USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=19 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 71 THR OG1 : rot 72:sc= 0.379 USER MOD Set 1.2: A 110 MET CE :methyl -101:sc= -10.9! (180deg=-14.4!) USER MOD Single : A 15 MET CE :methyl -156:sc= -2.99! (180deg=-4.6!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -4.23! C(o=-4.2!,f=-9.5!) USER MOD Single : A 21 CYS SG : rot 16:sc= 0.167 USER MOD Single : A 26 THR OG1 : rot -89:sc= -0.907 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= -0.031 X(o=-0.031,f=-0.031) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -127:sc= -4.16! (180deg=-7.59!) USER MOD Single : A 53 CYS SG : rot 180:sc= -0.415 USER MOD Single : A 55 GLN : amide:sc= -3.76! C(o=-3.8!,f=-8.7!) 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= 1.23 K(o=1.2,f=-0.09) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.674 F(o=-1.3,f=-0.67) USER MOD Single : A 75 HIS : no HD1:sc= 0.0299 K(o=0.03,f=-4.4!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -35:sc= 1.11 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.307 K(o=-0.31,f=-1.2) USER MOD Single : A 89 TYR OH : rot 14:sc= 0.111 USER MOD Single : A 90 GLN :FLIP amide:sc= -0.288 F(o=-0.85,f=-0.29) USER MOD Single : A 94 GLN : amide:sc= -0.299 X(o=-0.3,f=-0.063) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 171 N ILE A 14 19.189 -19.559 6.390 1.00 0.00 N ATOM 172 CA ILE A 14 17.871 -18.991 6.131 1.00 0.00 C ATOM 173 C ILE A 14 17.979 -17.549 5.649 1.00 0.00 C ATOM 174 O ILE A 14 18.921 -16.837 5.995 1.00 0.00 O ATOM 175 CB ILE A 14 16.983 -19.035 7.388 1.00 0.00 C ATOM 176 CG1 ILE A 14 16.786 -20.480 7.851 1.00 0.00 C ATOM 177 CG2 ILE A 14 15.640 -18.375 7.111 1.00 0.00 C ATOM 178 CD1 ILE A 14 16.457 -20.604 9.321 1.00 0.00 C ATOM 0 HA ILE A 14 17.413 -19.599 5.351 1.00 0.00 H new ATOM 0 HB ILE A 14 17.481 -18.483 8.185 1.00 0.00 H new ATOM 0 HG12 ILE A 14 15.984 -20.934 7.268 1.00 0.00 H new ATOM 0 HG13 ILE A 14 17.693 -21.047 7.641 1.00 0.00 H new ATOM 0 HG21 ILE A 14 15.023 -18.414 8.009 1.00 0.00 H new ATOM 0 HG22 ILE A 14 15.798 -17.335 6.824 1.00 0.00 H new ATOM 0 HG23 ILE A 14 15.136 -18.902 6.301 1.00 0.00 H new ATOM 0 HD11 ILE A 14 16.331 -21.656 9.578 1.00 0.00 H new ATOM 0 HD12 ILE A 14 17.269 -20.181 9.912 1.00 0.00 H new ATOM 0 HD13 ILE A 14 15.534 -20.065 9.534 1.00 0.00 H new ATOM 190 N MET A 15 17.007 -17.124 4.849 1.00 0.00 N ATOM 191 CA MET A 15 16.991 -15.765 4.321 1.00 0.00 C ATOM 192 C MET A 15 15.640 -15.100 4.570 1.00 0.00 C ATOM 193 O MET A 15 14.590 -15.689 4.311 1.00 0.00 O ATOM 194 CB MET A 15 17.299 -15.773 2.822 1.00 0.00 C ATOM 195 CG MET A 15 16.247 -16.486 1.989 1.00 0.00 C ATOM 196 SD MET A 15 16.508 -16.282 0.217 1.00 0.00 S ATOM 197 CE MET A 15 16.466 -17.987 -0.331 1.00 0.00 C ATOM 0 H MET A 15 16.220 -17.701 4.552 1.00 0.00 H new ATOM 0 HA MET A 15 17.760 -15.192 4.840 1.00 0.00 H new ATOM 0 HB2 MET A 15 17.391 -14.745 2.473 1.00 0.00 H new ATOM 0 HB3 MET A 15 18.265 -16.252 2.660 1.00 0.00 H new ATOM 0 HG2 MET A 15 16.254 -17.548 2.233 1.00 0.00 H new ATOM 0 HG3 MET A 15 15.261 -16.105 2.253 1.00 0.00 H new ATOM 0 HE1 MET A 15 17.013 -18.081 -1.269 1.00 0.00 H new ATOM 0 HE2 MET A 15 16.928 -18.623 0.424 1.00 0.00 H new ATOM 0 HE3 MET A 15 15.431 -18.295 -0.482 1.00 0.00 H new ATOM 207 N THR A 16 15.674 -13.871 5.074 1.00 0.00 N ATOM 208 CA THR A 16 14.454 -13.128 5.360 1.00 0.00 C ATOM 209 C THR A 16 14.102 -12.188 4.212 1.00 0.00 C ATOM 210 O THR A 16 14.782 -11.187 3.984 1.00 0.00 O ATOM 211 CB THR A 16 14.586 -12.308 6.658 1.00 0.00 C ATOM 212 OG1 THR A 16 15.082 -13.138 7.713 1.00 0.00 O ATOM 213 CG2 THR A 16 13.245 -11.713 7.060 1.00 0.00 C ATOM 0 H THR A 16 16.534 -13.369 5.293 1.00 0.00 H new ATOM 0 HA THR A 16 13.658 -13.862 5.483 1.00 0.00 H new ATOM 0 HB THR A 16 15.287 -11.493 6.478 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.165 -12.609 8.534 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.363 -11.139 7.979 1.00 0.00 H new ATOM 0 HG22 THR A 16 12.885 -11.058 6.266 1.00 0.00 H new ATOM 0 HG23 THR A 16 12.525 -12.515 7.223 1.00 0.00 H new ATOM 221 N LEU A 17 13.034 -12.515 3.493 1.00 0.00 N ATOM 222 CA LEU A 17 12.590 -11.698 2.368 1.00 0.00 C ATOM 223 C LEU A 17 11.259 -11.021 2.679 1.00 0.00 C ATOM 224 O LEU A 17 10.283 -11.683 3.032 1.00 0.00 O ATOM 225 CB LEU A 17 12.456 -12.559 1.109 1.00 0.00 C ATOM 226 CG LEU A 17 13.749 -12.830 0.341 1.00 0.00 C ATOM 227 CD1 LEU A 17 14.819 -13.376 1.275 1.00 0.00 C ATOM 228 CD2 LEU A 17 13.495 -13.797 -0.806 1.00 0.00 C ATOM 0 H LEU A 17 12.459 -13.339 3.668 1.00 0.00 H new ATOM 0 HA LEU A 17 13.338 -10.924 2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.018 -13.516 1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.751 -12.073 0.434 1.00 0.00 H new ATOM 0 HG LEU A 17 14.106 -11.889 -0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 17 15.733 -13.563 0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 17 15.021 -12.649 2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.471 -14.307 1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 17 14.427 -13.979 -1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.114 -14.739 -0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.762 -13.367 -1.488 1.00 0.00 H new ATOM 240 N GLN A 18 11.227 -9.699 2.543 1.00 0.00 N ATOM 241 CA GLN A 18 10.016 -8.933 2.808 1.00 0.00 C ATOM 242 C GLN A 18 9.364 -8.479 1.507 1.00 0.00 C ATOM 243 O GLN A 18 9.746 -7.472 0.909 1.00 0.00 O ATOM 244 CB GLN A 18 10.336 -7.720 3.683 1.00 0.00 C ATOM 245 CG GLN A 18 10.789 -8.084 5.087 1.00 0.00 C ATOM 246 CD GLN A 18 12.242 -8.517 5.136 1.00 0.00 C ATOM 247 OE1 GLN A 18 12.569 -9.669 4.847 1.00 0.00 O ATOM 248 NE2 GLN A 18 13.122 -7.594 5.504 1.00 0.00 N ATOM 0 H GLN A 18 12.026 -9.137 2.251 1.00 0.00 H new ATOM 0 HA GLN A 18 9.316 -9.579 3.338 1.00 0.00 H new ATOM 0 HB2 GLN A 18 11.115 -7.130 3.200 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.451 -7.087 3.749 1.00 0.00 H new ATOM 0 HG2 GLN A 18 10.647 -7.227 5.745 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.161 -8.888 5.471 1.00 0.00 H new ATOM 0 HE21 GLN A 18 12.807 -6.652 5.735 1.00 0.00 H new ATOM 0 HE22 GLN A 18 14.114 -7.827 5.556 1.00 0.00 H new ATOM 257 N PRO A 19 8.354 -9.237 1.053 1.00 0.00 N ATOM 258 CA PRO A 19 7.626 -8.932 -0.182 1.00 0.00 C ATOM 259 C PRO A 19 6.760 -7.683 -0.052 1.00 0.00 C ATOM 260 O PRO A 19 5.637 -7.747 0.447 1.00 0.00 O ATOM 261 CB PRO A 19 6.752 -10.170 -0.394 1.00 0.00 C ATOM 262 CG PRO A 19 6.572 -10.744 0.968 1.00 0.00 C ATOM 263 CD PRO A 19 7.844 -10.451 1.713 1.00 0.00 C ATOM 0 HA PRO A 19 8.301 -8.723 -1.012 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.794 -9.906 -0.842 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.232 -10.883 -1.064 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.714 -10.296 1.470 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.388 -11.817 0.918 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.659 -10.284 2.774 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.552 -11.276 1.639 1.00 0.00 H new ATOM 271 N ARG A 20 7.290 -6.551 -0.504 1.00 0.00 N ATOM 272 CA ARG A 20 6.565 -5.288 -0.436 1.00 0.00 C ATOM 273 C ARG A 20 6.113 -4.847 -1.825 1.00 0.00 C ATOM 274 O ARG A 20 6.848 -4.989 -2.803 1.00 0.00 O ATOM 275 CB ARG A 20 7.441 -4.206 0.196 1.00 0.00 C ATOM 276 CG ARG A 20 8.549 -3.708 -0.719 1.00 0.00 C ATOM 277 CD ARG A 20 9.184 -2.435 -0.183 1.00 0.00 C ATOM 278 NE ARG A 20 10.423 -2.105 -0.884 1.00 0.00 N ATOM 279 CZ ARG A 20 11.583 -2.706 -0.645 1.00 0.00 C ATOM 280 NH1 ARG A 20 11.663 -3.663 0.269 1.00 0.00 N ATOM 281 NH2 ARG A 20 12.667 -2.351 -1.324 1.00 0.00 N ATOM 0 H ARG A 20 8.218 -6.483 -0.921 1.00 0.00 H new ATOM 0 HA ARG A 20 5.681 -5.437 0.185 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.812 -3.363 0.483 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.885 -4.598 1.111 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.311 -4.480 -0.823 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.145 -3.523 -1.714 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.480 -1.609 -0.282 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.389 -2.552 0.881 1.00 0.00 H new ATOM 0 HE ARG A 20 10.395 -1.374 -1.595 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.832 -3.940 0.791 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.556 -4.122 0.450 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.609 -1.617 -2.029 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.558 -2.813 -1.140 1.00 0.00 H new ATOM 295 N CYS A 21 4.900 -4.310 -1.903 1.00 0.00 N ATOM 296 CA CYS A 21 4.349 -3.847 -3.173 1.00 0.00 C ATOM 297 C CYS A 21 3.518 -2.585 -2.977 1.00 0.00 C ATOM 298 O CYS A 21 2.470 -2.613 -2.331 1.00 0.00 O ATOM 299 CB CYS A 21 3.492 -4.943 -3.809 1.00 0.00 C ATOM 300 SG CYS A 21 4.446 -6.270 -4.583 1.00 0.00 S ATOM 0 H CYS A 21 4.280 -4.184 -1.103 1.00 0.00 H new ATOM 0 HA CYS A 21 5.180 -3.613 -3.838 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.845 -5.373 -3.044 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.842 -4.492 -4.559 1.00 0.00 H new ATOM 0 HG CYS A 21 5.676 -6.221 -4.164 1.00 0.00 H new ATOM 306 N GLU A 22 3.994 -1.476 -3.537 1.00 0.00 N ATOM 307 CA GLU A 22 3.294 -0.202 -3.421 1.00 0.00 C ATOM 308 C GLU A 22 2.627 0.174 -4.742 1.00 0.00 C ATOM 309 O GLU A 22 3.045 -0.273 -5.810 1.00 0.00 O ATOM 310 CB GLU A 22 4.266 0.901 -2.995 1.00 0.00 C ATOM 311 CG GLU A 22 5.289 1.255 -4.061 1.00 0.00 C ATOM 312 CD GLU A 22 6.392 2.153 -3.535 1.00 0.00 C ATOM 313 OE1 GLU A 22 7.003 1.800 -2.505 1.00 0.00 O ATOM 314 OE2 GLU A 22 6.643 3.210 -4.152 1.00 0.00 O ATOM 0 H GLU A 22 4.860 -1.435 -4.074 1.00 0.00 H new ATOM 0 HA GLU A 22 2.520 -0.308 -2.661 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.698 1.795 -2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.789 0.584 -2.092 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.729 0.339 -4.456 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.786 1.751 -4.891 1.00 0.00 H new ATOM 321 N ASP A 23 1.588 0.999 -4.658 1.00 0.00 N ATOM 322 CA ASP A 23 0.863 1.437 -5.845 1.00 0.00 C ATOM 323 C ASP A 23 0.114 0.271 -6.484 1.00 0.00 C ATOM 324 O ASP A 23 0.155 0.086 -7.700 1.00 0.00 O ATOM 325 CB ASP A 23 1.827 2.057 -6.858 1.00 0.00 C ATOM 326 CG ASP A 23 1.104 2.772 -7.982 1.00 0.00 C ATOM 327 OD1 ASP A 23 0.652 3.916 -7.764 1.00 0.00 O ATOM 328 OD2 ASP A 23 0.990 2.189 -9.081 1.00 0.00 O ATOM 0 H ASP A 23 1.230 1.377 -3.781 1.00 0.00 H new ATOM 0 HA ASP A 23 0.136 2.190 -5.540 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.484 2.761 -6.347 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.461 1.276 -7.277 1.00 0.00 H new ATOM 333 N VAL A 24 -0.570 -0.511 -5.656 1.00 0.00 N ATOM 334 CA VAL A 24 -1.329 -1.659 -6.141 1.00 0.00 C ATOM 335 C VAL A 24 -2.826 -1.366 -6.144 1.00 0.00 C ATOM 336 O VAL A 24 -3.452 -1.271 -5.090 1.00 0.00 O ATOM 337 CB VAL A 24 -1.065 -2.909 -5.281 1.00 0.00 C ATOM 338 CG1 VAL A 24 0.406 -3.294 -5.336 1.00 0.00 C ATOM 339 CG2 VAL A 24 -1.509 -2.673 -3.846 1.00 0.00 C ATOM 0 H VAL A 24 -0.615 -0.371 -4.647 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.996 -1.851 -7.161 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.648 -3.736 -5.686 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.574 -4.179 -4.722 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.688 -3.508 -6.367 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.012 -2.471 -4.958 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.315 -3.567 -3.253 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.955 -1.833 -3.427 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.576 -2.450 -3.827 1.00 0.00 H new ATOM 349 N GLU A 25 -3.391 -1.223 -7.339 1.00 0.00 N ATOM 350 CA GLU A 25 -4.815 -0.940 -7.480 1.00 0.00 C ATOM 351 C GLU A 25 -5.654 -2.126 -7.015 1.00 0.00 C ATOM 352 O GLU A 25 -5.741 -3.147 -7.698 1.00 0.00 O ATOM 353 CB GLU A 25 -5.148 -0.604 -8.936 1.00 0.00 C ATOM 354 CG GLU A 25 -4.403 0.609 -9.466 1.00 0.00 C ATOM 355 CD GLU A 25 -5.050 1.193 -10.708 1.00 0.00 C ATOM 356 OE1 GLU A 25 -6.010 1.979 -10.562 1.00 0.00 O ATOM 357 OE2 GLU A 25 -4.598 0.864 -11.824 1.00 0.00 O ATOM 0 H GLU A 25 -2.886 -1.298 -8.222 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.053 -0.081 -6.852 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.914 -1.465 -9.562 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.220 -0.428 -9.023 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.360 1.373 -8.689 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.375 0.328 -9.694 1.00 0.00 H new ATOM 364 N THR A 26 -6.270 -1.986 -5.846 1.00 0.00 N ATOM 365 CA THR A 26 -7.102 -3.045 -5.287 1.00 0.00 C ATOM 366 C THR A 26 -8.213 -3.439 -6.253 1.00 0.00 C ATOM 367 O THR A 26 -8.282 -2.935 -7.374 1.00 0.00 O ATOM 368 CB THR A 26 -7.729 -2.618 -3.946 1.00 0.00 C ATOM 369 OG1 THR A 26 -8.617 -1.513 -4.151 1.00 0.00 O ATOM 370 CG2 THR A 26 -6.652 -2.232 -2.943 1.00 0.00 C ATOM 0 H THR A 26 -6.209 -1.149 -5.267 1.00 0.00 H new ATOM 0 HA THR A 26 -6.451 -3.903 -5.118 1.00 0.00 H new ATOM 0 HB THR A 26 -8.288 -3.463 -3.546 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.118 -0.673 -4.072 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.119 -1.934 -2.004 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.996 -3.085 -2.768 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.068 -1.400 -3.338 1.00 0.00 H new ATOM 378 N ALA A 27 -9.081 -4.343 -5.811 1.00 0.00 N ATOM 379 CA ALA A 27 -10.191 -4.803 -6.636 1.00 0.00 C ATOM 380 C ALA A 27 -11.006 -3.627 -7.165 1.00 0.00 C ATOM 381 O ALA A 27 -11.328 -3.567 -8.351 1.00 0.00 O ATOM 382 CB ALA A 27 -11.080 -5.751 -5.844 1.00 0.00 C ATOM 0 H ALA A 27 -9.037 -4.771 -4.886 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.779 -5.339 -7.491 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.905 -6.087 -6.472 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.496 -6.613 -5.521 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.477 -5.233 -4.971 1.00 0.00 H new ATOM 388 N GLU A 28 -11.337 -2.696 -6.276 1.00 0.00 N ATOM 389 CA GLU A 28 -12.117 -1.522 -6.654 1.00 0.00 C ATOM 390 C GLU A 28 -11.330 -0.633 -7.610 1.00 0.00 C ATOM 391 O GLU A 28 -11.879 -0.097 -8.573 1.00 0.00 O ATOM 392 CB GLU A 28 -12.518 -0.726 -5.410 1.00 0.00 C ATOM 393 CG GLU A 28 -11.353 -0.418 -4.484 1.00 0.00 C ATOM 394 CD GLU A 28 -11.743 0.500 -3.343 1.00 0.00 C ATOM 395 OE1 GLU A 28 -12.449 1.499 -3.598 1.00 0.00 O ATOM 396 OE2 GLU A 28 -11.341 0.221 -2.194 1.00 0.00 O ATOM 0 H GLU A 28 -11.078 -2.731 -5.290 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.019 -1.864 -7.162 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.981 0.210 -5.721 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.272 -1.286 -4.858 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.960 -1.350 -4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.549 0.043 -5.058 1.00 0.00 H new ATOM 403 N GLY A 29 -10.038 -0.476 -7.338 1.00 0.00 N ATOM 404 CA GLY A 29 -9.196 0.351 -8.181 1.00 0.00 C ATOM 405 C GLY A 29 -8.486 1.440 -7.402 1.00 0.00 C ATOM 406 O GLY A 29 -8.523 2.610 -7.781 1.00 0.00 O ATOM 0 H GLY A 29 -9.559 -0.908 -6.547 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.456 -0.277 -8.678 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.805 0.806 -8.963 1.00 0.00 H new ATOM 410 N VAL A 30 -7.836 1.055 -6.308 1.00 0.00 N ATOM 411 CA VAL A 30 -7.115 2.007 -5.472 1.00 0.00 C ATOM 412 C VAL A 30 -5.719 1.493 -5.134 1.00 0.00 C ATOM 413 O VAL A 30 -5.563 0.387 -4.619 1.00 0.00 O ATOM 414 CB VAL A 30 -7.875 2.295 -4.164 1.00 0.00 C ATOM 415 CG1 VAL A 30 -7.204 3.422 -3.394 1.00 0.00 C ATOM 416 CG2 VAL A 30 -9.329 2.633 -4.458 1.00 0.00 C ATOM 0 H VAL A 30 -7.794 0.090 -5.980 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.031 2.931 -6.044 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.851 1.399 -3.544 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.755 3.612 -2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.180 3.138 -3.152 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.196 4.325 -4.004 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.852 2.834 -3.523 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.376 3.515 -5.097 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.803 1.792 -4.965 1.00 0.00 H new ATOM 426 N ALA A 31 -4.709 2.306 -5.425 1.00 0.00 N ATOM 427 CA ALA A 31 -3.326 1.935 -5.149 1.00 0.00 C ATOM 428 C ALA A 31 -3.042 1.956 -3.651 1.00 0.00 C ATOM 429 O ALA A 31 -3.236 2.974 -2.986 1.00 0.00 O ATOM 430 CB ALA A 31 -2.373 2.868 -5.881 1.00 0.00 C ATOM 0 H ALA A 31 -4.822 3.226 -5.852 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.169 0.918 -5.509 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.344 2.579 -5.666 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.552 2.802 -6.954 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.540 3.892 -5.548 1.00 0.00 H new ATOM 436 N LEU A 32 -2.581 0.827 -3.126 1.00 0.00 N ATOM 437 CA LEU A 32 -2.269 0.714 -1.704 1.00 0.00 C ATOM 438 C LEU A 32 -0.806 0.336 -1.496 1.00 0.00 C ATOM 439 O LEU A 32 -0.123 -0.086 -2.430 1.00 0.00 O ATOM 440 CB LEU A 32 -3.176 -0.325 -1.044 1.00 0.00 C ATOM 441 CG LEU A 32 -4.488 0.202 -0.460 1.00 0.00 C ATOM 442 CD1 LEU A 32 -4.243 0.864 0.888 1.00 0.00 C ATOM 443 CD2 LEU A 32 -5.146 1.178 -1.424 1.00 0.00 C ATOM 0 H LEU A 32 -2.414 -0.024 -3.663 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.443 1.685 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.412 -1.092 -1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.616 -0.812 -0.246 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.163 -0.641 -0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.187 1.233 1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.815 0.137 1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.551 1.697 0.764 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.078 1.543 -0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.476 2.019 -1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.356 0.673 -2.367 1.00 0.00 H new ATOM 455 N THR A 33 -0.331 0.487 -0.263 1.00 0.00 N ATOM 456 CA THR A 33 1.049 0.159 0.069 1.00 0.00 C ATOM 457 C THR A 33 1.116 -0.885 1.178 1.00 0.00 C ATOM 458 O THR A 33 0.711 -0.627 2.312 1.00 0.00 O ATOM 459 CB THR A 33 1.833 1.410 0.510 1.00 0.00 C ATOM 460 OG1 THR A 33 1.465 2.531 -0.303 1.00 0.00 O ATOM 461 CG2 THR A 33 3.332 1.174 0.409 1.00 0.00 C ATOM 0 H THR A 33 -0.882 0.834 0.522 1.00 0.00 H new ATOM 0 HA THR A 33 1.503 -0.246 -0.835 1.00 0.00 H new ATOM 0 HB THR A 33 1.584 1.619 1.550 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.966 3.322 -0.015 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.864 2.071 0.726 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.613 0.340 1.052 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.595 0.942 -0.623 1.00 0.00 H new ATOM 469 N VAL A 34 1.631 -2.064 0.844 1.00 0.00 N ATOM 470 CA VAL A 34 1.752 -3.146 1.812 1.00 0.00 C ATOM 471 C VAL A 34 3.189 -3.647 1.900 1.00 0.00 C ATOM 472 O VAL A 34 3.703 -4.263 0.965 1.00 0.00 O ATOM 473 CB VAL A 34 0.830 -4.327 1.453 1.00 0.00 C ATOM 474 CG1 VAL A 34 1.102 -5.514 2.363 1.00 0.00 C ATOM 475 CG2 VAL A 34 -0.630 -3.907 1.533 1.00 0.00 C ATOM 0 H VAL A 34 1.971 -2.293 -0.090 1.00 0.00 H new ATOM 0 HA VAL A 34 1.452 -2.740 2.778 1.00 0.00 H new ATOM 0 HB VAL A 34 1.041 -4.631 0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.441 -6.338 2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.139 -5.829 2.250 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.921 -5.227 3.399 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.267 -4.754 1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.858 -3.575 2.546 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.813 -3.091 0.834 1.00 0.00 H new ATOM 485 N THR A 35 3.835 -3.380 3.030 1.00 0.00 N ATOM 486 CA THR A 35 5.215 -3.802 3.241 1.00 0.00 C ATOM 487 C THR A 35 5.343 -5.318 3.163 1.00 0.00 C ATOM 488 O THR A 35 6.149 -5.845 2.397 1.00 0.00 O ATOM 489 CB THR A 35 5.747 -3.322 4.605 1.00 0.00 C ATOM 490 OG1 THR A 35 5.547 -1.911 4.739 1.00 0.00 O ATOM 491 CG2 THR A 35 7.226 -3.646 4.752 1.00 0.00 C ATOM 0 H THR A 35 3.425 -2.873 3.814 1.00 0.00 H new ATOM 0 HA THR A 35 5.810 -3.348 2.448 1.00 0.00 H new ATOM 0 HB THR A 35 5.197 -3.842 5.389 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.886 -1.614 5.609 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.580 -3.298 5.722 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.372 -4.724 4.678 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.788 -3.149 3.961 1.00 0.00 H new ATOM 499 N GLY A 36 4.542 -6.018 3.962 1.00 0.00 N ATOM 500 CA GLY A 36 4.581 -7.469 3.968 1.00 0.00 C ATOM 501 C GLY A 36 5.898 -8.010 4.490 1.00 0.00 C ATOM 502 O GLY A 36 6.959 -7.443 4.228 1.00 0.00 O ATOM 0 H GLY A 36 3.867 -5.605 4.605 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.766 -7.849 4.584 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.415 -7.838 2.956 1.00 0.00 H new ATOM 506 N VAL A 37 5.830 -9.112 5.231 1.00 0.00 N ATOM 507 CA VAL A 37 7.025 -9.730 5.792 1.00 0.00 C ATOM 508 C VAL A 37 6.878 -11.246 5.863 1.00 0.00 C ATOM 509 O VAL A 37 5.999 -11.763 6.550 1.00 0.00 O ATOM 510 CB VAL A 37 7.328 -9.188 7.202 1.00 0.00 C ATOM 511 CG1 VAL A 37 8.283 -10.117 7.938 1.00 0.00 C ATOM 512 CG2 VAL A 37 7.896 -7.780 7.121 1.00 0.00 C ATOM 0 H VAL A 37 4.960 -9.595 5.456 1.00 0.00 H new ATOM 0 HA VAL A 37 7.853 -9.479 5.129 1.00 0.00 H new ATOM 0 HB VAL A 37 6.395 -9.146 7.764 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.485 -9.718 8.932 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.832 -11.105 8.029 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.217 -10.194 7.381 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.104 -7.413 8.126 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.819 -7.793 6.541 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.173 -7.123 6.638 1.00 0.00 H new ATOM 522 N ALA A 38 7.746 -11.953 5.146 1.00 0.00 N ATOM 523 CA ALA A 38 7.716 -13.410 5.129 1.00 0.00 C ATOM 524 C ALA A 38 9.124 -13.990 5.178 1.00 0.00 C ATOM 525 O ALA A 38 10.083 -13.350 4.744 1.00 0.00 O ATOM 526 CB ALA A 38 6.980 -13.907 3.894 1.00 0.00 C ATOM 0 H ALA A 38 8.479 -11.540 4.569 1.00 0.00 H new ATOM 0 HA ALA A 38 7.183 -13.748 6.018 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.965 -14.997 3.894 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.957 -13.530 3.904 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.490 -13.551 2.999 1.00 0.00 H new ATOM 532 N GLN A 39 9.243 -15.203 5.708 1.00 0.00 N ATOM 533 CA GLN A 39 10.537 -15.867 5.814 1.00 0.00 C ATOM 534 C GLN A 39 10.668 -16.971 4.770 1.00 0.00 C ATOM 535 O GLN A 39 9.673 -17.556 4.341 1.00 0.00 O ATOM 536 CB GLN A 39 10.721 -16.449 7.216 1.00 0.00 C ATOM 537 CG GLN A 39 11.931 -17.361 7.342 1.00 0.00 C ATOM 538 CD GLN A 39 12.516 -17.365 8.741 1.00 0.00 C ATOM 539 OE1 GLN A 39 12.239 -18.260 9.539 1.00 0.00 O ATOM 540 NE2 GLN A 39 13.331 -16.362 9.045 1.00 0.00 N ATOM 0 H GLN A 39 8.459 -15.746 6.071 1.00 0.00 H new ATOM 0 HA GLN A 39 11.315 -15.126 5.632 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.817 -15.631 7.930 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.826 -17.007 7.489 1.00 0.00 H new ATOM 0 HG2 GLN A 39 11.645 -18.377 7.069 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.696 -17.043 6.633 1.00 0.00 H new ATOM 0 HE21 GLN A 39 13.533 -15.641 8.352 1.00 0.00 H new ATOM 0 HE22 GLN A 39 13.755 -16.312 9.971 1.00 0.00 H new ATOM 549 N VAL A 40 11.903 -17.252 4.365 1.00 0.00 N ATOM 550 CA VAL A 40 12.165 -18.286 3.372 1.00 0.00 C ATOM 551 C VAL A 40 13.583 -18.831 3.506 1.00 0.00 C ATOM 552 O VAL A 40 14.462 -18.171 4.062 1.00 0.00 O ATOM 553 CB VAL A 40 11.964 -17.754 1.941 1.00 0.00 C ATOM 554 CG1 VAL A 40 13.116 -16.844 1.543 1.00 0.00 C ATOM 555 CG2 VAL A 40 11.822 -18.908 0.959 1.00 0.00 C ATOM 0 H VAL A 40 12.737 -16.777 4.710 1.00 0.00 H new ATOM 0 HA VAL A 40 11.452 -19.089 3.556 1.00 0.00 H new ATOM 0 HB VAL A 40 11.045 -17.169 1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.957 -16.478 0.529 1.00 0.00 H new ATOM 0 HG12 VAL A 40 13.167 -15.999 2.230 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.051 -17.402 1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.681 -18.514 -0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.723 -19.521 0.985 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.961 -19.516 1.235 1.00 0.00 H new ATOM 565 N LYS A 41 13.799 -20.037 2.994 1.00 0.00 N ATOM 566 CA LYS A 41 15.110 -20.671 3.054 1.00 0.00 C ATOM 567 C LYS A 41 15.241 -21.754 1.987 1.00 0.00 C ATOM 568 O LYS A 41 14.258 -22.398 1.621 1.00 0.00 O ATOM 569 CB LYS A 41 15.345 -21.275 4.440 1.00 0.00 C ATOM 570 CG LYS A 41 14.164 -22.075 4.962 1.00 0.00 C ATOM 571 CD LYS A 41 14.616 -23.215 5.859 1.00 0.00 C ATOM 572 CE LYS A 41 14.915 -24.471 5.056 1.00 0.00 C ATOM 573 NZ LYS A 41 15.438 -25.569 5.917 1.00 0.00 N ATOM 0 H LYS A 41 13.082 -20.596 2.532 1.00 0.00 H new ATOM 0 HA LYS A 41 15.864 -19.907 2.865 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.222 -21.921 4.402 1.00 0.00 H new ATOM 0 HB3 LYS A 41 15.570 -20.473 5.143 1.00 0.00 H new ATOM 0 HG2 LYS A 41 13.495 -21.418 5.517 1.00 0.00 H new ATOM 0 HG3 LYS A 41 13.595 -22.475 4.123 1.00 0.00 H new ATOM 0 HD2 LYS A 41 15.507 -22.914 6.411 1.00 0.00 H new ATOM 0 HD3 LYS A 41 13.842 -23.429 6.596 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.008 -24.805 4.553 1.00 0.00 H new ATOM 0 HE3 LYS A 41 15.644 -24.240 4.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 15.629 -26.407 5.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.318 -25.260 6.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.732 -25.807 6.643 1.00 0.00 H new ATOM 587 N ILE A 42 16.459 -21.947 1.494 1.00 0.00 N ATOM 588 CA ILE A 42 16.717 -22.954 0.471 1.00 0.00 C ATOM 589 C ILE A 42 16.537 -24.362 1.028 1.00 0.00 C ATOM 590 O ILE A 42 16.956 -24.656 2.148 1.00 0.00 O ATOM 591 CB ILE A 42 18.139 -22.820 -0.104 1.00 0.00 C ATOM 592 CG1 ILE A 42 18.172 -21.749 -1.196 1.00 0.00 C ATOM 593 CG2 ILE A 42 18.617 -24.156 -0.651 1.00 0.00 C ATOM 594 CD1 ILE A 42 18.579 -20.382 -0.690 1.00 0.00 C ATOM 0 H ILE A 42 17.282 -21.420 1.785 1.00 0.00 H new ATOM 0 HA ILE A 42 15.994 -22.786 -0.327 1.00 0.00 H new ATOM 0 HB ILE A 42 18.812 -22.516 0.698 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.866 -22.060 -1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.186 -21.679 -1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 42 19.624 -24.045 -1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 42 18.626 -24.895 0.150 1.00 0.00 H new ATOM 0 HG23 ILE A 42 17.944 -24.487 -1.442 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.581 -19.673 -1.518 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.872 -20.050 0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 42 19.578 -20.437 -0.257 1.00 0.00 H new ATOM 606 N MET A 43 15.912 -25.229 0.239 1.00 0.00 N ATOM 607 CA MET A 43 15.679 -26.608 0.652 1.00 0.00 C ATOM 608 C MET A 43 16.987 -27.393 0.692 1.00 0.00 C ATOM 609 O MET A 43 18.064 -26.836 0.471 1.00 0.00 O ATOM 610 CB MET A 43 14.692 -27.289 -0.298 1.00 0.00 C ATOM 611 CG MET A 43 13.266 -26.784 -0.156 1.00 0.00 C ATOM 612 SD MET A 43 12.110 -27.658 -1.228 1.00 0.00 S ATOM 613 CE MET A 43 11.087 -26.303 -1.799 1.00 0.00 C ATOM 0 H MET A 43 15.558 -25.001 -0.690 1.00 0.00 H new ATOM 0 HA MET A 43 15.254 -26.592 1.656 1.00 0.00 H new ATOM 0 HB2 MET A 43 15.023 -27.134 -1.325 1.00 0.00 H new ATOM 0 HB3 MET A 43 14.708 -28.364 -0.116 1.00 0.00 H new ATOM 0 HG2 MET A 43 12.948 -26.893 0.881 1.00 0.00 H new ATOM 0 HG3 MET A 43 13.237 -25.719 -0.388 1.00 0.00 H new ATOM 0 HE1 MET A 43 10.038 -26.536 -1.615 1.00 0.00 H new ATOM 0 HE2 MET A 43 11.356 -25.393 -1.263 1.00 0.00 H new ATOM 0 HE3 MET A 43 11.243 -26.154 -2.867 1.00 0.00 H new ATOM 737 N VAL A 51 17.989 -29.171 -10.072 1.00 0.00 N ATOM 738 CA VAL A 51 16.938 -28.210 -10.386 1.00 0.00 C ATOM 739 C VAL A 51 17.293 -26.820 -9.869 1.00 0.00 C ATOM 740 O VAL A 51 16.935 -25.811 -10.476 1.00 0.00 O ATOM 741 CB VAL A 51 15.586 -28.639 -9.784 1.00 0.00 C ATOM 742 CG1 VAL A 51 15.703 -28.811 -8.277 1.00 0.00 C ATOM 743 CG2 VAL A 51 14.504 -27.629 -10.131 1.00 0.00 C ATOM 0 HA VAL A 51 16.851 -28.180 -11.472 1.00 0.00 H new ATOM 0 HB VAL A 51 15.305 -29.600 -10.215 1.00 0.00 H new ATOM 0 HG11 VAL A 51 14.739 -29.114 -7.869 1.00 0.00 H new ATOM 0 HG12 VAL A 51 16.447 -29.576 -8.055 1.00 0.00 H new ATOM 0 HG13 VAL A 51 16.007 -27.867 -7.826 1.00 0.00 H new ATOM 0 HG21 VAL A 51 13.556 -27.948 -9.698 1.00 0.00 H new ATOM 0 HG22 VAL A 51 14.776 -26.652 -9.730 1.00 0.00 H new ATOM 0 HG23 VAL A 51 14.403 -27.561 -11.214 1.00 0.00 H new ATOM 753 N ALA A 52 18.000 -26.775 -8.745 1.00 0.00 N ATOM 754 CA ALA A 52 18.406 -25.509 -8.148 1.00 0.00 C ATOM 755 C ALA A 52 19.923 -25.423 -8.021 1.00 0.00 C ATOM 756 O ALA A 52 20.446 -24.630 -7.237 1.00 0.00 O ATOM 757 CB ALA A 52 17.750 -25.332 -6.786 1.00 0.00 C ATOM 0 H ALA A 52 18.304 -27.601 -8.229 1.00 0.00 H new ATOM 0 HA ALA A 52 18.076 -24.704 -8.805 1.00 0.00 H new ATOM 0 HB1 ALA A 52 18.063 -24.382 -6.352 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.666 -25.339 -6.901 1.00 0.00 H new ATOM 0 HB3 ALA A 52 18.051 -26.148 -6.128 1.00 0.00 H new ATOM 763 N CYS A 53 20.624 -26.243 -8.796 1.00 0.00 N ATOM 764 CA CYS A 53 22.082 -26.261 -8.770 1.00 0.00 C ATOM 765 C CYS A 53 22.657 -25.258 -9.764 1.00 0.00 C ATOM 766 O CYS A 53 23.700 -24.652 -9.517 1.00 0.00 O ATOM 767 CB CYS A 53 22.602 -27.664 -9.084 1.00 0.00 C ATOM 768 SG CYS A 53 22.918 -27.958 -10.839 1.00 0.00 S ATOM 0 H CYS A 53 20.206 -26.904 -9.450 1.00 0.00 H new ATOM 0 HA CYS A 53 22.405 -25.978 -7.768 1.00 0.00 H new ATOM 0 HB2 CYS A 53 23.524 -27.831 -8.527 1.00 0.00 H new ATOM 0 HB3 CYS A 53 21.877 -28.396 -8.729 1.00 0.00 H new ATOM 0 HG CYS A 53 23.357 -29.171 -11.004 1.00 0.00 H new ATOM 774 N GLU A 54 21.969 -25.088 -10.890 1.00 0.00 N ATOM 775 CA GLU A 54 22.414 -24.160 -11.923 1.00 0.00 C ATOM 776 C GLU A 54 21.543 -22.908 -11.939 1.00 0.00 C ATOM 777 O GLU A 54 21.964 -21.854 -12.415 1.00 0.00 O ATOM 778 CB GLU A 54 22.381 -24.836 -13.295 1.00 0.00 C ATOM 779 CG GLU A 54 23.122 -24.063 -14.372 1.00 0.00 C ATOM 780 CD GLU A 54 24.628 -24.194 -14.252 1.00 0.00 C ATOM 781 OE1 GLU A 54 25.229 -23.434 -13.463 1.00 0.00 O ATOM 782 OE2 GLU A 54 25.206 -25.056 -14.946 1.00 0.00 O ATOM 0 H GLU A 54 21.103 -25.580 -11.109 1.00 0.00 H new ATOM 0 HA GLU A 54 23.439 -23.866 -11.696 1.00 0.00 H new ATOM 0 HB2 GLU A 54 22.816 -25.832 -13.210 1.00 0.00 H new ATOM 0 HB3 GLU A 54 21.343 -24.966 -13.602 1.00 0.00 H new ATOM 0 HG2 GLU A 54 22.807 -24.420 -15.352 1.00 0.00 H new ATOM 0 HG3 GLU A 54 22.847 -23.010 -14.313 1.00 0.00 H new ATOM 789 N GLN A 55 20.327 -23.032 -11.416 1.00 0.00 N ATOM 790 CA GLN A 55 19.397 -21.910 -11.372 1.00 0.00 C ATOM 791 C GLN A 55 19.880 -20.841 -10.397 1.00 0.00 C ATOM 792 O GLN A 55 19.575 -19.659 -10.556 1.00 0.00 O ATOM 793 CB GLN A 55 18.002 -22.392 -10.969 1.00 0.00 C ATOM 794 CG GLN A 55 17.055 -21.266 -10.592 1.00 0.00 C ATOM 795 CD GLN A 55 15.607 -21.591 -10.906 1.00 0.00 C ATOM 796 OE1 GLN A 55 14.735 -21.487 -10.044 1.00 0.00 O ATOM 797 NE2 GLN A 55 15.345 -21.987 -12.146 1.00 0.00 N ATOM 0 H GLN A 55 19.963 -23.898 -11.017 1.00 0.00 H new ATOM 0 HA GLN A 55 19.348 -21.472 -12.369 1.00 0.00 H new ATOM 0 HB2 GLN A 55 17.570 -22.958 -11.794 1.00 0.00 H new ATOM 0 HB3 GLN A 55 18.093 -23.077 -10.126 1.00 0.00 H new ATOM 0 HG2 GLN A 55 17.153 -21.055 -9.527 1.00 0.00 H new ATOM 0 HG3 GLN A 55 17.344 -20.360 -11.125 1.00 0.00 H new ATOM 0 HE21 GLN A 55 16.100 -22.059 -12.829 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.389 -22.219 -12.416 1.00 0.00 H new ATOM 806 N PHE A 56 20.633 -21.264 -9.387 1.00 0.00 N ATOM 807 CA PHE A 56 21.157 -20.343 -8.386 1.00 0.00 C ATOM 808 C PHE A 56 22.655 -20.129 -8.574 1.00 0.00 C ATOM 809 O PHE A 56 23.104 -19.020 -8.867 1.00 0.00 O ATOM 810 CB PHE A 56 20.878 -20.875 -6.978 1.00 0.00 C ATOM 811 CG PHE A 56 19.415 -20.959 -6.648 1.00 0.00 C ATOM 812 CD1 PHE A 56 18.549 -19.943 -7.015 1.00 0.00 C ATOM 813 CD2 PHE A 56 18.909 -22.055 -5.968 1.00 0.00 C ATOM 814 CE1 PHE A 56 17.202 -20.018 -6.712 1.00 0.00 C ATOM 815 CE2 PHE A 56 17.563 -22.137 -5.663 1.00 0.00 C ATOM 816 CZ PHE A 56 16.709 -21.116 -6.035 1.00 0.00 C ATOM 0 H PHE A 56 20.894 -22.239 -9.240 1.00 0.00 H new ATOM 0 HA PHE A 56 20.654 -19.384 -8.511 1.00 0.00 H new ATOM 0 HB2 PHE A 56 21.322 -21.865 -6.878 1.00 0.00 H new ATOM 0 HB3 PHE A 56 21.370 -20.230 -6.250 1.00 0.00 H new ATOM 0 HD1 PHE A 56 18.930 -19.082 -7.544 1.00 0.00 H new ATOM 0 HD2 PHE A 56 19.573 -22.854 -5.673 1.00 0.00 H new ATOM 0 HE1 PHE A 56 16.537 -19.219 -7.004 1.00 0.00 H new ATOM 0 HE2 PHE A 56 17.180 -22.998 -5.135 1.00 0.00 H new ATOM 0 HZ PHE A 56 15.657 -21.177 -5.797 1.00 0.00 H new ATOM 904 N GLN A 62 23.399 -12.598 -4.840 1.00 0.00 N ATOM 905 CA GLN A 62 22.433 -11.506 -4.836 1.00 0.00 C ATOM 906 C GLN A 62 21.174 -11.891 -5.606 1.00 0.00 C ATOM 907 O GLN A 62 20.057 -11.619 -5.164 1.00 0.00 O ATOM 908 CB GLN A 62 23.053 -10.247 -5.445 1.00 0.00 C ATOM 909 CG GLN A 62 23.869 -9.431 -4.457 1.00 0.00 C ATOM 910 CD GLN A 62 24.987 -8.654 -5.123 1.00 0.00 C ATOM 911 OE1 GLN A 62 26.165 -8.968 -4.952 1.00 0.00 O ATOM 912 NE2 GLN A 62 24.624 -7.633 -5.890 1.00 0.00 N ATOM 0 HA GLN A 62 22.156 -11.302 -3.802 1.00 0.00 H new ATOM 0 HB2 GLN A 62 23.691 -10.534 -6.281 1.00 0.00 H new ATOM 0 HB3 GLN A 62 22.259 -9.621 -5.851 1.00 0.00 H new ATOM 0 HG2 GLN A 62 23.211 -8.737 -3.934 1.00 0.00 H new ATOM 0 HG3 GLN A 62 24.293 -10.096 -3.705 1.00 0.00 H new ATOM 0 HE21 GLN A 62 23.636 -7.407 -6.004 1.00 0.00 H new ATOM 0 HE22 GLN A 62 25.333 -7.074 -6.365 1.00 0.00 H new ATOM 921 N ASP A 63 21.362 -12.525 -6.759 1.00 0.00 N ATOM 922 CA ASP A 63 20.241 -12.947 -7.590 1.00 0.00 C ATOM 923 C ASP A 63 19.266 -13.809 -6.792 1.00 0.00 C ATOM 924 O ASP A 63 18.078 -13.497 -6.699 1.00 0.00 O ATOM 925 CB ASP A 63 20.745 -13.723 -8.808 1.00 0.00 C ATOM 926 CG ASP A 63 21.620 -12.876 -9.711 1.00 0.00 C ATOM 927 OD1 ASP A 63 22.666 -12.388 -9.236 1.00 0.00 O ATOM 928 OD2 ASP A 63 21.257 -12.702 -10.893 1.00 0.00 O ATOM 0 H ASP A 63 22.280 -12.758 -7.139 1.00 0.00 H new ATOM 0 HA ASP A 63 19.716 -12.054 -7.928 1.00 0.00 H new ATOM 0 HB2 ASP A 63 21.309 -14.594 -8.473 1.00 0.00 H new ATOM 0 HB3 ASP A 63 19.893 -14.095 -9.377 1.00 0.00 H new ATOM 933 N ILE A 64 19.777 -14.893 -6.216 1.00 0.00 N ATOM 934 CA ILE A 64 18.953 -15.798 -5.426 1.00 0.00 C ATOM 935 C ILE A 64 17.932 -15.028 -4.595 1.00 0.00 C ATOM 936 O ILE A 64 16.726 -15.131 -4.820 1.00 0.00 O ATOM 937 CB ILE A 64 19.810 -16.668 -4.489 1.00 0.00 C ATOM 938 CG1 ILE A 64 20.509 -17.774 -5.281 1.00 0.00 C ATOM 939 CG2 ILE A 64 18.951 -17.262 -3.383 1.00 0.00 C ATOM 940 CD1 ILE A 64 21.863 -17.368 -5.821 1.00 0.00 C ATOM 0 H ILE A 64 20.758 -15.165 -6.282 1.00 0.00 H new ATOM 0 HA ILE A 64 18.431 -16.445 -6.131 1.00 0.00 H new ATOM 0 HB ILE A 64 20.573 -16.039 -4.030 1.00 0.00 H new ATOM 0 HG12 ILE A 64 20.630 -18.648 -4.640 1.00 0.00 H new ATOM 0 HG13 ILE A 64 19.870 -18.074 -6.112 1.00 0.00 H new ATOM 0 HG21 ILE A 64 19.572 -17.874 -2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 64 18.497 -16.458 -2.804 1.00 0.00 H new ATOM 0 HG23 ILE A 64 18.168 -17.880 -3.823 1.00 0.00 H new ATOM 0 HD11 ILE A 64 22.300 -18.201 -6.371 1.00 0.00 H new ATOM 0 HD12 ILE A 64 21.747 -16.513 -6.488 1.00 0.00 H new ATOM 0 HD13 ILE A 64 22.518 -17.096 -4.993 1.00 0.00 H new ATOM 952 N LYS A 65 18.424 -14.254 -3.633 1.00 0.00 N ATOM 953 CA LYS A 65 17.556 -13.463 -2.769 1.00 0.00 C ATOM 954 C LYS A 65 16.477 -12.755 -3.582 1.00 0.00 C ATOM 955 O LYS A 65 15.318 -12.698 -3.174 1.00 0.00 O ATOM 956 CB LYS A 65 18.380 -12.433 -1.990 1.00 0.00 C ATOM 957 CG LYS A 65 18.907 -12.954 -0.665 1.00 0.00 C ATOM 958 CD LYS A 65 20.041 -13.945 -0.866 1.00 0.00 C ATOM 959 CE LYS A 65 20.440 -14.611 0.443 1.00 0.00 C ATOM 960 NZ LYS A 65 21.204 -15.868 0.214 1.00 0.00 N ATOM 0 H LYS A 65 19.419 -14.158 -3.432 1.00 0.00 H new ATOM 0 HA LYS A 65 17.071 -14.140 -2.066 1.00 0.00 H new ATOM 0 HB2 LYS A 65 19.221 -12.112 -2.605 1.00 0.00 H new ATOM 0 HB3 LYS A 65 17.765 -11.552 -1.806 1.00 0.00 H new ATOM 0 HG2 LYS A 65 19.256 -12.119 -0.058 1.00 0.00 H new ATOM 0 HG3 LYS A 65 18.098 -13.433 -0.114 1.00 0.00 H new ATOM 0 HD2 LYS A 65 19.737 -14.706 -1.585 1.00 0.00 H new ATOM 0 HD3 LYS A 65 20.903 -13.431 -1.291 1.00 0.00 H new ATOM 0 HE2 LYS A 65 21.044 -13.921 1.032 1.00 0.00 H new ATOM 0 HE3 LYS A 65 19.546 -14.830 1.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 21.458 -16.292 1.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 20.619 -16.536 -0.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 22.070 -15.655 -0.321 1.00 0.00 H new ATOM 974 N ASN A 66 16.866 -12.218 -4.734 1.00 0.00 N ATOM 975 CA ASN A 66 15.931 -11.515 -5.604 1.00 0.00 C ATOM 976 C ASN A 66 14.925 -12.484 -6.217 1.00 0.00 C ATOM 977 O ASN A 66 13.732 -12.429 -5.921 1.00 0.00 O ATOM 978 CB ASN A 66 16.688 -10.779 -6.712 1.00 0.00 C ATOM 979 CG ASN A 66 17.272 -9.463 -6.237 1.00 0.00 C ATOM 980 OD1 ASN A 66 16.762 -8.391 -6.562 1.00 0.00 O ATOM 981 ND2 ASN A 66 18.349 -9.540 -5.463 1.00 0.00 N ATOM 0 H ASN A 66 17.822 -12.256 -5.086 1.00 0.00 H new ATOM 0 HA ASN A 66 15.387 -10.788 -5.000 1.00 0.00 H new ATOM 0 HB2 ASN A 66 17.490 -11.416 -7.085 1.00 0.00 H new ATOM 0 HB3 ASN A 66 16.013 -10.593 -7.548 1.00 0.00 H new ATOM 0 HD21 ASN A 66 18.787 -8.688 -5.113 1.00 0.00 H new ATOM 0 HD22 ASN A 66 18.738 -10.451 -5.219 1.00 0.00 H new ATOM 988 N VAL A 67 15.416 -13.375 -7.074 1.00 0.00 N ATOM 989 CA VAL A 67 14.562 -14.358 -7.729 1.00 0.00 C ATOM 990 C VAL A 67 13.445 -14.821 -6.799 1.00 0.00 C ATOM 991 O VAL A 67 12.273 -14.829 -7.176 1.00 0.00 O ATOM 992 CB VAL A 67 15.370 -15.585 -8.192 1.00 0.00 C ATOM 993 CG1 VAL A 67 14.464 -16.591 -8.886 1.00 0.00 C ATOM 994 CG2 VAL A 67 16.507 -15.158 -9.107 1.00 0.00 C ATOM 0 H VAL A 67 16.401 -13.436 -7.330 1.00 0.00 H new ATOM 0 HA VAL A 67 14.127 -13.869 -8.601 1.00 0.00 H new ATOM 0 HB VAL A 67 15.801 -16.067 -7.315 1.00 0.00 H new ATOM 0 HG11 VAL A 67 15.053 -17.451 -9.206 1.00 0.00 H new ATOM 0 HG12 VAL A 67 13.688 -16.920 -8.194 1.00 0.00 H new ATOM 0 HG13 VAL A 67 14.001 -16.124 -9.756 1.00 0.00 H new ATOM 0 HG21 VAL A 67 17.068 -16.037 -9.425 1.00 0.00 H new ATOM 0 HG22 VAL A 67 16.099 -14.652 -9.982 1.00 0.00 H new ATOM 0 HG23 VAL A 67 17.170 -14.479 -8.571 1.00 0.00 H new ATOM 1004 N VAL A 68 13.816 -15.205 -5.582 1.00 0.00 N ATOM 1005 CA VAL A 68 12.846 -15.668 -4.597 1.00 0.00 C ATOM 1006 C VAL A 68 11.883 -14.552 -4.209 1.00 0.00 C ATOM 1007 O VAL A 68 10.665 -14.744 -4.196 1.00 0.00 O ATOM 1008 CB VAL A 68 13.543 -16.195 -3.328 1.00 0.00 C ATOM 1009 CG1 VAL A 68 12.514 -16.664 -2.310 1.00 0.00 C ATOM 1010 CG2 VAL A 68 14.509 -17.317 -3.679 1.00 0.00 C ATOM 0 H VAL A 68 14.782 -15.205 -5.254 1.00 0.00 H new ATOM 0 HA VAL A 68 12.287 -16.482 -5.060 1.00 0.00 H new ATOM 0 HB VAL A 68 14.114 -15.381 -2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.024 -17.033 -1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.866 -15.831 -2.037 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.914 -17.465 -2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.993 -17.678 -2.771 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.962 -18.135 -4.148 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.265 -16.943 -4.369 1.00 0.00 H new ATOM 1020 N LEU A 69 12.434 -13.386 -3.892 1.00 0.00 N ATOM 1021 CA LEU A 69 11.623 -12.236 -3.504 1.00 0.00 C ATOM 1022 C LEU A 69 10.590 -11.911 -4.577 1.00 0.00 C ATOM 1023 O LEU A 69 9.398 -11.799 -4.290 1.00 0.00 O ATOM 1024 CB LEU A 69 12.516 -11.019 -3.253 1.00 0.00 C ATOM 1025 CG LEU A 69 11.791 -9.700 -2.981 1.00 0.00 C ATOM 1026 CD1 LEU A 69 11.202 -9.695 -1.579 1.00 0.00 C ATOM 1027 CD2 LEU A 69 12.737 -8.523 -3.168 1.00 0.00 C ATOM 0 H LEU A 69 13.439 -13.211 -3.896 1.00 0.00 H new ATOM 0 HA LEU A 69 11.096 -12.488 -2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.163 -11.237 -2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.163 -10.883 -4.120 1.00 0.00 H new ATOM 0 HG LEU A 69 10.975 -9.601 -3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.690 -8.749 -1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.492 -10.516 -1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.001 -9.816 -0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.204 -7.593 -2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.574 -8.616 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.111 -8.516 -4.192 1.00 0.00 H new ATOM 1039 N GLN A 70 11.054 -11.764 -5.814 1.00 0.00 N ATOM 1040 CA GLN A 70 10.169 -11.453 -6.929 1.00 0.00 C ATOM 1041 C GLN A 70 8.961 -12.384 -6.942 1.00 0.00 C ATOM 1042 O GLN A 70 7.828 -11.947 -7.147 1.00 0.00 O ATOM 1043 CB GLN A 70 10.925 -11.563 -8.254 1.00 0.00 C ATOM 1044 CG GLN A 70 11.810 -10.363 -8.551 1.00 0.00 C ATOM 1045 CD GLN A 70 11.093 -9.043 -8.343 1.00 0.00 C ATOM 1046 OE1 GLN A 70 11.122 -8.540 -7.114 1.00 0.00 O flip ATOM 1047 NE2 GLN A 70 10.518 -8.482 -9.276 1.00 0.00 N flip ATOM 0 H GLN A 70 12.037 -11.855 -6.069 1.00 0.00 H new ATOM 0 HA GLN A 70 9.815 -10.430 -6.804 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.540 -12.463 -8.238 1.00 0.00 H new ATOM 0 HB3 GLN A 70 10.206 -11.683 -9.064 1.00 0.00 H new ATOM 0 HG2 GLN A 70 12.691 -10.399 -7.910 1.00 0.00 H new ATOM 0 HG3 GLN A 70 12.162 -10.422 -9.581 1.00 0.00 H new ATOM 0 HE21 GLN A 70 10.521 -8.904 -10.205 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.039 -7.595 -9.120 1.00 0.00 H new ATOM 1056 N THR A 71 9.210 -13.671 -6.723 1.00 0.00 N ATOM 1057 CA THR A 71 8.144 -14.665 -6.710 1.00 0.00 C ATOM 1058 C THR A 71 7.014 -14.248 -5.776 1.00 0.00 C ATOM 1059 O THR A 71 5.888 -14.010 -6.215 1.00 0.00 O ATOM 1060 CB THR A 71 8.669 -16.047 -6.276 1.00 0.00 C ATOM 1061 OG1 THR A 71 9.764 -16.439 -7.111 1.00 0.00 O ATOM 1062 CG2 THR A 71 7.567 -17.093 -6.352 1.00 0.00 C ATOM 0 H THR A 71 10.142 -14.050 -6.552 1.00 0.00 H new ATOM 0 HA THR A 71 7.763 -14.732 -7.729 1.00 0.00 H new ATOM 0 HB THR A 71 9.008 -15.974 -5.243 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.552 -15.898 -6.893 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.961 -18.060 -6.041 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.747 -16.806 -5.693 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.202 -17.163 -7.377 1.00 0.00 H new ATOM 1070 N LEU A 72 7.321 -14.157 -4.487 1.00 0.00 N ATOM 1071 CA LEU A 72 6.330 -13.766 -3.490 1.00 0.00 C ATOM 1072 C LEU A 72 5.755 -12.390 -3.805 1.00 0.00 C ATOM 1073 O LEU A 72 4.539 -12.197 -3.793 1.00 0.00 O ATOM 1074 CB LEU A 72 6.957 -13.762 -2.094 1.00 0.00 C ATOM 1075 CG LEU A 72 7.526 -15.097 -1.610 1.00 0.00 C ATOM 1076 CD1 LEU A 72 8.329 -14.903 -0.333 1.00 0.00 C ATOM 1077 CD2 LEU A 72 6.408 -16.105 -1.391 1.00 0.00 C ATOM 0 H LEU A 72 8.248 -14.349 -4.107 1.00 0.00 H new ATOM 0 HA LEU A 72 5.518 -14.493 -3.515 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.757 -13.022 -2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.203 -13.431 -1.380 1.00 0.00 H new ATOM 0 HG LEU A 72 8.193 -15.486 -2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.726 -15.863 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.153 -14.215 -0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.684 -14.491 0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.831 -17.049 -1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.715 -15.723 -0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.875 -16.267 -2.328 1.00 0.00 H new ATOM 1089 N GLU A 73 6.637 -11.436 -4.088 1.00 0.00 N ATOM 1090 CA GLU A 73 6.215 -10.077 -4.408 1.00 0.00 C ATOM 1091 C GLU A 73 5.156 -10.081 -5.507 1.00 0.00 C ATOM 1092 O GLU A 73 3.993 -9.758 -5.265 1.00 0.00 O ATOM 1093 CB GLU A 73 7.415 -9.236 -4.844 1.00 0.00 C ATOM 1094 CG GLU A 73 8.188 -8.629 -3.685 1.00 0.00 C ATOM 1095 CD GLU A 73 8.979 -7.400 -4.090 1.00 0.00 C ATOM 1096 OE1 GLU A 73 8.618 -6.769 -5.105 1.00 0.00 O ATOM 1097 OE2 GLU A 73 9.960 -7.070 -3.390 1.00 0.00 O ATOM 0 H GLU A 73 7.647 -11.579 -4.102 1.00 0.00 H new ATOM 0 HA GLU A 73 5.780 -9.638 -3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.089 -9.858 -5.433 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.068 -8.435 -5.497 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.492 -8.363 -2.889 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.869 -9.376 -3.276 1.00 0.00 H new ATOM 1104 N GLY A 74 5.568 -10.447 -6.718 1.00 0.00 N ATOM 1105 CA GLY A 74 4.644 -10.485 -7.835 1.00 0.00 C ATOM 1106 C GLY A 74 3.281 -11.017 -7.444 1.00 0.00 C ATOM 1107 O GLY A 74 2.255 -10.522 -7.911 1.00 0.00 O ATOM 0 H GLY A 74 6.525 -10.718 -6.944 1.00 0.00 H new ATOM 0 HA2 GLY A 74 4.534 -9.481 -8.246 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.061 -11.109 -8.626 1.00 0.00 H new ATOM 1111 N HIS A 75 3.267 -12.031 -6.584 1.00 0.00 N ATOM 1112 CA HIS A 75 2.019 -12.631 -6.129 1.00 0.00 C ATOM 1113 C HIS A 75 1.264 -11.682 -5.202 1.00 0.00 C ATOM 1114 O HIS A 75 0.046 -11.534 -5.305 1.00 0.00 O ATOM 1115 CB HIS A 75 2.295 -13.953 -5.411 1.00 0.00 C ATOM 1116 CG HIS A 75 2.686 -15.066 -6.333 1.00 0.00 C ATOM 1117 ND1 HIS A 75 1.913 -15.461 -7.405 1.00 0.00 N ATOM 1118 CD2 HIS A 75 3.775 -15.867 -6.341 1.00 0.00 C ATOM 1119 CE1 HIS A 75 2.510 -16.460 -8.031 1.00 0.00 C ATOM 1120 NE2 HIS A 75 3.643 -16.725 -7.406 1.00 0.00 N ATOM 0 H HIS A 75 4.107 -12.454 -6.189 1.00 0.00 H new ATOM 0 HA HIS A 75 1.399 -12.824 -7.004 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.090 -13.801 -4.681 1.00 0.00 H new ATOM 0 HB3 HIS A 75 1.405 -14.248 -4.856 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.596 -15.838 -5.640 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.135 -16.972 -8.905 1.00 0.00 H new ATOM 0 HE2 HIS A 75 4.311 -17.449 -7.671 1.00 0.00 H new ATOM 1129 N LEU A 76 1.996 -11.043 -4.296 1.00 0.00 N ATOM 1130 CA LEU A 76 1.397 -10.109 -3.349 1.00 0.00 C ATOM 1131 C LEU A 76 0.393 -9.196 -4.047 1.00 0.00 C ATOM 1132 O LEU A 76 -0.760 -9.091 -3.630 1.00 0.00 O ATOM 1133 CB LEU A 76 2.483 -9.270 -2.674 1.00 0.00 C ATOM 1134 CG LEU A 76 2.057 -8.506 -1.420 1.00 0.00 C ATOM 1135 CD1 LEU A 76 2.141 -9.404 -0.194 1.00 0.00 C ATOM 1136 CD2 LEU A 76 2.918 -7.265 -1.233 1.00 0.00 C ATOM 0 H LEU A 76 3.005 -11.155 -4.197 1.00 0.00 H new ATOM 0 HA LEU A 76 0.869 -10.687 -2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.311 -9.928 -2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.864 -8.552 -3.401 1.00 0.00 H new ATOM 0 HG LEU A 76 1.021 -8.190 -1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.834 -8.844 0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.482 -10.262 -0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.167 -9.750 -0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.601 -6.734 -0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.963 -7.559 -1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.808 -6.612 -2.099 1.00 0.00 H new ATOM 1148 N ARG A 77 0.840 -8.539 -5.113 1.00 0.00 N ATOM 1149 CA ARG A 77 -0.020 -7.636 -5.869 1.00 0.00 C ATOM 1150 C ARG A 77 -1.149 -8.404 -6.550 1.00 0.00 C ATOM 1151 O ARG A 77 -2.323 -8.207 -6.236 1.00 0.00 O ATOM 1152 CB ARG A 77 0.798 -6.875 -6.914 1.00 0.00 C ATOM 1153 CG ARG A 77 -0.018 -5.874 -7.715 1.00 0.00 C ATOM 1154 CD ARG A 77 0.871 -4.832 -8.376 1.00 0.00 C ATOM 1155 NE ARG A 77 0.245 -4.248 -9.558 1.00 0.00 N ATOM 1156 CZ ARG A 77 0.190 -4.858 -10.737 1.00 0.00 C ATOM 1157 NH1 ARG A 77 0.721 -6.063 -10.890 1.00 0.00 N ATOM 1158 NH2 ARG A 77 -0.398 -4.262 -11.767 1.00 0.00 N ATOM 0 H ARG A 77 1.792 -8.615 -5.472 1.00 0.00 H new ATOM 0 HA ARG A 77 -0.459 -6.922 -5.172 1.00 0.00 H new ATOM 0 HB2 ARG A 77 1.612 -6.350 -6.414 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.253 -7.591 -7.599 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.593 -6.399 -8.477 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.734 -5.379 -7.059 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.099 -4.043 -7.659 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.819 -5.290 -8.657 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.173 -3.321 -9.474 1.00 0.00 H new ATOM 0 HH11 ARG A 77 1.174 -6.525 -10.101 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.677 -6.528 -11.797 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -0.808 -3.335 -11.654 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.440 -4.731 -12.672 1.00 0.00 H new ATOM 1172 N SER A 78 -0.784 -9.277 -7.483 1.00 0.00 N ATOM 1173 CA SER A 78 -1.767 -10.070 -8.212 1.00 0.00 C ATOM 1174 C SER A 78 -2.928 -10.467 -7.304 1.00 0.00 C ATOM 1175 O SER A 78 -4.094 -10.331 -7.674 1.00 0.00 O ATOM 1176 CB SER A 78 -1.110 -11.323 -8.796 1.00 0.00 C ATOM 1177 OG SER A 78 -0.610 -11.077 -10.099 1.00 0.00 O ATOM 0 H SER A 78 0.184 -9.453 -7.752 1.00 0.00 H new ATOM 0 HA SER A 78 -2.158 -9.460 -9.026 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.297 -11.647 -8.146 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.835 -12.136 -8.829 1.00 0.00 H new ATOM 0 HG SER A 78 -0.194 -11.892 -10.449 1.00 0.00 H new ATOM 1183 N ILE A 79 -2.598 -10.957 -6.115 1.00 0.00 N ATOM 1184 CA ILE A 79 -3.611 -11.372 -5.153 1.00 0.00 C ATOM 1185 C ILE A 79 -4.304 -10.165 -4.528 1.00 0.00 C ATOM 1186 O ILE A 79 -5.528 -10.039 -4.585 1.00 0.00 O ATOM 1187 CB ILE A 79 -3.004 -12.237 -4.032 1.00 0.00 C ATOM 1188 CG1 ILE A 79 -2.267 -13.439 -4.629 1.00 0.00 C ATOM 1189 CG2 ILE A 79 -4.090 -12.700 -3.072 1.00 0.00 C ATOM 1190 CD1 ILE A 79 -3.189 -14.541 -5.099 1.00 0.00 C ATOM 0 H ILE A 79 -1.637 -11.077 -5.794 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.342 -11.965 -5.703 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.287 -11.633 -3.475 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.660 -13.102 -5.469 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.583 -13.843 -3.883 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.645 -13.310 -2.286 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.576 -11.832 -2.626 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.828 -13.290 -3.615 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.598 -15.359 -5.510 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.778 -14.906 -4.258 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.856 -14.153 -5.869 1.00 0.00 H new ATOM 1202 N LEU A 80 -3.513 -9.278 -3.934 1.00 0.00 N ATOM 1203 CA LEU A 80 -4.050 -8.079 -3.299 1.00 0.00 C ATOM 1204 C LEU A 80 -5.243 -7.539 -4.080 1.00 0.00 C ATOM 1205 O LEU A 80 -6.248 -7.136 -3.495 1.00 0.00 O ATOM 1206 CB LEU A 80 -2.965 -7.006 -3.195 1.00 0.00 C ATOM 1207 CG LEU A 80 -3.279 -5.821 -2.280 1.00 0.00 C ATOM 1208 CD1 LEU A 80 -1.999 -5.245 -1.696 1.00 0.00 C ATOM 1209 CD2 LEU A 80 -4.052 -4.752 -3.037 1.00 0.00 C ATOM 0 H LEU A 80 -2.498 -9.366 -3.879 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.386 -8.346 -2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.048 -7.478 -2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.763 -6.623 -4.196 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.901 -6.176 -1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.242 -4.403 -1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.486 -6.013 -1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.351 -4.906 -2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.266 -3.917 -2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.456 -4.400 -3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.988 -5.172 -3.405 1.00 0.00 H new ATOM 1221 N GLY A 81 -5.127 -7.536 -5.404 1.00 0.00 N ATOM 1222 CA GLY A 81 -6.205 -7.044 -6.242 1.00 0.00 C ATOM 1223 C GLY A 81 -7.510 -7.774 -5.996 1.00 0.00 C ATOM 1224 O GLY A 81 -8.566 -7.152 -5.875 1.00 0.00 O ATOM 0 H GLY A 81 -4.306 -7.865 -5.912 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.348 -5.979 -6.057 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.924 -7.151 -7.290 1.00 0.00 H new ATOM 1228 N THR A 82 -7.440 -9.100 -5.921 1.00 0.00 N ATOM 1229 CA THR A 82 -8.626 -9.915 -5.689 1.00 0.00 C ATOM 1230 C THR A 82 -9.422 -9.403 -4.495 1.00 0.00 C ATOM 1231 O THR A 82 -10.649 -9.502 -4.465 1.00 0.00 O ATOM 1232 CB THR A 82 -8.254 -11.391 -5.449 1.00 0.00 C ATOM 1233 OG1 THR A 82 -7.484 -11.512 -4.248 1.00 0.00 O ATOM 1234 CG2 THR A 82 -7.464 -11.949 -6.623 1.00 0.00 C ATOM 0 H THR A 82 -6.575 -9.632 -6.018 1.00 0.00 H new ATOM 0 HA THR A 82 -9.239 -9.843 -6.587 1.00 0.00 H new ATOM 0 HB THR A 82 -9.176 -11.964 -5.349 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.905 -10.728 -4.150 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.213 -12.992 -6.430 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.064 -11.882 -7.530 1.00 0.00 H new ATOM 0 HG23 THR A 82 -6.547 -11.373 -6.751 1.00 0.00 H new ATOM 1242 N LEU A 83 -8.717 -8.851 -3.513 1.00 0.00 N ATOM 1243 CA LEU A 83 -9.359 -8.322 -2.315 1.00 0.00 C ATOM 1244 C LEU A 83 -9.559 -6.813 -2.427 1.00 0.00 C ATOM 1245 O LEU A 83 -9.000 -6.165 -3.313 1.00 0.00 O ATOM 1246 CB LEU A 83 -8.521 -8.646 -1.077 1.00 0.00 C ATOM 1247 CG LEU A 83 -8.466 -10.120 -0.672 1.00 0.00 C ATOM 1248 CD1 LEU A 83 -7.392 -10.344 0.381 1.00 0.00 C ATOM 1249 CD2 LEU A 83 -9.822 -10.582 -0.159 1.00 0.00 C ATOM 0 H LEU A 83 -7.701 -8.758 -3.523 1.00 0.00 H new ATOM 0 HA LEU A 83 -10.336 -8.794 -2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.502 -8.299 -1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.913 -8.073 -0.237 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.212 -10.710 -1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.367 -11.398 0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.422 -10.051 -0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.616 -9.743 1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.765 -11.633 0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.105 -9.987 0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.569 -10.458 -0.943 1.00 0.00 H new ATOM 1261 N THR A 84 -10.359 -6.258 -1.521 1.00 0.00 N ATOM 1262 CA THR A 84 -10.631 -4.826 -1.516 1.00 0.00 C ATOM 1263 C THR A 84 -9.885 -4.128 -0.385 1.00 0.00 C ATOM 1264 O THR A 84 -9.648 -4.715 0.671 1.00 0.00 O ATOM 1265 CB THR A 84 -12.138 -4.542 -1.375 1.00 0.00 C ATOM 1266 OG1 THR A 84 -12.618 -5.054 -0.128 1.00 0.00 O ATOM 1267 CG2 THR A 84 -12.917 -5.171 -2.521 1.00 0.00 C ATOM 0 H THR A 84 -10.830 -6.779 -0.781 1.00 0.00 H new ATOM 0 HA THR A 84 -10.283 -4.435 -2.472 1.00 0.00 H new ATOM 0 HB THR A 84 -12.286 -3.463 -1.405 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.577 -4.868 -0.045 1.00 0.00 H new ATOM 0 HG21 THR A 84 -13.979 -4.957 -2.400 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.569 -4.757 -3.468 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.762 -6.250 -2.518 1.00 0.00 H new ATOM 1275 N VAL A 85 -9.518 -2.871 -0.612 1.00 0.00 N ATOM 1276 CA VAL A 85 -8.800 -2.092 0.390 1.00 0.00 C ATOM 1277 C VAL A 85 -9.292 -2.419 1.796 1.00 0.00 C ATOM 1278 O VAL A 85 -8.494 -2.674 2.698 1.00 0.00 O ATOM 1279 CB VAL A 85 -8.957 -0.580 0.142 1.00 0.00 C ATOM 1280 CG1 VAL A 85 -8.589 0.207 1.390 1.00 0.00 C ATOM 1281 CG2 VAL A 85 -8.107 -0.143 -1.042 1.00 0.00 C ATOM 0 H VAL A 85 -9.706 -2.370 -1.481 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.747 -2.360 0.305 1.00 0.00 H new ATOM 0 HB VAL A 85 -10.001 -0.375 -0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -8.706 1.273 1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -9.243 -0.086 2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.553 -0.001 1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -8.230 0.928 -1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.059 -0.361 -0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -8.422 -0.683 -1.935 1.00 0.00 H new ATOM 1291 N GLU A 86 -10.608 -2.409 1.973 1.00 0.00 N ATOM 1292 CA GLU A 86 -11.205 -2.704 3.271 1.00 0.00 C ATOM 1293 C GLU A 86 -10.755 -4.071 3.778 1.00 0.00 C ATOM 1294 O GLU A 86 -9.999 -4.167 4.745 1.00 0.00 O ATOM 1295 CB GLU A 86 -12.732 -2.661 3.176 1.00 0.00 C ATOM 1296 CG GLU A 86 -13.314 -1.270 3.363 1.00 0.00 C ATOM 1297 CD GLU A 86 -14.749 -1.299 3.853 1.00 0.00 C ATOM 1298 OE1 GLU A 86 -15.655 -1.523 3.023 1.00 0.00 O ATOM 1299 OE2 GLU A 86 -14.965 -1.098 5.066 1.00 0.00 O ATOM 0 H GLU A 86 -11.281 -2.200 1.236 1.00 0.00 H new ATOM 0 HA GLU A 86 -10.870 -1.945 3.978 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.038 -3.046 2.203 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.153 -3.326 3.929 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.702 -0.717 4.075 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.268 -0.731 2.417 1.00 0.00 H new ATOM 1306 N GLN A 87 -11.225 -5.125 3.119 1.00 0.00 N ATOM 1307 CA GLN A 87 -10.872 -6.486 3.504 1.00 0.00 C ATOM 1308 C GLN A 87 -9.405 -6.573 3.913 1.00 0.00 C ATOM 1309 O GLN A 87 -9.086 -6.979 5.032 1.00 0.00 O ATOM 1310 CB GLN A 87 -11.149 -7.453 2.352 1.00 0.00 C ATOM 1311 CG GLN A 87 -12.608 -7.867 2.243 1.00 0.00 C ATOM 1312 CD GLN A 87 -12.784 -9.212 1.567 1.00 0.00 C ATOM 1313 OE1 GLN A 87 -12.145 -10.196 1.940 1.00 0.00 O ATOM 1314 NE2 GLN A 87 -13.654 -9.263 0.565 1.00 0.00 N ATOM 0 H GLN A 87 -11.851 -5.063 2.316 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.487 -6.765 4.360 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -10.841 -6.987 1.416 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -10.536 -8.345 2.481 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.046 -7.906 3.240 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.156 -7.109 1.683 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -14.163 -8.423 0.288 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.814 -10.142 0.072 1.00 0.00 H new ATOM 1323 N ILE A 88 -8.518 -6.189 3.002 1.00 0.00 N ATOM 1324 CA ILE A 88 -7.086 -6.223 3.270 1.00 0.00 C ATOM 1325 C ILE A 88 -6.780 -5.768 4.693 1.00 0.00 C ATOM 1326 O ILE A 88 -6.053 -6.437 5.427 1.00 0.00 O ATOM 1327 CB ILE A 88 -6.307 -5.334 2.282 1.00 0.00 C ATOM 1328 CG1 ILE A 88 -6.485 -5.847 0.852 1.00 0.00 C ATOM 1329 CG2 ILE A 88 -4.833 -5.293 2.656 1.00 0.00 C ATOM 1330 CD1 ILE A 88 -6.117 -4.829 -0.205 1.00 0.00 C ATOM 0 H ILE A 88 -8.766 -5.851 2.072 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.768 -7.258 3.146 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.704 -4.320 2.337 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.873 -6.738 0.715 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.523 -6.148 0.709 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.296 -4.661 1.949 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.724 -4.887 3.661 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.422 -6.302 2.626 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.268 -5.261 -1.194 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.747 -3.946 -0.095 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.071 -4.545 -0.088 1.00 0.00 H new ATOM 1342 N TYR A 89 -7.344 -4.629 5.078 1.00 0.00 N ATOM 1343 CA TYR A 89 -7.133 -4.084 6.414 1.00 0.00 C ATOM 1344 C TYR A 89 -7.790 -4.966 7.472 1.00 0.00 C ATOM 1345 O TYR A 89 -7.140 -5.399 8.423 1.00 0.00 O ATOM 1346 CB TYR A 89 -7.690 -2.662 6.502 1.00 0.00 C ATOM 1347 CG TYR A 89 -6.754 -1.610 5.952 1.00 0.00 C ATOM 1348 CD1 TYR A 89 -5.531 -1.353 6.560 1.00 0.00 C ATOM 1349 CD2 TYR A 89 -7.092 -0.873 4.824 1.00 0.00 C ATOM 1350 CE1 TYR A 89 -4.673 -0.392 6.061 1.00 0.00 C ATOM 1351 CE2 TYR A 89 -6.240 0.089 4.317 1.00 0.00 C ATOM 1352 CZ TYR A 89 -5.032 0.326 4.940 1.00 0.00 C ATOM 1353 OH TYR A 89 -4.179 1.284 4.439 1.00 0.00 O ATOM 0 H TYR A 89 -7.951 -4.065 4.484 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.060 -4.059 6.603 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -8.634 -2.616 5.959 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.911 -2.431 7.544 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.246 -1.914 7.438 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.037 -1.055 4.335 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.727 -0.204 6.546 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.518 0.652 3.438 1.00 0.00 H new ATOM 0 HH TYR A 89 -3.293 1.177 4.844 1.00 0.00 H new ATOM 1363 N GLN A 90 -9.081 -5.227 7.296 1.00 0.00 N ATOM 1364 CA GLN A 90 -9.826 -6.057 8.235 1.00 0.00 C ATOM 1365 C GLN A 90 -8.943 -7.164 8.803 1.00 0.00 C ATOM 1366 O GLN A 90 -8.738 -7.247 10.014 1.00 0.00 O ATOM 1367 CB GLN A 90 -11.050 -6.666 7.550 1.00 0.00 C ATOM 1368 CG GLN A 90 -12.225 -5.709 7.439 1.00 0.00 C ATOM 1369 CD GLN A 90 -12.818 -5.353 8.788 1.00 0.00 C ATOM 1370 OE1 GLN A 90 -12.277 -4.319 9.420 1.00 0.00 O flip ATOM 1371 NE2 GLN A 90 -13.754 -6.003 9.257 1.00 0.00 N flip ATOM 0 H GLN A 90 -9.632 -4.876 6.513 1.00 0.00 H new ATOM 0 HA GLN A 90 -10.157 -5.423 9.058 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -10.768 -6.999 6.551 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.364 -7.550 8.105 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -11.900 -4.797 6.937 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.997 -6.159 6.814 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -14.139 -6.791 8.736 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -14.144 -5.753 10.166 1.00 0.00 H new ATOM 1380 N ASP A 91 -8.425 -8.011 7.921 1.00 0.00 N ATOM 1381 CA ASP A 91 -7.563 -9.113 8.335 1.00 0.00 C ATOM 1382 C ASP A 91 -6.324 -9.195 7.449 1.00 0.00 C ATOM 1383 O ASP A 91 -6.336 -9.852 6.407 1.00 0.00 O ATOM 1384 CB ASP A 91 -8.330 -10.435 8.285 1.00 0.00 C ATOM 1385 CG ASP A 91 -7.825 -11.436 9.306 1.00 0.00 C ATOM 1386 OD1 ASP A 91 -6.623 -11.769 9.265 1.00 0.00 O ATOM 1387 OD2 ASP A 91 -8.634 -11.886 10.144 1.00 0.00 O ATOM 0 H ASP A 91 -8.586 -7.956 6.915 1.00 0.00 H new ATOM 0 HA ASP A 91 -7.243 -8.927 9.360 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -9.389 -10.244 8.460 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -8.244 -10.864 7.287 1.00 0.00 H new ATOM 1392 N ARG A 92 -5.256 -8.524 7.868 1.00 0.00 N ATOM 1393 CA ARG A 92 -4.010 -8.520 7.111 1.00 0.00 C ATOM 1394 C ARG A 92 -3.509 -9.943 6.882 1.00 0.00 C ATOM 1395 O ARG A 92 -3.074 -10.290 5.784 1.00 0.00 O ATOM 1396 CB ARG A 92 -2.945 -7.706 7.847 1.00 0.00 C ATOM 1397 CG ARG A 92 -3.051 -6.207 7.607 1.00 0.00 C ATOM 1398 CD ARG A 92 -4.048 -5.561 8.557 1.00 0.00 C ATOM 1399 NE ARG A 92 -3.497 -5.392 9.898 1.00 0.00 N ATOM 1400 CZ ARG A 92 -4.243 -5.217 10.983 1.00 0.00 C ATOM 1401 NH1 ARG A 92 -5.565 -5.188 10.884 1.00 0.00 N ATOM 1402 NH2 ARG A 92 -3.668 -5.069 12.169 1.00 0.00 N ATOM 0 H ARG A 92 -5.229 -7.976 8.728 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.204 -8.061 6.142 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.025 -7.901 8.916 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -1.958 -8.047 7.534 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -2.072 -5.746 7.737 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -3.356 -6.023 6.577 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -4.347 -4.590 8.163 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.948 -6.174 8.610 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.483 -5.409 10.008 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -6.011 -5.300 9.973 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -6.136 -5.054 11.718 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -2.651 -5.089 12.249 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -4.242 -4.935 13.001 1.00 0.00 H new ATOM 1416 N ASP A 93 -3.572 -10.762 7.926 1.00 0.00 N ATOM 1417 CA ASP A 93 -3.126 -12.148 7.839 1.00 0.00 C ATOM 1418 C ASP A 93 -3.861 -12.887 6.726 1.00 0.00 C ATOM 1419 O ASP A 93 -3.240 -13.448 5.824 1.00 0.00 O ATOM 1420 CB ASP A 93 -3.344 -12.862 9.173 1.00 0.00 C ATOM 1421 CG ASP A 93 -3.077 -11.960 10.363 1.00 0.00 C ATOM 1422 OD1 ASP A 93 -2.171 -11.105 10.268 1.00 0.00 O ATOM 1423 OD2 ASP A 93 -3.774 -12.109 11.388 1.00 0.00 O ATOM 0 H ASP A 93 -3.928 -10.490 8.843 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.061 -12.146 7.607 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.369 -13.229 9.222 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.690 -13.733 9.227 1.00 0.00 H new ATOM 1428 N GLN A 94 -5.188 -12.884 6.796 1.00 0.00 N ATOM 1429 CA GLN A 94 -6.008 -13.555 5.796 1.00 0.00 C ATOM 1430 C GLN A 94 -5.458 -13.319 4.393 1.00 0.00 C ATOM 1431 O GLN A 94 -5.370 -14.244 3.585 1.00 0.00 O ATOM 1432 CB GLN A 94 -7.455 -13.065 5.878 1.00 0.00 C ATOM 1433 CG GLN A 94 -8.361 -13.660 4.812 1.00 0.00 C ATOM 1434 CD GLN A 94 -8.314 -15.175 4.783 1.00 0.00 C ATOM 1435 OE1 GLN A 94 -8.723 -15.838 5.737 1.00 0.00 O ATOM 1436 NE2 GLN A 94 -7.812 -15.732 3.687 1.00 0.00 N ATOM 0 H GLN A 94 -5.718 -12.424 7.536 1.00 0.00 H new ATOM 0 HA GLN A 94 -5.982 -14.625 6.002 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.857 -13.308 6.862 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.467 -11.979 5.788 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -9.386 -13.336 4.990 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -8.069 -13.273 3.836 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.485 -15.144 2.920 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -7.754 -16.748 3.612 1.00 0.00 H new ATOM 1445 N PHE A 95 -5.089 -12.075 4.110 1.00 0.00 N ATOM 1446 CA PHE A 95 -4.549 -11.715 2.804 1.00 0.00 C ATOM 1447 C PHE A 95 -3.240 -12.452 2.537 1.00 0.00 C ATOM 1448 O PHE A 95 -3.151 -13.272 1.624 1.00 0.00 O ATOM 1449 CB PHE A 95 -4.325 -10.205 2.719 1.00 0.00 C ATOM 1450 CG PHE A 95 -3.476 -9.789 1.551 1.00 0.00 C ATOM 1451 CD1 PHE A 95 -3.523 -10.494 0.359 1.00 0.00 C ATOM 1452 CD2 PHE A 95 -2.632 -8.695 1.646 1.00 0.00 C ATOM 1453 CE1 PHE A 95 -2.744 -10.114 -0.718 1.00 0.00 C ATOM 1454 CE2 PHE A 95 -1.851 -8.310 0.571 1.00 0.00 C ATOM 1455 CZ PHE A 95 -1.907 -9.021 -0.612 1.00 0.00 C ATOM 0 H PHE A 95 -5.154 -11.298 4.768 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.273 -12.009 2.045 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -5.292 -9.706 2.651 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.854 -9.863 3.640 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.176 -11.350 0.270 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.583 -8.137 2.569 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.790 -10.672 -1.642 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -1.198 -7.454 0.657 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.297 -8.723 -1.452 1.00 0.00 H new ATOM 1465 N ALA A 96 -2.224 -12.151 3.340 1.00 0.00 N ATOM 1466 CA ALA A 96 -0.920 -12.785 3.191 1.00 0.00 C ATOM 1467 C ALA A 96 -1.061 -14.286 2.963 1.00 0.00 C ATOM 1468 O ALA A 96 -0.365 -14.866 2.129 1.00 0.00 O ATOM 1469 CB ALA A 96 -0.060 -12.514 4.417 1.00 0.00 C ATOM 0 H ALA A 96 -2.279 -11.473 4.100 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.433 -12.356 2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 96 0.911 -12.993 4.293 1.00 0.00 H new ATOM 0 HB2 ALA A 96 0.078 -11.439 4.534 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.552 -12.916 5.303 1.00 0.00 H new ATOM 1475 N LYS A 97 -1.966 -14.910 3.709 1.00 0.00 N ATOM 1476 CA LYS A 97 -2.200 -16.344 3.588 1.00 0.00 C ATOM 1477 C LYS A 97 -2.362 -16.749 2.126 1.00 0.00 C ATOM 1478 O LYS A 97 -1.792 -17.745 1.680 1.00 0.00 O ATOM 1479 CB LYS A 97 -3.446 -16.748 4.381 1.00 0.00 C ATOM 1480 CG LYS A 97 -3.734 -18.239 4.344 1.00 0.00 C ATOM 1481 CD LYS A 97 -5.123 -18.551 4.875 1.00 0.00 C ATOM 1482 CE LYS A 97 -5.181 -18.424 6.390 1.00 0.00 C ATOM 1483 NZ LYS A 97 -4.685 -19.653 7.070 1.00 0.00 N ATOM 0 H LYS A 97 -2.550 -14.445 4.404 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.333 -16.863 3.996 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -3.323 -16.436 5.418 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -4.308 -16.210 3.986 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.644 -18.603 3.320 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.989 -18.769 4.937 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.847 -17.873 4.424 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.407 -19.562 4.582 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.584 -17.568 6.706 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.208 -18.228 6.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.741 -19.526 8.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.270 -20.465 6.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.697 -19.827 6.796 1.00 0.00 H new ATOM 1497 N LEU A 98 -3.141 -15.968 1.385 1.00 0.00 N ATOM 1498 CA LEU A 98 -3.376 -16.243 -0.029 1.00 0.00 C ATOM 1499 C LEU A 98 -2.120 -15.981 -0.852 1.00 0.00 C ATOM 1500 O LEU A 98 -1.896 -16.615 -1.882 1.00 0.00 O ATOM 1501 CB LEU A 98 -4.531 -15.385 -0.550 1.00 0.00 C ATOM 1502 CG LEU A 98 -5.741 -15.252 0.377 1.00 0.00 C ATOM 1503 CD1 LEU A 98 -6.751 -14.274 -0.201 1.00 0.00 C ATOM 1504 CD2 LEU A 98 -6.384 -16.611 0.611 1.00 0.00 C ATOM 0 H LEU A 98 -3.620 -15.140 1.739 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.639 -17.296 -0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.149 -14.386 -0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.869 -15.804 -1.498 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.399 -14.864 1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.605 -14.192 0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.285 -13.295 -0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.089 -14.632 -1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.243 -16.498 1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.712 -17.027 -0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.658 -17.283 1.070 1.00 0.00 H new ATOM 1516 N VAL A 99 -1.302 -15.041 -0.389 1.00 0.00 N ATOM 1517 CA VAL A 99 -0.066 -14.695 -1.080 1.00 0.00 C ATOM 1518 C VAL A 99 0.982 -15.790 -0.913 1.00 0.00 C ATOM 1519 O VAL A 99 1.760 -16.064 -1.827 1.00 0.00 O ATOM 1520 CB VAL A 99 0.513 -13.363 -0.565 1.00 0.00 C ATOM 1521 CG1 VAL A 99 1.815 -13.034 -1.278 1.00 0.00 C ATOM 1522 CG2 VAL A 99 -0.498 -12.240 -0.740 1.00 0.00 C ATOM 0 H VAL A 99 -1.473 -14.505 0.462 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.314 -14.590 -2.136 1.00 0.00 H new ATOM 0 HB VAL A 99 0.726 -13.468 0.499 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.208 -12.090 -0.901 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.540 -13.827 -1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.632 -12.948 -2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.073 -11.307 -0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.745 -12.134 -1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.402 -12.474 -0.178 1.00 0.00 H new ATOM 1532 N ARG A 100 0.996 -16.413 0.261 1.00 0.00 N ATOM 1533 CA ARG A 100 1.948 -17.479 0.548 1.00 0.00 C ATOM 1534 C ARG A 100 1.427 -18.823 0.050 1.00 0.00 C ATOM 1535 O ARG A 100 2.206 -19.706 -0.311 1.00 0.00 O ATOM 1536 CB ARG A 100 2.225 -17.552 2.051 1.00 0.00 C ATOM 1537 CG ARG A 100 1.055 -18.090 2.860 1.00 0.00 C ATOM 1538 CD ARG A 100 1.530 -18.830 4.101 1.00 0.00 C ATOM 1539 NE ARG A 100 0.566 -18.738 5.194 1.00 0.00 N ATOM 1540 CZ ARG A 100 0.510 -19.606 6.199 1.00 0.00 C ATOM 1541 NH1 ARG A 100 1.358 -20.624 6.248 1.00 0.00 N ATOM 1542 NH2 ARG A 100 -0.395 -19.455 7.157 1.00 0.00 N ATOM 0 H ARG A 100 0.359 -16.198 1.028 1.00 0.00 H new ATOM 0 HA ARG A 100 2.877 -17.253 0.024 1.00 0.00 H new ATOM 0 HB2 ARG A 100 3.096 -18.186 2.221 1.00 0.00 H new ATOM 0 HB3 ARG A 100 2.480 -16.556 2.414 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.404 -17.266 3.153 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.460 -18.761 2.240 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.701 -19.878 3.855 1.00 0.00 H new ATOM 0 HD3 ARG A 100 2.486 -18.419 4.425 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.100 -17.966 5.186 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.056 -20.742 5.513 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.313 -21.289 7.020 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.048 -18.672 7.123 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.438 -20.121 7.928 1.00 0.00 H new ATOM 1556 N GLU A 101 0.106 -18.971 0.034 1.00 0.00 N ATOM 1557 CA GLU A 101 -0.518 -20.209 -0.420 1.00 0.00 C ATOM 1558 C GLU A 101 -0.366 -20.373 -1.929 1.00 0.00 C ATOM 1559 O GLU A 101 -0.248 -21.489 -2.435 1.00 0.00 O ATOM 1560 CB GLU A 101 -2.000 -20.228 -0.039 1.00 0.00 C ATOM 1561 CG GLU A 101 -2.269 -20.830 1.329 1.00 0.00 C ATOM 1562 CD GLU A 101 -1.695 -22.226 1.475 1.00 0.00 C ATOM 1563 OE1 GLU A 101 -2.095 -23.116 0.695 1.00 0.00 O ATOM 1564 OE2 GLU A 101 -0.846 -22.428 2.369 1.00 0.00 O ATOM 0 H GLU A 101 -0.552 -18.250 0.330 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.014 -21.042 0.070 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.385 -19.208 -0.060 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.552 -20.793 -0.790 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.843 -20.184 2.096 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.345 -20.864 1.502 1.00 0.00 H new ATOM 1571 N VAL A 102 -0.373 -19.253 -2.644 1.00 0.00 N ATOM 1572 CA VAL A 102 -0.237 -19.272 -4.096 1.00 0.00 C ATOM 1573 C VAL A 102 1.222 -19.441 -4.509 1.00 0.00 C ATOM 1574 O VAL A 102 1.519 -20.048 -5.537 1.00 0.00 O ATOM 1575 CB VAL A 102 -0.790 -17.981 -4.729 1.00 0.00 C ATOM 1576 CG1 VAL A 102 -0.048 -16.765 -4.198 1.00 0.00 C ATOM 1577 CG2 VAL A 102 -0.703 -18.052 -6.246 1.00 0.00 C ATOM 0 H VAL A 102 -0.471 -18.321 -2.242 1.00 0.00 H new ATOM 0 HA VAL A 102 -0.816 -20.122 -4.457 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.840 -17.882 -4.454 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.453 -15.863 -4.657 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.170 -16.708 -3.116 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.011 -16.851 -4.440 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.098 -17.132 -6.677 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.338 -18.175 -6.545 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -1.286 -18.900 -6.605 1.00 0.00 H new ATOM 1587 N ALA A 103 2.126 -18.903 -3.698 1.00 0.00 N ATOM 1588 CA ALA A 103 3.554 -18.997 -3.977 1.00 0.00 C ATOM 1589 C ALA A 103 4.110 -20.348 -3.543 1.00 0.00 C ATOM 1590 O ALA A 103 4.981 -20.913 -4.205 1.00 0.00 O ATOM 1591 CB ALA A 103 4.303 -17.868 -3.283 1.00 0.00 C ATOM 0 H ALA A 103 1.895 -18.398 -2.843 1.00 0.00 H new ATOM 0 HA ALA A 103 3.696 -18.904 -5.054 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.368 -17.951 -3.500 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.932 -16.909 -3.645 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.146 -17.935 -2.206 1.00 0.00 H new ATOM 1597 N ALA A 104 3.602 -20.862 -2.428 1.00 0.00 N ATOM 1598 CA ALA A 104 4.048 -22.147 -1.907 1.00 0.00 C ATOM 1599 C ALA A 104 4.396 -23.109 -3.040 1.00 0.00 C ATOM 1600 O ALA A 104 5.527 -23.579 -3.161 1.00 0.00 O ATOM 1601 CB ALA A 104 2.979 -22.752 -1.009 1.00 0.00 C ATOM 0 H ALA A 104 2.881 -20.407 -1.868 1.00 0.00 H new ATOM 0 HA ALA A 104 4.950 -21.979 -1.318 1.00 0.00 H new ATOM 0 HB1 ALA A 104 3.326 -23.712 -0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.781 -22.079 -0.175 1.00 0.00 H new ATOM 0 HB3 ALA A 104 2.063 -22.899 -1.582 1.00 0.00 H new ATOM 1607 N PRO A 105 3.401 -23.408 -3.888 1.00 0.00 N ATOM 1608 CA PRO A 105 3.578 -24.315 -5.025 1.00 0.00 C ATOM 1609 C PRO A 105 4.459 -23.714 -6.115 1.00 0.00 C ATOM 1610 O PRO A 105 5.036 -24.436 -6.929 1.00 0.00 O ATOM 1611 CB PRO A 105 2.152 -24.519 -5.542 1.00 0.00 C ATOM 1612 CG PRO A 105 1.415 -23.297 -5.113 1.00 0.00 C ATOM 1613 CD PRO A 105 2.028 -22.884 -3.802 1.00 0.00 C ATOM 0 HA PRO A 105 4.077 -25.240 -4.734 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.136 -24.631 -6.626 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.704 -25.420 -5.122 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.509 -22.504 -5.855 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.351 -23.503 -4.999 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.018 -21.801 -3.677 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.488 -23.308 -2.955 1.00 0.00 H new ATOM 1621 N ASP A 106 4.558 -22.389 -6.125 1.00 0.00 N ATOM 1622 CA ASP A 106 5.370 -21.690 -7.115 1.00 0.00 C ATOM 1623 C ASP A 106 6.854 -21.816 -6.786 1.00 0.00 C ATOM 1624 O ASP A 106 7.632 -22.357 -7.573 1.00 0.00 O ATOM 1625 CB ASP A 106 4.973 -20.215 -7.182 1.00 0.00 C ATOM 1626 CG ASP A 106 5.348 -19.574 -8.503 1.00 0.00 C ATOM 1627 OD1 ASP A 106 6.356 -20.000 -9.105 1.00 0.00 O ATOM 1628 OD2 ASP A 106 4.632 -18.647 -8.936 1.00 0.00 O ATOM 0 H ASP A 106 4.086 -21.777 -5.459 1.00 0.00 H new ATOM 0 HA ASP A 106 5.191 -22.150 -8.087 1.00 0.00 H new ATOM 0 HB2 ASP A 106 3.898 -20.124 -7.030 1.00 0.00 H new ATOM 0 HB3 ASP A 106 5.457 -19.674 -6.369 1.00 0.00 H new ATOM 1633 N VAL A 107 7.241 -21.313 -5.618 1.00 0.00 N ATOM 1634 CA VAL A 107 8.633 -21.368 -5.185 1.00 0.00 C ATOM 1635 C VAL A 107 9.182 -22.786 -5.284 1.00 0.00 C ATOM 1636 O VAL A 107 10.391 -22.989 -5.393 1.00 0.00 O ATOM 1637 CB VAL A 107 8.790 -20.868 -3.737 1.00 0.00 C ATOM 1638 CG1 VAL A 107 8.822 -19.348 -3.697 1.00 0.00 C ATOM 1639 CG2 VAL A 107 7.669 -21.409 -2.862 1.00 0.00 C ATOM 0 H VAL A 107 6.610 -20.863 -4.955 1.00 0.00 H new ATOM 0 HA VAL A 107 9.198 -20.715 -5.850 1.00 0.00 H new ATOM 0 HB VAL A 107 9.737 -21.238 -3.344 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.933 -19.013 -2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.663 -18.986 -4.289 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.893 -18.954 -4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.796 -21.046 -1.842 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.708 -21.071 -3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.699 -22.499 -2.865 1.00 0.00 H new ATOM 1649 N GLY A 108 8.285 -23.767 -5.246 1.00 0.00 N ATOM 1650 CA GLY A 108 8.699 -25.155 -5.333 1.00 0.00 C ATOM 1651 C GLY A 108 9.403 -25.470 -6.639 1.00 0.00 C ATOM 1652 O GLY A 108 10.179 -26.422 -6.721 1.00 0.00 O ATOM 0 H GLY A 108 7.279 -23.625 -5.156 1.00 0.00 H new ATOM 0 HA2 GLY A 108 9.364 -25.385 -4.501 1.00 0.00 H new ATOM 0 HA3 GLY A 108 7.825 -25.799 -5.230 1.00 0.00 H new ATOM 1656 N ARG A 109 9.127 -24.671 -7.664 1.00 0.00 N ATOM 1657 CA ARG A 109 9.737 -24.871 -8.974 1.00 0.00 C ATOM 1658 C ARG A 109 11.245 -24.648 -8.911 1.00 0.00 C ATOM 1659 O ARG A 109 12.025 -25.502 -9.332 1.00 0.00 O ATOM 1660 CB ARG A 109 9.113 -23.923 -10.000 1.00 0.00 C ATOM 1661 CG ARG A 109 7.595 -23.979 -10.036 1.00 0.00 C ATOM 1662 CD ARG A 109 7.099 -25.245 -10.717 1.00 0.00 C ATOM 1663 NE ARG A 109 7.719 -25.441 -12.025 1.00 0.00 N ATOM 1664 CZ ARG A 109 7.795 -26.620 -12.633 1.00 0.00 C ATOM 1665 NH1 ARG A 109 7.293 -27.701 -12.054 1.00 0.00 N ATOM 1666 NH2 ARG A 109 8.374 -26.718 -13.822 1.00 0.00 N ATOM 0 H ARG A 109 8.486 -23.880 -7.613 1.00 0.00 H new ATOM 0 HA ARG A 109 9.552 -25.901 -9.280 1.00 0.00 H new ATOM 0 HB2 ARG A 109 9.425 -22.903 -9.777 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.501 -24.166 -10.989 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.204 -23.935 -9.019 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.210 -23.106 -10.564 1.00 0.00 H new ATOM 0 HD2 ARG A 109 7.312 -26.105 -10.082 1.00 0.00 H new ATOM 0 HD3 ARG A 109 6.016 -25.194 -10.833 1.00 0.00 H new ATOM 0 HE ARG A 109 8.115 -24.628 -12.497 1.00 0.00 H new ATOM 0 HH11 ARG A 109 6.847 -27.629 -11.140 1.00 0.00 H new ATOM 0 HH12 ARG A 109 7.353 -28.605 -12.523 1.00 0.00 H new ATOM 0 HH21 ARG A 109 8.761 -25.888 -14.271 1.00 0.00 H new ATOM 0 HH22 ARG A 109 8.432 -27.623 -14.288 1.00 0.00 H new ATOM 1680 N MET A 110 11.647 -23.497 -8.383 1.00 0.00 N ATOM 1681 CA MET A 110 13.062 -23.163 -8.267 1.00 0.00 C ATOM 1682 C MET A 110 13.738 -24.027 -7.206 1.00 0.00 C ATOM 1683 O MET A 110 14.920 -24.350 -7.316 1.00 0.00 O ATOM 1684 CB MET A 110 13.231 -21.683 -7.919 1.00 0.00 C ATOM 1685 CG MET A 110 12.457 -21.256 -6.683 1.00 0.00 C ATOM 1686 SD MET A 110 12.803 -19.553 -6.201 1.00 0.00 S ATOM 1687 CE MET A 110 11.403 -19.212 -5.138 1.00 0.00 C ATOM 0 H MET A 110 11.014 -22.780 -8.029 1.00 0.00 H new ATOM 0 HA MET A 110 13.537 -23.359 -9.228 1.00 0.00 H new ATOM 0 HB2 MET A 110 14.289 -21.473 -7.765 1.00 0.00 H new ATOM 0 HB3 MET A 110 12.907 -21.080 -8.767 1.00 0.00 H new ATOM 0 HG2 MET A 110 11.389 -21.366 -6.872 1.00 0.00 H new ATOM 0 HG3 MET A 110 12.705 -21.921 -5.856 1.00 0.00 H new ATOM 0 HE1 MET A 110 10.663 -18.630 -5.687 1.00 0.00 H new ATOM 0 HE2 MET A 110 10.957 -20.151 -4.812 1.00 0.00 H new ATOM 0 HE3 MET A 110 11.736 -18.647 -4.268 1.00 0.00 H new ATOM 1697 N GLY A 111 12.978 -24.398 -6.178 1.00 0.00 N ATOM 1698 CA GLY A 111 13.522 -25.220 -5.114 1.00 0.00 C ATOM 1699 C GLY A 111 13.461 -24.533 -3.762 1.00 0.00 C ATOM 1700 O GLY A 111 14.186 -24.902 -2.839 1.00 0.00 O ATOM 0 H GLY A 111 11.997 -24.144 -6.065 1.00 0.00 H new ATOM 0 HA2 GLY A 111 12.971 -26.159 -5.066 1.00 0.00 H new ATOM 0 HA3 GLY A 111 14.558 -25.470 -5.345 1.00 0.00 H new ATOM 1704 N ILE A 112 12.597 -23.531 -3.648 1.00 0.00 N ATOM 1705 CA ILE A 112 12.445 -22.792 -2.402 1.00 0.00 C ATOM 1706 C ILE A 112 11.092 -23.073 -1.757 1.00 0.00 C ATOM 1707 O ILE A 112 10.092 -23.265 -2.448 1.00 0.00 O ATOM 1708 CB ILE A 112 12.589 -21.275 -2.625 1.00 0.00 C ATOM 1709 CG1 ILE A 112 13.927 -20.962 -3.298 1.00 0.00 C ATOM 1710 CG2 ILE A 112 12.468 -20.531 -1.304 1.00 0.00 C ATOM 1711 CD1 ILE A 112 15.081 -21.780 -2.760 1.00 0.00 C ATOM 0 H ILE A 112 11.991 -23.212 -4.404 1.00 0.00 H new ATOM 0 HA ILE A 112 13.239 -23.130 -1.737 1.00 0.00 H new ATOM 0 HB ILE A 112 11.786 -20.941 -3.282 1.00 0.00 H new ATOM 0 HG12 ILE A 112 13.835 -21.139 -4.370 1.00 0.00 H new ATOM 0 HG13 ILE A 112 14.151 -19.903 -3.168 1.00 0.00 H new ATOM 0 HG21 ILE A 112 12.572 -19.460 -1.479 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.493 -20.733 -0.860 1.00 0.00 H new ATOM 0 HG23 ILE A 112 13.252 -20.866 -0.625 1.00 0.00 H new ATOM 0 HD11 ILE A 112 15.997 -21.505 -3.283 1.00 0.00 H new ATOM 0 HD12 ILE A 112 15.199 -21.585 -1.694 1.00 0.00 H new ATOM 0 HD13 ILE A 112 14.879 -22.840 -2.915 1.00 0.00 H new ATOM 1723 N GLU A 113 11.068 -23.092 -0.428 1.00 0.00 N ATOM 1724 CA GLU A 113 9.837 -23.349 0.311 1.00 0.00 C ATOM 1725 C GLU A 113 9.532 -22.206 1.274 1.00 0.00 C ATOM 1726 O GLU A 113 10.423 -21.701 1.958 1.00 0.00 O ATOM 1727 CB GLU A 113 9.943 -24.666 1.082 1.00 0.00 C ATOM 1728 CG GLU A 113 8.701 -24.999 1.891 1.00 0.00 C ATOM 1729 CD GLU A 113 7.502 -25.312 1.018 1.00 0.00 C ATOM 1730 OE1 GLU A 113 7.495 -26.388 0.384 1.00 0.00 O ATOM 1731 OE2 GLU A 113 6.571 -24.481 0.968 1.00 0.00 O ATOM 0 H GLU A 113 11.887 -22.933 0.159 1.00 0.00 H new ATOM 0 HA GLU A 113 9.021 -23.423 -0.408 1.00 0.00 H new ATOM 0 HB2 GLU A 113 10.135 -25.475 0.378 1.00 0.00 H new ATOM 0 HB3 GLU A 113 10.801 -24.617 1.753 1.00 0.00 H new ATOM 0 HG2 GLU A 113 8.910 -25.853 2.535 1.00 0.00 H new ATOM 0 HG3 GLU A 113 8.461 -24.159 2.543 1.00 0.00 H new ATOM 1738 N ILE A 114 8.267 -21.801 1.321 1.00 0.00 N ATOM 1739 CA ILE A 114 7.844 -20.718 2.200 1.00 0.00 C ATOM 1740 C ILE A 114 7.667 -21.210 3.633 1.00 0.00 C ATOM 1741 O ILE A 114 6.945 -22.176 3.884 1.00 0.00 O ATOM 1742 CB ILE A 114 6.526 -20.085 1.719 1.00 0.00 C ATOM 1743 CG1 ILE A 114 5.376 -21.086 1.851 1.00 0.00 C ATOM 1744 CG2 ILE A 114 6.659 -19.610 0.280 1.00 0.00 C ATOM 1745 CD1 ILE A 114 4.680 -21.035 3.193 1.00 0.00 C ATOM 0 H ILE A 114 7.517 -22.207 0.761 1.00 0.00 H new ATOM 0 HA ILE A 114 8.630 -19.964 2.172 1.00 0.00 H new ATOM 0 HB ILE A 114 6.306 -19.221 2.346 1.00 0.00 H new ATOM 0 HG12 ILE A 114 4.646 -20.894 1.065 1.00 0.00 H new ATOM 0 HG13 ILE A 114 5.761 -22.093 1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 114 5.718 -19.165 -0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 114 7.454 -18.867 0.214 1.00 0.00 H new ATOM 0 HG23 ILE A 114 6.900 -20.457 -0.362 1.00 0.00 H new ATOM 0 HD11 ILE A 114 3.877 -21.771 3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.397 -21.257 3.983 1.00 0.00 H new ATOM 0 HD13 ILE A 114 4.264 -20.040 3.350 1.00 0.00 H new ATOM 1757 N LEU A 115 8.327 -20.538 4.569 1.00 0.00 N ATOM 1758 CA LEU A 115 8.241 -20.906 5.978 1.00 0.00 C ATOM 1759 C LEU A 115 7.057 -20.217 6.650 1.00 0.00 C ATOM 1760 O LEU A 115 6.224 -20.867 7.280 1.00 0.00 O ATOM 1761 CB LEU A 115 9.537 -20.538 6.702 1.00 0.00 C ATOM 1762 CG LEU A 115 10.694 -21.526 6.551 1.00 0.00 C ATOM 1763 CD1 LEU A 115 11.160 -21.587 5.105 1.00 0.00 C ATOM 1764 CD2 LEU A 115 11.846 -21.142 7.469 1.00 0.00 C ATOM 0 H LEU A 115 8.927 -19.736 4.378 1.00 0.00 H new ATOM 0 HA LEU A 115 8.092 -21.984 6.037 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.868 -19.564 6.341 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.317 -20.426 7.764 1.00 0.00 H new ATOM 0 HG LEU A 115 10.340 -22.516 6.838 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.984 -22.295 5.018 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.335 -21.910 4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.496 -20.599 4.789 1.00 0.00 H new ATOM 0 HD21 LEU A 115 12.661 -21.856 7.349 1.00 0.00 H new ATOM 0 HD22 LEU A 115 12.198 -20.143 7.213 1.00 0.00 H new ATOM 0 HD23 LEU A 115 11.505 -21.152 8.504 1.00 0.00 H new ATOM 1776 N SER A 116 6.989 -18.897 6.507 1.00 0.00 N ATOM 1777 CA SER A 116 5.908 -18.120 7.101 1.00 0.00 C ATOM 1778 C SER A 116 5.686 -16.821 6.331 1.00 0.00 C ATOM 1779 O SER A 116 6.617 -16.265 5.748 1.00 0.00 O ATOM 1780 CB SER A 116 6.219 -17.809 8.567 1.00 0.00 C ATOM 1781 OG SER A 116 5.029 -17.700 9.329 1.00 0.00 O ATOM 0 H SER A 116 7.669 -18.344 5.985 1.00 0.00 H new ATOM 0 HA SER A 116 4.996 -18.715 7.049 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.850 -18.595 8.983 1.00 0.00 H new ATOM 0 HB3 SER A 116 6.783 -16.879 8.633 1.00 0.00 H new ATOM 0 HG SER A 116 5.255 -17.503 10.262 1.00 0.00 H new ATOM 1787 N PHE A 117 4.445 -16.344 6.332 1.00 0.00 N ATOM 1788 CA PHE A 117 4.099 -15.112 5.633 1.00 0.00 C ATOM 1789 C PHE A 117 3.159 -14.255 6.476 1.00 0.00 C ATOM 1790 O PHE A 117 2.028 -14.649 6.761 1.00 0.00 O ATOM 1791 CB PHE A 117 3.448 -15.431 4.287 1.00 0.00 C ATOM 1792 CG PHE A 117 3.578 -14.323 3.281 1.00 0.00 C ATOM 1793 CD1 PHE A 117 3.051 -13.068 3.541 1.00 0.00 C ATOM 1794 CD2 PHE A 117 4.227 -14.536 2.075 1.00 0.00 C ATOM 1795 CE1 PHE A 117 3.169 -12.047 2.617 1.00 0.00 C ATOM 1796 CE2 PHE A 117 4.347 -13.519 1.147 1.00 0.00 C ATOM 1797 CZ PHE A 117 3.819 -12.272 1.419 1.00 0.00 C ATOM 0 H PHE A 117 3.663 -16.792 6.809 1.00 0.00 H new ATOM 0 HA PHE A 117 5.017 -14.551 5.460 1.00 0.00 H new ATOM 0 HB2 PHE A 117 3.899 -16.336 3.880 1.00 0.00 H new ATOM 0 HB3 PHE A 117 2.391 -15.645 4.445 1.00 0.00 H new ATOM 0 HD1 PHE A 117 2.542 -12.886 4.476 1.00 0.00 H new ATOM 0 HD2 PHE A 117 4.644 -15.508 1.858 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.753 -11.074 2.831 1.00 0.00 H new ATOM 0 HE2 PHE A 117 4.853 -13.699 0.210 1.00 0.00 H new ATOM 0 HZ PHE A 117 3.914 -11.475 0.697 1.00 0.00 H new ATOM 1807 N THR A 118 3.636 -13.078 6.872 1.00 0.00 N ATOM 1808 CA THR A 118 2.840 -12.165 7.682 1.00 0.00 C ATOM 1809 C THR A 118 2.885 -10.749 7.119 1.00 0.00 C ATOM 1810 O THR A 118 3.649 -10.461 6.198 1.00 0.00 O ATOM 1811 CB THR A 118 3.328 -12.140 9.143 1.00 0.00 C ATOM 1812 OG1 THR A 118 3.683 -13.462 9.564 1.00 0.00 O ATOM 1813 CG2 THR A 118 2.253 -11.582 10.063 1.00 0.00 C ATOM 0 H THR A 118 4.569 -12.736 6.644 1.00 0.00 H new ATOM 0 HA THR A 118 1.814 -12.531 7.655 1.00 0.00 H new ATOM 0 HB THR A 118 4.204 -11.494 9.199 1.00 0.00 H new ATOM 0 HG1 THR A 118 3.994 -13.437 10.493 1.00 0.00 H new ATOM 0 HG21 THR A 118 2.620 -11.574 11.089 1.00 0.00 H new ATOM 0 HG22 THR A 118 2.005 -10.565 9.758 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.362 -12.206 10.002 1.00 0.00 H new ATOM 1821 N ILE A 119 2.062 -9.869 7.679 1.00 0.00 N ATOM 1822 CA ILE A 119 2.009 -8.482 7.233 1.00 0.00 C ATOM 1823 C ILE A 119 2.649 -7.550 8.258 1.00 0.00 C ATOM 1824 O ILE A 119 2.440 -7.697 9.462 1.00 0.00 O ATOM 1825 CB ILE A 119 0.561 -8.027 6.978 1.00 0.00 C ATOM 1826 CG1 ILE A 119 -0.052 -8.826 5.825 1.00 0.00 C ATOM 1827 CG2 ILE A 119 0.518 -6.537 6.677 1.00 0.00 C ATOM 1828 CD1 ILE A 119 0.456 -8.408 4.463 1.00 0.00 C ATOM 0 H ILE A 119 1.423 -10.092 8.442 1.00 0.00 H new ATOM 0 HA ILE A 119 2.567 -8.430 6.298 1.00 0.00 H new ATOM 0 HB ILE A 119 -0.026 -8.213 7.878 1.00 0.00 H new ATOM 0 HG12 ILE A 119 0.161 -9.885 5.974 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -1.136 -8.712 5.850 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -0.513 -6.231 6.499 1.00 0.00 H new ATOM 0 HG22 ILE A 119 0.920 -5.983 7.525 1.00 0.00 H new ATOM 0 HG23 ILE A 119 1.117 -6.327 5.791 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -0.021 -9.016 3.694 1.00 0.00 H new ATOM 0 HD12 ILE A 119 0.220 -7.358 4.293 1.00 0.00 H new ATOM 0 HD13 ILE A 119 1.536 -8.549 4.419 1.00 0.00 H new ATOM 1840 N LYS A 120 3.429 -6.591 7.772 1.00 0.00 N ATOM 1841 CA LYS A 120 4.097 -5.632 8.642 1.00 0.00 C ATOM 1842 C LYS A 120 3.247 -4.378 8.824 1.00 0.00 C ATOM 1843 O LYS A 120 2.717 -4.128 9.908 1.00 0.00 O ATOM 1844 CB LYS A 120 5.464 -5.255 8.068 1.00 0.00 C ATOM 1845 CG LYS A 120 6.454 -4.777 9.115 1.00 0.00 C ATOM 1846 CD LYS A 120 7.537 -3.906 8.502 1.00 0.00 C ATOM 1847 CE LYS A 120 8.696 -4.741 7.980 1.00 0.00 C ATOM 1848 NZ LYS A 120 9.889 -3.904 7.672 1.00 0.00 N ATOM 0 H LYS A 120 3.614 -6.457 6.778 1.00 0.00 H new ATOM 0 HA LYS A 120 4.236 -6.100 9.616 1.00 0.00 H new ATOM 0 HB2 LYS A 120 5.883 -6.119 7.552 1.00 0.00 H new ATOM 0 HB3 LYS A 120 5.331 -4.472 7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 120 5.927 -4.215 9.886 1.00 0.00 H new ATOM 0 HG3 LYS A 120 6.911 -5.637 9.604 1.00 0.00 H new ATOM 0 HD2 LYS A 120 7.115 -3.318 7.687 1.00 0.00 H new ATOM 0 HD3 LYS A 120 7.903 -3.200 9.248 1.00 0.00 H new ATOM 0 HE2 LYS A 120 8.963 -5.495 8.721 1.00 0.00 H new ATOM 0 HE3 LYS A 120 8.384 -5.273 7.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 10.657 -4.510 7.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 9.642 -3.201 6.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 10.203 -3.416 8.535 1.00 0.00 H new ATOM 1862 N ASP A 121 3.123 -3.594 7.759 1.00 0.00 N ATOM 1863 CA ASP A 121 2.336 -2.368 7.801 1.00 0.00 C ATOM 1864 C ASP A 121 1.712 -2.075 6.441 1.00 0.00 C ATOM 1865 O ASP A 121 2.312 -2.349 5.400 1.00 0.00 O ATOM 1866 CB ASP A 121 3.208 -1.191 8.241 1.00 0.00 C ATOM 1867 CG ASP A 121 2.422 -0.136 8.995 1.00 0.00 C ATOM 1868 OD1 ASP A 121 1.803 0.725 8.337 1.00 0.00 O ATOM 1869 OD2 ASP A 121 2.426 -0.172 10.244 1.00 0.00 O ATOM 0 H ASP A 121 3.557 -3.786 6.856 1.00 0.00 H new ATOM 0 HA ASP A 121 1.534 -2.506 8.526 1.00 0.00 H new ATOM 0 HB2 ASP A 121 4.016 -1.558 8.873 1.00 0.00 H new ATOM 0 HB3 ASP A 121 3.670 -0.738 7.364 1.00 0.00 H new ATOM 1874 N VAL A 122 0.506 -1.516 6.455 1.00 0.00 N ATOM 1875 CA VAL A 122 -0.198 -1.185 5.221 1.00 0.00 C ATOM 1876 C VAL A 122 -0.762 0.229 5.273 1.00 0.00 C ATOM 1877 O VAL A 122 -1.601 0.544 6.117 1.00 0.00 O ATOM 1878 CB VAL A 122 -1.347 -2.175 4.949 1.00 0.00 C ATOM 1879 CG1 VAL A 122 -2.192 -2.369 6.198 1.00 0.00 C ATOM 1880 CG2 VAL A 122 -2.200 -1.691 3.786 1.00 0.00 C ATOM 0 H VAL A 122 -0.004 -1.283 7.307 1.00 0.00 H new ATOM 0 HA VAL A 122 0.530 -1.253 4.412 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.918 -3.140 4.679 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.998 -3.071 5.986 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.569 -2.763 7.001 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.615 -1.412 6.503 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -3.007 -2.401 3.607 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.622 -0.715 4.026 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -1.583 -1.610 2.891 1.00 0.00 H new ATOM 1890 N TYR A 123 -0.296 1.080 4.364 1.00 0.00 N ATOM 1891 CA TYR A 123 -0.752 2.463 4.307 1.00 0.00 C ATOM 1892 C TYR A 123 -1.100 2.864 2.876 1.00 0.00 C ATOM 1893 O TYR A 123 -0.700 2.200 1.921 1.00 0.00 O ATOM 1894 CB TYR A 123 0.320 3.400 4.865 1.00 0.00 C ATOM 1895 CG TYR A 123 1.724 3.033 4.443 1.00 0.00 C ATOM 1896 CD1 TYR A 123 2.459 2.089 5.151 1.00 0.00 C ATOM 1897 CD2 TYR A 123 2.317 3.629 3.337 1.00 0.00 C ATOM 1898 CE1 TYR A 123 3.743 1.751 4.768 1.00 0.00 C ATOM 1899 CE2 TYR A 123 3.599 3.296 2.946 1.00 0.00 C ATOM 1900 CZ TYR A 123 4.308 2.356 3.665 1.00 0.00 C ATOM 1901 OH TYR A 123 5.587 2.023 3.281 1.00 0.00 O ATOM 0 H TYR A 123 0.397 0.835 3.657 1.00 0.00 H new ATOM 0 HA TYR A 123 -1.651 2.547 4.917 1.00 0.00 H new ATOM 0 HB2 TYR A 123 0.106 4.418 4.539 1.00 0.00 H new ATOM 0 HB3 TYR A 123 0.264 3.395 5.954 1.00 0.00 H new ATOM 0 HD1 TYR A 123 2.019 1.612 6.014 1.00 0.00 H new ATOM 0 HD2 TYR A 123 1.765 4.366 2.773 1.00 0.00 H new ATOM 0 HE1 TYR A 123 4.301 1.017 5.330 1.00 0.00 H new ATOM 0 HE2 TYR A 123 4.044 3.769 2.083 1.00 0.00 H new ATOM 0 HH TYR A 123 5.834 2.539 2.485 1.00 0.00 H new ATOM 1911 N ASP A 124 -1.844 3.955 2.739 1.00 0.00 N ATOM 1912 CA ASP A 124 -2.243 4.448 1.425 1.00 0.00 C ATOM 1913 C ASP A 124 -1.459 5.702 1.053 1.00 0.00 C ATOM 1914 O ASP A 124 -1.570 6.736 1.714 1.00 0.00 O ATOM 1915 CB ASP A 124 -3.744 4.743 1.403 1.00 0.00 C ATOM 1916 CG ASP A 124 -4.274 5.150 2.764 1.00 0.00 C ATOM 1917 OD1 ASP A 124 -4.198 4.328 3.700 1.00 0.00 O ATOM 1918 OD2 ASP A 124 -4.765 6.291 2.893 1.00 0.00 O ATOM 0 H ASP A 124 -2.183 4.515 3.521 1.00 0.00 H new ATOM 0 HA ASP A 124 -2.022 3.674 0.691 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -3.944 5.539 0.685 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -4.280 3.859 1.057 1.00 0.00 H new