USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 790 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 84 THR OG1 : rot -73:sc= 0.234 USER MOD Set 1.2: A 87 GLN : amide:sc= 0.46 K(o=0.69,f=-3.9!) USER MOD Set 2.1: A 71 THR OG1 : rot -160:sc= -0.0212 USER MOD Set 2.2: A 110 MET CE :methyl 174:sc= -5.91! (180deg=-6.06!) USER MOD Single : A 15 MET CE :methyl -179:sc= 0 (180deg=-0.000826) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.69! C(o=-1.7!,f=-9!) USER MOD Single : A 21 CYS SG : rot 20:sc= -0.203 USER MOD Single : A 26 THR OG1 : rot 151:sc= 0.652 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -118:sc= -0.761 (180deg=-1.27) USER MOD Single : A 53 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -7.28! C(o=-7.3!,f=-8.8!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0.0225 X(o=0.022,f=0) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 75 HIS : no HD1:sc= -6.71! C(o=-6.7!,f=-3.9!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -15:sc= 0.503! USER MOD Single : A 89 TYR OH : rot -97:sc= -0.247 USER MOD Single : A 90 GLN : amide:sc= -0.0553 X(o=-0.055,f=-0.26) USER MOD Single : A 94 GLN : amide:sc= -4.6! C(o=-4.6!,f=-6.9!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 32:sc= 0.398 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ -159:sc= -0.0525 (180deg=-0.373) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 171 N ILE A 14 19.261 -19.173 5.609 1.00 0.00 N ATOM 172 CA ILE A 14 17.920 -18.602 5.586 1.00 0.00 C ATOM 173 C ILE A 14 17.963 -17.110 5.276 1.00 0.00 C ATOM 174 O ILE A 14 18.745 -16.365 5.867 1.00 0.00 O ATOM 175 CB ILE A 14 17.195 -18.816 6.928 1.00 0.00 C ATOM 176 CG1 ILE A 14 17.149 -20.306 7.277 1.00 0.00 C ATOM 177 CG2 ILE A 14 15.789 -18.236 6.869 1.00 0.00 C ATOM 178 CD1 ILE A 14 16.933 -20.575 8.749 1.00 0.00 C ATOM 0 HA ILE A 14 17.370 -19.118 4.799 1.00 0.00 H new ATOM 0 HB ILE A 14 17.749 -18.296 7.710 1.00 0.00 H new ATOM 0 HG12 ILE A 14 16.349 -20.780 6.708 1.00 0.00 H new ATOM 0 HG13 ILE A 14 18.083 -20.773 6.964 1.00 0.00 H new ATOM 0 HG21 ILE A 14 15.289 -18.395 7.825 1.00 0.00 H new ATOM 0 HG22 ILE A 14 15.845 -17.167 6.662 1.00 0.00 H new ATOM 0 HG23 ILE A 14 15.225 -18.730 6.078 1.00 0.00 H new ATOM 0 HD11 ILE A 14 16.911 -21.651 8.923 1.00 0.00 H new ATOM 0 HD12 ILE A 14 17.746 -20.131 9.323 1.00 0.00 H new ATOM 0 HD13 ILE A 14 15.986 -20.137 9.064 1.00 0.00 H new ATOM 190 N MET A 15 17.117 -16.679 4.347 1.00 0.00 N ATOM 191 CA MET A 15 17.056 -15.274 3.960 1.00 0.00 C ATOM 192 C MET A 15 15.654 -14.713 4.171 1.00 0.00 C ATOM 193 O MET A 15 14.658 -15.372 3.871 1.00 0.00 O ATOM 194 CB MET A 15 17.470 -15.108 2.497 1.00 0.00 C ATOM 195 CG MET A 15 16.451 -15.654 1.511 1.00 0.00 C ATOM 196 SD MET A 15 16.472 -17.455 1.415 1.00 0.00 S ATOM 197 CE MET A 15 16.240 -17.704 -0.343 1.00 0.00 C ATOM 0 H MET A 15 16.464 -17.282 3.848 1.00 0.00 H new ATOM 0 HA MET A 15 17.749 -14.718 4.591 1.00 0.00 H new ATOM 0 HB2 MET A 15 17.631 -14.050 2.292 1.00 0.00 H new ATOM 0 HB3 MET A 15 18.423 -15.612 2.338 1.00 0.00 H new ATOM 0 HG2 MET A 15 15.455 -15.321 1.803 1.00 0.00 H new ATOM 0 HG3 MET A 15 16.649 -15.239 0.523 1.00 0.00 H new ATOM 0 HE1 MET A 15 16.213 -18.772 -0.559 1.00 0.00 H new ATOM 0 HE2 MET A 15 15.301 -17.247 -0.654 1.00 0.00 H new ATOM 0 HE3 MET A 15 17.065 -17.245 -0.888 1.00 0.00 H new ATOM 207 N THR A 16 15.582 -13.491 4.690 1.00 0.00 N ATOM 208 CA THR A 16 14.302 -12.842 4.943 1.00 0.00 C ATOM 209 C THR A 16 13.916 -11.920 3.792 1.00 0.00 C ATOM 210 O THR A 16 14.605 -10.937 3.512 1.00 0.00 O ATOM 211 CB THR A 16 14.334 -12.027 6.250 1.00 0.00 C ATOM 212 OG1 THR A 16 15.120 -12.708 7.234 1.00 0.00 O ATOM 213 CG2 THR A 16 12.926 -11.804 6.783 1.00 0.00 C ATOM 0 H THR A 16 16.396 -12.931 4.943 1.00 0.00 H new ATOM 0 HA THR A 16 13.559 -13.634 5.035 1.00 0.00 H new ATOM 0 HB THR A 16 14.783 -11.057 6.036 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.136 -12.182 8.061 1.00 0.00 H new ATOM 0 HG21 THR A 16 12.974 -11.226 7.706 1.00 0.00 H new ATOM 0 HG22 THR A 16 12.339 -11.259 6.044 1.00 0.00 H new ATOM 0 HG23 THR A 16 12.455 -12.767 6.981 1.00 0.00 H new ATOM 221 N LEU A 17 12.813 -12.242 3.125 1.00 0.00 N ATOM 222 CA LEU A 17 12.335 -11.441 2.004 1.00 0.00 C ATOM 223 C LEU A 17 11.011 -10.763 2.344 1.00 0.00 C ATOM 224 O LEU A 17 10.053 -11.420 2.750 1.00 0.00 O ATOM 225 CB LEU A 17 12.168 -12.318 0.761 1.00 0.00 C ATOM 226 CG LEU A 17 13.438 -12.586 -0.047 1.00 0.00 C ATOM 227 CD1 LEU A 17 14.564 -13.043 0.866 1.00 0.00 C ATOM 228 CD2 LEU A 17 13.172 -13.621 -1.131 1.00 0.00 C ATOM 0 H LEU A 17 12.233 -13.053 3.341 1.00 0.00 H new ATOM 0 HA LEU A 17 13.075 -10.668 1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.749 -13.276 1.070 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.436 -11.847 0.104 1.00 0.00 H new ATOM 0 HG LEU A 17 13.743 -11.657 -0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 17 15.460 -13.229 0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.771 -12.268 1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.269 -13.960 1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 17 14.087 -13.799 -1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 17 12.842 -14.553 -0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.396 -13.253 -1.803 1.00 0.00 H new ATOM 240 N GLN A 18 10.967 -9.445 2.173 1.00 0.00 N ATOM 241 CA GLN A 18 9.760 -8.679 2.460 1.00 0.00 C ATOM 242 C GLN A 18 9.038 -8.298 1.172 1.00 0.00 C ATOM 243 O GLN A 18 9.376 -7.318 0.509 1.00 0.00 O ATOM 244 CB GLN A 18 10.108 -7.419 3.256 1.00 0.00 C ATOM 245 CG GLN A 18 10.816 -7.706 4.571 1.00 0.00 C ATOM 246 CD GLN A 18 12.319 -7.815 4.413 1.00 0.00 C ATOM 247 OE1 GLN A 18 12.820 -8.706 3.726 1.00 0.00 O ATOM 248 NE2 GLN A 18 13.050 -6.906 5.048 1.00 0.00 N ATOM 0 H GLN A 18 11.752 -8.887 1.838 1.00 0.00 H new ATOM 0 HA GLN A 18 9.095 -9.305 3.056 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.742 -6.776 2.645 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.193 -6.863 3.460 1.00 0.00 H new ATOM 0 HG2 GLN A 18 10.586 -6.914 5.283 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.430 -8.635 4.992 1.00 0.00 H new ATOM 0 HE21 GLN A 18 12.594 -6.185 5.607 1.00 0.00 H new ATOM 0 HE22 GLN A 18 14.067 -6.929 4.977 1.00 0.00 H new ATOM 257 N PRO A 19 8.018 -9.090 0.809 1.00 0.00 N ATOM 258 CA PRO A 19 7.226 -8.856 -0.402 1.00 0.00 C ATOM 259 C PRO A 19 6.350 -7.613 -0.290 1.00 0.00 C ATOM 260 O PRO A 19 5.216 -7.683 0.184 1.00 0.00 O ATOM 261 CB PRO A 19 6.360 -10.114 -0.508 1.00 0.00 C ATOM 262 CG PRO A 19 6.255 -10.621 0.888 1.00 0.00 C ATOM 263 CD PRO A 19 7.559 -10.275 1.553 1.00 0.00 C ATOM 0 HA PRO A 19 7.856 -8.681 -1.274 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.378 -9.885 -0.921 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.817 -10.855 -1.165 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.416 -10.159 1.409 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.084 -11.697 0.901 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.424 -10.057 2.612 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.275 -11.094 1.485 1.00 0.00 H new ATOM 271 N ARG A 20 6.882 -6.477 -0.729 1.00 0.00 N ATOM 272 CA ARG A 20 6.148 -5.219 -0.677 1.00 0.00 C ATOM 273 C ARG A 20 5.676 -4.807 -2.068 1.00 0.00 C ATOM 274 O ARG A 20 6.234 -5.239 -3.077 1.00 0.00 O ATOM 275 CB ARG A 20 7.023 -4.118 -0.076 1.00 0.00 C ATOM 276 CG ARG A 20 8.197 -3.724 -0.957 1.00 0.00 C ATOM 277 CD ARG A 20 8.722 -2.343 -0.600 1.00 0.00 C ATOM 278 NE ARG A 20 9.428 -1.719 -1.716 1.00 0.00 N ATOM 279 CZ ARG A 20 10.694 -1.980 -2.022 1.00 0.00 C ATOM 280 NH1 ARG A 20 11.389 -2.847 -1.300 1.00 0.00 N ATOM 281 NH2 ARG A 20 11.266 -1.373 -3.055 1.00 0.00 N ATOM 0 H ARG A 20 7.819 -6.402 -1.125 1.00 0.00 H new ATOM 0 HA ARG A 20 5.273 -5.364 -0.044 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.408 -3.238 0.110 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.401 -4.453 0.890 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.996 -4.457 -0.849 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.890 -3.739 -2.003 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.891 -1.707 -0.296 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.393 -2.421 0.255 1.00 0.00 H new ATOM 0 HE ARG A 20 8.921 -1.046 -2.292 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.952 -3.316 -0.507 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.361 -3.045 -1.538 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.733 -0.706 -3.614 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.238 -1.573 -3.290 1.00 0.00 H new ATOM 295 N CYS A 21 4.647 -3.969 -2.114 1.00 0.00 N ATOM 296 CA CYS A 21 4.099 -3.498 -3.382 1.00 0.00 C ATOM 297 C CYS A 21 3.693 -2.032 -3.288 1.00 0.00 C ATOM 298 O CYS A 21 3.152 -1.592 -2.273 1.00 0.00 O ATOM 299 CB CYS A 21 2.896 -4.349 -3.788 1.00 0.00 C ATOM 300 SG CYS A 21 3.331 -5.900 -4.611 1.00 0.00 S ATOM 0 H CYS A 21 4.175 -3.601 -1.288 1.00 0.00 H new ATOM 0 HA CYS A 21 4.874 -3.592 -4.142 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.308 -4.575 -2.899 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.259 -3.765 -4.452 1.00 0.00 H new ATOM 0 HG CYS A 21 4.564 -6.206 -4.336 1.00 0.00 H new ATOM 306 N GLU A 22 3.957 -1.280 -4.352 1.00 0.00 N ATOM 307 CA GLU A 22 3.620 0.139 -4.387 1.00 0.00 C ATOM 308 C GLU A 22 2.843 0.483 -5.655 1.00 0.00 C ATOM 309 O GLU A 22 3.083 -0.092 -6.717 1.00 0.00 O ATOM 310 CB GLU A 22 4.889 0.990 -4.307 1.00 0.00 C ATOM 311 CG GLU A 22 5.706 0.747 -3.049 1.00 0.00 C ATOM 312 CD GLU A 22 6.789 1.788 -2.847 1.00 0.00 C ATOM 313 OE1 GLU A 22 7.572 2.022 -3.792 1.00 0.00 O ATOM 314 OE2 GLU A 22 6.855 2.370 -1.744 1.00 0.00 O ATOM 0 H GLU A 22 4.403 -1.629 -5.200 1.00 0.00 H new ATOM 0 HA GLU A 22 2.990 0.357 -3.525 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.510 0.784 -5.179 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.613 2.044 -4.353 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.043 0.746 -2.184 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.163 -0.241 -3.102 1.00 0.00 H new ATOM 321 N ASP A 23 1.912 1.421 -5.534 1.00 0.00 N ATOM 322 CA ASP A 23 1.100 1.843 -6.671 1.00 0.00 C ATOM 323 C ASP A 23 0.348 0.658 -7.270 1.00 0.00 C ATOM 324 O ASP A 23 0.300 0.492 -8.488 1.00 0.00 O ATOM 325 CB ASP A 23 1.978 2.498 -7.738 1.00 0.00 C ATOM 326 CG ASP A 23 2.644 3.766 -7.240 1.00 0.00 C ATOM 327 OD1 ASP A 23 2.051 4.449 -6.379 1.00 0.00 O ATOM 328 OD2 ASP A 23 3.758 4.076 -7.713 1.00 0.00 O ATOM 0 H ASP A 23 1.700 1.904 -4.661 1.00 0.00 H new ATOM 0 HA ASP A 23 0.371 2.571 -6.315 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.743 1.791 -8.059 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.370 2.729 -8.613 1.00 0.00 H new ATOM 333 N VAL A 24 -0.238 -0.163 -6.404 1.00 0.00 N ATOM 334 CA VAL A 24 -0.988 -1.332 -6.848 1.00 0.00 C ATOM 335 C VAL A 24 -2.486 -1.131 -6.650 1.00 0.00 C ATOM 336 O VAL A 24 -3.080 -1.688 -5.727 1.00 0.00 O ATOM 337 CB VAL A 24 -0.547 -2.600 -6.094 1.00 0.00 C ATOM 338 CG1 VAL A 24 0.846 -3.026 -6.533 1.00 0.00 C ATOM 339 CG2 VAL A 24 -0.594 -2.370 -4.591 1.00 0.00 C ATOM 0 H VAL A 24 -0.208 -0.040 -5.392 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.779 -1.459 -7.910 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.240 -3.405 -6.337 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.140 -3.924 -5.989 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.842 -3.235 -7.603 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.555 -2.225 -6.322 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.279 -3.277 -4.074 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.075 -1.551 -4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.612 -2.117 -4.293 1.00 0.00 H new ATOM 349 N GLU A 25 -3.092 -0.333 -7.523 1.00 0.00 N ATOM 350 CA GLU A 25 -4.521 -0.058 -7.443 1.00 0.00 C ATOM 351 C GLU A 25 -5.297 -1.317 -7.064 1.00 0.00 C ATOM 352 O GLU A 25 -5.197 -2.347 -7.732 1.00 0.00 O ATOM 353 CB GLU A 25 -5.034 0.486 -8.778 1.00 0.00 C ATOM 354 CG GLU A 25 -4.355 1.775 -9.211 1.00 0.00 C ATOM 355 CD GLU A 25 -5.227 2.618 -10.121 1.00 0.00 C ATOM 356 OE1 GLU A 25 -6.467 2.492 -10.036 1.00 0.00 O ATOM 357 OE2 GLU A 25 -4.671 3.402 -10.918 1.00 0.00 O ATOM 0 H GLU A 25 -2.615 0.134 -8.294 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.677 0.693 -6.668 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.886 -0.270 -9.550 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.108 0.658 -8.702 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.090 2.356 -8.328 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.424 1.536 -9.726 1.00 0.00 H new ATOM 364 N THR A 26 -6.069 -1.227 -5.986 1.00 0.00 N ATOM 365 CA THR A 26 -6.860 -2.357 -5.515 1.00 0.00 C ATOM 366 C THR A 26 -7.980 -2.690 -6.494 1.00 0.00 C ATOM 367 O THR A 26 -8.076 -2.095 -7.566 1.00 0.00 O ATOM 368 CB THR A 26 -7.470 -2.078 -4.129 1.00 0.00 C ATOM 369 OG1 THR A 26 -8.354 -0.953 -4.200 1.00 0.00 O ATOM 370 CG2 THR A 26 -6.380 -1.809 -3.103 1.00 0.00 C ATOM 0 H THR A 26 -6.163 -0.382 -5.422 1.00 0.00 H new ATOM 0 HA THR A 26 -6.182 -3.207 -5.440 1.00 0.00 H new ATOM 0 HB THR A 26 -8.030 -2.960 -3.818 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.057 -1.047 -3.524 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.835 -1.615 -2.132 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.726 -2.678 -3.030 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.797 -0.941 -3.411 1.00 0.00 H new ATOM 378 N ALA A 27 -8.826 -3.642 -6.116 1.00 0.00 N ATOM 379 CA ALA A 27 -9.943 -4.051 -6.960 1.00 0.00 C ATOM 380 C ALA A 27 -10.741 -2.842 -7.438 1.00 0.00 C ATOM 381 O ALA A 27 -10.943 -2.657 -8.638 1.00 0.00 O ATOM 382 CB ALA A 27 -10.845 -5.018 -6.208 1.00 0.00 C ATOM 0 H ALA A 27 -8.760 -4.145 -5.231 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.539 -4.556 -7.837 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.675 -5.315 -6.849 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.273 -5.901 -5.922 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.234 -4.532 -5.313 1.00 0.00 H new ATOM 388 N GLU A 28 -11.192 -2.025 -6.492 1.00 0.00 N ATOM 389 CA GLU A 28 -11.969 -0.835 -6.819 1.00 0.00 C ATOM 390 C GLU A 28 -11.095 0.218 -7.494 1.00 0.00 C ATOM 391 O GLU A 28 -11.598 1.158 -8.107 1.00 0.00 O ATOM 392 CB GLU A 28 -12.605 -0.251 -5.556 1.00 0.00 C ATOM 393 CG GLU A 28 -11.624 -0.066 -4.410 1.00 0.00 C ATOM 394 CD GLU A 28 -11.536 -1.288 -3.515 1.00 0.00 C ATOM 395 OE1 GLU A 28 -12.516 -1.568 -2.795 1.00 0.00 O ATOM 396 OE2 GLU A 28 -10.484 -1.962 -3.536 1.00 0.00 O ATOM 0 H GLU A 28 -11.033 -2.165 -5.494 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.757 -1.127 -7.513 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.054 0.712 -5.798 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.413 -0.906 -5.230 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.636 0.156 -4.814 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.925 0.795 -3.814 1.00 0.00 H new ATOM 403 N GLY A 29 -9.781 0.052 -7.376 1.00 0.00 N ATOM 404 CA GLY A 29 -8.857 0.995 -7.979 1.00 0.00 C ATOM 405 C GLY A 29 -8.242 1.935 -6.962 1.00 0.00 C ATOM 406 O GLY A 29 -8.196 3.147 -7.173 1.00 0.00 O ATOM 0 H GLY A 29 -9.340 -0.718 -6.874 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.064 0.447 -8.488 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.380 1.577 -8.737 1.00 0.00 H new ATOM 410 N VAL A 30 -7.769 1.377 -5.851 1.00 0.00 N ATOM 411 CA VAL A 30 -7.154 2.173 -4.797 1.00 0.00 C ATOM 412 C VAL A 30 -5.715 1.736 -4.546 1.00 0.00 C ATOM 413 O VAL A 30 -5.468 0.704 -3.924 1.00 0.00 O ATOM 414 CB VAL A 30 -7.947 2.070 -3.481 1.00 0.00 C ATOM 415 CG1 VAL A 30 -7.299 2.919 -2.398 1.00 0.00 C ATOM 416 CG2 VAL A 30 -9.395 2.482 -3.699 1.00 0.00 C ATOM 0 H VAL A 30 -7.801 0.376 -5.659 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.162 3.208 -5.137 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.934 1.032 -3.150 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.874 2.833 -1.476 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.280 2.572 -2.224 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.278 3.961 -2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.941 2.403 -2.759 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.431 3.512 -4.054 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.852 1.826 -4.440 1.00 0.00 H new ATOM 426 N ALA A 31 -4.768 2.530 -5.034 1.00 0.00 N ATOM 427 CA ALA A 31 -3.352 2.227 -4.860 1.00 0.00 C ATOM 428 C ALA A 31 -2.981 2.170 -3.382 1.00 0.00 C ATOM 429 O ALA A 31 -2.966 3.193 -2.696 1.00 0.00 O ATOM 430 CB ALA A 31 -2.499 3.260 -5.582 1.00 0.00 C ATOM 0 H ALA A 31 -4.955 3.388 -5.553 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.159 1.246 -5.294 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.444 3.022 -5.444 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.737 3.249 -6.646 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.704 4.250 -5.174 1.00 0.00 H new ATOM 436 N LEU A 32 -2.681 0.970 -2.898 1.00 0.00 N ATOM 437 CA LEU A 32 -2.309 0.780 -1.501 1.00 0.00 C ATOM 438 C LEU A 32 -0.851 0.350 -1.379 1.00 0.00 C ATOM 439 O LEU A 32 -0.302 -0.288 -2.278 1.00 0.00 O ATOM 440 CB LEU A 32 -3.217 -0.264 -0.849 1.00 0.00 C ATOM 441 CG LEU A 32 -4.461 0.276 -0.142 1.00 0.00 C ATOM 442 CD1 LEU A 32 -4.072 1.036 1.117 1.00 0.00 C ATOM 443 CD2 LEU A 32 -5.263 1.167 -1.079 1.00 0.00 C ATOM 0 H LEU A 32 -2.688 0.114 -3.453 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.432 1.732 -0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.537 -0.968 -1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.628 -0.827 -0.125 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.086 -0.569 0.147 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.970 1.413 1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.542 0.368 1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.425 1.872 0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.144 1.542 -0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.646 2.007 -1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.574 0.592 -1.951 1.00 0.00 H new ATOM 455 N THR A 33 -0.227 0.702 -0.259 1.00 0.00 N ATOM 456 CA THR A 33 1.168 0.352 -0.018 1.00 0.00 C ATOM 457 C THR A 33 1.287 -0.718 1.061 1.00 0.00 C ATOM 458 O THR A 33 1.131 -0.436 2.249 1.00 0.00 O ATOM 459 CB THR A 33 1.991 1.584 0.402 1.00 0.00 C ATOM 460 OG1 THR A 33 1.675 2.697 -0.441 1.00 0.00 O ATOM 461 CG2 THR A 33 3.482 1.290 0.325 1.00 0.00 C ATOM 0 H THR A 33 -0.666 1.229 0.496 1.00 0.00 H new ATOM 0 HA THR A 33 1.564 -0.037 -0.956 1.00 0.00 H new ATOM 0 HB THR A 33 1.737 1.828 1.434 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.202 3.476 -0.165 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.043 2.175 0.626 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.724 0.462 0.991 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.748 1.022 -0.698 1.00 0.00 H new ATOM 469 N VAL A 34 1.566 -1.948 0.639 1.00 0.00 N ATOM 470 CA VAL A 34 1.709 -3.061 1.570 1.00 0.00 C ATOM 471 C VAL A 34 3.156 -3.535 1.641 1.00 0.00 C ATOM 472 O VAL A 34 3.729 -3.969 0.642 1.00 0.00 O ATOM 473 CB VAL A 34 0.810 -4.246 1.170 1.00 0.00 C ATOM 474 CG1 VAL A 34 0.988 -5.403 2.142 1.00 0.00 C ATOM 475 CG2 VAL A 34 -0.646 -3.812 1.105 1.00 0.00 C ATOM 0 H VAL A 34 1.697 -2.198 -0.341 1.00 0.00 H new ATOM 0 HA VAL A 34 1.401 -2.696 2.550 1.00 0.00 H new ATOM 0 HB VAL A 34 1.108 -4.587 0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.345 -6.231 1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.028 -5.729 2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.719 -5.079 3.147 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.267 -4.662 0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.960 -3.444 2.082 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.757 -3.019 0.366 1.00 0.00 H new ATOM 485 N THR A 35 3.743 -3.451 2.831 1.00 0.00 N ATOM 486 CA THR A 35 5.123 -3.870 3.033 1.00 0.00 C ATOM 487 C THR A 35 5.255 -5.386 2.946 1.00 0.00 C ATOM 488 O THR A 35 5.997 -5.908 2.114 1.00 0.00 O ATOM 489 CB THR A 35 5.660 -3.398 4.398 1.00 0.00 C ATOM 490 OG1 THR A 35 5.604 -1.969 4.479 1.00 0.00 O ATOM 491 CG2 THR A 35 7.093 -3.866 4.609 1.00 0.00 C ATOM 0 H THR A 35 3.283 -3.096 3.669 1.00 0.00 H new ATOM 0 HA THR A 35 5.712 -3.410 2.240 1.00 0.00 H new ATOM 0 HB THR A 35 5.034 -3.832 5.178 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.945 -1.677 5.350 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.450 -3.520 5.579 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.129 -4.955 4.576 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.728 -3.458 3.823 1.00 0.00 H new ATOM 499 N GLY A 36 4.531 -6.090 3.811 1.00 0.00 N ATOM 500 CA GLY A 36 4.581 -7.540 3.813 1.00 0.00 C ATOM 501 C GLY A 36 5.906 -8.073 4.322 1.00 0.00 C ATOM 502 O GLY A 36 6.959 -7.495 4.056 1.00 0.00 O ATOM 0 H GLY A 36 3.911 -5.682 4.510 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.774 -7.928 4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.409 -7.908 2.801 1.00 0.00 H new ATOM 506 N VAL A 37 5.854 -9.179 5.057 1.00 0.00 N ATOM 507 CA VAL A 37 7.059 -9.791 5.605 1.00 0.00 C ATOM 508 C VAL A 37 6.927 -11.309 5.664 1.00 0.00 C ATOM 509 O VAL A 37 6.016 -11.838 6.298 1.00 0.00 O ATOM 510 CB VAL A 37 7.367 -9.258 7.017 1.00 0.00 C ATOM 511 CG1 VAL A 37 8.495 -10.055 7.654 1.00 0.00 C ATOM 512 CG2 VAL A 37 7.712 -7.778 6.964 1.00 0.00 C ATOM 0 H VAL A 37 4.990 -9.670 5.287 1.00 0.00 H new ATOM 0 HA VAL A 37 7.879 -9.526 4.938 1.00 0.00 H new ATOM 0 HB VAL A 37 6.477 -9.378 7.634 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.699 -9.664 8.651 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.204 -11.103 7.727 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.392 -9.970 7.041 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.927 -7.418 7.970 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.587 -7.631 6.332 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.869 -7.223 6.552 1.00 0.00 H new ATOM 522 N ALA A 38 7.844 -12.003 4.998 1.00 0.00 N ATOM 523 CA ALA A 38 7.833 -13.461 4.978 1.00 0.00 C ATOM 524 C ALA A 38 9.250 -14.022 4.994 1.00 0.00 C ATOM 525 O ALA A 38 10.152 -13.471 4.362 1.00 0.00 O ATOM 526 CB ALA A 38 7.077 -13.965 3.757 1.00 0.00 C ATOM 0 H ALA A 38 8.604 -11.579 4.465 1.00 0.00 H new ATOM 0 HA ALA A 38 7.324 -13.808 5.877 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.076 -15.055 3.754 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.050 -13.601 3.789 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.563 -13.600 2.852 1.00 0.00 H new ATOM 532 N GLN A 39 9.440 -15.118 5.719 1.00 0.00 N ATOM 533 CA GLN A 39 10.749 -15.752 5.817 1.00 0.00 C ATOM 534 C GLN A 39 10.889 -16.874 4.794 1.00 0.00 C ATOM 535 O GLN A 39 9.915 -17.547 4.458 1.00 0.00 O ATOM 536 CB GLN A 39 10.969 -16.302 7.228 1.00 0.00 C ATOM 537 CG GLN A 39 12.412 -16.687 7.514 1.00 0.00 C ATOM 538 CD GLN A 39 12.776 -16.539 8.977 1.00 0.00 C ATOM 539 OE1 GLN A 39 12.163 -17.159 9.847 1.00 0.00 O ATOM 540 NE2 GLN A 39 13.779 -15.715 9.258 1.00 0.00 N ATOM 0 H GLN A 39 8.704 -15.586 6.248 1.00 0.00 H new ATOM 0 HA GLN A 39 11.506 -14.997 5.607 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.651 -15.554 7.954 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.333 -17.176 7.371 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.577 -17.719 7.205 1.00 0.00 H new ATOM 0 HG3 GLN A 39 13.076 -16.065 6.914 1.00 0.00 H new ATOM 0 HE21 GLN A 39 14.259 -15.221 8.506 1.00 0.00 H new ATOM 0 HE22 GLN A 39 14.069 -15.576 10.226 1.00 0.00 H new ATOM 549 N VAL A 40 12.108 -17.071 4.301 1.00 0.00 N ATOM 550 CA VAL A 40 12.376 -18.112 3.316 1.00 0.00 C ATOM 551 C VAL A 40 13.786 -18.669 3.474 1.00 0.00 C ATOM 552 O VAL A 40 14.650 -18.038 4.085 1.00 0.00 O ATOM 553 CB VAL A 40 12.203 -17.584 1.879 1.00 0.00 C ATOM 554 CG1 VAL A 40 13.323 -16.618 1.526 1.00 0.00 C ATOM 555 CG2 VAL A 40 12.150 -18.738 0.890 1.00 0.00 C ATOM 0 H VAL A 40 12.926 -16.523 4.568 1.00 0.00 H new ATOM 0 HA VAL A 40 11.652 -18.908 3.493 1.00 0.00 H new ATOM 0 HB VAL A 40 11.259 -17.043 1.821 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.184 -16.256 0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 40 13.307 -15.775 2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.282 -17.130 1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.028 -18.346 -0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.076 -19.309 0.948 1.00 0.00 H new ATOM 0 HG23 VAL A 40 11.308 -19.386 1.132 1.00 0.00 H new ATOM 565 N LYS A 41 14.014 -19.854 2.919 1.00 0.00 N ATOM 566 CA LYS A 41 15.321 -20.497 2.996 1.00 0.00 C ATOM 567 C LYS A 41 15.526 -21.452 1.826 1.00 0.00 C ATOM 568 O LYS A 41 14.565 -21.893 1.195 1.00 0.00 O ATOM 569 CB LYS A 41 15.461 -21.256 4.318 1.00 0.00 C ATOM 570 CG LYS A 41 14.612 -22.512 4.392 1.00 0.00 C ATOM 571 CD LYS A 41 15.255 -23.569 5.275 1.00 0.00 C ATOM 572 CE LYS A 41 14.529 -24.901 5.168 1.00 0.00 C ATOM 573 NZ LYS A 41 15.419 -26.045 5.508 1.00 0.00 N ATOM 0 H LYS A 41 13.310 -20.389 2.410 1.00 0.00 H new ATOM 0 HA LYS A 41 16.084 -19.721 2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.507 -21.526 4.463 1.00 0.00 H new ATOM 0 HB3 LYS A 41 15.186 -20.593 5.138 1.00 0.00 H new ATOM 0 HG2 LYS A 41 13.625 -22.263 4.782 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.467 -22.914 3.389 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.299 -23.698 4.989 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.248 -23.232 6.312 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.667 -24.900 5.836 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.147 -25.026 4.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.888 -26.935 5.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.228 -26.061 4.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.763 -25.939 6.484 1.00 0.00 H new ATOM 587 N ILE A 42 16.785 -21.769 1.541 1.00 0.00 N ATOM 588 CA ILE A 42 17.117 -22.674 0.447 1.00 0.00 C ATOM 589 C ILE A 42 16.899 -24.128 0.853 1.00 0.00 C ATOM 590 O ILE A 42 17.499 -24.611 1.813 1.00 0.00 O ATOM 591 CB ILE A 42 18.575 -22.493 -0.012 1.00 0.00 C ATOM 592 CG1 ILE A 42 18.820 -21.046 -0.446 1.00 0.00 C ATOM 593 CG2 ILE A 42 18.897 -23.454 -1.147 1.00 0.00 C ATOM 594 CD1 ILE A 42 18.071 -20.657 -1.701 1.00 0.00 C ATOM 0 H ILE A 42 17.592 -21.412 2.053 1.00 0.00 H new ATOM 0 HA ILE A 42 16.453 -22.426 -0.381 1.00 0.00 H new ATOM 0 HB ILE A 42 19.235 -22.718 0.826 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.527 -20.378 0.364 1.00 0.00 H new ATOM 0 HG13 ILE A 42 19.888 -20.900 -0.610 1.00 0.00 H new ATOM 0 HG21 ILE A 42 19.932 -23.314 -1.460 1.00 0.00 H new ATOM 0 HG22 ILE A 42 18.757 -24.480 -0.806 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.233 -23.258 -1.989 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.292 -19.619 -1.949 1.00 0.00 H new ATOM 0 HD12 ILE A 42 18.381 -21.301 -2.524 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.000 -20.770 -1.535 1.00 0.00 H new ATOM 606 N MET A 43 16.040 -24.821 0.112 1.00 0.00 N ATOM 607 CA MET A 43 15.748 -26.222 0.393 1.00 0.00 C ATOM 608 C MET A 43 17.032 -27.012 0.615 1.00 0.00 C ATOM 609 O MET A 43 18.133 -26.498 0.414 1.00 0.00 O ATOM 610 CB MET A 43 14.947 -26.838 -0.757 1.00 0.00 C ATOM 611 CG MET A 43 13.443 -26.703 -0.590 1.00 0.00 C ATOM 612 SD MET A 43 12.521 -27.591 -1.861 1.00 0.00 S ATOM 613 CE MET A 43 10.955 -26.725 -1.812 1.00 0.00 C ATOM 0 H MET A 43 15.535 -24.436 -0.686 1.00 0.00 H new ATOM 0 HA MET A 43 15.154 -26.268 1.306 1.00 0.00 H new ATOM 0 HB2 MET A 43 15.245 -26.363 -1.692 1.00 0.00 H new ATOM 0 HB3 MET A 43 15.202 -27.894 -0.841 1.00 0.00 H new ATOM 0 HG2 MET A 43 13.155 -27.079 0.392 1.00 0.00 H new ATOM 0 HG3 MET A 43 13.171 -25.648 -0.620 1.00 0.00 H new ATOM 0 HE1 MET A 43 10.165 -27.418 -1.524 1.00 0.00 H new ATOM 0 HE2 MET A 43 11.010 -25.915 -1.085 1.00 0.00 H new ATOM 0 HE3 MET A 43 10.736 -26.314 -2.797 1.00 0.00 H new ATOM 737 N VAL A 51 18.286 -29.083 -9.905 1.00 0.00 N ATOM 738 CA VAL A 51 17.187 -28.197 -10.269 1.00 0.00 C ATOM 739 C VAL A 51 17.441 -26.777 -9.774 1.00 0.00 C ATOM 740 O VAL A 51 17.361 -25.818 -10.541 1.00 0.00 O ATOM 741 CB VAL A 51 15.848 -28.697 -9.695 1.00 0.00 C ATOM 742 CG1 VAL A 51 15.939 -28.853 -8.185 1.00 0.00 C ATOM 743 CG2 VAL A 51 14.719 -27.750 -10.075 1.00 0.00 C ATOM 0 HA VAL A 51 17.128 -28.196 -11.357 1.00 0.00 H new ATOM 0 HB VAL A 51 15.631 -29.675 -10.124 1.00 0.00 H new ATOM 0 HG11 VAL A 51 14.984 -29.207 -7.798 1.00 0.00 H new ATOM 0 HG12 VAL A 51 16.719 -29.574 -7.940 1.00 0.00 H new ATOM 0 HG13 VAL A 51 16.179 -27.890 -7.734 1.00 0.00 H new ATOM 0 HG21 VAL A 51 13.780 -28.118 -9.661 1.00 0.00 H new ATOM 0 HG22 VAL A 51 14.927 -26.757 -9.676 1.00 0.00 H new ATOM 0 HG23 VAL A 51 14.640 -27.695 -11.161 1.00 0.00 H new ATOM 753 N ALA A 52 17.746 -26.650 -8.487 1.00 0.00 N ATOM 754 CA ALA A 52 18.014 -25.347 -7.890 1.00 0.00 C ATOM 755 C ALA A 52 19.507 -25.148 -7.654 1.00 0.00 C ATOM 756 O ALA A 52 19.912 -24.288 -6.871 1.00 0.00 O ATOM 757 CB ALA A 52 17.247 -25.198 -6.585 1.00 0.00 C ATOM 0 H ALA A 52 17.814 -27.433 -7.837 1.00 0.00 H new ATOM 0 HA ALA A 52 17.678 -24.579 -8.587 1.00 0.00 H new ATOM 0 HB1 ALA A 52 17.456 -24.221 -6.150 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.178 -25.288 -6.779 1.00 0.00 H new ATOM 0 HB3 ALA A 52 17.556 -25.979 -5.890 1.00 0.00 H new ATOM 763 N CYS A 53 20.321 -25.948 -8.334 1.00 0.00 N ATOM 764 CA CYS A 53 21.771 -25.860 -8.197 1.00 0.00 C ATOM 765 C CYS A 53 22.352 -24.866 -9.198 1.00 0.00 C ATOM 766 O CYS A 53 22.891 -23.829 -8.814 1.00 0.00 O ATOM 767 CB CYS A 53 22.407 -27.235 -8.399 1.00 0.00 C ATOM 768 SG CYS A 53 24.099 -27.365 -7.775 1.00 0.00 S ATOM 0 H CYS A 53 20.002 -26.665 -8.986 1.00 0.00 H new ATOM 0 HA CYS A 53 21.996 -25.508 -7.190 1.00 0.00 H new ATOM 0 HB2 CYS A 53 21.790 -27.985 -7.904 1.00 0.00 H new ATOM 0 HB3 CYS A 53 22.404 -27.472 -9.463 1.00 0.00 H new ATOM 0 HG CYS A 53 24.550 -28.565 -7.990 1.00 0.00 H new ATOM 774 N GLU A 54 22.240 -25.192 -10.482 1.00 0.00 N ATOM 775 CA GLU A 54 22.757 -24.329 -11.536 1.00 0.00 C ATOM 776 C GLU A 54 21.881 -23.090 -11.704 1.00 0.00 C ATOM 777 O GLU A 54 22.339 -22.055 -12.189 1.00 0.00 O ATOM 778 CB GLU A 54 22.836 -25.093 -12.859 1.00 0.00 C ATOM 779 CG GLU A 54 21.581 -24.972 -13.709 1.00 0.00 C ATOM 780 CD GLU A 54 21.685 -25.737 -15.014 1.00 0.00 C ATOM 781 OE1 GLU A 54 22.291 -25.205 -15.967 1.00 0.00 O ATOM 782 OE2 GLU A 54 21.158 -26.868 -15.081 1.00 0.00 O ATOM 0 H GLU A 54 21.796 -26.047 -10.817 1.00 0.00 H new ATOM 0 HA GLU A 54 23.759 -24.009 -11.249 1.00 0.00 H new ATOM 0 HB2 GLU A 54 23.688 -24.726 -13.431 1.00 0.00 H new ATOM 0 HB3 GLU A 54 23.023 -26.146 -12.650 1.00 0.00 H new ATOM 0 HG2 GLU A 54 20.726 -25.341 -13.143 1.00 0.00 H new ATOM 0 HG3 GLU A 54 21.391 -23.920 -13.923 1.00 0.00 H new ATOM 789 N GLN A 55 20.621 -23.204 -11.299 1.00 0.00 N ATOM 790 CA GLN A 55 19.680 -22.094 -11.405 1.00 0.00 C ATOM 791 C GLN A 55 20.151 -20.902 -10.580 1.00 0.00 C ATOM 792 O GLN A 55 19.703 -19.774 -10.789 1.00 0.00 O ATOM 793 CB GLN A 55 18.289 -22.532 -10.944 1.00 0.00 C ATOM 794 CG GLN A 55 18.026 -22.269 -9.470 1.00 0.00 C ATOM 795 CD GLN A 55 16.592 -22.561 -9.072 1.00 0.00 C ATOM 796 OE1 GLN A 55 16.026 -21.886 -8.212 1.00 0.00 O ATOM 797 NE2 GLN A 55 15.997 -23.568 -9.699 1.00 0.00 N ATOM 0 H GLN A 55 20.227 -24.053 -10.894 1.00 0.00 H new ATOM 0 HA GLN A 55 19.629 -21.791 -12.451 1.00 0.00 H new ATOM 0 HB2 GLN A 55 17.538 -22.011 -11.537 1.00 0.00 H new ATOM 0 HB3 GLN A 55 18.168 -23.597 -11.142 1.00 0.00 H new ATOM 0 HG2 GLN A 55 18.698 -22.883 -8.870 1.00 0.00 H new ATOM 0 HG3 GLN A 55 18.257 -21.228 -9.244 1.00 0.00 H new ATOM 0 HE21 GLN A 55 16.505 -24.100 -10.405 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.032 -23.810 -9.475 1.00 0.00 H new ATOM 806 N PHE A 56 21.056 -21.158 -9.641 1.00 0.00 N ATOM 807 CA PHE A 56 21.587 -20.104 -8.783 1.00 0.00 C ATOM 808 C PHE A 56 23.087 -19.931 -9.000 1.00 0.00 C ATOM 809 O PHE A 56 23.571 -18.818 -9.210 1.00 0.00 O ATOM 810 CB PHE A 56 21.307 -20.426 -7.313 1.00 0.00 C ATOM 811 CG PHE A 56 19.843 -20.467 -6.977 1.00 0.00 C ATOM 812 CD1 PHE A 56 18.972 -19.527 -7.501 1.00 0.00 C ATOM 813 CD2 PHE A 56 19.340 -21.446 -6.135 1.00 0.00 C ATOM 814 CE1 PHE A 56 17.624 -19.561 -7.195 1.00 0.00 C ATOM 815 CE2 PHE A 56 17.994 -21.486 -5.825 1.00 0.00 C ATOM 816 CZ PHE A 56 17.135 -20.542 -6.354 1.00 0.00 C ATOM 0 H PHE A 56 21.437 -22.086 -9.455 1.00 0.00 H new ATOM 0 HA PHE A 56 21.090 -19.170 -9.045 1.00 0.00 H new ATOM 0 HB2 PHE A 56 21.755 -21.389 -7.069 1.00 0.00 H new ATOM 0 HB3 PHE A 56 21.795 -19.679 -6.686 1.00 0.00 H new ATOM 0 HD1 PHE A 56 19.350 -18.757 -8.157 1.00 0.00 H new ATOM 0 HD2 PHE A 56 20.007 -22.185 -5.717 1.00 0.00 H new ATOM 0 HE1 PHE A 56 16.955 -18.823 -7.612 1.00 0.00 H new ATOM 0 HE2 PHE A 56 17.613 -22.255 -5.169 1.00 0.00 H new ATOM 0 HZ PHE A 56 16.083 -20.571 -6.111 1.00 0.00 H new ATOM 904 N GLN A 62 23.258 -12.604 -4.013 1.00 0.00 N ATOM 905 CA GLN A 62 22.397 -11.433 -4.147 1.00 0.00 C ATOM 906 C GLN A 62 21.246 -11.711 -5.107 1.00 0.00 C ATOM 907 O GLN A 62 20.082 -11.741 -4.707 1.00 0.00 O ATOM 908 CB GLN A 62 23.207 -10.231 -4.635 1.00 0.00 C ATOM 909 CG GLN A 62 23.835 -9.423 -3.512 1.00 0.00 C ATOM 910 CD GLN A 62 25.048 -8.636 -3.967 1.00 0.00 C ATOM 911 OE1 GLN A 62 24.937 -7.722 -4.785 1.00 0.00 O ATOM 912 NE2 GLN A 62 26.214 -8.986 -3.437 1.00 0.00 N ATOM 0 HA GLN A 62 21.980 -11.206 -3.166 1.00 0.00 H new ATOM 0 HB2 GLN A 62 23.994 -10.581 -5.303 1.00 0.00 H new ATOM 0 HB3 GLN A 62 22.558 -9.580 -5.221 1.00 0.00 H new ATOM 0 HG2 GLN A 62 23.093 -8.736 -3.105 1.00 0.00 H new ATOM 0 HG3 GLN A 62 24.125 -10.095 -2.704 1.00 0.00 H new ATOM 0 HE21 GLN A 62 26.259 -9.750 -2.763 1.00 0.00 H new ATOM 0 HE22 GLN A 62 27.065 -8.491 -3.704 1.00 0.00 H new ATOM 921 N ASP A 63 21.578 -11.915 -6.378 1.00 0.00 N ATOM 922 CA ASP A 63 20.573 -12.191 -7.396 1.00 0.00 C ATOM 923 C ASP A 63 19.443 -13.045 -6.828 1.00 0.00 C ATOM 924 O ASP A 63 18.292 -12.612 -6.773 1.00 0.00 O ATOM 925 CB ASP A 63 21.209 -12.897 -8.594 1.00 0.00 C ATOM 926 CG ASP A 63 20.207 -13.190 -9.693 1.00 0.00 C ATOM 927 OD1 ASP A 63 19.292 -14.007 -9.459 1.00 0.00 O ATOM 928 OD2 ASP A 63 20.338 -12.604 -10.788 1.00 0.00 O ATOM 0 H ASP A 63 22.536 -11.894 -6.727 1.00 0.00 H new ATOM 0 HA ASP A 63 20.155 -11.239 -7.725 1.00 0.00 H new ATOM 0 HB2 ASP A 63 22.011 -12.276 -8.994 1.00 0.00 H new ATOM 0 HB3 ASP A 63 21.663 -13.831 -8.262 1.00 0.00 H new ATOM 933 N ILE A 64 19.781 -14.260 -6.408 1.00 0.00 N ATOM 934 CA ILE A 64 18.795 -15.174 -5.844 1.00 0.00 C ATOM 935 C ILE A 64 17.759 -14.423 -5.015 1.00 0.00 C ATOM 936 O ILE A 64 16.576 -14.399 -5.354 1.00 0.00 O ATOM 937 CB ILE A 64 19.462 -16.246 -4.962 1.00 0.00 C ATOM 938 CG1 ILE A 64 20.237 -17.241 -5.829 1.00 0.00 C ATOM 939 CG2 ILE A 64 18.417 -16.967 -4.124 1.00 0.00 C ATOM 940 CD1 ILE A 64 21.654 -16.804 -6.130 1.00 0.00 C ATOM 0 H ILE A 64 20.729 -14.634 -6.448 1.00 0.00 H new ATOM 0 HA ILE A 64 18.300 -15.661 -6.684 1.00 0.00 H new ATOM 0 HB ILE A 64 20.165 -15.756 -4.288 1.00 0.00 H new ATOM 0 HG12 ILE A 64 20.263 -18.207 -5.325 1.00 0.00 H new ATOM 0 HG13 ILE A 64 19.703 -17.386 -6.768 1.00 0.00 H new ATOM 0 HG21 ILE A 64 18.904 -17.722 -3.506 1.00 0.00 H new ATOM 0 HG22 ILE A 64 17.905 -16.249 -3.484 1.00 0.00 H new ATOM 0 HG23 ILE A 64 17.692 -17.448 -4.781 1.00 0.00 H new ATOM 0 HD11 ILE A 64 22.143 -17.557 -6.748 1.00 0.00 H new ATOM 0 HD12 ILE A 64 21.636 -15.853 -6.662 1.00 0.00 H new ATOM 0 HD13 ILE A 64 22.205 -16.687 -5.197 1.00 0.00 H new ATOM 952 N LYS A 65 18.213 -13.808 -3.928 1.00 0.00 N ATOM 953 CA LYS A 65 17.327 -13.051 -3.051 1.00 0.00 C ATOM 954 C LYS A 65 16.279 -12.292 -3.859 1.00 0.00 C ATOM 955 O LYS A 65 15.086 -12.359 -3.566 1.00 0.00 O ATOM 956 CB LYS A 65 18.135 -12.073 -2.196 1.00 0.00 C ATOM 957 CG LYS A 65 18.933 -12.746 -1.092 1.00 0.00 C ATOM 958 CD LYS A 65 19.428 -11.737 -0.069 1.00 0.00 C ATOM 959 CE LYS A 65 18.318 -11.320 0.885 1.00 0.00 C ATOM 960 NZ LYS A 65 18.650 -10.059 1.603 1.00 0.00 N ATOM 0 H LYS A 65 19.189 -13.819 -3.633 1.00 0.00 H new ATOM 0 HA LYS A 65 16.814 -13.757 -2.397 1.00 0.00 H new ATOM 0 HB2 LYS A 65 18.818 -11.519 -2.840 1.00 0.00 H new ATOM 0 HB3 LYS A 65 17.456 -11.346 -1.751 1.00 0.00 H new ATOM 0 HG2 LYS A 65 18.313 -13.493 -0.597 1.00 0.00 H new ATOM 0 HG3 LYS A 65 19.783 -13.273 -1.525 1.00 0.00 H new ATOM 0 HD2 LYS A 65 20.254 -12.167 0.498 1.00 0.00 H new ATOM 0 HD3 LYS A 65 19.817 -10.858 -0.582 1.00 0.00 H new ATOM 0 HE2 LYS A 65 17.391 -11.187 0.328 1.00 0.00 H new ATOM 0 HE3 LYS A 65 18.144 -12.116 1.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.870 -9.808 2.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 19.521 -10.193 2.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 18.792 -9.294 0.913 1.00 0.00 H new ATOM 974 N ASN A 66 16.734 -11.570 -4.878 1.00 0.00 N ATOM 975 CA ASN A 66 15.837 -10.798 -5.729 1.00 0.00 C ATOM 976 C ASN A 66 14.850 -11.712 -6.449 1.00 0.00 C ATOM 977 O ASN A 66 13.688 -11.357 -6.648 1.00 0.00 O ATOM 978 CB ASN A 66 16.638 -9.989 -6.751 1.00 0.00 C ATOM 979 CG ASN A 66 17.316 -8.784 -6.130 1.00 0.00 C ATOM 980 OD1 ASN A 66 16.782 -7.674 -6.159 1.00 0.00 O ATOM 981 ND2 ASN A 66 18.499 -8.995 -5.564 1.00 0.00 N ATOM 0 H ASN A 66 17.719 -11.504 -5.134 1.00 0.00 H new ATOM 0 HA ASN A 66 15.275 -10.113 -5.094 1.00 0.00 H new ATOM 0 HB2 ASN A 66 17.391 -10.631 -7.209 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.974 -9.658 -7.549 1.00 0.00 H new ATOM 0 HD21 ASN A 66 19.002 -8.221 -5.130 1.00 0.00 H new ATOM 0 HD22 ASN A 66 18.904 -9.931 -5.563 1.00 0.00 H new ATOM 988 N VAL A 67 15.321 -12.893 -6.838 1.00 0.00 N ATOM 989 CA VAL A 67 14.480 -13.860 -7.535 1.00 0.00 C ATOM 990 C VAL A 67 13.357 -14.361 -6.633 1.00 0.00 C ATOM 991 O VAL A 67 12.179 -14.121 -6.899 1.00 0.00 O ATOM 992 CB VAL A 67 15.302 -15.065 -8.029 1.00 0.00 C ATOM 993 CG1 VAL A 67 14.404 -16.072 -8.730 1.00 0.00 C ATOM 994 CG2 VAL A 67 16.421 -14.603 -8.951 1.00 0.00 C ATOM 0 H VAL A 67 16.280 -13.203 -6.682 1.00 0.00 H new ATOM 0 HA VAL A 67 14.051 -13.345 -8.395 1.00 0.00 H new ATOM 0 HB VAL A 67 15.752 -15.555 -7.166 1.00 0.00 H new ATOM 0 HG11 VAL A 67 15.002 -16.917 -9.072 1.00 0.00 H new ATOM 0 HG12 VAL A 67 13.642 -16.425 -8.036 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.924 -15.597 -9.586 1.00 0.00 H new ATOM 0 HG21 VAL A 67 16.992 -15.467 -9.291 1.00 0.00 H new ATOM 0 HG22 VAL A 67 15.994 -14.088 -9.812 1.00 0.00 H new ATOM 0 HG23 VAL A 67 17.079 -13.922 -8.411 1.00 0.00 H new ATOM 1004 N VAL A 68 13.729 -15.058 -5.564 1.00 0.00 N ATOM 1005 CA VAL A 68 12.753 -15.593 -4.623 1.00 0.00 C ATOM 1006 C VAL A 68 11.774 -14.513 -4.175 1.00 0.00 C ATOM 1007 O VAL A 68 10.622 -14.802 -3.847 1.00 0.00 O ATOM 1008 CB VAL A 68 13.440 -16.192 -3.382 1.00 0.00 C ATOM 1009 CG1 VAL A 68 12.405 -16.708 -2.395 1.00 0.00 C ATOM 1010 CG2 VAL A 68 14.400 -17.300 -3.788 1.00 0.00 C ATOM 0 H VAL A 68 14.700 -15.265 -5.328 1.00 0.00 H new ATOM 0 HA VAL A 68 12.209 -16.381 -5.144 1.00 0.00 H new ATOM 0 HB VAL A 68 14.014 -15.406 -2.891 1.00 0.00 H new ATOM 0 HG11 VAL A 68 12.910 -17.128 -1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.761 -15.887 -2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.801 -17.480 -2.871 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.877 -17.712 -2.899 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.850 -18.088 -4.303 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.162 -16.895 -4.454 1.00 0.00 H new ATOM 1020 N LEU A 69 12.238 -13.269 -4.165 1.00 0.00 N ATOM 1021 CA LEU A 69 11.402 -12.143 -3.758 1.00 0.00 C ATOM 1022 C LEU A 69 10.361 -11.825 -4.825 1.00 0.00 C ATOM 1023 O LEU A 69 9.202 -11.549 -4.513 1.00 0.00 O ATOM 1024 CB LEU A 69 12.268 -10.911 -3.490 1.00 0.00 C ATOM 1025 CG LEU A 69 11.515 -9.620 -3.165 1.00 0.00 C ATOM 1026 CD1 LEU A 69 10.879 -9.705 -1.786 1.00 0.00 C ATOM 1027 CD2 LEU A 69 12.449 -8.423 -3.251 1.00 0.00 C ATOM 0 H LEU A 69 13.188 -13.013 -4.434 1.00 0.00 H new ATOM 0 HA LEU A 69 10.882 -12.420 -2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.938 -11.136 -2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.893 -10.733 -4.365 1.00 0.00 H new ATOM 0 HG LEU A 69 10.721 -9.490 -3.900 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.348 -8.777 -1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.178 -10.539 -1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.655 -9.859 -1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.897 -7.513 -3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.265 -8.546 -2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.856 -8.351 -4.260 1.00 0.00 H new ATOM 1039 N GLN A 70 10.780 -11.867 -6.086 1.00 0.00 N ATOM 1040 CA GLN A 70 9.883 -11.585 -7.200 1.00 0.00 C ATOM 1041 C GLN A 70 8.699 -12.548 -7.203 1.00 0.00 C ATOM 1042 O GLN A 70 7.591 -12.186 -7.602 1.00 0.00 O ATOM 1043 CB GLN A 70 10.636 -11.679 -8.527 1.00 0.00 C ATOM 1044 CG GLN A 70 11.279 -10.371 -8.957 1.00 0.00 C ATOM 1045 CD GLN A 70 10.298 -9.435 -9.636 1.00 0.00 C ATOM 1046 OE1 GLN A 70 9.084 -9.582 -9.497 1.00 0.00 O ATOM 1047 NE2 GLN A 70 10.822 -8.464 -10.375 1.00 0.00 N ATOM 0 H GLN A 70 11.736 -12.094 -6.361 1.00 0.00 H new ATOM 0 HA GLN A 70 9.503 -10.571 -7.079 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.409 -12.443 -8.443 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.946 -12.007 -9.304 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.704 -9.875 -8.084 1.00 0.00 H new ATOM 0 HG3 GLN A 70 12.104 -10.582 -9.637 1.00 0.00 H new ATOM 0 HE21 GLN A 70 11.835 -8.380 -10.462 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.212 -7.803 -10.855 1.00 0.00 H new ATOM 1056 N THR A 71 8.941 -13.776 -6.756 1.00 0.00 N ATOM 1057 CA THR A 71 7.896 -14.791 -6.710 1.00 0.00 C ATOM 1058 C THR A 71 6.803 -14.410 -5.719 1.00 0.00 C ATOM 1059 O THR A 71 5.641 -14.241 -6.093 1.00 0.00 O ATOM 1060 CB THR A 71 8.468 -16.168 -6.321 1.00 0.00 C ATOM 1061 OG1 THR A 71 9.465 -16.569 -7.268 1.00 0.00 O ATOM 1062 CG2 THR A 71 7.365 -17.215 -6.264 1.00 0.00 C ATOM 0 H THR A 71 9.851 -14.092 -6.421 1.00 0.00 H new ATOM 0 HA THR A 71 7.470 -14.852 -7.711 1.00 0.00 H new ATOM 0 HB THR A 71 8.919 -16.084 -5.332 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.595 -17.539 -7.215 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.792 -18.179 -5.988 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.622 -16.921 -5.522 1.00 0.00 H new ATOM 0 HG23 THR A 71 6.889 -17.296 -7.241 1.00 0.00 H new ATOM 1070 N LEU A 72 7.181 -14.273 -4.452 1.00 0.00 N ATOM 1071 CA LEU A 72 6.231 -13.910 -3.405 1.00 0.00 C ATOM 1072 C LEU A 72 5.630 -12.533 -3.669 1.00 0.00 C ATOM 1073 O LEU A 72 4.443 -12.310 -3.439 1.00 0.00 O ATOM 1074 CB LEU A 72 6.918 -13.926 -2.038 1.00 0.00 C ATOM 1075 CG LEU A 72 7.394 -15.292 -1.542 1.00 0.00 C ATOM 1076 CD1 LEU A 72 8.208 -15.143 -0.266 1.00 0.00 C ATOM 1077 CD2 LEU A 72 6.209 -16.220 -1.316 1.00 0.00 C ATOM 0 H LEU A 72 8.138 -14.408 -4.125 1.00 0.00 H new ATOM 0 HA LEU A 72 5.425 -14.644 -3.409 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.777 -13.257 -2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.227 -13.515 -1.302 1.00 0.00 H new ATOM 0 HG LEU A 72 8.034 -15.732 -2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.538 -16.125 0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.078 -14.515 -0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.593 -14.682 0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.567 -17.187 -0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.543 -15.785 -0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.667 -16.353 -2.252 1.00 0.00 H new ATOM 1089 N GLU A 73 6.459 -11.614 -4.155 1.00 0.00 N ATOM 1090 CA GLU A 73 6.007 -10.260 -4.451 1.00 0.00 C ATOM 1091 C GLU A 73 4.879 -10.275 -5.478 1.00 0.00 C ATOM 1092 O GLU A 73 3.809 -9.711 -5.249 1.00 0.00 O ATOM 1093 CB GLU A 73 7.173 -9.413 -4.970 1.00 0.00 C ATOM 1094 CG GLU A 73 7.989 -8.761 -3.866 1.00 0.00 C ATOM 1095 CD GLU A 73 8.927 -7.690 -4.388 1.00 0.00 C ATOM 1096 OE1 GLU A 73 9.739 -7.999 -5.285 1.00 0.00 O ATOM 1097 OE2 GLU A 73 8.848 -6.543 -3.901 1.00 0.00 O ATOM 0 H GLU A 73 7.446 -11.783 -4.352 1.00 0.00 H new ATOM 0 HA GLU A 73 5.628 -9.820 -3.528 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.829 -10.042 -5.572 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.783 -8.637 -5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.314 -8.321 -3.132 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.569 -9.525 -3.348 1.00 0.00 H new ATOM 1104 N GLY A 74 5.127 -10.924 -6.612 1.00 0.00 N ATOM 1105 CA GLY A 74 4.124 -10.999 -7.658 1.00 0.00 C ATOM 1106 C GLY A 74 2.784 -11.488 -7.142 1.00 0.00 C ATOM 1107 O GLY A 74 1.738 -10.950 -7.503 1.00 0.00 O ATOM 0 H GLY A 74 6.004 -11.399 -6.825 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.999 -10.014 -8.109 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.473 -11.668 -8.445 1.00 0.00 H new ATOM 1111 N HIS A 75 2.816 -12.512 -6.295 1.00 0.00 N ATOM 1112 CA HIS A 75 1.594 -13.074 -5.730 1.00 0.00 C ATOM 1113 C HIS A 75 0.862 -12.039 -4.882 1.00 0.00 C ATOM 1114 O HIS A 75 -0.369 -11.988 -4.870 1.00 0.00 O ATOM 1115 CB HIS A 75 1.919 -14.306 -4.883 1.00 0.00 C ATOM 1116 CG HIS A 75 2.543 -15.421 -5.664 1.00 0.00 C ATOM 1117 ND1 HIS A 75 1.930 -16.017 -6.746 1.00 0.00 N ATOM 1118 CD2 HIS A 75 3.733 -16.048 -5.516 1.00 0.00 C ATOM 1119 CE1 HIS A 75 2.714 -16.963 -7.229 1.00 0.00 C ATOM 1120 NE2 HIS A 75 3.816 -17.002 -6.501 1.00 0.00 N ATOM 0 H HIS A 75 3.674 -12.969 -5.985 1.00 0.00 H new ATOM 0 HA HIS A 75 0.944 -13.369 -6.554 1.00 0.00 H new ATOM 0 HB2 HIS A 75 2.594 -14.016 -4.078 1.00 0.00 H new ATOM 0 HB3 HIS A 75 1.003 -14.668 -4.417 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.479 -15.838 -4.764 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.492 -17.597 -8.075 1.00 0.00 H new ATOM 0 HE2 HIS A 75 4.601 -17.637 -6.647 1.00 0.00 H new ATOM 1129 N LEU A 76 1.626 -11.215 -4.171 1.00 0.00 N ATOM 1130 CA LEU A 76 1.050 -10.181 -3.319 1.00 0.00 C ATOM 1131 C LEU A 76 0.188 -9.221 -4.135 1.00 0.00 C ATOM 1132 O LEU A 76 -0.914 -8.857 -3.721 1.00 0.00 O ATOM 1133 CB LEU A 76 2.157 -9.406 -2.603 1.00 0.00 C ATOM 1134 CG LEU A 76 1.736 -8.631 -1.355 1.00 0.00 C ATOM 1135 CD1 LEU A 76 1.837 -9.511 -0.120 1.00 0.00 C ATOM 1136 CD2 LEU A 76 2.586 -7.379 -1.192 1.00 0.00 C ATOM 0 H LEU A 76 2.646 -11.244 -4.168 1.00 0.00 H new ATOM 0 HA LEU A 76 0.418 -10.668 -2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.941 -10.109 -2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.597 -8.704 -3.311 1.00 0.00 H new ATOM 0 HG LEU A 76 0.696 -8.327 -1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.533 -8.942 0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.184 -10.376 -0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.866 -9.847 0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.272 -6.840 -0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.635 -7.661 -1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.461 -6.738 -2.065 1.00 0.00 H new ATOM 1148 N ARG A 77 0.696 -8.817 -5.294 1.00 0.00 N ATOM 1149 CA ARG A 77 -0.028 -7.902 -6.167 1.00 0.00 C ATOM 1150 C ARG A 77 -1.250 -8.583 -6.777 1.00 0.00 C ATOM 1151 O ARG A 77 -2.316 -7.979 -6.894 1.00 0.00 O ATOM 1152 CB ARG A 77 0.891 -7.389 -7.278 1.00 0.00 C ATOM 1153 CG ARG A 77 0.350 -6.167 -8.000 1.00 0.00 C ATOM 1154 CD ARG A 77 1.463 -5.378 -8.672 1.00 0.00 C ATOM 1155 NE ARG A 77 0.942 -4.355 -9.575 1.00 0.00 N ATOM 1156 CZ ARG A 77 1.709 -3.491 -10.230 1.00 0.00 C ATOM 1157 NH1 ARG A 77 3.027 -3.527 -10.083 1.00 0.00 N ATOM 1158 NH2 ARG A 77 1.161 -2.590 -11.033 1.00 0.00 N ATOM 0 H ARG A 77 1.606 -9.109 -5.650 1.00 0.00 H new ATOM 0 HA ARG A 77 -0.367 -7.058 -5.566 1.00 0.00 H new ATOM 0 HB2 ARG A 77 1.864 -7.147 -6.850 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.051 -8.187 -8.003 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.379 -6.478 -8.748 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.174 -5.527 -7.291 1.00 0.00 H new ATOM 0 HD2 ARG A 77 2.084 -4.907 -7.910 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.105 -6.060 -9.229 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.068 -4.301 -9.710 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.453 -4.219 -9.466 1.00 0.00 H new ATOM 0 HH12 ARG A 77 3.615 -2.863 -10.587 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.148 -2.559 -11.149 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.752 -1.927 -11.535 1.00 0.00 H new ATOM 1172 N SER A 78 -1.086 -9.844 -7.164 1.00 0.00 N ATOM 1173 CA SER A 78 -2.173 -10.606 -7.767 1.00 0.00 C ATOM 1174 C SER A 78 -3.307 -10.816 -6.767 1.00 0.00 C ATOM 1175 O SER A 78 -4.470 -10.547 -7.067 1.00 0.00 O ATOM 1176 CB SER A 78 -1.661 -11.959 -8.266 1.00 0.00 C ATOM 1177 OG SER A 78 -1.226 -11.873 -9.612 1.00 0.00 O ATOM 0 H SER A 78 -0.211 -10.359 -7.071 1.00 0.00 H new ATOM 0 HA SER A 78 -2.557 -10.037 -8.614 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.838 -12.296 -7.635 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.452 -12.704 -8.183 1.00 0.00 H new ATOM 0 HG SER A 78 -0.902 -12.749 -9.908 1.00 0.00 H new ATOM 1183 N ILE A 79 -2.958 -11.298 -5.579 1.00 0.00 N ATOM 1184 CA ILE A 79 -3.946 -11.544 -4.535 1.00 0.00 C ATOM 1185 C ILE A 79 -4.588 -10.242 -4.069 1.00 0.00 C ATOM 1186 O ILE A 79 -5.781 -10.199 -3.769 1.00 0.00 O ATOM 1187 CB ILE A 79 -3.317 -12.257 -3.324 1.00 0.00 C ATOM 1188 CG1 ILE A 79 -2.786 -13.633 -3.731 1.00 0.00 C ATOM 1189 CG2 ILE A 79 -4.335 -12.388 -2.200 1.00 0.00 C ATOM 1190 CD1 ILE A 79 -3.868 -14.585 -4.195 1.00 0.00 C ATOM 0 H ILE A 79 -1.999 -11.526 -5.315 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.711 -12.188 -4.968 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.480 -11.658 -2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.055 -13.510 -4.530 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.262 -14.076 -2.884 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.876 -12.894 -1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.669 -11.397 -1.894 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.190 -12.967 -2.549 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.420 -15.540 -4.468 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.587 -14.738 -3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.377 -14.163 -5.061 1.00 0.00 H new ATOM 1202 N LEU A 80 -3.788 -9.183 -4.010 1.00 0.00 N ATOM 1203 CA LEU A 80 -4.279 -7.878 -3.582 1.00 0.00 C ATOM 1204 C LEU A 80 -5.205 -7.272 -4.631 1.00 0.00 C ATOM 1205 O LEU A 80 -6.266 -6.741 -4.306 1.00 0.00 O ATOM 1206 CB LEU A 80 -3.106 -6.932 -3.315 1.00 0.00 C ATOM 1207 CG LEU A 80 -3.429 -5.671 -2.513 1.00 0.00 C ATOM 1208 CD1 LEU A 80 -2.218 -5.226 -1.708 1.00 0.00 C ATOM 1209 CD2 LEU A 80 -3.896 -4.557 -3.438 1.00 0.00 C ATOM 0 H LEU A 80 -2.798 -9.202 -4.253 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.845 -8.016 -2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.331 -7.487 -2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.683 -6.630 -4.273 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.236 -5.902 -1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.467 -4.327 -1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.928 -6.019 -1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.390 -5.012 -2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.122 -3.667 -2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.110 -4.328 -4.157 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.792 -4.877 -3.970 1.00 0.00 H new ATOM 1221 N GLY A 81 -4.797 -7.359 -5.894 1.00 0.00 N ATOM 1222 CA GLY A 81 -5.603 -6.817 -6.973 1.00 0.00 C ATOM 1223 C GLY A 81 -7.052 -7.254 -6.889 1.00 0.00 C ATOM 1224 O GLY A 81 -7.964 -6.437 -7.026 1.00 0.00 O ATOM 0 H GLY A 81 -3.923 -7.795 -6.189 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.553 -5.728 -6.949 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.186 -7.134 -7.929 1.00 0.00 H new ATOM 1228 N THR A 82 -7.268 -8.547 -6.664 1.00 0.00 N ATOM 1229 CA THR A 82 -8.616 -9.090 -6.565 1.00 0.00 C ATOM 1230 C THR A 82 -9.237 -8.778 -5.210 1.00 0.00 C ATOM 1231 O THR A 82 -10.438 -8.962 -5.008 1.00 0.00 O ATOM 1232 CB THR A 82 -8.623 -10.616 -6.782 1.00 0.00 C ATOM 1233 OG1 THR A 82 -9.936 -11.138 -6.547 1.00 0.00 O ATOM 1234 CG2 THR A 82 -7.627 -11.298 -5.856 1.00 0.00 C ATOM 0 H THR A 82 -6.526 -9.237 -6.547 1.00 0.00 H new ATOM 0 HA THR A 82 -9.206 -8.615 -7.349 1.00 0.00 H new ATOM 0 HB THR A 82 -8.332 -10.816 -7.813 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.473 -10.470 -6.072 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.649 -12.374 -6.027 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.625 -10.919 -6.057 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.892 -11.090 -4.819 1.00 0.00 H new ATOM 1242 N LEU A 83 -8.413 -8.304 -4.282 1.00 0.00 N ATOM 1243 CA LEU A 83 -8.881 -7.964 -2.943 1.00 0.00 C ATOM 1244 C LEU A 83 -9.126 -6.463 -2.816 1.00 0.00 C ATOM 1245 O LEU A 83 -8.270 -5.651 -3.166 1.00 0.00 O ATOM 1246 CB LEU A 83 -7.864 -8.416 -1.894 1.00 0.00 C ATOM 1247 CG LEU A 83 -8.432 -8.781 -0.523 1.00 0.00 C ATOM 1248 CD1 LEU A 83 -9.344 -9.993 -0.627 1.00 0.00 C ATOM 1249 CD2 LEU A 83 -7.305 -9.043 0.468 1.00 0.00 C ATOM 0 H LEU A 83 -7.417 -8.146 -4.432 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.824 -8.484 -2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.328 -9.281 -2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.131 -7.620 -1.761 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.022 -7.939 -0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.738 -10.237 0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.170 -9.770 -1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.779 -10.842 -1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.727 -9.302 1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.689 -9.868 0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -6.691 -8.148 0.566 1.00 0.00 H new ATOM 1261 N THR A 84 -10.302 -6.102 -2.310 1.00 0.00 N ATOM 1262 CA THR A 84 -10.660 -4.700 -2.136 1.00 0.00 C ATOM 1263 C THR A 84 -9.896 -4.078 -0.972 1.00 0.00 C ATOM 1264 O THR A 84 -9.705 -4.710 0.067 1.00 0.00 O ATOM 1265 CB THR A 84 -12.171 -4.532 -1.891 1.00 0.00 C ATOM 1266 OG1 THR A 84 -12.566 -5.280 -0.736 1.00 0.00 O ATOM 1267 CG2 THR A 84 -12.969 -4.995 -3.100 1.00 0.00 C ATOM 0 H THR A 84 -11.022 -6.761 -2.014 1.00 0.00 H new ATOM 0 HA THR A 84 -10.390 -4.188 -3.060 1.00 0.00 H new ATOM 0 HB THR A 84 -12.375 -3.474 -1.725 1.00 0.00 H new ATOM 0 HG1 THR A 84 -12.558 -6.237 -0.947 1.00 0.00 H new ATOM 0 HG21 THR A 84 -14.034 -4.867 -2.904 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.687 -4.403 -3.971 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.760 -6.047 -3.293 1.00 0.00 H new ATOM 1275 N VAL A 85 -9.461 -2.835 -1.153 1.00 0.00 N ATOM 1276 CA VAL A 85 -8.718 -2.127 -0.115 1.00 0.00 C ATOM 1277 C VAL A 85 -9.273 -2.441 1.269 1.00 0.00 C ATOM 1278 O VAL A 85 -8.520 -2.720 2.202 1.00 0.00 O ATOM 1279 CB VAL A 85 -8.758 -0.604 -0.339 1.00 0.00 C ATOM 1280 CG1 VAL A 85 -10.179 -0.142 -0.628 1.00 0.00 C ATOM 1281 CG2 VAL A 85 -8.186 0.126 0.867 1.00 0.00 C ATOM 0 H VAL A 85 -9.610 -2.297 -2.007 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.685 -2.469 -0.174 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.142 -0.366 -1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.186 0.937 -0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -10.548 -0.640 -1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -10.821 -0.391 0.216 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -8.222 1.201 0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -8.774 -0.117 1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.152 -0.182 1.022 1.00 0.00 H new ATOM 1291 N GLU A 86 -10.596 -2.395 1.395 1.00 0.00 N ATOM 1292 CA GLU A 86 -11.252 -2.675 2.668 1.00 0.00 C ATOM 1293 C GLU A 86 -10.911 -4.080 3.157 1.00 0.00 C ATOM 1294 O GLU A 86 -10.391 -4.254 4.259 1.00 0.00 O ATOM 1295 CB GLU A 86 -12.768 -2.524 2.529 1.00 0.00 C ATOM 1296 CG GLU A 86 -13.219 -1.089 2.316 1.00 0.00 C ATOM 1297 CD GLU A 86 -14.711 -0.978 2.068 1.00 0.00 C ATOM 1298 OE1 GLU A 86 -15.481 -1.034 3.049 1.00 0.00 O ATOM 1299 OE2 GLU A 86 -15.109 -0.835 0.893 1.00 0.00 O ATOM 0 H GLU A 86 -11.234 -2.167 0.632 1.00 0.00 H new ATOM 0 HA GLU A 86 -10.889 -1.956 3.402 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.110 -3.132 1.691 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.248 -2.918 3.425 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.955 -0.495 3.191 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.681 -0.665 1.468 1.00 0.00 H new ATOM 1306 N GLN A 87 -11.210 -5.076 2.331 1.00 0.00 N ATOM 1307 CA GLN A 87 -10.938 -6.466 2.680 1.00 0.00 C ATOM 1308 C GLN A 87 -9.542 -6.613 3.276 1.00 0.00 C ATOM 1309 O GLN A 87 -9.358 -7.283 4.293 1.00 0.00 O ATOM 1310 CB GLN A 87 -11.076 -7.360 1.447 1.00 0.00 C ATOM 1311 CG GLN A 87 -12.497 -7.843 1.201 1.00 0.00 C ATOM 1312 CD GLN A 87 -12.619 -8.681 -0.056 1.00 0.00 C ATOM 1313 OE1 GLN A 87 -12.153 -8.288 -1.126 1.00 0.00 O ATOM 1314 NE2 GLN A 87 -13.248 -9.844 0.067 1.00 0.00 N ATOM 0 H GLN A 87 -11.641 -4.947 1.415 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.668 -6.777 3.428 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -10.731 -6.812 0.571 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -10.422 -8.224 1.560 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -12.831 -8.429 2.057 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.161 -6.982 1.125 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -13.619 -10.130 0.973 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.361 -10.451 -0.745 1.00 0.00 H new ATOM 1323 N ILE A 88 -8.561 -5.985 2.636 1.00 0.00 N ATOM 1324 CA ILE A 88 -7.182 -6.046 3.104 1.00 0.00 C ATOM 1325 C ILE A 88 -7.082 -5.649 4.573 1.00 0.00 C ATOM 1326 O ILE A 88 -6.286 -6.212 5.326 1.00 0.00 O ATOM 1327 CB ILE A 88 -6.265 -5.131 2.273 1.00 0.00 C ATOM 1328 CG1 ILE A 88 -6.257 -5.573 0.808 1.00 0.00 C ATOM 1329 CG2 ILE A 88 -4.853 -5.138 2.842 1.00 0.00 C ATOM 1330 CD1 ILE A 88 -5.849 -4.477 -0.152 1.00 0.00 C ATOM 0 H ILE A 88 -8.696 -5.428 1.792 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.854 -7.079 2.986 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.651 -4.113 2.323 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.575 -6.416 0.695 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.251 -5.929 0.539 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.216 -4.486 2.244 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.874 -4.780 3.871 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.457 -6.153 2.819 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.866 -4.862 -1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.544 -3.642 -0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.842 -4.137 0.091 1.00 0.00 H new ATOM 1342 N TYR A 89 -7.895 -4.679 4.975 1.00 0.00 N ATOM 1343 CA TYR A 89 -7.898 -4.206 6.354 1.00 0.00 C ATOM 1344 C TYR A 89 -8.622 -5.192 7.267 1.00 0.00 C ATOM 1345 O TYR A 89 -8.127 -5.542 8.338 1.00 0.00 O ATOM 1346 CB TYR A 89 -8.561 -2.831 6.443 1.00 0.00 C ATOM 1347 CG TYR A 89 -7.733 -1.719 5.841 1.00 0.00 C ATOM 1348 CD1 TYR A 89 -6.463 -1.430 6.327 1.00 0.00 C ATOM 1349 CD2 TYR A 89 -8.218 -0.956 4.786 1.00 0.00 C ATOM 1350 CE1 TYR A 89 -5.702 -0.416 5.782 1.00 0.00 C ATOM 1351 CE2 TYR A 89 -7.464 0.060 4.233 1.00 0.00 C ATOM 1352 CZ TYR A 89 -6.207 0.327 4.734 1.00 0.00 C ATOM 1353 OH TYR A 89 -5.452 1.339 4.187 1.00 0.00 O ATOM 0 H TYR A 89 -8.561 -4.205 4.365 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.863 -4.125 6.685 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -9.526 -2.869 5.937 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -8.759 -2.599 7.490 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -6.065 -2.010 7.146 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -9.202 -1.161 4.391 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.718 -0.205 6.173 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.856 0.642 3.413 1.00 0.00 H new ATOM 0 HH TYR A 89 -5.717 2.196 4.582 1.00 0.00 H new ATOM 1363 N GLN A 90 -9.798 -5.636 6.833 1.00 0.00 N ATOM 1364 CA GLN A 90 -10.590 -6.581 7.610 1.00 0.00 C ATOM 1365 C GLN A 90 -9.690 -7.546 8.376 1.00 0.00 C ATOM 1366 O GLN A 90 -9.728 -7.601 9.605 1.00 0.00 O ATOM 1367 CB GLN A 90 -11.533 -7.364 6.694 1.00 0.00 C ATOM 1368 CG GLN A 90 -12.894 -6.709 6.521 1.00 0.00 C ATOM 1369 CD GLN A 90 -13.764 -6.836 7.756 1.00 0.00 C ATOM 1370 OE1 GLN A 90 -13.906 -7.921 8.321 1.00 0.00 O ATOM 1371 NE2 GLN A 90 -14.351 -5.725 8.184 1.00 0.00 N ATOM 0 H GLN A 90 -10.222 -5.356 5.949 1.00 0.00 H new ATOM 0 HA GLN A 90 -11.181 -6.014 8.330 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.066 -7.476 5.716 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.670 -8.367 7.099 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -12.758 -5.654 6.284 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -13.406 -7.163 5.672 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -14.206 -4.847 7.685 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -14.947 -5.749 9.011 1.00 0.00 H new ATOM 1380 N ASP A 91 -8.883 -8.304 7.641 1.00 0.00 N ATOM 1381 CA ASP A 91 -7.974 -9.267 8.251 1.00 0.00 C ATOM 1382 C ASP A 91 -6.690 -9.391 7.438 1.00 0.00 C ATOM 1383 O ASP A 91 -6.717 -9.783 6.271 1.00 0.00 O ATOM 1384 CB ASP A 91 -8.650 -10.633 8.372 1.00 0.00 C ATOM 1385 CG ASP A 91 -9.683 -10.867 7.288 1.00 0.00 C ATOM 1386 OD1 ASP A 91 -9.458 -10.412 6.146 1.00 0.00 O ATOM 1387 OD2 ASP A 91 -10.715 -11.506 7.579 1.00 0.00 O ATOM 0 H ASP A 91 -8.840 -8.270 6.622 1.00 0.00 H new ATOM 0 HA ASP A 91 -7.719 -8.908 9.248 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -7.893 -11.415 8.323 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -9.128 -10.713 9.348 1.00 0.00 H new ATOM 1392 N ARG A 92 -5.565 -9.053 8.061 1.00 0.00 N ATOM 1393 CA ARG A 92 -4.271 -9.124 7.394 1.00 0.00 C ATOM 1394 C ARG A 92 -3.733 -10.552 7.402 1.00 0.00 C ATOM 1395 O ARG A 92 -3.345 -11.086 6.363 1.00 0.00 O ATOM 1396 CB ARG A 92 -3.271 -8.187 8.074 1.00 0.00 C ATOM 1397 CG ARG A 92 -3.665 -6.721 8.004 1.00 0.00 C ATOM 1398 CD ARG A 92 -2.507 -5.813 8.388 1.00 0.00 C ATOM 1399 NE ARG A 92 -2.146 -5.953 9.797 1.00 0.00 N ATOM 1400 CZ ARG A 92 -2.776 -5.324 10.782 1.00 0.00 C ATOM 1401 NH1 ARG A 92 -3.793 -4.516 10.515 1.00 0.00 N ATOM 1402 NH2 ARG A 92 -2.389 -5.502 12.040 1.00 0.00 N ATOM 0 H ARG A 92 -5.524 -8.727 9.027 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.406 -8.811 6.359 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.167 -8.477 9.120 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.293 -8.314 7.610 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.998 -6.481 6.994 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.508 -6.538 8.670 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -1.642 -6.046 7.767 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -2.776 -4.777 8.184 1.00 0.00 H new ATOM 0 HE ARG A 92 -1.368 -6.567 10.037 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -4.094 -4.376 9.550 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -4.275 -4.034 11.274 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -1.607 -6.122 12.250 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.874 -5.018 12.796 1.00 0.00 H new ATOM 1416 N ASP A 93 -3.713 -11.164 8.582 1.00 0.00 N ATOM 1417 CA ASP A 93 -3.223 -12.530 8.725 1.00 0.00 C ATOM 1418 C ASP A 93 -3.820 -13.437 7.654 1.00 0.00 C ATOM 1419 O ASP A 93 -3.181 -14.389 7.206 1.00 0.00 O ATOM 1420 CB ASP A 93 -3.561 -13.071 10.115 1.00 0.00 C ATOM 1421 CG ASP A 93 -3.306 -14.562 10.233 1.00 0.00 C ATOM 1422 OD1 ASP A 93 -2.135 -14.950 10.420 1.00 0.00 O ATOM 1423 OD2 ASP A 93 -4.280 -15.339 10.136 1.00 0.00 O ATOM 0 H ASP A 93 -4.030 -10.736 9.452 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.140 -12.517 8.601 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.967 -12.543 10.861 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.608 -12.866 10.337 1.00 0.00 H new ATOM 1428 N GLN A 94 -5.049 -13.136 7.248 1.00 0.00 N ATOM 1429 CA GLN A 94 -5.734 -13.925 6.230 1.00 0.00 C ATOM 1430 C GLN A 94 -5.272 -13.527 4.831 1.00 0.00 C ATOM 1431 O GLN A 94 -5.214 -14.358 3.926 1.00 0.00 O ATOM 1432 CB GLN A 94 -7.247 -13.749 6.351 1.00 0.00 C ATOM 1433 CG GLN A 94 -8.043 -14.790 5.581 1.00 0.00 C ATOM 1434 CD GLN A 94 -8.320 -14.374 4.150 1.00 0.00 C ATOM 1435 OE1 GLN A 94 -7.901 -13.302 3.711 1.00 0.00 O ATOM 1436 NE2 GLN A 94 -9.030 -15.220 3.413 1.00 0.00 N ATOM 0 H GLN A 94 -5.591 -12.351 7.608 1.00 0.00 H new ATOM 0 HA GLN A 94 -5.485 -14.974 6.390 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.527 -13.795 7.403 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.519 -12.757 5.992 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -7.496 -15.733 5.582 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -8.989 -14.970 6.092 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -9.357 -16.098 3.817 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.248 -14.992 2.443 1.00 0.00 H new ATOM 1445 N PHE A 95 -4.947 -12.249 4.663 1.00 0.00 N ATOM 1446 CA PHE A 95 -4.493 -11.739 3.374 1.00 0.00 C ATOM 1447 C PHE A 95 -3.120 -12.302 3.020 1.00 0.00 C ATOM 1448 O PHE A 95 -2.939 -12.907 1.964 1.00 0.00 O ATOM 1449 CB PHE A 95 -4.440 -10.211 3.397 1.00 0.00 C ATOM 1450 CG PHE A 95 -3.762 -9.617 2.194 1.00 0.00 C ATOM 1451 CD1 PHE A 95 -4.166 -9.961 0.914 1.00 0.00 C ATOM 1452 CD2 PHE A 95 -2.721 -8.715 2.344 1.00 0.00 C ATOM 1453 CE1 PHE A 95 -3.546 -9.416 -0.193 1.00 0.00 C ATOM 1454 CE2 PHE A 95 -2.096 -8.167 1.240 1.00 0.00 C ATOM 1455 CZ PHE A 95 -2.508 -8.518 -0.030 1.00 0.00 C ATOM 0 H PHE A 95 -4.990 -11.548 5.403 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.205 -12.059 2.613 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -5.456 -9.821 3.461 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.916 -9.887 4.296 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.975 -10.664 0.781 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.394 -8.437 3.335 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.872 -9.691 -1.185 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -1.286 -7.465 1.371 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.020 -8.092 -0.894 1.00 0.00 H new ATOM 1465 N ALA A 96 -2.155 -12.099 3.912 1.00 0.00 N ATOM 1466 CA ALA A 96 -0.799 -12.587 3.695 1.00 0.00 C ATOM 1467 C ALA A 96 -0.789 -14.093 3.454 1.00 0.00 C ATOM 1468 O ALA A 96 0.166 -14.637 2.901 1.00 0.00 O ATOM 1469 CB ALA A 96 0.085 -12.234 4.882 1.00 0.00 C ATOM 0 H ALA A 96 -2.288 -11.600 4.792 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.403 -12.101 2.804 1.00 0.00 H new ATOM 0 HB1 ALA A 96 1.095 -12.605 4.706 1.00 0.00 H new ATOM 0 HB2 ALA A 96 0.112 -11.151 5.006 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.318 -12.693 5.785 1.00 0.00 H new ATOM 1475 N LYS A 97 -1.859 -14.761 3.874 1.00 0.00 N ATOM 1476 CA LYS A 97 -1.974 -16.204 3.704 1.00 0.00 C ATOM 1477 C LYS A 97 -2.204 -16.563 2.239 1.00 0.00 C ATOM 1478 O LYS A 97 -1.416 -17.295 1.638 1.00 0.00 O ATOM 1479 CB LYS A 97 -3.120 -16.749 4.560 1.00 0.00 C ATOM 1480 CG LYS A 97 -3.603 -18.122 4.126 1.00 0.00 C ATOM 1481 CD LYS A 97 -4.902 -18.501 4.818 1.00 0.00 C ATOM 1482 CE LYS A 97 -4.697 -18.711 6.311 1.00 0.00 C ATOM 1483 NZ LYS A 97 -5.730 -19.614 6.890 1.00 0.00 N ATOM 0 H LYS A 97 -2.658 -14.325 4.334 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.038 -16.659 4.028 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.794 -16.799 5.599 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.956 -16.050 4.521 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.749 -18.133 3.046 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.839 -18.866 4.352 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.643 -17.718 4.658 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.300 -19.413 4.372 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.707 -19.132 6.486 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.729 -17.748 6.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.556 -19.732 7.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.673 -19.200 6.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.683 -20.541 6.421 1.00 0.00 H new ATOM 1497 N LEU A 98 -3.286 -16.044 1.671 1.00 0.00 N ATOM 1498 CA LEU A 98 -3.619 -16.308 0.275 1.00 0.00 C ATOM 1499 C LEU A 98 -2.418 -16.049 -0.629 1.00 0.00 C ATOM 1500 O LEU A 98 -2.370 -16.522 -1.766 1.00 0.00 O ATOM 1501 CB LEU A 98 -4.798 -15.439 -0.163 1.00 0.00 C ATOM 1502 CG LEU A 98 -6.165 -15.828 0.402 1.00 0.00 C ATOM 1503 CD1 LEU A 98 -6.415 -15.125 1.727 1.00 0.00 C ATOM 1504 CD2 LEU A 98 -7.267 -15.499 -0.595 1.00 0.00 C ATOM 0 H LEU A 98 -3.948 -15.438 2.155 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.898 -17.358 0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.589 -14.408 0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.857 -15.463 -1.251 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.171 -16.904 0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.392 -15.414 2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.643 -15.411 2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.389 -14.046 1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.233 -15.782 -0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.262 -14.429 -0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.097 -16.050 -1.520 1.00 0.00 H new ATOM 1516 N VAL A 99 -1.449 -15.298 -0.117 1.00 0.00 N ATOM 1517 CA VAL A 99 -0.246 -14.978 -0.877 1.00 0.00 C ATOM 1518 C VAL A 99 0.839 -16.026 -0.654 1.00 0.00 C ATOM 1519 O VAL A 99 1.672 -16.267 -1.527 1.00 0.00 O ATOM 1520 CB VAL A 99 0.307 -13.592 -0.496 1.00 0.00 C ATOM 1521 CG1 VAL A 99 1.437 -13.192 -1.433 1.00 0.00 C ATOM 1522 CG2 VAL A 99 -0.804 -12.553 -0.512 1.00 0.00 C ATOM 0 H VAL A 99 -1.473 -14.899 0.822 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.529 -14.970 -1.930 1.00 0.00 H new ATOM 0 HB VAL A 99 0.709 -13.645 0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 99 1.815 -12.210 -1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.242 -13.924 -1.366 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.065 -13.155 -2.457 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.396 -11.580 -0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.237 -12.499 -1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.576 -12.835 0.204 1.00 0.00 H new ATOM 1532 N ARG A 100 0.823 -16.645 0.522 1.00 0.00 N ATOM 1533 CA ARG A 100 1.807 -17.667 0.860 1.00 0.00 C ATOM 1534 C ARG A 100 1.367 -19.035 0.348 1.00 0.00 C ATOM 1535 O ARG A 100 2.182 -19.816 -0.141 1.00 0.00 O ATOM 1536 CB ARG A 100 2.016 -17.720 2.375 1.00 0.00 C ATOM 1537 CG ARG A 100 1.053 -18.653 3.091 1.00 0.00 C ATOM 1538 CD ARG A 100 1.366 -18.744 4.576 1.00 0.00 C ATOM 1539 NE ARG A 100 2.370 -19.765 4.862 1.00 0.00 N ATOM 1540 CZ ARG A 100 2.092 -21.060 4.962 1.00 0.00 C ATOM 1541 NH1 ARG A 100 0.849 -21.490 4.800 1.00 0.00 N ATOM 1542 NH2 ARG A 100 3.062 -21.928 5.225 1.00 0.00 N ATOM 0 H ARG A 100 0.140 -16.457 1.256 1.00 0.00 H new ATOM 0 HA ARG A 100 2.749 -17.404 0.378 1.00 0.00 H new ATOM 0 HB2 ARG A 100 3.038 -18.038 2.581 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.907 -16.715 2.784 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.032 -18.298 2.954 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.108 -19.646 2.645 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.721 -17.777 4.932 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.452 -18.970 5.126 1.00 0.00 H new ATOM 0 HE ARG A 100 3.337 -19.468 4.992 1.00 0.00 H new ATOM 0 HH11 ARG A 100 0.102 -20.826 4.598 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.639 -22.485 4.878 1.00 0.00 H new ATOM 0 HH21 ARG A 100 4.020 -21.600 5.350 1.00 0.00 H new ATOM 0 HH22 ARG A 100 2.849 -22.923 5.302 1.00 0.00 H new ATOM 1556 N GLU A 101 0.073 -19.318 0.466 1.00 0.00 N ATOM 1557 CA GLU A 101 -0.473 -20.593 0.016 1.00 0.00 C ATOM 1558 C GLU A 101 -0.435 -20.694 -1.506 1.00 0.00 C ATOM 1559 O GLU A 101 -0.304 -21.784 -2.064 1.00 0.00 O ATOM 1560 CB GLU A 101 -1.910 -20.761 0.514 1.00 0.00 C ATOM 1561 CG GLU A 101 -2.825 -19.610 0.131 1.00 0.00 C ATOM 1562 CD GLU A 101 -4.266 -20.047 -0.050 1.00 0.00 C ATOM 1563 OE1 GLU A 101 -4.528 -20.869 -0.953 1.00 0.00 O ATOM 1564 OE2 GLU A 101 -5.132 -19.567 0.710 1.00 0.00 O ATOM 0 H GLU A 101 -0.616 -18.682 0.869 1.00 0.00 H new ATOM 0 HA GLU A 101 0.143 -21.390 0.431 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.319 -21.688 0.112 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.900 -20.861 1.599 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.777 -18.840 0.901 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.467 -19.158 -0.794 1.00 0.00 H new ATOM 1571 N VAL A 102 -0.552 -19.550 -2.172 1.00 0.00 N ATOM 1572 CA VAL A 102 -0.531 -19.508 -3.630 1.00 0.00 C ATOM 1573 C VAL A 102 0.887 -19.679 -4.164 1.00 0.00 C ATOM 1574 O VAL A 102 1.098 -20.294 -5.209 1.00 0.00 O ATOM 1575 CB VAL A 102 -1.113 -18.185 -4.162 1.00 0.00 C ATOM 1576 CG1 VAL A 102 -0.127 -17.046 -3.952 1.00 0.00 C ATOM 1577 CG2 VAL A 102 -1.480 -18.318 -5.632 1.00 0.00 C ATOM 0 H VAL A 102 -0.662 -18.640 -1.726 1.00 0.00 H new ATOM 0 HA VAL A 102 -1.150 -20.334 -3.980 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.021 -17.956 -3.603 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.555 -16.119 -4.334 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.082 -16.938 -2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.799 -17.264 -4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.890 -17.374 -5.992 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -0.590 -18.570 -6.208 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.224 -19.105 -5.751 1.00 0.00 H new ATOM 1587 N ALA A 103 1.856 -19.130 -3.438 1.00 0.00 N ATOM 1588 CA ALA A 103 3.255 -19.225 -3.838 1.00 0.00 C ATOM 1589 C ALA A 103 3.873 -20.537 -3.370 1.00 0.00 C ATOM 1590 O ALA A 103 4.717 -21.116 -4.053 1.00 0.00 O ATOM 1591 CB ALA A 103 4.042 -18.043 -3.289 1.00 0.00 C ATOM 0 H ALA A 103 1.698 -18.616 -2.571 1.00 0.00 H new ATOM 0 HA ALA A 103 3.298 -19.203 -4.927 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.085 -18.127 -3.595 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.623 -17.115 -3.678 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.982 -18.040 -2.201 1.00 0.00 H new ATOM 1597 N ALA A 104 3.448 -21.002 -2.199 1.00 0.00 N ATOM 1598 CA ALA A 104 3.958 -22.247 -1.641 1.00 0.00 C ATOM 1599 C ALA A 104 4.207 -23.279 -2.735 1.00 0.00 C ATOM 1600 O ALA A 104 5.313 -23.796 -2.895 1.00 0.00 O ATOM 1601 CB ALA A 104 2.990 -22.797 -0.604 1.00 0.00 C ATOM 0 H ALA A 104 2.751 -20.534 -1.619 1.00 0.00 H new ATOM 0 HA ALA A 104 4.911 -22.034 -1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 104 3.384 -23.728 -0.196 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.867 -22.071 0.200 1.00 0.00 H new ATOM 0 HB3 ALA A 104 2.024 -22.987 -1.072 1.00 0.00 H new ATOM 1607 N PRO A 105 3.155 -23.588 -3.509 1.00 0.00 N ATOM 1608 CA PRO A 105 3.235 -24.561 -4.602 1.00 0.00 C ATOM 1609 C PRO A 105 4.070 -24.051 -5.771 1.00 0.00 C ATOM 1610 O PRO A 105 4.569 -24.836 -6.578 1.00 0.00 O ATOM 1611 CB PRO A 105 1.775 -24.740 -5.025 1.00 0.00 C ATOM 1612 CG PRO A 105 1.106 -23.472 -4.622 1.00 0.00 C ATOM 1613 CD PRO A 105 1.807 -23.010 -3.375 1.00 0.00 C ATOM 0 HA PRO A 105 3.719 -25.487 -4.290 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.692 -24.908 -6.099 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.323 -25.600 -4.532 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.181 -22.724 -5.411 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.044 -23.634 -4.435 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.840 -21.922 -3.312 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.304 -23.366 -2.476 1.00 0.00 H new ATOM 1621 N ASP A 106 4.217 -22.734 -5.857 1.00 0.00 N ATOM 1622 CA ASP A 106 4.993 -22.120 -6.928 1.00 0.00 C ATOM 1623 C ASP A 106 6.489 -22.243 -6.655 1.00 0.00 C ATOM 1624 O ASP A 106 7.230 -22.827 -7.448 1.00 0.00 O ATOM 1625 CB ASP A 106 4.611 -20.647 -7.084 1.00 0.00 C ATOM 1626 CG ASP A 106 3.322 -20.463 -7.860 1.00 0.00 C ATOM 1627 OD1 ASP A 106 2.241 -20.682 -7.275 1.00 0.00 O ATOM 1628 OD2 ASP A 106 3.394 -20.100 -9.053 1.00 0.00 O ATOM 0 H ASP A 106 3.809 -22.071 -5.198 1.00 0.00 H new ATOM 0 HA ASP A 106 4.766 -22.647 -7.855 1.00 0.00 H new ATOM 0 HB2 ASP A 106 4.506 -20.195 -6.098 1.00 0.00 H new ATOM 0 HB3 ASP A 106 5.417 -20.117 -7.592 1.00 0.00 H new ATOM 1633 N VAL A 107 6.928 -21.690 -5.529 1.00 0.00 N ATOM 1634 CA VAL A 107 8.335 -21.738 -5.152 1.00 0.00 C ATOM 1635 C VAL A 107 8.871 -23.164 -5.207 1.00 0.00 C ATOM 1636 O VAL A 107 10.046 -23.387 -5.493 1.00 0.00 O ATOM 1637 CB VAL A 107 8.556 -21.172 -3.736 1.00 0.00 C ATOM 1638 CG1 VAL A 107 8.271 -19.679 -3.706 1.00 0.00 C ATOM 1639 CG2 VAL A 107 7.688 -21.909 -2.727 1.00 0.00 C ATOM 0 H VAL A 107 6.329 -21.203 -4.862 1.00 0.00 H new ATOM 0 HA VAL A 107 8.876 -21.122 -5.870 1.00 0.00 H new ATOM 0 HB VAL A 107 9.600 -21.323 -3.463 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.433 -19.298 -2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 107 8.939 -19.167 -4.399 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.237 -19.500 -4.000 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.857 -21.497 -1.732 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.638 -21.791 -2.996 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.947 -22.968 -2.729 1.00 0.00 H new ATOM 1649 N GLY A 108 7.998 -24.129 -4.932 1.00 0.00 N ATOM 1650 CA GLY A 108 8.402 -25.523 -4.956 1.00 0.00 C ATOM 1651 C GLY A 108 8.993 -25.932 -6.290 1.00 0.00 C ATOM 1652 O GLY A 108 9.679 -26.950 -6.387 1.00 0.00 O ATOM 0 H GLY A 108 7.019 -23.970 -4.693 1.00 0.00 H new ATOM 0 HA2 GLY A 108 9.134 -25.699 -4.168 1.00 0.00 H new ATOM 0 HA3 GLY A 108 7.539 -26.152 -4.736 1.00 0.00 H new ATOM 1656 N ARG A 109 8.724 -25.140 -7.323 1.00 0.00 N ATOM 1657 CA ARG A 109 9.231 -25.427 -8.659 1.00 0.00 C ATOM 1658 C ARG A 109 10.729 -25.151 -8.742 1.00 0.00 C ATOM 1659 O ARG A 109 11.508 -26.013 -9.149 1.00 0.00 O ATOM 1660 CB ARG A 109 8.488 -24.589 -9.701 1.00 0.00 C ATOM 1661 CG ARG A 109 7.103 -25.118 -10.034 1.00 0.00 C ATOM 1662 CD ARG A 109 6.273 -24.080 -10.772 1.00 0.00 C ATOM 1663 NE ARG A 109 6.621 -24.008 -12.189 1.00 0.00 N ATOM 1664 CZ ARG A 109 6.136 -24.835 -13.108 1.00 0.00 C ATOM 1665 NH1 ARG A 109 5.286 -25.791 -12.761 1.00 0.00 N ATOM 1666 NH2 ARG A 109 6.500 -24.705 -14.377 1.00 0.00 N ATOM 0 H ARG A 109 8.157 -24.294 -7.260 1.00 0.00 H new ATOM 0 HA ARG A 109 9.062 -26.484 -8.866 1.00 0.00 H new ATOM 0 HB2 ARG A 109 8.399 -23.566 -9.335 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.082 -24.550 -10.614 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.193 -26.016 -10.646 1.00 0.00 H new ATOM 0 HG3 ARG A 109 6.592 -25.408 -9.116 1.00 0.00 H new ATOM 0 HD2 ARG A 109 5.215 -24.323 -10.670 1.00 0.00 H new ATOM 0 HD3 ARG A 109 6.422 -23.103 -10.312 1.00 0.00 H new ATOM 0 HE ARG A 109 7.272 -23.283 -12.489 1.00 0.00 H new ATOM 0 HH11 ARG A 109 5.003 -25.893 -11.786 1.00 0.00 H new ATOM 0 HH12 ARG A 109 4.915 -26.425 -13.469 1.00 0.00 H new ATOM 0 HH21 ARG A 109 7.153 -23.969 -14.648 1.00 0.00 H new ATOM 0 HH22 ARG A 109 6.127 -25.341 -15.082 1.00 0.00 H new ATOM 1680 N MET A 110 11.126 -23.942 -8.356 1.00 0.00 N ATOM 1681 CA MET A 110 12.531 -23.554 -8.387 1.00 0.00 C ATOM 1682 C MET A 110 13.333 -24.330 -7.348 1.00 0.00 C ATOM 1683 O MET A 110 14.502 -24.647 -7.561 1.00 0.00 O ATOM 1684 CB MET A 110 12.672 -22.051 -8.139 1.00 0.00 C ATOM 1685 CG MET A 110 11.897 -21.560 -6.928 1.00 0.00 C ATOM 1686 SD MET A 110 12.518 -19.989 -6.295 1.00 0.00 S ATOM 1687 CE MET A 110 11.090 -19.401 -5.387 1.00 0.00 C ATOM 0 H MET A 110 10.495 -23.215 -8.019 1.00 0.00 H new ATOM 0 HA MET A 110 12.926 -23.791 -9.375 1.00 0.00 H new ATOM 0 HB2 MET A 110 13.727 -21.810 -8.007 1.00 0.00 H new ATOM 0 HB3 MET A 110 12.330 -21.512 -9.022 1.00 0.00 H new ATOM 0 HG2 MET A 110 10.846 -21.450 -7.195 1.00 0.00 H new ATOM 0 HG3 MET A 110 11.949 -22.311 -6.140 1.00 0.00 H new ATOM 0 HE1 MET A 110 11.351 -18.490 -4.849 1.00 0.00 H new ATOM 0 HE2 MET A 110 10.277 -19.192 -6.083 1.00 0.00 H new ATOM 0 HE3 MET A 110 10.772 -20.163 -4.676 1.00 0.00 H new ATOM 1697 N GLY A 111 12.696 -24.632 -6.219 1.00 0.00 N ATOM 1698 CA GLY A 111 13.366 -25.368 -5.164 1.00 0.00 C ATOM 1699 C GLY A 111 13.459 -24.576 -3.875 1.00 0.00 C ATOM 1700 O GLY A 111 14.385 -24.768 -3.086 1.00 0.00 O ATOM 0 H GLY A 111 11.728 -24.380 -6.018 1.00 0.00 H new ATOM 0 HA2 GLY A 111 12.830 -26.299 -4.977 1.00 0.00 H new ATOM 0 HA3 GLY A 111 14.369 -25.638 -5.494 1.00 0.00 H new ATOM 1704 N ILE A 112 12.499 -23.684 -3.659 1.00 0.00 N ATOM 1705 CA ILE A 112 12.477 -22.860 -2.457 1.00 0.00 C ATOM 1706 C ILE A 112 11.274 -23.195 -1.582 1.00 0.00 C ATOM 1707 O ILE A 112 10.179 -23.444 -2.086 1.00 0.00 O ATOM 1708 CB ILE A 112 12.444 -21.359 -2.802 1.00 0.00 C ATOM 1709 CG1 ILE A 112 13.724 -20.955 -3.539 1.00 0.00 C ATOM 1710 CG2 ILE A 112 12.267 -20.528 -1.540 1.00 0.00 C ATOM 1711 CD1 ILE A 112 14.986 -21.238 -2.754 1.00 0.00 C ATOM 0 H ILE A 112 11.725 -23.513 -4.301 1.00 0.00 H new ATOM 0 HA ILE A 112 13.394 -23.078 -1.910 1.00 0.00 H new ATOM 0 HB ILE A 112 11.594 -21.171 -3.458 1.00 0.00 H new ATOM 0 HG12 ILE A 112 13.770 -21.486 -4.490 1.00 0.00 H new ATOM 0 HG13 ILE A 112 13.680 -19.891 -3.770 1.00 0.00 H new ATOM 0 HG21 ILE A 112 12.246 -19.470 -1.801 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.331 -20.801 -1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 112 13.098 -20.717 -0.860 1.00 0.00 H new ATOM 0 HD11 ILE A 112 15.854 -20.927 -3.336 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.962 -20.685 -1.815 1.00 0.00 H new ATOM 0 HD13 ILE A 112 15.053 -22.306 -2.545 1.00 0.00 H new ATOM 1723 N GLU A 113 11.486 -23.198 -0.270 1.00 0.00 N ATOM 1724 CA GLU A 113 10.417 -23.501 0.675 1.00 0.00 C ATOM 1725 C GLU A 113 10.081 -22.281 1.528 1.00 0.00 C ATOM 1726 O GLU A 113 10.974 -21.612 2.050 1.00 0.00 O ATOM 1727 CB GLU A 113 10.819 -24.672 1.575 1.00 0.00 C ATOM 1728 CG GLU A 113 9.675 -25.217 2.413 1.00 0.00 C ATOM 1729 CD GLU A 113 9.933 -26.627 2.907 1.00 0.00 C ATOM 1730 OE1 GLU A 113 10.538 -26.775 3.990 1.00 0.00 O ATOM 1731 OE2 GLU A 113 9.532 -27.583 2.210 1.00 0.00 O ATOM 0 H GLU A 113 12.387 -22.994 0.163 1.00 0.00 H new ATOM 0 HA GLU A 113 9.531 -23.778 0.104 1.00 0.00 H new ATOM 0 HB2 GLU A 113 11.219 -25.475 0.955 1.00 0.00 H new ATOM 0 HB3 GLU A 113 11.623 -24.351 2.238 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.511 -24.561 3.268 1.00 0.00 H new ATOM 0 HG3 GLU A 113 8.759 -25.205 1.822 1.00 0.00 H new ATOM 1738 N ILE A 114 8.791 -21.998 1.663 1.00 0.00 N ATOM 1739 CA ILE A 114 8.338 -20.859 2.452 1.00 0.00 C ATOM 1740 C ILE A 114 8.075 -21.263 3.898 1.00 0.00 C ATOM 1741 O ILE A 114 7.391 -22.252 4.165 1.00 0.00 O ATOM 1742 CB ILE A 114 7.056 -20.241 1.863 1.00 0.00 C ATOM 1743 CG1 ILE A 114 5.889 -21.223 1.981 1.00 0.00 C ATOM 1744 CG2 ILE A 114 7.279 -19.846 0.411 1.00 0.00 C ATOM 1745 CD1 ILE A 114 5.103 -21.077 3.264 1.00 0.00 C ATOM 0 H ILE A 114 8.040 -22.541 1.237 1.00 0.00 H new ATOM 0 HA ILE A 114 9.136 -20.117 2.423 1.00 0.00 H new ATOM 0 HB ILE A 114 6.809 -19.344 2.430 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.217 -21.079 1.135 1.00 0.00 H new ATOM 0 HG13 ILE A 114 6.273 -22.241 1.914 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.365 -19.411 0.008 1.00 0.00 H new ATOM 0 HG22 ILE A 114 8.085 -19.115 0.353 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.547 -20.729 -0.169 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.292 -21.805 3.279 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.761 -21.250 4.116 1.00 0.00 H new ATOM 0 HD13 ILE A 114 4.689 -20.071 3.324 1.00 0.00 H new ATOM 1757 N LEU A 115 8.621 -20.490 4.831 1.00 0.00 N ATOM 1758 CA LEU A 115 8.445 -20.765 6.252 1.00 0.00 C ATOM 1759 C LEU A 115 7.131 -20.181 6.761 1.00 0.00 C ATOM 1760 O LEU A 115 6.300 -20.894 7.322 1.00 0.00 O ATOM 1761 CB LEU A 115 9.616 -20.190 7.053 1.00 0.00 C ATOM 1762 CG LEU A 115 10.985 -20.813 6.778 1.00 0.00 C ATOM 1763 CD1 LEU A 115 10.872 -22.325 6.658 1.00 0.00 C ATOM 1764 CD2 LEU A 115 11.597 -20.220 5.516 1.00 0.00 C ATOM 0 H LEU A 115 9.189 -19.668 4.628 1.00 0.00 H new ATOM 0 HA LEU A 115 8.417 -21.846 6.386 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.678 -19.121 6.851 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.394 -20.302 8.114 1.00 0.00 H new ATOM 0 HG LEU A 115 11.641 -20.585 7.618 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.857 -22.749 6.462 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.478 -22.735 7.588 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.200 -22.576 5.838 1.00 0.00 H new ATOM 0 HD21 LEU A 115 12.571 -20.675 5.336 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.942 -20.416 4.667 1.00 0.00 H new ATOM 0 HD23 LEU A 115 11.717 -19.144 5.641 1.00 0.00 H new ATOM 1776 N SER A 116 6.951 -18.881 6.560 1.00 0.00 N ATOM 1777 CA SER A 116 5.738 -18.200 6.999 1.00 0.00 C ATOM 1778 C SER A 116 5.500 -16.933 6.183 1.00 0.00 C ATOM 1779 O SER A 116 6.366 -16.496 5.424 1.00 0.00 O ATOM 1780 CB SER A 116 5.835 -17.851 8.486 1.00 0.00 C ATOM 1781 OG SER A 116 5.347 -18.912 9.291 1.00 0.00 O ATOM 0 H SER A 116 7.629 -18.277 6.096 1.00 0.00 H new ATOM 0 HA SER A 116 4.896 -18.874 6.844 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.872 -17.640 8.747 1.00 0.00 H new ATOM 0 HB3 SER A 116 5.265 -16.944 8.688 1.00 0.00 H new ATOM 0 HG SER A 116 5.521 -19.767 8.845 1.00 0.00 H new ATOM 1787 N PHE A 117 4.318 -16.346 6.344 1.00 0.00 N ATOM 1788 CA PHE A 117 3.964 -15.130 5.622 1.00 0.00 C ATOM 1789 C PHE A 117 3.078 -14.228 6.477 1.00 0.00 C ATOM 1790 O PHE A 117 1.964 -14.601 6.846 1.00 0.00 O ATOM 1791 CB PHE A 117 3.247 -15.478 4.316 1.00 0.00 C ATOM 1792 CG PHE A 117 3.427 -14.446 3.240 1.00 0.00 C ATOM 1793 CD1 PHE A 117 3.287 -13.097 3.524 1.00 0.00 C ATOM 1794 CD2 PHE A 117 3.739 -14.824 1.943 1.00 0.00 C ATOM 1795 CE1 PHE A 117 3.452 -12.145 2.536 1.00 0.00 C ATOM 1796 CE2 PHE A 117 3.907 -13.877 0.951 1.00 0.00 C ATOM 1797 CZ PHE A 117 3.764 -12.536 1.248 1.00 0.00 C ATOM 0 H PHE A 117 3.590 -16.693 6.968 1.00 0.00 H new ATOM 0 HA PHE A 117 4.884 -14.593 5.392 1.00 0.00 H new ATOM 0 HB2 PHE A 117 3.615 -16.438 3.953 1.00 0.00 H new ATOM 0 HB3 PHE A 117 2.183 -15.600 4.517 1.00 0.00 H new ATOM 0 HD1 PHE A 117 3.046 -12.786 4.530 1.00 0.00 H new ATOM 0 HD2 PHE A 117 3.852 -15.871 1.705 1.00 0.00 H new ATOM 0 HE1 PHE A 117 3.337 -11.097 2.770 1.00 0.00 H new ATOM 0 HE2 PHE A 117 4.150 -14.185 -0.055 1.00 0.00 H new ATOM 0 HZ PHE A 117 3.896 -11.794 0.475 1.00 0.00 H new ATOM 1807 N THR A 118 3.582 -13.038 6.790 1.00 0.00 N ATOM 1808 CA THR A 118 2.840 -12.084 7.604 1.00 0.00 C ATOM 1809 C THR A 118 2.908 -10.683 7.006 1.00 0.00 C ATOM 1810 O THR A 118 3.616 -10.450 6.026 1.00 0.00 O ATOM 1811 CB THR A 118 3.373 -12.041 9.047 1.00 0.00 C ATOM 1812 OG1 THR A 118 3.746 -13.356 9.471 1.00 0.00 O ATOM 1813 CG2 THR A 118 2.326 -11.475 9.995 1.00 0.00 C ATOM 0 H THR A 118 4.501 -12.712 6.492 1.00 0.00 H new ATOM 0 HA THR A 118 1.803 -12.420 7.619 1.00 0.00 H new ATOM 0 HB THR A 118 4.248 -11.391 9.068 1.00 0.00 H new ATOM 0 HG1 THR A 118 4.086 -13.320 10.390 1.00 0.00 H new ATOM 0 HG21 THR A 118 2.726 -11.455 11.009 1.00 0.00 H new ATOM 0 HG22 THR A 118 2.066 -10.462 9.687 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.435 -12.102 9.969 1.00 0.00 H new ATOM 1821 N ILE A 119 2.169 -9.753 7.603 1.00 0.00 N ATOM 1822 CA ILE A 119 2.149 -8.375 7.129 1.00 0.00 C ATOM 1823 C ILE A 119 2.777 -7.434 8.151 1.00 0.00 C ATOM 1824 O ILE A 119 2.507 -7.529 9.349 1.00 0.00 O ATOM 1825 CB ILE A 119 0.712 -7.904 6.831 1.00 0.00 C ATOM 1826 CG1 ILE A 119 0.081 -8.780 5.746 1.00 0.00 C ATOM 1827 CG2 ILE A 119 0.712 -6.443 6.407 1.00 0.00 C ATOM 1828 CD1 ILE A 119 0.727 -8.620 4.388 1.00 0.00 C ATOM 0 H ILE A 119 1.577 -9.929 8.415 1.00 0.00 H new ATOM 0 HA ILE A 119 2.731 -8.349 6.208 1.00 0.00 H new ATOM 0 HB ILE A 119 0.117 -7.998 7.739 1.00 0.00 H new ATOM 0 HG12 ILE A 119 0.147 -9.825 6.050 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -0.979 -8.538 5.666 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -0.310 -6.124 6.200 1.00 0.00 H new ATOM 0 HG22 ILE A 119 1.127 -5.832 7.208 1.00 0.00 H new ATOM 0 HG23 ILE A 119 1.318 -6.325 5.509 1.00 0.00 H new ATOM 0 HD11 ILE A 119 0.229 -9.271 3.669 1.00 0.00 H new ATOM 0 HD12 ILE A 119 0.638 -7.584 4.062 1.00 0.00 H new ATOM 0 HD13 ILE A 119 1.781 -8.890 4.452 1.00 0.00 H new ATOM 1840 N LYS A 120 3.618 -6.524 7.671 1.00 0.00 N ATOM 1841 CA LYS A 120 4.284 -5.562 8.540 1.00 0.00 C ATOM 1842 C LYS A 120 3.462 -4.283 8.668 1.00 0.00 C ATOM 1843 O LYS A 120 2.837 -4.038 9.700 1.00 0.00 O ATOM 1844 CB LYS A 120 5.677 -5.233 7.997 1.00 0.00 C ATOM 1845 CG LYS A 120 6.397 -4.152 8.786 1.00 0.00 C ATOM 1846 CD LYS A 120 7.864 -4.065 8.400 1.00 0.00 C ATOM 1847 CE LYS A 120 8.471 -2.734 8.817 1.00 0.00 C ATOM 1848 NZ LYS A 120 7.902 -1.597 8.042 1.00 0.00 N ATOM 0 H LYS A 120 3.855 -6.433 6.683 1.00 0.00 H new ATOM 0 HA LYS A 120 4.382 -6.010 9.529 1.00 0.00 H new ATOM 0 HB2 LYS A 120 6.283 -6.139 8.001 1.00 0.00 H new ATOM 0 HB3 LYS A 120 5.587 -4.915 6.958 1.00 0.00 H new ATOM 0 HG2 LYS A 120 5.916 -3.190 8.610 1.00 0.00 H new ATOM 0 HG3 LYS A 120 6.312 -4.361 9.852 1.00 0.00 H new ATOM 0 HD2 LYS A 120 8.414 -4.880 8.870 1.00 0.00 H new ATOM 0 HD3 LYS A 120 7.966 -4.191 7.322 1.00 0.00 H new ATOM 0 HE2 LYS A 120 8.295 -2.572 9.881 1.00 0.00 H new ATOM 0 HE3 LYS A 120 9.551 -2.767 8.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 8.555 -0.789 8.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 7.767 -1.885 7.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 6.986 -1.322 8.451 1.00 0.00 H new ATOM 1862 N ASP A 121 3.465 -3.475 7.614 1.00 0.00 N ATOM 1863 CA ASP A 121 2.717 -2.224 7.609 1.00 0.00 C ATOM 1864 C ASP A 121 1.933 -2.065 6.310 1.00 0.00 C ATOM 1865 O ASP A 121 2.342 -2.562 5.260 1.00 0.00 O ATOM 1866 CB ASP A 121 3.665 -1.037 7.794 1.00 0.00 C ATOM 1867 CG ASP A 121 2.975 0.164 8.410 1.00 0.00 C ATOM 1868 OD1 ASP A 121 1.758 0.328 8.186 1.00 0.00 O ATOM 1869 OD2 ASP A 121 3.653 0.941 9.114 1.00 0.00 O ATOM 0 H ASP A 121 3.977 -3.664 6.752 1.00 0.00 H new ATOM 0 HA ASP A 121 2.011 -2.249 8.439 1.00 0.00 H new ATOM 0 HB2 ASP A 121 4.500 -1.337 8.428 1.00 0.00 H new ATOM 0 HB3 ASP A 121 4.084 -0.756 6.828 1.00 0.00 H new ATOM 1874 N VAL A 122 0.802 -1.371 6.389 1.00 0.00 N ATOM 1875 CA VAL A 122 -0.041 -1.148 5.220 1.00 0.00 C ATOM 1876 C VAL A 122 -0.647 0.252 5.239 1.00 0.00 C ATOM 1877 O VAL A 122 -1.545 0.540 6.032 1.00 0.00 O ATOM 1878 CB VAL A 122 -1.176 -2.186 5.138 1.00 0.00 C ATOM 1879 CG1 VAL A 122 -2.291 -1.689 4.229 1.00 0.00 C ATOM 1880 CG2 VAL A 122 -0.639 -3.524 4.654 1.00 0.00 C ATOM 0 H VAL A 122 0.448 -0.954 7.250 1.00 0.00 H new ATOM 0 HA VAL A 122 0.599 -1.253 4.344 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.590 -2.326 6.137 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -3.084 -2.436 4.184 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -2.694 -0.756 4.624 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.895 -1.519 3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.454 -4.246 4.602 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.198 -3.403 3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 122 0.120 -3.884 5.348 1.00 0.00 H new ATOM 1890 N TYR A 123 -0.153 1.117 4.361 1.00 0.00 N ATOM 1891 CA TYR A 123 -0.644 2.487 4.278 1.00 0.00 C ATOM 1892 C TYR A 123 -1.040 2.838 2.847 1.00 0.00 C ATOM 1893 O TYR A 123 -0.557 2.232 1.891 1.00 0.00 O ATOM 1894 CB TYR A 123 0.420 3.465 4.779 1.00 0.00 C ATOM 1895 CG TYR A 123 1.802 3.191 4.227 1.00 0.00 C ATOM 1896 CD1 TYR A 123 2.597 2.186 4.762 1.00 0.00 C ATOM 1897 CD2 TYR A 123 2.310 3.938 3.171 1.00 0.00 C ATOM 1898 CE1 TYR A 123 3.860 1.933 4.261 1.00 0.00 C ATOM 1899 CE2 TYR A 123 3.570 3.690 2.663 1.00 0.00 C ATOM 1900 CZ TYR A 123 4.342 2.688 3.211 1.00 0.00 C ATOM 1901 OH TYR A 123 5.598 2.440 2.709 1.00 0.00 O ATOM 0 H TYR A 123 0.588 0.894 3.696 1.00 0.00 H new ATOM 0 HA TYR A 123 -1.528 2.567 4.911 1.00 0.00 H new ATOM 0 HB2 TYR A 123 0.125 4.479 4.510 1.00 0.00 H new ATOM 0 HB3 TYR A 123 0.457 3.422 5.868 1.00 0.00 H new ATOM 0 HD1 TYR A 123 2.222 1.592 5.583 1.00 0.00 H new ATOM 0 HD2 TYR A 123 1.709 4.726 2.740 1.00 0.00 H new ATOM 0 HE1 TYR A 123 4.467 1.149 4.689 1.00 0.00 H new ATOM 0 HE2 TYR A 123 3.949 4.278 1.840 1.00 0.00 H new ATOM 0 HH TYR A 123 5.784 3.059 1.972 1.00 0.00 H new ATOM 1911 N ASP A 124 -1.922 3.821 2.709 1.00 0.00 N ATOM 1912 CA ASP A 124 -2.384 4.256 1.396 1.00 0.00 C ATOM 1913 C ASP A 124 -1.475 5.346 0.834 1.00 0.00 C ATOM 1914 O ASP A 124 -1.436 6.463 1.349 1.00 0.00 O ATOM 1915 CB ASP A 124 -3.822 4.768 1.481 1.00 0.00 C ATOM 1916 CG ASP A 124 -4.686 3.920 2.393 1.00 0.00 C ATOM 1917 OD1 ASP A 124 -4.213 3.555 3.489 1.00 0.00 O ATOM 1918 OD2 ASP A 124 -5.837 3.620 2.009 1.00 0.00 O ATOM 0 H ASP A 124 -2.332 4.332 3.491 1.00 0.00 H new ATOM 0 HA ASP A 124 -2.352 3.398 0.724 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -3.818 5.796 1.843 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -4.259 4.783 0.482 1.00 0.00 H new