USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 554 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 42 LYS NZ :NH3+ -129:sc= -2.12! (180deg=-6.13!) USER MOD Set 1.2: A 66 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.152) USER MOD Set 2.1: A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 26 THR OG1 : rot 101:sc= 0.0217 USER MOD Set 2.3: A 67 SER OG : rot -59:sc= 1.09 USER MOD Single : A 13 SER OG : rot 180:sc= -0.415 USER MOD Single : A 15 THR OG1 : rot -170:sc= -0.832 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0297 K(o=-0.03,f=-1.4) USER MOD Single : A 22 SER OG : rot 180:sc= 0.1 USER MOD Single : A 27 TYR OH : rot 58:sc= -0.286 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -82:sc= -1.38 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -82:sc= -0.304 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc=-0.00669 X(o=-0.0067,f=-0.015) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 170:sc= -9.87! (180deg=-10.2!) USER MOD Single : A 83 GLN : amide:sc= -0.14 K(o=-0.14,f=-1.5!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.303 USER MOD Single : A 86 ASN : amide:sc=-0.00678 X(o=-0.0068,f=0.2) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 149 N CYS A 11 -8.453 3.972 -9.516 1.00 0.00 N ATOM 150 CA CYS A 11 -8.791 2.962 -10.504 1.00 0.00 C ATOM 151 C CYS A 11 -10.149 3.319 -11.111 1.00 0.00 C ATOM 152 O CYS A 11 -10.510 4.492 -11.186 1.00 0.00 O ATOM 153 CB CYS A 11 -8.787 1.556 -9.900 1.00 0.00 C ATOM 154 SG CYS A 11 -10.218 1.181 -8.822 1.00 0.00 S ATOM 0 HA CYS A 11 -8.035 2.951 -11.289 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.759 0.828 -10.710 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -7.871 1.426 -9.323 1.00 0.00 H new ATOM 159 N VAL A 12 -10.865 2.285 -11.529 1.00 0.00 N ATOM 160 CA VAL A 12 -12.175 2.475 -12.128 1.00 0.00 C ATOM 161 C VAL A 12 -13.255 2.148 -11.094 1.00 0.00 C ATOM 162 O VAL A 12 -13.859 3.051 -10.516 1.00 0.00 O ATOM 163 CB VAL A 12 -12.295 1.637 -13.403 1.00 0.00 C ATOM 164 CG1 VAL A 12 -13.722 1.677 -13.953 1.00 0.00 C ATOM 165 CG2 VAL A 12 -11.287 2.098 -14.458 1.00 0.00 C ATOM 0 H VAL A 12 -10.562 1.313 -11.465 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.312 3.515 -12.425 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.064 0.603 -13.148 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.780 1.074 -14.859 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.411 1.279 -13.207 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.994 2.707 -14.185 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.393 1.487 -15.354 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.473 3.143 -14.707 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.276 1.994 -14.065 1.00 0.00 H new ATOM 175 N SER A 13 -13.465 0.856 -10.893 1.00 0.00 N ATOM 176 CA SER A 13 -14.462 0.399 -9.941 1.00 0.00 C ATOM 177 C SER A 13 -13.790 -0.411 -8.829 1.00 0.00 C ATOM 178 O SER A 13 -12.578 -0.332 -8.645 1.00 0.00 O ATOM 179 CB SER A 13 -15.541 -0.438 -10.630 1.00 0.00 C ATOM 180 OG SER A 13 -15.970 0.148 -11.856 1.00 0.00 O ATOM 0 H SER A 13 -12.961 0.111 -11.374 1.00 0.00 H new ATOM 0 HA SER A 13 -14.944 1.274 -9.505 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.155 -1.439 -10.822 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.396 -0.548 -9.962 1.00 0.00 H new ATOM 0 HG SER A 13 -16.658 -0.417 -12.266 1.00 0.00 H new ATOM 186 N LEU A 14 -14.610 -1.172 -8.118 1.00 0.00 N ATOM 187 CA LEU A 14 -14.111 -1.996 -7.030 1.00 0.00 C ATOM 188 C LEU A 14 -14.166 -3.468 -7.444 1.00 0.00 C ATOM 189 O LEU A 14 -15.238 -4.071 -7.462 1.00 0.00 O ATOM 190 CB LEU A 14 -14.868 -1.692 -5.736 1.00 0.00 C ATOM 191 CG LEU A 14 -14.319 -0.540 -4.892 1.00 0.00 C ATOM 192 CD1 LEU A 14 -15.222 -0.263 -3.688 1.00 0.00 C ATOM 193 CD2 LEU A 14 -12.872 -0.808 -4.473 1.00 0.00 C ATOM 0 H LEU A 14 -15.616 -1.235 -8.274 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.067 -1.762 -6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.905 -1.469 -5.989 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.876 -2.593 -5.123 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.315 0.361 -5.506 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.809 0.560 -3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -16.220 0.004 -4.035 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.281 -1.155 -3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.506 0.026 -3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.827 -1.724 -3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.250 -0.917 -5.362 1.00 0.00 H new ATOM 205 N THR A 15 -12.998 -4.003 -7.767 1.00 0.00 N ATOM 206 CA THR A 15 -12.900 -5.393 -8.179 1.00 0.00 C ATOM 207 C THR A 15 -13.515 -5.582 -9.566 1.00 0.00 C ATOM 208 O THR A 15 -13.162 -4.873 -10.508 1.00 0.00 O ATOM 209 CB THR A 15 -13.558 -6.254 -7.100 1.00 0.00 C ATOM 210 OG1 THR A 15 -13.024 -5.750 -5.879 1.00 0.00 O ATOM 211 CG2 THR A 15 -13.086 -7.708 -7.141 1.00 0.00 C ATOM 0 H THR A 15 -12.111 -3.499 -7.752 1.00 0.00 H new ATOM 0 HA THR A 15 -11.860 -5.705 -8.274 1.00 0.00 H new ATOM 0 HB THR A 15 -14.641 -6.221 -7.221 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.271 -6.347 -5.143 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.584 -8.275 -6.354 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.329 -8.142 -8.111 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.008 -7.745 -6.987 1.00 0.00 H new ATOM 219 N THR A 16 -14.425 -6.541 -9.650 1.00 0.00 N ATOM 220 CA THR A 16 -15.094 -6.833 -10.907 1.00 0.00 C ATOM 221 C THR A 16 -14.156 -7.594 -11.845 1.00 0.00 C ATOM 222 O THR A 16 -14.344 -7.582 -13.061 1.00 0.00 O ATOM 223 CB THR A 16 -15.597 -5.512 -11.492 1.00 0.00 C ATOM 224 OG1 THR A 16 -16.864 -5.842 -12.055 1.00 0.00 O ATOM 225 CG2 THR A 16 -14.766 -5.047 -12.689 1.00 0.00 C ATOM 0 H THR A 16 -14.715 -7.127 -8.867 1.00 0.00 H new ATOM 0 HA THR A 16 -15.953 -7.487 -10.756 1.00 0.00 H new ATOM 0 HB THR A 16 -15.581 -4.743 -10.719 1.00 0.00 H new ATOM 0 HG1 THR A 16 -17.263 -5.041 -12.456 1.00 0.00 H new ATOM 0 HG21 THR A 16 -15.166 -4.105 -13.066 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.731 -4.904 -12.380 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.809 -5.800 -13.476 1.00 0.00 H new ATOM 233 N GLN A 17 -13.166 -8.239 -11.246 1.00 0.00 N ATOM 234 CA GLN A 17 -12.198 -9.005 -12.013 1.00 0.00 C ATOM 235 C GLN A 17 -11.241 -9.743 -11.074 1.00 0.00 C ATOM 236 O GLN A 17 -10.415 -9.119 -10.409 1.00 0.00 O ATOM 237 CB GLN A 17 -11.431 -8.104 -12.982 1.00 0.00 C ATOM 238 CG GLN A 17 -11.008 -8.879 -14.233 1.00 0.00 C ATOM 239 CD GLN A 17 -10.530 -7.927 -15.332 1.00 0.00 C ATOM 240 OE1 GLN A 17 -10.661 -6.718 -15.242 1.00 0.00 O ATOM 241 NE2 GLN A 17 -9.969 -8.539 -16.370 1.00 0.00 N ATOM 0 H GLN A 17 -13.013 -8.247 -10.238 1.00 0.00 H new ATOM 0 HA GLN A 17 -12.736 -9.745 -12.606 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -12.055 -7.257 -13.268 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.550 -7.698 -12.486 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.211 -9.578 -13.980 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.847 -9.471 -14.599 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.891 -9.556 -16.381 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.617 -7.992 -17.155 1.00 0.00 H new ATOM 250 N ARG A 18 -11.383 -11.060 -11.051 1.00 0.00 N ATOM 251 CA ARG A 18 -10.541 -11.888 -10.205 1.00 0.00 C ATOM 252 C ARG A 18 -9.131 -11.984 -10.791 1.00 0.00 C ATOM 253 O ARG A 18 -8.862 -12.837 -11.636 1.00 0.00 O ATOM 254 CB ARG A 18 -11.122 -13.296 -10.059 1.00 0.00 C ATOM 255 CG ARG A 18 -11.115 -13.743 -8.597 1.00 0.00 C ATOM 256 CD ARG A 18 -10.778 -15.231 -8.480 1.00 0.00 C ATOM 257 NE ARG A 18 -10.041 -15.487 -7.222 1.00 0.00 N ATOM 258 CZ ARG A 18 -9.562 -16.685 -6.863 1.00 0.00 C ATOM 259 NH1 ARG A 18 -9.740 -17.746 -7.663 1.00 0.00 N ATOM 260 NH2 ARG A 18 -8.905 -16.825 -5.704 1.00 0.00 N ATOM 0 H ARG A 18 -12.068 -11.574 -11.605 1.00 0.00 H new ATOM 0 HA ARG A 18 -10.498 -11.421 -9.221 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.142 -13.314 -10.444 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.542 -13.997 -10.660 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.387 -13.156 -8.037 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.090 -13.551 -8.150 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.694 -15.822 -8.501 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.177 -15.544 -9.333 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.888 -14.702 -6.589 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.240 -17.641 -8.546 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.375 -18.658 -7.389 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.769 -16.019 -5.094 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.541 -17.738 -5.431 1.00 0.00 H new ATOM 274 N LEU A 19 -8.267 -11.097 -10.319 1.00 0.00 N ATOM 275 CA LEU A 19 -6.891 -11.070 -10.786 1.00 0.00 C ATOM 276 C LEU A 19 -6.055 -12.043 -9.952 1.00 0.00 C ATOM 277 O LEU A 19 -6.178 -12.083 -8.729 1.00 0.00 O ATOM 278 CB LEU A 19 -6.351 -9.639 -10.784 1.00 0.00 C ATOM 279 CG LEU A 19 -6.307 -8.937 -12.142 1.00 0.00 C ATOM 280 CD1 LEU A 19 -7.580 -8.122 -12.380 1.00 0.00 C ATOM 281 CD2 LEU A 19 -5.046 -8.080 -12.275 1.00 0.00 C ATOM 0 H LEU A 19 -8.493 -10.392 -9.618 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.834 -11.405 -11.822 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.963 -9.042 -10.108 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.342 -9.653 -10.372 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.263 -9.700 -12.919 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.523 -7.633 -13.353 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.446 -8.784 -12.357 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.680 -7.367 -11.600 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.039 -7.592 -13.249 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.036 -7.324 -11.490 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.164 -8.713 -12.180 1.00 0.00 H new ATOM 293 N PRO A 20 -5.202 -12.827 -10.666 1.00 0.00 N ATOM 294 CA PRO A 20 -4.347 -13.797 -10.005 1.00 0.00 C ATOM 295 C PRO A 20 -3.178 -13.107 -9.299 1.00 0.00 C ATOM 296 O PRO A 20 -2.477 -12.295 -9.900 1.00 0.00 O ATOM 297 CB PRO A 20 -3.900 -14.743 -11.108 1.00 0.00 C ATOM 298 CG PRO A 20 -4.140 -14.003 -12.415 1.00 0.00 C ATOM 299 CD PRO A 20 -5.030 -12.807 -12.116 1.00 0.00 C ATOM 0 HA PRO A 20 -4.863 -14.343 -9.215 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.848 -15.005 -10.995 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.466 -15.674 -11.077 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.195 -13.677 -12.848 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.615 -14.660 -13.144 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.568 -11.877 -12.447 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.988 -12.888 -12.630 1.00 0.00 H new ATOM 307 N VAL A 21 -3.004 -13.456 -8.034 1.00 0.00 N ATOM 308 CA VAL A 21 -1.933 -12.881 -7.239 1.00 0.00 C ATOM 309 C VAL A 21 -0.611 -13.018 -7.998 1.00 0.00 C ATOM 310 O VAL A 21 0.271 -12.170 -7.872 1.00 0.00 O ATOM 311 CB VAL A 21 -1.898 -13.534 -5.856 1.00 0.00 C ATOM 312 CG1 VAL A 21 -0.839 -14.637 -5.796 1.00 0.00 C ATOM 313 CG2 VAL A 21 -1.663 -12.489 -4.762 1.00 0.00 C ATOM 0 H VAL A 21 -3.587 -14.131 -7.539 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.107 -11.817 -7.077 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.870 -13.993 -5.678 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.835 -15.084 -4.802 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.068 -15.402 -6.538 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.142 -14.211 -6.006 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.642 -12.979 -3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.711 -11.988 -4.936 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.468 -11.755 -4.781 1.00 0.00 H new ATOM 323 N SER A 22 -0.517 -14.091 -8.769 1.00 0.00 N ATOM 324 CA SER A 22 0.683 -14.350 -9.548 1.00 0.00 C ATOM 325 C SER A 22 0.960 -13.174 -10.488 1.00 0.00 C ATOM 326 O SER A 22 2.113 -12.801 -10.698 1.00 0.00 O ATOM 327 CB SER A 22 0.552 -15.648 -10.346 1.00 0.00 C ATOM 328 OG SER A 22 -0.708 -16.281 -10.134 1.00 0.00 O ATOM 0 H SER A 22 -1.252 -14.791 -8.871 1.00 0.00 H new ATOM 0 HA SER A 22 1.521 -14.462 -8.860 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.676 -15.435 -11.408 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.353 -16.331 -10.062 1.00 0.00 H new ATOM 0 HG SER A 22 -0.753 -17.105 -10.662 1.00 0.00 H new ATOM 334 N ARG A 23 -0.117 -12.622 -11.027 1.00 0.00 N ATOM 335 CA ARG A 23 -0.005 -11.498 -11.939 1.00 0.00 C ATOM 336 C ARG A 23 0.006 -10.181 -11.160 1.00 0.00 C ATOM 337 O ARG A 23 0.209 -9.115 -11.738 1.00 0.00 O ATOM 338 CB ARG A 23 -1.163 -11.480 -12.938 1.00 0.00 C ATOM 339 CG ARG A 23 -0.678 -11.825 -14.348 1.00 0.00 C ATOM 340 CD ARG A 23 -0.565 -13.340 -14.533 1.00 0.00 C ATOM 341 NE ARG A 23 -0.866 -13.702 -15.936 1.00 0.00 N ATOM 342 CZ ARG A 23 0.037 -13.696 -16.924 1.00 0.00 C ATOM 343 NH1 ARG A 23 1.306 -13.345 -16.670 1.00 0.00 N ATOM 344 NH2 ARG A 23 -0.327 -14.039 -18.167 1.00 0.00 N ATOM 0 H ARG A 23 -1.072 -12.933 -10.849 1.00 0.00 H new ATOM 0 HA ARG A 23 0.931 -11.609 -12.487 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.926 -12.193 -12.628 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.630 -10.495 -12.941 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.369 -11.416 -15.085 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.291 -11.360 -14.527 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.439 -13.673 -14.270 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.256 -13.849 -13.861 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.822 -13.973 -16.165 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.583 -13.083 -15.724 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.994 -13.340 -17.423 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.293 -14.305 -18.361 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.361 -14.034 -18.920 1.00 0.00 H new ATOM 358 N ILE A 24 -0.214 -10.299 -9.858 1.00 0.00 N ATOM 359 CA ILE A 24 -0.231 -9.132 -8.993 1.00 0.00 C ATOM 360 C ILE A 24 1.122 -9.003 -8.290 1.00 0.00 C ATOM 361 O ILE A 24 1.698 -10.000 -7.858 1.00 0.00 O ATOM 362 CB ILE A 24 -1.420 -9.195 -8.033 1.00 0.00 C ATOM 363 CG1 ILE A 24 -2.723 -9.453 -8.790 1.00 0.00 C ATOM 364 CG2 ILE A 24 -1.498 -7.931 -7.173 1.00 0.00 C ATOM 365 CD1 ILE A 24 -3.778 -10.072 -7.871 1.00 0.00 C ATOM 0 H ILE A 24 -0.382 -11.185 -9.382 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.372 -8.224 -9.580 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.268 -10.036 -7.357 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.099 -8.517 -9.203 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.533 -10.119 -9.632 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.352 -8.001 -6.499 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.583 -7.831 -6.589 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.615 -7.059 -7.817 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.695 -10.245 -8.434 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.408 -11.020 -7.479 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.984 -9.393 -7.044 1.00 0.00 H new ATOM 377 N LYS A 25 1.589 -7.767 -8.195 1.00 0.00 N ATOM 378 CA LYS A 25 2.863 -7.496 -7.551 1.00 0.00 C ATOM 379 C LYS A 25 2.622 -7.141 -6.084 1.00 0.00 C ATOM 380 O LYS A 25 2.864 -7.958 -5.195 1.00 0.00 O ATOM 381 CB LYS A 25 3.636 -6.424 -8.324 1.00 0.00 C ATOM 382 CG LYS A 25 5.145 -6.616 -8.165 1.00 0.00 C ATOM 383 CD LYS A 25 5.591 -6.297 -6.736 1.00 0.00 C ATOM 384 CE LYS A 25 6.633 -5.176 -6.724 1.00 0.00 C ATOM 385 NZ LYS A 25 7.239 -5.047 -5.380 1.00 0.00 N ATOM 0 H LYS A 25 1.108 -6.942 -8.553 1.00 0.00 H new ATOM 0 HA LYS A 25 3.494 -8.385 -7.565 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.369 -6.468 -9.380 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.352 -5.435 -7.965 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.413 -7.643 -8.412 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.673 -5.971 -8.867 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.728 -6.002 -6.139 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.008 -7.191 -6.273 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.409 -5.384 -7.461 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.166 -4.234 -7.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.944 -4.282 -5.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.498 -4.827 -4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.702 -5.941 -5.121 1.00 0.00 H new ATOM 399 N THR A 26 2.148 -5.922 -5.872 1.00 0.00 N ATOM 400 CA THR A 26 1.872 -5.449 -4.526 1.00 0.00 C ATOM 401 C THR A 26 0.466 -4.849 -4.449 1.00 0.00 C ATOM 402 O THR A 26 -0.229 -4.757 -5.460 1.00 0.00 O ATOM 403 CB THR A 26 2.976 -4.465 -4.134 1.00 0.00 C ATOM 404 OG1 THR A 26 2.964 -4.479 -2.709 1.00 0.00 O ATOM 405 CG2 THR A 26 2.627 -3.020 -4.495 1.00 0.00 C ATOM 0 H THR A 26 1.948 -5.247 -6.610 1.00 0.00 H new ATOM 0 HA THR A 26 1.880 -6.270 -3.809 1.00 0.00 H new ATOM 0 HB THR A 26 3.906 -4.748 -4.627 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.693 -5.047 -2.381 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.443 -2.363 -4.196 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.473 -2.941 -5.571 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.715 -2.725 -3.976 1.00 0.00 H new ATOM 413 N TYR A 27 0.091 -4.455 -3.241 1.00 0.00 N ATOM 414 CA TYR A 27 -1.219 -3.865 -3.020 1.00 0.00 C ATOM 415 C TYR A 27 -1.152 -2.763 -1.960 1.00 0.00 C ATOM 416 O TYR A 27 -0.235 -2.740 -1.140 1.00 0.00 O ATOM 417 CB TYR A 27 -2.110 -4.997 -2.505 1.00 0.00 C ATOM 418 CG TYR A 27 -1.612 -5.639 -1.208 1.00 0.00 C ATOM 419 CD1 TYR A 27 -0.448 -6.378 -1.206 1.00 0.00 C ATOM 420 CD2 TYR A 27 -2.331 -5.480 -0.040 1.00 0.00 C ATOM 421 CE1 TYR A 27 0.020 -6.983 0.014 1.00 0.00 C ATOM 422 CE2 TYR A 27 -1.863 -6.084 1.181 1.00 0.00 C ATOM 423 CZ TYR A 27 -0.711 -6.806 1.148 1.00 0.00 C ATOM 424 OH TYR A 27 -0.270 -7.376 2.301 1.00 0.00 O ATOM 0 H TYR A 27 0.671 -4.533 -2.405 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.599 -3.419 -3.939 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -3.116 -4.609 -2.344 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -2.184 -5.766 -3.274 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.113 -6.503 -2.120 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.244 -4.903 -0.042 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.930 -7.564 0.029 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.415 -5.966 2.102 1.00 0.00 H new ATOM 0 HH TYR A 27 0.630 -7.046 2.506 1.00 0.00 H new ATOM 434 N THR A 28 -2.135 -1.877 -2.011 1.00 0.00 N ATOM 435 CA THR A 28 -2.200 -0.775 -1.068 1.00 0.00 C ATOM 436 C THR A 28 -3.605 -0.664 -0.472 1.00 0.00 C ATOM 437 O THR A 28 -4.578 -0.476 -1.200 1.00 0.00 O ATOM 438 CB THR A 28 -1.743 0.494 -1.790 1.00 0.00 C ATOM 439 OG1 THR A 28 -0.437 0.737 -1.274 1.00 0.00 O ATOM 440 CG2 THR A 28 -2.545 1.728 -1.367 1.00 0.00 C ATOM 0 H THR A 28 -2.894 -1.900 -2.692 1.00 0.00 H new ATOM 0 HA THR A 28 -1.535 -0.941 -0.221 1.00 0.00 H new ATOM 0 HB THR A 28 -1.834 0.352 -2.867 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.065 1.542 -1.691 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.181 2.601 -1.908 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.599 1.573 -1.596 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.426 1.890 -0.296 1.00 0.00 H new ATOM 448 N ILE A 29 -3.666 -0.786 0.847 1.00 0.00 N ATOM 449 CA ILE A 29 -4.935 -0.702 1.547 1.00 0.00 C ATOM 450 C ILE A 29 -4.974 0.587 2.371 1.00 0.00 C ATOM 451 O ILE A 29 -4.007 0.921 3.053 1.00 0.00 O ATOM 452 CB ILE A 29 -5.176 -1.967 2.374 1.00 0.00 C ATOM 453 CG1 ILE A 29 -5.295 -3.197 1.471 1.00 0.00 C ATOM 454 CG2 ILE A 29 -6.395 -1.804 3.284 1.00 0.00 C ATOM 455 CD1 ILE A 29 -5.219 -4.487 2.290 1.00 0.00 C ATOM 0 H ILE A 29 -2.857 -0.942 1.448 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.759 -0.652 0.836 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.312 -2.123 3.020 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.238 -3.163 0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.497 -3.186 0.728 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.544 -2.717 3.860 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.232 -0.968 3.964 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.279 -1.610 2.677 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.306 -5.346 1.625 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.264 -4.529 2.814 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.032 -4.506 3.015 1.00 0.00 H new ATOM 467 N THR A 30 -6.102 1.276 2.280 1.00 0.00 N ATOM 468 CA THR A 30 -6.280 2.520 3.009 1.00 0.00 C ATOM 469 C THR A 30 -7.340 2.354 4.098 1.00 0.00 C ATOM 470 O THR A 30 -8.006 1.323 4.169 1.00 0.00 O ATOM 471 CB THR A 30 -6.615 3.617 1.995 1.00 0.00 C ATOM 472 OG1 THR A 30 -7.997 3.415 1.712 1.00 0.00 O ATOM 473 CG2 THR A 30 -5.922 3.402 0.648 1.00 0.00 C ATOM 0 H THR A 30 -6.902 0.996 1.712 1.00 0.00 H new ATOM 0 HA THR A 30 -5.367 2.807 3.531 1.00 0.00 H new ATOM 0 HB THR A 30 -6.326 4.587 2.400 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.094 2.706 1.043 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.194 4.208 -0.034 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.841 3.397 0.791 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.236 2.448 0.225 1.00 0.00 H new ATOM 481 N GLU A 31 -7.464 3.386 4.921 1.00 0.00 N ATOM 482 CA GLU A 31 -8.432 3.367 6.003 1.00 0.00 C ATOM 483 C GLU A 31 -9.419 4.527 5.853 1.00 0.00 C ATOM 484 O GLU A 31 -10.543 4.459 6.351 1.00 0.00 O ATOM 485 CB GLU A 31 -7.735 3.413 7.364 1.00 0.00 C ATOM 486 CG GLU A 31 -7.796 2.051 8.058 1.00 0.00 C ATOM 487 CD GLU A 31 -8.896 2.025 9.120 1.00 0.00 C ATOM 488 OE1 GLU A 31 -10.076 1.951 8.715 1.00 0.00 O ATOM 489 OE2 GLU A 31 -8.532 2.082 10.316 1.00 0.00 O ATOM 0 H GLU A 31 -6.910 4.240 4.859 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.989 2.432 5.949 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.695 3.713 7.234 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.208 4.167 7.993 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.980 1.271 7.320 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.834 1.831 8.521 1.00 0.00 H new ATOM 496 N GLY A 32 -8.963 5.565 5.167 1.00 0.00 N ATOM 497 CA GLY A 32 -9.792 6.738 4.946 1.00 0.00 C ATOM 498 C GLY A 32 -11.072 6.371 4.194 1.00 0.00 C ATOM 499 O GLY A 32 -11.414 5.195 4.079 1.00 0.00 O ATOM 0 H GLY A 32 -8.031 5.618 4.757 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.046 7.194 5.903 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.233 7.481 4.378 1.00 0.00 H new ATOM 503 N SER A 33 -11.745 7.400 3.699 1.00 0.00 N ATOM 504 CA SER A 33 -12.981 7.200 2.961 1.00 0.00 C ATOM 505 C SER A 33 -12.795 6.094 1.919 1.00 0.00 C ATOM 506 O SER A 33 -13.764 5.462 1.500 1.00 0.00 O ATOM 507 CB SER A 33 -13.434 8.495 2.285 1.00 0.00 C ATOM 508 OG SER A 33 -14.746 8.877 2.689 1.00 0.00 O ATOM 0 H SER A 33 -11.458 8.374 3.795 1.00 0.00 H new ATOM 0 HA SER A 33 -13.756 6.900 3.666 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.733 9.294 2.526 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.411 8.366 1.203 1.00 0.00 H new ATOM 0 HG SER A 33 -14.998 9.709 2.237 1.00 0.00 H new ATOM 514 N LEU A 34 -11.545 5.896 1.530 1.00 0.00 N ATOM 515 CA LEU A 34 -11.219 4.879 0.544 1.00 0.00 C ATOM 516 C LEU A 34 -11.459 3.494 1.151 1.00 0.00 C ATOM 517 O LEU A 34 -12.228 2.701 0.609 1.00 0.00 O ATOM 518 CB LEU A 34 -9.798 5.080 0.015 1.00 0.00 C ATOM 519 CG LEU A 34 -9.686 5.608 -1.418 1.00 0.00 C ATOM 520 CD1 LEU A 34 -8.234 5.939 -1.767 1.00 0.00 C ATOM 521 CD2 LEU A 34 -10.304 4.625 -2.413 1.00 0.00 C ATOM 0 H LEU A 34 -10.745 6.423 1.880 1.00 0.00 H new ATOM 0 HA LEU A 34 -11.872 4.967 -0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.279 5.772 0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.271 4.127 0.073 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.254 6.536 -1.487 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.182 6.312 -2.790 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.860 6.701 -1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.624 5.040 -1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -10.212 5.024 -3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.784 3.669 -2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -11.358 4.481 -2.175 1.00 0.00 H new ATOM 533 N ARG A 35 -10.786 3.246 2.264 1.00 0.00 N ATOM 534 CA ARG A 35 -10.917 1.972 2.950 1.00 0.00 C ATOM 535 C ARG A 35 -11.049 0.834 1.934 1.00 0.00 C ATOM 536 O ARG A 35 -11.774 -0.131 2.169 1.00 0.00 O ATOM 537 CB ARG A 35 -12.135 1.965 3.875 1.00 0.00 C ATOM 538 CG ARG A 35 -12.046 0.824 4.890 1.00 0.00 C ATOM 539 CD ARG A 35 -11.247 1.249 6.123 1.00 0.00 C ATOM 540 NE ARG A 35 -11.886 0.719 7.348 1.00 0.00 N ATOM 541 CZ ARG A 35 -11.765 -0.546 7.772 1.00 0.00 C ATOM 542 NH1 ARG A 35 -11.027 -1.419 7.071 1.00 0.00 N ATOM 543 NH2 ARG A 35 -12.380 -0.940 8.895 1.00 0.00 N ATOM 0 H ARG A 35 -10.148 3.906 2.708 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.020 1.826 3.551 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.203 2.918 4.399 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.045 1.860 3.284 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -13.049 0.520 5.189 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.574 -0.043 4.428 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.224 0.881 6.048 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.191 2.336 6.173 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.455 1.357 7.905 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.558 -1.120 6.216 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.934 -2.382 7.393 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.941 -0.276 9.429 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.287 -1.904 9.216 1.00 0.00 H new ATOM 557 N ALA A 36 -10.338 0.987 0.827 1.00 0.00 N ATOM 558 CA ALA A 36 -10.368 -0.015 -0.226 1.00 0.00 C ATOM 559 C ALA A 36 -8.963 -0.591 -0.414 1.00 0.00 C ATOM 560 O ALA A 36 -7.973 0.051 -0.069 1.00 0.00 O ATOM 561 CB ALA A 36 -10.919 0.610 -1.510 1.00 0.00 C ATOM 0 H ALA A 36 -9.738 1.789 0.636 1.00 0.00 H new ATOM 0 HA ALA A 36 -11.029 -0.838 0.045 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.942 -0.141 -2.300 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.929 0.979 -1.331 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.279 1.438 -1.815 1.00 0.00 H new ATOM 567 N VAL A 37 -8.923 -1.797 -0.962 1.00 0.00 N ATOM 568 CA VAL A 37 -7.656 -2.469 -1.200 1.00 0.00 C ATOM 569 C VAL A 37 -7.226 -2.236 -2.649 1.00 0.00 C ATOM 570 O VAL A 37 -7.984 -2.510 -3.577 1.00 0.00 O ATOM 571 CB VAL A 37 -7.774 -3.951 -0.842 1.00 0.00 C ATOM 572 CG1 VAL A 37 -8.656 -4.149 0.393 1.00 0.00 C ATOM 573 CG2 VAL A 37 -8.300 -4.762 -2.028 1.00 0.00 C ATOM 0 H VAL A 37 -9.747 -2.326 -1.248 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.877 -2.055 -0.559 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.776 -4.318 -0.602 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.723 -5.212 0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.220 -3.619 1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.654 -3.757 0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.374 -5.812 -1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.285 -4.392 -2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.616 -4.660 -2.871 1.00 0.00 H new ATOM 583 N ILE A 38 -6.009 -1.733 -2.798 1.00 0.00 N ATOM 584 CA ILE A 38 -5.469 -1.460 -4.119 1.00 0.00 C ATOM 585 C ILE A 38 -4.585 -2.631 -4.556 1.00 0.00 C ATOM 586 O ILE A 38 -3.735 -3.088 -3.794 1.00 0.00 O ATOM 587 CB ILE A 38 -4.752 -0.109 -4.136 1.00 0.00 C ATOM 588 CG1 ILE A 38 -5.688 1.015 -3.685 1.00 0.00 C ATOM 589 CG2 ILE A 38 -4.142 0.171 -5.511 1.00 0.00 C ATOM 590 CD1 ILE A 38 -6.643 1.417 -4.811 1.00 0.00 C ATOM 0 H ILE A 38 -5.382 -1.508 -2.026 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.274 -1.377 -4.850 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.930 -0.150 -3.421 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.260 0.690 -2.816 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.101 1.880 -3.375 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.638 1.138 -5.496 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.422 -0.610 -5.755 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.931 0.185 -6.263 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.297 2.217 -4.465 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.068 1.764 -5.669 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.245 0.556 -5.102 1.00 0.00 H new ATOM 602 N PHE A 39 -4.816 -3.081 -5.780 1.00 0.00 N ATOM 603 CA PHE A 39 -4.052 -4.189 -6.327 1.00 0.00 C ATOM 604 C PHE A 39 -3.190 -3.732 -7.505 1.00 0.00 C ATOM 605 O PHE A 39 -3.713 -3.278 -8.522 1.00 0.00 O ATOM 606 CB PHE A 39 -5.060 -5.228 -6.820 1.00 0.00 C ATOM 607 CG PHE A 39 -5.391 -6.312 -5.792 1.00 0.00 C ATOM 608 CD1 PHE A 39 -5.972 -5.974 -4.611 1.00 0.00 C ATOM 609 CD2 PHE A 39 -5.100 -7.614 -6.061 1.00 0.00 C ATOM 610 CE1 PHE A 39 -6.278 -6.980 -3.657 1.00 0.00 C ATOM 611 CE2 PHE A 39 -5.407 -8.620 -5.106 1.00 0.00 C ATOM 612 CZ PHE A 39 -5.990 -8.282 -3.925 1.00 0.00 C ATOM 0 H PHE A 39 -5.522 -2.698 -6.409 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.389 -4.596 -5.563 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.981 -4.719 -7.105 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.667 -5.702 -7.719 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.201 -4.940 -4.398 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.636 -7.882 -6.999 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.740 -6.711 -2.718 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.177 -9.654 -5.318 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.224 -9.047 -3.200 1.00 0.00 H new ATOM 622 N ILE A 40 -1.884 -3.867 -7.330 1.00 0.00 N ATOM 623 CA ILE A 40 -0.944 -3.474 -8.367 1.00 0.00 C ATOM 624 C ILE A 40 -0.458 -4.721 -9.108 1.00 0.00 C ATOM 625 O ILE A 40 -0.124 -5.728 -8.485 1.00 0.00 O ATOM 626 CB ILE A 40 0.186 -2.631 -7.774 1.00 0.00 C ATOM 627 CG1 ILE A 40 -0.357 -1.617 -6.764 1.00 0.00 C ATOM 628 CG2 ILE A 40 1.005 -1.958 -8.877 1.00 0.00 C ATOM 629 CD1 ILE A 40 0.705 -0.577 -6.406 1.00 0.00 C ATOM 0 H ILE A 40 -1.454 -4.243 -6.485 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.433 -2.836 -9.103 1.00 0.00 H new ATOM 0 HB ILE A 40 0.859 -3.296 -7.233 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.233 -1.119 -7.179 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.682 -2.135 -5.862 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.802 -1.365 -8.428 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.440 -2.720 -9.524 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.357 -1.309 -9.466 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.293 0.131 -5.687 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.570 -1.076 -5.969 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.010 -0.044 -7.306 1.00 0.00 H new ATOM 641 N THR A 41 -0.433 -4.613 -10.428 1.00 0.00 N ATOM 642 CA THR A 41 0.007 -5.720 -11.261 1.00 0.00 C ATOM 643 C THR A 41 1.462 -5.519 -11.689 1.00 0.00 C ATOM 644 O THR A 41 2.016 -4.433 -11.528 1.00 0.00 O ATOM 645 CB THR A 41 -0.961 -5.840 -12.439 1.00 0.00 C ATOM 646 OG1 THR A 41 -1.159 -4.494 -12.864 1.00 0.00 O ATOM 647 CG2 THR A 41 -2.354 -6.302 -12.008 1.00 0.00 C ATOM 0 H THR A 41 -0.710 -3.776 -10.942 1.00 0.00 H new ATOM 0 HA THR A 41 -0.011 -6.660 -10.710 1.00 0.00 H new ATOM 0 HB THR A 41 -0.557 -6.540 -13.171 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.838 -4.069 -12.299 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.001 -6.370 -12.882 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.282 -7.280 -11.532 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.773 -5.585 -11.302 1.00 0.00 H new ATOM 655 N LYS A 42 2.040 -6.584 -12.224 1.00 0.00 N ATOM 656 CA LYS A 42 3.421 -6.540 -12.676 1.00 0.00 C ATOM 657 C LYS A 42 3.578 -5.422 -13.709 1.00 0.00 C ATOM 658 O LYS A 42 4.478 -4.590 -13.598 1.00 0.00 O ATOM 659 CB LYS A 42 3.863 -7.913 -13.184 1.00 0.00 C ATOM 660 CG LYS A 42 3.614 -8.994 -12.130 1.00 0.00 C ATOM 661 CD LYS A 42 4.510 -8.785 -10.908 1.00 0.00 C ATOM 662 CE LYS A 42 4.158 -9.773 -9.795 1.00 0.00 C ATOM 663 NZ LYS A 42 5.282 -9.902 -8.840 1.00 0.00 N ATOM 0 H LYS A 42 1.577 -7.483 -12.355 1.00 0.00 H new ATOM 0 HA LYS A 42 4.087 -6.304 -11.846 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.321 -8.159 -14.097 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.922 -7.886 -13.440 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.568 -8.976 -11.825 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.804 -9.977 -12.561 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.555 -8.910 -11.193 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.399 -7.764 -10.542 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.264 -9.435 -9.270 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.926 -10.747 -10.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.506 -10.908 -8.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.117 -9.410 -9.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.014 -9.478 -7.929 1.00 0.00 H new ATOM 677 N ARG A 43 2.689 -5.437 -14.691 1.00 0.00 N ATOM 678 CA ARG A 43 2.718 -4.436 -15.744 1.00 0.00 C ATOM 679 C ARG A 43 2.752 -3.031 -15.138 1.00 0.00 C ATOM 680 O ARG A 43 3.162 -2.077 -15.797 1.00 0.00 O ATOM 681 CB ARG A 43 1.498 -4.561 -16.657 1.00 0.00 C ATOM 682 CG ARG A 43 1.752 -3.888 -18.008 1.00 0.00 C ATOM 683 CD ARG A 43 0.670 -2.850 -18.315 1.00 0.00 C ATOM 684 NE ARG A 43 -0.194 -3.331 -19.417 1.00 0.00 N ATOM 685 CZ ARG A 43 -0.947 -2.531 -20.184 1.00 0.00 C ATOM 686 NH1 ARG A 43 -0.948 -1.207 -19.975 1.00 0.00 N ATOM 687 NH2 ARG A 43 -1.699 -3.055 -21.161 1.00 0.00 N ATOM 0 H ARG A 43 1.943 -6.127 -14.780 1.00 0.00 H new ATOM 0 HA ARG A 43 3.618 -4.603 -16.336 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.260 -5.614 -16.810 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.632 -4.105 -16.177 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.730 -3.408 -18.001 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.772 -4.641 -18.796 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.069 -2.665 -17.425 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.132 -1.902 -18.591 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.217 -4.333 -19.604 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.375 -0.808 -19.232 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.522 -0.599 -20.559 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.698 -4.062 -21.321 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.272 -2.447 -21.745 1.00 0.00 H new ATOM 701 N GLY A 44 2.314 -2.948 -13.891 1.00 0.00 N ATOM 702 CA GLY A 44 2.289 -1.677 -13.188 1.00 0.00 C ATOM 703 C GLY A 44 0.866 -1.120 -13.114 1.00 0.00 C ATOM 704 O GLY A 44 0.664 0.029 -12.721 1.00 0.00 O ATOM 0 H GLY A 44 1.973 -3.742 -13.348 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.686 -1.806 -12.181 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.937 -0.963 -13.697 1.00 0.00 H new ATOM 708 N LEU A 45 -0.085 -1.960 -13.496 1.00 0.00 N ATOM 709 CA LEU A 45 -1.483 -1.566 -13.478 1.00 0.00 C ATOM 710 C LEU A 45 -2.027 -1.698 -12.053 1.00 0.00 C ATOM 711 O LEU A 45 -1.968 -2.774 -11.459 1.00 0.00 O ATOM 712 CB LEU A 45 -2.278 -2.362 -14.514 1.00 0.00 C ATOM 713 CG LEU A 45 -3.710 -2.733 -14.122 1.00 0.00 C ATOM 714 CD1 LEU A 45 -4.452 -1.523 -13.552 1.00 0.00 C ATOM 715 CD2 LEU A 45 -4.456 -3.360 -15.302 1.00 0.00 C ATOM 0 H LEU A 45 0.086 -2.912 -13.820 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.587 -0.520 -13.765 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.314 -1.784 -15.438 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.733 -3.280 -14.733 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.666 -3.484 -13.334 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.467 -1.813 -13.281 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.930 -1.160 -12.667 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.488 -0.732 -14.301 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.471 -3.614 -14.997 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.493 -2.650 -16.128 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.936 -4.263 -15.623 1.00 0.00 H new ATOM 727 N LYS A 46 -2.544 -0.588 -11.546 1.00 0.00 N ATOM 728 CA LYS A 46 -3.097 -0.567 -10.203 1.00 0.00 C ATOM 729 C LYS A 46 -4.622 -0.479 -10.286 1.00 0.00 C ATOM 730 O LYS A 46 -5.161 0.285 -11.085 1.00 0.00 O ATOM 731 CB LYS A 46 -2.460 0.555 -9.379 1.00 0.00 C ATOM 732 CG LYS A 46 -3.022 1.920 -9.784 1.00 0.00 C ATOM 733 CD LYS A 46 -2.460 3.030 -8.894 1.00 0.00 C ATOM 734 CE LYS A 46 -2.559 2.650 -7.415 1.00 0.00 C ATOM 735 NZ LYS A 46 -2.780 3.854 -6.584 1.00 0.00 N ATOM 0 H LYS A 46 -2.591 0.303 -12.041 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.859 -1.492 -9.678 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.644 0.382 -8.319 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.379 0.546 -9.520 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.775 2.124 -10.826 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.109 1.906 -9.711 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.419 3.219 -9.156 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.007 3.956 -9.073 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.377 1.945 -7.269 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.645 2.147 -7.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.845 3.578 -5.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.986 4.514 -6.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.665 4.318 -6.873 1.00 0.00 H new ATOM 749 N VAL A 47 -5.275 -1.270 -9.447 1.00 0.00 N ATOM 750 CA VAL A 47 -6.727 -1.291 -9.416 1.00 0.00 C ATOM 751 C VAL A 47 -7.202 -1.223 -7.963 1.00 0.00 C ATOM 752 O VAL A 47 -6.391 -1.253 -7.039 1.00 0.00 O ATOM 753 CB VAL A 47 -7.249 -2.524 -10.157 1.00 0.00 C ATOM 754 CG1 VAL A 47 -7.327 -3.733 -9.225 1.00 0.00 C ATOM 755 CG2 VAL A 47 -8.608 -2.241 -10.803 1.00 0.00 C ATOM 0 H VAL A 47 -4.825 -1.901 -8.784 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.132 -0.421 -9.933 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.542 -2.760 -10.952 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.701 -4.595 -9.778 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.334 -3.956 -8.834 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.002 -3.512 -8.398 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.956 -3.133 -11.323 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.327 -1.966 -10.032 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.509 -1.422 -11.515 1.00 0.00 H new ATOM 765 N CYS A 48 -8.515 -1.132 -7.807 1.00 0.00 N ATOM 766 CA CYS A 48 -9.108 -1.059 -6.483 1.00 0.00 C ATOM 767 C CYS A 48 -9.974 -2.304 -6.274 1.00 0.00 C ATOM 768 O CYS A 48 -10.476 -2.881 -7.236 1.00 0.00 O ATOM 769 CB CYS A 48 -9.907 0.232 -6.291 1.00 0.00 C ATOM 770 SG CYS A 48 -9.229 1.691 -7.162 1.00 0.00 S ATOM 0 H CYS A 48 -9.185 -1.107 -8.576 1.00 0.00 H new ATOM 0 HA CYS A 48 -8.320 -1.036 -5.730 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -10.928 0.065 -6.633 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.960 0.455 -5.225 1.00 0.00 H new ATOM 775 N ALA A 49 -10.120 -2.678 -5.012 1.00 0.00 N ATOM 776 CA ALA A 49 -10.917 -3.843 -4.666 1.00 0.00 C ATOM 777 C ALA A 49 -11.468 -3.675 -3.248 1.00 0.00 C ATOM 778 O ALA A 49 -10.889 -2.957 -2.434 1.00 0.00 O ATOM 779 CB ALA A 49 -10.066 -5.106 -4.814 1.00 0.00 C ATOM 0 H ALA A 49 -9.701 -2.196 -4.217 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.767 -3.941 -5.341 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.664 -5.980 -4.555 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -9.722 -5.194 -5.845 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.205 -5.045 -4.148 1.00 0.00 H new ATOM 785 N ASP A 50 -12.580 -4.350 -2.996 1.00 0.00 N ATOM 786 CA ASP A 50 -13.216 -4.285 -1.691 1.00 0.00 C ATOM 787 C ASP A 50 -12.560 -5.304 -0.758 1.00 0.00 C ATOM 788 O ASP A 50 -12.318 -6.444 -1.150 1.00 0.00 O ATOM 789 CB ASP A 50 -14.706 -4.620 -1.787 1.00 0.00 C ATOM 790 CG ASP A 50 -15.648 -3.421 -1.669 1.00 0.00 C ATOM 791 OD1 ASP A 50 -15.356 -2.551 -0.820 1.00 0.00 O ATOM 792 OD2 ASP A 50 -16.639 -3.400 -2.430 1.00 0.00 O ATOM 0 H ASP A 50 -13.057 -4.945 -3.674 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.099 -3.271 -1.309 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.891 -5.115 -2.740 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.953 -5.335 -1.003 1.00 0.00 H new ATOM 797 N PRO A 51 -12.285 -4.845 0.492 1.00 0.00 N ATOM 798 CA PRO A 51 -11.662 -5.704 1.485 1.00 0.00 C ATOM 799 C PRO A 51 -12.665 -6.716 2.041 1.00 0.00 C ATOM 800 O PRO A 51 -12.332 -7.506 2.923 1.00 0.00 O ATOM 801 CB PRO A 51 -11.127 -4.755 2.546 1.00 0.00 C ATOM 802 CG PRO A 51 -11.870 -3.445 2.346 1.00 0.00 C ATOM 803 CD PRO A 51 -12.559 -3.500 0.992 1.00 0.00 C ATOM 0 HA PRO A 51 -10.858 -6.312 1.070 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.298 -5.152 3.547 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.052 -4.614 2.438 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.601 -3.296 3.140 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.178 -2.604 2.388 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.630 -3.323 1.085 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.167 -2.739 0.317 1.00 0.00 H new ATOM 811 N GLN A 52 -13.874 -6.661 1.501 1.00 0.00 N ATOM 812 CA GLN A 52 -14.929 -7.563 1.931 1.00 0.00 C ATOM 813 C GLN A 52 -14.787 -8.918 1.233 1.00 0.00 C ATOM 814 O GLN A 52 -15.421 -9.894 1.630 1.00 0.00 O ATOM 815 CB GLN A 52 -16.309 -6.956 1.675 1.00 0.00 C ATOM 816 CG GLN A 52 -17.329 -7.461 2.698 1.00 0.00 C ATOM 817 CD GLN A 52 -17.709 -6.356 3.685 1.00 0.00 C ATOM 818 OE1 GLN A 52 -16.868 -5.704 4.281 1.00 0.00 O ATOM 819 NE2 GLN A 52 -19.021 -6.181 3.823 1.00 0.00 N ATOM 0 H GLN A 52 -14.146 -6.005 0.769 1.00 0.00 H new ATOM 0 HA GLN A 52 -14.831 -7.718 3.005 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -16.247 -5.869 1.724 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -16.641 -7.211 0.669 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -18.221 -7.816 2.182 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -16.915 -8.311 3.240 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -19.671 -6.762 3.294 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -19.376 -5.466 4.458 1.00 0.00 H new ATOM 828 N ALA A 53 -13.950 -8.932 0.205 1.00 0.00 N ATOM 829 CA ALA A 53 -13.717 -10.149 -0.552 1.00 0.00 C ATOM 830 C ALA A 53 -12.724 -11.033 0.204 1.00 0.00 C ATOM 831 O ALA A 53 -11.655 -10.573 0.601 1.00 0.00 O ATOM 832 CB ALA A 53 -13.226 -9.791 -1.957 1.00 0.00 C ATOM 0 H ALA A 53 -13.426 -8.120 -0.120 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.643 -10.714 -0.664 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.051 -10.705 -2.525 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -13.980 -9.188 -2.463 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.297 -9.225 -1.885 1.00 0.00 H new ATOM 838 N THR A 54 -13.113 -12.287 0.382 1.00 0.00 N ATOM 839 CA THR A 54 -12.271 -13.240 1.084 1.00 0.00 C ATOM 840 C THR A 54 -11.042 -13.589 0.240 1.00 0.00 C ATOM 841 O THR A 54 -9.925 -13.636 0.753 1.00 0.00 O ATOM 842 CB THR A 54 -13.127 -14.456 1.442 1.00 0.00 C ATOM 843 OG1 THR A 54 -13.821 -14.057 2.621 1.00 0.00 O ATOM 844 CG2 THR A 54 -12.288 -15.653 1.891 1.00 0.00 C ATOM 0 H THR A 54 -14.001 -12.665 0.052 1.00 0.00 H new ATOM 0 HA THR A 54 -11.882 -12.816 2.010 1.00 0.00 H new ATOM 0 HB THR A 54 -13.731 -14.740 0.580 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.402 -14.787 2.922 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.946 -16.488 2.133 1.00 0.00 H new ATOM 0 HG22 THR A 54 -11.611 -15.945 1.088 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.708 -15.381 2.773 1.00 0.00 H new ATOM 852 N TRP A 55 -11.291 -13.827 -1.039 1.00 0.00 N ATOM 853 CA TRP A 55 -10.221 -14.170 -1.959 1.00 0.00 C ATOM 854 C TRP A 55 -9.220 -13.013 -1.974 1.00 0.00 C ATOM 855 O TRP A 55 -8.010 -13.232 -1.932 1.00 0.00 O ATOM 856 CB TRP A 55 -10.774 -14.501 -3.347 1.00 0.00 C ATOM 857 CG TRP A 55 -11.062 -13.270 -4.210 1.00 0.00 C ATOM 858 CD1 TRP A 55 -12.233 -12.643 -4.388 1.00 0.00 C ATOM 859 CD2 TRP A 55 -10.109 -12.539 -5.010 1.00 0.00 C ATOM 860 NE1 TRP A 55 -12.105 -11.566 -5.242 1.00 0.00 N ATOM 861 CE2 TRP A 55 -10.772 -11.501 -5.632 1.00 0.00 C ATOM 862 CE3 TRP A 55 -8.732 -12.748 -5.202 1.00 0.00 C ATOM 863 CZ2 TRP A 55 -10.139 -10.590 -6.487 1.00 0.00 C ATOM 864 CZ3 TRP A 55 -8.115 -11.829 -6.059 1.00 0.00 C ATOM 865 CH2 TRP A 55 -8.768 -10.779 -6.693 1.00 0.00 C ATOM 0 H TRP A 55 -12.219 -13.789 -1.460 1.00 0.00 H new ATOM 0 HA TRP A 55 -9.705 -15.072 -1.630 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -10.061 -15.139 -3.869 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -11.693 -15.076 -3.233 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -13.160 -12.943 -3.922 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -12.851 -10.934 -5.533 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -8.193 -13.554 -4.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -10.680 -9.785 -6.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.057 -11.944 -6.240 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.220 -10.112 -7.342 1.00 0.00 H new ATOM 876 N VAL A 56 -9.763 -11.805 -2.033 1.00 0.00 N ATOM 877 CA VAL A 56 -8.933 -10.613 -2.054 1.00 0.00 C ATOM 878 C VAL A 56 -8.042 -10.595 -0.810 1.00 0.00 C ATOM 879 O VAL A 56 -6.836 -10.374 -0.910 1.00 0.00 O ATOM 880 CB VAL A 56 -9.811 -9.366 -2.178 1.00 0.00 C ATOM 881 CG1 VAL A 56 -8.985 -8.093 -1.987 1.00 0.00 C ATOM 882 CG2 VAL A 56 -10.547 -9.346 -3.519 1.00 0.00 C ATOM 0 H VAL A 56 -10.767 -11.627 -2.067 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.277 -10.620 -2.924 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.559 -9.402 -1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.633 -7.221 -2.080 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.528 -8.101 -0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.205 -8.048 -2.747 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -11.164 -8.450 -3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.821 -9.345 -4.332 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.181 -10.229 -3.599 1.00 0.00 H new ATOM 892 N ARG A 57 -8.670 -10.830 0.332 1.00 0.00 N ATOM 893 CA ARG A 57 -7.949 -10.844 1.593 1.00 0.00 C ATOM 894 C ARG A 57 -6.988 -12.034 1.642 1.00 0.00 C ATOM 895 O ARG A 57 -5.915 -11.945 2.239 1.00 0.00 O ATOM 896 CB ARG A 57 -8.914 -10.928 2.778 1.00 0.00 C ATOM 897 CG ARG A 57 -9.159 -9.544 3.384 1.00 0.00 C ATOM 898 CD ARG A 57 -10.239 -9.603 4.466 1.00 0.00 C ATOM 899 NE ARG A 57 -9.679 -10.184 5.708 1.00 0.00 N ATOM 900 CZ ARG A 57 -8.998 -9.483 6.624 1.00 0.00 C ATOM 901 NH1 ARG A 57 -8.788 -8.172 6.445 1.00 0.00 N ATOM 902 NH2 ARG A 57 -8.527 -10.093 7.720 1.00 0.00 N ATOM 0 H ARG A 57 -9.670 -11.012 0.411 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.385 -9.914 1.663 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.860 -11.359 2.451 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.506 -11.595 3.538 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.232 -9.161 3.811 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.461 -8.848 2.601 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.623 -8.602 4.664 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.080 -10.204 4.120 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.821 -11.180 5.876 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.147 -7.707 5.611 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.269 -7.639 7.143 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.687 -11.091 7.857 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.008 -9.559 8.418 1.00 0.00 H new ATOM 916 N ASP A 58 -7.406 -13.118 1.007 1.00 0.00 N ATOM 917 CA ASP A 58 -6.595 -14.324 0.971 1.00 0.00 C ATOM 918 C ASP A 58 -5.313 -14.047 0.184 1.00 0.00 C ATOM 919 O ASP A 58 -4.221 -14.400 0.625 1.00 0.00 O ATOM 920 CB ASP A 58 -7.339 -15.467 0.278 1.00 0.00 C ATOM 921 CG ASP A 58 -7.403 -16.772 1.072 1.00 0.00 C ATOM 922 OD1 ASP A 58 -7.137 -16.708 2.292 1.00 0.00 O ATOM 923 OD2 ASP A 58 -7.717 -17.806 0.442 1.00 0.00 O ATOM 0 H ASP A 58 -8.296 -13.187 0.513 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.370 -14.611 1.998 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.356 -15.140 0.062 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.858 -15.665 -0.680 1.00 0.00 H new ATOM 928 N VAL A 59 -5.489 -13.419 -0.970 1.00 0.00 N ATOM 929 CA VAL A 59 -4.360 -13.091 -1.824 1.00 0.00 C ATOM 930 C VAL A 59 -3.529 -11.990 -1.161 1.00 0.00 C ATOM 931 O VAL A 59 -2.303 -11.985 -1.267 1.00 0.00 O ATOM 932 CB VAL A 59 -4.853 -12.710 -3.220 1.00 0.00 C ATOM 933 CG1 VAL A 59 -5.607 -13.871 -3.871 1.00 0.00 C ATOM 934 CG2 VAL A 59 -5.721 -11.451 -3.171 1.00 0.00 C ATOM 0 H VAL A 59 -6.397 -13.129 -1.333 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.711 -13.958 -1.950 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.980 -12.491 -3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.947 -13.573 -4.863 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.944 -14.732 -3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.468 -14.136 -3.257 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.058 -11.202 -4.177 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.586 -11.630 -2.532 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.138 -10.623 -2.769 1.00 0.00 H new ATOM 944 N VAL A 60 -4.228 -11.085 -0.494 1.00 0.00 N ATOM 945 CA VAL A 60 -3.571 -9.982 0.185 1.00 0.00 C ATOM 946 C VAL A 60 -2.573 -10.537 1.204 1.00 0.00 C ATOM 947 O VAL A 60 -1.469 -10.014 1.346 1.00 0.00 O ATOM 948 CB VAL A 60 -4.614 -9.056 0.814 1.00 0.00 C ATOM 949 CG1 VAL A 60 -4.034 -8.315 2.021 1.00 0.00 C ATOM 950 CG2 VAL A 60 -5.170 -8.075 -0.219 1.00 0.00 C ATOM 0 H VAL A 60 -5.244 -11.093 -0.409 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.008 -9.378 -0.527 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.440 -9.673 1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.796 -7.664 2.449 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.711 -9.037 2.771 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.181 -7.715 1.704 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.909 -7.429 0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.358 -7.467 -0.617 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.640 -8.629 -1.031 1.00 0.00 H new ATOM 960 N ARG A 61 -2.997 -11.591 1.886 1.00 0.00 N ATOM 961 CA ARG A 61 -2.155 -12.223 2.887 1.00 0.00 C ATOM 962 C ARG A 61 -0.849 -12.706 2.254 1.00 0.00 C ATOM 963 O ARG A 61 0.232 -12.458 2.786 1.00 0.00 O ATOM 964 CB ARG A 61 -2.868 -13.411 3.537 1.00 0.00 C ATOM 965 CG ARG A 61 -2.704 -13.384 5.057 1.00 0.00 C ATOM 966 CD ARG A 61 -1.378 -14.022 5.477 1.00 0.00 C ATOM 967 NE ARG A 61 -1.196 -13.896 6.941 1.00 0.00 N ATOM 968 CZ ARG A 61 -0.335 -14.632 7.656 1.00 0.00 C ATOM 969 NH1 ARG A 61 0.430 -15.550 7.049 1.00 0.00 N ATOM 970 NH2 ARG A 61 -0.237 -14.450 8.980 1.00 0.00 N ATOM 0 H ARG A 61 -3.913 -12.023 1.765 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.938 -11.480 3.654 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.927 -13.388 3.282 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.465 -14.343 3.141 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.745 -12.354 5.413 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.532 -13.916 5.525 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.364 -15.073 5.190 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.551 -13.538 4.957 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.761 -13.206 7.436 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.357 -15.689 6.041 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.085 -16.110 7.595 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.818 -13.751 9.443 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.419 -15.010 9.525 1.00 0.00 H new ATOM 984 N SER A 62 -0.992 -13.386 1.126 1.00 0.00 N ATOM 985 CA SER A 62 0.164 -13.907 0.414 1.00 0.00 C ATOM 986 C SER A 62 0.903 -12.765 -0.288 1.00 0.00 C ATOM 987 O SER A 62 2.128 -12.787 -0.393 1.00 0.00 O ATOM 988 CB SER A 62 -0.250 -14.974 -0.601 1.00 0.00 C ATOM 989 OG SER A 62 0.738 -15.994 -0.735 1.00 0.00 O ATOM 0 H SER A 62 -1.890 -13.589 0.687 1.00 0.00 H new ATOM 0 HA SER A 62 0.832 -14.373 1.139 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.194 -15.422 -0.292 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.422 -14.506 -1.570 1.00 0.00 H new ATOM 0 HG SER A 62 0.437 -16.657 -1.390 1.00 0.00 H new ATOM 995 N MET A 63 0.127 -11.795 -0.749 1.00 0.00 N ATOM 996 CA MET A 63 0.694 -10.648 -1.437 1.00 0.00 C ATOM 997 C MET A 63 1.869 -10.063 -0.652 1.00 0.00 C ATOM 998 O MET A 63 2.896 -9.713 -1.233 1.00 0.00 O ATOM 999 CB MET A 63 -0.384 -9.576 -1.616 1.00 0.00 C ATOM 1000 CG MET A 63 -1.260 -9.878 -2.833 1.00 0.00 C ATOM 1001 SD MET A 63 -1.352 -8.443 -3.891 1.00 0.00 S ATOM 1002 CE MET A 63 0.371 -8.264 -4.321 1.00 0.00 C ATOM 0 H MET A 63 -0.889 -11.780 -0.660 1.00 0.00 H new ATOM 0 HA MET A 63 1.059 -10.976 -2.410 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.004 -9.525 -0.721 1.00 0.00 H new ATOM 0 HB3 MET A 63 0.085 -8.599 -1.734 1.00 0.00 H new ATOM 0 HG2 MET A 63 -0.849 -10.722 -3.387 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.260 -10.166 -2.509 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.473 -7.525 -5.116 1.00 0.00 H new ATOM 0 HE2 MET A 63 0.932 -7.935 -3.446 1.00 0.00 H new ATOM 0 HE3 MET A 63 0.762 -9.222 -4.664 1.00 0.00 H new ATOM 1012 N ASP A 64 1.681 -9.976 0.656 1.00 0.00 N ATOM 1013 CA ASP A 64 2.713 -9.439 1.527 1.00 0.00 C ATOM 1014 C ASP A 64 3.875 -10.432 1.605 1.00 0.00 C ATOM 1015 O ASP A 64 5.029 -10.031 1.753 1.00 0.00 O ATOM 1016 CB ASP A 64 2.180 -9.222 2.945 1.00 0.00 C ATOM 1017 CG ASP A 64 2.729 -7.987 3.660 1.00 0.00 C ATOM 1018 OD1 ASP A 64 2.610 -6.890 3.070 1.00 0.00 O ATOM 1019 OD2 ASP A 64 3.253 -8.165 4.780 1.00 0.00 O ATOM 0 H ASP A 64 0.829 -10.268 1.134 1.00 0.00 H new ATOM 0 HA ASP A 64 3.039 -8.484 1.115 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.094 -9.145 2.901 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.413 -10.103 3.543 1.00 0.00 H new ATOM 1024 N ARG A 65 3.530 -11.706 1.500 1.00 0.00 N ATOM 1025 CA ARG A 65 4.531 -12.759 1.557 1.00 0.00 C ATOM 1026 C ARG A 65 5.413 -12.720 0.308 1.00 0.00 C ATOM 1027 O ARG A 65 6.639 -12.755 0.409 1.00 0.00 O ATOM 1028 CB ARG A 65 3.874 -14.137 1.666 1.00 0.00 C ATOM 1029 CG ARG A 65 4.831 -15.237 1.204 1.00 0.00 C ATOM 1030 CD ARG A 65 4.603 -16.529 1.992 1.00 0.00 C ATOM 1031 NE ARG A 65 5.899 -17.181 2.283 1.00 0.00 N ATOM 1032 CZ ARG A 65 6.547 -17.979 1.425 1.00 0.00 C ATOM 1033 NH1 ARG A 65 6.025 -18.230 0.216 1.00 0.00 N ATOM 1034 NH2 ARG A 65 7.720 -18.528 1.774 1.00 0.00 N ATOM 0 H ARG A 65 2.572 -12.034 1.376 1.00 0.00 H new ATOM 0 HA ARG A 65 5.142 -12.589 2.443 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.574 -14.320 2.698 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.967 -14.161 1.061 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.687 -15.426 0.140 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.861 -14.905 1.333 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.080 -16.309 2.923 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.967 -17.205 1.421 1.00 0.00 H new ATOM 0 HE ARG A 65 6.325 -17.012 3.194 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.133 -17.813 -0.051 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.520 -18.838 -0.437 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.119 -18.338 2.693 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.213 -19.136 1.120 1.00 0.00 H new ATOM 1048 N LYS A 66 4.756 -12.649 -0.840 1.00 0.00 N ATOM 1049 CA LYS A 66 5.466 -12.605 -2.108 1.00 0.00 C ATOM 1050 C LYS A 66 6.147 -11.243 -2.258 1.00 0.00 C ATOM 1051 O LYS A 66 7.209 -11.141 -2.871 1.00 0.00 O ATOM 1052 CB LYS A 66 4.523 -12.952 -3.262 1.00 0.00 C ATOM 1053 CG LYS A 66 3.631 -11.762 -3.618 1.00 0.00 C ATOM 1054 CD LYS A 66 3.088 -11.890 -5.043 1.00 0.00 C ATOM 1055 CE LYS A 66 4.169 -11.555 -6.073 1.00 0.00 C ATOM 1056 NZ LYS A 66 4.575 -12.771 -6.813 1.00 0.00 N ATOM 0 H LYS A 66 3.739 -12.621 -0.919 1.00 0.00 H new ATOM 0 HA LYS A 66 6.252 -13.360 -2.132 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.105 -13.249 -4.135 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.904 -13.806 -2.986 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.802 -11.701 -2.913 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.199 -10.836 -3.523 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.725 -12.904 -5.208 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.237 -11.222 -5.173 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.795 -10.806 -6.771 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.034 -11.121 -5.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.548 -12.657 -7.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.528 -13.595 -6.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.934 -12.917 -7.619 1.00 0.00 H new ATOM 1070 N SER A 67 5.509 -10.232 -1.688 1.00 0.00 N ATOM 1071 CA SER A 67 6.041 -8.881 -1.752 1.00 0.00 C ATOM 1072 C SER A 67 6.380 -8.385 -0.345 1.00 0.00 C ATOM 1073 O SER A 67 6.081 -7.244 0.004 1.00 0.00 O ATOM 1074 CB SER A 67 5.049 -7.930 -2.425 1.00 0.00 C ATOM 1075 OG SER A 67 5.500 -6.578 -2.396 1.00 0.00 O ATOM 0 H SER A 67 4.629 -10.321 -1.180 1.00 0.00 H new ATOM 0 HA SER A 67 6.950 -8.900 -2.353 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.896 -8.239 -3.459 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.083 -8.001 -1.925 1.00 0.00 H new ATOM 0 HG SER A 67 5.636 -6.298 -1.467 1.00 0.00 H new ATOM 1316 N GLN A 83 15.542 -18.940 -36.505 1.00 0.00 N ATOM 1317 CA GLN A 83 15.459 -19.273 -37.918 1.00 0.00 C ATOM 1318 C GLN A 83 16.860 -19.482 -38.496 1.00 0.00 C ATOM 1319 O GLN A 83 17.851 -19.064 -37.898 1.00 0.00 O ATOM 1320 CB GLN A 83 14.702 -18.192 -38.692 1.00 0.00 C ATOM 1321 CG GLN A 83 13.718 -18.816 -39.684 1.00 0.00 C ATOM 1322 CD GLN A 83 12.308 -18.871 -39.094 1.00 0.00 C ATOM 1323 OE1 GLN A 83 12.090 -18.646 -37.915 1.00 0.00 O ATOM 1324 NE2 GLN A 83 11.364 -19.184 -39.978 1.00 0.00 N ATOM 0 HA GLN A 83 14.902 -20.204 -38.021 1.00 0.00 H new ATOM 0 HB2 GLN A 83 14.163 -17.550 -37.995 1.00 0.00 H new ATOM 0 HB3 GLN A 83 15.410 -17.559 -39.226 1.00 0.00 H new ATOM 0 HG2 GLN A 83 13.708 -18.235 -40.606 1.00 0.00 H new ATOM 0 HG3 GLN A 83 14.047 -19.822 -39.944 1.00 0.00 H new ATOM 0 HE21 GLN A 83 11.615 -19.360 -40.951 1.00 0.00 H new ATOM 0 HE22 GLN A 83 10.390 -19.247 -39.683 1.00 0.00 H new ATOM 1333 N SER A 84 16.898 -20.130 -39.650 1.00 0.00 N ATOM 1334 CA SER A 84 18.161 -20.401 -40.316 1.00 0.00 C ATOM 1335 C SER A 84 17.906 -20.966 -41.715 1.00 0.00 C ATOM 1336 O SER A 84 16.834 -21.506 -41.983 1.00 0.00 O ATOM 1337 CB SER A 84 19.017 -21.372 -39.499 1.00 0.00 C ATOM 1338 OG SER A 84 18.384 -22.638 -39.340 1.00 0.00 O ATOM 0 H SER A 84 16.074 -20.476 -40.142 1.00 0.00 H new ATOM 0 HA SER A 84 18.708 -19.463 -40.405 1.00 0.00 H new ATOM 0 HB2 SER A 84 19.980 -21.508 -39.991 1.00 0.00 H new ATOM 0 HB3 SER A 84 19.218 -20.941 -38.518 1.00 0.00 H new ATOM 0 HG SER A 84 18.963 -23.229 -38.815 1.00 0.00 H new ATOM 1344 N THR A 85 18.909 -20.822 -42.568 1.00 0.00 N ATOM 1345 CA THR A 85 18.806 -21.311 -43.933 1.00 0.00 C ATOM 1346 C THR A 85 20.179 -21.748 -44.447 1.00 0.00 C ATOM 1347 O THR A 85 21.104 -21.952 -43.662 1.00 0.00 O ATOM 1348 CB THR A 85 18.160 -20.214 -44.780 1.00 0.00 C ATOM 1349 OG1 THR A 85 17.751 -20.888 -45.967 1.00 0.00 O ATOM 1350 CG2 THR A 85 19.174 -19.179 -45.271 1.00 0.00 C ATOM 0 H THR A 85 19.797 -20.374 -42.341 1.00 0.00 H new ATOM 0 HA THR A 85 18.175 -22.198 -43.990 1.00 0.00 H new ATOM 0 HB THR A 85 17.385 -19.715 -44.198 1.00 0.00 H new ATOM 0 HG1 THR A 85 17.320 -20.250 -46.573 1.00 0.00 H new ATOM 0 HG21 THR A 85 18.663 -18.423 -45.867 1.00 0.00 H new ATOM 0 HG22 THR A 85 19.652 -18.703 -44.415 1.00 0.00 H new ATOM 0 HG23 THR A 85 19.931 -19.672 -45.881 1.00 0.00 H new ATOM 1358 N ASN A 86 20.268 -21.879 -45.762 1.00 0.00 N ATOM 1359 CA ASN A 86 21.512 -22.288 -46.391 1.00 0.00 C ATOM 1360 C ASN A 86 21.306 -22.389 -47.904 1.00 0.00 C ATOM 1361 O ASN A 86 20.172 -22.367 -48.381 1.00 0.00 O ATOM 1362 CB ASN A 86 21.961 -23.660 -45.883 1.00 0.00 C ATOM 1363 CG ASN A 86 23.436 -23.638 -45.479 1.00 0.00 C ATOM 1364 OD1 ASN A 86 23.843 -22.958 -44.551 1.00 0.00 O ATOM 1365 ND2 ASN A 86 24.213 -24.421 -46.223 1.00 0.00 N ATOM 0 H ASN A 86 19.498 -21.709 -46.410 1.00 0.00 H new ATOM 0 HA ASN A 86 22.272 -21.546 -46.147 1.00 0.00 H new ATOM 0 HB2 ASN A 86 21.351 -23.953 -45.029 1.00 0.00 H new ATOM 0 HB3 ASN A 86 21.804 -24.409 -46.659 1.00 0.00 H new ATOM 0 HD21 ASN A 86 25.213 -24.478 -46.031 1.00 0.00 H new ATOM 0 HD22 ASN A 86 23.808 -24.965 -46.985 1.00 0.00 H new ATOM 1372 N THR A 87 22.418 -22.496 -48.616 1.00 0.00 N ATOM 1373 CA THR A 87 22.373 -22.600 -50.064 1.00 0.00 C ATOM 1374 C THR A 87 23.164 -23.821 -50.536 1.00 0.00 C ATOM 1375 O THR A 87 23.900 -24.427 -49.758 1.00 0.00 O ATOM 1376 CB THR A 87 22.884 -21.282 -50.648 1.00 0.00 C ATOM 1377 OG1 THR A 87 24.191 -21.142 -50.100 1.00 0.00 O ATOM 1378 CG2 THR A 87 22.123 -20.068 -50.111 1.00 0.00 C ATOM 0 H THR A 87 23.356 -22.513 -48.216 1.00 0.00 H new ATOM 0 HA THR A 87 21.354 -22.756 -50.418 1.00 0.00 H new ATOM 0 HB THR A 87 22.800 -21.311 -51.734 1.00 0.00 H new ATOM 0 HG1 THR A 87 24.596 -20.313 -50.429 1.00 0.00 H new ATOM 0 HG21 THR A 87 22.526 -19.159 -50.558 1.00 0.00 H new ATOM 0 HG22 THR A 87 21.067 -20.159 -50.364 1.00 0.00 H new ATOM 0 HG23 THR A 87 22.233 -20.019 -49.028 1.00 0.00 H new ATOM 1386 N ALA A 88 22.986 -24.146 -51.809 1.00 0.00 N ATOM 1387 CA ALA A 88 23.675 -25.284 -52.394 1.00 0.00 C ATOM 1388 C ALA A 88 23.417 -25.310 -53.902 1.00 0.00 C ATOM 1389 O ALA A 88 22.359 -25.755 -54.346 1.00 0.00 O ATOM 1390 CB ALA A 88 23.216 -26.569 -51.701 1.00 0.00 C ATOM 0 H ALA A 88 22.375 -23.641 -52.451 1.00 0.00 H new ATOM 0 HA ALA A 88 24.752 -25.200 -52.245 1.00 0.00 H new ATOM 0 HB1 ALA A 88 23.732 -27.423 -52.139 1.00 0.00 H new ATOM 0 HB2 ALA A 88 23.448 -26.512 -50.637 1.00 0.00 H new ATOM 0 HB3 ALA A 88 22.141 -26.689 -51.832 1.00 0.00 H new ATOM 1396 N VAL A 89 24.401 -24.829 -54.645 1.00 0.00 N ATOM 1397 CA VAL A 89 24.294 -24.791 -56.094 1.00 0.00 C ATOM 1398 C VAL A 89 25.667 -25.070 -56.710 1.00 0.00 C ATOM 1399 O VAL A 89 26.623 -24.340 -56.460 1.00 0.00 O ATOM 1400 CB VAL A 89 23.699 -23.454 -56.541 1.00 0.00 C ATOM 1401 CG1 VAL A 89 24.661 -22.301 -56.248 1.00 0.00 C ATOM 1402 CG2 VAL A 89 23.322 -23.489 -58.023 1.00 0.00 C ATOM 0 H VAL A 89 25.277 -24.462 -54.272 1.00 0.00 H new ATOM 0 HA VAL A 89 23.615 -25.567 -56.447 1.00 0.00 H new ATOM 0 HB VAL A 89 22.788 -23.285 -55.968 1.00 0.00 H new ATOM 0 HG11 VAL A 89 24.214 -21.362 -56.575 1.00 0.00 H new ATOM 0 HG12 VAL A 89 24.858 -22.255 -55.177 1.00 0.00 H new ATOM 0 HG13 VAL A 89 25.597 -22.463 -56.783 1.00 0.00 H new ATOM 0 HG21 VAL A 89 22.902 -22.526 -58.314 1.00 0.00 H new ATOM 0 HG22 VAL A 89 24.211 -23.692 -58.620 1.00 0.00 H new ATOM 0 HG23 VAL A 89 22.584 -24.273 -58.192 1.00 0.00 H new ATOM 1412 N THR A 90 25.719 -26.130 -57.503 1.00 0.00 N ATOM 1413 CA THR A 90 26.958 -26.515 -58.157 1.00 0.00 C ATOM 1414 C THR A 90 26.739 -26.679 -59.662 1.00 0.00 C ATOM 1415 O THR A 90 25.626 -26.963 -60.104 1.00 0.00 O ATOM 1416 CB THR A 90 27.477 -27.783 -57.477 1.00 0.00 C ATOM 1417 OG1 THR A 90 27.899 -27.339 -56.190 1.00 0.00 O ATOM 1418 CG2 THR A 90 28.758 -28.314 -58.126 1.00 0.00 C ATOM 0 H THR A 90 24.923 -26.734 -57.707 1.00 0.00 H new ATOM 0 HA THR A 90 27.717 -25.739 -58.054 1.00 0.00 H new ATOM 0 HB THR A 90 26.707 -28.553 -57.510 1.00 0.00 H new ATOM 0 HG1 THR A 90 28.249 -28.099 -55.680 1.00 0.00 H new ATOM 0 HG21 THR A 90 29.083 -29.215 -57.605 1.00 0.00 H new ATOM 0 HG22 THR A 90 28.565 -28.550 -59.173 1.00 0.00 H new ATOM 0 HG23 THR A 90 29.539 -27.556 -58.063 1.00 0.00 H new ATOM 1426 N LEU A 91 27.818 -26.496 -60.409 1.00 0.00 N ATOM 1427 CA LEU A 91 27.757 -26.620 -61.855 1.00 0.00 C ATOM 1428 C LEU A 91 28.395 -27.946 -62.276 1.00 0.00 C ATOM 1429 O LEU A 91 29.494 -28.277 -61.837 1.00 0.00 O ATOM 1430 CB LEU A 91 28.386 -25.396 -62.525 1.00 0.00 C ATOM 1431 CG LEU A 91 29.102 -25.652 -63.853 1.00 0.00 C ATOM 1432 CD1 LEU A 91 28.117 -26.125 -64.924 1.00 0.00 C ATOM 1433 CD2 LEU A 91 29.885 -24.417 -64.300 1.00 0.00 C ATOM 0 H LEU A 91 28.740 -26.263 -60.040 1.00 0.00 H new ATOM 0 HA LEU A 91 26.721 -26.642 -62.192 1.00 0.00 H new ATOM 0 HB2 LEU A 91 27.603 -24.656 -62.694 1.00 0.00 H new ATOM 0 HB3 LEU A 91 29.099 -24.952 -61.830 1.00 0.00 H new ATOM 0 HG LEU A 91 29.824 -26.454 -63.703 1.00 0.00 H new ATOM 0 HD11 LEU A 91 28.651 -26.300 -65.858 1.00 0.00 H new ATOM 0 HD12 LEU A 91 27.643 -27.051 -64.599 1.00 0.00 H new ATOM 0 HD13 LEU A 91 27.354 -25.362 -65.080 1.00 0.00 H new ATOM 0 HD21 LEU A 91 30.384 -24.626 -65.246 1.00 0.00 H new ATOM 0 HD22 LEU A 91 29.200 -23.579 -64.428 1.00 0.00 H new ATOM 0 HD23 LEU A 91 30.629 -24.165 -63.545 1.00 0.00 H new ATOM 1445 N THR A 92 27.675 -28.669 -63.121 1.00 0.00 N ATOM 1446 CA THR A 92 28.156 -29.952 -63.606 1.00 0.00 C ATOM 1447 C THR A 92 29.221 -29.748 -64.685 1.00 0.00 C ATOM 1448 O THR A 92 29.247 -28.714 -65.350 1.00 0.00 O ATOM 1449 CB THR A 92 26.949 -30.758 -64.088 1.00 0.00 C ATOM 1450 OG1 THR A 92 27.522 -31.835 -64.824 1.00 0.00 O ATOM 1451 CG2 THR A 92 26.115 -30.002 -65.124 1.00 0.00 C ATOM 0 H THR A 92 26.762 -28.391 -63.482 1.00 0.00 H new ATOM 0 HA THR A 92 28.646 -30.517 -62.813 1.00 0.00 H new ATOM 0 HB THR A 92 26.321 -31.016 -63.235 1.00 0.00 H new ATOM 0 HG1 THR A 92 26.808 -32.410 -65.172 1.00 0.00 H new ATOM 0 HG21 THR A 92 25.271 -30.619 -65.432 1.00 0.00 H new ATOM 0 HG22 THR A 92 25.746 -29.074 -64.687 1.00 0.00 H new ATOM 0 HG23 THR A 92 26.733 -29.773 -65.992 1.00 0.00 H new