USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 674 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 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= -0.0303 USER MOD Single : A 21 MET CE :methyl -159:sc= -0.197 (180deg=-1.51) USER MOD Single : A 22 THR OG1 : rot 80:sc= 0.967 USER MOD Single : A 30 ASN : amide:sc= -0.697 X(o=-0.7,f=-1.1) USER MOD Single : A 31 THR OG1 : rot 149:sc= -1.26! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -149:sc=0.000865 (180deg=-0.0218) USER MOD Single : A 58 GLN : amide:sc= 0.0259 X(o=0.026,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.023 K(o=-0.023,f=-0.72) USER MOD Single : A 69 SER OG : rot -49:sc= 1.19 USER MOD Single : A 72 SER OG : rot -1:sc= -0.621 USER MOD Single : A 77 HIS : no HE2:sc= 0.645 K(o=0.64,f=-2!) USER MOD Single : A 79 LYS NZ :NH3+ -111:sc= -0.859 (180deg=-3.07!) USER MOD Single : A 83 LYS NZ :NH3+ 172:sc= -0.0104 (180deg=-0.128) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.00608 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0735) USER MOD Single : A 90 TYR OH : rot -130:sc= 0.996 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 174 N ARG A 11 5.981 12.421 -8.024 1.00 0.00 N ATOM 175 CA ARG A 11 4.711 11.997 -7.437 1.00 0.00 C ATOM 176 C ARG A 11 4.106 10.835 -8.224 1.00 0.00 C ATOM 177 O ARG A 11 2.990 10.392 -7.955 1.00 0.00 O ATOM 178 CB ARG A 11 3.740 13.179 -7.389 1.00 0.00 C ATOM 179 CG ARG A 11 3.277 13.653 -8.758 1.00 0.00 C ATOM 180 CD ARG A 11 2.565 14.994 -8.674 1.00 0.00 C ATOM 181 NE ARG A 11 1.611 15.046 -7.568 1.00 0.00 N ATOM 182 CZ ARG A 11 0.336 15.401 -7.694 1.00 0.00 C ATOM 183 NH1 ARG A 11 -0.164 15.689 -8.890 1.00 0.00 N ATOM 184 NH2 ARG A 11 -0.442 15.457 -6.618 1.00 0.00 N ATOM 0 HA ARG A 11 4.897 11.650 -6.420 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.868 12.896 -6.799 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.220 14.010 -6.871 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.136 13.737 -9.424 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.607 12.911 -9.193 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.302 15.788 -8.553 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.042 15.185 -9.611 1.00 0.00 H new ATOM 0 HE ARG A 11 1.945 14.793 -6.638 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.431 15.638 -9.717 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.143 15.961 -8.982 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.060 15.228 -5.700 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.421 15.729 -6.710 1.00 0.00 H new ATOM 198 N SER A 12 4.852 10.358 -9.206 1.00 0.00 N ATOM 199 CA SER A 12 4.433 9.215 -9.998 1.00 0.00 C ATOM 200 C SER A 12 5.377 8.042 -9.744 1.00 0.00 C ATOM 201 O SER A 12 6.574 8.137 -10.014 1.00 0.00 O ATOM 202 CB SER A 12 4.447 9.578 -11.485 1.00 0.00 C ATOM 203 OG SER A 12 4.062 10.929 -11.688 1.00 0.00 O ATOM 0 H SER A 12 5.756 10.747 -9.475 1.00 0.00 H new ATOM 0 HA SER A 12 3.420 8.932 -9.711 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.445 9.417 -11.892 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.771 8.919 -12.029 1.00 0.00 H new ATOM 0 HG SER A 12 4.081 11.134 -12.646 1.00 0.00 H new ATOM 209 N VAL A 13 4.850 6.944 -9.220 1.00 0.00 N ATOM 210 CA VAL A 13 5.684 5.800 -8.874 1.00 0.00 C ATOM 211 C VAL A 13 5.480 4.646 -9.848 1.00 0.00 C ATOM 212 O VAL A 13 4.389 4.453 -10.388 1.00 0.00 O ATOM 213 CB VAL A 13 5.418 5.306 -7.435 1.00 0.00 C ATOM 214 CG1 VAL A 13 5.854 6.354 -6.426 1.00 0.00 C ATOM 215 CG2 VAL A 13 3.953 4.948 -7.239 1.00 0.00 C ATOM 0 H VAL A 13 3.856 6.821 -9.026 1.00 0.00 H new ATOM 0 HA VAL A 13 6.716 6.143 -8.939 1.00 0.00 H new ATOM 0 HB VAL A 13 6.006 4.402 -7.274 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.660 5.991 -5.417 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.920 6.550 -6.542 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.296 7.275 -6.594 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.796 4.604 -6.217 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.336 5.827 -7.424 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.676 4.156 -7.935 1.00 0.00 H new ATOM 225 N THR A 14 6.544 3.897 -10.086 1.00 0.00 N ATOM 226 CA THR A 14 6.480 2.736 -10.956 1.00 0.00 C ATOM 227 C THR A 14 6.408 1.459 -10.122 1.00 0.00 C ATOM 228 O THR A 14 7.360 1.107 -9.422 1.00 0.00 O ATOM 229 CB THR A 14 7.707 2.676 -11.888 1.00 0.00 C ATOM 230 OG1 THR A 14 7.906 3.957 -12.509 1.00 0.00 O ATOM 231 CG2 THR A 14 7.524 1.612 -12.961 1.00 0.00 C ATOM 0 H THR A 14 7.466 4.074 -9.687 1.00 0.00 H new ATOM 0 HA THR A 14 5.582 2.822 -11.568 1.00 0.00 H new ATOM 0 HB THR A 14 8.580 2.416 -11.290 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.687 3.917 -13.099 1.00 0.00 H new ATOM 0 HG21 THR A 14 8.403 1.590 -13.605 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.395 0.638 -12.489 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.642 1.845 -13.558 1.00 0.00 H new ATOM 239 N LEU A 15 5.276 0.774 -10.188 1.00 0.00 N ATOM 240 CA LEU A 15 5.077 -0.446 -9.426 1.00 0.00 C ATOM 241 C LEU A 15 5.741 -1.625 -10.130 1.00 0.00 C ATOM 242 O LEU A 15 5.943 -1.591 -11.342 1.00 0.00 O ATOM 243 CB LEU A 15 3.583 -0.711 -9.224 1.00 0.00 C ATOM 244 CG LEU A 15 2.853 0.339 -8.383 1.00 0.00 C ATOM 245 CD1 LEU A 15 1.398 -0.045 -8.194 1.00 0.00 C ATOM 246 CD2 LEU A 15 3.533 0.508 -7.032 1.00 0.00 C ATOM 0 H LEU A 15 4.479 1.045 -10.764 1.00 0.00 H new ATOM 0 HA LEU A 15 5.540 -0.325 -8.447 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.104 -0.771 -10.201 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.462 -1.685 -8.749 1.00 0.00 H new ATOM 0 HG LEU A 15 2.894 1.290 -8.914 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.896 0.714 -7.594 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.912 -0.118 -9.167 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.339 -1.007 -7.686 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.000 1.258 -6.448 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.523 -0.442 -6.498 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.564 0.829 -7.181 1.00 0.00 H new ATOM 258 N PRO A 16 6.088 -2.682 -9.373 1.00 0.00 N ATOM 259 CA PRO A 16 6.796 -3.862 -9.903 1.00 0.00 C ATOM 260 C PRO A 16 6.047 -4.603 -11.019 1.00 0.00 C ATOM 261 O PRO A 16 6.581 -5.546 -11.610 1.00 0.00 O ATOM 262 CB PRO A 16 6.962 -4.776 -8.682 1.00 0.00 C ATOM 263 CG PRO A 16 6.008 -4.259 -7.660 1.00 0.00 C ATOM 264 CD PRO A 16 5.852 -2.793 -7.925 1.00 0.00 C ATOM 0 HA PRO A 16 7.733 -3.559 -10.370 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.741 -5.813 -8.936 1.00 0.00 H new ATOM 0 HB3 PRO A 16 7.986 -4.751 -8.310 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.048 -4.770 -7.732 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.387 -4.433 -6.653 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.858 -2.439 -7.651 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.569 -2.203 -7.354 1.00 0.00 H new ATOM 272 N ASP A 17 4.814 -4.194 -11.302 1.00 0.00 N ATOM 273 CA ASP A 17 4.054 -4.769 -12.414 1.00 0.00 C ATOM 274 C ASP A 17 4.448 -4.094 -13.720 1.00 0.00 C ATOM 275 O ASP A 17 4.104 -4.562 -14.807 1.00 0.00 O ATOM 276 CB ASP A 17 2.540 -4.607 -12.212 1.00 0.00 C ATOM 277 CG ASP A 17 1.992 -5.412 -11.050 1.00 0.00 C ATOM 278 OD1 ASP A 17 2.541 -6.486 -10.742 1.00 0.00 O ATOM 279 OD2 ASP A 17 0.995 -4.971 -10.436 1.00 0.00 O ATOM 0 H ASP A 17 4.319 -3.470 -10.781 1.00 0.00 H new ATOM 0 HA ASP A 17 4.289 -5.833 -12.451 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.314 -3.553 -12.051 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.026 -4.907 -13.125 1.00 0.00 H new ATOM 284 N GLY A 18 5.165 -2.987 -13.604 1.00 0.00 N ATOM 285 CA GLY A 18 5.498 -2.187 -14.766 1.00 0.00 C ATOM 286 C GLY A 18 4.466 -1.105 -14.996 1.00 0.00 C ATOM 287 O GLY A 18 4.455 -0.445 -16.034 1.00 0.00 O ATOM 0 H GLY A 18 5.525 -2.626 -12.721 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.480 -1.734 -14.630 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.561 -2.827 -15.646 1.00 0.00 H new ATOM 291 N SER A 19 3.592 -0.938 -14.018 1.00 0.00 N ATOM 292 CA SER A 19 2.529 0.045 -14.086 1.00 0.00 C ATOM 293 C SER A 19 2.914 1.303 -13.315 1.00 0.00 C ATOM 294 O SER A 19 3.631 1.236 -12.316 1.00 0.00 O ATOM 295 CB SER A 19 1.244 -0.561 -13.516 1.00 0.00 C ATOM 296 OG SER A 19 1.492 -1.200 -12.272 1.00 0.00 O ATOM 0 H SER A 19 3.601 -1.481 -13.155 1.00 0.00 H new ATOM 0 HA SER A 19 2.364 0.325 -15.126 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.496 0.221 -13.385 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.832 -1.281 -14.223 1.00 0.00 H new ATOM 0 HG SER A 19 0.657 -1.578 -11.926 1.00 0.00 H new ATOM 302 N ILE A 20 2.452 2.449 -13.786 1.00 0.00 N ATOM 303 CA ILE A 20 2.710 3.704 -13.100 1.00 0.00 C ATOM 304 C ILE A 20 1.482 4.138 -12.316 1.00 0.00 C ATOM 305 O ILE A 20 0.370 4.160 -12.843 1.00 0.00 O ATOM 306 CB ILE A 20 3.134 4.825 -14.076 1.00 0.00 C ATOM 307 CG1 ILE A 20 2.139 4.939 -15.237 1.00 0.00 C ATOM 308 CG2 ILE A 20 4.542 4.565 -14.593 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.449 6.065 -16.199 1.00 0.00 C ATOM 0 H ILE A 20 1.898 2.537 -14.638 1.00 0.00 H new ATOM 0 HA ILE A 20 3.540 3.532 -12.414 1.00 0.00 H new ATOM 0 HB ILE A 20 3.132 5.773 -13.539 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.127 3.998 -15.786 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.138 5.085 -14.832 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.830 5.361 -15.280 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.238 4.539 -13.755 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.567 3.609 -15.115 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.702 6.082 -16.992 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.432 7.015 -15.665 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.437 5.911 -16.634 1.00 0.00 H new ATOM 321 N MET A 21 1.682 4.456 -11.050 1.00 0.00 N ATOM 322 CA MET A 21 0.587 4.861 -10.188 1.00 0.00 C ATOM 323 C MET A 21 0.887 6.190 -9.522 1.00 0.00 C ATOM 324 O MET A 21 2.034 6.632 -9.467 1.00 0.00 O ATOM 325 CB MET A 21 0.297 3.794 -9.132 1.00 0.00 C ATOM 326 CG MET A 21 -0.628 2.690 -9.624 1.00 0.00 C ATOM 327 SD MET A 21 -2.293 3.289 -9.965 1.00 0.00 S ATOM 328 CE MET A 21 -2.831 3.759 -8.321 1.00 0.00 C ATOM 0 H MET A 21 2.595 4.441 -10.595 1.00 0.00 H new ATOM 0 HA MET A 21 -0.300 4.978 -10.811 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.238 3.351 -8.807 1.00 0.00 H new ATOM 0 HB3 MET A 21 -0.150 4.270 -8.259 1.00 0.00 H new ATOM 0 HG2 MET A 21 -0.212 2.248 -10.529 1.00 0.00 H new ATOM 0 HG3 MET A 21 -0.676 1.899 -8.875 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.920 3.791 -8.290 1.00 0.00 H new ATOM 0 HE2 MET A 21 -2.469 3.029 -7.597 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.432 4.743 -8.075 1.00 0.00 H new ATOM 338 N THR A 22 -0.161 6.818 -9.025 1.00 0.00 N ATOM 339 CA THR A 22 -0.059 8.113 -8.394 1.00 0.00 C ATOM 340 C THR A 22 -1.329 8.375 -7.589 1.00 0.00 C ATOM 341 O THR A 22 -2.252 7.554 -7.601 1.00 0.00 O ATOM 342 CB THR A 22 0.167 9.225 -9.448 1.00 0.00 C ATOM 343 OG1 THR A 22 0.302 10.502 -8.819 1.00 0.00 O ATOM 344 CG2 THR A 22 -0.969 9.265 -10.464 1.00 0.00 C ATOM 0 H THR A 22 -1.108 6.441 -9.049 1.00 0.00 H new ATOM 0 HA THR A 22 0.801 8.121 -7.724 1.00 0.00 H new ATOM 0 HB THR A 22 1.092 8.991 -9.975 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.211 10.598 -8.464 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.780 10.056 -11.190 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.030 8.307 -10.979 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.910 9.461 -9.950 1.00 0.00 H new ATOM 352 N ARG A 23 -1.384 9.514 -6.917 1.00 0.00 N ATOM 353 CA ARG A 23 -2.498 9.836 -6.022 1.00 0.00 C ATOM 354 C ARG A 23 -3.797 10.036 -6.807 1.00 0.00 C ATOM 355 O ARG A 23 -4.891 9.957 -6.247 1.00 0.00 O ATOM 356 CB ARG A 23 -2.162 11.081 -5.188 1.00 0.00 C ATOM 357 CG ARG A 23 -3.261 11.525 -4.232 1.00 0.00 C ATOM 358 CD ARG A 23 -3.655 10.423 -3.264 1.00 0.00 C ATOM 359 NE ARG A 23 -4.631 10.888 -2.276 1.00 0.00 N ATOM 360 CZ ARG A 23 -5.796 10.289 -2.042 1.00 0.00 C ATOM 361 NH1 ARG A 23 -6.191 9.280 -2.808 1.00 0.00 N ATOM 362 NH2 ARG A 23 -6.582 10.721 -1.060 1.00 0.00 N ATOM 0 H ARG A 23 -0.668 10.239 -6.971 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.650 8.995 -5.345 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.258 10.882 -4.613 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.935 11.904 -5.865 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.923 12.396 -3.671 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.136 11.834 -4.804 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.073 9.584 -3.820 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.766 10.055 -2.751 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.404 11.722 -1.734 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.601 8.963 -3.577 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.084 8.822 -2.627 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.292 11.512 -0.485 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -7.475 10.261 -0.882 1.00 0.00 H new ATOM 376 N ALA A 24 -3.668 10.281 -8.105 1.00 0.00 N ATOM 377 CA ALA A 24 -4.828 10.454 -8.971 1.00 0.00 C ATOM 378 C ALA A 24 -5.719 9.211 -8.969 1.00 0.00 C ATOM 379 O ALA A 24 -6.923 9.304 -8.725 1.00 0.00 O ATOM 380 CB ALA A 24 -4.382 10.787 -10.386 1.00 0.00 C ATOM 0 H ALA A 24 -2.770 10.365 -8.582 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.418 11.284 -8.581 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.257 10.914 -11.023 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.803 11.710 -10.377 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.766 9.976 -10.774 1.00 0.00 H new ATOM 386 N ASP A 25 -5.129 8.046 -9.229 1.00 0.00 N ATOM 387 CA ASP A 25 -5.899 6.805 -9.272 1.00 0.00 C ATOM 388 C ASP A 25 -5.930 6.149 -7.897 1.00 0.00 C ATOM 389 O ASP A 25 -6.719 5.237 -7.645 1.00 0.00 O ATOM 390 CB ASP A 25 -5.319 5.834 -10.305 1.00 0.00 C ATOM 391 CG ASP A 25 -6.265 4.682 -10.611 1.00 0.00 C ATOM 392 OD1 ASP A 25 -7.496 4.903 -10.635 1.00 0.00 O ATOM 393 OD2 ASP A 25 -5.782 3.555 -10.843 1.00 0.00 O ATOM 0 H ASP A 25 -4.132 7.935 -9.411 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.918 7.053 -9.568 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.099 6.375 -11.225 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.374 5.436 -9.936 1.00 0.00 H new ATOM 398 N LEU A 26 -5.049 6.615 -7.016 1.00 0.00 N ATOM 399 CA LEU A 26 -5.059 6.188 -5.626 1.00 0.00 C ATOM 400 C LEU A 26 -6.412 6.552 -5.027 1.00 0.00 C ATOM 401 O LEU A 26 -6.790 7.722 -5.038 1.00 0.00 O ATOM 402 CB LEU A 26 -3.913 6.878 -4.860 1.00 0.00 C ATOM 403 CG LEU A 26 -3.406 6.178 -3.586 1.00 0.00 C ATOM 404 CD1 LEU A 26 -4.455 6.184 -2.485 1.00 0.00 C ATOM 405 CD2 LEU A 26 -2.969 4.756 -3.898 1.00 0.00 C ATOM 0 H LEU A 26 -4.319 7.290 -7.244 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.908 5.111 -5.554 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.070 6.993 -5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.242 7.881 -4.588 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.545 6.739 -3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.059 5.681 -1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.711 7.213 -2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.348 5.663 -2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.614 4.276 -2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.814 4.195 -4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.166 4.776 -4.634 1.00 0.00 H new ATOM 417 N PRO A 27 -7.147 5.546 -4.515 1.00 0.00 N ATOM 418 CA PRO A 27 -8.522 5.696 -4.015 1.00 0.00 C ATOM 419 C PRO A 27 -8.822 7.053 -3.363 1.00 0.00 C ATOM 420 O PRO A 27 -8.313 7.380 -2.287 1.00 0.00 O ATOM 421 CB PRO A 27 -8.599 4.559 -3.008 1.00 0.00 C ATOM 422 CG PRO A 27 -7.832 3.468 -3.667 1.00 0.00 C ATOM 423 CD PRO A 27 -6.687 4.146 -4.374 1.00 0.00 C ATOM 0 HA PRO A 27 -9.261 5.659 -4.816 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.159 4.839 -2.051 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.630 4.264 -2.811 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.469 2.747 -2.935 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.458 2.919 -4.371 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.765 4.083 -3.796 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.487 3.690 -5.344 1.00 0.00 H new ATOM 431 N PRO A 28 -9.638 7.874 -4.048 1.00 0.00 N ATOM 432 CA PRO A 28 -10.034 9.215 -3.593 1.00 0.00 C ATOM 433 C PRO A 28 -11.036 9.183 -2.441 1.00 0.00 C ATOM 434 O PRO A 28 -12.133 9.730 -2.562 1.00 0.00 O ATOM 435 CB PRO A 28 -10.698 9.838 -4.833 1.00 0.00 C ATOM 436 CG PRO A 28 -10.365 8.927 -5.967 1.00 0.00 C ATOM 437 CD PRO A 28 -10.219 7.566 -5.361 1.00 0.00 C ATOM 0 HA PRO A 28 -9.175 9.769 -3.214 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.777 9.920 -4.700 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.321 10.845 -5.015 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.151 8.938 -6.722 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.444 9.237 -6.461 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.177 7.054 -5.273 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.568 6.924 -5.954 1.00 0.00 H new ATOM 445 N ALA A 29 -10.649 8.543 -1.334 1.00 0.00 N ATOM 446 CA ALA A 29 -11.473 8.473 -0.121 1.00 0.00 C ATOM 447 C ALA A 29 -12.722 7.618 -0.340 1.00 0.00 C ATOM 448 O ALA A 29 -12.805 6.497 0.166 1.00 0.00 O ATOM 449 CB ALA A 29 -11.850 9.869 0.368 1.00 0.00 C ATOM 0 H ALA A 29 -9.755 8.058 -1.252 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.874 7.992 0.653 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.460 9.787 1.268 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.945 10.432 0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.415 10.386 -0.408 1.00 0.00 H new ATOM 455 N ASN A 30 -13.677 8.132 -1.112 1.00 0.00 N ATOM 456 CA ASN A 30 -14.906 7.395 -1.393 1.00 0.00 C ATOM 457 C ASN A 30 -14.606 6.215 -2.309 1.00 0.00 C ATOM 458 O ASN A 30 -15.000 5.088 -2.020 1.00 0.00 O ATOM 459 CB ASN A 30 -16.000 8.297 -2.001 1.00 0.00 C ATOM 460 CG ASN A 30 -15.569 9.016 -3.268 1.00 0.00 C ATOM 461 OD1 ASN A 30 -15.686 8.487 -4.373 1.00 0.00 O ATOM 462 ND2 ASN A 30 -15.082 10.237 -3.118 1.00 0.00 N ATOM 0 H ASN A 30 -13.624 9.051 -1.552 1.00 0.00 H new ATOM 0 HA ASN A 30 -15.295 7.023 -0.445 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -16.878 7.689 -2.220 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -16.301 9.037 -1.259 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.789 10.773 -3.935 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -15.000 10.642 -2.186 1.00 0.00 H new ATOM 469 N THR A 31 -13.886 6.484 -3.397 1.00 0.00 N ATOM 470 CA THR A 31 -13.396 5.444 -4.297 1.00 0.00 C ATOM 471 C THR A 31 -14.533 4.679 -4.977 1.00 0.00 C ATOM 472 O THR A 31 -15.129 3.775 -4.393 1.00 0.00 O ATOM 473 CB THR A 31 -12.495 4.450 -3.546 1.00 0.00 C ATOM 474 OG1 THR A 31 -11.558 5.170 -2.736 1.00 0.00 O ATOM 475 CG2 THR A 31 -11.748 3.551 -4.519 1.00 0.00 C ATOM 0 H THR A 31 -13.626 7.429 -3.678 1.00 0.00 H new ATOM 0 HA THR A 31 -12.819 5.952 -5.070 1.00 0.00 H new ATOM 0 HB THR A 31 -13.123 3.823 -2.913 1.00 0.00 H new ATOM 0 HG1 THR A 31 -11.350 4.648 -1.933 1.00 0.00 H new ATOM 0 HG21 THR A 31 -11.118 2.857 -3.963 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.464 2.990 -5.119 1.00 0.00 H new ATOM 0 HG23 THR A 31 -11.126 4.161 -5.174 1.00 0.00 H new ATOM 483 N ARG A 32 -14.830 5.047 -6.213 1.00 0.00 N ATOM 484 CA ARG A 32 -15.853 4.358 -6.986 1.00 0.00 C ATOM 485 C ARG A 32 -15.374 2.952 -7.339 1.00 0.00 C ATOM 486 O ARG A 32 -14.440 2.802 -8.132 1.00 0.00 O ATOM 487 CB ARG A 32 -16.167 5.133 -8.266 1.00 0.00 C ATOM 488 CG ARG A 32 -17.467 4.718 -8.931 1.00 0.00 C ATOM 489 CD ARG A 32 -17.506 5.119 -10.398 1.00 0.00 C ATOM 490 NE ARG A 32 -16.978 6.463 -10.634 1.00 0.00 N ATOM 491 CZ ARG A 32 -17.594 7.396 -11.357 1.00 0.00 C ATOM 492 NH1 ARG A 32 -18.844 7.214 -11.769 1.00 0.00 N ATOM 493 NH2 ARG A 32 -16.967 8.532 -11.638 1.00 0.00 N ATOM 0 H ARG A 32 -14.378 5.819 -6.703 1.00 0.00 H new ATOM 0 HA ARG A 32 -16.760 4.292 -6.385 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -16.212 6.197 -8.033 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.348 4.996 -8.973 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -17.590 3.638 -8.846 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -18.306 5.176 -8.407 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -16.931 4.400 -10.982 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -18.534 5.070 -10.756 1.00 0.00 H new ATOM 0 HE ARG A 32 -16.078 6.701 -10.217 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -19.339 6.354 -11.532 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -19.308 7.934 -12.322 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -16.017 8.687 -11.300 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -17.435 9.249 -12.192 1.00 0.00 H new ATOM 507 N ARG A 33 -16.004 1.945 -6.730 1.00 0.00 N ATOM 508 CA ARG A 33 -15.672 0.536 -6.967 1.00 0.00 C ATOM 509 C ARG A 33 -14.325 0.144 -6.364 1.00 0.00 C ATOM 510 O ARG A 33 -13.263 0.441 -6.920 1.00 0.00 O ATOM 511 CB ARG A 33 -15.684 0.199 -8.465 1.00 0.00 C ATOM 512 CG ARG A 33 -17.067 -0.074 -9.020 1.00 0.00 C ATOM 513 CD ARG A 33 -17.659 -1.334 -8.415 1.00 0.00 C ATOM 514 NE ARG A 33 -18.957 -1.667 -8.993 1.00 0.00 N ATOM 515 CZ ARG A 33 -19.737 -2.649 -8.547 1.00 0.00 C ATOM 516 NH1 ARG A 33 -19.345 -3.407 -7.526 1.00 0.00 N ATOM 517 NH2 ARG A 33 -20.907 -2.878 -9.129 1.00 0.00 N ATOM 0 H ARG A 33 -16.759 2.082 -6.058 1.00 0.00 H new ATOM 0 HA ARG A 33 -16.447 -0.043 -6.466 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.238 1.026 -9.017 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -15.055 -0.675 -8.636 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -17.720 0.774 -8.813 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -17.014 -0.178 -10.104 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -16.971 -2.166 -8.568 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -17.766 -1.202 -7.338 1.00 0.00 H new ATOM 0 HE ARG A 33 -19.286 -1.115 -9.785 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -18.443 -3.237 -7.081 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -19.947 -4.158 -7.188 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -21.207 -2.302 -9.916 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -21.507 -3.630 -8.790 1.00 0.00 H new ATOM 531 N TRP A 34 -14.376 -0.522 -5.220 1.00 0.00 N ATOM 532 CA TRP A 34 -13.187 -1.125 -4.640 1.00 0.00 C ATOM 533 C TRP A 34 -12.949 -2.490 -5.267 1.00 0.00 C ATOM 534 O TRP A 34 -13.637 -3.459 -4.945 1.00 0.00 O ATOM 535 CB TRP A 34 -13.311 -1.289 -3.123 1.00 0.00 C ATOM 536 CG TRP A 34 -13.191 -0.016 -2.343 1.00 0.00 C ATOM 537 CD1 TRP A 34 -14.212 0.761 -1.875 1.00 0.00 C ATOM 538 CD2 TRP A 34 -11.976 0.612 -1.914 1.00 0.00 C ATOM 539 NE1 TRP A 34 -13.706 1.833 -1.179 1.00 0.00 N ATOM 540 CE2 TRP A 34 -12.336 1.764 -1.190 1.00 0.00 C ATOM 541 CE3 TRP A 34 -10.615 0.311 -2.073 1.00 0.00 C ATOM 542 CZ2 TRP A 34 -11.386 2.611 -0.622 1.00 0.00 C ATOM 543 CZ3 TRP A 34 -9.678 1.153 -1.509 1.00 0.00 C ATOM 544 CH2 TRP A 34 -10.066 2.290 -0.791 1.00 0.00 C ATOM 0 H TRP A 34 -15.228 -0.658 -4.676 1.00 0.00 H new ATOM 0 HA TRP A 34 -12.349 -0.459 -4.843 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -14.274 -1.747 -2.898 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -12.541 -1.982 -2.782 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -15.262 0.562 -2.029 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -14.259 2.561 -0.728 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -10.306 -0.563 -2.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -11.681 3.490 -0.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -8.627 0.931 -1.624 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -9.308 2.928 -0.361 1.00 0.00 H new ATOM 555 N VAL A 35 -12.008 -2.554 -6.187 1.00 0.00 N ATOM 556 CA VAL A 35 -11.645 -3.817 -6.807 1.00 0.00 C ATOM 557 C VAL A 35 -10.394 -4.386 -6.146 1.00 0.00 C ATOM 558 O VAL A 35 -9.677 -3.666 -5.445 1.00 0.00 O ATOM 559 CB VAL A 35 -11.417 -3.663 -8.327 1.00 0.00 C ATOM 560 CG1 VAL A 35 -12.716 -3.284 -9.025 1.00 0.00 C ATOM 561 CG2 VAL A 35 -10.337 -2.630 -8.614 1.00 0.00 C ATOM 0 H VAL A 35 -11.480 -1.749 -6.523 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.477 -4.507 -6.664 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.080 -4.623 -8.718 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.537 -3.180 -10.095 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.460 -4.062 -8.856 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.082 -2.339 -8.624 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.196 -2.541 -9.691 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.639 -1.665 -8.206 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.402 -2.943 -8.150 1.00 0.00 H new ATOM 571 N ALA A 36 -10.141 -5.672 -6.364 1.00 0.00 N ATOM 572 CA ALA A 36 -8.984 -6.341 -5.778 1.00 0.00 C ATOM 573 C ALA A 36 -7.686 -5.647 -6.179 1.00 0.00 C ATOM 574 O ALA A 36 -6.763 -5.518 -5.373 1.00 0.00 O ATOM 575 CB ALA A 36 -8.958 -7.805 -6.189 1.00 0.00 C ATOM 0 H ALA A 36 -10.724 -6.275 -6.945 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.071 -6.284 -4.693 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.090 -8.292 -5.745 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.867 -8.297 -5.842 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.899 -7.877 -7.275 1.00 0.00 H new ATOM 581 N SER A 37 -7.636 -5.189 -7.422 1.00 0.00 N ATOM 582 CA SER A 37 -6.478 -4.472 -7.934 1.00 0.00 C ATOM 583 C SER A 37 -6.218 -3.204 -7.119 1.00 0.00 C ATOM 584 O SER A 37 -5.071 -2.859 -6.849 1.00 0.00 O ATOM 585 CB SER A 37 -6.692 -4.120 -9.407 1.00 0.00 C ATOM 586 OG SER A 37 -7.011 -5.278 -10.165 1.00 0.00 O ATOM 0 H SER A 37 -8.391 -5.303 -8.099 1.00 0.00 H new ATOM 0 HA SER A 37 -5.605 -5.118 -7.845 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.496 -3.389 -9.497 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.792 -3.655 -9.808 1.00 0.00 H new ATOM 0 HG SER A 37 -7.145 -5.028 -11.103 1.00 0.00 H new ATOM 592 N ARG A 38 -7.288 -2.532 -6.692 1.00 0.00 N ATOM 593 CA ARG A 38 -7.143 -1.295 -5.936 1.00 0.00 C ATOM 594 C ARG A 38 -6.759 -1.563 -4.496 1.00 0.00 C ATOM 595 O ARG A 38 -6.107 -0.734 -3.876 1.00 0.00 O ATOM 596 CB ARG A 38 -8.404 -0.431 -6.020 1.00 0.00 C ATOM 597 CG ARG A 38 -8.320 0.580 -7.151 1.00 0.00 C ATOM 598 CD ARG A 38 -9.492 1.546 -7.173 1.00 0.00 C ATOM 599 NE ARG A 38 -9.291 2.580 -8.187 1.00 0.00 N ATOM 600 CZ ARG A 38 -10.192 2.913 -9.111 1.00 0.00 C ATOM 601 NH1 ARG A 38 -11.397 2.354 -9.104 1.00 0.00 N ATOM 602 NH2 ARG A 38 -9.882 3.810 -10.039 1.00 0.00 N ATOM 0 H ARG A 38 -8.252 -2.822 -6.856 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.329 -0.734 -6.395 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.274 -1.071 -6.168 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.550 0.092 -5.075 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.393 1.145 -7.058 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.276 0.050 -8.102 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.414 1.002 -7.379 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.607 2.009 -6.193 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.402 3.080 -8.187 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.636 1.667 -8.389 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.083 2.612 -9.813 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.958 4.241 -10.043 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.568 4.068 -10.748 1.00 0.00 H new ATOM 616 N LYS A 39 -7.149 -2.716 -3.965 1.00 0.00 N ATOM 617 CA LYS A 39 -6.646 -3.148 -2.666 1.00 0.00 C ATOM 618 C LYS A 39 -5.123 -3.135 -2.697 1.00 0.00 C ATOM 619 O LYS A 39 -4.460 -2.478 -1.884 1.00 0.00 O ATOM 620 CB LYS A 39 -7.118 -4.567 -2.332 1.00 0.00 C ATOM 621 CG LYS A 39 -8.623 -4.731 -2.219 1.00 0.00 C ATOM 622 CD LYS A 39 -8.968 -6.124 -1.715 1.00 0.00 C ATOM 623 CE LYS A 39 -10.462 -6.308 -1.507 1.00 0.00 C ATOM 624 NZ LYS A 39 -10.763 -7.573 -0.780 1.00 0.00 N ATOM 0 H LYS A 39 -7.804 -3.362 -4.407 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.027 -2.466 -1.905 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.750 -5.247 -3.100 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.662 -4.873 -1.390 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.027 -3.981 -1.539 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.087 -4.563 -3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.609 -6.866 -2.429 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.447 -6.307 -0.775 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.859 -5.462 -0.946 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.966 -6.314 -2.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.791 -7.666 -0.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.406 -8.382 -1.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.302 -7.556 0.152 1.00 0.00 H new ATOM 638 N ILE A 40 -4.592 -3.845 -3.685 1.00 0.00 N ATOM 639 CA ILE A 40 -3.158 -3.946 -3.904 1.00 0.00 C ATOM 640 C ILE A 40 -2.564 -2.575 -4.232 1.00 0.00 C ATOM 641 O ILE A 40 -1.443 -2.254 -3.829 1.00 0.00 O ATOM 642 CB ILE A 40 -2.857 -4.923 -5.063 1.00 0.00 C ATOM 643 CG1 ILE A 40 -3.572 -6.259 -4.833 1.00 0.00 C ATOM 644 CG2 ILE A 40 -1.360 -5.139 -5.212 1.00 0.00 C ATOM 645 CD1 ILE A 40 -3.435 -7.229 -5.986 1.00 0.00 C ATOM 0 H ILE A 40 -5.149 -4.369 -4.360 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.704 -4.322 -2.987 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.230 -4.483 -5.988 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.174 -6.723 -3.930 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.630 -6.068 -4.654 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.172 -5.830 -6.034 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.874 -4.186 -5.421 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.959 -5.556 -4.288 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.966 -8.151 -5.751 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.859 -6.785 -6.887 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.381 -7.450 -6.152 1.00 0.00 H new ATOM 657 N ALA A 41 -3.330 -1.770 -4.958 1.00 0.00 N ATOM 658 CA ALA A 41 -2.888 -0.445 -5.359 1.00 0.00 C ATOM 659 C ALA A 41 -2.714 0.483 -4.163 1.00 0.00 C ATOM 660 O ALA A 41 -1.828 1.332 -4.169 1.00 0.00 O ATOM 661 CB ALA A 41 -3.860 0.161 -6.358 1.00 0.00 C ATOM 0 H ALA A 41 -4.266 -2.016 -5.282 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.913 -0.558 -5.833 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.513 1.153 -6.647 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.918 -0.475 -7.241 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.847 0.240 -5.903 1.00 0.00 H new ATOM 667 N VAL A 42 -3.546 0.325 -3.135 1.00 0.00 N ATOM 668 CA VAL A 42 -3.434 1.170 -1.952 1.00 0.00 C ATOM 669 C VAL A 42 -2.174 0.826 -1.169 1.00 0.00 C ATOM 670 O VAL A 42 -1.333 1.694 -0.938 1.00 0.00 O ATOM 671 CB VAL A 42 -4.652 1.066 -1.007 1.00 0.00 C ATOM 672 CG1 VAL A 42 -4.536 2.081 0.119 1.00 0.00 C ATOM 673 CG2 VAL A 42 -5.944 1.285 -1.762 1.00 0.00 C ATOM 0 H VAL A 42 -4.293 -0.369 -3.098 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.390 2.195 -2.321 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.664 0.061 -0.584 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.401 1.996 0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.627 1.890 0.689 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.497 3.086 -0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.785 1.206 -1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.937 2.276 -2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.042 0.530 -2.542 1.00 0.00 H new ATOM 683 N VAL A 43 -2.030 -0.442 -0.787 1.00 0.00 N ATOM 684 CA VAL A 43 -0.871 -0.861 0.004 1.00 0.00 C ATOM 685 C VAL A 43 0.442 -0.570 -0.717 1.00 0.00 C ATOM 686 O VAL A 43 1.385 -0.066 -0.110 1.00 0.00 O ATOM 687 CB VAL A 43 -0.919 -2.351 0.411 1.00 0.00 C ATOM 688 CG1 VAL A 43 -1.592 -2.503 1.760 1.00 0.00 C ATOM 689 CG2 VAL A 43 -1.643 -3.191 -0.628 1.00 0.00 C ATOM 0 H VAL A 43 -2.690 -1.188 -1.007 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.917 -0.267 0.917 1.00 0.00 H new ATOM 0 HB VAL A 43 0.108 -2.710 0.477 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.620 -3.557 2.036 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.032 -1.946 2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.609 -2.115 1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.657 -4.233 -0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.666 -2.831 -0.738 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.126 -3.112 -1.584 1.00 0.00 H new ATOM 699 N ARG A 44 0.503 -0.856 -2.009 1.00 0.00 N ATOM 700 CA ARG A 44 1.714 -0.584 -2.771 1.00 0.00 C ATOM 701 C ARG A 44 1.872 0.912 -3.021 1.00 0.00 C ATOM 702 O ARG A 44 2.985 1.430 -3.028 1.00 0.00 O ATOM 703 CB ARG A 44 1.715 -1.339 -4.100 1.00 0.00 C ATOM 704 CG ARG A 44 1.729 -2.850 -3.946 1.00 0.00 C ATOM 705 CD ARG A 44 1.942 -3.544 -5.283 1.00 0.00 C ATOM 706 NE ARG A 44 0.962 -3.127 -6.286 1.00 0.00 N ATOM 707 CZ ARG A 44 0.883 -3.647 -7.513 1.00 0.00 C ATOM 708 NH1 ARG A 44 1.699 -4.622 -7.886 1.00 0.00 N ATOM 709 NH2 ARG A 44 -0.023 -3.194 -8.371 1.00 0.00 N ATOM 0 H ARG A 44 -0.259 -1.270 -2.546 1.00 0.00 H new ATOM 0 HA ARG A 44 2.559 -0.933 -2.178 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.834 -1.050 -4.672 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.586 -1.034 -4.680 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.520 -3.139 -3.254 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.787 -3.181 -3.509 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.946 -3.327 -5.647 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.880 -4.623 -5.144 1.00 0.00 H new ATOM 0 HE ARG A 44 0.299 -2.395 -6.032 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.395 -4.982 -7.233 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.631 -5.013 -8.826 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.660 -2.447 -8.093 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.082 -3.592 -9.308 1.00 0.00 H new ATOM 723 N GLY A 45 0.751 1.594 -3.214 1.00 0.00 N ATOM 724 CA GLY A 45 0.777 3.015 -3.497 1.00 0.00 C ATOM 725 C GLY A 45 1.260 3.848 -2.327 1.00 0.00 C ATOM 726 O GLY A 45 1.866 4.897 -2.518 1.00 0.00 O ATOM 0 H GLY A 45 -0.182 1.184 -3.179 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.424 3.196 -4.355 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.224 3.341 -3.778 1.00 0.00 H new ATOM 730 N VAL A 46 0.989 3.398 -1.108 1.00 0.00 N ATOM 731 CA VAL A 46 1.432 4.134 0.066 1.00 0.00 C ATOM 732 C VAL A 46 2.802 3.654 0.547 1.00 0.00 C ATOM 733 O VAL A 46 3.732 4.450 0.629 1.00 0.00 O ATOM 734 CB VAL A 46 0.402 4.089 1.223 1.00 0.00 C ATOM 735 CG1 VAL A 46 -0.866 4.831 0.829 1.00 0.00 C ATOM 736 CG2 VAL A 46 0.069 2.659 1.630 1.00 0.00 C ATOM 0 H VAL A 46 0.473 2.541 -0.909 1.00 0.00 H new ATOM 0 HA VAL A 46 1.522 5.175 -0.246 1.00 0.00 H new ATOM 0 HB VAL A 46 0.854 4.581 2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.581 4.792 1.651 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.625 5.871 0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.302 4.363 -0.054 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.656 2.672 2.444 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.352 2.127 0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.977 2.154 1.961 1.00 0.00 H new ATOM 746 N ILE A 47 2.929 2.352 0.801 1.00 0.00 N ATOM 747 CA ILE A 47 4.145 1.781 1.384 1.00 0.00 C ATOM 748 C ILE A 47 5.353 1.957 0.463 1.00 0.00 C ATOM 749 O ILE A 47 6.432 2.345 0.903 1.00 0.00 O ATOM 750 CB ILE A 47 3.946 0.278 1.694 1.00 0.00 C ATOM 751 CG1 ILE A 47 2.833 0.087 2.729 1.00 0.00 C ATOM 752 CG2 ILE A 47 5.238 -0.354 2.189 1.00 0.00 C ATOM 753 CD1 ILE A 47 2.517 -1.366 3.022 1.00 0.00 C ATOM 0 H ILE A 47 2.198 1.667 0.610 1.00 0.00 H new ATOM 0 HA ILE A 47 4.341 2.321 2.310 1.00 0.00 H new ATOM 0 HB ILE A 47 3.656 -0.220 0.769 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.123 0.581 3.656 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.929 0.582 2.373 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.069 -1.410 2.399 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.008 -0.255 1.424 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.564 0.149 3.099 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.720 -1.423 3.763 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.196 -1.861 2.105 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.408 -1.861 3.408 1.00 0.00 H new ATOM 765 N TYR A 48 5.159 1.678 -0.815 1.00 0.00 N ATOM 766 CA TYR A 48 6.240 1.768 -1.784 1.00 0.00 C ATOM 767 C TYR A 48 6.199 3.116 -2.493 1.00 0.00 C ATOM 768 O TYR A 48 7.171 3.539 -3.124 1.00 0.00 O ATOM 769 CB TYR A 48 6.110 0.624 -2.799 1.00 0.00 C ATOM 770 CG TYR A 48 7.230 0.550 -3.816 1.00 0.00 C ATOM 771 CD1 TYR A 48 8.499 0.113 -3.456 1.00 0.00 C ATOM 772 CD2 TYR A 48 7.014 0.915 -5.140 1.00 0.00 C ATOM 773 CE1 TYR A 48 9.520 0.041 -4.385 1.00 0.00 C ATOM 774 CE2 TYR A 48 8.031 0.845 -6.074 1.00 0.00 C ATOM 775 CZ TYR A 48 9.281 0.408 -5.692 1.00 0.00 C ATOM 776 OH TYR A 48 10.295 0.337 -6.622 1.00 0.00 O ATOM 0 H TYR A 48 4.263 1.387 -1.206 1.00 0.00 H new ATOM 0 HA TYR A 48 7.197 1.681 -1.269 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.066 -0.321 -2.257 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.163 0.732 -3.328 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.691 -0.175 -2.433 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.036 1.259 -5.444 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.500 -0.301 -4.088 1.00 0.00 H new ATOM 0 HE2 TYR A 48 7.847 1.132 -7.099 1.00 0.00 H new ATOM 0 HH TYR A 48 9.959 0.630 -7.495 1.00 0.00 H new ATOM 786 N GLY A 49 5.065 3.790 -2.374 1.00 0.00 N ATOM 787 CA GLY A 49 4.846 4.994 -3.138 1.00 0.00 C ATOM 788 C GLY A 49 5.042 6.280 -2.359 1.00 0.00 C ATOM 789 O GLY A 49 6.042 6.977 -2.540 1.00 0.00 O ATOM 0 H GLY A 49 4.294 3.523 -1.761 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.523 4.995 -3.992 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.831 4.977 -3.536 1.00 0.00 H new ATOM 793 N LEU A 50 4.094 6.594 -1.482 1.00 0.00 N ATOM 794 CA LEU A 50 3.983 7.941 -0.940 1.00 0.00 C ATOM 795 C LEU A 50 4.553 8.073 0.469 1.00 0.00 C ATOM 796 O LEU A 50 5.651 8.602 0.656 1.00 0.00 O ATOM 797 CB LEU A 50 2.515 8.382 -0.945 1.00 0.00 C ATOM 798 CG LEU A 50 1.814 8.314 -2.306 1.00 0.00 C ATOM 799 CD1 LEU A 50 0.359 8.737 -2.181 1.00 0.00 C ATOM 800 CD2 LEU A 50 2.531 9.186 -3.325 1.00 0.00 C ATOM 0 H LEU A 50 3.396 5.937 -1.134 1.00 0.00 H new ATOM 0 HA LEU A 50 4.579 8.588 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.964 7.760 -0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.460 9.407 -0.577 1.00 0.00 H new ATOM 0 HG LEU A 50 1.846 7.281 -2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.121 8.682 -3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.155 8.073 -1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.308 9.760 -1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.017 9.123 -4.284 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.533 10.220 -2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.558 8.840 -3.441 1.00 0.00 H new ATOM 812 N ILE A 51 3.814 7.588 1.464 1.00 0.00 N ATOM 813 CA ILE A 51 4.141 7.874 2.861 1.00 0.00 C ATOM 814 C ILE A 51 4.172 6.610 3.709 1.00 0.00 C ATOM 815 O ILE A 51 3.818 5.529 3.246 1.00 0.00 O ATOM 816 CB ILE A 51 3.146 8.877 3.509 1.00 0.00 C ATOM 817 CG1 ILE A 51 1.758 8.243 3.747 1.00 0.00 C ATOM 818 CG2 ILE A 51 3.018 10.136 2.662 1.00 0.00 C ATOM 819 CD1 ILE A 51 0.984 7.905 2.490 1.00 0.00 C ATOM 0 H ILE A 51 2.991 7.000 1.332 1.00 0.00 H new ATOM 0 HA ILE A 51 5.134 8.322 2.839 1.00 0.00 H new ATOM 0 HB ILE A 51 3.553 9.149 4.483 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.887 7.332 4.332 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.161 8.927 4.350 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.317 10.823 3.135 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.993 10.616 2.574 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.653 9.871 1.670 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.024 7.465 2.761 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.817 8.813 1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.553 7.193 1.892 1.00 0.00 H new ATOM 831 N THR A 52 4.577 6.765 4.963 1.00 0.00 N ATOM 832 CA THR A 52 4.648 5.647 5.889 1.00 0.00 C ATOM 833 C THR A 52 3.251 5.172 6.284 1.00 0.00 C ATOM 834 O THR A 52 2.258 5.877 6.080 1.00 0.00 O ATOM 835 CB THR A 52 5.428 6.029 7.163 1.00 0.00 C ATOM 836 OG1 THR A 52 4.841 7.191 7.769 1.00 0.00 O ATOM 837 CG2 THR A 52 6.893 6.301 6.848 1.00 0.00 C ATOM 0 H THR A 52 4.862 7.660 5.362 1.00 0.00 H new ATOM 0 HA THR A 52 5.171 4.840 5.377 1.00 0.00 H new ATOM 0 HB THR A 52 5.374 5.190 7.856 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.341 7.426 8.578 1.00 0.00 H new ATOM 0 HG21 THR A 52 7.419 6.568 7.765 1.00 0.00 H new ATOM 0 HG22 THR A 52 7.345 5.407 6.418 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.965 7.123 6.136 1.00 0.00 H new ATOM 845 N LEU A 53 3.185 3.982 6.875 1.00 0.00 N ATOM 846 CA LEU A 53 1.921 3.407 7.318 1.00 0.00 C ATOM 847 C LEU A 53 1.300 4.252 8.428 1.00 0.00 C ATOM 848 O LEU A 53 0.105 4.175 8.672 1.00 0.00 O ATOM 849 CB LEU A 53 2.128 1.962 7.796 1.00 0.00 C ATOM 850 CG LEU A 53 0.896 1.282 8.400 1.00 0.00 C ATOM 851 CD1 LEU A 53 -0.255 1.256 7.407 1.00 0.00 C ATOM 852 CD2 LEU A 53 1.239 -0.125 8.859 1.00 0.00 C ATOM 0 H LEU A 53 3.999 3.395 7.058 1.00 0.00 H new ATOM 0 HA LEU A 53 1.235 3.399 6.471 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.473 1.365 6.952 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.926 1.955 8.539 1.00 0.00 H new ATOM 0 HG LEU A 53 0.578 1.862 9.266 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.117 0.768 7.862 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.520 2.276 7.131 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.046 0.705 6.516 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.353 -0.595 9.286 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.586 -0.711 8.008 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.025 -0.080 9.613 1.00 0.00 H new ATOM 864 N ALA A 54 2.114 5.070 9.085 1.00 0.00 N ATOM 865 CA ALA A 54 1.622 5.943 10.143 1.00 0.00 C ATOM 866 C ALA A 54 0.543 6.879 9.608 1.00 0.00 C ATOM 867 O ALA A 54 -0.556 6.967 10.161 1.00 0.00 O ATOM 868 CB ALA A 54 2.765 6.742 10.752 1.00 0.00 C ATOM 0 H ALA A 54 3.115 5.147 8.904 1.00 0.00 H new ATOM 0 HA ALA A 54 1.182 5.321 10.923 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.378 7.388 11.540 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.503 6.059 11.173 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.234 7.352 9.980 1.00 0.00 H new ATOM 874 N GLU A 55 0.845 7.553 8.507 1.00 0.00 N ATOM 875 CA GLU A 55 -0.104 8.475 7.906 1.00 0.00 C ATOM 876 C GLU A 55 -1.105 7.710 7.046 1.00 0.00 C ATOM 877 O GLU A 55 -2.279 8.076 6.968 1.00 0.00 O ATOM 878 CB GLU A 55 0.622 9.525 7.070 1.00 0.00 C ATOM 879 CG GLU A 55 -0.288 10.643 6.595 1.00 0.00 C ATOM 880 CD GLU A 55 0.443 11.679 5.775 1.00 0.00 C ATOM 881 OE1 GLU A 55 1.264 12.425 6.348 1.00 0.00 O ATOM 882 OE2 GLU A 55 0.187 11.764 4.559 1.00 0.00 O ATOM 0 H GLU A 55 1.735 7.478 8.015 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.644 8.986 8.703 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.434 9.951 7.659 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.075 9.042 6.205 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.097 10.220 6.000 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.746 11.125 7.459 1.00 0.00 H new ATOM 889 N ALA A 56 -0.638 6.635 6.419 1.00 0.00 N ATOM 890 CA ALA A 56 -1.502 5.788 5.601 1.00 0.00 C ATOM 891 C ALA A 56 -2.553 5.096 6.456 1.00 0.00 C ATOM 892 O ALA A 56 -3.568 4.659 5.947 1.00 0.00 O ATOM 893 CB ALA A 56 -0.677 4.762 4.839 1.00 0.00 C ATOM 0 H ALA A 56 0.334 6.329 6.461 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.016 6.425 4.881 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.338 4.140 4.235 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.032 5.275 4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.134 4.135 5.546 1.00 0.00 H new ATOM 899 N LYS A 57 -2.296 4.995 7.749 1.00 0.00 N ATOM 900 CA LYS A 57 -3.277 4.465 8.684 1.00 0.00 C ATOM 901 C LYS A 57 -4.264 5.561 9.071 1.00 0.00 C ATOM 902 O LYS A 57 -5.473 5.350 9.075 1.00 0.00 O ATOM 903 CB LYS A 57 -2.574 3.918 9.928 1.00 0.00 C ATOM 904 CG LYS A 57 -3.508 3.369 10.994 1.00 0.00 C ATOM 905 CD LYS A 57 -2.738 2.965 12.242 1.00 0.00 C ATOM 906 CE LYS A 57 -1.843 1.759 11.986 1.00 0.00 C ATOM 907 NZ LYS A 57 -2.624 0.499 11.876 1.00 0.00 N ATOM 0 H LYS A 57 -1.413 5.274 8.178 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.823 3.651 8.208 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.888 3.128 9.623 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.971 4.713 10.367 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.254 4.121 11.251 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.047 2.507 10.601 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.130 3.804 12.582 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.440 2.734 13.044 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.277 1.916 11.068 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.119 1.667 12.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.050 -0.297 12.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.489 0.576 12.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.880 0.335 10.882 1.00 0.00 H new ATOM 921 N GLN A 58 -3.732 6.740 9.372 1.00 0.00 N ATOM 922 CA GLN A 58 -4.561 7.877 9.760 1.00 0.00 C ATOM 923 C GLN A 58 -5.536 8.269 8.648 1.00 0.00 C ATOM 924 O GLN A 58 -6.714 8.524 8.909 1.00 0.00 O ATOM 925 CB GLN A 58 -3.677 9.069 10.128 1.00 0.00 C ATOM 926 CG GLN A 58 -2.898 8.871 11.417 1.00 0.00 C ATOM 927 CD GLN A 58 -1.901 9.983 11.667 1.00 0.00 C ATOM 928 OE1 GLN A 58 -2.226 11.001 12.271 1.00 0.00 O ATOM 929 NE2 GLN A 58 -0.671 9.785 11.222 1.00 0.00 N ATOM 0 H GLN A 58 -2.731 6.934 9.355 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.149 7.580 10.629 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.976 9.256 9.314 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.301 9.958 10.223 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.594 8.816 12.254 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.372 7.917 11.377 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.441 8.925 10.724 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.047 10.492 11.377 1.00 0.00 H new ATOM 938 N THR A 59 -5.047 8.314 7.415 1.00 0.00 N ATOM 939 CA THR A 59 -5.873 8.727 6.291 1.00 0.00 C ATOM 940 C THR A 59 -6.488 7.526 5.567 1.00 0.00 C ATOM 941 O THR A 59 -7.701 7.468 5.369 1.00 0.00 O ATOM 942 CB THR A 59 -5.057 9.558 5.277 1.00 0.00 C ATOM 943 OG1 THR A 59 -4.315 10.582 5.958 1.00 0.00 O ATOM 944 CG2 THR A 59 -5.973 10.199 4.241 1.00 0.00 C ATOM 0 H THR A 59 -4.087 8.071 7.170 1.00 0.00 H new ATOM 0 HA THR A 59 -6.675 9.339 6.703 1.00 0.00 H new ATOM 0 HB THR A 59 -4.366 8.886 4.768 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.800 11.101 5.306 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.376 10.779 3.537 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.514 9.421 3.703 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.685 10.856 4.741 1.00 0.00 H new ATOM 952 N TYR A 60 -5.655 6.564 5.178 1.00 0.00 N ATOM 953 CA TYR A 60 -6.107 5.469 4.321 1.00 0.00 C ATOM 954 C TYR A 60 -6.263 4.169 5.104 1.00 0.00 C ATOM 955 O TYR A 60 -6.355 3.093 4.517 1.00 0.00 O ATOM 956 CB TYR A 60 -5.129 5.255 3.161 1.00 0.00 C ATOM 957 CG TYR A 60 -4.722 6.537 2.464 1.00 0.00 C ATOM 958 CD1 TYR A 60 -5.601 7.206 1.623 1.00 0.00 C ATOM 959 CD2 TYR A 60 -3.461 7.085 2.662 1.00 0.00 C ATOM 960 CE1 TYR A 60 -5.234 8.384 0.998 1.00 0.00 C ATOM 961 CE2 TYR A 60 -3.085 8.260 2.039 1.00 0.00 C ATOM 962 CZ TYR A 60 -3.975 8.904 1.209 1.00 0.00 C ATOM 963 OH TYR A 60 -3.607 10.079 0.593 1.00 0.00 O ATOM 0 H TYR A 60 -4.670 6.519 5.440 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.083 5.750 3.926 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.236 4.757 3.538 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.584 4.584 2.432 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.587 6.800 1.454 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.762 6.584 3.315 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.930 8.894 0.348 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.099 8.670 2.202 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.689 10.308 0.848 1.00 0.00 H new ATOM 973 N GLY A 61 -6.297 4.277 6.429 1.00 0.00 N ATOM 974 CA GLY A 61 -6.329 3.097 7.271 1.00 0.00 C ATOM 975 C GLY A 61 -7.650 2.367 7.228 1.00 0.00 C ATOM 976 O GLY A 61 -7.710 1.206 7.623 1.00 0.00 O ATOM 0 H GLY A 61 -6.303 5.163 6.934 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.536 2.417 6.961 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.116 3.388 8.300 1.00 0.00 H new ATOM 980 N LEU A 62 -8.691 3.055 6.737 1.00 0.00 N ATOM 981 CA LEU A 62 -10.056 2.509 6.622 1.00 0.00 C ATOM 982 C LEU A 62 -10.398 1.555 7.766 1.00 0.00 C ATOM 983 O LEU A 62 -10.734 1.992 8.868 1.00 0.00 O ATOM 984 CB LEU A 62 -10.291 1.836 5.253 1.00 0.00 C ATOM 985 CG LEU A 62 -9.058 1.664 4.353 1.00 0.00 C ATOM 986 CD1 LEU A 62 -8.319 0.371 4.663 1.00 0.00 C ATOM 987 CD2 LEU A 62 -9.452 1.703 2.889 1.00 0.00 C ATOM 0 H LEU A 62 -8.611 4.016 6.405 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.734 3.360 6.697 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.726 0.852 5.427 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.032 2.421 4.708 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.384 2.496 4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.452 0.281 4.008 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.989 0.380 5.702 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.985 -0.477 4.501 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.564 1.579 2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.155 0.897 2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.921 2.661 2.664 1.00 0.00 H new ATOM 999 N SER A 63 -10.310 0.254 7.509 1.00 0.00 N ATOM 1000 CA SER A 63 -10.419 -0.733 8.562 1.00 0.00 C ATOM 1001 C SER A 63 -9.059 -1.388 8.760 1.00 0.00 C ATOM 1002 O SER A 63 -8.425 -1.806 7.790 1.00 0.00 O ATOM 1003 CB SER A 63 -11.484 -1.782 8.212 1.00 0.00 C ATOM 1004 OG SER A 63 -11.570 -2.784 9.213 1.00 0.00 O ATOM 0 H SER A 63 -10.163 -0.135 6.578 1.00 0.00 H new ATOM 0 HA SER A 63 -10.728 -0.249 9.488 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.453 -1.296 8.097 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.243 -2.242 7.254 1.00 0.00 H new ATOM 0 HG SER A 63 -12.257 -3.437 8.964 1.00 0.00 H new ATOM 1010 N ASP A 64 -8.602 -1.452 10.008 1.00 0.00 N ATOM 1011 CA ASP A 64 -7.299 -2.036 10.319 1.00 0.00 C ATOM 1012 C ASP A 64 -7.225 -3.462 9.787 1.00 0.00 C ATOM 1013 O ASP A 64 -6.236 -3.856 9.175 1.00 0.00 O ATOM 1014 CB ASP A 64 -7.051 -2.020 11.833 1.00 0.00 C ATOM 1015 CG ASP A 64 -5.611 -2.329 12.202 1.00 0.00 C ATOM 1016 OD1 ASP A 64 -5.262 -3.520 12.338 1.00 0.00 O ATOM 1017 OD2 ASP A 64 -4.820 -1.374 12.384 1.00 0.00 O ATOM 0 H ASP A 64 -9.114 -1.107 10.820 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.525 -1.439 9.837 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.320 -1.041 12.229 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.707 -2.748 12.311 1.00 0.00 H new ATOM 1022 N GLU A 65 -8.305 -4.215 9.987 1.00 0.00 N ATOM 1023 CA GLU A 65 -8.391 -5.588 9.502 1.00 0.00 C ATOM 1024 C GLU A 65 -8.357 -5.625 7.979 1.00 0.00 C ATOM 1025 O GLU A 65 -7.816 -6.556 7.378 1.00 0.00 O ATOM 1026 CB GLU A 65 -9.679 -6.248 9.999 1.00 0.00 C ATOM 1027 CG GLU A 65 -9.787 -6.334 11.509 1.00 0.00 C ATOM 1028 CD GLU A 65 -8.670 -7.151 12.122 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -8.584 -8.363 11.837 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -7.874 -6.584 12.897 1.00 0.00 O ATOM 0 H GLU A 65 -9.136 -3.894 10.484 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.532 -6.137 9.888 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.533 -5.689 9.616 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -9.744 -7.253 9.583 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.771 -5.328 11.929 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.746 -6.776 11.777 1.00 0.00 H new ATOM 1037 N GLU A 66 -8.940 -4.606 7.362 1.00 0.00 N ATOM 1038 CA GLU A 66 -8.994 -4.509 5.911 1.00 0.00 C ATOM 1039 C GLU A 66 -7.597 -4.310 5.332 1.00 0.00 C ATOM 1040 O GLU A 66 -7.170 -5.054 4.450 1.00 0.00 O ATOM 1041 CB GLU A 66 -9.909 -3.359 5.478 1.00 0.00 C ATOM 1042 CG GLU A 66 -10.037 -3.231 3.976 1.00 0.00 C ATOM 1043 CD GLU A 66 -11.193 -2.354 3.556 1.00 0.00 C ATOM 1044 OE1 GLU A 66 -11.269 -1.197 4.008 1.00 0.00 O ATOM 1045 OE2 GLU A 66 -12.036 -2.826 2.762 1.00 0.00 O ATOM 0 H GLU A 66 -9.386 -3.829 7.850 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.402 -5.444 5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.899 -3.509 5.909 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.523 -2.424 5.884 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.111 -2.822 3.571 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.164 -4.223 3.542 1.00 0.00 H new ATOM 1052 N PHE A 67 -6.883 -3.323 5.857 1.00 0.00 N ATOM 1053 CA PHE A 67 -5.542 -3.008 5.382 1.00 0.00 C ATOM 1054 C PHE A 67 -4.633 -4.229 5.529 1.00 0.00 C ATOM 1055 O PHE A 67 -3.810 -4.517 4.659 1.00 0.00 O ATOM 1056 CB PHE A 67 -4.971 -1.820 6.165 1.00 0.00 C ATOM 1057 CG PHE A 67 -3.808 -1.148 5.488 1.00 0.00 C ATOM 1058 CD1 PHE A 67 -2.520 -1.641 5.626 1.00 0.00 C ATOM 1059 CD2 PHE A 67 -4.009 -0.014 4.717 1.00 0.00 C ATOM 1060 CE1 PHE A 67 -1.456 -1.019 5.004 1.00 0.00 C ATOM 1061 CE2 PHE A 67 -2.948 0.615 4.093 1.00 0.00 C ATOM 1062 CZ PHE A 67 -1.668 0.112 4.237 1.00 0.00 C ATOM 0 H PHE A 67 -7.212 -2.725 6.615 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.595 -2.737 4.328 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.762 -1.086 6.321 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.656 -2.164 7.150 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.347 -2.522 6.227 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -5.007 0.383 4.602 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.458 -1.416 5.116 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.118 1.498 3.494 1.00 0.00 H new ATOM 0 HZ PHE A 67 -0.836 0.601 3.752 1.00 0.00 H new ATOM 1072 N ASN A 68 -4.813 -4.959 6.628 1.00 0.00 N ATOM 1073 CA ASN A 68 -4.026 -6.162 6.888 1.00 0.00 C ATOM 1074 C ASN A 68 -4.317 -7.243 5.852 1.00 0.00 C ATOM 1075 O ASN A 68 -3.397 -7.894 5.354 1.00 0.00 O ATOM 1076 CB ASN A 68 -4.307 -6.726 8.286 1.00 0.00 C ATOM 1077 CG ASN A 68 -3.943 -5.772 9.406 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -3.055 -4.927 9.266 1.00 0.00 O ATOM 1079 ND2 ASN A 68 -4.615 -5.917 10.538 1.00 0.00 N ATOM 0 H ASN A 68 -5.497 -4.738 7.352 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.977 -5.871 6.825 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.365 -6.977 8.362 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -3.749 -7.654 8.414 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.405 -5.317 11.336 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.342 -6.629 10.612 1.00 0.00 H new ATOM 1086 N SER A 69 -5.596 -7.422 5.519 1.00 0.00 N ATOM 1087 CA SER A 69 -6.004 -8.486 4.604 1.00 0.00 C ATOM 1088 C SER A 69 -5.419 -8.279 3.213 1.00 0.00 C ATOM 1089 O SER A 69 -5.229 -9.239 2.465 1.00 0.00 O ATOM 1090 CB SER A 69 -7.531 -8.602 4.537 1.00 0.00 C ATOM 1091 OG SER A 69 -8.134 -7.425 4.018 1.00 0.00 O ATOM 0 H SER A 69 -6.363 -6.847 5.868 1.00 0.00 H new ATOM 0 HA SER A 69 -5.608 -9.423 4.997 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.802 -9.453 3.913 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.923 -8.800 5.534 1.00 0.00 H new ATOM 0 HG SER A 69 -7.772 -6.641 4.481 1.00 0.00 H new ATOM 1097 N TRP A 70 -5.118 -7.030 2.869 1.00 0.00 N ATOM 1098 CA TRP A 70 -4.512 -6.729 1.584 1.00 0.00 C ATOM 1099 C TRP A 70 -3.074 -7.230 1.557 1.00 0.00 C ATOM 1100 O TRP A 70 -2.644 -7.878 0.603 1.00 0.00 O ATOM 1101 CB TRP A 70 -4.546 -5.223 1.310 1.00 0.00 C ATOM 1102 CG TRP A 70 -5.927 -4.635 1.287 1.00 0.00 C ATOM 1103 CD1 TRP A 70 -7.115 -5.308 1.218 1.00 0.00 C ATOM 1104 CD2 TRP A 70 -6.254 -3.246 1.321 1.00 0.00 C ATOM 1105 NE1 TRP A 70 -8.160 -4.416 1.209 1.00 0.00 N ATOM 1106 CE2 TRP A 70 -7.656 -3.145 1.271 1.00 0.00 C ATOM 1107 CE3 TRP A 70 -5.496 -2.074 1.390 1.00 0.00 C ATOM 1108 CZ2 TRP A 70 -8.315 -1.919 1.286 1.00 0.00 C ATOM 1109 CZ3 TRP A 70 -6.150 -0.860 1.406 1.00 0.00 C ATOM 1110 CH2 TRP A 70 -7.547 -0.790 1.353 1.00 0.00 C ATOM 0 H TRP A 70 -5.284 -6.217 3.461 1.00 0.00 H new ATOM 0 HA TRP A 70 -5.083 -7.235 0.806 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.958 -4.712 2.073 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.064 -5.028 0.352 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -7.217 -6.382 1.177 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -9.149 -4.661 1.164 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -4.418 -2.118 1.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -9.393 -1.862 1.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -5.575 0.052 1.460 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -8.028 0.177 1.365 1.00 0.00 H new ATOM 1121 N VAL A 71 -2.346 -6.953 2.629 1.00 0.00 N ATOM 1122 CA VAL A 71 -0.951 -7.351 2.730 1.00 0.00 C ATOM 1123 C VAL A 71 -0.825 -8.870 2.816 1.00 0.00 C ATOM 1124 O VAL A 71 0.048 -9.469 2.183 1.00 0.00 O ATOM 1125 CB VAL A 71 -0.268 -6.715 3.957 1.00 0.00 C ATOM 1126 CG1 VAL A 71 1.215 -7.057 3.995 1.00 0.00 C ATOM 1127 CG2 VAL A 71 -0.473 -5.208 3.965 1.00 0.00 C ATOM 0 H VAL A 71 -2.701 -6.452 3.444 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.452 -6.996 1.829 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.732 -7.129 4.853 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.672 -6.596 4.870 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.338 -8.139 4.049 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.698 -6.682 3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.017 -4.779 4.839 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.043 -4.778 3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.540 -4.986 4.001 1.00 0.00 H new ATOM 1137 N SER A 72 -1.710 -9.499 3.583 1.00 0.00 N ATOM 1138 CA SER A 72 -1.676 -10.945 3.753 1.00 0.00 C ATOM 1139 C SER A 72 -2.071 -11.652 2.457 1.00 0.00 C ATOM 1140 O SER A 72 -1.637 -12.774 2.190 1.00 0.00 O ATOM 1141 CB SER A 72 -2.594 -11.365 4.905 1.00 0.00 C ATOM 1142 OG SER A 72 -3.929 -10.950 4.680 1.00 0.00 O ATOM 0 H SER A 72 -2.457 -9.030 4.095 1.00 0.00 H new ATOM 0 HA SER A 72 -0.656 -11.241 3.999 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.563 -12.448 5.020 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.230 -10.934 5.838 1.00 0.00 H new ATOM 0 HG SER A 72 -3.981 -10.461 3.832 1.00 0.00 H new ATOM 1148 N ALA A 73 -2.880 -10.980 1.642 1.00 0.00 N ATOM 1149 CA ALA A 73 -3.276 -11.515 0.346 1.00 0.00 C ATOM 1150 C ALA A 73 -2.117 -11.411 -0.635 1.00 0.00 C ATOM 1151 O ALA A 73 -1.986 -12.213 -1.562 1.00 0.00 O ATOM 1152 CB ALA A 73 -4.495 -10.776 -0.188 1.00 0.00 C ATOM 0 H ALA A 73 -3.273 -10.064 1.858 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.541 -12.565 0.467 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.776 -11.190 -1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.325 -10.891 0.510 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.259 -9.718 -0.300 1.00 0.00 H new ATOM 1158 N LEU A 74 -1.274 -10.416 -0.414 1.00 0.00 N ATOM 1159 CA LEU A 74 -0.098 -10.199 -1.238 1.00 0.00 C ATOM 1160 C LEU A 74 1.003 -11.163 -0.840 1.00 0.00 C ATOM 1161 O LEU A 74 1.714 -11.698 -1.692 1.00 0.00 O ATOM 1162 CB LEU A 74 0.385 -8.758 -1.087 1.00 0.00 C ATOM 1163 CG LEU A 74 -0.555 -7.708 -1.664 1.00 0.00 C ATOM 1164 CD1 LEU A 74 -0.042 -6.311 -1.364 1.00 0.00 C ATOM 1165 CD2 LEU A 74 -0.717 -7.913 -3.161 1.00 0.00 C ATOM 0 H LEU A 74 -1.386 -9.738 0.340 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.359 -10.377 -2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.535 -8.549 -0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.356 -8.662 -1.572 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.532 -7.818 -1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.727 -5.574 -1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.024 -6.172 -0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.946 -6.183 -1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.391 -7.156 -3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.255 -7.827 -3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.131 -8.904 -3.350 1.00 0.00 H new ATOM 1177 N ALA A 75 1.134 -11.374 0.460 1.00 0.00 N ATOM 1178 CA ALA A 75 2.122 -12.293 0.991 1.00 0.00 C ATOM 1179 C ALA A 75 1.745 -13.733 0.675 1.00 0.00 C ATOM 1180 O ALA A 75 2.623 -14.588 0.500 1.00 0.00 O ATOM 1181 CB ALA A 75 2.266 -12.100 2.493 1.00 0.00 C ATOM 0 H ALA A 75 0.562 -10.916 1.170 1.00 0.00 H new ATOM 0 HA ALA A 75 3.080 -12.080 0.516 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.011 -12.796 2.880 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.583 -11.078 2.700 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.308 -12.288 2.977 1.00 0.00 H new ATOM 1187 N GLU A 76 0.433 -13.988 0.618 1.00 0.00 N ATOM 1188 CA GLU A 76 -0.126 -15.317 0.346 1.00 0.00 C ATOM 1189 C GLU A 76 0.091 -16.245 1.541 1.00 0.00 C ATOM 1190 O GLU A 76 -0.850 -16.852 2.049 1.00 0.00 O ATOM 1191 CB GLU A 76 0.472 -15.909 -0.931 1.00 0.00 C ATOM 1192 CG GLU A 76 -0.255 -17.140 -1.437 1.00 0.00 C ATOM 1193 CD GLU A 76 0.301 -17.619 -2.756 1.00 0.00 C ATOM 1194 OE1 GLU A 76 0.186 -16.881 -3.755 1.00 0.00 O ATOM 1195 OE2 GLU A 76 0.876 -18.725 -2.799 1.00 0.00 O ATOM 0 H GLU A 76 -0.278 -13.270 0.761 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.200 -15.213 0.191 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.464 -15.148 -1.711 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.515 -16.165 -0.747 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.176 -17.938 -0.698 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.315 -16.915 -1.550 1.00 0.00 H new ATOM 1202 N HIS A 77 1.332 -16.341 1.980 1.00 0.00 N ATOM 1203 CA HIS A 77 1.674 -17.058 3.198 1.00 0.00 C ATOM 1204 C HIS A 77 1.543 -16.131 4.397 1.00 0.00 C ATOM 1205 O HIS A 77 2.474 -15.387 4.714 1.00 0.00 O ATOM 1206 CB HIS A 77 3.107 -17.590 3.134 1.00 0.00 C ATOM 1207 CG HIS A 77 3.246 -18.935 2.500 1.00 0.00 C ATOM 1208 ND1 HIS A 77 3.985 -19.948 3.062 1.00 0.00 N ATOM 1209 CD2 HIS A 77 2.763 -19.422 1.335 1.00 0.00 C ATOM 1210 CE1 HIS A 77 3.957 -21.002 2.269 1.00 0.00 C ATOM 1211 NE2 HIS A 77 3.220 -20.709 1.211 1.00 0.00 N ATOM 0 H HIS A 77 2.132 -15.925 1.504 1.00 0.00 H new ATOM 0 HA HIS A 77 0.988 -17.899 3.300 1.00 0.00 H new ATOM 0 HB2 HIS A 77 3.720 -16.878 2.581 1.00 0.00 H new ATOM 0 HB3 HIS A 77 3.508 -17.638 4.146 1.00 0.00 H new ATOM 0 HD1 HIS A 77 4.478 -19.894 3.953 1.00 0.00 H new ATOM 0 HD2 HIS A 77 2.134 -18.895 0.633 1.00 0.00 H new ATOM 0 HE1 HIS A 77 4.452 -21.944 2.453 1.00 0.00 H new ATOM 1220 N GLY A 78 0.383 -16.155 5.041 1.00 0.00 N ATOM 1221 CA GLY A 78 0.160 -15.335 6.220 1.00 0.00 C ATOM 1222 C GLY A 78 0.855 -15.899 7.442 1.00 0.00 C ATOM 1223 O GLY A 78 0.205 -16.283 8.415 1.00 0.00 O ATOM 0 H GLY A 78 -0.413 -16.731 4.767 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.521 -14.324 6.032 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.910 -15.261 6.413 1.00 0.00 H new ATOM 1227 N LYS A 79 2.178 -15.960 7.381 1.00 0.00 N ATOM 1228 CA LYS A 79 2.981 -16.506 8.464 1.00 0.00 C ATOM 1229 C LYS A 79 4.433 -16.087 8.292 1.00 0.00 C ATOM 1230 O LYS A 79 5.036 -15.497 9.188 1.00 0.00 O ATOM 1231 CB LYS A 79 2.890 -18.036 8.476 1.00 0.00 C ATOM 1232 CG LYS A 79 3.578 -18.679 9.672 1.00 0.00 C ATOM 1233 CD LYS A 79 3.661 -20.199 9.551 1.00 0.00 C ATOM 1234 CE LYS A 79 2.290 -20.868 9.575 1.00 0.00 C ATOM 1235 NZ LYS A 79 1.587 -20.780 8.264 1.00 0.00 N ATOM 0 H LYS A 79 2.722 -15.634 6.582 1.00 0.00 H new ATOM 0 HA LYS A 79 2.599 -16.120 9.409 1.00 0.00 H new ATOM 0 HB2 LYS A 79 1.840 -18.329 8.471 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.334 -18.425 7.560 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.584 -18.270 9.772 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.037 -18.419 10.582 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.171 -20.458 8.623 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.267 -20.592 10.368 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.406 -21.916 9.851 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.675 -20.401 10.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.769 -20.144 8.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.240 -20.409 7.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.261 -21.726 7.981 1.00 0.00 H new ATOM 1249 N ASP A 80 4.974 -16.395 7.121 1.00 0.00 N ATOM 1250 CA ASP A 80 6.371 -16.117 6.805 1.00 0.00 C ATOM 1251 C ASP A 80 6.613 -14.619 6.676 1.00 0.00 C ATOM 1252 O ASP A 80 7.222 -14.002 7.550 1.00 0.00 O ATOM 1253 CB ASP A 80 6.766 -16.819 5.498 1.00 0.00 C ATOM 1254 CG ASP A 80 6.459 -18.307 5.514 1.00 0.00 C ATOM 1255 OD1 ASP A 80 5.295 -18.681 5.250 1.00 0.00 O ATOM 1256 OD2 ASP A 80 7.377 -19.107 5.795 1.00 0.00 O ATOM 0 H ASP A 80 4.459 -16.844 6.364 1.00 0.00 H new ATOM 0 HA ASP A 80 6.985 -16.498 7.621 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.238 -16.352 4.666 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.832 -16.674 5.321 1.00 0.00 H new ATOM 1261 N ALA A 81 6.142 -14.050 5.567 1.00 0.00 N ATOM 1262 CA ALA A 81 6.214 -12.609 5.314 1.00 0.00 C ATOM 1263 C ALA A 81 7.654 -12.085 5.286 1.00 0.00 C ATOM 1264 O ALA A 81 7.881 -10.880 5.394 1.00 0.00 O ATOM 1265 CB ALA A 81 5.392 -11.849 6.348 1.00 0.00 C ATOM 0 H ALA A 81 5.698 -14.577 4.815 1.00 0.00 H new ATOM 0 HA ALA A 81 5.796 -12.439 4.322 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.455 -10.779 6.148 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.351 -12.168 6.292 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.781 -12.055 7.345 1.00 0.00 H new ATOM 1271 N LEU A 82 8.615 -12.978 5.097 1.00 0.00 N ATOM 1272 CA LEU A 82 10.022 -12.597 5.116 1.00 0.00 C ATOM 1273 C LEU A 82 10.471 -12.164 3.719 1.00 0.00 C ATOM 1274 O LEU A 82 11.121 -11.134 3.552 1.00 0.00 O ATOM 1275 CB LEU A 82 10.874 -13.772 5.633 1.00 0.00 C ATOM 1276 CG LEU A 82 12.307 -13.441 6.087 1.00 0.00 C ATOM 1277 CD1 LEU A 82 13.226 -13.192 4.901 1.00 0.00 C ATOM 1278 CD2 LEU A 82 12.308 -12.239 7.018 1.00 0.00 C ATOM 0 H LEU A 82 8.448 -13.970 4.929 1.00 0.00 H new ATOM 0 HA LEU A 82 10.157 -11.751 5.790 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.349 -14.230 6.471 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.932 -14.523 4.845 1.00 0.00 H new ATOM 0 HG LEU A 82 12.689 -14.307 6.628 1.00 0.00 H new ATOM 0 HD11 LEU A 82 14.229 -12.961 5.260 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.261 -14.083 4.274 1.00 0.00 H new ATOM 0 HD13 LEU A 82 12.848 -12.353 4.317 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.330 -12.020 7.328 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.894 -11.375 6.498 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.701 -12.459 7.896 1.00 0.00 H new ATOM 1290 N LYS A 83 10.102 -12.952 2.718 1.00 0.00 N ATOM 1291 CA LYS A 83 10.508 -12.690 1.338 1.00 0.00 C ATOM 1292 C LYS A 83 9.557 -11.694 0.669 1.00 0.00 C ATOM 1293 O LYS A 83 9.673 -11.407 -0.523 1.00 0.00 O ATOM 1294 CB LYS A 83 10.553 -14.006 0.544 1.00 0.00 C ATOM 1295 CG LYS A 83 11.300 -13.916 -0.780 1.00 0.00 C ATOM 1296 CD LYS A 83 12.747 -13.489 -0.572 1.00 0.00 C ATOM 1297 CE LYS A 83 13.533 -13.475 -1.876 1.00 0.00 C ATOM 1298 NZ LYS A 83 12.928 -12.573 -2.894 1.00 0.00 N ATOM 0 H LYS A 83 9.520 -13.782 2.834 1.00 0.00 H new ATOM 0 HA LYS A 83 11.505 -12.249 1.349 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.022 -14.773 1.161 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.532 -14.334 0.350 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.273 -14.883 -1.282 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.799 -13.203 -1.435 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.771 -12.495 -0.124 1.00 0.00 H new ATOM 0 HD3 LYS A 83 13.227 -14.168 0.133 1.00 0.00 H new ATOM 0 HE2 LYS A 83 14.557 -13.158 -1.677 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.585 -14.487 -2.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.568 -12.492 -3.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.016 -12.964 -3.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.777 -11.632 -2.478 1.00 0.00 H new ATOM 1312 N VAL A 84 8.630 -11.151 1.448 1.00 0.00 N ATOM 1313 CA VAL A 84 7.662 -10.195 0.926 1.00 0.00 C ATOM 1314 C VAL A 84 8.334 -8.855 0.650 1.00 0.00 C ATOM 1315 O VAL A 84 8.740 -8.153 1.576 1.00 0.00 O ATOM 1316 CB VAL A 84 6.475 -9.997 1.893 1.00 0.00 C ATOM 1317 CG1 VAL A 84 5.480 -8.980 1.341 1.00 0.00 C ATOM 1318 CG2 VAL A 84 5.790 -11.326 2.160 1.00 0.00 C ATOM 0 H VAL A 84 8.528 -11.356 2.442 1.00 0.00 H new ATOM 0 HA VAL A 84 7.272 -10.603 -0.007 1.00 0.00 H new ATOM 0 HB VAL A 84 6.862 -9.607 2.834 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.655 -8.861 2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.979 -8.021 1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.094 -9.331 0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.954 -11.174 2.843 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.421 -11.740 1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.503 -12.019 2.607 1.00 0.00 H new ATOM 1328 N THR A 85 8.444 -8.524 -0.630 1.00 0.00 N ATOM 1329 CA THR A 85 9.132 -7.323 -1.092 1.00 0.00 C ATOM 1330 C THR A 85 8.716 -6.064 -0.321 1.00 0.00 C ATOM 1331 O THR A 85 9.565 -5.343 0.200 1.00 0.00 O ATOM 1332 CB THR A 85 8.857 -7.123 -2.592 1.00 0.00 C ATOM 1333 OG1 THR A 85 9.150 -8.338 -3.292 1.00 0.00 O ATOM 1334 CG2 THR A 85 9.690 -5.988 -3.166 1.00 0.00 C ATOM 0 H THR A 85 8.054 -9.087 -1.386 1.00 0.00 H new ATOM 0 HA THR A 85 10.197 -7.471 -0.912 1.00 0.00 H new ATOM 0 HB THR A 85 7.806 -6.862 -2.715 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.974 -8.215 -4.248 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.470 -5.876 -4.228 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.450 -5.061 -2.645 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.749 -6.213 -3.037 1.00 0.00 H new ATOM 1342 N ALA A 86 7.415 -5.820 -0.231 1.00 0.00 N ATOM 1343 CA ALA A 86 6.901 -4.606 0.401 1.00 0.00 C ATOM 1344 C ALA A 86 7.192 -4.577 1.900 1.00 0.00 C ATOM 1345 O ALA A 86 7.395 -3.512 2.482 1.00 0.00 O ATOM 1346 CB ALA A 86 5.405 -4.481 0.153 1.00 0.00 C ATOM 0 H ALA A 86 6.693 -6.446 -0.588 1.00 0.00 H new ATOM 0 HA ALA A 86 7.415 -3.756 -0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.032 -3.574 0.628 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.217 -4.433 -0.920 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.893 -5.347 0.573 1.00 0.00 H new ATOM 1352 N LEU A 87 7.263 -5.750 2.505 1.00 0.00 N ATOM 1353 CA LEU A 87 7.350 -5.855 3.955 1.00 0.00 C ATOM 1354 C LEU A 87 8.807 -5.813 4.382 1.00 0.00 C ATOM 1355 O LEU A 87 9.178 -5.074 5.295 1.00 0.00 O ATOM 1356 CB LEU A 87 6.674 -7.152 4.432 1.00 0.00 C ATOM 1357 CG LEU A 87 6.240 -7.195 5.908 1.00 0.00 C ATOM 1358 CD1 LEU A 87 7.434 -7.283 6.844 1.00 0.00 C ATOM 1359 CD2 LEU A 87 5.393 -5.979 6.247 1.00 0.00 C ATOM 0 H LEU A 87 7.262 -6.645 2.016 1.00 0.00 H new ATOM 0 HA LEU A 87 6.829 -5.014 4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.795 -7.327 3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.360 -7.980 4.253 1.00 0.00 H new ATOM 0 HG LEU A 87 5.643 -8.096 6.049 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.086 -7.311 7.876 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.000 -8.189 6.627 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.074 -6.412 6.701 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.094 -6.024 7.294 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.973 -5.072 6.074 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.504 -5.967 5.616 1.00 0.00 H new ATOM 1371 N LYS A 88 9.629 -6.593 3.699 1.00 0.00 N ATOM 1372 CA LYS A 88 11.043 -6.659 4.011 1.00 0.00 C ATOM 1373 C LYS A 88 11.690 -5.297 3.812 1.00 0.00 C ATOM 1374 O LYS A 88 12.544 -4.887 4.596 1.00 0.00 O ATOM 1375 CB LYS A 88 11.747 -7.705 3.144 1.00 0.00 C ATOM 1376 CG LYS A 88 13.184 -7.959 3.564 1.00 0.00 C ATOM 1377 CD LYS A 88 13.888 -8.931 2.635 1.00 0.00 C ATOM 1378 CE LYS A 88 15.283 -9.254 3.145 1.00 0.00 C ATOM 1379 NZ LYS A 88 16.044 -10.111 2.203 1.00 0.00 N ATOM 0 H LYS A 88 9.339 -7.189 2.924 1.00 0.00 H new ATOM 0 HA LYS A 88 11.146 -6.954 5.055 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.190 -8.641 3.191 1.00 0.00 H new ATOM 0 HB3 LYS A 88 11.731 -7.377 2.105 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.729 -7.015 3.580 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.200 -8.354 4.580 1.00 0.00 H new ATOM 0 HD2 LYS A 88 13.305 -9.848 2.552 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.952 -8.503 1.635 1.00 0.00 H new ATOM 0 HE2 LYS A 88 15.830 -8.326 3.311 1.00 0.00 H new ATOM 0 HE3 LYS A 88 15.207 -9.756 4.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 16.988 -10.304 2.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 15.537 -11.008 2.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 16.141 -9.622 1.290 1.00 0.00 H new ATOM 1393 N LYS A 89 11.261 -4.589 2.771 1.00 0.00 N ATOM 1394 CA LYS A 89 11.805 -3.267 2.483 1.00 0.00 C ATOM 1395 C LYS A 89 11.346 -2.259 3.519 1.00 0.00 C ATOM 1396 O LYS A 89 12.141 -1.453 3.998 1.00 0.00 O ATOM 1397 CB LYS A 89 11.407 -2.795 1.084 1.00 0.00 C ATOM 1398 CG LYS A 89 12.090 -3.555 -0.040 1.00 0.00 C ATOM 1399 CD LYS A 89 11.667 -3.021 -1.397 1.00 0.00 C ATOM 1400 CE LYS A 89 12.299 -3.806 -2.535 1.00 0.00 C ATOM 1401 NZ LYS A 89 13.783 -3.704 -2.545 1.00 0.00 N ATOM 0 H LYS A 89 10.544 -4.906 2.118 1.00 0.00 H new ATOM 0 HA LYS A 89 12.892 -3.344 2.523 1.00 0.00 H new ATOM 0 HB2 LYS A 89 10.327 -2.893 0.972 1.00 0.00 H new ATOM 0 HB3 LYS A 89 11.643 -1.735 0.988 1.00 0.00 H new ATOM 0 HG2 LYS A 89 13.172 -3.472 0.066 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.843 -4.614 0.031 1.00 0.00 H new ATOM 0 HD2 LYS A 89 10.581 -3.067 -1.483 1.00 0.00 H new ATOM 0 HD3 LYS A 89 11.950 -1.971 -1.479 1.00 0.00 H new ATOM 0 HE2 LYS A 89 12.011 -4.854 -2.452 1.00 0.00 H new ATOM 0 HE3 LYS A 89 11.907 -3.442 -3.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 14.156 -4.156 -3.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 14.062 -2.702 -2.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 14.170 -4.182 -1.706 1.00 0.00 H new ATOM 1415 N TYR A 90 10.067 -2.318 3.878 1.00 0.00 N ATOM 1416 CA TYR A 90 9.516 -1.407 4.870 1.00 0.00 C ATOM 1417 C TYR A 90 10.247 -1.574 6.202 1.00 0.00 C ATOM 1418 O TYR A 90 10.656 -0.597 6.827 1.00 0.00 O ATOM 1419 CB TYR A 90 8.015 -1.656 5.049 1.00 0.00 C ATOM 1420 CG TYR A 90 7.300 -0.552 5.797 1.00 0.00 C ATOM 1421 CD1 TYR A 90 7.292 0.747 5.302 1.00 0.00 C ATOM 1422 CD2 TYR A 90 6.635 -0.806 6.988 1.00 0.00 C ATOM 1423 CE1 TYR A 90 6.644 1.761 5.976 1.00 0.00 C ATOM 1424 CE2 TYR A 90 5.979 0.205 7.667 1.00 0.00 C ATOM 1425 CZ TYR A 90 5.989 1.486 7.158 1.00 0.00 C ATOM 1426 OH TYR A 90 5.347 2.497 7.839 1.00 0.00 O ATOM 0 H TYR A 90 9.396 -2.986 3.497 1.00 0.00 H new ATOM 0 HA TYR A 90 9.656 -0.384 4.521 1.00 0.00 H new ATOM 0 HB2 TYR A 90 7.556 -1.774 4.068 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.873 -2.596 5.583 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.801 0.966 4.375 1.00 0.00 H new ATOM 0 HD2 TYR A 90 6.629 -1.808 7.391 1.00 0.00 H new ATOM 0 HE1 TYR A 90 6.650 2.766 5.580 1.00 0.00 H new ATOM 0 HE2 TYR A 90 5.462 -0.008 8.591 1.00 0.00 H new ATOM 0 HH TYR A 90 5.622 2.484 8.780 1.00 0.00 H new ATOM 1436 N ARG A 91 10.428 -2.820 6.618 1.00 0.00 N ATOM 1437 CA ARG A 91 11.111 -3.117 7.874 1.00 0.00 C ATOM 1438 C ARG A 91 12.595 -2.755 7.804 1.00 0.00 C ATOM 1439 O ARG A 91 13.124 -2.139 8.726 1.00 0.00 O ATOM 1440 CB ARG A 91 10.936 -4.597 8.237 1.00 0.00 C ATOM 1441 CG ARG A 91 11.877 -5.078 9.335 1.00 0.00 C ATOM 1442 CD ARG A 91 11.592 -6.516 9.736 1.00 0.00 C ATOM 1443 NE ARG A 91 12.730 -7.122 10.429 1.00 0.00 N ATOM 1444 CZ ARG A 91 12.756 -7.416 11.731 1.00 0.00 C ATOM 1445 NH1 ARG A 91 11.696 -7.183 12.498 1.00 0.00 N ATOM 1446 NH2 ARG A 91 13.846 -7.962 12.261 1.00 0.00 N ATOM 0 H ARG A 91 10.112 -3.643 6.105 1.00 0.00 H new ATOM 0 HA ARG A 91 10.658 -2.505 8.654 1.00 0.00 H new ATOM 0 HB2 ARG A 91 9.907 -4.764 8.555 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.096 -5.202 7.344 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.908 -4.994 8.992 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.778 -4.432 10.207 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.715 -6.546 10.382 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.354 -7.101 8.848 1.00 0.00 H new ATOM 0 HE ARG A 91 13.562 -7.335 9.878 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.853 -6.776 12.093 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.726 -7.411 13.492 1.00 0.00 H new ATOM 0 HH21 ARG A 91 14.657 -8.154 11.673 1.00 0.00 H new ATOM 0 HH22 ARG A 91 13.871 -8.189 13.255 1.00 0.00 H new ATOM 1460 N GLN A 92 13.258 -3.133 6.712 1.00 0.00 N ATOM 1461 CA GLN A 92 14.684 -2.854 6.546 1.00 0.00 C ATOM 1462 C GLN A 92 14.942 -1.352 6.548 1.00 0.00 C ATOM 1463 O GLN A 92 15.892 -0.868 7.169 1.00 0.00 O ATOM 1464 CB GLN A 92 15.204 -3.476 5.247 1.00 0.00 C ATOM 1465 CG GLN A 92 16.676 -3.207 4.981 1.00 0.00 C ATOM 1466 CD GLN A 92 17.170 -3.844 3.698 1.00 0.00 C ATOM 1467 OE1 GLN A 92 16.412 -4.029 2.743 1.00 0.00 O ATOM 1468 NE2 GLN A 92 18.444 -4.194 3.671 1.00 0.00 N ATOM 0 H GLN A 92 12.832 -3.632 5.931 1.00 0.00 H new ATOM 0 HA GLN A 92 15.218 -3.299 7.386 1.00 0.00 H new ATOM 0 HB2 GLN A 92 15.042 -4.553 5.281 1.00 0.00 H new ATOM 0 HB3 GLN A 92 14.618 -3.092 4.412 1.00 0.00 H new ATOM 0 HG2 GLN A 92 16.840 -2.131 4.933 1.00 0.00 H new ATOM 0 HG3 GLN A 92 17.266 -3.582 5.817 1.00 0.00 H new ATOM 0 HE21 GLN A 92 19.037 -4.023 4.483 1.00 0.00 H new ATOM 0 HE22 GLN A 92 18.834 -4.635 2.838 1.00 0.00 H new ATOM 1477 N LEU A 93 14.083 -0.616 5.856 1.00 0.00 N ATOM 1478 CA LEU A 93 14.197 0.829 5.787 1.00 0.00 C ATOM 1479 C LEU A 93 14.002 1.456 7.167 1.00 0.00 C ATOM 1480 O LEU A 93 14.791 2.304 7.584 1.00 0.00 O ATOM 1481 CB LEU A 93 13.180 1.390 4.790 1.00 0.00 C ATOM 1482 CG LEU A 93 13.112 2.917 4.706 1.00 0.00 C ATOM 1483 CD1 LEU A 93 14.422 3.486 4.179 1.00 0.00 C ATOM 1484 CD2 LEU A 93 11.955 3.346 3.821 1.00 0.00 C ATOM 0 H LEU A 93 13.297 -1.001 5.333 1.00 0.00 H new ATOM 0 HA LEU A 93 15.200 1.081 5.442 1.00 0.00 H new ATOM 0 HB2 LEU A 93 13.415 0.999 3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.192 1.014 5.055 1.00 0.00 H new ATOM 0 HG LEU A 93 12.948 3.309 5.710 1.00 0.00 H new ATOM 0 HD11 LEU A 93 14.352 4.573 4.127 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.236 3.206 4.848 1.00 0.00 H new ATOM 0 HD13 LEU A 93 14.618 3.087 3.184 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.919 4.434 3.771 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.094 2.941 2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.020 2.971 4.237 1.00 0.00 H new