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 Set 1.1: A 52 THR OG1 : rot 73:sc= 1.31 USER MOD Set 1.2: A 90 TYR OH : rot 180:sc= 1.35 USER MOD Single : A 12 SER OG : rot 180:sc= -0.3 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= -0.0216 USER MOD Single : A 21 MET CE :methyl -179:sc= -1.37 (180deg=-1.42) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.266 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 31 THR OG1 : rot 137:sc= -2.69! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -171:sc=-0.00278 (180deg=-0.0842) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 166:sc= 1.23 (180deg=1.08) USER MOD Single : A 58 GLN : amide:sc= -1.38! K(o=-1.4!,f=-0.1) USER MOD Single : A 59 THR OG1 : rot 80:sc=0.000913 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 114:sc= -0.556 USER MOD Single : A 68 ASN : amide:sc=-0.000465 K(o=-0.00046,f=-2.3!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -82:sc= 0.391 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -169:sc= -0.0256 (180deg=-0.208) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.00964 USER MOD Single : A 88 LYS NZ :NH3+ 167:sc= -0.0343 (180deg=-0.258) USER MOD Single : A 89 LYS NZ :NH3+ 162:sc= -0.0565 (180deg=-0.325) USER MOD Single : A 92 GLN : amide:sc= -2.46! K(o=-2.5!,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 174 N ARG A 11 5.713 11.481 -9.163 1.00 0.00 N ATOM 175 CA ARG A 11 5.813 10.535 -8.061 1.00 0.00 C ATOM 176 C ARG A 11 5.213 9.207 -8.486 1.00 0.00 C ATOM 177 O ARG A 11 4.870 8.364 -7.661 1.00 0.00 O ATOM 178 CB ARG A 11 5.094 11.080 -6.823 1.00 0.00 C ATOM 179 CG ARG A 11 5.706 12.362 -6.287 1.00 0.00 C ATOM 180 CD ARG A 11 7.128 12.136 -5.800 1.00 0.00 C ATOM 181 NE ARG A 11 7.792 13.391 -5.463 1.00 0.00 N ATOM 182 CZ ARG A 11 8.607 13.551 -4.422 1.00 0.00 C ATOM 183 NH1 ARG A 11 8.862 12.534 -3.609 1.00 0.00 N ATOM 184 NH2 ARG A 11 9.170 14.734 -4.203 1.00 0.00 N ATOM 0 HA ARG A 11 6.862 10.388 -7.804 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.048 11.261 -7.070 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.111 10.323 -6.039 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.704 13.122 -7.068 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.096 12.744 -5.469 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.113 11.486 -4.925 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.698 11.619 -6.572 1.00 0.00 H new ATOM 0 HE ARG A 11 7.621 14.198 -6.063 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.433 11.624 -3.780 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.487 12.662 -2.813 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.977 15.515 -4.831 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.795 14.862 -3.407 1.00 0.00 H new ATOM 198 N SER A 12 5.099 9.042 -9.792 1.00 0.00 N ATOM 199 CA SER A 12 4.517 7.855 -10.380 1.00 0.00 C ATOM 200 C SER A 12 5.433 6.651 -10.183 1.00 0.00 C ATOM 201 O SER A 12 6.463 6.520 -10.848 1.00 0.00 O ATOM 202 CB SER A 12 4.284 8.097 -11.867 1.00 0.00 C ATOM 203 OG SER A 12 3.936 9.455 -12.102 1.00 0.00 O ATOM 0 H SER A 12 5.410 9.733 -10.475 1.00 0.00 H new ATOM 0 HA SER A 12 3.568 7.643 -9.889 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.184 7.844 -12.428 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.489 7.444 -12.228 1.00 0.00 H new ATOM 0 HG SER A 12 3.791 9.594 -13.061 1.00 0.00 H new ATOM 209 N VAL A 13 5.063 5.791 -9.254 1.00 0.00 N ATOM 210 CA VAL A 13 5.844 4.598 -8.969 1.00 0.00 C ATOM 211 C VAL A 13 5.368 3.432 -9.825 1.00 0.00 C ATOM 212 O VAL A 13 4.180 3.095 -9.838 1.00 0.00 O ATOM 213 CB VAL A 13 5.791 4.213 -7.470 1.00 0.00 C ATOM 214 CG1 VAL A 13 6.553 5.232 -6.637 1.00 0.00 C ATOM 215 CG2 VAL A 13 4.351 4.098 -6.979 1.00 0.00 C ATOM 0 H VAL A 13 4.225 5.895 -8.682 1.00 0.00 H new ATOM 0 HA VAL A 13 6.881 4.826 -9.215 1.00 0.00 H new ATOM 0 HB VAL A 13 6.264 3.237 -7.356 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.508 4.949 -5.585 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.594 5.261 -6.960 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.105 6.217 -6.767 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.347 3.827 -5.923 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.845 5.054 -7.110 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.831 3.331 -7.553 1.00 0.00 H new ATOM 225 N THR A 14 6.289 2.847 -10.577 1.00 0.00 N ATOM 226 CA THR A 14 5.968 1.704 -11.412 1.00 0.00 C ATOM 227 C THR A 14 5.836 0.444 -10.568 1.00 0.00 C ATOM 228 O THR A 14 6.823 -0.083 -10.054 1.00 0.00 O ATOM 229 CB THR A 14 7.034 1.465 -12.505 1.00 0.00 C ATOM 230 OG1 THR A 14 7.244 2.668 -13.261 1.00 0.00 O ATOM 231 CG2 THR A 14 6.602 0.335 -13.439 1.00 0.00 C ATOM 0 H THR A 14 7.263 3.146 -10.625 1.00 0.00 H new ATOM 0 HA THR A 14 5.019 1.928 -11.898 1.00 0.00 H new ATOM 0 HB THR A 14 7.967 1.179 -12.019 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.922 2.507 -13.950 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.365 0.182 -14.202 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.473 -0.582 -12.865 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.659 0.599 -13.917 1.00 0.00 H new ATOM 239 N LEU A 15 4.609 -0.018 -10.412 1.00 0.00 N ATOM 240 CA LEU A 15 4.354 -1.262 -9.723 1.00 0.00 C ATOM 241 C LEU A 15 4.694 -2.415 -10.648 1.00 0.00 C ATOM 242 O LEU A 15 4.430 -2.345 -11.850 1.00 0.00 O ATOM 243 CB LEU A 15 2.890 -1.350 -9.286 1.00 0.00 C ATOM 244 CG LEU A 15 2.378 -0.165 -8.465 1.00 0.00 C ATOM 245 CD1 LEU A 15 0.960 -0.434 -7.990 1.00 0.00 C ATOM 246 CD2 LEU A 15 3.299 0.116 -7.286 1.00 0.00 C ATOM 0 H LEU A 15 3.773 0.454 -10.756 1.00 0.00 H new ATOM 0 HA LEU A 15 4.975 -1.310 -8.828 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.268 -1.449 -10.176 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.757 -2.260 -8.701 1.00 0.00 H new ATOM 0 HG LEU A 15 2.371 0.721 -9.101 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.604 0.415 -7.407 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.309 -0.580 -8.852 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.948 -1.331 -7.370 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.914 0.963 -6.717 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.345 -0.763 -6.643 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.299 0.349 -7.653 1.00 0.00 H new ATOM 258 N PRO A 16 5.285 -3.487 -10.108 1.00 0.00 N ATOM 259 CA PRO A 16 5.662 -4.669 -10.892 1.00 0.00 C ATOM 260 C PRO A 16 4.458 -5.346 -11.548 1.00 0.00 C ATOM 261 O PRO A 16 4.611 -6.247 -12.371 1.00 0.00 O ATOM 262 CB PRO A 16 6.300 -5.599 -9.860 1.00 0.00 C ATOM 263 CG PRO A 16 6.685 -4.716 -8.724 1.00 0.00 C ATOM 264 CD PRO A 16 5.653 -3.627 -8.691 1.00 0.00 C ATOM 0 HA PRO A 16 6.325 -4.409 -11.717 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.600 -6.371 -9.539 1.00 0.00 H new ATOM 0 HB3 PRO A 16 7.169 -6.110 -10.274 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.701 -5.270 -7.785 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.684 -4.305 -8.868 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.796 -3.900 -8.075 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.056 -2.700 -8.284 1.00 0.00 H new ATOM 272 N ASP A 17 3.261 -4.901 -11.176 1.00 0.00 N ATOM 273 CA ASP A 17 2.028 -5.408 -11.767 1.00 0.00 C ATOM 274 C ASP A 17 1.834 -4.809 -13.156 1.00 0.00 C ATOM 275 O ASP A 17 1.067 -5.323 -13.969 1.00 0.00 O ATOM 276 CB ASP A 17 0.816 -5.068 -10.885 1.00 0.00 C ATOM 277 CG ASP A 17 1.006 -5.474 -9.437 1.00 0.00 C ATOM 278 OD1 ASP A 17 0.760 -6.654 -9.093 1.00 0.00 O ATOM 279 OD2 ASP A 17 1.408 -4.615 -8.630 1.00 0.00 O ATOM 0 H ASP A 17 3.119 -4.185 -10.463 1.00 0.00 H new ATOM 0 HA ASP A 17 2.107 -6.492 -11.844 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.627 -3.996 -10.934 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.068 -5.566 -11.284 1.00 0.00 H new ATOM 284 N GLY A 18 2.555 -3.726 -13.419 1.00 0.00 N ATOM 285 CA GLY A 18 2.462 -3.057 -14.699 1.00 0.00 C ATOM 286 C GLY A 18 1.544 -1.854 -14.653 1.00 0.00 C ATOM 287 O GLY A 18 0.685 -1.679 -15.518 1.00 0.00 O ATOM 0 H GLY A 18 3.207 -3.298 -12.762 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.456 -2.741 -15.014 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.099 -3.760 -15.448 1.00 0.00 H new ATOM 291 N SER A 19 1.718 -1.029 -13.635 1.00 0.00 N ATOM 292 CA SER A 19 0.930 0.185 -13.479 1.00 0.00 C ATOM 293 C SER A 19 1.729 1.228 -12.711 1.00 0.00 C ATOM 294 O SER A 19 2.511 0.886 -11.826 1.00 0.00 O ATOM 295 CB SER A 19 -0.377 -0.123 -12.740 1.00 0.00 C ATOM 296 OG SER A 19 -1.159 -1.073 -13.449 1.00 0.00 O ATOM 0 H SER A 19 2.405 -1.179 -12.896 1.00 0.00 H new ATOM 0 HA SER A 19 0.690 0.578 -14.467 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.153 -0.504 -11.744 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.948 0.796 -12.609 1.00 0.00 H new ATOM 0 HG SER A 19 -1.986 -1.251 -12.954 1.00 0.00 H new ATOM 302 N ILE A 20 1.545 2.492 -13.050 1.00 0.00 N ATOM 303 CA ILE A 20 2.229 3.562 -12.349 1.00 0.00 C ATOM 304 C ILE A 20 1.252 4.320 -11.456 1.00 0.00 C ATOM 305 O ILE A 20 0.282 4.914 -11.931 1.00 0.00 O ATOM 306 CB ILE A 20 2.934 4.544 -13.313 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.959 5.080 -14.370 1.00 0.00 C ATOM 308 CG2 ILE A 20 4.123 3.865 -13.976 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.553 6.151 -15.262 1.00 0.00 C ATOM 0 H ILE A 20 0.930 2.801 -13.803 1.00 0.00 H new ATOM 0 HA ILE A 20 3.001 3.098 -11.736 1.00 0.00 H new ATOM 0 HB ILE A 20 3.293 5.393 -12.732 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.619 4.251 -14.991 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.080 5.484 -13.868 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.612 4.566 -14.653 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.831 3.544 -13.212 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.779 2.997 -14.539 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.805 6.480 -15.983 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.868 6.998 -14.653 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.415 5.746 -15.793 1.00 0.00 H new ATOM 321 N MET A 21 1.501 4.278 -10.160 1.00 0.00 N ATOM 322 CA MET A 21 0.626 4.937 -9.208 1.00 0.00 C ATOM 323 C MET A 21 1.128 6.328 -8.894 1.00 0.00 C ATOM 324 O MET A 21 2.319 6.538 -8.669 1.00 0.00 O ATOM 325 CB MET A 21 0.494 4.127 -7.920 1.00 0.00 C ATOM 326 CG MET A 21 -0.319 2.860 -8.093 1.00 0.00 C ATOM 327 SD MET A 21 -1.997 3.180 -8.661 1.00 0.00 S ATOM 328 CE MET A 21 -2.658 4.084 -7.265 1.00 0.00 C ATOM 0 H MET A 21 2.298 3.797 -9.744 1.00 0.00 H new ATOM 0 HA MET A 21 -0.360 5.012 -9.667 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.489 3.866 -7.559 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.029 4.748 -7.154 1.00 0.00 H new ATOM 0 HG2 MET A 21 0.183 2.206 -8.807 1.00 0.00 H new ATOM 0 HG3 MET A 21 -0.357 2.326 -7.144 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.700 4.339 -7.457 1.00 0.00 H new ATOM 0 HE2 MET A 21 -2.595 3.467 -6.369 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.082 4.998 -7.118 1.00 0.00 H new ATOM 338 N THR A 22 0.210 7.270 -8.891 1.00 0.00 N ATOM 339 CA THR A 22 0.526 8.647 -8.584 1.00 0.00 C ATOM 340 C THR A 22 -0.187 9.051 -7.305 1.00 0.00 C ATOM 341 O THR A 22 -1.007 8.295 -6.782 1.00 0.00 O ATOM 342 CB THR A 22 0.094 9.588 -9.723 1.00 0.00 C ATOM 343 OG1 THR A 22 -1.312 9.445 -9.966 1.00 0.00 O ATOM 344 CG2 THR A 22 0.869 9.293 -10.997 1.00 0.00 C ATOM 0 H THR A 22 -0.774 7.103 -9.101 1.00 0.00 H new ATOM 0 HA THR A 22 1.606 8.731 -8.461 1.00 0.00 H new ATOM 0 HB THR A 22 0.309 10.613 -9.420 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.582 10.047 -10.690 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.544 9.972 -11.786 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.935 9.431 -10.815 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.684 8.264 -11.305 1.00 0.00 H new ATOM 352 N ARG A 23 0.100 10.248 -6.814 1.00 0.00 N ATOM 353 CA ARG A 23 -0.552 10.745 -5.613 1.00 0.00 C ATOM 354 C ARG A 23 -2.038 10.989 -5.881 1.00 0.00 C ATOM 355 O ARG A 23 -2.874 10.871 -4.986 1.00 0.00 O ATOM 356 CB ARG A 23 0.132 12.030 -5.134 1.00 0.00 C ATOM 357 CG ARG A 23 -0.573 12.698 -3.965 1.00 0.00 C ATOM 358 CD ARG A 23 0.140 13.962 -3.509 1.00 0.00 C ATOM 359 NE ARG A 23 0.446 14.884 -4.614 1.00 0.00 N ATOM 360 CZ ARG A 23 -0.467 15.499 -5.377 1.00 0.00 C ATOM 361 NH1 ARG A 23 -1.766 15.267 -5.204 1.00 0.00 N ATOM 362 NH2 ARG A 23 -0.071 16.344 -6.325 1.00 0.00 N ATOM 0 H ARG A 23 0.777 10.890 -7.227 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.464 9.995 -4.827 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.157 11.799 -4.845 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.186 12.734 -5.965 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.596 12.943 -4.252 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.635 11.998 -3.132 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.480 14.477 -2.775 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.067 13.687 -3.006 1.00 0.00 H new ATOM 0 HE ARG A 23 1.429 15.069 -4.814 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.076 14.615 -4.484 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.452 15.742 -5.792 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.923 16.521 -6.468 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.762 16.815 -6.909 1.00 0.00 H new ATOM 376 N ALA A 24 -2.358 11.298 -7.131 1.00 0.00 N ATOM 377 CA ALA A 24 -3.731 11.564 -7.528 1.00 0.00 C ATOM 378 C ALA A 24 -4.496 10.269 -7.790 1.00 0.00 C ATOM 379 O ALA A 24 -5.703 10.198 -7.567 1.00 0.00 O ATOM 380 CB ALA A 24 -3.751 12.450 -8.762 1.00 0.00 C ATOM 0 H ALA A 24 -1.680 11.370 -7.890 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.228 12.081 -6.707 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.783 12.645 -9.053 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.252 13.394 -8.541 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.232 11.948 -9.579 1.00 0.00 H new ATOM 386 N ASP A 25 -3.787 9.245 -8.259 1.00 0.00 N ATOM 387 CA ASP A 25 -4.421 7.970 -8.590 1.00 0.00 C ATOM 388 C ASP A 25 -4.823 7.222 -7.323 1.00 0.00 C ATOM 389 O ASP A 25 -5.802 6.474 -7.319 1.00 0.00 O ATOM 390 CB ASP A 25 -3.485 7.095 -9.431 1.00 0.00 C ATOM 391 CG ASP A 25 -4.237 6.060 -10.250 1.00 0.00 C ATOM 392 OD1 ASP A 25 -4.780 5.100 -9.668 1.00 0.00 O ATOM 393 OD2 ASP A 25 -4.289 6.212 -11.492 1.00 0.00 O ATOM 0 H ASP A 25 -2.780 9.272 -8.418 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.316 8.187 -9.173 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.903 7.729 -10.099 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.777 6.590 -8.774 1.00 0.00 H new ATOM 398 N LEU A 26 -4.057 7.430 -6.255 1.00 0.00 N ATOM 399 CA LEU A 26 -4.321 6.787 -4.972 1.00 0.00 C ATOM 400 C LEU A 26 -5.732 7.095 -4.477 1.00 0.00 C ATOM 401 O LEU A 26 -6.140 8.259 -4.446 1.00 0.00 O ATOM 402 CB LEU A 26 -3.302 7.252 -3.926 1.00 0.00 C ATOM 403 CG LEU A 26 -1.865 6.773 -4.147 1.00 0.00 C ATOM 404 CD1 LEU A 26 -0.925 7.434 -3.150 1.00 0.00 C ATOM 405 CD2 LEU A 26 -1.787 5.258 -4.029 1.00 0.00 C ATOM 0 H LEU A 26 -3.242 8.044 -6.254 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.232 5.710 -5.117 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.304 8.342 -3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.633 6.911 -2.945 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.556 7.058 -5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.092 7.082 -3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.961 8.516 -3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.232 7.178 -2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.759 4.933 -4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.114 4.953 -3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.433 4.801 -4.779 1.00 0.00 H new ATOM 417 N PRO A 27 -6.498 6.045 -4.115 1.00 0.00 N ATOM 418 CA PRO A 27 -7.817 6.191 -3.482 1.00 0.00 C ATOM 419 C PRO A 27 -7.773 7.173 -2.317 1.00 0.00 C ATOM 420 O PRO A 27 -7.163 6.887 -1.292 1.00 0.00 O ATOM 421 CB PRO A 27 -8.102 4.777 -2.978 1.00 0.00 C ATOM 422 CG PRO A 27 -7.414 3.904 -3.960 1.00 0.00 C ATOM 423 CD PRO A 27 -6.139 4.626 -4.302 1.00 0.00 C ATOM 0 HA PRO A 27 -8.575 6.581 -4.162 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.716 4.627 -1.970 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.172 4.573 -2.943 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.209 2.921 -3.537 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.028 3.748 -4.847 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.319 4.328 -3.648 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.822 4.422 -5.325 1.00 0.00 H new ATOM 431 N PRO A 28 -8.407 8.348 -2.471 1.00 0.00 N ATOM 432 CA PRO A 28 -8.320 9.441 -1.491 1.00 0.00 C ATOM 433 C PRO A 28 -8.677 9.000 -0.075 1.00 0.00 C ATOM 434 O PRO A 28 -7.951 9.295 0.878 1.00 0.00 O ATOM 435 CB PRO A 28 -9.337 10.463 -2.007 1.00 0.00 C ATOM 436 CG PRO A 28 -9.441 10.189 -3.466 1.00 0.00 C ATOM 437 CD PRO A 28 -9.261 8.706 -3.620 1.00 0.00 C ATOM 0 HA PRO A 28 -7.304 9.828 -1.411 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.301 10.346 -1.512 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.003 11.483 -1.819 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.408 10.508 -3.855 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.678 10.735 -4.021 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.215 8.180 -3.592 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.786 8.454 -4.568 1.00 0.00 H new ATOM 445 N ALA A 29 -9.794 8.293 0.045 1.00 0.00 N ATOM 446 CA ALA A 29 -10.277 7.799 1.331 1.00 0.00 C ATOM 447 C ALA A 29 -11.557 7.001 1.138 1.00 0.00 C ATOM 448 O ALA A 29 -11.745 5.942 1.733 1.00 0.00 O ATOM 449 CB ALA A 29 -10.529 8.951 2.299 1.00 0.00 C ATOM 0 H ALA A 29 -10.391 8.046 -0.744 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.509 7.153 1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.888 8.556 3.249 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.601 9.499 2.461 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.278 9.622 1.879 1.00 0.00 H new ATOM 455 N ASN A 30 -12.428 7.521 0.284 1.00 0.00 N ATOM 456 CA ASN A 30 -13.724 6.911 0.045 1.00 0.00 C ATOM 457 C ASN A 30 -13.635 5.975 -1.149 1.00 0.00 C ATOM 458 O ASN A 30 -13.919 4.783 -1.029 1.00 0.00 O ATOM 459 CB ASN A 30 -14.781 7.991 -0.215 1.00 0.00 C ATOM 460 CG ASN A 30 -14.584 9.218 0.657 1.00 0.00 C ATOM 461 OD1 ASN A 30 -13.873 10.148 0.275 1.00 0.00 O ATOM 462 ND2 ASN A 30 -15.204 9.232 1.823 1.00 0.00 N ATOM 0 H ASN A 30 -12.257 8.369 -0.257 1.00 0.00 H new ATOM 0 HA ASN A 30 -14.016 6.343 0.928 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.745 8.285 -1.264 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -15.772 7.576 -0.034 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -15.103 10.034 2.445 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -15.784 8.441 2.102 1.00 0.00 H new ATOM 469 N THR A 31 -13.216 6.532 -2.291 1.00 0.00 N ATOM 470 CA THR A 31 -13.062 5.776 -3.536 1.00 0.00 C ATOM 471 C THR A 31 -14.422 5.344 -4.088 1.00 0.00 C ATOM 472 O THR A 31 -15.305 4.921 -3.344 1.00 0.00 O ATOM 473 CB THR A 31 -12.156 4.553 -3.323 1.00 0.00 C ATOM 474 OG1 THR A 31 -10.994 4.955 -2.597 1.00 0.00 O ATOM 475 CG2 THR A 31 -11.734 3.933 -4.644 1.00 0.00 C ATOM 0 H THR A 31 -12.975 7.519 -2.377 1.00 0.00 H new ATOM 0 HA THR A 31 -12.590 6.431 -4.268 1.00 0.00 H new ATOM 0 HB THR A 31 -12.718 3.805 -2.764 1.00 0.00 H new ATOM 0 HG1 THR A 31 -10.789 4.286 -1.911 1.00 0.00 H new ATOM 0 HG21 THR A 31 -11.094 3.071 -4.454 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.619 3.614 -5.195 1.00 0.00 H new ATOM 0 HG23 THR A 31 -11.186 4.669 -5.233 1.00 0.00 H new ATOM 483 N ARG A 32 -14.597 5.466 -5.393 1.00 0.00 N ATOM 484 CA ARG A 32 -15.883 5.176 -6.009 1.00 0.00 C ATOM 485 C ARG A 32 -15.995 3.699 -6.370 1.00 0.00 C ATOM 486 O ARG A 32 -17.079 3.119 -6.330 1.00 0.00 O ATOM 487 CB ARG A 32 -16.079 6.051 -7.247 1.00 0.00 C ATOM 488 CG ARG A 32 -17.439 5.894 -7.904 1.00 0.00 C ATOM 489 CD ARG A 32 -17.761 7.078 -8.801 1.00 0.00 C ATOM 490 NE ARG A 32 -16.759 7.274 -9.849 1.00 0.00 N ATOM 491 CZ ARG A 32 -15.960 8.343 -9.923 1.00 0.00 C ATOM 492 NH1 ARG A 32 -15.936 9.236 -8.939 1.00 0.00 N ATOM 493 NH2 ARG A 32 -15.165 8.503 -10.971 1.00 0.00 N ATOM 0 H ARG A 32 -13.870 5.762 -6.044 1.00 0.00 H new ATOM 0 HA ARG A 32 -16.670 5.403 -5.290 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -15.940 7.095 -6.967 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.305 5.811 -7.976 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -17.458 4.975 -8.491 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -18.207 5.798 -7.136 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -18.738 6.927 -9.260 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -17.830 7.981 -8.195 1.00 0.00 H new ATOM 0 HE ARG A 32 -16.665 6.553 -10.565 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -16.530 9.108 -8.120 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -15.323 10.049 -9.003 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -15.163 7.811 -11.720 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.555 9.318 -11.029 1.00 0.00 H new ATOM 507 N ARG A 33 -14.869 3.091 -6.717 1.00 0.00 N ATOM 508 CA ARG A 33 -14.863 1.682 -7.070 1.00 0.00 C ATOM 509 C ARG A 33 -13.648 0.972 -6.476 1.00 0.00 C ATOM 510 O ARG A 33 -12.501 1.239 -6.842 1.00 0.00 O ATOM 511 CB ARG A 33 -14.923 1.507 -8.595 1.00 0.00 C ATOM 512 CG ARG A 33 -13.717 2.048 -9.348 1.00 0.00 C ATOM 513 CD ARG A 33 -13.925 1.998 -10.855 1.00 0.00 C ATOM 514 NE ARG A 33 -14.360 0.678 -11.319 1.00 0.00 N ATOM 515 CZ ARG A 33 -14.119 0.194 -12.538 1.00 0.00 C ATOM 516 NH1 ARG A 33 -13.401 0.897 -13.406 1.00 0.00 N ATOM 517 NH2 ARG A 33 -14.601 -0.991 -12.886 1.00 0.00 N ATOM 0 H ARG A 33 -13.958 3.547 -6.761 1.00 0.00 H new ATOM 0 HA ARG A 33 -15.753 1.219 -6.643 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.028 0.446 -8.821 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -15.819 2.003 -8.968 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.528 3.077 -9.041 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.833 1.468 -9.083 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.668 2.743 -11.141 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.995 2.267 -11.356 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.881 0.091 -10.667 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.032 1.810 -13.141 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.219 0.524 -14.338 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -15.155 -1.531 -12.222 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.418 -1.362 -13.818 1.00 0.00 H new ATOM 531 N TRP A 34 -13.907 0.087 -5.529 1.00 0.00 N ATOM 532 CA TRP A 34 -12.860 -0.721 -4.925 1.00 0.00 C ATOM 533 C TRP A 34 -12.766 -2.073 -5.621 1.00 0.00 C ATOM 534 O TRP A 34 -13.436 -3.030 -5.236 1.00 0.00 O ATOM 535 CB TRP A 34 -13.118 -0.937 -3.433 1.00 0.00 C ATOM 536 CG TRP A 34 -12.837 0.265 -2.588 1.00 0.00 C ATOM 537 CD1 TRP A 34 -13.725 1.223 -2.199 1.00 0.00 C ATOM 538 CD2 TRP A 34 -11.578 0.627 -2.016 1.00 0.00 C ATOM 539 NE1 TRP A 34 -13.093 2.159 -1.421 1.00 0.00 N ATOM 540 CE2 TRP A 34 -11.775 1.816 -1.292 1.00 0.00 C ATOM 541 CE3 TRP A 34 -10.301 0.060 -2.045 1.00 0.00 C ATOM 542 CZ2 TRP A 34 -10.745 2.450 -0.605 1.00 0.00 C ATOM 543 CZ3 TRP A 34 -9.280 0.689 -1.362 1.00 0.00 C ATOM 544 CH2 TRP A 34 -9.506 1.872 -0.648 1.00 0.00 C ATOM 0 H TRP A 34 -14.841 -0.092 -5.159 1.00 0.00 H new ATOM 0 HA TRP A 34 -11.919 -0.183 -5.042 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -14.158 -1.232 -3.293 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -12.502 -1.766 -3.084 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -14.772 1.242 -2.464 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -13.535 2.979 -1.005 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -10.117 -0.853 -2.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -10.917 3.365 -0.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -8.289 0.261 -1.379 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -8.686 2.337 -0.121 1.00 0.00 H new ATOM 555 N VAL A 35 -11.964 -2.135 -6.671 1.00 0.00 N ATOM 556 CA VAL A 35 -11.724 -3.392 -7.366 1.00 0.00 C ATOM 557 C VAL A 35 -10.464 -4.056 -6.818 1.00 0.00 C ATOM 558 O VAL A 35 -9.732 -3.450 -6.032 1.00 0.00 O ATOM 559 CB VAL A 35 -11.598 -3.191 -8.896 1.00 0.00 C ATOM 560 CG1 VAL A 35 -12.880 -2.598 -9.467 1.00 0.00 C ATOM 561 CG2 VAL A 35 -10.409 -2.306 -9.239 1.00 0.00 C ATOM 0 H VAL A 35 -11.469 -1.333 -7.061 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.584 -4.038 -7.190 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.434 -4.169 -9.347 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.771 -2.464 -10.543 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.713 -3.272 -9.267 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.074 -1.633 -8.999 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.347 -2.183 -10.320 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.534 -1.330 -8.770 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.493 -2.770 -8.873 1.00 0.00 H new ATOM 571 N ALA A 36 -10.209 -5.290 -7.229 1.00 0.00 N ATOM 572 CA ALA A 36 -9.058 -6.039 -6.729 1.00 0.00 C ATOM 573 C ALA A 36 -7.752 -5.319 -7.054 1.00 0.00 C ATOM 574 O ALA A 36 -6.874 -5.189 -6.201 1.00 0.00 O ATOM 575 CB ALA A 36 -9.054 -7.446 -7.305 1.00 0.00 C ATOM 0 H ALA A 36 -10.780 -5.796 -7.906 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.140 -6.107 -5.644 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.191 -7.993 -6.924 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.969 -7.962 -7.012 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.999 -7.394 -8.392 1.00 0.00 H new ATOM 581 N SER A 37 -7.640 -4.827 -8.281 1.00 0.00 N ATOM 582 CA SER A 37 -6.457 -4.090 -8.705 1.00 0.00 C ATOM 583 C SER A 37 -6.345 -2.763 -7.951 1.00 0.00 C ATOM 584 O SER A 37 -5.259 -2.204 -7.813 1.00 0.00 O ATOM 585 CB SER A 37 -6.513 -3.846 -10.214 1.00 0.00 C ATOM 586 OG SER A 37 -6.757 -5.059 -10.911 1.00 0.00 O ATOM 0 H SER A 37 -8.356 -4.925 -9.001 1.00 0.00 H new ATOM 0 HA SER A 37 -5.573 -4.684 -8.474 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.299 -3.126 -10.442 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.573 -3.410 -10.552 1.00 0.00 H new ATOM 0 HG SER A 37 -6.791 -4.882 -11.874 1.00 0.00 H new ATOM 592 N ARG A 38 -7.473 -2.274 -7.444 1.00 0.00 N ATOM 593 CA ARG A 38 -7.493 -1.040 -6.669 1.00 0.00 C ATOM 594 C ARG A 38 -6.900 -1.299 -5.291 1.00 0.00 C ATOM 595 O ARG A 38 -6.130 -0.492 -4.780 1.00 0.00 O ATOM 596 CB ARG A 38 -8.926 -0.510 -6.529 1.00 0.00 C ATOM 597 CG ARG A 38 -9.032 0.845 -5.840 1.00 0.00 C ATOM 598 CD ARG A 38 -8.890 2.000 -6.824 1.00 0.00 C ATOM 599 NE ARG A 38 -7.637 1.949 -7.582 1.00 0.00 N ATOM 600 CZ ARG A 38 -6.895 3.016 -7.873 1.00 0.00 C ATOM 601 NH1 ARG A 38 -7.245 4.217 -7.424 1.00 0.00 N ATOM 602 NH2 ARG A 38 -5.804 2.886 -8.613 1.00 0.00 N ATOM 0 H ARG A 38 -8.386 -2.715 -7.557 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.899 -0.288 -7.189 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.371 -0.435 -7.521 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.516 -1.236 -5.969 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.993 0.919 -5.331 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.260 0.924 -5.075 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.730 1.985 -7.518 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.942 2.943 -6.280 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.312 1.038 -7.907 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.084 4.324 -6.854 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.674 5.032 -7.649 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.531 1.967 -8.961 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.237 3.705 -8.834 1.00 0.00 H new ATOM 616 N LYS A 39 -7.272 -2.437 -4.708 1.00 0.00 N ATOM 617 CA LYS A 39 -6.734 -2.876 -3.420 1.00 0.00 C ATOM 618 C LYS A 39 -5.208 -2.875 -3.439 1.00 0.00 C ATOM 619 O LYS A 39 -4.564 -2.183 -2.651 1.00 0.00 O ATOM 620 CB LYS A 39 -7.235 -4.287 -3.086 1.00 0.00 C ATOM 621 CG LYS A 39 -8.451 -4.329 -2.172 1.00 0.00 C ATOM 622 CD LYS A 39 -9.644 -3.597 -2.757 1.00 0.00 C ATOM 623 CE LYS A 39 -10.846 -3.680 -1.828 1.00 0.00 C ATOM 624 NZ LYS A 39 -11.402 -5.055 -1.743 1.00 0.00 N ATOM 0 H LYS A 39 -7.953 -3.080 -5.113 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.079 -2.177 -2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.478 -4.801 -4.016 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.425 -4.844 -2.616 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.723 -5.367 -1.983 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.194 -3.886 -1.210 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.385 -2.552 -2.929 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.899 -4.026 -3.726 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.556 -3.346 -0.832 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.621 -2.999 -2.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.303 -5.034 -1.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.563 -5.424 -2.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.730 -5.671 -1.243 1.00 0.00 H new ATOM 638 N ILE A 40 -4.649 -3.648 -4.364 1.00 0.00 N ATOM 639 CA ILE A 40 -3.203 -3.794 -4.489 1.00 0.00 C ATOM 640 C ILE A 40 -2.534 -2.446 -4.738 1.00 0.00 C ATOM 641 O ILE A 40 -1.454 -2.166 -4.209 1.00 0.00 O ATOM 642 CB ILE A 40 -2.848 -4.766 -5.639 1.00 0.00 C ATOM 643 CG1 ILE A 40 -3.649 -6.065 -5.501 1.00 0.00 C ATOM 644 CG2 ILE A 40 -1.353 -5.059 -5.659 1.00 0.00 C ATOM 645 CD1 ILE A 40 -3.497 -6.740 -4.155 1.00 0.00 C ATOM 0 H ILE A 40 -5.182 -4.189 -5.045 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.833 -4.201 -3.548 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.112 -4.292 -6.584 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.704 -5.850 -5.671 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.335 -6.758 -6.281 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.127 -5.745 -6.476 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.802 -4.130 -5.803 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.058 -5.513 -4.713 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.094 -7.652 -4.136 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.449 -6.989 -3.989 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.839 -6.066 -3.369 1.00 0.00 H new ATOM 657 N ALA A 41 -3.198 -1.606 -5.524 1.00 0.00 N ATOM 658 CA ALA A 41 -2.684 -0.282 -5.852 1.00 0.00 C ATOM 659 C ALA A 41 -2.557 0.593 -4.608 1.00 0.00 C ATOM 660 O ALA A 41 -1.681 1.451 -4.539 1.00 0.00 O ATOM 661 CB ALA A 41 -3.577 0.392 -6.881 1.00 0.00 C ATOM 0 H ALA A 41 -4.100 -1.821 -5.949 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.687 -0.408 -6.274 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.180 1.380 -7.116 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.607 -0.212 -7.788 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.585 0.492 -6.478 1.00 0.00 H new ATOM 667 N VAL A 42 -3.428 0.374 -3.626 1.00 0.00 N ATOM 668 CA VAL A 42 -3.366 1.133 -2.383 1.00 0.00 C ATOM 669 C VAL A 42 -2.147 0.720 -1.574 1.00 0.00 C ATOM 670 O VAL A 42 -1.329 1.561 -1.197 1.00 0.00 O ATOM 671 CB VAL A 42 -4.629 0.947 -1.510 1.00 0.00 C ATOM 672 CG1 VAL A 42 -4.574 1.847 -0.284 1.00 0.00 C ATOM 673 CG2 VAL A 42 -5.881 1.231 -2.309 1.00 0.00 C ATOM 0 H VAL A 42 -4.178 -0.316 -3.667 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.300 2.184 -2.664 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.658 -0.091 -1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.472 1.700 0.316 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.695 1.598 0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.515 2.889 -0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.757 1.094 -1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.855 2.258 -2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.936 0.546 -3.155 1.00 0.00 H new ATOM 683 N VAL A 43 -2.016 -0.580 -1.333 1.00 0.00 N ATOM 684 CA VAL A 43 -0.930 -1.096 -0.511 1.00 0.00 C ATOM 685 C VAL A 43 0.415 -0.755 -1.132 1.00 0.00 C ATOM 686 O VAL A 43 1.311 -0.254 -0.458 1.00 0.00 O ATOM 687 CB VAL A 43 -1.003 -2.623 -0.318 1.00 0.00 C ATOM 688 CG1 VAL A 43 -0.596 -2.993 1.094 1.00 0.00 C ATOM 689 CG2 VAL A 43 -2.387 -3.163 -0.640 1.00 0.00 C ATOM 0 H VAL A 43 -2.648 -1.294 -1.695 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.036 -0.621 0.465 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.304 -3.083 -1.017 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.652 -4.075 1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.425 -2.659 1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.268 -2.512 1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.400 -4.243 -0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.121 -2.698 0.018 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.634 -2.936 -1.677 1.00 0.00 H new ATOM 699 N ARG A 44 0.550 -1.017 -2.428 1.00 0.00 N ATOM 700 CA ARG A 44 1.795 -0.736 -3.123 1.00 0.00 C ATOM 701 C ARG A 44 2.011 0.767 -3.253 1.00 0.00 C ATOM 702 O ARG A 44 3.140 1.244 -3.217 1.00 0.00 O ATOM 703 CB ARG A 44 1.819 -1.376 -4.514 1.00 0.00 C ATOM 704 CG ARG A 44 1.715 -2.894 -4.519 1.00 0.00 C ATOM 705 CD ARG A 44 2.728 -3.506 -5.475 1.00 0.00 C ATOM 706 NE ARG A 44 2.217 -4.701 -6.150 1.00 0.00 N ATOM 707 CZ ARG A 44 2.510 -5.956 -5.809 1.00 0.00 C ATOM 708 NH1 ARG A 44 3.296 -6.207 -4.768 1.00 0.00 N ATOM 709 NH2 ARG A 44 2.015 -6.963 -6.520 1.00 0.00 N ATOM 0 H ARG A 44 -0.183 -1.420 -3.012 1.00 0.00 H new ATOM 0 HA ARG A 44 2.601 -1.168 -2.529 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.996 -0.967 -5.101 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.743 -1.087 -5.016 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.882 -3.277 -3.512 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.708 -3.192 -4.811 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.011 -2.764 -6.222 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.632 -3.764 -4.924 1.00 0.00 H new ATOM 0 HE ARG A 44 1.589 -4.562 -6.942 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.681 -5.436 -4.222 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.515 -7.171 -4.515 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.414 -6.774 -7.322 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.236 -7.925 -6.264 1.00 0.00 H new ATOM 723 N GLY A 45 0.918 1.507 -3.395 1.00 0.00 N ATOM 724 CA GLY A 45 1.004 2.943 -3.559 1.00 0.00 C ATOM 725 C GLY A 45 1.544 3.640 -2.326 1.00 0.00 C ATOM 726 O GLY A 45 2.368 4.544 -2.429 1.00 0.00 O ATOM 0 H GLY A 45 -0.031 1.134 -3.399 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.646 3.170 -4.410 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.015 3.338 -3.791 1.00 0.00 H new ATOM 730 N VAL A 46 1.089 3.220 -1.152 1.00 0.00 N ATOM 731 CA VAL A 46 1.537 3.843 0.084 1.00 0.00 C ATOM 732 C VAL A 46 2.837 3.214 0.589 1.00 0.00 C ATOM 733 O VAL A 46 3.806 3.924 0.843 1.00 0.00 O ATOM 734 CB VAL A 46 0.453 3.799 1.193 1.00 0.00 C ATOM 735 CG1 VAL A 46 -0.760 4.615 0.774 1.00 0.00 C ATOM 736 CG2 VAL A 46 0.036 2.375 1.524 1.00 0.00 C ATOM 0 H VAL A 46 0.419 2.461 -1.031 1.00 0.00 H new ATOM 0 HA VAL A 46 1.726 4.890 -0.152 1.00 0.00 H new ATOM 0 HB VAL A 46 0.888 4.232 2.094 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.514 4.576 1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.462 5.650 0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.175 4.204 -0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.724 2.391 2.305 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.370 1.898 0.632 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.903 1.814 1.873 1.00 0.00 H new ATOM 746 N ILE A 47 2.865 1.887 0.679 1.00 0.00 N ATOM 747 CA ILE A 47 3.987 1.164 1.270 1.00 0.00 C ATOM 748 C ILE A 47 5.218 1.179 0.366 1.00 0.00 C ATOM 749 O ILE A 47 6.329 1.467 0.810 1.00 0.00 O ATOM 750 CB ILE A 47 3.579 -0.298 1.580 1.00 0.00 C ATOM 751 CG1 ILE A 47 2.616 -0.337 2.770 1.00 0.00 C ATOM 752 CG2 ILE A 47 4.787 -1.186 1.831 1.00 0.00 C ATOM 753 CD1 ILE A 47 2.251 -1.740 3.213 1.00 0.00 C ATOM 0 H ILE A 47 2.113 1.284 0.345 1.00 0.00 H new ATOM 0 HA ILE A 47 4.250 1.674 2.197 1.00 0.00 H new ATOM 0 HB ILE A 47 3.071 -0.694 0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.067 0.193 3.609 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.705 0.200 2.506 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.454 -2.202 2.044 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.425 -1.191 0.947 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.350 -0.803 2.682 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.566 -1.688 4.060 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.770 -2.268 2.390 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.154 -2.275 3.509 1.00 0.00 H new ATOM 765 N TYR A 48 5.013 0.868 -0.903 1.00 0.00 N ATOM 766 CA TYR A 48 6.107 0.789 -1.860 1.00 0.00 C ATOM 767 C TYR A 48 6.349 2.160 -2.484 1.00 0.00 C ATOM 768 O TYR A 48 7.395 2.415 -3.085 1.00 0.00 O ATOM 769 CB TYR A 48 5.750 -0.254 -2.934 1.00 0.00 C ATOM 770 CG TYR A 48 6.852 -0.594 -3.918 1.00 0.00 C ATOM 771 CD1 TYR A 48 7.863 -1.484 -3.579 1.00 0.00 C ATOM 772 CD2 TYR A 48 6.858 -0.059 -5.201 1.00 0.00 C ATOM 773 CE1 TYR A 48 8.849 -1.828 -4.485 1.00 0.00 C ATOM 774 CE2 TYR A 48 7.844 -0.391 -6.110 1.00 0.00 C ATOM 775 CZ TYR A 48 8.837 -1.277 -5.749 1.00 0.00 C ATOM 776 OH TYR A 48 9.809 -1.629 -6.658 1.00 0.00 O ATOM 0 H TYR A 48 4.094 0.665 -1.297 1.00 0.00 H new ATOM 0 HA TYR A 48 7.026 0.483 -1.360 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.440 -1.171 -2.433 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.889 0.110 -3.494 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.879 -1.915 -2.589 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.078 0.629 -5.492 1.00 0.00 H new ATOM 0 HE1 TYR A 48 9.625 -2.525 -4.204 1.00 0.00 H new ATOM 0 HE2 TYR A 48 7.837 0.042 -7.099 1.00 0.00 H new ATOM 0 HH TYR A 48 9.656 -1.153 -7.501 1.00 0.00 H new ATOM 786 N GLY A 49 5.369 3.041 -2.323 1.00 0.00 N ATOM 787 CA GLY A 49 5.420 4.341 -2.951 1.00 0.00 C ATOM 788 C GLY A 49 5.811 5.476 -2.017 1.00 0.00 C ATOM 789 O GLY A 49 6.936 5.978 -2.078 1.00 0.00 O ATOM 0 H GLY A 49 4.534 2.873 -1.762 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.131 4.305 -3.776 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.443 4.561 -3.382 1.00 0.00 H new ATOM 793 N LEU A 50 4.886 5.887 -1.153 1.00 0.00 N ATOM 794 CA LEU A 50 5.024 7.161 -0.451 1.00 0.00 C ATOM 795 C LEU A 50 5.405 7.028 1.027 1.00 0.00 C ATOM 796 O LEU A 50 6.552 7.287 1.404 1.00 0.00 O ATOM 797 CB LEU A 50 3.731 7.990 -0.568 1.00 0.00 C ATOM 798 CG LEU A 50 3.519 8.741 -1.891 1.00 0.00 C ATOM 799 CD1 LEU A 50 3.198 7.787 -3.030 1.00 0.00 C ATOM 800 CD2 LEU A 50 2.413 9.772 -1.736 1.00 0.00 C ATOM 0 H LEU A 50 4.041 5.363 -0.924 1.00 0.00 H new ATOM 0 HA LEU A 50 5.852 7.669 -0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.883 7.323 -0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.717 8.717 0.244 1.00 0.00 H new ATOM 0 HG LEU A 50 4.450 9.250 -2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.054 8.354 -3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.022 7.086 -3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.287 7.236 -2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.271 10.298 -2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.486 9.272 -1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.688 10.486 -0.960 1.00 0.00 H new ATOM 812 N ILE A 51 4.448 6.642 1.865 1.00 0.00 N ATOM 813 CA ILE A 51 4.592 6.841 3.307 1.00 0.00 C ATOM 814 C ILE A 51 4.362 5.570 4.119 1.00 0.00 C ATOM 815 O ILE A 51 4.113 4.497 3.576 1.00 0.00 O ATOM 816 CB ILE A 51 3.629 7.939 3.839 1.00 0.00 C ATOM 817 CG1 ILE A 51 2.158 7.473 3.823 1.00 0.00 C ATOM 818 CG2 ILE A 51 3.788 9.232 3.049 1.00 0.00 C ATOM 819 CD1 ILE A 51 1.567 7.224 2.451 1.00 0.00 C ATOM 0 H ILE A 51 3.576 6.196 1.579 1.00 0.00 H new ATOM 0 HA ILE A 51 5.628 7.154 3.440 1.00 0.00 H new ATOM 0 HB ILE A 51 3.902 8.129 4.877 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.080 6.555 4.405 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.552 8.224 4.330 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.103 9.984 3.441 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.813 9.591 3.141 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.562 9.047 1.999 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.531 6.901 2.554 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.604 8.143 1.867 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.140 6.448 1.943 1.00 0.00 H new ATOM 831 N THR A 52 4.435 5.726 5.438 1.00 0.00 N ATOM 832 CA THR A 52 4.241 4.630 6.375 1.00 0.00 C ATOM 833 C THR A 52 2.764 4.283 6.530 1.00 0.00 C ATOM 834 O THR A 52 1.879 5.097 6.245 1.00 0.00 O ATOM 835 CB THR A 52 4.853 4.968 7.761 1.00 0.00 C ATOM 836 OG1 THR A 52 4.232 4.202 8.804 1.00 0.00 O ATOM 837 CG2 THR A 52 4.716 6.449 8.079 1.00 0.00 C ATOM 0 H THR A 52 4.631 6.621 5.886 1.00 0.00 H new ATOM 0 HA THR A 52 4.756 3.761 5.965 1.00 0.00 H new ATOM 0 HB THR A 52 5.911 4.711 7.712 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.533 3.271 8.750 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.154 6.653 9.056 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.235 7.034 7.319 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.661 6.723 8.090 1.00 0.00 H new ATOM 845 N LEU A 53 2.514 3.067 6.997 1.00 0.00 N ATOM 846 CA LEU A 53 1.168 2.577 7.226 1.00 0.00 C ATOM 847 C LEU A 53 0.441 3.430 8.258 1.00 0.00 C ATOM 848 O LEU A 53 -0.774 3.544 8.220 1.00 0.00 O ATOM 849 CB LEU A 53 1.231 1.122 7.694 1.00 0.00 C ATOM 850 CG LEU A 53 -0.103 0.493 8.104 1.00 0.00 C ATOM 851 CD1 LEU A 53 -1.077 0.480 6.936 1.00 0.00 C ATOM 852 CD2 LEU A 53 0.117 -0.919 8.625 1.00 0.00 C ATOM 0 H LEU A 53 3.244 2.393 7.227 1.00 0.00 H new ATOM 0 HA LEU A 53 0.611 2.638 6.291 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.663 0.522 6.893 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.914 1.062 8.541 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.535 1.098 8.901 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.018 0.028 7.252 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.259 1.502 6.603 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.654 -0.099 6.116 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.840 -1.354 8.913 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.572 -1.528 7.844 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.777 -0.888 9.492 1.00 0.00 H new ATOM 864 N ALA A 54 1.190 4.038 9.172 1.00 0.00 N ATOM 865 CA ALA A 54 0.594 4.897 10.187 1.00 0.00 C ATOM 866 C ALA A 54 -0.141 6.066 9.535 1.00 0.00 C ATOM 867 O ALA A 54 -1.240 6.445 9.951 1.00 0.00 O ATOM 868 CB ALA A 54 1.658 5.402 11.146 1.00 0.00 C ATOM 0 H ALA A 54 2.205 3.952 9.230 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.130 4.311 10.754 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.196 6.042 11.898 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.138 4.555 11.636 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.405 5.972 10.593 1.00 0.00 H new ATOM 874 N GLU A 55 0.459 6.615 8.491 1.00 0.00 N ATOM 875 CA GLU A 55 -0.151 7.713 7.760 1.00 0.00 C ATOM 876 C GLU A 55 -1.287 7.183 6.897 1.00 0.00 C ATOM 877 O GLU A 55 -2.326 7.825 6.744 1.00 0.00 O ATOM 878 CB GLU A 55 0.889 8.423 6.895 1.00 0.00 C ATOM 879 CG GLU A 55 2.146 8.823 7.655 1.00 0.00 C ATOM 880 CD GLU A 55 1.842 9.568 8.936 1.00 0.00 C ATOM 881 OE1 GLU A 55 1.320 10.695 8.862 1.00 0.00 O ATOM 882 OE2 GLU A 55 2.125 9.026 10.026 1.00 0.00 O ATOM 0 H GLU A 55 1.366 6.319 8.132 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.551 8.435 8.472 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.167 7.770 6.068 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.439 9.315 6.460 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.725 7.929 7.888 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.769 9.448 7.015 1.00 0.00 H new ATOM 889 N ALA A 56 -1.087 5.986 6.362 1.00 0.00 N ATOM 890 CA ALA A 56 -2.104 5.316 5.562 1.00 0.00 C ATOM 891 C ALA A 56 -3.227 4.785 6.437 1.00 0.00 C ATOM 892 O ALA A 56 -4.215 4.294 5.932 1.00 0.00 O ATOM 893 CB ALA A 56 -1.479 4.190 4.752 1.00 0.00 C ATOM 0 H ALA A 56 -0.222 5.455 6.469 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.532 6.046 4.875 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.249 3.698 4.159 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.716 4.599 4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.023 3.466 5.427 1.00 0.00 H new ATOM 899 N LYS A 57 -3.065 4.880 7.746 1.00 0.00 N ATOM 900 CA LYS A 57 -4.130 4.530 8.674 1.00 0.00 C ATOM 901 C LYS A 57 -5.024 5.737 8.919 1.00 0.00 C ATOM 902 O LYS A 57 -6.252 5.634 8.887 1.00 0.00 O ATOM 903 CB LYS A 57 -3.546 4.014 9.990 1.00 0.00 C ATOM 904 CG LYS A 57 -3.173 2.537 9.947 1.00 0.00 C ATOM 905 CD LYS A 57 -2.265 2.142 11.106 1.00 0.00 C ATOM 906 CE LYS A 57 -2.868 2.486 12.460 1.00 0.00 C ATOM 907 NZ LYS A 57 -4.187 1.836 12.679 1.00 0.00 N ATOM 0 H LYS A 57 -2.204 5.197 8.192 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.732 3.734 8.235 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.660 4.598 10.240 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.270 4.175 10.789 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.080 1.933 9.975 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.673 2.317 9.004 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.068 1.071 11.061 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.305 2.647 11.000 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.181 2.180 13.248 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.982 3.567 12.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.444 1.902 13.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.910 2.315 12.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.131 0.835 12.401 1.00 0.00 H new ATOM 921 N GLN A 58 -4.400 6.882 9.142 1.00 0.00 N ATOM 922 CA GLN A 58 -5.127 8.128 9.360 1.00 0.00 C ATOM 923 C GLN A 58 -5.982 8.489 8.151 1.00 0.00 C ATOM 924 O GLN A 58 -7.097 8.995 8.295 1.00 0.00 O ATOM 925 CB GLN A 58 -4.145 9.260 9.659 1.00 0.00 C ATOM 926 CG GLN A 58 -3.361 9.062 10.942 1.00 0.00 C ATOM 927 CD GLN A 58 -2.198 10.022 11.062 1.00 0.00 C ATOM 928 OE1 GLN A 58 -2.333 11.127 11.589 1.00 0.00 O ATOM 929 NE2 GLN A 58 -1.040 9.600 10.584 1.00 0.00 N ATOM 0 H GLN A 58 -3.385 6.977 9.177 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.790 7.987 10.214 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.447 9.353 8.827 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.694 10.199 9.720 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.027 9.194 11.795 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.989 8.038 10.983 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.971 8.677 10.155 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.215 10.197 10.644 1.00 0.00 H new ATOM 938 N THR A 59 -5.461 8.226 6.960 1.00 0.00 N ATOM 939 CA THR A 59 -6.156 8.575 5.731 1.00 0.00 C ATOM 940 C THR A 59 -6.868 7.368 5.113 1.00 0.00 C ATOM 941 O THR A 59 -8.078 7.402 4.886 1.00 0.00 O ATOM 942 CB THR A 59 -5.173 9.168 4.708 1.00 0.00 C ATOM 943 OG1 THR A 59 -4.310 10.105 5.363 1.00 0.00 O ATOM 944 CG2 THR A 59 -5.918 9.865 3.578 1.00 0.00 C ATOM 0 H THR A 59 -4.559 7.772 6.820 1.00 0.00 H new ATOM 0 HA THR A 59 -6.910 9.318 5.990 1.00 0.00 H new ATOM 0 HB THR A 59 -4.584 8.355 4.282 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.597 9.622 5.831 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.200 10.276 2.868 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.561 9.147 3.069 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.526 10.672 3.987 1.00 0.00 H new ATOM 952 N TYR A 60 -6.120 6.298 4.857 1.00 0.00 N ATOM 953 CA TYR A 60 -6.644 5.157 4.115 1.00 0.00 C ATOM 954 C TYR A 60 -6.898 3.970 5.038 1.00 0.00 C ATOM 955 O TYR A 60 -7.043 2.843 4.571 1.00 0.00 O ATOM 956 CB TYR A 60 -5.671 4.724 3.013 1.00 0.00 C ATOM 957 CG TYR A 60 -4.993 5.869 2.285 1.00 0.00 C ATOM 958 CD1 TYR A 60 -5.668 6.611 1.329 1.00 0.00 C ATOM 959 CD2 TYR A 60 -3.669 6.193 2.546 1.00 0.00 C ATOM 960 CE1 TYR A 60 -5.046 7.648 0.656 1.00 0.00 C ATOM 961 CE2 TYR A 60 -3.040 7.229 1.881 1.00 0.00 C ATOM 962 CZ TYR A 60 -3.732 7.952 0.935 1.00 0.00 C ATOM 963 OH TYR A 60 -3.105 8.982 0.267 1.00 0.00 O ATOM 0 H TYR A 60 -5.149 6.198 5.153 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.585 5.474 3.666 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.905 4.086 3.453 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.212 4.118 2.286 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.698 6.376 1.105 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.120 5.625 3.282 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.589 8.216 -0.085 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.011 7.470 2.102 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.181 9.063 0.584 1.00 0.00 H new ATOM 973 N GLY A 61 -6.940 4.230 6.343 1.00 0.00 N ATOM 974 CA GLY A 61 -6.914 3.168 7.334 1.00 0.00 C ATOM 975 C GLY A 61 -8.006 2.135 7.181 1.00 0.00 C ATOM 976 O GLY A 61 -7.750 0.951 7.398 1.00 0.00 O ATOM 0 H GLY A 61 -6.992 5.170 6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.948 2.666 7.283 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.990 3.613 8.326 1.00 0.00 H new ATOM 980 N LEU A 62 -9.205 2.577 6.797 1.00 0.00 N ATOM 981 CA LEU A 62 -10.379 1.697 6.740 1.00 0.00 C ATOM 982 C LEU A 62 -10.588 1.051 8.111 1.00 0.00 C ATOM 983 O LEU A 62 -11.200 1.638 9.009 1.00 0.00 O ATOM 984 CB LEU A 62 -10.199 0.595 5.680 1.00 0.00 C ATOM 985 CG LEU A 62 -9.386 0.991 4.443 1.00 0.00 C ATOM 986 CD1 LEU A 62 -8.352 -0.076 4.132 1.00 0.00 C ATOM 987 CD2 LEU A 62 -10.284 1.208 3.241 1.00 0.00 C ATOM 0 H LEU A 62 -9.391 3.541 6.520 1.00 0.00 H new ATOM 0 HA LEU A 62 -11.247 2.297 6.466 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.716 -0.261 6.151 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.185 0.265 5.354 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.879 1.931 4.662 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.781 0.217 3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.678 -0.188 4.981 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.854 -1.024 3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.678 1.488 2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.825 0.288 3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.996 2.005 3.458 1.00 0.00 H new ATOM 999 N SER A 63 -10.053 -0.152 8.253 1.00 0.00 N ATOM 1000 CA SER A 63 -9.894 -0.807 9.532 1.00 0.00 C ATOM 1001 C SER A 63 -8.567 -1.557 9.506 1.00 0.00 C ATOM 1002 O SER A 63 -8.155 -2.035 8.444 1.00 0.00 O ATOM 1003 CB SER A 63 -11.063 -1.757 9.811 1.00 0.00 C ATOM 1004 OG SER A 63 -11.293 -2.624 8.716 1.00 0.00 O ATOM 0 H SER A 63 -9.713 -0.706 7.467 1.00 0.00 H new ATOM 0 HA SER A 63 -9.891 -0.071 10.336 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.852 -2.344 10.705 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.964 -1.178 10.015 1.00 0.00 H new ATOM 0 HG SER A 63 -11.093 -3.546 8.981 1.00 0.00 H new ATOM 1010 N ASP A 64 -7.890 -1.632 10.650 1.00 0.00 N ATOM 1011 CA ASP A 64 -6.552 -2.232 10.722 1.00 0.00 C ATOM 1012 C ASP A 64 -6.489 -3.582 10.024 1.00 0.00 C ATOM 1013 O ASP A 64 -5.644 -3.801 9.159 1.00 0.00 O ATOM 1014 CB ASP A 64 -6.099 -2.396 12.174 1.00 0.00 C ATOM 1015 CG ASP A 64 -5.594 -1.104 12.774 1.00 0.00 C ATOM 1016 OD1 ASP A 64 -4.402 -0.782 12.579 1.00 0.00 O ATOM 1017 OD2 ASP A 64 -6.381 -0.403 13.448 1.00 0.00 O ATOM 0 H ASP A 64 -8.243 -1.286 11.542 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.880 -1.546 10.206 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.932 -2.769 12.771 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.311 -3.147 12.222 1.00 0.00 H new ATOM 1022 N GLU A 65 -7.403 -4.474 10.382 1.00 0.00 N ATOM 1023 CA GLU A 65 -7.386 -5.831 9.851 1.00 0.00 C ATOM 1024 C GLU A 65 -7.639 -5.844 8.343 1.00 0.00 C ATOM 1025 O GLU A 65 -7.080 -6.669 7.626 1.00 0.00 O ATOM 1026 CB GLU A 65 -8.426 -6.695 10.563 1.00 0.00 C ATOM 1027 CG GLU A 65 -8.182 -8.187 10.411 1.00 0.00 C ATOM 1028 CD GLU A 65 -6.905 -8.637 11.096 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -6.921 -8.822 12.330 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -5.871 -8.792 10.409 1.00 0.00 O ATOM 0 H GLU A 65 -8.163 -4.284 11.035 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.394 -6.244 10.031 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.432 -6.442 11.623 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -9.415 -6.455 10.172 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.027 -8.735 10.828 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.131 -8.438 9.352 1.00 0.00 H new ATOM 1037 N GLU A 66 -8.467 -4.920 7.869 1.00 0.00 N ATOM 1038 CA GLU A 66 -8.810 -4.851 6.451 1.00 0.00 C ATOM 1039 C GLU A 66 -7.581 -4.507 5.615 1.00 0.00 C ATOM 1040 O GLU A 66 -7.234 -5.234 4.683 1.00 0.00 O ATOM 1041 CB GLU A 66 -9.907 -3.812 6.220 1.00 0.00 C ATOM 1042 CG GLU A 66 -10.481 -3.832 4.810 1.00 0.00 C ATOM 1043 CD GLU A 66 -11.702 -2.949 4.663 1.00 0.00 C ATOM 1044 OE1 GLU A 66 -12.742 -3.257 5.283 1.00 0.00 O ATOM 1045 OE2 GLU A 66 -11.637 -1.951 3.919 1.00 0.00 O ATOM 0 H GLU A 66 -8.914 -4.207 8.445 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.178 -5.829 6.141 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.713 -3.983 6.933 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.505 -2.820 6.425 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.715 -3.506 4.106 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.744 -4.856 4.544 1.00 0.00 H new ATOM 1052 N PHE A 67 -6.911 -3.414 5.970 1.00 0.00 N ATOM 1053 CA PHE A 67 -5.745 -2.960 5.224 1.00 0.00 C ATOM 1054 C PHE A 67 -4.625 -3.996 5.320 1.00 0.00 C ATOM 1055 O PHE A 67 -3.987 -4.337 4.321 1.00 0.00 O ATOM 1056 CB PHE A 67 -5.256 -1.611 5.759 1.00 0.00 C ATOM 1057 CG PHE A 67 -4.358 -0.867 4.805 1.00 0.00 C ATOM 1058 CD1 PHE A 67 -3.050 -1.276 4.592 1.00 0.00 C ATOM 1059 CD2 PHE A 67 -4.828 0.242 4.119 1.00 0.00 C ATOM 1060 CE1 PHE A 67 -2.231 -0.592 3.711 1.00 0.00 C ATOM 1061 CE2 PHE A 67 -4.014 0.929 3.241 1.00 0.00 C ATOM 1062 CZ PHE A 67 -2.714 0.511 3.037 1.00 0.00 C ATOM 0 H PHE A 67 -7.156 -2.828 6.768 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.029 -2.837 4.179 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -6.120 -0.988 5.991 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.721 -1.774 6.694 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.667 -2.137 5.119 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -5.844 0.573 4.273 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -1.215 -0.921 3.551 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.393 1.792 2.714 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.076 1.047 2.350 1.00 0.00 H new ATOM 1072 N ASN A 68 -4.403 -4.506 6.529 1.00 0.00 N ATOM 1073 CA ASN A 68 -3.359 -5.503 6.769 1.00 0.00 C ATOM 1074 C ASN A 68 -3.677 -6.814 6.068 1.00 0.00 C ATOM 1075 O ASN A 68 -2.779 -7.604 5.770 1.00 0.00 O ATOM 1076 CB ASN A 68 -3.176 -5.750 8.267 1.00 0.00 C ATOM 1077 CG ASN A 68 -2.572 -4.560 8.989 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -1.789 -3.804 8.416 1.00 0.00 O ATOM 1079 ND2 ASN A 68 -2.927 -4.392 10.255 1.00 0.00 N ATOM 0 H ASN A 68 -4.933 -4.245 7.361 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.430 -5.107 6.359 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.142 -5.987 8.712 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.536 -6.620 8.412 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -2.548 -3.612 10.792 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.580 -5.043 10.692 1.00 0.00 H new ATOM 1086 N SER A 69 -4.954 -7.046 5.802 1.00 0.00 N ATOM 1087 CA SER A 69 -5.378 -8.247 5.104 1.00 0.00 C ATOM 1088 C SER A 69 -4.889 -8.203 3.658 1.00 0.00 C ATOM 1089 O SER A 69 -4.601 -9.235 3.054 1.00 0.00 O ATOM 1090 CB SER A 69 -6.903 -8.391 5.154 1.00 0.00 C ATOM 1091 OG SER A 69 -7.303 -9.734 4.936 1.00 0.00 O ATOM 0 H SER A 69 -5.714 -6.417 6.060 1.00 0.00 H new ATOM 0 HA SER A 69 -4.942 -9.115 5.598 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.270 -8.053 6.123 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.356 -7.748 4.399 1.00 0.00 H new ATOM 0 HG SER A 69 -8.280 -9.795 4.975 1.00 0.00 H new ATOM 1097 N TRP A 70 -4.771 -6.993 3.117 1.00 0.00 N ATOM 1098 CA TRP A 70 -4.247 -6.811 1.771 1.00 0.00 C ATOM 1099 C TRP A 70 -2.751 -7.099 1.756 1.00 0.00 C ATOM 1100 O TRP A 70 -2.251 -7.808 0.884 1.00 0.00 O ATOM 1101 CB TRP A 70 -4.489 -5.384 1.271 1.00 0.00 C ATOM 1102 CG TRP A 70 -5.921 -4.942 1.307 1.00 0.00 C ATOM 1103 CD1 TRP A 70 -7.032 -5.724 1.461 1.00 0.00 C ATOM 1104 CD2 TRP A 70 -6.391 -3.601 1.167 1.00 0.00 C ATOM 1105 NE1 TRP A 70 -8.162 -4.943 1.442 1.00 0.00 N ATOM 1106 CE2 TRP A 70 -7.794 -3.636 1.261 1.00 0.00 C ATOM 1107 CE3 TRP A 70 -5.759 -2.371 0.980 1.00 0.00 C ATOM 1108 CZ2 TRP A 70 -8.573 -2.488 1.169 1.00 0.00 C ATOM 1109 CZ3 TRP A 70 -6.533 -1.233 0.887 1.00 0.00 C ATOM 1110 CH2 TRP A 70 -7.926 -1.298 0.984 1.00 0.00 C ATOM 0 H TRP A 70 -5.031 -6.128 3.590 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.768 -7.505 1.111 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.896 -4.697 1.874 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.124 -5.306 0.247 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -7.023 -6.797 1.580 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -9.119 -5.281 1.546 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -4.683 -2.311 0.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -9.650 -2.535 1.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -6.055 -0.276 0.737 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -8.504 -0.388 0.911 1.00 0.00 H new ATOM 1121 N VAL A 71 -2.048 -6.548 2.742 1.00 0.00 N ATOM 1122 CA VAL A 71 -0.605 -6.733 2.861 1.00 0.00 C ATOM 1123 C VAL A 71 -0.267 -8.209 3.025 1.00 0.00 C ATOM 1124 O VAL A 71 0.638 -8.732 2.375 1.00 0.00 O ATOM 1125 CB VAL A 71 -0.030 -5.969 4.073 1.00 0.00 C ATOM 1126 CG1 VAL A 71 1.490 -5.927 4.014 1.00 0.00 C ATOM 1127 CG2 VAL A 71 -0.608 -4.566 4.163 1.00 0.00 C ATOM 0 H VAL A 71 -2.457 -5.967 3.474 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.160 -6.341 1.946 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.321 -6.507 4.975 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.873 -5.384 4.878 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.883 -6.944 4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.805 -5.423 3.100 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.184 -4.053 5.026 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.364 -4.013 3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.691 -4.625 4.271 1.00 0.00 H new ATOM 1137 N SER A 72 -1.008 -8.876 3.897 1.00 0.00 N ATOM 1138 CA SER A 72 -0.779 -10.282 4.182 1.00 0.00 C ATOM 1139 C SER A 72 -1.130 -11.156 2.974 1.00 0.00 C ATOM 1140 O SER A 72 -0.569 -12.240 2.793 1.00 0.00 O ATOM 1141 CB SER A 72 -1.583 -10.696 5.417 1.00 0.00 C ATOM 1142 OG SER A 72 -2.945 -10.324 5.291 1.00 0.00 O ATOM 0 H SER A 72 -1.778 -8.461 4.422 1.00 0.00 H new ATOM 0 HA SER A 72 0.281 -10.429 4.389 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.509 -11.774 5.557 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.157 -10.229 6.305 1.00 0.00 H new ATOM 0 HG SER A 72 -3.050 -9.381 5.535 1.00 0.00 H new ATOM 1148 N ALA A 73 -2.044 -10.672 2.137 1.00 0.00 N ATOM 1149 CA ALA A 73 -2.405 -11.374 0.911 1.00 0.00 C ATOM 1150 C ALA A 73 -1.306 -11.199 -0.127 1.00 0.00 C ATOM 1151 O ALA A 73 -1.058 -12.080 -0.947 1.00 0.00 O ATOM 1152 CB ALA A 73 -3.737 -10.870 0.372 1.00 0.00 C ATOM 0 H ALA A 73 -2.547 -9.797 2.286 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.514 -12.435 1.134 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.986 -11.408 -0.543 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.517 -11.037 1.115 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.663 -9.804 0.157 1.00 0.00 H new ATOM 1158 N LEU A 74 -0.639 -10.054 -0.065 1.00 0.00 N ATOM 1159 CA LEU A 74 0.484 -9.764 -0.945 1.00 0.00 C ATOM 1160 C LEU A 74 1.737 -10.491 -0.473 1.00 0.00 C ATOM 1161 O LEU A 74 2.679 -10.696 -1.240 1.00 0.00 O ATOM 1162 CB LEU A 74 0.728 -8.258 -0.995 1.00 0.00 C ATOM 1163 CG LEU A 74 -0.308 -7.473 -1.798 1.00 0.00 C ATOM 1164 CD1 LEU A 74 -0.120 -5.978 -1.605 1.00 0.00 C ATOM 1165 CD2 LEU A 74 -0.215 -7.836 -3.274 1.00 0.00 C ATOM 0 H LEU A 74 -0.859 -9.305 0.592 1.00 0.00 H new ATOM 0 HA LEU A 74 0.244 -10.117 -1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.747 -7.872 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.714 -8.077 -1.423 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.300 -7.740 -1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.868 -5.439 -2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.233 -5.730 -0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.876 -5.690 -1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.958 -7.270 -3.835 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.781 -7.596 -3.646 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.401 -8.903 -3.399 1.00 0.00 H new ATOM 1177 N ALA A 75 1.743 -10.864 0.801 1.00 0.00 N ATOM 1178 CA ALA A 75 2.830 -11.650 1.359 1.00 0.00 C ATOM 1179 C ALA A 75 2.815 -13.053 0.774 1.00 0.00 C ATOM 1180 O ALA A 75 3.866 -13.590 0.416 1.00 0.00 O ATOM 1181 CB ALA A 75 2.728 -11.713 2.876 1.00 0.00 C ATOM 0 H ALA A 75 1.005 -10.633 1.466 1.00 0.00 H new ATOM 0 HA ALA A 75 3.772 -11.167 1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.552 -12.307 3.272 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.778 -10.704 3.286 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.781 -12.173 3.158 1.00 0.00 H new ATOM 1187 N GLU A 76 1.609 -13.632 0.700 1.00 0.00 N ATOM 1188 CA GLU A 76 1.379 -14.972 0.143 1.00 0.00 C ATOM 1189 C GLU A 76 1.964 -16.061 1.049 1.00 0.00 C ATOM 1190 O GLU A 76 1.287 -17.022 1.406 1.00 0.00 O ATOM 1191 CB GLU A 76 1.952 -15.075 -1.278 1.00 0.00 C ATOM 1192 CG GLU A 76 1.642 -16.386 -1.982 1.00 0.00 C ATOM 1193 CD GLU A 76 0.153 -16.667 -2.067 1.00 0.00 C ATOM 1194 OE1 GLU A 76 -0.582 -15.856 -2.667 1.00 0.00 O ATOM 1195 OE2 GLU A 76 -0.289 -17.715 -1.549 1.00 0.00 O ATOM 0 H GLU A 76 0.757 -13.178 1.029 1.00 0.00 H new ATOM 0 HA GLU A 76 0.302 -15.131 0.090 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.559 -14.253 -1.876 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.034 -14.947 -1.232 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.061 -16.361 -2.988 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.132 -17.203 -1.452 1.00 0.00 H new ATOM 1202 N HIS A 77 3.220 -15.899 1.417 1.00 0.00 N ATOM 1203 CA HIS A 77 3.892 -16.843 2.296 1.00 0.00 C ATOM 1204 C HIS A 77 3.588 -16.515 3.750 1.00 0.00 C ATOM 1205 O HIS A 77 3.226 -17.394 4.530 1.00 0.00 O ATOM 1206 CB HIS A 77 5.399 -16.827 2.044 1.00 0.00 C ATOM 1207 CG HIS A 77 5.771 -17.164 0.629 1.00 0.00 C ATOM 1208 ND1 HIS A 77 6.344 -16.259 -0.237 1.00 0.00 N ATOM 1209 CD2 HIS A 77 5.631 -18.315 -0.072 1.00 0.00 C ATOM 1210 CE1 HIS A 77 6.538 -16.835 -1.409 1.00 0.00 C ATOM 1211 NE2 HIS A 77 6.114 -18.082 -1.337 1.00 0.00 N ATOM 0 H HIS A 77 3.802 -15.116 1.119 1.00 0.00 H new ATOM 0 HA HIS A 77 3.521 -17.845 2.082 1.00 0.00 H new ATOM 0 HB2 HIS A 77 5.790 -15.840 2.289 1.00 0.00 H new ATOM 0 HB3 HIS A 77 5.880 -17.537 2.717 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.217 -19.243 0.295 1.00 0.00 H new ATOM 0 HE1 HIS A 77 6.971 -16.365 -2.280 1.00 0.00 H new ATOM 0 HE2 HIS A 77 6.140 -18.762 -2.097 1.00 0.00 H new ATOM 1220 N GLY A 78 3.745 -15.243 4.108 1.00 0.00 N ATOM 1221 CA GLY A 78 3.367 -14.775 5.433 1.00 0.00 C ATOM 1222 C GLY A 78 4.359 -15.149 6.522 1.00 0.00 C ATOM 1223 O GLY A 78 4.845 -14.280 7.245 1.00 0.00 O ATOM 0 H GLY A 78 4.131 -14.522 3.499 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.261 -13.690 5.408 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.390 -15.185 5.688 1.00 0.00 H new ATOM 1227 N LYS A 79 4.651 -16.439 6.633 1.00 0.00 N ATOM 1228 CA LYS A 79 5.531 -16.960 7.676 1.00 0.00 C ATOM 1229 C LYS A 79 6.923 -16.351 7.594 1.00 0.00 C ATOM 1230 O LYS A 79 7.552 -16.082 8.620 1.00 0.00 O ATOM 1231 CB LYS A 79 5.630 -18.480 7.568 1.00 0.00 C ATOM 1232 CG LYS A 79 4.302 -19.195 7.767 1.00 0.00 C ATOM 1233 CD LYS A 79 3.675 -18.830 9.103 1.00 0.00 C ATOM 1234 CE LYS A 79 2.366 -19.570 9.334 1.00 0.00 C ATOM 1235 NZ LYS A 79 1.370 -19.302 8.264 1.00 0.00 N ATOM 0 H LYS A 79 4.286 -17.154 6.004 1.00 0.00 H new ATOM 0 HA LYS A 79 5.098 -16.686 8.638 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.029 -18.740 6.588 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.342 -18.842 8.309 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.620 -18.932 6.958 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.455 -20.273 7.717 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.372 -19.064 9.908 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.496 -17.755 9.139 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.561 -20.641 9.386 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.950 -19.275 10.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.442 -19.671 8.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.301 -18.277 8.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.670 -19.771 7.385 1.00 0.00 H new ATOM 1249 N ASP A 80 7.408 -16.163 6.373 1.00 0.00 N ATOM 1250 CA ASP A 80 8.689 -15.501 6.152 1.00 0.00 C ATOM 1251 C ASP A 80 8.640 -14.100 6.739 1.00 0.00 C ATOM 1252 O ASP A 80 9.384 -13.773 7.661 1.00 0.00 O ATOM 1253 CB ASP A 80 9.006 -15.405 4.652 1.00 0.00 C ATOM 1254 CG ASP A 80 9.041 -16.753 3.963 1.00 0.00 C ATOM 1255 OD1 ASP A 80 7.977 -17.394 3.854 1.00 0.00 O ATOM 1256 OD2 ASP A 80 10.127 -17.171 3.510 1.00 0.00 O ATOM 0 H ASP A 80 6.934 -16.459 5.520 1.00 0.00 H new ATOM 0 HA ASP A 80 9.468 -16.088 6.638 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.258 -14.776 4.169 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.969 -14.912 4.521 1.00 0.00 H new ATOM 1261 N ALA A 81 7.771 -13.279 6.146 1.00 0.00 N ATOM 1262 CA ALA A 81 7.458 -11.924 6.617 1.00 0.00 C ATOM 1263 C ALA A 81 8.601 -10.958 6.327 1.00 0.00 C ATOM 1264 O ALA A 81 8.394 -9.762 6.140 1.00 0.00 O ATOM 1265 CB ALA A 81 7.107 -11.926 8.100 1.00 0.00 C ATOM 0 H ALA A 81 7.253 -13.541 5.307 1.00 0.00 H new ATOM 0 HA ALA A 81 6.584 -11.577 6.066 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.880 -10.910 8.421 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.238 -12.562 8.267 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.952 -12.308 8.673 1.00 0.00 H new ATOM 1271 N LEU A 82 9.797 -11.502 6.261 1.00 0.00 N ATOM 1272 CA LEU A 82 10.992 -10.718 6.055 1.00 0.00 C ATOM 1273 C LEU A 82 11.492 -10.865 4.622 1.00 0.00 C ATOM 1274 O LEU A 82 12.414 -10.173 4.194 1.00 0.00 O ATOM 1275 CB LEU A 82 12.041 -11.170 7.072 1.00 0.00 C ATOM 1276 CG LEU A 82 12.609 -12.582 6.879 1.00 0.00 C ATOM 1277 CD1 LEU A 82 13.825 -12.566 5.961 1.00 0.00 C ATOM 1278 CD2 LEU A 82 12.961 -13.200 8.224 1.00 0.00 C ATOM 0 H LEU A 82 9.967 -12.504 6.349 1.00 0.00 H new ATOM 0 HA LEU A 82 10.781 -9.659 6.205 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.869 -10.462 7.048 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.601 -11.111 8.067 1.00 0.00 H new ATOM 0 HG LEU A 82 11.841 -13.193 6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 82 14.205 -13.581 5.843 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.540 -12.170 4.986 1.00 0.00 H new ATOM 0 HD13 LEU A 82 14.601 -11.936 6.396 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.363 -14.202 8.070 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.707 -12.583 8.724 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.066 -13.259 8.843 1.00 0.00 H new ATOM 1290 N LYS A 83 10.871 -11.776 3.887 1.00 0.00 N ATOM 1291 CA LYS A 83 11.248 -12.028 2.508 1.00 0.00 C ATOM 1292 C LYS A 83 10.270 -11.338 1.563 1.00 0.00 C ATOM 1293 O LYS A 83 10.488 -11.265 0.354 1.00 0.00 O ATOM 1294 CB LYS A 83 11.274 -13.534 2.245 1.00 0.00 C ATOM 1295 CG LYS A 83 11.965 -13.922 0.950 1.00 0.00 C ATOM 1296 CD LYS A 83 13.407 -13.446 0.935 1.00 0.00 C ATOM 1297 CE LYS A 83 14.138 -13.909 -0.313 1.00 0.00 C ATOM 1298 NZ LYS A 83 15.547 -13.440 -0.325 1.00 0.00 N ATOM 0 H LYS A 83 10.102 -12.354 4.226 1.00 0.00 H new ATOM 0 HA LYS A 83 12.244 -11.624 2.330 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.777 -14.029 3.076 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.250 -13.907 2.224 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.935 -15.005 0.829 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.428 -13.492 0.105 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.432 -12.358 0.988 1.00 0.00 H new ATOM 0 HD3 LYS A 83 13.923 -13.820 1.819 1.00 0.00 H new ATOM 0 HE2 LYS A 83 14.115 -14.997 -0.366 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.622 -13.536 -1.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 16.017 -13.774 -1.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 15.567 -12.401 -0.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 16.045 -13.817 0.506 1.00 0.00 H new ATOM 1312 N VAL A 84 9.188 -10.823 2.130 1.00 0.00 N ATOM 1313 CA VAL A 84 8.175 -10.132 1.349 1.00 0.00 C ATOM 1314 C VAL A 84 8.667 -8.731 1.016 1.00 0.00 C ATOM 1315 O VAL A 84 8.819 -7.904 1.906 1.00 0.00 O ATOM 1316 CB VAL A 84 6.841 -10.043 2.117 1.00 0.00 C ATOM 1317 CG1 VAL A 84 5.764 -9.397 1.257 1.00 0.00 C ATOM 1318 CG2 VAL A 84 6.407 -11.422 2.592 1.00 0.00 C ATOM 0 H VAL A 84 8.990 -10.871 3.129 1.00 0.00 H new ATOM 0 HA VAL A 84 8.001 -10.696 0.433 1.00 0.00 H new ATOM 0 HB VAL A 84 6.990 -9.413 2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.832 -9.345 1.820 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.076 -8.391 0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.612 -9.992 0.357 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.464 -11.341 3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.277 -12.079 1.732 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.169 -11.836 3.253 1.00 0.00 H new ATOM 1328 N THR A 85 8.921 -8.479 -0.262 1.00 0.00 N ATOM 1329 CA THR A 85 9.516 -7.221 -0.708 1.00 0.00 C ATOM 1330 C THR A 85 8.747 -5.995 -0.203 1.00 0.00 C ATOM 1331 O THR A 85 9.349 -4.982 0.149 1.00 0.00 O ATOM 1332 CB THR A 85 9.593 -7.186 -2.243 1.00 0.00 C ATOM 1333 OG1 THR A 85 10.098 -8.442 -2.721 1.00 0.00 O ATOM 1334 CG2 THR A 85 10.493 -6.057 -2.723 1.00 0.00 C ATOM 0 H THR A 85 8.722 -9.136 -1.017 1.00 0.00 H new ATOM 0 HA THR A 85 10.519 -7.176 -0.283 1.00 0.00 H new ATOM 0 HB THR A 85 8.591 -7.011 -2.636 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.147 -8.424 -3.700 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.528 -6.058 -3.812 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.098 -5.103 -2.373 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.499 -6.200 -2.328 1.00 0.00 H new ATOM 1342 N ALA A 86 7.424 -6.100 -0.146 1.00 0.00 N ATOM 1343 CA ALA A 86 6.587 -4.993 0.311 1.00 0.00 C ATOM 1344 C ALA A 86 6.830 -4.684 1.789 1.00 0.00 C ATOM 1345 O ALA A 86 6.856 -3.527 2.198 1.00 0.00 O ATOM 1346 CB ALA A 86 5.118 -5.312 0.071 1.00 0.00 C ATOM 0 H ALA A 86 6.907 -6.939 -0.410 1.00 0.00 H new ATOM 0 HA ALA A 86 6.857 -4.107 -0.263 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.504 -4.480 0.416 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.949 -5.471 -0.994 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.847 -6.214 0.620 1.00 0.00 H new ATOM 1352 N LEU A 87 7.056 -5.726 2.574 1.00 0.00 N ATOM 1353 CA LEU A 87 7.198 -5.577 4.017 1.00 0.00 C ATOM 1354 C LEU A 87 8.661 -5.327 4.348 1.00 0.00 C ATOM 1355 O LEU A 87 8.992 -4.515 5.212 1.00 0.00 O ATOM 1356 CB LEU A 87 6.678 -6.838 4.732 1.00 0.00 C ATOM 1357 CG LEU A 87 6.175 -6.644 6.174 1.00 0.00 C ATOM 1358 CD1 LEU A 87 7.321 -6.341 7.128 1.00 0.00 C ATOM 1359 CD2 LEU A 87 5.126 -5.539 6.233 1.00 0.00 C ATOM 0 H LEU A 87 7.145 -6.685 2.238 1.00 0.00 H new ATOM 0 HA LEU A 87 6.607 -4.729 4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.865 -7.257 4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.478 -7.579 4.745 1.00 0.00 H new ATOM 0 HG LEU A 87 5.715 -7.580 6.492 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.930 -6.210 8.137 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.031 -7.168 7.119 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.825 -5.427 6.813 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.783 -5.417 7.260 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.563 -4.604 5.883 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.281 -5.805 5.598 1.00 0.00 H new ATOM 1371 N LYS A 88 9.533 -6.018 3.625 1.00 0.00 N ATOM 1372 CA LYS A 88 10.967 -5.844 3.770 1.00 0.00 C ATOM 1373 C LYS A 88 11.358 -4.412 3.436 1.00 0.00 C ATOM 1374 O LYS A 88 12.227 -3.831 4.085 1.00 0.00 O ATOM 1375 CB LYS A 88 11.716 -6.833 2.868 1.00 0.00 C ATOM 1376 CG LYS A 88 13.226 -6.655 2.881 1.00 0.00 C ATOM 1377 CD LYS A 88 13.923 -7.763 2.106 1.00 0.00 C ATOM 1378 CE LYS A 88 15.430 -7.562 2.065 1.00 0.00 C ATOM 1379 NZ LYS A 88 16.007 -7.367 3.422 1.00 0.00 N ATOM 0 H LYS A 88 9.265 -6.711 2.926 1.00 0.00 H new ATOM 0 HA LYS A 88 11.244 -6.045 4.805 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.477 -7.849 3.182 1.00 0.00 H new ATOM 0 HB3 LYS A 88 11.355 -6.722 1.845 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.484 -5.689 2.448 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.584 -6.648 3.910 1.00 0.00 H new ATOM 0 HD2 LYS A 88 13.697 -8.725 2.565 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.533 -7.796 1.089 1.00 0.00 H new ATOM 0 HE2 LYS A 88 15.898 -8.427 1.594 1.00 0.00 H new ATOM 0 HE3 LYS A 88 15.663 -6.696 1.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 17.042 -7.454 3.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 15.755 -6.421 3.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 15.628 -8.089 4.067 1.00 0.00 H new ATOM 1393 N LYS A 89 10.694 -3.832 2.439 1.00 0.00 N ATOM 1394 CA LYS A 89 10.964 -2.448 2.064 1.00 0.00 C ATOM 1395 C LYS A 89 10.402 -1.518 3.111 1.00 0.00 C ATOM 1396 O LYS A 89 11.055 -0.561 3.497 1.00 0.00 O ATOM 1397 CB LYS A 89 10.349 -2.101 0.713 1.00 0.00 C ATOM 1398 CG LYS A 89 11.039 -0.945 0.010 1.00 0.00 C ATOM 1399 CD LYS A 89 10.354 -0.611 -1.302 1.00 0.00 C ATOM 1400 CE LYS A 89 11.098 0.479 -2.049 1.00 0.00 C ATOM 1401 NZ LYS A 89 12.468 0.049 -2.430 1.00 0.00 N ATOM 0 H LYS A 89 9.974 -4.293 1.883 1.00 0.00 H new ATOM 0 HA LYS A 89 12.045 -2.330 1.991 1.00 0.00 H new ATOM 0 HB2 LYS A 89 10.386 -2.980 0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 89 9.297 -1.853 0.855 1.00 0.00 H new ATOM 0 HG2 LYS A 89 11.036 -0.068 0.658 1.00 0.00 H new ATOM 0 HG3 LYS A 89 12.082 -1.200 -0.176 1.00 0.00 H new ATOM 0 HD2 LYS A 89 10.295 -1.505 -1.922 1.00 0.00 H new ATOM 0 HD3 LYS A 89 9.331 -0.289 -1.109 1.00 0.00 H new ATOM 0 HE2 LYS A 89 10.540 0.752 -2.945 1.00 0.00 H new ATOM 0 HE3 LYS A 89 11.157 1.372 -1.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 12.831 0.671 -3.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 13.093 0.106 -1.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 12.441 -0.931 -2.776 1.00 0.00 H new ATOM 1415 N TYR A 90 9.195 -1.814 3.567 1.00 0.00 N ATOM 1416 CA TYR A 90 8.538 -0.995 4.571 1.00 0.00 C ATOM 1417 C TYR A 90 9.388 -0.897 5.835 1.00 0.00 C ATOM 1418 O TYR A 90 9.713 0.197 6.292 1.00 0.00 O ATOM 1419 CB TYR A 90 7.162 -1.574 4.906 1.00 0.00 C ATOM 1420 CG TYR A 90 6.394 -0.753 5.913 1.00 0.00 C ATOM 1421 CD1 TYR A 90 5.875 0.486 5.570 1.00 0.00 C ATOM 1422 CD2 TYR A 90 6.189 -1.218 7.207 1.00 0.00 C ATOM 1423 CE1 TYR A 90 5.178 1.244 6.487 1.00 0.00 C ATOM 1424 CE2 TYR A 90 5.487 -0.465 8.129 1.00 0.00 C ATOM 1425 CZ TYR A 90 4.986 0.764 7.764 1.00 0.00 C ATOM 1426 OH TYR A 90 4.289 1.522 8.675 1.00 0.00 O ATOM 0 H TYR A 90 8.650 -2.618 3.256 1.00 0.00 H new ATOM 0 HA TYR A 90 8.413 0.008 4.164 1.00 0.00 H new ATOM 0 HB2 TYR A 90 6.576 -1.652 3.990 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.286 -2.586 5.292 1.00 0.00 H new ATOM 0 HD1 TYR A 90 6.019 0.864 4.568 1.00 0.00 H new ATOM 0 HD2 TYR A 90 6.584 -2.181 7.496 1.00 0.00 H new ATOM 0 HE1 TYR A 90 4.784 2.210 6.205 1.00 0.00 H new ATOM 0 HE2 TYR A 90 5.332 -0.839 9.130 1.00 0.00 H new ATOM 0 HH TYR A 90 4.240 1.044 9.529 1.00 0.00 H new ATOM 1436 N ARG A 91 9.766 -2.046 6.378 1.00 0.00 N ATOM 1437 CA ARG A 91 10.520 -2.098 7.626 1.00 0.00 C ATOM 1438 C ARG A 91 11.912 -1.498 7.437 1.00 0.00 C ATOM 1439 O ARG A 91 12.480 -0.908 8.358 1.00 0.00 O ATOM 1440 CB ARG A 91 10.613 -3.542 8.118 1.00 0.00 C ATOM 1441 CG ARG A 91 10.750 -3.661 9.625 1.00 0.00 C ATOM 1442 CD ARG A 91 10.633 -5.106 10.079 1.00 0.00 C ATOM 1443 NE ARG A 91 10.399 -5.206 11.517 1.00 0.00 N ATOM 1444 CZ ARG A 91 10.393 -6.352 12.193 1.00 0.00 C ATOM 1445 NH1 ARG A 91 10.670 -7.492 11.577 1.00 0.00 N ATOM 1446 NH2 ARG A 91 10.118 -6.353 13.491 1.00 0.00 N ATOM 0 H ARG A 91 9.562 -2.960 5.973 1.00 0.00 H new ATOM 0 HA ARG A 91 9.999 -1.507 8.379 1.00 0.00 H new ATOM 0 HB2 ARG A 91 9.723 -4.084 7.798 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.468 -4.024 7.644 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.713 -3.256 9.938 1.00 0.00 H new ATOM 0 HG3 ARG A 91 9.980 -3.062 10.111 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.816 -5.590 9.543 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.546 -5.643 9.821 1.00 0.00 H new ATOM 0 HE ARG A 91 10.230 -4.344 12.035 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.889 -7.493 10.581 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.664 -8.368 12.099 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.912 -5.476 13.969 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.113 -7.231 14.011 1.00 0.00 H new ATOM 1460 N GLN A 92 12.452 -1.652 6.233 1.00 0.00 N ATOM 1461 CA GLN A 92 13.724 -1.037 5.865 1.00 0.00 C ATOM 1462 C GLN A 92 13.582 0.480 5.780 1.00 0.00 C ATOM 1463 O GLN A 92 14.392 1.223 6.321 1.00 0.00 O ATOM 1464 CB GLN A 92 14.183 -1.573 4.505 1.00 0.00 C ATOM 1465 CG GLN A 92 15.441 -0.915 3.961 1.00 0.00 C ATOM 1466 CD GLN A 92 15.637 -1.179 2.478 1.00 0.00 C ATOM 1467 OE1 GLN A 92 16.765 -1.255 1.990 1.00 0.00 O ATOM 1468 NE2 GLN A 92 14.537 -1.309 1.749 1.00 0.00 N ATOM 0 H GLN A 92 12.024 -2.203 5.488 1.00 0.00 H new ATOM 0 HA GLN A 92 14.460 -1.284 6.630 1.00 0.00 H new ATOM 0 HB2 GLN A 92 14.357 -2.646 4.591 1.00 0.00 H new ATOM 0 HB3 GLN A 92 13.377 -1.438 3.784 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.389 0.160 4.132 1.00 0.00 H new ATOM 0 HG3 GLN A 92 16.307 -1.283 4.511 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.621 -1.239 2.192 1.00 0.00 H new ATOM 0 HE22 GLN A 92 14.607 -1.479 0.746 1.00 0.00 H new ATOM 1477 N LEU A 93 12.530 0.913 5.101 1.00 0.00 N ATOM 1478 CA LEU A 93 12.300 2.321 4.801 1.00 0.00 C ATOM 1479 C LEU A 93 12.119 3.162 6.070 1.00 0.00 C ATOM 1480 O LEU A 93 12.520 4.325 6.115 1.00 0.00 O ATOM 1481 CB LEU A 93 11.071 2.440 3.890 1.00 0.00 C ATOM 1482 CG LEU A 93 10.588 3.867 3.609 1.00 0.00 C ATOM 1483 CD1 LEU A 93 11.599 4.615 2.754 1.00 0.00 C ATOM 1484 CD2 LEU A 93 9.223 3.849 2.940 1.00 0.00 C ATOM 0 H LEU A 93 11.805 0.293 4.739 1.00 0.00 H new ATOM 0 HA LEU A 93 13.180 2.714 4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.299 1.959 2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.251 1.881 4.341 1.00 0.00 H new ATOM 0 HG LEU A 93 10.493 4.391 4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.238 5.626 2.565 1.00 0.00 H new ATOM 0 HD12 LEU A 93 12.554 4.662 3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 93 11.730 4.094 1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 93 8.898 4.872 2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.287 3.306 1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 93 8.504 3.356 3.594 1.00 0.00 H new