 LEU A 53 15.207 -1.013 -23.299 1.00 0.00 C ATOM 826 CD2 LEU A 53 15.929 -0.529 -20.954 1.00 0.00 C ATOM 0 H LEU A 53 15.140 -3.590 -19.305 1.00 0.00 H new ATOM 0 HA LEU A 53 13.638 -2.073 -21.280 1.00 0.00 H new ATOM 0 HB2 LEU A 53 16.299 -3.288 -20.972 1.00 0.00 H new ATOM 0 HB3 LEU A 53 15.611 -3.553 -22.562 1.00 0.00 H new ATOM 0 HG LEU A 53 17.074 -1.560 -22.429 1.00 0.00 H new ATOM 0 HD11 LEU A 53 15.544 -0.018 -23.590 1.00 0.00 H new ATOM 0 HD12 LEU A 53 15.331 -1.697 -24.138 1.00 0.00 H new ATOM 0 HD13 LEU A 53 14.155 -0.972 -23.016 1.00 0.00 H new ATOM 0 HD21 LEU A 53 16.255 0.460 -21.277 1.00 0.00 H new ATOM 0 HD22 LEU A 53 14.895 -0.476 -20.613 1.00 0.00 H new ATOM 0 HD23 LEU A 53 16.563 -0.872 -20.137 1.00 0.00 H new ATOM 838 N ARG A 54 12.323 -3.844 -22.376 1.00 0.00 N ATOM 839 CA ARG A 54 11.503 -4.865 -23.016 1.00 0.00 C ATOM 840 C ARG A 54 12.342 -5.728 -23.954 1.00 0.00 C ATOM 841 O ARG A 54 12.028 -6.895 -24.188 1.00 0.00 O ATOM 842 CB ARG A 54 10.356 -4.215 -23.793 1.00 0.00 C ATOM 843 CG ARG A 54 8.997 -4.831 -23.503 1.00 0.00 C ATOM 844 CD ARG A 54 8.924 -6.271 -23.986 1.00 0.00 C ATOM 845 NE ARG A 54 7.545 -6.723 -24.151 1.00 0.00 N ATOM 846 CZ ARG A 54 6.786 -6.402 -25.193 1.00 0.00 C ATOM 847 NH1 ARG A 54 7.270 -5.630 -26.157 1.00 0.00 N ATOM 848 NH2 ARG A 54 5.541 -6.852 -25.272 1.00 0.00 N ATOM 0 H ARG A 54 11.984 -2.890 -22.503 1.00 0.00 H new ATOM 0 HA ARG A 54 11.089 -5.504 -22.236 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.322 -3.152 -23.553 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.561 -4.294 -24.861 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.801 -4.795 -22.431 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.218 -4.243 -23.989 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.452 -6.362 -24.935 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.435 -6.919 -23.274 1.00 0.00 H new ATOM 0 HE ARG A 54 7.143 -7.318 -23.427 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.227 -5.281 -26.099 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.685 -5.385 -26.956 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.165 -7.445 -24.532 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.959 -6.605 -26.073 1.00 0.00 H new ATOM 862 N SER A 55 13.411 -5.145 -24.488 1.00 0.00 N ATOM 863 CA SER A 55 14.293 -5.859 -25.403 1.00 0.00 C ATOM 864 C SER A 55 15.224 -6.797 -24.640 1.00 0.00 C ATOM 865 O SER A 55 15.550 -7.885 -25.114 1.00 0.00 O ATOM 866 CB SER A 55 15.115 -4.868 -26.229 1.00 0.00 C ATOM 867 OG SER A 55 14.977 -3.549 -25.729 1.00 0.00 O ATOM 0 H SER A 55 13.687 -4.181 -24.303 1.00 0.00 H new ATOM 0 HA SER A 55 13.674 -6.456 -26.073 1.00 0.00 H new ATOM 0 HB2 SER A 55 16.165 -5.159 -26.212 1.00 0.00 H new ATOM 0 HB3 SER A 55 14.792 -4.901 -27.270 1.00 0.00 H new ATOM 0 HG SER A 55 14.088 -3.205 -25.955 1.00 0.00 H new ATOM 873 N ASP A 56 15.647 -6.366 -23.457 1.00 0.00 N ATOM 874 CA ASP A 56 16.539 -7.167 -22.626 1.00 0.00 C ATOM 875 C ASP A 56 15.804 -8.370 -22.042 1.00 0.00 C ATOM 876 O ASP A 56 16.274 -9.504 -22.138 1.00 0.00 O ATOM 877 CB ASP A 56 17.123 -6.314 -21.499 1.00 0.00 C ATOM 878 CG ASP A 56 18.523 -5.823 -21.811 1.00 0.00 C ATOM 879 OD1 ASP A 56 18.666 -4.972 -22.714 1.00 0.00 O ATOM 880 OD2 ASP A 56 19.477 -6.290 -21.153 1.00 0.00 O ATOM 0 H ASP A 56 15.387 -5.467 -23.052 1.00 0.00 H new ATOM 0 HA ASP A 56 17.352 -7.531 -23.254 1.00 0.00 H new ATOM 0 HB2 ASP A 56 16.472 -5.458 -21.320 1.00 0.00 H new ATOM 0 HB3 ASP A 56 17.142 -6.897 -20.578 1.00 0.00 H new ATOM 885 N VAL A 57 14.650 -8.114 -21.435 1.00 0.00 N ATOM 886 CA VAL A 57 13.850 -9.175 -20.836 1.00 0.00 C ATOM 887 C VAL A 57 13.426 -10.202 -21.880 1.00 0.00 C ATOM 888 O VAL A 57 13.254 -11.380 -21.572 1.00 0.00 O ATOM 889 CB VAL A 57 12.593 -8.610 -20.148 1.00 0.00 C ATOM 890 CG1 VAL A 57 11.838 -9.715 -19.424 1.00 0.00 C ATOM 891 CG2 VAL A 57 12.968 -7.492 -19.187 1.00 0.00 C ATOM 0 H VAL A 57 14.248 -7.181 -21.345 1.00 0.00 H new ATOM 0 HA VAL A 57 14.478 -9.660 -20.089 1.00 0.00 H new ATOM 0 HB VAL A 57 11.937 -8.195 -20.913 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.953 -9.297 -18.944 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.536 -10.479 -20.140 1.00 0.00 H new ATOM 0 HG13 VAL A 57 12.484 -10.162 -18.668 1.00 0.00 H new ATOM 0 HG21 VAL A 57 12.068 -7.105 -18.710 1.00 0.00 H new ATOM 0 HG22 VAL A 57 13.645 -7.879 -18.425 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.461 -6.690 -19.736 1.00 0.00 H new ATOM 901 N GLU A 58 13.261 -9.745 -23.118 1.00 0.00 N ATOM 902 CA GLU A 58 12.858 -10.625 -24.208 1.00 0.00 C ATOM 903 C GLU A 58 13.850 -11.772 -24.378 1.00 0.00 C ATOM 904 O GLU A 58 13.466 -12.895 -24.702 1.00 0.00 O ATOM 905 CB GLU A 58 12.745 -9.836 -25.515 1.00 0.00 C ATOM 906 CG GLU A 58 12.506 -10.709 -26.735 1.00 0.00 C ATOM 907 CD GLU A 58 11.784 -9.973 -27.846 1.00 0.00 C ATOM 908 OE1 GLU A 58 12.109 -8.790 -28.082 1.00 0.00 O ATOM 909 OE2 GLU A 58 10.895 -10.579 -28.480 1.00 0.00 O ATOM 0 H GLU A 58 13.400 -8.772 -23.390 1.00 0.00 H new ATOM 0 HA GLU A 58 11.883 -11.045 -23.959 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.929 -9.119 -25.427 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.660 -9.262 -25.663 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.462 -11.075 -27.108 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.922 -11.582 -26.444 1.00 0.00 H new ATOM 916 N ALA A 59 15.127 -11.479 -24.157 1.00 0.00 N ATOM 917 CA ALA A 59 16.174 -12.485 -24.283 1.00 0.00 C ATOM 918 C ALA A 59 16.351 -13.260 -22.982 1.00 0.00 C ATOM 919 O ALA A 59 16.735 -14.430 -22.991 1.00 0.00 O ATOM 920 CB ALA A 59 17.486 -11.832 -24.693 1.00 0.00 C ATOM 0 H ALA A 59 15.461 -10.553 -23.890 1.00 0.00 H new ATOM 0 HA ALA A 59 15.874 -13.191 -25.057 1.00 0.00 H new ATOM 0 HB1 ALA A 59 18.259 -12.595 -24.783 1.00 0.00 H new ATOM 0 HB2 ALA A 59 17.358 -11.329 -25.652 1.00 0.00 H new ATOM 0 HB3 ALA A 59 17.781 -11.104 -23.938 1.00 0.00 H new ATOM 926 N LYS A 60 16.068 -12.602 -21.863 1.00 0.00 N ATOM 927 CA LYS A 60 16.195 -13.228 -20.553 1.00 0.00 C ATOM 928 C LYS A 60 15.347 -14.494 -20.471 1.00 0.00 C ATOM 929 O LYS A 60 15.647 -15.404 -19.699 1.00 0.00 O ATOM 930 CB LYS A 60 15.776 -12.249 -19.454 1.00 0.00 C ATOM 931 CG LYS A 60 15.794 -12.855 -18.061 1.00 0.00 C ATOM 932 CD LYS A 60 17.179 -13.357 -17.689 1.00 0.00 C ATOM 933 CE LYS A 60 18.191 -12.223 -17.646 1.00 0.00 C ATOM 934 NZ LYS A 60 19.373 -12.565 -16.807 1.00 0.00 N ATOM 0 H LYS A 60 15.749 -11.634 -21.838 1.00 0.00 H new ATOM 0 HA LYS A 60 17.240 -13.501 -20.408 1.00 0.00 H new ATOM 0 HB2 LYS A 60 16.442 -11.386 -19.474 1.00 0.00 H new ATOM 0 HB3 LYS A 60 14.772 -11.882 -19.669 1.00 0.00 H new ATOM 0 HG2 LYS A 60 15.469 -12.110 -17.335 1.00 0.00 H new ATOM 0 HG3 LYS A 60 15.082 -13.679 -18.013 1.00 0.00 H new ATOM 0 HD2 LYS A 60 17.140 -13.848 -16.717 1.00 0.00 H new ATOM 0 HD3 LYS A 60 17.502 -14.106 -18.412 1.00 0.00 H new ATOM 0 HE2 LYS A 60 18.520 -11.991 -18.659 1.00 0.00 H new ATOM 0 HE3 LYS A 60 17.714 -11.325 -17.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 20.124 -11.863 -16.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 19.099 -12.562 -15.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 19.722 -13.509 -17.068 1.00 0.00 H new ATOM 948 N SER A 61 14.288 -14.544 -21.272 1.00 0.00 N ATOM 949 CA SER A 61 13.395 -15.697 -21.288 1.00 0.00 C ATOM 950 C SER A 61 13.948 -16.800 -22.187 1.00 0.00 C ATOM 951 O SER A 61 13.657 -17.980 -21.991 1.00 0.00 O ATOM 952 CB SER A 61 12.002 -15.284 -21.767 1.00 0.00 C ATOM 953 OG SER A 61 11.780 -15.695 -23.105 1.00 0.00 O ATOM 0 H SER A 61 14.027 -13.800 -21.919 1.00 0.00 H new ATOM 0 HA SER A 61 13.322 -16.083 -20.271 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.245 -15.724 -21.118 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.895 -14.202 -21.693 1.00 0.00 H new ATOM 0 HG SER A 61 10.882 -15.421 -23.387 1.00 0.00 H new ATOM 959 N LEU A 62 14.748 -16.406 -23.172 1.00 0.00 N ATOM 960 CA LEU A 62 15.342 -17.359 -24.102 1.00 0.00 C ATOM 961 C LEU A 62 16.569 -18.026 -23.487 1.00 0.00 C ATOM 962 O LEU A 62 16.843 -19.198 -23.744 1.00 0.00 O ATOM 963 CB LEU A 62 15.729 -16.658 -25.405 1.00 0.00 C ATOM 964 CG LEU A 62 14.668 -15.739 -26.012 1.00 0.00 C ATOM 965 CD1 LEU A 62 15.138 -15.193 -27.352 1.00 0.00 C ATOM 966 CD2 LEU A 62 13.348 -16.479 -26.170 1.00 0.00 C ATOM 0 H LEU A 62 15.000 -15.433 -23.347 1.00 0.00 H new ATOM 0 HA LEU A 62 14.601 -18.129 -24.317 1.00 0.00 H new ATOM 0 HB2 LEU A 62 16.630 -16.071 -25.225 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.986 -17.419 -26.141 1.00 0.00 H new ATOM 0 HG LEU A 62 14.512 -14.899 -25.335 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.370 -14.541 -27.769 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.058 -14.626 -27.211 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.323 -16.020 -28.037 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.605 -15.809 -26.603 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.489 -17.338 -26.826 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.003 -16.820 -25.194 1.00 0.00 H new ATOM 978 N GLU A 63 17.302 -17.272 -22.674 1.00 0.00 N ATOM 979 CA GLU A 63 18.498 -17.792 -22.022 1.00 0.00 C ATOM 980 C GLU A 63 18.129 -18.740 -20.885 1.00 0.00 C ATOM 981 O GLU A 63 18.910 -19.617 -20.514 1.00 0.00 O ATOM 982 CB GLU A 63 19.354 -16.642 -21.486 1.00 0.00 C ATOM 983 CG GLU A 63 18.782 -15.989 -20.239 1.00 0.00 C ATOM 984 CD GLU A 63 19.490 -16.428 -18.972 1.00 0.00 C ATOM 985 OE1 GLU A 63 19.782 -17.636 -18.844 1.00 0.00 O ATOM 986 OE2 GLU A 63 19.753 -15.565 -18.110 1.00 0.00 O ATOM 0 H GLU A 63 17.089 -16.300 -22.451 1.00 0.00 H new ATOM 0 HA GLU A 63 19.073 -18.348 -22.763 1.00 0.00 H new ATOM 0 HB2 GLU A 63 20.353 -17.017 -21.264 1.00 0.00 H new ATOM 0 HB3 GLU A 63 19.462 -15.887 -22.265 1.00 0.00 H new ATOM 0 HG2 GLU A 63 18.855 -14.906 -20.335 1.00 0.00 H new ATOM 0 HG3 GLU A 63 17.722 -16.231 -20.161 1.00 0.00 H new ATOM 993 N VAL A 64 16.934 -18.557 -20.333 1.00 0.00 N ATOM 994 CA VAL A 64 16.460 -19.395 -19.238 1.00 0.00 C ATOM 995 C VAL A 64 15.712 -20.615 -19.764 1.00 0.00 C ATOM 996 O VAL A 64 16.219 -21.735 -19.715 1.00 0.00 O ATOM 997 CB VAL A 64 15.536 -18.610 -18.289 1.00 0.00 C ATOM 998 CG1 VAL A 64 15.008 -19.515 -17.187 1.00 0.00 C ATOM 999 CG2 VAL A 64 16.269 -17.413 -17.702 1.00 0.00 C ATOM 0 H VAL A 64 16.276 -17.835 -20.626 1.00 0.00 H new ATOM 0 HA VAL A 64 17.341 -19.722 -18.686 1.00 0.00 H new ATOM 0 HB VAL A 64 14.685 -18.241 -18.862 1.00 0.00 H new ATOM 0 HG11 VAL A 64 14.357 -18.942 -16.526 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.444 -20.336 -17.630 1.00 0.00 H new ATOM 0 HG13 VAL A 64 15.844 -19.916 -16.614 1.00 0.00 H new ATOM 0 HG21 VAL A 64 15.601 -16.869 -17.034 1.00 0.00 H new ATOM 0 HG22 VAL A 64 17.140 -17.757 -17.144 1.00 0.00 H new ATOM 0 HG23 VAL A 64 16.592 -16.753 -18.507 1.00 0.00 H new ATOM 1009 N TRP A 65 14.504 -20.389 -20.267 1.00 0.00 N ATOM 1010 CA TRP A 65 13.685 -21.470 -20.803 1.00 0.00 C ATOM 1011 C TRP A 65 14.383 -22.153 -21.974 1.00 0.00 C ATOM 1012 O TRP A 65 14.133 -23.323 -22.262 1.00 0.00 O ATOM 1013 CB TRP A 65 12.323 -20.934 -21.247 1.00 0.00 C ATOM 1014 CG TRP A 65 11.353 -20.768 -20.117 1.00 0.00 C ATOM 1015 CD1 TRP A 65 11.114 -19.628 -19.403 1.00 0.00 C ATOM 1016 CD2 TRP A 65 10.493 -21.774 -19.570 1.00 0.00 C ATOM 1017 NE1 TRP A 65 10.158 -19.865 -18.445 1.00 0.00 N ATOM 1018 CE2 TRP A 65 9.760 -21.174 -18.527 1.00 0.00 C ATOM 1019 CE3 TRP A 65 10.270 -23.122 -19.861 1.00 0.00 C ATOM 1020 CZ2 TRP A 65 8.822 -21.877 -17.776 1.00 0.00 C ATOM 1021 CZ3 TRP A 65 9.339 -23.819 -19.114 1.00 0.00 C ATOM 1022 CH2 TRP A 65 8.624 -23.196 -18.083 1.00 0.00 C ATOM 0 H TRP A 65 14.070 -19.467 -20.315 1.00 0.00 H new ATOM 0 HA TRP A 65 13.538 -22.206 -20.013 1.00 0.00 H new ATOM 0 HB2 TRP A 65 12.462 -19.972 -21.741 1.00 0.00 H new ATOM 0 HB3 TRP A 65 11.897 -21.613 -21.986 1.00 0.00 H new ATOM 0 HD1 TRP A 65 11.604 -18.680 -19.567 1.00 0.00 H new ATOM 0 HE1 TRP A 65 9.802 -19.178 -17.780 1.00 0.00 H new ATOM 0 HE3 TRP A 65 10.815 -23.611 -20.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 8.271 -21.399 -16.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 9.160 -24.862 -19.329 1.00 0.00 H new ATOM 0 HH2 TRP A 65 7.902 -23.768 -17.519 1.00 0.00 H new ATOM 1033 N GLY A 66 15.259 -21.414 -22.648 1.00 0.00 N ATOM 1034 CA GLY A 66 15.980 -21.965 -23.780 1.00 0.00 C ATOM 1035 C GLY A 66 15.487 -21.416 -25.104 1.00 0.00 C ATOM 1036 O GLY A 66 16.270 -21.226 -26.035 1.00 0.00 O ATOM 0 H GLY A 66 15.482 -20.443 -22.430 1.00 0.00 H new ATOM 0 HA2 GLY A 66 17.042 -21.745 -23.672 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.877 -23.050 -23.779 1.00 0.00 H new ATOM 1040 N SER A 67 14.186 -21.160 -25.190 1.00 0.00 N ATOM 1041 CA SER A 67 13.588 -20.634 -26.412 1.00 0.00 C ATOM 1042 C SER A 67 12.273 -19.923 -26.111 1.00 0.00 C ATOM 1043 O SER A 67 11.651 -20.127 -25.068 1.00 0.00 O ATOM 1044 CB SER A 67 13.353 -21.764 -27.416 1.00 0.00 C ATOM 1045 OG SER A 67 13.427 -23.031 -26.786 1.00 0.00 O ATOM 0 H SER A 67 13.525 -21.308 -24.428 1.00 0.00 H new ATOM 0 HA SER A 67 14.280 -19.911 -26.845 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.375 -21.643 -27.882 1.00 0.00 H new ATOM 0 HB3 SER A 67 14.095 -21.707 -28.213 1.00 0.00 H new ATOM 0 HG SER A 67 13.272 -23.736 -27.449 1.00 0.00 H new ATOM 1051 N PRO A 68 11.837 -19.066 -27.047 1.00 0.00 N ATOM 1052 CA PRO A 68 10.591 -18.307 -26.906 1.00 0.00 C ATOM 1053 C PRO A 68 9.356 -19.196 -27.004 1.00 0.00 C ATOM 1054 O PRO A 68 8.280 -18.833 -26.531 1.00 0.00 O ATOM 1055 CB PRO A 68 10.639 -17.326 -28.080 1.00 0.00 C ATOM 1056 CG PRO A 68 11.506 -17.990 -29.093 1.00 0.00 C ATOM 1057 CD PRO A 68 12.526 -18.774 -28.314 1.00 0.00 C ATOM 0 HA PRO A 68 10.516 -17.824 -25.932 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.642 -17.134 -28.477 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.051 -16.364 -27.776 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.921 -18.644 -29.739 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.988 -17.254 -29.737 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.814 -19.687 -28.835 1.00 0.00 H new ATOM 0 HD3 PRO A 68 13.437 -18.198 -28.152 1.00 0.00 H new ATOM 1065 N GLU A 69 9.519 -20.362 -27.622 1.00 0.00 N ATOM 1066 CA GLU A 69 8.416 -21.302 -27.782 1.00 0.00 C ATOM 1067 C GLU A 69 8.031 -21.922 -26.442 1.00 0.00 C ATOM 1068 O GLU A 69 6.852 -22.126 -26.156 1.00 0.00 O ATOM 1069 CB GLU A 69 8.795 -22.402 -28.775 1.00 0.00 C ATOM 1070 CG GLU A 69 8.647 -21.987 -30.229 1.00 0.00 C ATOM 1071 CD GLU A 69 9.139 -23.049 -31.193 1.00 0.00 C ATOM 1072 OE1 GLU A 69 9.988 -23.870 -30.786 1.00 0.00 O ATOM 1073 OE2 GLU A 69 8.677 -23.059 -32.353 1.00 0.00 O ATOM 0 H GLU A 69 10.404 -20.678 -28.020 1.00 0.00 H new ATOM 0 HA GLU A 69 7.557 -20.753 -28.169 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.827 -22.702 -28.595 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.172 -23.277 -28.590 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.599 -21.771 -30.436 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.202 -21.064 -30.398 1.00 0.00 H new ATOM 1080 N ALA A 70 9.035 -22.220 -25.624 1.00 0.00 N ATOM 1081 CA ALA A 70 8.803 -22.815 -24.314 1.00 0.00 C ATOM 1082 C ALA A 70 7.874 -21.946 -23.472 1.00 0.00 C ATOM 1083 O ALA A 70 6.980 -22.451 -22.793 1.00 0.00 O ATOM 1084 CB ALA A 70 10.124 -23.033 -23.591 1.00 0.00 C ATOM 0 H ALA A 70 10.017 -22.059 -25.846 1.00 0.00 H new ATOM 0 HA ALA A 70 8.319 -23.780 -24.462 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.935 -23.478 -22.614 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.754 -23.701 -24.178 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.630 -22.076 -23.462 1.00 0.00 H new ATOM 1090 N LEU A 71 8.092 -20.636 -23.522 1.00 0.00 N ATOM 1091 CA LEU A 71 7.275 -19.696 -22.763 1.00 0.00 C ATOM 1092 C LEU A 71 5.913 -19.503 -23.422 1.00 0.00 C ATOM 1093 O LEU A 71 4.887 -19.445 -22.745 1.00 0.00 O ATOM 1094 CB LEU A 71 7.991 -18.349 -22.643 1.00 0.00 C ATOM 1095 CG LEU A 71 7.174 -17.207 -22.038 1.00 0.00 C ATOM 1096 CD1 LEU A 71 7.011 -17.404 -20.538 1.00 0.00 C ATOM 1097 CD2 LEU A 71 7.832 -15.866 -22.332 1.00 0.00 C ATOM 0 H LEU A 71 8.827 -20.201 -24.080 1.00 0.00 H new ATOM 0 HA LEU A 71 7.121 -20.109 -21.766 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.887 -18.489 -22.038 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.322 -18.046 -23.636 1.00 0.00 H new ATOM 0 HG LEU A 71 6.184 -17.212 -22.495 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.427 -16.582 -20.124 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.496 -18.346 -20.349 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.993 -17.426 -20.065 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.237 -15.065 -21.894 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.834 -15.850 -21.903 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.897 -15.721 -23.410 1.00 0.00 H new ATOM 1109 N ALA A 72 5.911 -19.407 -24.748 1.00 0.00 N ATOM 1110 CA ALA A 72 4.675 -19.225 -25.499 1.00 0.00 C ATOM 1111 C ALA A 72 3.645 -20.285 -25.125 1.00 0.00 C ATOM 1112 O ALA A 72 2.443 -20.017 -25.106 1.00 0.00 O ATOM 1113 CB ALA A 72 4.956 -19.264 -26.994 1.00 0.00 C ATOM 0 H ALA A 72 6.752 -19.452 -25.324 1.00 0.00 H new ATOM 0 HA ALA A 72 4.263 -18.249 -25.243 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.024 -19.127 -27.543 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.651 -18.466 -27.254 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.394 -20.227 -27.257 1.00 0.00 H new ATOM 1119 N ARG A 73 4.122 -21.489 -24.828 1.00 0.00 N ATOM 1120 CA ARG A 73 3.242 -22.590 -24.456 1.00 0.00 C ATOM 1121 C ARG A 73 2.357 -22.203 -23.275 1.00 0.00 C ATOM 1122 O ARG A 73 1.208 -22.635 -23.180 1.00 0.00 O ATOM 1123 CB ARG A 73 4.063 -23.833 -24.106 1.00 0.00 C ATOM 1124 CG ARG A 73 5.067 -24.221 -25.179 1.00 0.00 C ATOM 1125 CD ARG A 73 4.899 -25.672 -25.600 1.00 0.00 C ATOM 1126 NE ARG A 73 5.791 -26.563 -24.862 1.00 0.00 N ATOM 1127 CZ ARG A 73 5.762 -27.887 -24.970 1.00 0.00 C ATOM 1128 NH1 ARG A 73 4.891 -28.470 -25.782 1.00 0.00 N ATOM 1129 NH2 ARG A 73 6.605 -28.630 -24.265 1.00 0.00 N ATOM 0 H ARG A 73 5.114 -21.727 -24.838 1.00 0.00 H new ATOM 0 HA ARG A 73 2.602 -22.815 -25.310 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.594 -23.656 -23.171 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.385 -24.669 -23.935 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.943 -23.573 -26.046 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.079 -24.064 -24.806 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.866 -25.979 -25.439 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.096 -25.765 -26.668 1.00 0.00 H new ATOM 0 HE ARG A 73 6.474 -26.146 -24.229 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.241 -27.902 -26.326 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.871 -29.487 -25.863 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.276 -28.185 -23.639 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.582 -29.646 -24.349 1.00 0.00 H new ATOM 1143 N GLU A 74 2.900 -21.387 -22.377 1.00 0.00 N ATOM 1144 CA GLU A 74 2.159 -20.943 -21.202 1.00 0.00 C ATOM 1145 C GLU A 74 1.383 -19.664 -21.499 1.00 0.00 C ATOM 1146 O GLU A 74 0.254 -19.488 -21.041 1.00 0.00 O ATOM 1147 CB GLU A 74 3.113 -20.713 -20.028 1.00 0.00 C ATOM 1148 CG GLU A 74 3.862 -21.963 -19.598 1.00 0.00 C ATOM 1149 CD GLU A 74 3.213 -22.654 -18.414 1.00 0.00 C ATOM 1150 OE1 GLU A 74 2.163 -23.302 -18.607 1.00 0.00 O ATOM 1151 OE2 GLU A 74 3.756 -22.547 -17.295 1.00 0.00 O ATOM 0 H GLU A 74 3.850 -21.020 -22.441 1.00 0.00 H new ATOM 0 HA GLU A 74 1.448 -21.725 -20.936 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.835 -19.944 -20.303 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.546 -20.330 -19.180 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.913 -22.658 -20.436 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.888 -21.697 -19.341 1.00 0.00 H new ATOM 1158 N LYS A 75 1.996 -18.772 -22.269 1.00 0.00 N ATOM 1159 CA LYS A 75 1.365 -17.508 -22.630 1.00 0.00 C ATOM 1160 C LYS A 75 0.033 -17.747 -23.335 1.00 0.00 C ATOM 1161 O LYS A 75 -0.939 -17.026 -23.110 1.00 0.00 O ATOM 1162 CB LYS A 75 2.292 -16.690 -23.531 1.00 0.00 C ATOM 1163 CG LYS A 75 3.657 -16.426 -22.920 1.00 0.00 C ATOM 1164 CD LYS A 75 3.907 -14.939 -22.734 1.00 0.00 C ATOM 1165 CE LYS A 75 3.276 -14.424 -21.449 1.00 0.00 C ATOM 1166 NZ LYS A 75 1.935 -13.824 -21.691 1.00 0.00 N ATOM 0 H LYS A 75 2.931 -18.901 -22.656 1.00 0.00 H new ATOM 0 HA LYS A 75 1.176 -16.950 -21.713 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.422 -17.216 -24.477 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.815 -15.737 -23.759 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.729 -16.931 -21.957 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.431 -16.849 -23.560 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.980 -14.749 -22.715 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.501 -14.392 -23.585 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.184 -15.243 -20.736 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.931 -13.679 -20.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.947 -12.822 -21.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.699 -13.898 -22.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.221 -14.331 -21.130 1.00 0.00 H new