USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 624 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 TYR OH : rot 180:sc= -0.601 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 93:sc= -0.383 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -3.2 K(o=-3.2,f=-6.9!) USER MOD Single : A 29 ASN : amide:sc= 0.366 K(o=0.37,f=-0.55) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -46:sc= -3.09! USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -7.79! C(o=-7.8!,f=-8.4!) USER MOD Single : A 44 HIS : no HD1:sc= -0.257 X(o=-0.26,f=-0.0042) USER MOD Single : A 63 SER OG : rot 94:sc= 0.678 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 36:sc= 0.571 USER MOD Single : A 78 MET CE :methyl 172:sc= -1.41 (180deg=-1.51) USER MOD Single : A 80 HIS :FLIP no HD1:sc= -1.18 F(o=-3.2!,f=-1.2) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 141:sc= -0.0326 USER MOD Single : A 89 HIS : no HD1:sc= -4.86! C(o=-4.9!,f=-5.9!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -112:sc= -1.27 (180deg=-3.17!) USER MOD ----------------------------------------------------------------- ATOM 191 N TYR A 11 14.215 2.765 -2.063 1.00 0.00 N ATOM 192 CA TYR A 11 13.635 1.508 -2.521 1.00 0.00 C ATOM 193 C TYR A 11 12.224 1.325 -1.971 1.00 0.00 C ATOM 194 O TYR A 11 12.038 1.054 -0.784 1.00 0.00 O ATOM 195 CB TYR A 11 14.517 0.331 -2.097 1.00 0.00 C ATOM 196 CG TYR A 11 15.926 0.403 -2.641 1.00 0.00 C ATOM 197 CD1 TYR A 11 16.164 0.392 -4.010 1.00 0.00 C ATOM 198 CD2 TYR A 11 17.018 0.482 -1.786 1.00 0.00 C ATOM 199 CE1 TYR A 11 17.450 0.456 -4.511 1.00 0.00 C ATOM 200 CE2 TYR A 11 18.307 0.549 -2.278 1.00 0.00 C ATOM 201 CZ TYR A 11 18.518 0.535 -3.641 1.00 0.00 C ATOM 202 OH TYR A 11 19.801 0.600 -4.136 1.00 0.00 O ATOM 0 HA TYR A 11 13.579 1.539 -3.609 1.00 0.00 H new ATOM 0 HB2 TYR A 11 14.558 0.293 -1.008 1.00 0.00 H new ATOM 0 HB3 TYR A 11 14.054 -0.598 -2.431 1.00 0.00 H new ATOM 0 HD1 TYR A 11 15.330 0.332 -4.694 1.00 0.00 H new ATOM 0 HD2 TYR A 11 16.856 0.491 -0.718 1.00 0.00 H new ATOM 0 HE1 TYR A 11 17.618 0.444 -5.578 1.00 0.00 H new ATOM 0 HE2 TYR A 11 19.145 0.612 -1.599 1.00 0.00 H new ATOM 0 HH TYR A 11 20.436 0.653 -3.392 1.00 0.00 H new ATOM 212 N VAL A 12 11.232 1.476 -2.842 1.00 0.00 N ATOM 213 CA VAL A 12 9.837 1.326 -2.446 1.00 0.00 C ATOM 214 C VAL A 12 9.047 0.553 -3.496 1.00 0.00 C ATOM 215 O VAL A 12 9.465 0.447 -4.649 1.00 0.00 O ATOM 216 CB VAL A 12 9.168 2.695 -2.220 1.00 0.00 C ATOM 217 CG1 VAL A 12 7.682 2.524 -1.943 1.00 0.00 C ATOM 218 CG2 VAL A 12 9.849 3.439 -1.082 1.00 0.00 C ATOM 0 H VAL A 12 11.369 1.702 -3.827 1.00 0.00 H new ATOM 0 HA VAL A 12 9.832 0.768 -1.510 1.00 0.00 H new ATOM 0 HB VAL A 12 9.278 3.288 -3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.226 3.502 -1.786 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.207 2.035 -2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.546 1.913 -1.051 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.364 4.404 -0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.773 2.852 -0.167 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.900 3.595 -1.326 1.00 0.00 H new ATOM 228 N VAL A 13 7.902 0.015 -3.090 1.00 0.00 N ATOM 229 CA VAL A 13 7.051 -0.747 -3.996 1.00 0.00 C ATOM 230 C VAL A 13 5.576 -0.531 -3.677 1.00 0.00 C ATOM 231 O VAL A 13 5.200 -0.341 -2.520 1.00 0.00 O ATOM 232 CB VAL A 13 7.364 -2.254 -3.926 1.00 0.00 C ATOM 233 CG1 VAL A 13 8.757 -2.535 -4.470 1.00 0.00 C ATOM 234 CG2 VAL A 13 7.228 -2.760 -2.498 1.00 0.00 C ATOM 0 H VAL A 13 7.542 0.093 -2.139 1.00 0.00 H new ATOM 0 HA VAL A 13 7.259 -0.386 -5.003 1.00 0.00 H new ATOM 0 HB VAL A 13 6.643 -2.787 -4.546 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.961 -3.604 -4.413 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.814 -2.210 -5.509 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.495 -1.993 -3.879 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.453 -3.826 -2.467 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.925 -2.223 -1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.209 -2.593 -2.148 1.00 0.00 H new ATOM 244 N LYS A 14 4.742 -0.561 -4.712 1.00 0.00 N ATOM 245 CA LYS A 14 3.306 -0.370 -4.544 1.00 0.00 C ATOM 246 C LYS A 14 2.551 -1.671 -4.798 1.00 0.00 C ATOM 247 O LYS A 14 2.882 -2.424 -5.715 1.00 0.00 O ATOM 248 CB LYS A 14 2.802 0.719 -5.493 1.00 0.00 C ATOM 249 CG LYS A 14 1.307 0.653 -5.754 1.00 0.00 C ATOM 250 CD LYS A 14 0.895 1.591 -6.876 1.00 0.00 C ATOM 251 CE LYS A 14 0.710 3.014 -6.374 1.00 0.00 C ATOM 252 NZ LYS A 14 -0.038 3.854 -7.350 1.00 0.00 N ATOM 0 H LYS A 14 5.036 -0.716 -5.676 1.00 0.00 H new ATOM 0 HA LYS A 14 3.123 -0.060 -3.515 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.047 1.695 -5.075 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.332 0.636 -6.442 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.026 -0.368 -6.011 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.766 0.913 -4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.652 1.576 -7.660 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.034 1.238 -7.323 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.175 2.997 -5.424 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.685 3.461 -6.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.143 4.817 -6.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.485 3.891 -8.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.979 3.442 -7.514 1.00 0.00 H new ATOM 266 N LEU A 15 1.535 -1.929 -3.982 1.00 0.00 N ATOM 267 CA LEU A 15 0.731 -3.138 -4.119 1.00 0.00 C ATOM 268 C LEU A 15 -0.730 -2.793 -4.386 1.00 0.00 C ATOM 269 O LEU A 15 -1.347 -2.037 -3.635 1.00 0.00 O ATOM 270 CB LEU A 15 0.843 -3.995 -2.857 1.00 0.00 C ATOM 271 CG LEU A 15 2.251 -4.462 -2.485 1.00 0.00 C ATOM 272 CD1 LEU A 15 2.243 -5.154 -1.131 1.00 0.00 C ATOM 273 CD2 LEU A 15 2.806 -5.388 -3.556 1.00 0.00 C ATOM 0 H LEU A 15 1.248 -1.317 -3.218 1.00 0.00 H new ATOM 0 HA LEU A 15 1.112 -3.704 -4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.437 -3.428 -2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.211 -4.875 -2.982 1.00 0.00 H new ATOM 0 HG LEU A 15 2.898 -3.587 -2.419 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.253 -5.480 -0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.888 -4.459 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.582 -6.020 -1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.808 -5.710 -3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.159 -6.260 -3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.849 -4.859 -4.508 1.00 0.00 H new ATOM 285 N ARG A 16 -1.279 -3.355 -5.459 1.00 0.00 N ATOM 286 CA ARG A 16 -2.669 -3.107 -5.824 1.00 0.00 C ATOM 287 C ARG A 16 -3.472 -4.404 -5.816 1.00 0.00 C ATOM 288 O ARG A 16 -2.916 -5.491 -5.969 1.00 0.00 O ATOM 289 CB ARG A 16 -2.747 -2.454 -7.205 1.00 0.00 C ATOM 290 CG ARG A 16 -4.068 -1.754 -7.473 1.00 0.00 C ATOM 291 CD ARG A 16 -4.191 -1.335 -8.930 1.00 0.00 C ATOM 292 NE ARG A 16 -4.512 -2.463 -9.799 1.00 0.00 N ATOM 293 CZ ARG A 16 -5.074 -2.333 -10.996 1.00 0.00 C ATOM 294 NH1 ARG A 16 -5.375 -1.129 -11.463 1.00 0.00 N ATOM 295 NH2 ARG A 16 -5.336 -3.408 -11.728 1.00 0.00 N ATOM 0 H ARG A 16 -0.783 -3.984 -6.090 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.098 -2.430 -5.085 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.936 -1.732 -7.302 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.588 -3.216 -7.968 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.892 -2.418 -7.214 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.152 -0.876 -6.832 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.965 -0.573 -9.024 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.256 -0.881 -9.257 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.293 -3.403 -9.469 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.175 -0.300 -10.903 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.806 -1.032 -12.382 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.106 -4.336 -11.372 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.767 -3.307 -12.647 1.00 0.00 H new ATOM 309 N GLY A 17 -4.784 -4.282 -5.636 1.00 0.00 N ATOM 310 CA GLY A 17 -5.642 -5.452 -5.611 1.00 0.00 C ATOM 311 C GLY A 17 -5.699 -6.099 -4.242 1.00 0.00 C ATOM 312 O GLY A 17 -6.038 -7.277 -4.118 1.00 0.00 O ATOM 0 H GLY A 17 -5.268 -3.393 -5.507 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.649 -5.167 -5.917 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.281 -6.179 -6.338 1.00 0.00 H new ATOM 316 N LEU A 18 -5.366 -5.331 -3.211 1.00 0.00 N ATOM 317 CA LEU A 18 -5.379 -5.837 -1.843 1.00 0.00 C ATOM 318 C LEU A 18 -6.802 -5.886 -1.295 1.00 0.00 C ATOM 319 O LEU A 18 -7.645 -5.046 -1.611 1.00 0.00 O ATOM 320 CB LEU A 18 -4.504 -4.961 -0.946 1.00 0.00 C ATOM 321 CG LEU A 18 -3.016 -4.918 -1.295 1.00 0.00 C ATOM 322 CD1 LEU A 18 -2.343 -3.733 -0.619 1.00 0.00 C ATOM 323 CD2 LEU A 18 -2.336 -6.219 -0.894 1.00 0.00 C ATOM 0 H LEU A 18 -5.083 -4.355 -3.296 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.978 -6.850 -1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.893 -3.943 -0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.606 -5.312 0.081 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.919 -4.798 -2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.285 -3.719 -0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.812 -2.808 -0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.450 -3.822 0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.278 -6.170 -1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.443 -6.369 0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.800 -7.051 -1.425 1.00 0.00 H new ATOM 335 N PRO A 19 -7.076 -6.892 -0.451 1.00 0.00 N ATOM 336 CA PRO A 19 -8.396 -7.072 0.162 1.00 0.00 C ATOM 337 C PRO A 19 -8.710 -5.992 1.192 1.00 0.00 C ATOM 338 O PRO A 19 -7.808 -5.450 1.831 1.00 0.00 O ATOM 339 CB PRO A 19 -8.288 -8.441 0.840 1.00 0.00 C ATOM 340 CG PRO A 19 -6.832 -8.620 1.101 1.00 0.00 C ATOM 341 CD PRO A 19 -6.120 -7.929 -0.029 1.00 0.00 C ATOM 0 HA PRO A 19 -9.199 -7.006 -0.573 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.863 -8.471 1.766 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.676 -9.232 0.198 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.552 -8.187 2.061 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.570 -9.677 1.139 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.175 -7.495 0.297 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.891 -8.619 -0.841 1.00 0.00 H new ATOM 349 N TRP A 20 -9.992 -5.685 1.347 1.00 0.00 N ATOM 350 CA TRP A 20 -10.424 -4.668 2.300 1.00 0.00 C ATOM 351 C TRP A 20 -10.085 -5.082 3.728 1.00 0.00 C ATOM 352 O TRP A 20 -10.255 -4.304 4.666 1.00 0.00 O ATOM 353 CB TRP A 20 -11.929 -4.425 2.170 1.00 0.00 C ATOM 354 CG TRP A 20 -12.282 -3.457 1.082 1.00 0.00 C ATOM 355 CD1 TRP A 20 -11.535 -3.155 -0.021 1.00 0.00 C ATOM 356 CD2 TRP A 20 -13.470 -2.662 0.994 1.00 0.00 C ATOM 357 NE1 TRP A 20 -12.187 -2.221 -0.789 1.00 0.00 N ATOM 358 CE2 TRP A 20 -13.376 -1.903 -0.189 1.00 0.00 C ATOM 359 CE3 TRP A 20 -14.604 -2.520 1.798 1.00 0.00 C ATOM 360 CZ2 TRP A 20 -14.374 -1.015 -0.584 1.00 0.00 C ATOM 361 CZ3 TRP A 20 -15.592 -1.638 1.405 1.00 0.00 C ATOM 362 CH2 TRP A 20 -15.473 -0.895 0.223 1.00 0.00 C ATOM 0 H TRP A 20 -10.751 -6.125 0.826 1.00 0.00 H new ATOM 0 HA TRP A 20 -9.893 -3.744 2.074 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -12.428 -5.375 1.978 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -12.313 -4.050 3.119 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.573 -3.587 -0.255 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -11.841 -1.828 -1.664 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -14.706 -3.089 2.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -14.284 -0.442 -1.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -16.472 -1.519 2.020 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -16.264 -0.215 -0.057 1.00 0.00 H new ATOM 373 N SER A 21 -9.606 -6.312 3.885 1.00 0.00 N ATOM 374 CA SER A 21 -9.246 -6.830 5.200 1.00 0.00 C ATOM 375 C SER A 21 -7.737 -7.018 5.316 1.00 0.00 C ATOM 376 O SER A 21 -7.246 -7.610 6.278 1.00 0.00 O ATOM 377 CB SER A 21 -9.959 -8.158 5.461 1.00 0.00 C ATOM 378 OG SER A 21 -9.496 -9.167 4.580 1.00 0.00 O ATOM 0 H SER A 21 -9.458 -6.968 3.118 1.00 0.00 H new ATOM 0 HA SER A 21 -9.562 -6.103 5.948 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.792 -8.467 6.493 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.034 -8.028 5.337 1.00 0.00 H new ATOM 0 HG SER A 21 -9.966 -10.006 4.768 1.00 0.00 H new ATOM 384 N CYS A 22 -7.006 -6.511 4.329 1.00 0.00 N ATOM 385 CA CYS A 22 -5.552 -6.624 4.318 1.00 0.00 C ATOM 386 C CYS A 22 -4.941 -5.883 5.503 1.00 0.00 C ATOM 387 O CYS A 22 -5.406 -4.809 5.883 1.00 0.00 O ATOM 388 CB CYS A 22 -4.987 -6.071 3.009 1.00 0.00 C ATOM 389 SG CYS A 22 -3.270 -6.540 2.689 1.00 0.00 S ATOM 0 H CYS A 22 -7.397 -6.018 3.526 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.293 -7.680 4.400 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.607 -6.418 2.183 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -5.058 -4.983 3.026 1.00 0.00 H new ATOM 0 HG CYS A 22 -3.243 -7.617 1.961 1.00 0.00 H new ATOM 395 N SER A 23 -3.896 -6.465 6.083 1.00 0.00 N ATOM 396 CA SER A 23 -3.224 -5.863 7.228 1.00 0.00 C ATOM 397 C SER A 23 -1.709 -5.888 7.044 1.00 0.00 C ATOM 398 O SER A 23 -1.166 -6.786 6.399 1.00 0.00 O ATOM 399 CB SER A 23 -3.605 -6.598 8.514 1.00 0.00 C ATOM 400 OG SER A 23 -4.904 -6.232 8.945 1.00 0.00 O ATOM 0 H SER A 23 -3.497 -7.353 5.778 1.00 0.00 H new ATOM 0 HA SER A 23 -3.546 -4.824 7.302 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.564 -7.674 8.347 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.881 -6.369 9.296 1.00 0.00 H new ATOM 0 HG SER A 23 -5.124 -6.717 9.768 1.00 0.00 H new ATOM 406 N ILE A 24 -1.034 -4.897 7.616 1.00 0.00 N ATOM 407 CA ILE A 24 0.418 -4.806 7.516 1.00 0.00 C ATOM 408 C ILE A 24 1.054 -6.191 7.471 1.00 0.00 C ATOM 409 O ILE A 24 1.875 -6.479 6.601 1.00 0.00 O ATOM 410 CB ILE A 24 1.014 -4.017 8.697 1.00 0.00 C ATOM 411 CG1 ILE A 24 0.615 -2.543 8.608 1.00 0.00 C ATOM 412 CG2 ILE A 24 2.529 -4.161 8.718 1.00 0.00 C ATOM 413 CD1 ILE A 24 0.888 -1.765 9.876 1.00 0.00 C ATOM 0 H ILE A 24 -1.468 -4.146 8.153 1.00 0.00 H new ATOM 0 HA ILE A 24 0.639 -4.278 6.588 1.00 0.00 H new ATOM 0 HB ILE A 24 0.616 -4.426 9.626 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.155 -2.078 7.783 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.447 -2.476 8.372 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.936 -3.598 9.558 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.793 -5.213 8.824 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.944 -3.775 7.787 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.580 -0.728 9.740 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.327 -2.205 10.701 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.954 -1.801 10.102 1.00 0.00 H new ATOM 425 N GLU A 25 0.667 -7.045 8.414 1.00 0.00 N ATOM 426 CA GLU A 25 1.200 -8.400 8.481 1.00 0.00 C ATOM 427 C GLU A 25 1.119 -9.085 7.119 1.00 0.00 C ATOM 428 O GLU A 25 2.115 -9.598 6.610 1.00 0.00 O ATOM 429 CB GLU A 25 0.437 -9.221 9.523 1.00 0.00 C ATOM 430 CG GLU A 25 1.041 -9.149 10.915 1.00 0.00 C ATOM 431 CD GLU A 25 2.553 -9.267 10.902 1.00 0.00 C ATOM 432 OE1 GLU A 25 3.075 -10.110 10.144 1.00 0.00 O ATOM 433 OE2 GLU A 25 3.213 -8.516 11.650 1.00 0.00 O ATOM 0 H GLU A 25 -0.013 -6.822 9.141 1.00 0.00 H new ATOM 0 HA GLU A 25 2.248 -8.337 8.775 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.594 -8.871 9.565 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.407 -10.262 9.202 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.758 -8.205 11.381 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.623 -9.946 11.530 1.00 0.00 H new ATOM 440 N ASP A 26 -0.075 -9.088 6.536 1.00 0.00 N ATOM 441 CA ASP A 26 -0.288 -9.708 5.233 1.00 0.00 C ATOM 442 C ASP A 26 0.710 -9.177 4.209 1.00 0.00 C ATOM 443 O ASP A 26 1.164 -9.910 3.331 1.00 0.00 O ATOM 444 CB ASP A 26 -1.717 -9.453 4.751 1.00 0.00 C ATOM 445 CG ASP A 26 -2.756 -10.060 5.674 1.00 0.00 C ATOM 446 OD1 ASP A 26 -2.498 -10.130 6.894 1.00 0.00 O ATOM 447 OD2 ASP A 26 -3.827 -10.464 5.176 1.00 0.00 O ATOM 0 H ASP A 26 -0.910 -8.668 6.945 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.135 -10.782 5.339 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.886 -8.379 4.675 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.839 -9.866 3.750 1.00 0.00 H new ATOM 452 N VAL A 27 1.046 -7.896 4.327 1.00 0.00 N ATOM 453 CA VAL A 27 1.990 -7.266 3.411 1.00 0.00 C ATOM 454 C VAL A 27 3.416 -7.732 3.685 1.00 0.00 C ATOM 455 O VAL A 27 4.132 -8.138 2.771 1.00 0.00 O ATOM 456 CB VAL A 27 1.935 -5.731 3.517 1.00 0.00 C ATOM 457 CG1 VAL A 27 2.921 -5.093 2.550 1.00 0.00 C ATOM 458 CG2 VAL A 27 0.522 -5.230 3.257 1.00 0.00 C ATOM 0 H VAL A 27 0.679 -7.274 5.048 1.00 0.00 H new ATOM 0 HA VAL A 27 1.700 -7.564 2.403 1.00 0.00 H new ATOM 0 HB VAL A 27 2.218 -5.444 4.530 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.868 -4.008 2.639 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.931 -5.427 2.787 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.672 -5.386 1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.501 -4.143 3.336 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.209 -5.527 2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.158 -5.660 3.993 1.00 0.00 H new ATOM 468 N GLN A 28 3.820 -7.671 4.950 1.00 0.00 N ATOM 469 CA GLN A 28 5.161 -8.087 5.344 1.00 0.00 C ATOM 470 C GLN A 28 5.432 -9.525 4.916 1.00 0.00 C ATOM 471 O GLN A 28 6.526 -9.851 4.458 1.00 0.00 O ATOM 472 CB GLN A 28 5.335 -7.951 6.858 1.00 0.00 C ATOM 473 CG GLN A 28 5.165 -6.527 7.364 1.00 0.00 C ATOM 474 CD GLN A 28 5.364 -6.414 8.863 1.00 0.00 C ATOM 475 OE1 GLN A 28 4.421 -6.572 9.639 1.00 0.00 O ATOM 476 NE2 GLN A 28 6.594 -6.138 9.278 1.00 0.00 N ATOM 0 H GLN A 28 3.238 -7.338 5.719 1.00 0.00 H new ATOM 0 HA GLN A 28 5.878 -7.437 4.843 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.611 -8.594 7.358 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.326 -8.311 7.135 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.878 -5.877 6.856 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.168 -6.170 7.105 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.346 -6.015 8.599 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.788 -6.049 10.275 1.00 0.00 H new ATOM 485 N ASN A 29 4.428 -10.383 5.070 1.00 0.00 N ATOM 486 CA ASN A 29 4.559 -11.787 4.701 1.00 0.00 C ATOM 487 C ASN A 29 4.496 -11.960 3.186 1.00 0.00 C ATOM 488 O ASN A 29 5.153 -12.835 2.622 1.00 0.00 O ATOM 489 CB ASN A 29 3.459 -12.616 5.366 1.00 0.00 C ATOM 490 CG ASN A 29 3.600 -12.660 6.875 1.00 0.00 C ATOM 491 OD1 ASN A 29 4.441 -13.384 7.410 1.00 0.00 O ATOM 492 ND2 ASN A 29 2.776 -11.885 7.569 1.00 0.00 N ATOM 0 H ASN A 29 3.515 -10.130 5.448 1.00 0.00 H new ATOM 0 HA ASN A 29 5.530 -12.139 5.049 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.486 -12.198 5.107 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.485 -13.632 4.972 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.824 -11.873 8.588 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.095 -11.301 7.084 1.00 0.00 H new ATOM 499 N PHE A 30 3.701 -11.118 2.533 1.00 0.00 N ATOM 500 CA PHE A 30 3.551 -11.177 1.084 1.00 0.00 C ATOM 501 C PHE A 30 4.882 -10.906 0.388 1.00 0.00 C ATOM 502 O PHE A 30 5.177 -11.483 -0.660 1.00 0.00 O ATOM 503 CB PHE A 30 2.504 -10.164 0.617 1.00 0.00 C ATOM 504 CG PHE A 30 2.306 -10.150 -0.872 1.00 0.00 C ATOM 505 CD1 PHE A 30 1.521 -11.110 -1.490 1.00 0.00 C ATOM 506 CD2 PHE A 30 2.905 -9.176 -1.654 1.00 0.00 C ATOM 507 CE1 PHE A 30 1.337 -11.100 -2.860 1.00 0.00 C ATOM 508 CE2 PHE A 30 2.725 -9.160 -3.025 1.00 0.00 C ATOM 509 CZ PHE A 30 1.940 -10.124 -3.628 1.00 0.00 C ATOM 0 H PHE A 30 3.151 -10.387 2.985 1.00 0.00 H new ATOM 0 HA PHE A 30 3.220 -12.181 0.819 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.553 -10.388 1.100 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.802 -9.168 0.945 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.047 -11.876 -0.894 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.520 -8.420 -1.188 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.723 -11.854 -3.329 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.197 -8.395 -3.624 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.798 -10.114 -4.699 1.00 0.00 H new ATOM 519 N LEU A 31 5.682 -10.024 0.977 1.00 0.00 N ATOM 520 CA LEU A 31 6.982 -9.675 0.415 1.00 0.00 C ATOM 521 C LEU A 31 8.114 -10.206 1.289 1.00 0.00 C ATOM 522 O LEU A 31 9.135 -9.543 1.469 1.00 0.00 O ATOM 523 CB LEU A 31 7.105 -8.158 0.267 1.00 0.00 C ATOM 524 CG LEU A 31 6.043 -7.479 -0.599 1.00 0.00 C ATOM 525 CD1 LEU A 31 6.250 -5.972 -0.614 1.00 0.00 C ATOM 526 CD2 LEU A 31 6.071 -8.038 -2.014 1.00 0.00 C ATOM 0 H LEU A 31 5.453 -9.537 1.844 1.00 0.00 H new ATOM 0 HA LEU A 31 7.061 -10.137 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.073 -7.712 1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.085 -7.932 -0.152 1.00 0.00 H new ATOM 0 HG LEU A 31 5.063 -7.686 -0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.485 -5.506 -1.235 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.178 -5.585 0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.236 -5.744 -1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.309 -7.543 -2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.052 -7.862 -2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.872 -9.109 -1.986 1.00 0.00 H new ATOM 538 N SER A 32 7.925 -11.407 1.827 1.00 0.00 N ATOM 539 CA SER A 32 8.930 -12.026 2.684 1.00 0.00 C ATOM 540 C SER A 32 10.268 -12.136 1.960 1.00 0.00 C ATOM 541 O SER A 32 11.325 -12.191 2.590 1.00 0.00 O ATOM 542 CB SER A 32 8.464 -13.413 3.131 1.00 0.00 C ATOM 543 OG SER A 32 8.560 -14.350 2.072 1.00 0.00 O ATOM 0 H SER A 32 7.086 -11.970 1.685 1.00 0.00 H new ATOM 0 HA SER A 32 9.063 -11.394 3.562 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.068 -13.749 3.974 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.433 -13.359 3.480 1.00 0.00 H new ATOM 0 HG SER A 32 8.258 -15.228 2.384 1.00 0.00 H new ATOM 549 N ASP A 33 10.215 -12.167 0.633 1.00 0.00 N ATOM 550 CA ASP A 33 11.422 -12.268 -0.179 1.00 0.00 C ATOM 551 C ASP A 33 12.230 -10.976 -0.116 1.00 0.00 C ATOM 552 O ASP A 33 13.411 -10.953 -0.464 1.00 0.00 O ATOM 553 CB ASP A 33 11.062 -12.590 -1.630 1.00 0.00 C ATOM 554 CG ASP A 33 10.557 -14.009 -1.801 1.00 0.00 C ATOM 555 OD1 ASP A 33 9.335 -14.225 -1.662 1.00 0.00 O ATOM 556 OD2 ASP A 33 11.385 -14.903 -2.073 1.00 0.00 O ATOM 0 H ASP A 33 9.349 -12.124 0.096 1.00 0.00 H new ATOM 0 HA ASP A 33 12.033 -13.076 0.223 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.299 -11.892 -1.975 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.939 -12.441 -2.260 1.00 0.00 H new ATOM 561 N CYS A 34 11.585 -9.903 0.328 1.00 0.00 N ATOM 562 CA CYS A 34 12.243 -8.605 0.434 1.00 0.00 C ATOM 563 C CYS A 34 12.538 -8.262 1.891 1.00 0.00 C ATOM 564 O CYS A 34 12.048 -8.923 2.807 1.00 0.00 O ATOM 565 CB CYS A 34 11.371 -7.515 -0.193 1.00 0.00 C ATOM 566 SG CYS A 34 10.134 -6.823 0.930 1.00 0.00 S ATOM 0 H CYS A 34 10.608 -9.906 0.620 1.00 0.00 H new ATOM 0 HA CYS A 34 13.188 -8.659 -0.106 1.00 0.00 H new ATOM 0 HB2 CYS A 34 12.014 -6.710 -0.549 1.00 0.00 H new ATOM 0 HB3 CYS A 34 10.864 -7.927 -1.065 1.00 0.00 H new ATOM 0 HG CYS A 34 9.528 -7.788 1.556 1.00 0.00 H new ATOM 572 N THR A 35 13.343 -7.225 2.098 1.00 0.00 N ATOM 573 CA THR A 35 13.706 -6.796 3.443 1.00 0.00 C ATOM 574 C THR A 35 13.108 -5.432 3.765 1.00 0.00 C ATOM 575 O THR A 35 13.809 -4.420 3.763 1.00 0.00 O ATOM 576 CB THR A 35 15.235 -6.728 3.617 1.00 0.00 C ATOM 577 OG1 THR A 35 15.814 -8.015 3.378 1.00 0.00 O ATOM 578 CG2 THR A 35 15.600 -6.254 5.016 1.00 0.00 C ATOM 0 H THR A 35 13.756 -6.666 1.351 1.00 0.00 H new ATOM 0 HA THR A 35 13.302 -7.538 4.132 1.00 0.00 H new ATOM 0 HB THR A 35 15.629 -6.014 2.894 1.00 0.00 H new ATOM 0 HG1 THR A 35 16.786 -7.962 3.489 1.00 0.00 H new ATOM 0 HG21 THR A 35 16.685 -6.214 5.115 1.00 0.00 H new ATOM 0 HG22 THR A 35 15.183 -5.261 5.184 1.00 0.00 H new ATOM 0 HG23 THR A 35 15.194 -6.947 5.753 1.00 0.00 H new ATOM 586 N ILE A 36 11.808 -5.411 4.042 1.00 0.00 N ATOM 587 CA ILE A 36 11.117 -4.171 4.368 1.00 0.00 C ATOM 588 C ILE A 36 11.834 -3.418 5.483 1.00 0.00 C ATOM 589 O ILE A 36 12.173 -3.995 6.517 1.00 0.00 O ATOM 590 CB ILE A 36 9.660 -4.433 4.795 1.00 0.00 C ATOM 591 CG1 ILE A 36 8.900 -5.150 3.677 1.00 0.00 C ATOM 592 CG2 ILE A 36 8.971 -3.127 5.158 1.00 0.00 C ATOM 593 CD1 ILE A 36 7.603 -5.779 4.136 1.00 0.00 C ATOM 0 H ILE A 36 11.213 -6.239 4.047 1.00 0.00 H new ATOM 0 HA ILE A 36 11.118 -3.563 3.463 1.00 0.00 H new ATOM 0 HB ILE A 36 9.665 -5.075 5.676 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.687 -4.439 2.879 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.539 -5.924 3.252 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.943 -3.329 5.457 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.502 -2.652 5.983 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.973 -2.462 4.294 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.118 -6.269 3.292 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.810 -6.515 4.913 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.945 -5.007 4.534 1.00 0.00 H new ATOM 605 N HIS A 37 12.060 -2.126 5.268 1.00 0.00 N ATOM 606 CA HIS A 37 12.735 -1.293 6.257 1.00 0.00 C ATOM 607 C HIS A 37 11.802 -0.965 7.419 1.00 0.00 C ATOM 608 O HIS A 37 10.691 -0.476 7.216 1.00 0.00 O ATOM 609 CB HIS A 37 13.237 -0.002 5.610 1.00 0.00 C ATOM 610 CG HIS A 37 13.308 1.155 6.558 1.00 0.00 C ATOM 611 ND1 HIS A 37 14.479 1.562 7.162 1.00 0.00 N ATOM 612 CD2 HIS A 37 12.345 1.994 7.005 1.00 0.00 C ATOM 613 CE1 HIS A 37 14.233 2.600 7.941 1.00 0.00 C ATOM 614 NE2 HIS A 37 12.945 2.883 7.863 1.00 0.00 N ATOM 0 H HIS A 37 11.786 -1.633 4.418 1.00 0.00 H new ATOM 0 HA HIS A 37 13.587 -1.851 6.645 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.227 -0.177 5.189 1.00 0.00 H new ATOM 0 HB3 HIS A 37 12.580 0.258 4.781 1.00 0.00 H new ATOM 0 HD2 HIS A 37 11.299 1.969 6.737 1.00 0.00 H new ATOM 0 HE1 HIS A 37 14.961 3.127 8.540 1.00 0.00 H new ATOM 0 HE2 HIS A 37 12.473 3.639 8.359 1.00 0.00 H new ATOM 623 N ASP A 38 12.262 -1.238 8.635 1.00 0.00 N ATOM 624 CA ASP A 38 11.468 -0.971 9.829 1.00 0.00 C ATOM 625 C ASP A 38 10.190 -1.803 9.829 1.00 0.00 C ATOM 626 O ASP A 38 9.196 -1.432 10.452 1.00 0.00 O ATOM 627 CB ASP A 38 11.124 0.516 9.917 1.00 0.00 C ATOM 628 CG ASP A 38 12.357 1.391 10.030 1.00 0.00 C ATOM 629 OD1 ASP A 38 13.458 0.911 9.686 1.00 0.00 O ATOM 630 OD2 ASP A 38 12.222 2.555 10.460 1.00 0.00 O ATOM 0 H ASP A 38 13.179 -1.644 8.820 1.00 0.00 H new ATOM 0 HA ASP A 38 12.061 -1.250 10.700 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.555 0.807 9.034 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.481 0.686 10.780 1.00 0.00 H new ATOM 635 N GLY A 39 10.223 -2.930 9.124 1.00 0.00 N ATOM 636 CA GLY A 39 9.060 -3.796 9.055 1.00 0.00 C ATOM 637 C GLY A 39 7.758 -3.021 9.078 1.00 0.00 C ATOM 638 O GLY A 39 7.555 -2.108 8.277 1.00 0.00 O ATOM 0 H GLY A 39 11.034 -3.259 8.600 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.108 -4.392 8.144 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.079 -4.493 9.893 1.00 0.00 H new ATOM 642 N VAL A 40 6.871 -3.386 9.999 1.00 0.00 N ATOM 643 CA VAL A 40 5.580 -2.719 10.123 1.00 0.00 C ATOM 644 C VAL A 40 5.725 -1.209 9.970 1.00 0.00 C ATOM 645 O VAL A 40 4.852 -0.545 9.411 1.00 0.00 O ATOM 646 CB VAL A 40 4.919 -3.025 11.480 1.00 0.00 C ATOM 647 CG1 VAL A 40 4.580 -4.503 11.588 1.00 0.00 C ATOM 648 CG2 VAL A 40 5.825 -2.592 12.624 1.00 0.00 C ATOM 0 H VAL A 40 7.023 -4.139 10.670 1.00 0.00 H new ATOM 0 HA VAL A 40 4.947 -3.103 9.323 1.00 0.00 H new ATOM 0 HB VAL A 40 3.990 -2.458 11.548 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.114 -4.700 12.553 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.891 -4.777 10.790 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.492 -5.093 11.499 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.342 -2.816 13.575 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.771 -3.129 12.562 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.011 -1.520 12.555 1.00 0.00 H new ATOM 658 N ALA A 41 6.834 -0.672 10.469 1.00 0.00 N ATOM 659 CA ALA A 41 7.094 0.759 10.385 1.00 0.00 C ATOM 660 C ALA A 41 7.647 1.137 9.015 1.00 0.00 C ATOM 661 O ALA A 41 8.329 2.150 8.868 1.00 0.00 O ATOM 662 CB ALA A 41 8.060 1.185 11.481 1.00 0.00 C ATOM 0 H ALA A 41 7.566 -1.207 10.936 1.00 0.00 H new ATOM 0 HA ALA A 41 6.149 1.284 10.524 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.245 2.257 11.406 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.627 0.959 12.456 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.000 0.645 11.367 1.00 0.00 H new ATOM 668 N GLY A 42 7.348 0.315 8.014 1.00 0.00 N ATOM 669 CA GLY A 42 7.824 0.580 6.669 1.00 0.00 C ATOM 670 C GLY A 42 6.732 0.429 5.627 1.00 0.00 C ATOM 671 O GLY A 42 6.940 0.730 4.452 1.00 0.00 O ATOM 0 H GLY A 42 6.785 -0.530 8.110 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.229 1.591 6.623 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.642 -0.102 6.435 1.00 0.00 H new ATOM 675 N VAL A 43 5.566 -0.042 6.058 1.00 0.00 N ATOM 676 CA VAL A 43 4.438 -0.233 5.155 1.00 0.00 C ATOM 677 C VAL A 43 3.453 0.926 5.253 1.00 0.00 C ATOM 678 O VAL A 43 3.127 1.388 6.347 1.00 0.00 O ATOM 679 CB VAL A 43 3.697 -1.550 5.454 1.00 0.00 C ATOM 680 CG1 VAL A 43 2.525 -1.731 4.501 1.00 0.00 C ATOM 681 CG2 VAL A 43 4.652 -2.730 5.368 1.00 0.00 C ATOM 0 H VAL A 43 5.378 -0.298 7.027 1.00 0.00 H new ATOM 0 HA VAL A 43 4.845 -0.275 4.145 1.00 0.00 H new ATOM 0 HB VAL A 43 3.305 -1.504 6.470 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.013 -2.667 4.727 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.830 -0.900 4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.891 -1.757 3.475 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.111 -3.652 5.582 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.076 -2.783 4.365 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.454 -2.603 6.095 1.00 0.00 H new ATOM 691 N HIS A 44 2.980 1.392 4.101 1.00 0.00 N ATOM 692 CA HIS A 44 2.029 2.498 4.057 1.00 0.00 C ATOM 693 C HIS A 44 0.824 2.144 3.192 1.00 0.00 C ATOM 694 O HIS A 44 0.932 2.042 1.970 1.00 0.00 O ATOM 695 CB HIS A 44 2.706 3.759 3.518 1.00 0.00 C ATOM 696 CG HIS A 44 3.973 4.111 4.234 1.00 0.00 C ATOM 697 ND1 HIS A 44 4.034 5.057 5.235 1.00 0.00 N ATOM 698 CD2 HIS A 44 5.233 3.637 4.089 1.00 0.00 C ATOM 699 CE1 HIS A 44 5.276 5.150 5.675 1.00 0.00 C ATOM 700 NE2 HIS A 44 6.024 4.299 4.996 1.00 0.00 N ATOM 0 H HIS A 44 3.239 1.022 3.187 1.00 0.00 H new ATOM 0 HA HIS A 44 1.682 2.687 5.073 1.00 0.00 H new ATOM 0 HB2 HIS A 44 2.923 3.620 2.459 1.00 0.00 H new ATOM 0 HB3 HIS A 44 2.011 4.595 3.594 1.00 0.00 H new ATOM 0 HD2 HIS A 44 5.556 2.879 3.390 1.00 0.00 H new ATOM 0 HE1 HIS A 44 5.621 5.810 6.457 1.00 0.00 H new ATOM 0 HE2 HIS A 44 7.026 4.157 5.124 1.00 0.00 H new ATOM 709 N PHE A 45 -0.325 1.956 3.834 1.00 0.00 N ATOM 710 CA PHE A 45 -1.550 1.611 3.123 1.00 0.00 C ATOM 711 C PHE A 45 -2.207 2.857 2.535 1.00 0.00 C ATOM 712 O PHE A 45 -2.026 3.965 3.042 1.00 0.00 O ATOM 713 CB PHE A 45 -2.527 0.901 4.062 1.00 0.00 C ATOM 714 CG PHE A 45 -2.238 -0.563 4.233 1.00 0.00 C ATOM 715 CD1 PHE A 45 -2.738 -1.491 3.333 1.00 0.00 C ATOM 716 CD2 PHE A 45 -1.467 -1.011 5.294 1.00 0.00 C ATOM 717 CE1 PHE A 45 -2.473 -2.839 3.488 1.00 0.00 C ATOM 718 CE2 PHE A 45 -1.199 -2.357 5.452 1.00 0.00 C ATOM 719 CZ PHE A 45 -1.703 -3.272 4.549 1.00 0.00 C ATOM 0 H PHE A 45 -0.433 2.037 4.845 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.289 0.939 2.306 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.497 1.385 5.038 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.540 1.021 3.677 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.341 -1.157 2.502 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.072 -0.300 6.005 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.868 -3.553 2.780 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.595 -2.694 6.282 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.495 -4.325 4.672 1.00 0.00 H new ATOM 729 N ILE A 46 -2.969 2.667 1.463 1.00 0.00 N ATOM 730 CA ILE A 46 -3.652 3.774 0.806 1.00 0.00 C ATOM 731 C ILE A 46 -5.129 3.810 1.184 1.00 0.00 C ATOM 732 O ILE A 46 -5.869 2.858 0.932 1.00 0.00 O ATOM 733 CB ILE A 46 -3.528 3.683 -0.726 1.00 0.00 C ATOM 734 CG1 ILE A 46 -2.056 3.609 -1.137 1.00 0.00 C ATOM 735 CG2 ILE A 46 -4.208 4.874 -1.384 1.00 0.00 C ATOM 736 CD1 ILE A 46 -1.227 4.765 -0.624 1.00 0.00 C ATOM 0 H ILE A 46 -3.129 1.757 1.031 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.169 4.690 1.147 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.026 2.774 -1.063 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.631 2.676 -0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.992 3.581 -2.225 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.112 4.795 -2.467 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.264 4.885 -1.113 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.736 5.796 -1.044 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.195 4.647 -0.953 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.627 5.701 -1.014 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.261 4.782 0.465 1.00 0.00 H new ATOM 881 N GLY A 55 -7.278 0.140 -1.451 1.00 0.00 N ATOM 882 CA GLY A 55 -6.761 -1.111 -1.974 1.00 0.00 C ATOM 883 C GLY A 55 -5.263 -1.070 -2.201 1.00 0.00 C ATOM 884 O GLY A 55 -4.583 -2.089 -2.080 1.00 0.00 O ATOM 0 HA2 GLY A 55 -6.998 -1.917 -1.280 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.262 -1.343 -2.914 1.00 0.00 H new ATOM 888 N GLU A 56 -4.748 0.110 -2.531 1.00 0.00 N ATOM 889 CA GLU A 56 -3.321 0.278 -2.778 1.00 0.00 C ATOM 890 C GLU A 56 -2.556 0.429 -1.466 1.00 0.00 C ATOM 891 O GLU A 56 -3.105 0.888 -0.464 1.00 0.00 O ATOM 892 CB GLU A 56 -3.074 1.497 -3.668 1.00 0.00 C ATOM 893 CG GLU A 56 -3.517 1.299 -5.108 1.00 0.00 C ATOM 894 CD GLU A 56 -4.947 1.743 -5.345 1.00 0.00 C ATOM 895 OE1 GLU A 56 -5.242 2.937 -5.131 1.00 0.00 O ATOM 896 OE2 GLU A 56 -5.772 0.894 -5.744 1.00 0.00 O ATOM 0 H GLU A 56 -5.297 0.963 -2.633 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.960 -0.614 -3.289 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.601 2.355 -3.249 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.011 1.738 -3.654 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.853 1.857 -5.768 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.419 0.246 -5.373 1.00 0.00 H new ATOM 903 N ALA A 57 -1.286 0.039 -1.480 1.00 0.00 N ATOM 904 CA ALA A 57 -0.445 0.132 -0.293 1.00 0.00 C ATOM 905 C ALA A 57 1.033 0.053 -0.660 1.00 0.00 C ATOM 906 O ALA A 57 1.478 -0.911 -1.283 1.00 0.00 O ATOM 907 CB ALA A 57 -0.804 -0.967 0.696 1.00 0.00 C ATOM 0 H ALA A 57 -0.817 -0.344 -2.300 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.626 1.100 0.175 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.168 -0.885 1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.848 -0.864 0.991 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.653 -1.940 0.229 1.00 0.00 H new ATOM 913 N PHE A 58 1.790 1.074 -0.270 1.00 0.00 N ATOM 914 CA PHE A 58 3.218 1.121 -0.559 1.00 0.00 C ATOM 915 C PHE A 58 4.018 0.410 0.529 1.00 0.00 C ATOM 916 O PHE A 58 3.488 0.085 1.592 1.00 0.00 O ATOM 917 CB PHE A 58 3.687 2.572 -0.687 1.00 0.00 C ATOM 918 CG PHE A 58 3.148 3.271 -1.902 1.00 0.00 C ATOM 919 CD1 PHE A 58 1.789 3.508 -2.036 1.00 0.00 C ATOM 920 CD2 PHE A 58 4.000 3.692 -2.910 1.00 0.00 C ATOM 921 CE1 PHE A 58 1.291 4.151 -3.153 1.00 0.00 C ATOM 922 CE2 PHE A 58 3.507 4.335 -4.030 1.00 0.00 C ATOM 923 CZ PHE A 58 2.151 4.566 -4.151 1.00 0.00 C ATOM 0 H PHE A 58 1.438 1.880 0.247 1.00 0.00 H new ATOM 0 HA PHE A 58 3.388 0.607 -1.505 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.385 3.123 0.203 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.776 2.592 -0.720 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.112 3.186 -1.259 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.062 3.516 -2.820 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.230 4.329 -3.246 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.182 4.656 -4.810 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.764 5.070 -5.024 1.00 0.00 H new ATOM 933 N VAL A 59 5.297 0.172 0.256 1.00 0.00 N ATOM 934 CA VAL A 59 6.170 -0.499 1.211 1.00 0.00 C ATOM 935 C VAL A 59 7.626 -0.099 0.999 1.00 0.00 C ATOM 936 O VAL A 59 8.106 -0.045 -0.133 1.00 0.00 O ATOM 937 CB VAL A 59 6.049 -2.031 1.102 1.00 0.00 C ATOM 938 CG1 VAL A 59 7.019 -2.712 2.055 1.00 0.00 C ATOM 939 CG2 VAL A 59 4.619 -2.472 1.378 1.00 0.00 C ATOM 0 H VAL A 59 5.751 0.434 -0.619 1.00 0.00 H new ATOM 0 HA VAL A 59 5.851 -0.187 2.205 1.00 0.00 H new ATOM 0 HB VAL A 59 6.307 -2.328 0.086 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.919 -3.794 1.964 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.039 -2.419 1.806 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.795 -2.412 3.079 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.551 -3.557 1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.331 -2.164 2.383 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.950 -2.011 0.652 1.00 0.00 H new ATOM 949 N GLU A 60 8.323 0.180 2.096 1.00 0.00 N ATOM 950 CA GLU A 60 9.725 0.575 2.029 1.00 0.00 C ATOM 951 C GLU A 60 10.639 -0.643 2.132 1.00 0.00 C ATOM 952 O GLU A 60 10.389 -1.557 2.920 1.00 0.00 O ATOM 953 CB GLU A 60 10.052 1.568 3.147 1.00 0.00 C ATOM 954 CG GLU A 60 9.318 2.892 3.018 1.00 0.00 C ATOM 955 CD GLU A 60 9.675 3.866 4.124 1.00 0.00 C ATOM 956 OE1 GLU A 60 9.386 3.561 5.300 1.00 0.00 O ATOM 957 OE2 GLU A 60 10.243 4.934 3.813 1.00 0.00 O ATOM 0 H GLU A 60 7.940 0.140 3.041 1.00 0.00 H new ATOM 0 HA GLU A 60 9.895 1.055 1.065 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.803 1.116 4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.126 1.756 3.152 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.553 3.341 2.053 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.243 2.710 3.032 1.00 0.00 H new ATOM 964 N LEU A 61 11.700 -0.649 1.332 1.00 0.00 N ATOM 965 CA LEU A 61 12.652 -1.754 1.331 1.00 0.00 C ATOM 966 C LEU A 61 13.995 -1.315 1.906 1.00 0.00 C ATOM 967 O LEU A 61 14.189 -0.144 2.230 1.00 0.00 O ATOM 968 CB LEU A 61 12.842 -2.289 -0.089 1.00 0.00 C ATOM 969 CG LEU A 61 11.567 -2.688 -0.832 1.00 0.00 C ATOM 970 CD1 LEU A 61 11.862 -2.941 -2.302 1.00 0.00 C ATOM 971 CD2 LEU A 61 10.940 -3.919 -0.193 1.00 0.00 C ATOM 0 H LEU A 61 11.922 0.099 0.676 1.00 0.00 H new ATOM 0 HA LEU A 61 12.250 -2.548 1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.358 -1.529 -0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.499 -3.157 -0.044 1.00 0.00 H new ATOM 0 HG LEU A 61 10.856 -1.864 -0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.942 -3.224 -2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 61 12.265 -2.034 -2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.591 -3.746 -2.393 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.034 -4.189 -0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.646 -4.749 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.691 -3.703 0.846 1.00 0.00 H new ATOM 983 N GLU A 62 14.919 -2.263 2.026 1.00 0.00 N ATOM 984 CA GLU A 62 16.245 -1.973 2.560 1.00 0.00 C ATOM 985 C GLU A 62 17.203 -1.564 1.445 1.00 0.00 C ATOM 986 O GLU A 62 17.802 -0.490 1.490 1.00 0.00 O ATOM 987 CB GLU A 62 16.798 -3.192 3.302 1.00 0.00 C ATOM 988 CG GLU A 62 18.168 -2.960 3.917 1.00 0.00 C ATOM 989 CD GLU A 62 18.997 -4.227 3.990 1.00 0.00 C ATOM 990 OE1 GLU A 62 19.656 -4.565 2.984 1.00 0.00 O ATOM 991 OE2 GLU A 62 18.988 -4.881 5.054 1.00 0.00 O ATOM 0 H GLU A 62 14.774 -3.237 1.761 1.00 0.00 H new ATOM 0 HA GLU A 62 16.153 -1.142 3.259 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.099 -3.476 4.089 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.857 -4.032 2.610 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.703 -2.213 3.331 1.00 0.00 H new ATOM 0 HG3 GLU A 62 18.047 -2.551 4.920 1.00 0.00 H new ATOM 998 N SER A 63 17.343 -2.429 0.446 1.00 0.00 N ATOM 999 CA SER A 63 18.231 -2.161 -0.679 1.00 0.00 C ATOM 1000 C SER A 63 17.523 -2.424 -2.005 1.00 0.00 C ATOM 1001 O SER A 63 16.337 -2.751 -2.033 1.00 0.00 O ATOM 1002 CB SER A 63 19.490 -3.025 -0.579 1.00 0.00 C ATOM 1003 OG SER A 63 20.086 -2.911 0.701 1.00 0.00 O ATOM 0 H SER A 63 16.853 -3.322 0.393 1.00 0.00 H new ATOM 0 HA SER A 63 18.517 -1.110 -0.642 1.00 0.00 H new ATOM 0 HB2 SER A 63 19.236 -4.067 -0.774 1.00 0.00 H new ATOM 0 HB3 SER A 63 20.204 -2.722 -1.345 1.00 0.00 H new ATOM 0 HG SER A 63 19.756 -3.629 1.281 1.00 0.00 H new ATOM 1009 N GLU A 64 18.261 -2.280 -3.101 1.00 0.00 N ATOM 1010 CA GLU A 64 17.704 -2.501 -4.430 1.00 0.00 C ATOM 1011 C GLU A 64 17.199 -3.933 -4.577 1.00 0.00 C ATOM 1012 O GLU A 64 16.032 -4.162 -4.896 1.00 0.00 O ATOM 1013 CB GLU A 64 18.755 -2.207 -5.503 1.00 0.00 C ATOM 1014 CG GLU A 64 18.188 -2.155 -6.912 1.00 0.00 C ATOM 1015 CD GLU A 64 19.150 -1.534 -7.906 1.00 0.00 C ATOM 1016 OE1 GLU A 64 19.711 -0.462 -7.596 1.00 0.00 O ATOM 1017 OE2 GLU A 64 19.342 -2.119 -8.992 1.00 0.00 O ATOM 0 H GLU A 64 19.245 -2.012 -3.095 1.00 0.00 H new ATOM 0 HA GLU A 64 16.862 -1.822 -4.560 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.235 -1.255 -5.278 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.530 -2.972 -5.460 1.00 0.00 H new ATOM 0 HG2 GLU A 64 17.938 -3.165 -7.236 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.260 -1.584 -6.905 1.00 0.00 H new ATOM 1024 N ASP A 65 18.086 -4.894 -4.342 1.00 0.00 N ATOM 1025 CA ASP A 65 17.731 -6.305 -4.447 1.00 0.00 C ATOM 1026 C ASP A 65 16.284 -6.534 -4.021 1.00 0.00 C ATOM 1027 O ASP A 65 15.556 -7.302 -4.650 1.00 0.00 O ATOM 1028 CB ASP A 65 18.670 -7.154 -3.589 1.00 0.00 C ATOM 1029 CG ASP A 65 18.619 -8.624 -3.957 1.00 0.00 C ATOM 1030 OD1 ASP A 65 19.101 -8.978 -5.054 1.00 0.00 O ATOM 1031 OD2 ASP A 65 18.099 -9.420 -3.148 1.00 0.00 O ATOM 0 H ASP A 65 19.056 -4.722 -4.078 1.00 0.00 H new ATOM 0 HA ASP A 65 17.835 -6.605 -5.490 1.00 0.00 H new ATOM 0 HB2 ASP A 65 19.691 -6.789 -3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.404 -7.036 -2.539 1.00 0.00 H new ATOM 1036 N ASP A 66 15.876 -5.865 -2.949 1.00 0.00 N ATOM 1037 CA ASP A 66 14.516 -5.996 -2.438 1.00 0.00 C ATOM 1038 C ASP A 66 13.494 -5.659 -3.519 1.00 0.00 C ATOM 1039 O ASP A 66 12.544 -6.409 -3.744 1.00 0.00 O ATOM 1040 CB ASP A 66 14.314 -5.084 -1.226 1.00 0.00 C ATOM 1041 CG ASP A 66 15.189 -5.478 -0.053 1.00 0.00 C ATOM 1042 OD1 ASP A 66 15.585 -6.660 0.022 1.00 0.00 O ATOM 1043 OD2 ASP A 66 15.480 -4.603 0.790 1.00 0.00 O ATOM 0 H ASP A 66 16.467 -5.226 -2.417 1.00 0.00 H new ATOM 0 HA ASP A 66 14.367 -7.032 -2.133 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.533 -4.054 -1.509 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.268 -5.115 -0.922 1.00 0.00 H new ATOM 1048 N VAL A 67 13.696 -4.527 -4.186 1.00 0.00 N ATOM 1049 CA VAL A 67 12.793 -4.091 -5.244 1.00 0.00 C ATOM 1050 C VAL A 67 12.610 -5.181 -6.294 1.00 0.00 C ATOM 1051 O VAL A 67 11.488 -5.591 -6.591 1.00 0.00 O ATOM 1052 CB VAL A 67 13.309 -2.813 -5.931 1.00 0.00 C ATOM 1053 CG1 VAL A 67 12.271 -2.274 -6.904 1.00 0.00 C ATOM 1054 CG2 VAL A 67 13.676 -1.762 -4.894 1.00 0.00 C ATOM 0 H VAL A 67 14.478 -3.895 -4.012 1.00 0.00 H new ATOM 0 HA VAL A 67 11.833 -3.879 -4.773 1.00 0.00 H new ATOM 0 HB VAL A 67 14.207 -3.062 -6.496 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.653 -1.371 -7.380 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.062 -3.025 -7.666 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.354 -2.039 -6.364 1.00 0.00 H new ATOM 0 HG21 VAL A 67 14.039 -0.866 -5.397 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.796 -1.514 -4.300 1.00 0.00 H new ATOM 0 HG23 VAL A 67 14.456 -2.152 -4.241 1.00 0.00 H new ATOM 1064 N LYS A 68 13.721 -5.648 -6.854 1.00 0.00 N ATOM 1065 CA LYS A 68 13.686 -6.692 -7.871 1.00 0.00 C ATOM 1066 C LYS A 68 12.864 -7.886 -7.396 1.00 0.00 C ATOM 1067 O LYS A 68 12.030 -8.412 -8.135 1.00 0.00 O ATOM 1068 CB LYS A 68 15.106 -7.143 -8.218 1.00 0.00 C ATOM 1069 CG LYS A 68 16.013 -6.009 -8.663 1.00 0.00 C ATOM 1070 CD LYS A 68 17.452 -6.472 -8.816 1.00 0.00 C ATOM 1071 CE LYS A 68 18.434 -5.346 -8.532 1.00 0.00 C ATOM 1072 NZ LYS A 68 19.833 -5.733 -8.863 1.00 0.00 N ATOM 0 H LYS A 68 14.658 -5.319 -6.620 1.00 0.00 H new ATOM 0 HA LYS A 68 13.214 -6.280 -8.763 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.547 -7.629 -7.348 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.057 -7.890 -9.010 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.656 -5.608 -9.612 1.00 0.00 H new ATOM 0 HG3 LYS A 68 15.966 -5.198 -7.936 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.642 -7.302 -8.136 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.609 -6.846 -9.828 1.00 0.00 H new ATOM 0 HE2 LYS A 68 18.154 -4.466 -9.111 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.373 -5.068 -7.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 20.471 -4.939 -8.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 20.109 -6.557 -8.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.897 -5.974 -9.873 1.00 0.00 H new ATOM 1086 N LEU A 69 13.102 -8.308 -6.159 1.00 0.00 N ATOM 1087 CA LEU A 69 12.382 -9.440 -5.585 1.00 0.00 C ATOM 1088 C LEU A 69 10.893 -9.132 -5.462 1.00 0.00 C ATOM 1089 O LEU A 69 10.049 -9.934 -5.858 1.00 0.00 O ATOM 1090 CB LEU A 69 12.957 -9.791 -4.212 1.00 0.00 C ATOM 1091 CG LEU A 69 14.444 -10.148 -4.178 1.00 0.00 C ATOM 1092 CD1 LEU A 69 14.971 -10.105 -2.752 1.00 0.00 C ATOM 1093 CD2 LEU A 69 14.677 -11.520 -4.794 1.00 0.00 C ATOM 0 H LEU A 69 13.788 -7.884 -5.534 1.00 0.00 H new ATOM 0 HA LEU A 69 12.504 -10.293 -6.252 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.791 -8.946 -3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.393 -10.632 -3.808 1.00 0.00 H new ATOM 0 HG LEU A 69 14.989 -9.410 -4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.030 -10.362 -2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.839 -9.102 -2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.422 -10.820 -2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 69 15.740 -11.758 -4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.120 -12.270 -4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.338 -11.516 -5.830 1.00 0.00 H new ATOM 1105 N ALA A 70 10.579 -7.964 -4.911 1.00 0.00 N ATOM 1106 CA ALA A 70 9.193 -7.548 -4.740 1.00 0.00 C ATOM 1107 C ALA A 70 8.426 -7.639 -6.055 1.00 0.00 C ATOM 1108 O ALA A 70 7.292 -8.117 -6.092 1.00 0.00 O ATOM 1109 CB ALA A 70 9.131 -6.132 -4.187 1.00 0.00 C ATOM 0 H ALA A 70 11.266 -7.289 -4.575 1.00 0.00 H new ATOM 0 HA ALA A 70 8.722 -8.225 -4.028 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.090 -5.835 -4.064 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.635 -6.096 -3.221 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.624 -5.449 -4.879 1.00 0.00 H new ATOM 1115 N LEU A 71 9.051 -7.176 -7.132 1.00 0.00 N ATOM 1116 CA LEU A 71 8.427 -7.204 -8.450 1.00 0.00 C ATOM 1117 C LEU A 71 8.101 -8.635 -8.868 1.00 0.00 C ATOM 1118 O LEU A 71 7.214 -8.866 -9.689 1.00 0.00 O ATOM 1119 CB LEU A 71 9.347 -6.556 -9.486 1.00 0.00 C ATOM 1120 CG LEU A 71 9.596 -5.057 -9.318 1.00 0.00 C ATOM 1121 CD1 LEU A 71 10.736 -4.601 -10.215 1.00 0.00 C ATOM 1122 CD2 LEU A 71 8.329 -4.269 -9.620 1.00 0.00 C ATOM 0 H LEU A 71 9.989 -6.777 -7.118 1.00 0.00 H new ATOM 0 HA LEU A 71 7.496 -6.639 -8.396 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.308 -7.069 -9.460 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.922 -6.725 -10.476 1.00 0.00 H new ATOM 0 HG LEU A 71 9.879 -4.869 -8.282 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.898 -3.531 -10.082 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.645 -5.142 -9.951 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.483 -4.802 -11.256 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.525 -3.204 -9.495 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.016 -4.463 -10.646 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.538 -4.575 -8.935 1.00 0.00 H new ATOM 1134 N LYS A 72 8.822 -9.592 -8.294 1.00 0.00 N ATOM 1135 CA LYS A 72 8.608 -11.001 -8.603 1.00 0.00 C ATOM 1136 C LYS A 72 7.276 -11.485 -8.040 1.00 0.00 C ATOM 1137 O LYS A 72 6.746 -12.512 -8.466 1.00 0.00 O ATOM 1138 CB LYS A 72 9.751 -11.847 -8.037 1.00 0.00 C ATOM 1139 CG LYS A 72 11.127 -11.391 -8.489 1.00 0.00 C ATOM 1140 CD LYS A 72 12.174 -12.468 -8.261 1.00 0.00 C ATOM 1141 CE LYS A 72 13.579 -11.943 -8.514 1.00 0.00 C ATOM 1142 NZ LYS A 72 13.860 -11.791 -9.968 1.00 0.00 N ATOM 0 H LYS A 72 9.560 -9.418 -7.612 1.00 0.00 H new ATOM 0 HA LYS A 72 8.585 -11.111 -9.687 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.708 -11.819 -6.948 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.605 -12.885 -8.335 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.096 -11.131 -9.547 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.408 -10.488 -7.947 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.101 -12.837 -7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.977 -13.314 -8.920 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.702 -10.980 -8.018 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.306 -12.624 -8.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.827 -11.431 -10.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.768 -12.714 -10.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.182 -11.121 -10.384 1.00 0.00 H new ATOM 1156 N LYS A 73 6.737 -10.738 -7.082 1.00 0.00 N ATOM 1157 CA LYS A 73 5.465 -11.089 -6.462 1.00 0.00 C ATOM 1158 C LYS A 73 4.298 -10.483 -7.235 1.00 0.00 C ATOM 1159 O LYS A 73 3.196 -10.343 -6.704 1.00 0.00 O ATOM 1160 CB LYS A 73 5.432 -10.610 -5.009 1.00 0.00 C ATOM 1161 CG LYS A 73 6.775 -10.710 -4.306 1.00 0.00 C ATOM 1162 CD LYS A 73 7.114 -12.149 -3.955 1.00 0.00 C ATOM 1163 CE LYS A 73 6.329 -12.628 -2.744 1.00 0.00 C ATOM 1164 NZ LYS A 73 6.152 -14.107 -2.746 1.00 0.00 N ATOM 0 H LYS A 73 7.162 -9.885 -6.718 1.00 0.00 H new ATOM 0 HA LYS A 73 5.367 -12.174 -6.482 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.094 -9.574 -4.984 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.698 -11.198 -4.458 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.554 -10.298 -4.947 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.757 -10.107 -3.398 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.898 -12.793 -4.808 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.182 -12.234 -3.754 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.846 -12.326 -1.833 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.352 -12.145 -2.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.612 -14.393 -1.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.636 -14.394 -3.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.084 -14.568 -2.733 1.00 0.00 H new ATOM 1178 N ASP A 74 4.547 -10.126 -8.490 1.00 0.00 N ATOM 1179 CA ASP A 74 3.516 -9.536 -9.336 1.00 0.00 C ATOM 1180 C ASP A 74 2.391 -10.534 -9.596 1.00 0.00 C ATOM 1181 O ASP A 74 2.565 -11.740 -9.423 1.00 0.00 O ATOM 1182 CB ASP A 74 4.119 -9.072 -10.663 1.00 0.00 C ATOM 1183 CG ASP A 74 4.575 -10.230 -11.528 1.00 0.00 C ATOM 1184 OD1 ASP A 74 4.102 -11.363 -11.301 1.00 0.00 O ATOM 1185 OD2 ASP A 74 5.406 -10.004 -12.433 1.00 0.00 O ATOM 0 H ASP A 74 5.454 -10.235 -8.944 1.00 0.00 H new ATOM 0 HA ASP A 74 3.101 -8.674 -8.814 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.381 -8.484 -11.208 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.966 -8.415 -10.464 1.00 0.00 H new ATOM 1190 N ARG A 75 1.237 -10.021 -10.012 1.00 0.00 N ATOM 1191 CA ARG A 75 0.083 -10.866 -10.293 1.00 0.00 C ATOM 1192 C ARG A 75 0.080 -12.099 -9.394 1.00 0.00 C ATOM 1193 O ARG A 75 -0.254 -13.199 -9.835 1.00 0.00 O ATOM 1194 CB ARG A 75 0.082 -11.293 -11.762 1.00 0.00 C ATOM 1195 CG ARG A 75 1.074 -12.401 -12.075 1.00 0.00 C ATOM 1196 CD ARG A 75 1.504 -12.368 -13.533 1.00 0.00 C ATOM 1197 NE ARG A 75 2.687 -11.536 -13.737 1.00 0.00 N ATOM 1198 CZ ARG A 75 2.990 -10.960 -14.895 1.00 0.00 C ATOM 1199 NH1 ARG A 75 2.201 -11.126 -15.948 1.00 0.00 N ATOM 1200 NH2 ARG A 75 4.084 -10.217 -15.002 1.00 0.00 N ATOM 0 H ARG A 75 1.077 -9.025 -10.162 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.818 -10.287 -10.089 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.920 -11.626 -12.034 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.310 -10.427 -12.383 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.950 -12.299 -11.434 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.625 -13.368 -11.849 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.712 -13.383 -13.873 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.685 -11.989 -14.144 1.00 0.00 H new ATOM 0 HE ARG A 75 3.315 -11.389 -12.947 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.359 -11.697 -15.870 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.436 -10.683 -16.836 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.694 -10.088 -14.194 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.315 -9.775 -15.892 1.00 0.00 H new ATOM 1214 N GLU A 76 0.456 -11.907 -8.133 1.00 0.00 N ATOM 1215 CA GLU A 76 0.497 -13.005 -7.174 1.00 0.00 C ATOM 1216 C GLU A 76 -0.871 -13.220 -6.534 1.00 0.00 C ATOM 1217 O GLU A 76 -1.849 -12.568 -6.900 1.00 0.00 O ATOM 1218 CB GLU A 76 1.541 -12.725 -6.091 1.00 0.00 C ATOM 1219 CG GLU A 76 2.925 -13.254 -6.428 1.00 0.00 C ATOM 1220 CD GLU A 76 2.973 -14.768 -6.488 1.00 0.00 C ATOM 1221 OE1 GLU A 76 2.778 -15.411 -5.436 1.00 0.00 O ATOM 1222 OE2 GLU A 76 3.205 -15.310 -7.589 1.00 0.00 O ATOM 0 H GLU A 76 0.736 -11.003 -7.752 1.00 0.00 H new ATOM 0 HA GLU A 76 0.774 -13.913 -7.710 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.603 -11.649 -5.927 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.209 -13.172 -5.154 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.242 -12.846 -7.388 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.636 -12.901 -5.681 1.00 0.00 H new ATOM 1229 N SER A 77 -0.932 -14.141 -5.577 1.00 0.00 N ATOM 1230 CA SER A 77 -2.180 -14.446 -4.888 1.00 0.00 C ATOM 1231 C SER A 77 -2.006 -14.343 -3.376 1.00 0.00 C ATOM 1232 O SER A 77 -1.336 -15.171 -2.759 1.00 0.00 O ATOM 1233 CB SER A 77 -2.663 -15.849 -5.262 1.00 0.00 C ATOM 1234 OG SER A 77 -1.692 -16.827 -4.934 1.00 0.00 O ATOM 0 H SER A 77 -0.131 -14.689 -5.262 1.00 0.00 H new ATOM 0 HA SER A 77 -2.927 -13.716 -5.201 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.595 -16.067 -4.740 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.879 -15.890 -6.330 1.00 0.00 H new ATOM 0 HG SER A 77 -1.243 -16.575 -4.100 1.00 0.00 H new ATOM 1240 N MET A 78 -2.614 -13.319 -2.786 1.00 0.00 N ATOM 1241 CA MET A 78 -2.528 -13.107 -1.345 1.00 0.00 C ATOM 1242 C MET A 78 -3.832 -13.498 -0.659 1.00 0.00 C ATOM 1243 O MET A 78 -4.848 -12.818 -0.802 1.00 0.00 O ATOM 1244 CB MET A 78 -2.197 -11.644 -1.043 1.00 0.00 C ATOM 1245 CG MET A 78 -2.353 -11.277 0.424 1.00 0.00 C ATOM 1246 SD MET A 78 -2.513 -9.499 0.682 1.00 0.00 S ATOM 1247 CE MET A 78 -0.807 -8.979 0.519 1.00 0.00 C ATOM 0 H MET A 78 -3.171 -12.624 -3.282 1.00 0.00 H new ATOM 0 HA MET A 78 -1.731 -13.740 -0.956 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.172 -11.440 -1.353 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.845 -11.002 -1.641 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.231 -11.779 0.829 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.491 -11.645 0.980 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.758 -7.890 0.511 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.228 -9.363 1.359 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.396 -9.367 -0.413 1.00 0.00 H new ATOM 1257 N GLY A 79 -3.797 -14.598 0.087 1.00 0.00 N ATOM 1258 CA GLY A 79 -4.984 -15.060 0.783 1.00 0.00 C ATOM 1259 C GLY A 79 -6.041 -15.594 -0.163 1.00 0.00 C ATOM 1260 O GLY A 79 -5.968 -16.741 -0.605 1.00 0.00 O ATOM 0 H GLY A 79 -2.968 -15.177 0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.706 -15.842 1.490 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.403 -14.239 1.364 1.00 0.00 H new ATOM 1264 N HIS A 80 -7.029 -14.760 -0.474 1.00 0.00 N ATOM 1265 CA HIS A 80 -8.107 -15.155 -1.374 1.00 0.00 C ATOM 1266 C HIS A 80 -8.251 -14.158 -2.519 1.00 0.00 C ATOM 1267 O HIS A 80 -9.268 -14.137 -3.213 1.00 0.00 O ATOM 1268 CB HIS A 80 -9.426 -15.263 -0.607 1.00 0.00 C ATOM 1269 CG HIS A 80 -9.882 -13.965 -0.016 1.00 0.00 C ATOM 1270 ND1 HIS A 80 -9.357 -12.720 -0.099 1.00 0.00 N flip ATOM 1271 CD2 HIS A 80 -11.009 -13.852 0.772 1.00 0.00 C flip ATOM 1272 CE1 HIS A 80 -10.168 -11.886 0.631 1.00 0.00 C flip ATOM 1273 NE2 HIS A 80 -11.157 -12.593 1.146 1.00 0.00 N flip ATOM 0 H HIS A 80 -7.105 -13.808 -0.116 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.858 -16.130 -1.794 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -10.198 -15.638 -1.279 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.314 -15.997 0.191 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -11.667 -14.665 1.041 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -10.021 -10.824 0.762 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -11.908 -12.229 1.733 1.00 0.00 H new ATOM 1282 N ARG A 81 -7.228 -13.333 -2.711 1.00 0.00 N ATOM 1283 CA ARG A 81 -7.242 -12.332 -3.771 1.00 0.00 C ATOM 1284 C ARG A 81 -5.874 -12.229 -4.440 1.00 0.00 C ATOM 1285 O ARG A 81 -4.895 -12.805 -3.966 1.00 0.00 O ATOM 1286 CB ARG A 81 -7.650 -10.969 -3.210 1.00 0.00 C ATOM 1287 CG ARG A 81 -9.148 -10.821 -2.998 1.00 0.00 C ATOM 1288 CD ARG A 81 -9.546 -9.363 -2.830 1.00 0.00 C ATOM 1289 NE ARG A 81 -10.906 -9.110 -3.298 1.00 0.00 N ATOM 1290 CZ ARG A 81 -11.277 -9.213 -4.569 1.00 0.00 C ATOM 1291 NH1 ARG A 81 -10.394 -9.564 -5.494 1.00 0.00 N ATOM 1292 NH2 ARG A 81 -12.533 -8.966 -4.917 1.00 0.00 N ATOM 0 H ARG A 81 -6.378 -13.338 -2.146 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.971 -12.643 -4.519 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.140 -10.809 -2.260 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.309 -10.189 -3.890 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.681 -11.249 -3.847 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.449 -11.385 -2.115 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -9.466 -9.084 -1.779 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.849 -8.731 -3.381 1.00 0.00 H new ATOM 0 HE ARG A 81 -11.610 -8.839 -2.611 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.428 -9.756 -5.230 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -10.681 -9.642 -6.470 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -13.215 -8.697 -4.208 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -12.817 -9.045 -5.894 1.00 0.00 H new ATOM 1306 N TYR A 82 -5.815 -11.494 -5.545 1.00 0.00 N ATOM 1307 CA TYR A 82 -4.569 -11.318 -6.281 1.00 0.00 C ATOM 1308 C TYR A 82 -3.909 -9.989 -5.925 1.00 0.00 C ATOM 1309 O TYR A 82 -4.586 -9.019 -5.586 1.00 0.00 O ATOM 1310 CB TYR A 82 -4.828 -11.385 -7.787 1.00 0.00 C ATOM 1311 CG TYR A 82 -4.673 -12.773 -8.367 1.00 0.00 C ATOM 1312 CD1 TYR A 82 -5.623 -13.758 -8.126 1.00 0.00 C ATOM 1313 CD2 TYR A 82 -3.577 -13.099 -9.157 1.00 0.00 C ATOM 1314 CE1 TYR A 82 -5.485 -15.027 -8.653 1.00 0.00 C ATOM 1315 CE2 TYR A 82 -3.432 -14.365 -9.689 1.00 0.00 C ATOM 1316 CZ TYR A 82 -4.388 -15.326 -9.434 1.00 0.00 C ATOM 1317 OH TYR A 82 -4.248 -16.589 -9.962 1.00 0.00 O ATOM 0 H TYR A 82 -6.616 -11.010 -5.951 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.893 -12.125 -5.999 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.837 -11.026 -7.990 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.141 -10.709 -8.296 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.484 -13.527 -7.516 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -2.826 -12.349 -9.358 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.232 -15.781 -8.455 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -2.575 -14.601 -10.302 1.00 0.00 H new ATOM 0 HH TYR A 82 -3.422 -16.634 -10.488 1.00 0.00 H new ATOM 1327 N ILE A 83 -2.583 -9.954 -6.007 1.00 0.00 N ATOM 1328 CA ILE A 83 -1.831 -8.745 -5.696 1.00 0.00 C ATOM 1329 C ILE A 83 -0.947 -8.331 -6.868 1.00 0.00 C ATOM 1330 O ILE A 83 -0.209 -9.146 -7.419 1.00 0.00 O ATOM 1331 CB ILE A 83 -0.951 -8.935 -4.447 1.00 0.00 C ATOM 1332 CG1 ILE A 83 -1.752 -9.605 -3.329 1.00 0.00 C ATOM 1333 CG2 ILE A 83 -0.397 -7.597 -3.981 1.00 0.00 C ATOM 1334 CD1 ILE A 83 -3.030 -8.874 -2.980 1.00 0.00 C ATOM 0 H ILE A 83 -2.008 -10.749 -6.286 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.562 -7.961 -5.500 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.113 -9.582 -4.706 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.996 -10.624 -3.628 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.128 -9.675 -2.438 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.223 -7.748 -3.097 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.205 -7.156 -4.776 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.221 -6.927 -3.736 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.546 -9.405 -2.180 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.792 -7.863 -2.650 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.674 -8.827 -3.858 1.00 0.00 H new ATOM 1346 N GLU A 84 -1.028 -7.058 -7.242 1.00 0.00 N ATOM 1347 CA GLU A 84 -0.235 -6.535 -8.349 1.00 0.00 C ATOM 1348 C GLU A 84 0.846 -5.585 -7.841 1.00 0.00 C ATOM 1349 O GLU A 84 0.550 -4.497 -7.346 1.00 0.00 O ATOM 1350 CB GLU A 84 -1.134 -5.813 -9.354 1.00 0.00 C ATOM 1351 CG GLU A 84 -2.060 -6.742 -10.120 1.00 0.00 C ATOM 1352 CD GLU A 84 -2.942 -6.003 -11.107 1.00 0.00 C ATOM 1353 OE1 GLU A 84 -2.500 -4.960 -11.632 1.00 0.00 O ATOM 1354 OE2 GLU A 84 -4.075 -6.467 -11.355 1.00 0.00 O ATOM 0 H GLU A 84 -1.634 -6.370 -6.795 1.00 0.00 H new ATOM 0 HA GLU A 84 0.249 -7.376 -8.846 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.733 -5.072 -8.825 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.509 -5.271 -10.064 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.465 -7.483 -10.654 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.688 -7.286 -9.414 1.00 0.00 H new ATOM 1361 N VAL A 85 2.101 -6.004 -7.969 1.00 0.00 N ATOM 1362 CA VAL A 85 3.227 -5.191 -7.524 1.00 0.00 C ATOM 1363 C VAL A 85 3.564 -4.112 -8.548 1.00 0.00 C ATOM 1364 O VAL A 85 3.412 -4.315 -9.753 1.00 0.00 O ATOM 1365 CB VAL A 85 4.478 -6.054 -7.274 1.00 0.00 C ATOM 1366 CG1 VAL A 85 5.616 -5.201 -6.735 1.00 0.00 C ATOM 1367 CG2 VAL A 85 4.157 -7.193 -6.319 1.00 0.00 C ATOM 0 H VAL A 85 2.364 -6.901 -8.377 1.00 0.00 H new ATOM 0 HA VAL A 85 2.927 -4.719 -6.588 1.00 0.00 H new ATOM 0 HB VAL A 85 4.796 -6.485 -8.223 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.491 -5.828 -6.564 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.862 -4.423 -7.458 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.312 -4.740 -5.796 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.052 -7.792 -6.154 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.813 -6.785 -5.369 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.375 -7.819 -6.749 1.00 0.00 H new ATOM 1377 N PHE A 86 4.022 -2.964 -8.060 1.00 0.00 N ATOM 1378 CA PHE A 86 4.380 -1.852 -8.932 1.00 0.00 C ATOM 1379 C PHE A 86 5.655 -1.168 -8.446 1.00 0.00 C ATOM 1380 O PHE A 86 5.761 -0.781 -7.283 1.00 0.00 O ATOM 1381 CB PHE A 86 3.237 -0.837 -8.995 1.00 0.00 C ATOM 1382 CG PHE A 86 2.032 -1.337 -9.740 1.00 0.00 C ATOM 1383 CD1 PHE A 86 2.125 -1.691 -11.077 1.00 0.00 C ATOM 1384 CD2 PHE A 86 0.807 -1.452 -9.104 1.00 0.00 C ATOM 1385 CE1 PHE A 86 1.019 -2.151 -11.765 1.00 0.00 C ATOM 1386 CE2 PHE A 86 -0.303 -1.912 -9.787 1.00 0.00 C ATOM 1387 CZ PHE A 86 -0.197 -2.261 -11.120 1.00 0.00 C ATOM 0 H PHE A 86 4.154 -2.780 -7.066 1.00 0.00 H new ATOM 0 HA PHE A 86 4.560 -2.250 -9.931 1.00 0.00 H new ATOM 0 HB2 PHE A 86 2.942 -0.570 -7.980 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.597 0.075 -9.472 1.00 0.00 H new ATOM 0 HD1 PHE A 86 3.073 -1.606 -11.587 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.718 -1.179 -8.063 1.00 0.00 H new ATOM 0 HE1 PHE A 86 1.105 -2.424 -12.806 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.252 -1.999 -9.279 1.00 0.00 H new ATOM 0 HZ PHE A 86 -1.063 -2.619 -11.656 1.00 0.00 H new ATOM 1397 N LYS A 87 6.622 -1.025 -9.346 1.00 0.00 N ATOM 1398 CA LYS A 87 7.891 -0.389 -9.013 1.00 0.00 C ATOM 1399 C LYS A 87 7.710 1.113 -8.811 1.00 0.00 C ATOM 1400 O LYS A 87 7.360 1.836 -9.743 1.00 0.00 O ATOM 1401 CB LYS A 87 8.920 -0.645 -10.116 1.00 0.00 C ATOM 1402 CG LYS A 87 10.355 -0.650 -9.620 1.00 0.00 C ATOM 1403 CD LYS A 87 10.792 0.732 -9.163 1.00 0.00 C ATOM 1404 CE LYS A 87 12.147 0.689 -8.474 1.00 0.00 C ATOM 1405 NZ LYS A 87 12.830 2.011 -8.510 1.00 0.00 N ATOM 0 H LYS A 87 6.551 -1.342 -10.313 1.00 0.00 H new ATOM 0 HA LYS A 87 8.252 -0.823 -8.081 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.704 -1.604 -10.587 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.813 0.120 -10.885 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.453 -1.355 -8.795 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.015 -0.997 -10.415 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.840 1.402 -10.022 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.048 1.143 -8.480 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.018 0.375 -7.438 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.777 -0.058 -8.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.750 1.940 -8.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.976 2.299 -9.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.241 2.719 -8.027 1.00 0.00 H new ATOM 1419 N SER A 88 7.952 1.574 -7.588 1.00 0.00 N ATOM 1420 CA SER A 88 7.813 2.989 -7.264 1.00 0.00 C ATOM 1421 C SER A 88 8.913 3.437 -6.306 1.00 0.00 C ATOM 1422 O SER A 88 9.561 2.615 -5.658 1.00 0.00 O ATOM 1423 CB SER A 88 6.441 3.261 -6.646 1.00 0.00 C ATOM 1424 OG SER A 88 5.980 4.559 -6.976 1.00 0.00 O ATOM 0 H SER A 88 8.245 0.989 -6.806 1.00 0.00 H new ATOM 0 HA SER A 88 7.906 3.559 -8.189 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.726 2.518 -6.999 1.00 0.00 H new ATOM 0 HB3 SER A 88 6.500 3.157 -5.563 1.00 0.00 H new ATOM 0 HG SER A 88 5.018 4.527 -7.162 1.00 0.00 H new ATOM 1430 N HIS A 89 9.118 4.748 -6.221 1.00 0.00 N ATOM 1431 CA HIS A 89 10.138 5.307 -5.342 1.00 0.00 C ATOM 1432 C HIS A 89 9.520 5.804 -4.039 1.00 0.00 C ATOM 1433 O HIS A 89 8.328 5.614 -3.794 1.00 0.00 O ATOM 1434 CB HIS A 89 10.872 6.452 -6.041 1.00 0.00 C ATOM 1435 CG HIS A 89 9.963 7.372 -6.798 1.00 0.00 C ATOM 1436 ND1 HIS A 89 9.582 8.610 -6.326 1.00 0.00 N ATOM 1437 CD2 HIS A 89 9.361 7.228 -8.002 1.00 0.00 C ATOM 1438 CE1 HIS A 89 8.783 9.188 -7.205 1.00 0.00 C ATOM 1439 NE2 HIS A 89 8.634 8.370 -8.232 1.00 0.00 N ATOM 0 H HIS A 89 8.591 5.443 -6.750 1.00 0.00 H new ATOM 0 HA HIS A 89 10.852 4.517 -5.107 1.00 0.00 H new ATOM 0 HB2 HIS A 89 11.421 7.029 -5.297 1.00 0.00 H new ATOM 0 HB3 HIS A 89 11.608 6.035 -6.728 1.00 0.00 H new ATOM 0 HD2 HIS A 89 9.438 6.374 -8.659 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.329 10.163 -7.102 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.070 8.557 -9.061 1.00 0.00 H new ATOM 1448 N ARG A 90 10.338 6.439 -3.206 1.00 0.00 N ATOM 1449 CA ARG A 90 9.872 6.960 -1.926 1.00 0.00 C ATOM 1450 C ARG A 90 9.221 8.329 -2.102 1.00 0.00 C ATOM 1451 O ARG A 90 8.114 8.570 -1.620 1.00 0.00 O ATOM 1452 CB ARG A 90 11.034 7.059 -0.937 1.00 0.00 C ATOM 1453 CG ARG A 90 10.742 7.950 0.259 1.00 0.00 C ATOM 1454 CD ARG A 90 9.860 7.244 1.277 1.00 0.00 C ATOM 1455 NE ARG A 90 9.761 7.992 2.527 1.00 0.00 N ATOM 1456 CZ ARG A 90 8.963 9.040 2.696 1.00 0.00 C ATOM 1457 NH1 ARG A 90 8.197 9.461 1.699 1.00 0.00 N ATOM 1458 NH2 ARG A 90 8.928 9.669 3.864 1.00 0.00 N ATOM 0 H ARG A 90 11.327 6.605 -3.394 1.00 0.00 H new ATOM 0 HA ARG A 90 9.127 6.270 -1.531 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.284 6.059 -0.582 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.912 7.441 -1.458 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.679 8.246 0.731 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.252 8.864 -0.077 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.863 7.104 0.858 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.263 6.252 1.479 1.00 0.00 H new ATOM 0 HE ARG A 90 10.337 7.693 3.314 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.220 8.980 0.800 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.585 10.266 1.831 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.515 9.348 4.634 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.314 10.474 3.992 1.00 0.00 H new ATOM 1472 N THR A 91 9.917 9.225 -2.796 1.00 0.00 N ATOM 1473 CA THR A 91 9.409 10.570 -3.034 1.00 0.00 C ATOM 1474 C THR A 91 7.958 10.535 -3.498 1.00 0.00 C ATOM 1475 O THR A 91 7.160 11.398 -3.134 1.00 0.00 O ATOM 1476 CB THR A 91 10.255 11.312 -4.086 1.00 0.00 C ATOM 1477 OG1 THR A 91 11.643 11.239 -3.738 1.00 0.00 O ATOM 1478 CG2 THR A 91 9.830 12.768 -4.193 1.00 0.00 C ATOM 0 H THR A 91 10.834 9.043 -3.203 1.00 0.00 H new ATOM 0 HA THR A 91 9.472 11.104 -2.086 1.00 0.00 H new ATOM 0 HB THR A 91 10.097 10.832 -5.052 1.00 0.00 H new ATOM 0 HG1 THR A 91 12.175 11.711 -4.412 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.441 13.271 -4.942 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.781 12.820 -4.486 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.962 13.257 -3.228 1.00 0.00 H new ATOM 1486 N GLU A 92 7.623 9.532 -4.304 1.00 0.00 N ATOM 1487 CA GLU A 92 6.266 9.387 -4.818 1.00 0.00 C ATOM 1488 C GLU A 92 5.308 8.956 -3.711 1.00 0.00 C ATOM 1489 O GLU A 92 4.339 9.651 -3.409 1.00 0.00 O ATOM 1490 CB GLU A 92 6.236 8.368 -5.959 1.00 0.00 C ATOM 1491 CG GLU A 92 4.890 7.684 -6.129 1.00 0.00 C ATOM 1492 CD GLU A 92 4.706 7.093 -7.513 1.00 0.00 C ATOM 1493 OE1 GLU A 92 5.364 7.577 -8.458 1.00 0.00 O ATOM 1494 OE2 GLU A 92 3.903 6.147 -7.652 1.00 0.00 O ATOM 0 H GLU A 92 8.272 8.809 -4.615 1.00 0.00 H new ATOM 0 HA GLU A 92 5.943 10.356 -5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.499 8.870 -6.890 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.999 7.611 -5.779 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.792 6.894 -5.385 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.094 8.404 -5.937 1.00 0.00 H new ATOM 1501 N MET A 93 5.587 7.803 -3.111 1.00 0.00 N ATOM 1502 CA MET A 93 4.752 7.279 -2.037 1.00 0.00 C ATOM 1503 C MET A 93 4.433 8.366 -1.016 1.00 0.00 C ATOM 1504 O MET A 93 3.475 8.252 -0.251 1.00 0.00 O ATOM 1505 CB MET A 93 5.447 6.103 -1.348 1.00 0.00 C ATOM 1506 CG MET A 93 4.702 5.587 -0.127 1.00 0.00 C ATOM 1507 SD MET A 93 5.680 4.424 0.843 1.00 0.00 S ATOM 1508 CE MET A 93 6.963 5.504 1.473 1.00 0.00 C ATOM 0 H MET A 93 6.385 7.214 -3.351 1.00 0.00 H new ATOM 0 HA MET A 93 3.816 6.932 -2.475 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.562 5.289 -2.064 1.00 0.00 H new ATOM 0 HB3 MET A 93 6.450 6.409 -1.049 1.00 0.00 H new ATOM 0 HG2 MET A 93 4.417 6.430 0.503 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.780 5.102 -0.447 1.00 0.00 H new ATOM 0 HE1 MET A 93 7.918 5.237 1.020 1.00 0.00 H new ATOM 0 HE2 MET A 93 6.721 6.538 1.227 1.00 0.00 H new ATOM 0 HE3 MET A 93 7.032 5.395 2.555 1.00 0.00 H new ATOM 1518 N ASP A 94 5.243 9.420 -1.008 1.00 0.00 N ATOM 1519 CA ASP A 94 5.047 10.528 -0.081 1.00 0.00 C ATOM 1520 C ASP A 94 3.843 11.372 -0.490 1.00 0.00 C ATOM 1521 O ASP A 94 3.015 11.735 0.345 1.00 0.00 O ATOM 1522 CB ASP A 94 6.301 11.401 -0.023 1.00 0.00 C ATOM 1523 CG ASP A 94 6.452 12.110 1.308 1.00 0.00 C ATOM 1524 OD1 ASP A 94 5.859 11.640 2.302 1.00 0.00 O ATOM 1525 OD2 ASP A 94 7.163 13.136 1.356 1.00 0.00 O ATOM 0 H ASP A 94 6.041 9.530 -1.633 1.00 0.00 H new ATOM 0 HA ASP A 94 4.858 10.112 0.909 1.00 0.00 H new ATOM 0 HB2 ASP A 94 7.180 10.782 -0.203 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.263 12.140 -0.823 1.00 0.00 H new ATOM 1530 N TRP A 95 3.755 11.682 -1.778 1.00 0.00 N ATOM 1531 CA TRP A 95 2.653 12.484 -2.298 1.00 0.00 C ATOM 1532 C TRP A 95 1.365 11.670 -2.352 1.00 0.00 C ATOM 1533 O TRP A 95 0.311 12.128 -1.910 1.00 0.00 O ATOM 1534 CB TRP A 95 2.995 13.016 -3.691 1.00 0.00 C ATOM 1535 CG TRP A 95 2.479 12.150 -4.800 1.00 0.00 C ATOM 1536 CD1 TRP A 95 3.222 11.403 -5.670 1.00 0.00 C ATOM 1537 CD2 TRP A 95 1.109 11.942 -5.158 1.00 0.00 C ATOM 1538 NE1 TRP A 95 2.395 10.745 -6.548 1.00 0.00 N ATOM 1539 CE2 TRP A 95 1.094 11.058 -6.255 1.00 0.00 C ATOM 1540 CE3 TRP A 95 -0.108 12.416 -4.659 1.00 0.00 C ATOM 1541 CZ2 TRP A 95 -0.089 10.640 -6.858 1.00 0.00 C ATOM 1542 CZ3 TRP A 95 -1.281 12.000 -5.260 1.00 0.00 C ATOM 1543 CH2 TRP A 95 -1.265 11.119 -6.349 1.00 0.00 C ATOM 0 H TRP A 95 4.433 11.390 -2.482 1.00 0.00 H new ATOM 0 HA TRP A 95 2.499 13.326 -1.623 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.582 14.019 -3.801 1.00 0.00 H new ATOM 0 HB3 TRP A 95 4.077 13.105 -3.783 1.00 0.00 H new ATOM 0 HD1 TRP A 95 4.300 11.339 -5.668 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.700 10.124 -7.297 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.131 13.095 -3.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -0.079 9.961 -7.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.227 12.361 -4.883 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.199 10.812 -6.795 1.00 0.00 H new ATOM 1554 N VAL A 96 1.457 10.461 -2.897 1.00 0.00 N ATOM 1555 CA VAL A 96 0.298 9.583 -3.008 1.00 0.00 C ATOM 1556 C VAL A 96 -0.409 9.435 -1.665 1.00 0.00 C ATOM 1557 O VAL A 96 -1.630 9.280 -1.608 1.00 0.00 O ATOM 1558 CB VAL A 96 0.699 8.188 -3.522 1.00 0.00 C ATOM 1559 CG1 VAL A 96 1.584 8.306 -4.753 1.00 0.00 C ATOM 1560 CG2 VAL A 96 1.398 7.397 -2.426 1.00 0.00 C ATOM 0 H VAL A 96 2.322 10.067 -3.268 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.382 10.044 -3.724 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.206 7.651 -3.805 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.857 7.310 -5.102 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.043 8.831 -5.541 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.487 8.862 -4.500 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.674 6.414 -2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.295 7.929 -2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.726 7.281 -1.576 1.00 0.00 H new ATOM 1570 N LEU A 97 0.365 9.483 -0.587 1.00 0.00 N ATOM 1571 CA LEU A 97 -0.187 9.355 0.757 1.00 0.00 C ATOM 1572 C LEU A 97 -0.836 10.660 1.207 1.00 0.00 C ATOM 1573 O LEU A 97 -2.034 10.707 1.486 1.00 0.00 O ATOM 1574 CB LEU A 97 0.909 8.950 1.744 1.00 0.00 C ATOM 1575 CG LEU A 97 1.399 7.505 1.648 1.00 0.00 C ATOM 1576 CD1 LEU A 97 2.671 7.317 2.461 1.00 0.00 C ATOM 1577 CD2 LEU A 97 0.317 6.543 2.117 1.00 0.00 C ATOM 0 H LEU A 97 1.377 9.610 -0.617 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.952 8.579 0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.763 9.612 1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.540 9.121 2.755 1.00 0.00 H new ATOM 0 HG LEU A 97 1.624 7.287 0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.005 6.282 2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.448 7.980 2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.473 7.554 3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.683 5.519 2.042 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.060 6.761 3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.568 6.659 1.492 1.00 0.00 H new