USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 528 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 38 GLN : amide:sc= -1.07 K(o=-8.5,f=-11) USER MOD Set 1.2: A 77 MET CE :methyl 155:sc= -7.41! (180deg=-8.16!) USER MOD Single : A 17 THR OG1 : rot 25:sc= 0.119 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.09 X(o=-1.1,f=-0.86) USER MOD Single : A 45 THR OG1 : rot -139:sc= 0.0054 USER MOD Single : A 46 HIS : no HD1:sc= -0.0331 K(o=-0.033,f=-0.56) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.0393 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.508) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 166:sc= -0.0204 (180deg=-0.163) USER MOD Single : A 83 TYR OH : rot 30:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -134:sc= -1.63! (180deg=-4.89!) USER MOD Single : A 90 ASN : amide:sc= -0.169 K(o=-0.17,f=-4.1!) USER MOD Single : A 91 LYS NZ :NH3+ -165:sc= -0.0135 (180deg=-0.18) USER MOD ----------------------------------------------------------------- ATOM 202 N THR A 17 3.627 4.243 1.401 1.00 0.00 N ATOM 203 CA THR A 17 4.218 3.029 1.951 1.00 0.00 C ATOM 204 C THR A 17 3.300 2.392 2.988 1.00 0.00 C ATOM 205 O THR A 17 2.648 3.089 3.766 1.00 0.00 O ATOM 206 CB THR A 17 5.586 3.315 2.600 1.00 0.00 C ATOM 207 OG1 THR A 17 6.447 3.967 1.660 1.00 0.00 O ATOM 208 CG2 THR A 17 6.235 2.027 3.082 1.00 0.00 C ATOM 0 HA THR A 17 4.356 2.339 1.119 1.00 0.00 H new ATOM 0 HB THR A 17 5.428 3.967 3.459 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.906 4.429 0.986 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.199 2.253 3.536 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.590 1.548 3.819 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.381 1.355 2.237 1.00 0.00 H new ATOM 216 N VAL A 18 3.254 1.064 2.994 1.00 0.00 N ATOM 217 CA VAL A 18 2.417 0.332 3.937 1.00 0.00 C ATOM 218 C VAL A 18 3.241 -0.207 5.101 1.00 0.00 C ATOM 219 O VAL A 18 4.452 -0.395 4.983 1.00 0.00 O ATOM 220 CB VAL A 18 1.690 -0.840 3.251 1.00 0.00 C ATOM 221 CG1 VAL A 18 1.170 -0.420 1.885 1.00 0.00 C ATOM 222 CG2 VAL A 18 2.614 -2.042 3.132 1.00 0.00 C ATOM 0 H VAL A 18 3.787 0.473 2.356 1.00 0.00 H new ATOM 0 HA VAL A 18 1.677 1.037 4.315 1.00 0.00 H new ATOM 0 HB VAL A 18 0.836 -1.125 3.866 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.659 -1.261 1.416 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.472 0.409 2.001 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.005 -0.107 1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.085 -2.861 2.645 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.488 -1.772 2.539 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.933 -2.356 4.126 1.00 0.00 H new ATOM 232 N TYR A 19 2.577 -0.453 6.225 1.00 0.00 N ATOM 233 CA TYR A 19 3.249 -0.969 7.412 1.00 0.00 C ATOM 234 C TYR A 19 2.983 -2.461 7.583 1.00 0.00 C ATOM 235 O TYR A 19 1.908 -2.866 8.026 1.00 0.00 O ATOM 236 CB TYR A 19 2.784 -0.211 8.656 1.00 0.00 C ATOM 237 CG TYR A 19 3.627 -0.484 9.882 1.00 0.00 C ATOM 238 CD1 TYR A 19 3.719 -1.764 10.415 1.00 0.00 C ATOM 239 CD2 TYR A 19 4.331 0.538 10.507 1.00 0.00 C ATOM 240 CE1 TYR A 19 4.487 -2.018 11.534 1.00 0.00 C ATOM 241 CE2 TYR A 19 5.103 0.292 11.626 1.00 0.00 C ATOM 242 CZ TYR A 19 5.178 -0.987 12.136 1.00 0.00 C ATOM 243 OH TYR A 19 5.944 -1.235 13.251 1.00 0.00 O ATOM 0 H TYR A 19 1.574 -0.304 6.339 1.00 0.00 H new ATOM 0 HA TYR A 19 4.321 -0.822 7.284 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.799 0.859 8.446 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.749 -0.480 8.869 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.180 -2.574 9.946 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.274 1.541 10.111 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.546 -3.019 11.936 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.645 1.097 12.099 1.00 0.00 H new ATOM 0 HH TYR A 19 6.365 -0.402 13.550 1.00 0.00 H new ATOM 253 N VAL A 20 3.971 -3.277 7.229 1.00 0.00 N ATOM 254 CA VAL A 20 3.846 -4.725 7.344 1.00 0.00 C ATOM 255 C VAL A 20 4.487 -5.230 8.632 1.00 0.00 C ATOM 256 O VAL A 20 5.707 -5.201 8.784 1.00 0.00 O ATOM 257 CB VAL A 20 4.496 -5.441 6.145 1.00 0.00 C ATOM 258 CG1 VAL A 20 4.283 -6.944 6.242 1.00 0.00 C ATOM 259 CG2 VAL A 20 3.941 -4.899 4.837 1.00 0.00 C ATOM 0 H VAL A 20 4.867 -2.959 6.860 1.00 0.00 H new ATOM 0 HA VAL A 20 2.780 -4.951 7.358 1.00 0.00 H new ATOM 0 HB VAL A 20 5.569 -5.248 6.166 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.749 -7.433 5.387 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.733 -7.317 7.162 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.215 -7.161 6.246 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.411 -5.416 4.000 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.864 -5.061 4.804 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.150 -3.831 4.768 1.00 0.00 H new ATOM 269 N GLY A 21 3.653 -5.695 9.558 1.00 0.00 N ATOM 270 CA GLY A 21 4.156 -6.201 10.822 1.00 0.00 C ATOM 271 C GLY A 21 3.663 -7.603 11.122 1.00 0.00 C ATOM 272 O GLY A 21 2.540 -7.787 11.591 1.00 0.00 O ATOM 0 H GLY A 21 2.639 -5.730 9.455 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.246 -6.199 10.803 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.850 -5.532 11.626 1.00 0.00 H new ATOM 276 N GLY A 22 4.504 -8.596 10.850 1.00 0.00 N ATOM 277 CA GLY A 22 4.129 -9.976 11.099 1.00 0.00 C ATOM 278 C GLY A 22 4.394 -10.873 9.906 1.00 0.00 C ATOM 279 O GLY A 22 3.504 -11.594 9.452 1.00 0.00 O ATOM 0 H GLY A 22 5.439 -8.470 10.462 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.682 -10.350 11.961 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.071 -10.021 11.356 1.00 0.00 H new ATOM 283 N LEU A 23 5.619 -10.828 9.395 1.00 0.00 N ATOM 284 CA LEU A 23 5.999 -11.643 8.246 1.00 0.00 C ATOM 285 C LEU A 23 6.750 -12.894 8.690 1.00 0.00 C ATOM 286 O LEU A 23 7.623 -12.832 9.555 1.00 0.00 O ATOM 287 CB LEU A 23 6.866 -10.829 7.283 1.00 0.00 C ATOM 288 CG LEU A 23 6.198 -9.608 6.648 1.00 0.00 C ATOM 289 CD1 LEU A 23 7.246 -8.648 6.108 1.00 0.00 C ATOM 290 CD2 LEU A 23 5.244 -10.037 5.543 1.00 0.00 C ATOM 0 H LEU A 23 6.366 -10.236 9.758 1.00 0.00 H new ATOM 0 HA LEU A 23 5.088 -11.951 7.733 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.754 -10.495 7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.205 -11.489 6.485 1.00 0.00 H new ATOM 0 HG LEU A 23 5.623 -9.091 7.416 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.753 -7.785 5.660 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.889 -8.316 6.923 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.848 -9.154 5.354 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.778 -9.156 5.102 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.797 -10.578 4.775 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.473 -10.686 5.959 1.00 0.00 H new ATOM 302 N ASP A 24 6.406 -14.028 8.089 1.00 0.00 N ATOM 303 CA ASP A 24 7.049 -15.294 8.420 1.00 0.00 C ATOM 304 C ASP A 24 8.511 -15.291 7.984 1.00 0.00 C ATOM 305 O ASP A 24 8.978 -14.343 7.353 1.00 0.00 O ATOM 306 CB ASP A 24 6.309 -16.456 7.755 1.00 0.00 C ATOM 307 CG ASP A 24 6.701 -17.800 8.336 1.00 0.00 C ATOM 308 OD1 ASP A 24 6.319 -18.082 9.491 1.00 0.00 O ATOM 309 OD2 ASP A 24 7.390 -18.571 7.635 1.00 0.00 O ATOM 0 H ASP A 24 5.686 -14.096 7.370 1.00 0.00 H new ATOM 0 HA ASP A 24 7.011 -15.420 9.502 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.235 -16.313 7.871 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.518 -16.451 6.685 1.00 0.00 H new ATOM 314 N GLU A 25 9.228 -16.356 8.327 1.00 0.00 N ATOM 315 CA GLU A 25 10.638 -16.474 7.973 1.00 0.00 C ATOM 316 C GLU A 25 10.815 -16.530 6.458 1.00 0.00 C ATOM 317 O GLU A 25 11.686 -15.864 5.898 1.00 0.00 O ATOM 318 CB GLU A 25 11.245 -17.723 8.614 1.00 0.00 C ATOM 319 CG GLU A 25 10.662 -19.023 8.088 1.00 0.00 C ATOM 320 CD GLU A 25 11.266 -20.245 8.752 1.00 0.00 C ATOM 321 OE1 GLU A 25 10.961 -20.488 9.938 1.00 0.00 O ATOM 322 OE2 GLU A 25 12.044 -20.959 8.085 1.00 0.00 O ATOM 0 H GLU A 25 8.856 -17.149 8.849 1.00 0.00 H new ATOM 0 HA GLU A 25 11.156 -15.592 8.351 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.321 -17.722 8.443 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.094 -17.677 9.693 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.584 -19.024 8.247 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.826 -19.081 7.012 1.00 0.00 H new ATOM 329 N LYS A 26 9.982 -17.329 5.800 1.00 0.00 N ATOM 330 CA LYS A 26 10.045 -17.473 4.350 1.00 0.00 C ATOM 331 C LYS A 26 9.984 -16.112 3.665 1.00 0.00 C ATOM 332 O LYS A 26 10.803 -15.804 2.799 1.00 0.00 O ATOM 333 CB LYS A 26 8.898 -18.357 3.855 1.00 0.00 C ATOM 334 CG LYS A 26 9.072 -19.827 4.195 1.00 0.00 C ATOM 335 CD LYS A 26 8.348 -20.719 3.201 1.00 0.00 C ATOM 336 CE LYS A 26 6.876 -20.868 3.554 1.00 0.00 C ATOM 337 NZ LYS A 26 6.332 -22.185 3.124 1.00 0.00 N ATOM 0 H LYS A 26 9.255 -17.887 6.248 1.00 0.00 H new ATOM 0 HA LYS A 26 10.995 -17.945 4.097 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.963 -18.001 4.288 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.809 -18.251 2.774 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.133 -20.076 4.203 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.692 -20.017 5.199 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.442 -20.300 2.199 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.820 -21.701 3.182 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.748 -20.757 4.631 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.307 -20.068 3.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.327 -22.247 3.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.431 -22.281 2.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.858 -22.948 3.595 1.00 0.00 H new ATOM 351 N VAL A 27 9.008 -15.299 4.060 1.00 0.00 N ATOM 352 CA VAL A 27 8.842 -13.969 3.485 1.00 0.00 C ATOM 353 C VAL A 27 10.190 -13.353 3.128 1.00 0.00 C ATOM 354 O VAL A 27 11.182 -13.556 3.828 1.00 0.00 O ATOM 355 CB VAL A 27 8.100 -13.028 4.453 1.00 0.00 C ATOM 356 CG1 VAL A 27 7.854 -11.677 3.801 1.00 0.00 C ATOM 357 CG2 VAL A 27 6.792 -13.657 4.908 1.00 0.00 C ATOM 0 H VAL A 27 8.321 -15.538 4.775 1.00 0.00 H new ATOM 0 HA VAL A 27 8.248 -14.087 2.579 1.00 0.00 H new ATOM 0 HB VAL A 27 8.726 -12.871 5.331 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.329 -11.026 4.500 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.808 -11.225 3.530 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.248 -11.810 2.905 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.281 -12.979 5.591 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.158 -13.845 4.042 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.999 -14.598 5.418 1.00 0.00 H new ATOM 367 N SER A 28 10.218 -12.598 2.034 1.00 0.00 N ATOM 368 CA SER A 28 11.445 -11.954 1.581 1.00 0.00 C ATOM 369 C SER A 28 11.158 -10.554 1.046 1.00 0.00 C ATOM 370 O SER A 28 10.003 -10.144 0.940 1.00 0.00 O ATOM 371 CB SER A 28 12.120 -12.798 0.498 1.00 0.00 C ATOM 372 OG SER A 28 12.403 -14.103 0.971 1.00 0.00 O ATOM 0 H SER A 28 9.405 -12.418 1.445 1.00 0.00 H new ATOM 0 HA SER A 28 12.117 -11.867 2.435 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.473 -12.857 -0.377 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.044 -12.315 0.179 1.00 0.00 H new ATOM 0 HG SER A 28 12.833 -14.623 0.260 1.00 0.00 H new ATOM 378 N GLU A 29 12.219 -9.827 0.710 1.00 0.00 N ATOM 379 CA GLU A 29 12.082 -8.473 0.187 1.00 0.00 C ATOM 380 C GLU A 29 11.433 -8.487 -1.195 1.00 0.00 C ATOM 381 O GLU A 29 10.416 -7.836 -1.437 1.00 0.00 O ATOM 382 CB GLU A 29 13.449 -7.789 0.113 1.00 0.00 C ATOM 383 CG GLU A 29 13.788 -6.972 1.348 1.00 0.00 C ATOM 384 CD GLU A 29 15.276 -6.940 1.637 1.00 0.00 C ATOM 385 OE1 GLU A 29 16.002 -6.216 0.925 1.00 0.00 O ATOM 386 OE2 GLU A 29 15.714 -7.640 2.573 1.00 0.00 O ATOM 0 H GLU A 29 13.182 -10.153 0.791 1.00 0.00 H new ATOM 0 HA GLU A 29 11.440 -7.912 0.866 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.218 -8.548 -0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.473 -7.138 -0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.426 -5.953 1.215 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.264 -7.387 2.209 1.00 0.00 H new ATOM 393 N PRO A 30 12.034 -9.246 -2.123 1.00 0.00 N ATOM 394 CA PRO A 30 11.533 -9.363 -3.495 1.00 0.00 C ATOM 395 C PRO A 30 10.222 -10.139 -3.569 1.00 0.00 C ATOM 396 O PRO A 30 9.700 -10.394 -4.655 1.00 0.00 O ATOM 397 CB PRO A 30 12.647 -10.127 -4.215 1.00 0.00 C ATOM 398 CG PRO A 30 13.334 -10.898 -3.141 1.00 0.00 C ATOM 399 CD PRO A 30 13.249 -10.048 -1.903 1.00 0.00 C ATOM 0 HA PRO A 30 11.313 -8.389 -3.933 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.242 -10.789 -4.980 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.335 -9.445 -4.715 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.853 -11.864 -2.985 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.372 -11.098 -3.407 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.171 -10.657 -1.002 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.131 -9.418 -1.787 1.00 0.00 H new ATOM 407 N LEU A 31 9.694 -10.511 -2.408 1.00 0.00 N ATOM 408 CA LEU A 31 8.442 -11.257 -2.341 1.00 0.00 C ATOM 409 C LEU A 31 7.251 -10.313 -2.213 1.00 0.00 C ATOM 410 O LEU A 31 6.278 -10.419 -2.960 1.00 0.00 O ATOM 411 CB LEU A 31 8.467 -12.228 -1.160 1.00 0.00 C ATOM 412 CG LEU A 31 7.170 -12.992 -0.891 1.00 0.00 C ATOM 413 CD1 LEU A 31 6.910 -14.008 -1.992 1.00 0.00 C ATOM 414 CD2 LEU A 31 7.226 -13.676 0.467 1.00 0.00 C ATOM 0 H LEU A 31 10.113 -10.308 -1.500 1.00 0.00 H new ATOM 0 HA LEU A 31 8.335 -11.823 -3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.264 -12.953 -1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.729 -11.669 -0.262 1.00 0.00 H new ATOM 0 HG LEU A 31 6.346 -12.279 -0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.983 -14.542 -1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.825 -13.493 -2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.736 -14.718 -2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.295 -14.215 0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.060 -14.377 0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.363 -12.927 1.246 1.00 0.00 H new ATOM 426 N LEU A 32 7.335 -9.389 -1.262 1.00 0.00 N ATOM 427 CA LEU A 32 6.265 -8.423 -1.037 1.00 0.00 C ATOM 428 C LEU A 32 5.975 -7.626 -2.305 1.00 0.00 C ATOM 429 O LEU A 32 4.819 -7.352 -2.626 1.00 0.00 O ATOM 430 CB LEU A 32 6.641 -7.473 0.101 1.00 0.00 C ATOM 431 CG LEU A 32 7.210 -8.126 1.361 1.00 0.00 C ATOM 432 CD1 LEU A 32 7.623 -7.067 2.372 1.00 0.00 C ATOM 433 CD2 LEU A 32 6.194 -9.081 1.972 1.00 0.00 C ATOM 0 H LEU A 32 8.133 -9.288 -0.634 1.00 0.00 H new ATOM 0 HA LEU A 32 5.365 -8.972 -0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.373 -6.759 -0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.754 -6.904 0.380 1.00 0.00 H new ATOM 0 HG LEU A 32 8.095 -8.698 1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.025 -7.551 3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.385 -6.423 1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.755 -6.468 2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.616 -9.537 2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.291 -8.531 2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.947 -9.860 1.251 1.00 0.00 H new ATOM 445 N TRP A 33 7.031 -7.260 -3.022 1.00 0.00 N ATOM 446 CA TRP A 33 6.889 -6.497 -4.257 1.00 0.00 C ATOM 447 C TRP A 33 5.784 -7.079 -5.132 1.00 0.00 C ATOM 448 O TRP A 33 4.716 -6.486 -5.274 1.00 0.00 O ATOM 449 CB TRP A 33 8.211 -6.481 -5.026 1.00 0.00 C ATOM 450 CG TRP A 33 8.315 -5.350 -6.004 1.00 0.00 C ATOM 451 CD1 TRP A 33 7.376 -4.968 -6.918 1.00 0.00 C ATOM 452 CD2 TRP A 33 9.422 -4.456 -6.166 1.00 0.00 C ATOM 453 NE1 TRP A 33 7.832 -3.891 -7.639 1.00 0.00 N ATOM 454 CE2 TRP A 33 9.084 -3.557 -7.196 1.00 0.00 C ATOM 455 CE3 TRP A 33 10.664 -4.327 -5.539 1.00 0.00 C ATOM 456 CZ2 TRP A 33 9.945 -2.545 -7.613 1.00 0.00 C ATOM 457 CZ3 TRP A 33 11.518 -3.322 -5.954 1.00 0.00 C ATOM 458 CH2 TRP A 33 11.155 -2.442 -6.982 1.00 0.00 C ATOM 0 H TRP A 33 7.995 -7.479 -2.770 1.00 0.00 H new ATOM 0 HA TRP A 33 6.618 -5.474 -3.994 1.00 0.00 H new ATOM 0 HB2 TRP A 33 9.035 -6.415 -4.316 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.324 -7.425 -5.559 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.416 -5.443 -7.054 1.00 0.00 H new ATOM 0 HE1 TRP A 33 7.321 -3.417 -8.384 1.00 0.00 H new ATOM 0 HE3 TRP A 33 10.952 -5.000 -4.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 9.668 -1.866 -8.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 12.481 -3.213 -5.478 1.00 0.00 H new ATOM 0 HH2 TRP A 33 11.844 -1.667 -7.283 1.00 0.00 H new ATOM 469 N GLU A 34 6.050 -8.243 -5.717 1.00 0.00 N ATOM 470 CA GLU A 34 5.077 -8.903 -6.579 1.00 0.00 C ATOM 471 C GLU A 34 3.792 -9.210 -5.815 1.00 0.00 C ATOM 472 O GLU A 34 2.690 -9.031 -6.335 1.00 0.00 O ATOM 473 CB GLU A 34 5.664 -10.196 -7.151 1.00 0.00 C ATOM 474 CG GLU A 34 4.682 -10.986 -8.000 1.00 0.00 C ATOM 475 CD GLU A 34 5.352 -12.098 -8.784 1.00 0.00 C ATOM 476 OE1 GLU A 34 5.633 -13.158 -8.186 1.00 0.00 O ATOM 477 OE2 GLU A 34 5.596 -11.908 -9.993 1.00 0.00 O ATOM 0 H GLU A 34 6.930 -8.747 -5.610 1.00 0.00 H new ATOM 0 HA GLU A 34 4.838 -8.226 -7.399 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.539 -9.953 -7.754 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.008 -10.824 -6.329 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.913 -11.413 -7.357 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.180 -10.310 -8.692 1.00 0.00 H new ATOM 484 N LEU A 35 3.942 -9.673 -4.579 1.00 0.00 N ATOM 485 CA LEU A 35 2.795 -10.005 -3.742 1.00 0.00 C ATOM 486 C LEU A 35 1.886 -8.794 -3.558 1.00 0.00 C ATOM 487 O LEU A 35 0.676 -8.934 -3.381 1.00 0.00 O ATOM 488 CB LEU A 35 3.264 -10.517 -2.379 1.00 0.00 C ATOM 489 CG LEU A 35 2.205 -10.558 -1.277 1.00 0.00 C ATOM 490 CD1 LEU A 35 1.188 -11.654 -1.555 1.00 0.00 C ATOM 491 CD2 LEU A 35 2.858 -10.766 0.082 1.00 0.00 C ATOM 0 H LEU A 35 4.847 -9.827 -4.134 1.00 0.00 H new ATOM 0 HA LEU A 35 2.227 -10.790 -4.242 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.664 -11.523 -2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.087 -9.888 -2.041 1.00 0.00 H new ATOM 0 HG LEU A 35 1.683 -9.601 -1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.442 -11.668 -0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.698 -11.462 -2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.694 -12.618 -1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.090 -10.793 0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.406 -11.708 0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.547 -9.946 0.284 1.00 0.00 H new ATOM 503 N PHE A 36 2.477 -7.605 -3.603 1.00 0.00 N ATOM 504 CA PHE A 36 1.721 -6.368 -3.443 1.00 0.00 C ATOM 505 C PHE A 36 1.327 -5.792 -4.799 1.00 0.00 C ATOM 506 O PHE A 36 0.332 -5.075 -4.917 1.00 0.00 O ATOM 507 CB PHE A 36 2.541 -5.342 -2.659 1.00 0.00 C ATOM 508 CG PHE A 36 2.384 -5.460 -1.170 1.00 0.00 C ATOM 509 CD1 PHE A 36 2.814 -6.596 -0.502 1.00 0.00 C ATOM 510 CD2 PHE A 36 1.808 -4.435 -0.437 1.00 0.00 C ATOM 511 CE1 PHE A 36 2.669 -6.708 0.868 1.00 0.00 C ATOM 512 CE2 PHE A 36 1.661 -4.541 0.933 1.00 0.00 C ATOM 513 CZ PHE A 36 2.094 -5.678 1.587 1.00 0.00 C ATOM 0 H PHE A 36 3.478 -7.472 -3.749 1.00 0.00 H new ATOM 0 HA PHE A 36 0.812 -6.597 -2.887 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.594 -5.458 -2.915 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.246 -4.340 -2.969 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.268 -7.403 -1.058 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.470 -3.542 -0.942 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.005 -7.600 1.376 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.208 -3.736 1.492 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.983 -5.762 2.658 1.00 0.00 H new ATOM 523 N LEU A 37 2.114 -6.109 -5.821 1.00 0.00 N ATOM 524 CA LEU A 37 1.849 -5.623 -7.171 1.00 0.00 C ATOM 525 C LEU A 37 0.357 -5.671 -7.484 1.00 0.00 C ATOM 526 O LEU A 37 -0.161 -4.826 -8.213 1.00 0.00 O ATOM 527 CB LEU A 37 2.623 -6.454 -8.195 1.00 0.00 C ATOM 528 CG LEU A 37 4.098 -6.091 -8.378 1.00 0.00 C ATOM 529 CD1 LEU A 37 4.740 -6.981 -9.431 1.00 0.00 C ATOM 530 CD2 LEU A 37 4.243 -4.624 -8.755 1.00 0.00 C ATOM 0 H LEU A 37 2.941 -6.701 -5.741 1.00 0.00 H new ATOM 0 HA LEU A 37 2.181 -4.586 -7.228 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.561 -7.502 -7.904 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.124 -6.361 -9.160 1.00 0.00 H new ATOM 0 HG LEU A 37 4.613 -6.254 -7.431 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.789 -6.708 -9.548 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.669 -8.023 -9.119 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.223 -6.850 -10.382 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.299 -4.383 -8.881 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.713 -4.434 -9.689 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.821 -4.002 -7.966 1.00 0.00 H new ATOM 542 N GLN A 38 -0.328 -6.664 -6.926 1.00 0.00 N ATOM 543 CA GLN A 38 -1.761 -6.821 -7.145 1.00 0.00 C ATOM 544 C GLN A 38 -2.511 -5.548 -6.770 1.00 0.00 C ATOM 545 O GLN A 38 -3.395 -5.099 -7.499 1.00 0.00 O ATOM 546 CB GLN A 38 -2.296 -8.001 -6.332 1.00 0.00 C ATOM 547 CG GLN A 38 -1.607 -8.177 -4.988 1.00 0.00 C ATOM 548 CD GLN A 38 -2.475 -8.900 -3.977 1.00 0.00 C ATOM 549 OE1 GLN A 38 -3.442 -8.340 -3.459 1.00 0.00 O ATOM 550 NE2 GLN A 38 -2.133 -10.150 -3.690 1.00 0.00 N ATOM 0 H GLN A 38 0.086 -7.372 -6.319 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.922 -7.017 -8.205 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.365 -7.863 -6.168 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.178 -8.915 -6.914 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.680 -8.733 -5.129 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.334 -7.198 -4.593 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.324 -10.574 -4.143 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.679 -10.686 -3.016 1.00 0.00 H new ATOM 559 N ALA A 39 -2.153 -4.971 -5.627 1.00 0.00 N ATOM 560 CA ALA A 39 -2.792 -3.748 -5.156 1.00 0.00 C ATOM 561 C ALA A 39 -2.416 -2.559 -6.034 1.00 0.00 C ATOM 562 O ALA A 39 -3.268 -1.751 -6.399 1.00 0.00 O ATOM 563 CB ALA A 39 -2.411 -3.478 -3.708 1.00 0.00 C ATOM 0 H ALA A 39 -1.424 -5.331 -5.011 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.872 -3.885 -5.217 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.895 -2.562 -3.369 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.735 -4.312 -3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.329 -3.367 -3.631 1.00 0.00 H new ATOM 569 N GLY A 40 -1.133 -2.458 -6.368 1.00 0.00 N ATOM 570 CA GLY A 40 -0.667 -1.364 -7.200 1.00 0.00 C ATOM 571 C GLY A 40 0.763 -1.558 -7.665 1.00 0.00 C ATOM 572 O GLY A 40 1.417 -2.546 -7.335 1.00 0.00 O ATOM 0 H GLY A 40 -0.408 -3.114 -6.077 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.319 -1.269 -8.069 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.741 -0.430 -6.642 1.00 0.00 H new ATOM 576 N PRO A 41 1.267 -0.597 -8.454 1.00 0.00 N ATOM 577 CA PRO A 41 2.634 -0.644 -8.983 1.00 0.00 C ATOM 578 C PRO A 41 3.684 -0.441 -7.897 1.00 0.00 C ATOM 579 O PRO A 41 4.222 0.655 -7.736 1.00 0.00 O ATOM 580 CB PRO A 41 2.667 0.515 -9.983 1.00 0.00 C ATOM 581 CG PRO A 41 1.622 1.461 -9.501 1.00 0.00 C ATOM 582 CD PRO A 41 0.544 0.610 -8.888 1.00 0.00 C ATOM 0 HA PRO A 41 2.867 -1.613 -9.424 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.648 0.988 -10.008 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.453 0.171 -10.995 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.033 2.157 -8.770 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.227 2.058 -10.323 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.063 1.113 -8.049 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.239 0.372 -9.609 1.00 0.00 H new ATOM 590 N VAL A 42 3.972 -1.504 -7.152 1.00 0.00 N ATOM 591 CA VAL A 42 4.960 -1.442 -6.081 1.00 0.00 C ATOM 592 C VAL A 42 6.252 -0.791 -6.562 1.00 0.00 C ATOM 593 O VAL A 42 6.827 -1.200 -7.571 1.00 0.00 O ATOM 594 CB VAL A 42 5.279 -2.845 -5.531 1.00 0.00 C ATOM 595 CG1 VAL A 42 6.291 -2.757 -4.399 1.00 0.00 C ATOM 596 CG2 VAL A 42 4.006 -3.537 -5.066 1.00 0.00 C ATOM 0 H VAL A 42 3.535 -2.418 -7.270 1.00 0.00 H new ATOM 0 HA VAL A 42 4.527 -0.837 -5.285 1.00 0.00 H new ATOM 0 HB VAL A 42 5.717 -3.440 -6.333 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.504 -3.758 -4.023 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.211 -2.304 -4.768 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.884 -2.146 -3.594 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.250 -4.527 -4.681 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.538 -2.946 -4.279 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.317 -3.634 -5.905 1.00 0.00 H new ATOM 606 N VAL A 43 6.703 0.224 -5.833 1.00 0.00 N ATOM 607 CA VAL A 43 7.929 0.932 -6.183 1.00 0.00 C ATOM 608 C VAL A 43 9.158 0.191 -5.667 1.00 0.00 C ATOM 609 O VAL A 43 10.063 -0.139 -6.432 1.00 0.00 O ATOM 610 CB VAL A 43 7.931 2.364 -5.618 1.00 0.00 C ATOM 611 CG1 VAL A 43 9.004 3.204 -6.295 1.00 0.00 C ATOM 612 CG2 VAL A 43 6.560 3.003 -5.782 1.00 0.00 C ATOM 0 H VAL A 43 6.238 0.575 -4.996 1.00 0.00 H new ATOM 0 HA VAL A 43 7.968 0.979 -7.271 1.00 0.00 H new ATOM 0 HB VAL A 43 8.159 2.316 -4.553 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.990 4.213 -5.883 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.982 2.754 -6.121 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.810 3.247 -7.367 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.579 4.015 -5.377 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.300 3.040 -6.840 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.817 2.412 -5.246 1.00 0.00 H new ATOM 622 N ASN A 44 9.182 -0.067 -4.363 1.00 0.00 N ATOM 623 CA ASN A 44 10.300 -0.768 -3.743 1.00 0.00 C ATOM 624 C ASN A 44 9.882 -1.391 -2.415 1.00 0.00 C ATOM 625 O ASN A 44 8.879 -0.997 -1.819 1.00 0.00 O ATOM 626 CB ASN A 44 11.472 0.190 -3.524 1.00 0.00 C ATOM 627 CG ASN A 44 12.450 -0.321 -2.483 1.00 0.00 C ATOM 628 OD1 ASN A 44 13.383 -1.058 -2.802 1.00 0.00 O ATOM 629 ND2 ASN A 44 12.239 0.070 -1.232 1.00 0.00 N ATOM 0 H ASN A 44 8.440 0.199 -3.716 1.00 0.00 H new ATOM 0 HA ASN A 44 10.614 -1.566 -4.416 1.00 0.00 H new ATOM 0 HB2 ASN A 44 11.996 0.340 -4.468 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.090 1.162 -3.213 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.864 -0.241 -0.488 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.452 0.682 -1.015 1.00 0.00 H new ATOM 636 N THR A 45 10.659 -2.367 -1.954 1.00 0.00 N ATOM 637 CA THR A 45 10.370 -3.045 -0.697 1.00 0.00 C ATOM 638 C THR A 45 11.437 -2.741 0.349 1.00 0.00 C ATOM 639 O THR A 45 12.632 -2.747 0.051 1.00 0.00 O ATOM 640 CB THR A 45 10.276 -4.570 -0.890 1.00 0.00 C ATOM 641 OG1 THR A 45 11.528 -5.083 -1.361 1.00 0.00 O ATOM 642 CG2 THR A 45 9.174 -4.924 -1.877 1.00 0.00 C ATOM 0 H THR A 45 11.494 -2.705 -2.433 1.00 0.00 H new ATOM 0 HA THR A 45 9.407 -2.670 -0.350 1.00 0.00 H new ATOM 0 HB THR A 45 10.038 -5.021 0.073 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.365 -5.762 -2.049 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.127 -6.006 -1.997 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.218 -4.559 -1.502 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.386 -4.461 -2.841 1.00 0.00 H new ATOM 650 N HIS A 46 10.998 -2.477 1.575 1.00 0.00 N ATOM 651 CA HIS A 46 11.916 -2.173 2.667 1.00 0.00 C ATOM 652 C HIS A 46 11.746 -3.165 3.813 1.00 0.00 C ATOM 653 O HIS A 46 10.640 -3.364 4.314 1.00 0.00 O ATOM 654 CB HIS A 46 11.687 -0.748 3.171 1.00 0.00 C ATOM 655 CG HIS A 46 12.382 -0.451 4.465 1.00 0.00 C ATOM 656 ND1 HIS A 46 13.668 -0.865 4.740 1.00 0.00 N ATOM 657 CD2 HIS A 46 11.963 0.224 5.560 1.00 0.00 C ATOM 658 CE1 HIS A 46 14.010 -0.458 5.950 1.00 0.00 C ATOM 659 NE2 HIS A 46 12.992 0.205 6.469 1.00 0.00 N ATOM 0 H HIS A 46 10.012 -2.467 1.838 1.00 0.00 H new ATOM 0 HA HIS A 46 12.934 -2.257 2.287 1.00 0.00 H new ATOM 0 HB2 HIS A 46 12.031 -0.044 2.413 1.00 0.00 H new ATOM 0 HB3 HIS A 46 10.617 -0.583 3.297 1.00 0.00 H new ATOM 0 HD2 HIS A 46 10.998 0.691 5.694 1.00 0.00 H new ATOM 0 HE1 HIS A 46 14.960 -0.637 6.432 1.00 0.00 H new ATOM 0 HE2 HIS A 46 12.973 0.633 7.395 1.00 0.00 H new ATOM 667 N MET A 47 12.848 -3.783 4.223 1.00 0.00 N ATOM 668 CA MET A 47 12.820 -4.754 5.311 1.00 0.00 C ATOM 669 C MET A 47 14.062 -4.626 6.187 1.00 0.00 C ATOM 670 O MET A 47 15.177 -4.950 5.776 1.00 0.00 O ATOM 671 CB MET A 47 12.720 -6.175 4.752 1.00 0.00 C ATOM 672 CG MET A 47 11.290 -6.645 4.540 1.00 0.00 C ATOM 673 SD MET A 47 10.555 -7.332 6.036 1.00 0.00 S ATOM 674 CE MET A 47 11.042 -9.050 5.895 1.00 0.00 C ATOM 0 H MET A 47 13.772 -3.629 3.819 1.00 0.00 H new ATOM 0 HA MET A 47 11.942 -4.550 5.924 1.00 0.00 H new ATOM 0 HB2 MET A 47 13.254 -6.222 3.803 1.00 0.00 H new ATOM 0 HB3 MET A 47 13.222 -6.861 5.434 1.00 0.00 H new ATOM 0 HG2 MET A 47 10.684 -5.808 4.194 1.00 0.00 H new ATOM 0 HG3 MET A 47 11.272 -7.398 3.752 1.00 0.00 H new ATOM 0 HE1 MET A 47 10.660 -9.608 6.750 1.00 0.00 H new ATOM 0 HE2 MET A 47 10.633 -9.470 4.976 1.00 0.00 H new ATOM 0 HE3 MET A 47 12.130 -9.119 5.873 1.00 0.00 H new ATOM 684 N PRO A 48 13.869 -4.141 7.422 1.00 0.00 N ATOM 685 CA PRO A 48 14.963 -3.959 8.381 1.00 0.00 C ATOM 686 C PRO A 48 15.521 -5.287 8.883 1.00 0.00 C ATOM 687 O PRO A 48 14.774 -6.154 9.337 1.00 0.00 O ATOM 688 CB PRO A 48 14.305 -3.188 9.528 1.00 0.00 C ATOM 689 CG PRO A 48 12.860 -3.540 9.441 1.00 0.00 C ATOM 690 CD PRO A 48 12.568 -3.734 7.979 1.00 0.00 C ATOM 0 HA PRO A 48 15.814 -3.443 7.935 1.00 0.00 H new ATOM 0 HB2 PRO A 48 14.725 -3.476 10.491 1.00 0.00 H new ATOM 0 HB3 PRO A 48 14.458 -2.114 9.422 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.645 -4.447 10.006 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.240 -2.748 9.861 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.806 -4.497 7.819 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.202 -2.817 7.517 1.00 0.00 H new ATOM 851 N TYR A 59 8.897 -7.835 10.178 1.00 0.00 N ATOM 852 CA TYR A 59 8.090 -6.715 9.707 1.00 0.00 C ATOM 853 C TYR A 59 8.798 -5.971 8.579 1.00 0.00 C ATOM 854 O TYR A 59 10.021 -5.834 8.582 1.00 0.00 O ATOM 855 CB TYR A 59 7.792 -5.755 10.859 1.00 0.00 C ATOM 856 CG TYR A 59 8.960 -4.867 11.226 1.00 0.00 C ATOM 857 CD1 TYR A 59 10.064 -5.380 11.896 1.00 0.00 C ATOM 858 CD2 TYR A 59 8.960 -3.516 10.901 1.00 0.00 C ATOM 859 CE1 TYR A 59 11.133 -4.573 12.234 1.00 0.00 C ATOM 860 CE2 TYR A 59 10.025 -2.702 11.233 1.00 0.00 C ATOM 861 CZ TYR A 59 11.109 -3.234 11.900 1.00 0.00 C ATOM 862 OH TYR A 59 12.172 -2.427 12.233 1.00 0.00 O ATOM 0 HA TYR A 59 7.151 -7.112 9.322 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.942 -5.129 10.588 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.497 -6.333 11.735 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.087 -6.428 12.157 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.113 -3.095 10.380 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.983 -4.987 12.757 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.009 -1.654 10.972 1.00 0.00 H new ATOM 0 HH TYR A 59 11.998 -1.513 11.925 1.00 0.00 H new ATOM 872 N GLY A 60 8.018 -5.489 7.616 1.00 0.00 N ATOM 873 CA GLY A 60 8.586 -4.764 6.495 1.00 0.00 C ATOM 874 C GLY A 60 7.704 -3.619 6.039 1.00 0.00 C ATOM 875 O GLY A 60 6.831 -3.165 6.779 1.00 0.00 O ATOM 0 H GLY A 60 7.003 -5.588 7.592 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.565 -4.375 6.776 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.743 -5.451 5.664 1.00 0.00 H new ATOM 879 N PHE A 61 7.932 -3.149 4.817 1.00 0.00 N ATOM 880 CA PHE A 61 7.153 -2.047 4.263 1.00 0.00 C ATOM 881 C PHE A 61 7.162 -2.087 2.738 1.00 0.00 C ATOM 882 O PHE A 61 8.134 -2.525 2.123 1.00 0.00 O ATOM 883 CB PHE A 61 7.705 -0.707 4.753 1.00 0.00 C ATOM 884 CG PHE A 61 7.845 -0.627 6.247 1.00 0.00 C ATOM 885 CD1 PHE A 61 8.947 -1.174 6.883 1.00 0.00 C ATOM 886 CD2 PHE A 61 6.874 -0.004 7.014 1.00 0.00 C ATOM 887 CE1 PHE A 61 9.079 -1.101 8.257 1.00 0.00 C ATOM 888 CE2 PHE A 61 7.000 0.073 8.388 1.00 0.00 C ATOM 889 CZ PHE A 61 8.104 -0.478 9.011 1.00 0.00 C ATOM 0 H PHE A 61 8.650 -3.514 4.191 1.00 0.00 H new ATOM 0 HA PHE A 61 6.124 -2.155 4.605 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.679 -0.535 4.295 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.047 0.094 4.414 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.712 -1.663 6.299 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.008 0.427 6.532 1.00 0.00 H new ATOM 0 HE1 PHE A 61 9.944 -1.531 8.740 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.237 0.563 8.974 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.204 -0.421 10.085 1.00 0.00 H new ATOM 899 N VAL A 62 6.071 -1.626 2.133 1.00 0.00 N ATOM 900 CA VAL A 62 5.953 -1.608 0.680 1.00 0.00 C ATOM 901 C VAL A 62 5.619 -0.209 0.174 1.00 0.00 C ATOM 902 O VAL A 62 4.495 0.266 0.330 1.00 0.00 O ATOM 903 CB VAL A 62 4.871 -2.590 0.193 1.00 0.00 C ATOM 904 CG1 VAL A 62 4.714 -2.505 -1.317 1.00 0.00 C ATOM 905 CG2 VAL A 62 5.208 -4.010 0.623 1.00 0.00 C ATOM 0 H VAL A 62 5.257 -1.260 2.627 1.00 0.00 H new ATOM 0 HA VAL A 62 6.919 -1.916 0.279 1.00 0.00 H new ATOM 0 HB VAL A 62 3.921 -2.312 0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.945 -3.206 -1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.424 -1.492 -1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.660 -2.756 -1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.433 -4.691 0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.168 -4.301 0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.265 -4.057 1.710 1.00 0.00 H new ATOM 915 N GLU A 63 6.605 0.444 -0.434 1.00 0.00 N ATOM 916 CA GLU A 63 6.415 1.790 -0.963 1.00 0.00 C ATOM 917 C GLU A 63 5.764 1.745 -2.343 1.00 0.00 C ATOM 918 O GLU A 63 6.376 1.304 -3.316 1.00 0.00 O ATOM 919 CB GLU A 63 7.755 2.524 -1.043 1.00 0.00 C ATOM 920 CG GLU A 63 7.669 3.873 -1.737 1.00 0.00 C ATOM 921 CD GLU A 63 9.030 4.507 -1.949 1.00 0.00 C ATOM 922 OE1 GLU A 63 9.974 4.146 -1.215 1.00 0.00 O ATOM 923 OE2 GLU A 63 9.152 5.365 -2.849 1.00 0.00 O ATOM 0 H GLU A 63 7.541 0.064 -0.572 1.00 0.00 H new ATOM 0 HA GLU A 63 5.753 2.329 -0.285 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.142 2.668 -0.034 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.472 1.897 -1.573 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.175 3.751 -2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.048 4.544 -1.143 1.00 0.00 H new ATOM 930 N PHE A 64 4.520 2.204 -2.419 1.00 0.00 N ATOM 931 CA PHE A 64 3.784 2.215 -3.678 1.00 0.00 C ATOM 932 C PHE A 64 4.076 3.488 -4.467 1.00 0.00 C ATOM 933 O PHE A 64 4.567 4.475 -3.916 1.00 0.00 O ATOM 934 CB PHE A 64 2.282 2.096 -3.417 1.00 0.00 C ATOM 935 CG PHE A 64 1.820 0.682 -3.207 1.00 0.00 C ATOM 936 CD1 PHE A 64 1.488 -0.120 -4.288 1.00 0.00 C ATOM 937 CD2 PHE A 64 1.717 0.155 -1.930 1.00 0.00 C ATOM 938 CE1 PHE A 64 1.063 -1.421 -4.098 1.00 0.00 C ATOM 939 CE2 PHE A 64 1.293 -1.146 -1.735 1.00 0.00 C ATOM 940 CZ PHE A 64 0.964 -1.935 -2.820 1.00 0.00 C ATOM 0 H PHE A 64 4.000 2.574 -1.623 1.00 0.00 H new ATOM 0 HA PHE A 64 4.111 1.359 -4.269 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.026 2.688 -2.538 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.740 2.526 -4.259 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.562 0.277 -5.290 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.971 0.767 -1.077 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.808 -2.036 -4.949 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.219 -1.546 -0.734 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.630 -2.951 -2.669 1.00 0.00 H new ATOM 950 N LEU A 65 3.769 3.460 -5.759 1.00 0.00 N ATOM 951 CA LEU A 65 3.998 4.611 -6.625 1.00 0.00 C ATOM 952 C LEU A 65 3.080 5.768 -6.247 1.00 0.00 C ATOM 953 O LEU A 65 3.518 6.914 -6.142 1.00 0.00 O ATOM 954 CB LEU A 65 3.775 4.225 -8.089 1.00 0.00 C ATOM 955 CG LEU A 65 4.146 5.285 -9.126 1.00 0.00 C ATOM 956 CD1 LEU A 65 5.652 5.318 -9.341 1.00 0.00 C ATOM 957 CD2 LEU A 65 3.424 5.022 -10.440 1.00 0.00 C ATOM 0 H LEU A 65 3.361 2.653 -6.230 1.00 0.00 H new ATOM 0 HA LEU A 65 5.031 4.933 -6.494 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.351 3.324 -8.298 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.724 3.969 -8.220 1.00 0.00 H new ATOM 0 HG LEU A 65 3.832 6.259 -8.750 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.897 6.078 -10.082 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.149 5.555 -8.400 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.990 4.344 -9.695 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.700 5.786 -11.166 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.707 4.041 -10.821 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.347 5.050 -10.275 1.00 0.00 H new ATOM 969 N SER A 66 1.803 5.461 -6.041 1.00 0.00 N ATOM 970 CA SER A 66 0.822 6.476 -5.675 1.00 0.00 C ATOM 971 C SER A 66 0.163 6.138 -4.341 1.00 0.00 C ATOM 972 O SER A 66 -0.116 4.975 -4.052 1.00 0.00 O ATOM 973 CB SER A 66 -0.244 6.602 -6.766 1.00 0.00 C ATOM 974 OG SER A 66 0.350 6.754 -8.043 1.00 0.00 O ATOM 0 H SER A 66 1.424 4.518 -6.121 1.00 0.00 H new ATOM 0 HA SER A 66 1.342 7.429 -5.573 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.881 5.717 -6.761 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.885 7.458 -6.555 1.00 0.00 H new ATOM 0 HG SER A 66 -0.351 6.831 -8.723 1.00 0.00 H new ATOM 980 N GLU A 67 -0.083 7.165 -3.533 1.00 0.00 N ATOM 981 CA GLU A 67 -0.708 6.977 -2.229 1.00 0.00 C ATOM 982 C GLU A 67 -1.892 6.019 -2.326 1.00 0.00 C ATOM 983 O GLU A 67 -1.974 5.040 -1.585 1.00 0.00 O ATOM 984 CB GLU A 67 -1.171 8.321 -1.662 1.00 0.00 C ATOM 985 CG GLU A 67 -1.516 8.272 -0.183 1.00 0.00 C ATOM 986 CD GLU A 67 -2.019 9.602 0.343 1.00 0.00 C ATOM 987 OE1 GLU A 67 -1.561 10.650 -0.158 1.00 0.00 O ATOM 988 OE2 GLU A 67 -2.870 9.594 1.257 1.00 0.00 O ATOM 0 H GLU A 67 0.141 8.134 -3.758 1.00 0.00 H new ATOM 0 HA GLU A 67 0.034 6.544 -1.558 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.387 9.061 -1.819 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.045 8.659 -2.219 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.276 7.509 -0.016 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.634 7.972 0.382 1.00 0.00 H new ATOM 995 N GLU A 68 -2.808 6.310 -3.245 1.00 0.00 N ATOM 996 CA GLU A 68 -3.988 5.475 -3.438 1.00 0.00 C ATOM 997 C GLU A 68 -3.613 3.996 -3.445 1.00 0.00 C ATOM 998 O GLU A 68 -4.194 3.194 -2.714 1.00 0.00 O ATOM 999 CB GLU A 68 -4.689 5.841 -4.748 1.00 0.00 C ATOM 1000 CG GLU A 68 -5.084 7.305 -4.839 1.00 0.00 C ATOM 1001 CD GLU A 68 -6.161 7.555 -5.878 1.00 0.00 C ATOM 1002 OE1 GLU A 68 -5.874 7.386 -7.081 1.00 0.00 O ATOM 1003 OE2 GLU A 68 -7.289 7.921 -5.487 1.00 0.00 O ATOM 0 H GLU A 68 -2.756 7.117 -3.867 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.669 5.655 -2.606 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.031 5.599 -5.582 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.582 5.225 -4.857 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.438 7.643 -3.865 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.204 7.900 -5.083 1.00 0.00 H new ATOM 1010 N ASP A 69 -2.638 3.643 -4.275 1.00 0.00 N ATOM 1011 CA ASP A 69 -2.184 2.261 -4.378 1.00 0.00 C ATOM 1012 C ASP A 69 -1.960 1.658 -2.994 1.00 0.00 C ATOM 1013 O ASP A 69 -2.322 0.510 -2.740 1.00 0.00 O ATOM 1014 CB ASP A 69 -0.894 2.184 -5.196 1.00 0.00 C ATOM 1015 CG ASP A 69 -1.105 2.569 -6.647 1.00 0.00 C ATOM 1016 OD1 ASP A 69 -1.875 1.872 -7.339 1.00 0.00 O ATOM 1017 OD2 ASP A 69 -0.499 3.567 -7.091 1.00 0.00 O ATOM 0 H ASP A 69 -2.147 4.295 -4.887 1.00 0.00 H new ATOM 0 HA ASP A 69 -2.960 1.687 -4.884 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.147 2.843 -4.753 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.496 1.171 -5.146 1.00 0.00 H new ATOM 1022 N ALA A 70 -1.361 2.442 -2.103 1.00 0.00 N ATOM 1023 CA ALA A 70 -1.090 1.987 -0.745 1.00 0.00 C ATOM 1024 C ALA A 70 -2.383 1.650 -0.011 1.00 0.00 C ATOM 1025 O ALA A 70 -2.592 0.511 0.408 1.00 0.00 O ATOM 1026 CB ALA A 70 -0.306 3.043 0.019 1.00 0.00 C ATOM 0 H ALA A 70 -1.054 3.395 -2.298 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.490 1.079 -0.805 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.111 2.690 1.031 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.640 3.232 -0.488 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.885 3.966 0.062 1.00 0.00 H new ATOM 1032 N ASP A 71 -3.247 2.647 0.143 1.00 0.00 N ATOM 1033 CA ASP A 71 -4.520 2.456 0.828 1.00 0.00 C ATOM 1034 C ASP A 71 -5.232 1.208 0.314 1.00 0.00 C ATOM 1035 O ASP A 71 -5.847 0.471 1.085 1.00 0.00 O ATOM 1036 CB ASP A 71 -5.414 3.683 0.638 1.00 0.00 C ATOM 1037 CG ASP A 71 -6.749 3.541 1.344 1.00 0.00 C ATOM 1038 OD1 ASP A 71 -6.805 2.829 2.368 1.00 0.00 O ATOM 1039 OD2 ASP A 71 -7.737 4.143 0.872 1.00 0.00 O ATOM 0 H ASP A 71 -3.089 3.596 -0.197 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.317 2.325 1.891 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.899 4.566 1.015 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.584 3.844 -0.427 1.00 0.00 H new ATOM 1044 N TYR A 72 -5.144 0.979 -0.991 1.00 0.00 N ATOM 1045 CA TYR A 72 -5.782 -0.178 -1.608 1.00 0.00 C ATOM 1046 C TYR A 72 -5.169 -1.477 -1.095 1.00 0.00 C ATOM 1047 O TYR A 72 -5.872 -2.459 -0.861 1.00 0.00 O ATOM 1048 CB TYR A 72 -5.653 -0.106 -3.131 1.00 0.00 C ATOM 1049 CG TYR A 72 -6.514 -1.113 -3.859 1.00 0.00 C ATOM 1050 CD1 TYR A 72 -7.835 -0.824 -4.181 1.00 0.00 C ATOM 1051 CD2 TYR A 72 -6.007 -2.353 -4.228 1.00 0.00 C ATOM 1052 CE1 TYR A 72 -8.625 -1.741 -4.846 1.00 0.00 C ATOM 1053 CE2 TYR A 72 -6.790 -3.275 -4.895 1.00 0.00 C ATOM 1054 CZ TYR A 72 -8.098 -2.965 -5.201 1.00 0.00 C ATOM 1055 OH TYR A 72 -8.882 -3.881 -5.865 1.00 0.00 O ATOM 0 H TYR A 72 -4.637 1.579 -1.642 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.838 -0.165 -1.338 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -5.922 0.897 -3.463 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.611 -0.265 -3.407 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.251 0.134 -3.906 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.983 -2.600 -3.989 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -9.650 -1.501 -5.087 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.380 -4.234 -5.175 1.00 0.00 H new ATOM 0 HH TYR A 72 -8.360 -4.691 -6.043 1.00 0.00 H new ATOM 1065 N ALA A 73 -3.851 -1.473 -0.922 1.00 0.00 N ATOM 1066 CA ALA A 73 -3.141 -2.649 -0.434 1.00 0.00 C ATOM 1067 C ALA A 73 -3.410 -2.877 1.050 1.00 0.00 C ATOM 1068 O ALA A 73 -3.315 -4.002 1.542 1.00 0.00 O ATOM 1069 CB ALA A 73 -1.647 -2.506 -0.686 1.00 0.00 C ATOM 0 H ALA A 73 -3.254 -0.668 -1.113 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.509 -3.517 -0.980 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.129 -3.391 -0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.467 -2.400 -1.756 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.273 -1.624 -0.166 1.00 0.00 H new ATOM 1075 N ILE A 74 -3.745 -1.803 1.757 1.00 0.00 N ATOM 1076 CA ILE A 74 -4.029 -1.887 3.184 1.00 0.00 C ATOM 1077 C ILE A 74 -5.447 -2.388 3.435 1.00 0.00 C ATOM 1078 O ILE A 74 -5.779 -2.819 4.539 1.00 0.00 O ATOM 1079 CB ILE A 74 -3.849 -0.522 3.875 1.00 0.00 C ATOM 1080 CG1 ILE A 74 -2.479 0.069 3.537 1.00 0.00 C ATOM 1081 CG2 ILE A 74 -4.014 -0.665 5.381 1.00 0.00 C ATOM 1082 CD1 ILE A 74 -2.394 1.563 3.758 1.00 0.00 C ATOM 0 H ILE A 74 -3.826 -0.865 1.365 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.316 -2.596 3.606 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.617 0.159 3.508 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.720 -0.424 4.145 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.245 -0.150 2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.884 0.308 5.855 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.010 -1.047 5.603 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.266 -1.359 5.765 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.395 1.913 3.498 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.129 2.066 3.130 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.596 1.788 4.805 1.00 0.00 H new ATOM 1094 N LYS A 75 -6.280 -2.331 2.401 1.00 0.00 N ATOM 1095 CA LYS A 75 -7.662 -2.782 2.507 1.00 0.00 C ATOM 1096 C LYS A 75 -7.793 -4.241 2.082 1.00 0.00 C ATOM 1097 O LYS A 75 -8.705 -4.945 2.517 1.00 0.00 O ATOM 1098 CB LYS A 75 -8.573 -1.905 1.644 1.00 0.00 C ATOM 1099 CG LYS A 75 -8.826 -2.470 0.257 1.00 0.00 C ATOM 1100 CD LYS A 75 -9.452 -1.434 -0.661 1.00 0.00 C ATOM 1101 CE LYS A 75 -10.971 -1.478 -0.598 1.00 0.00 C ATOM 1102 NZ LYS A 75 -11.503 -0.656 0.524 1.00 0.00 N ATOM 0 H LYS A 75 -6.022 -1.977 1.480 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.967 -2.697 3.550 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.528 -1.775 2.154 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.126 -0.916 1.548 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.886 -2.818 -0.172 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.483 -3.337 0.330 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.104 -0.440 -0.380 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.124 -1.609 -1.686 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.384 -1.118 -1.540 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.300 -2.510 -0.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.482 -0.374 0.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.484 -1.213 1.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.915 0.194 0.641 1.00 0.00 H new ATOM 1116 N ILE A 76 -6.876 -4.689 1.231 1.00 0.00 N ATOM 1117 CA ILE A 76 -6.887 -6.065 0.750 1.00 0.00 C ATOM 1118 C ILE A 76 -5.821 -6.901 1.450 1.00 0.00 C ATOM 1119 O ILE A 76 -6.072 -8.038 1.849 1.00 0.00 O ATOM 1120 CB ILE A 76 -6.660 -6.132 -0.771 1.00 0.00 C ATOM 1121 CG1 ILE A 76 -5.243 -5.668 -1.118 1.00 0.00 C ATOM 1122 CG2 ILE A 76 -7.693 -5.284 -1.499 1.00 0.00 C ATOM 1123 CD1 ILE A 76 -4.981 -5.585 -2.605 1.00 0.00 C ATOM 0 H ILE A 76 -6.116 -4.119 0.860 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.872 -6.471 0.980 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.774 -7.166 -1.095 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.071 -4.689 -0.672 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.525 -6.354 -0.669 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.519 -5.342 -2.573 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.693 -5.655 -1.273 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.608 -4.247 -1.173 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.958 -5.250 -2.776 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.121 -6.568 -3.054 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.675 -4.877 -3.058 1.00 0.00 H new ATOM 1135 N MET A 77 -4.630 -6.329 1.596 1.00 0.00 N ATOM 1136 CA MET A 77 -3.526 -7.021 2.251 1.00 0.00 C ATOM 1137 C MET A 77 -3.627 -6.892 3.767 1.00 0.00 C ATOM 1138 O MET A 77 -2.618 -6.941 4.472 1.00 0.00 O ATOM 1139 CB MET A 77 -2.187 -6.460 1.767 1.00 0.00 C ATOM 1140 CG MET A 77 -2.142 -6.201 0.270 1.00 0.00 C ATOM 1141 SD MET A 77 -2.349 -7.706 -0.702 1.00 0.00 S ATOM 1142 CE MET A 77 -0.772 -7.783 -1.547 1.00 0.00 C ATOM 0 H MET A 77 -4.405 -5.389 1.270 1.00 0.00 H new ATOM 0 HA MET A 77 -3.585 -8.078 1.990 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.980 -5.529 2.295 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.393 -7.159 2.031 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.925 -5.491 0.004 1.00 0.00 H new ATOM 0 HG3 MET A 77 -1.190 -5.736 0.014 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.554 -8.816 -1.818 1.00 0.00 H new ATOM 0 HE2 MET A 77 -0.812 -7.172 -2.449 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.012 -7.408 -0.889 1.00 0.00 H new ATOM 1152 N ASP A 78 -4.848 -6.727 4.263 1.00 0.00 N ATOM 1153 CA ASP A 78 -5.080 -6.592 5.696 1.00 0.00 C ATOM 1154 C ASP A 78 -5.393 -7.945 6.326 1.00 0.00 C ATOM 1155 O ASP A 78 -6.172 -8.728 5.783 1.00 0.00 O ATOM 1156 CB ASP A 78 -6.227 -5.615 5.959 1.00 0.00 C ATOM 1157 CG ASP A 78 -7.580 -6.299 5.963 1.00 0.00 C ATOM 1158 OD1 ASP A 78 -7.889 -7.009 4.983 1.00 0.00 O ATOM 1159 OD2 ASP A 78 -8.329 -6.125 6.947 1.00 0.00 O ATOM 0 H ASP A 78 -5.693 -6.683 3.693 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.170 -6.202 6.151 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.069 -5.123 6.919 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.219 -4.836 5.197 1.00 0.00 H new ATOM 1164 N MET A 79 -4.780 -8.214 7.474 1.00 0.00 N ATOM 1165 CA MET A 79 -4.994 -9.474 8.178 1.00 0.00 C ATOM 1166 C MET A 79 -4.860 -10.658 7.226 1.00 0.00 C ATOM 1167 O MET A 79 -5.602 -11.635 7.328 1.00 0.00 O ATOM 1168 CB MET A 79 -6.376 -9.487 8.835 1.00 0.00 C ATOM 1169 CG MET A 79 -6.416 -8.781 10.181 1.00 0.00 C ATOM 1170 SD MET A 79 -5.326 -9.544 11.397 1.00 0.00 S ATOM 1171 CE MET A 79 -6.254 -9.268 12.904 1.00 0.00 C ATOM 0 H MET A 79 -4.131 -7.577 7.937 1.00 0.00 H new ATOM 0 HA MET A 79 -4.231 -9.564 8.951 1.00 0.00 H new ATOM 0 HB2 MET A 79 -7.093 -9.013 8.164 1.00 0.00 H new ATOM 0 HB3 MET A 79 -6.697 -10.520 8.966 1.00 0.00 H new ATOM 0 HG2 MET A 79 -6.132 -7.737 10.048 1.00 0.00 H new ATOM 0 HG3 MET A 79 -7.438 -8.787 10.560 1.00 0.00 H new ATOM 0 HE1 MET A 79 -5.707 -9.685 13.750 1.00 0.00 H new ATOM 0 HE2 MET A 79 -6.393 -8.197 13.055 1.00 0.00 H new ATOM 0 HE3 MET A 79 -7.227 -9.753 12.826 1.00 0.00 H new ATOM 1181 N ILE A 80 -3.910 -10.563 6.301 1.00 0.00 N ATOM 1182 CA ILE A 80 -3.679 -11.627 5.332 1.00 0.00 C ATOM 1183 C ILE A 80 -3.069 -12.855 5.999 1.00 0.00 C ATOM 1184 O ILE A 80 -2.388 -12.748 7.019 1.00 0.00 O ATOM 1185 CB ILE A 80 -2.752 -11.161 4.194 1.00 0.00 C ATOM 1186 CG1 ILE A 80 -3.546 -10.373 3.150 1.00 0.00 C ATOM 1187 CG2 ILE A 80 -2.060 -12.354 3.553 1.00 0.00 C ATOM 1188 CD1 ILE A 80 -2.876 -10.320 1.795 1.00 0.00 C ATOM 0 H ILE A 80 -3.288 -9.760 6.203 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.651 -11.889 4.913 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.989 -10.505 4.612 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.533 -10.822 3.041 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.697 -9.356 3.512 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.408 -12.009 2.750 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.466 -12.877 4.303 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.809 -13.033 3.145 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.495 -9.746 1.105 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.900 -9.843 1.890 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.749 -11.333 1.412 1.00 0.00 H new ATOM 1200 N LYS A 81 -3.316 -14.023 5.415 1.00 0.00 N ATOM 1201 CA LYS A 81 -2.789 -15.273 5.950 1.00 0.00 C ATOM 1202 C LYS A 81 -1.712 -15.845 5.034 1.00 0.00 C ATOM 1203 O LYS A 81 -2.000 -16.654 4.151 1.00 0.00 O ATOM 1204 CB LYS A 81 -3.918 -16.291 6.127 1.00 0.00 C ATOM 1205 CG LYS A 81 -4.566 -16.249 7.500 1.00 0.00 C ATOM 1206 CD LYS A 81 -5.136 -17.602 7.890 1.00 0.00 C ATOM 1207 CE LYS A 81 -5.884 -17.532 9.212 1.00 0.00 C ATOM 1208 NZ LYS A 81 -7.117 -16.705 9.109 1.00 0.00 N ATOM 0 H LYS A 81 -3.878 -14.130 4.571 1.00 0.00 H new ATOM 0 HA LYS A 81 -2.341 -15.064 6.921 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.680 -16.111 5.369 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -3.524 -17.292 5.951 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.830 -15.936 8.241 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.361 -15.503 7.505 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.809 -17.953 7.108 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.328 -18.330 7.966 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.148 -18.539 9.533 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.230 -17.115 9.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.716 -16.870 9.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.857 -15.699 9.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.640 -16.967 8.249 1.00 0.00 H new ATOM 1222 N LEU A 82 -0.472 -15.422 5.250 1.00 0.00 N ATOM 1223 CA LEU A 82 0.649 -15.894 4.445 1.00 0.00 C ATOM 1224 C LEU A 82 1.451 -16.952 5.196 1.00 0.00 C ATOM 1225 O LEU A 82 1.596 -16.885 6.416 1.00 0.00 O ATOM 1226 CB LEU A 82 1.557 -14.723 4.064 1.00 0.00 C ATOM 1227 CG LEU A 82 2.742 -15.060 3.159 1.00 0.00 C ATOM 1228 CD1 LEU A 82 2.257 -15.490 1.783 1.00 0.00 C ATOM 1229 CD2 LEU A 82 3.684 -13.870 3.046 1.00 0.00 C ATOM 0 H LEU A 82 -0.217 -14.753 5.976 1.00 0.00 H new ATOM 0 HA LEU A 82 0.249 -16.345 3.537 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.950 -13.965 3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.941 -14.274 4.980 1.00 0.00 H new ATOM 0 HG LEU A 82 3.290 -15.890 3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.114 -15.726 1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.624 -16.372 1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.685 -14.681 1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.521 -14.129 2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.148 -13.020 2.624 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.059 -13.607 4.035 1.00 0.00 H new ATOM 1241 N TYR A 83 1.972 -17.926 4.457 1.00 0.00 N ATOM 1242 CA TYR A 83 2.760 -18.998 5.053 1.00 0.00 C ATOM 1243 C TYR A 83 2.423 -19.166 6.531 1.00 0.00 C ATOM 1244 O TYR A 83 3.303 -19.119 7.390 1.00 0.00 O ATOM 1245 CB TYR A 83 4.254 -18.714 4.888 1.00 0.00 C ATOM 1246 CG TYR A 83 4.631 -18.238 3.503 1.00 0.00 C ATOM 1247 CD1 TYR A 83 4.232 -18.940 2.373 1.00 0.00 C ATOM 1248 CD2 TYR A 83 5.385 -17.084 3.326 1.00 0.00 C ATOM 1249 CE1 TYR A 83 4.575 -18.509 1.106 1.00 0.00 C ATOM 1250 CE2 TYR A 83 5.731 -16.645 2.062 1.00 0.00 C ATOM 1251 CZ TYR A 83 5.324 -17.361 0.956 1.00 0.00 C ATOM 1252 OH TYR A 83 5.666 -16.927 -0.304 1.00 0.00 O ATOM 0 H TYR A 83 1.863 -17.995 3.445 1.00 0.00 H new ATOM 0 HA TYR A 83 2.514 -19.925 4.536 1.00 0.00 H new ATOM 0 HB2 TYR A 83 4.555 -17.961 5.616 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.815 -19.620 5.117 1.00 0.00 H new ATOM 0 HD1 TYR A 83 3.643 -19.838 2.487 1.00 0.00 H new ATOM 0 HD2 TYR A 83 5.706 -16.521 4.190 1.00 0.00 H new ATOM 0 HE1 TYR A 83 4.258 -19.068 0.238 1.00 0.00 H new ATOM 0 HE2 TYR A 83 6.317 -15.746 1.941 1.00 0.00 H new ATOM 0 HH TYR A 83 4.973 -17.197 -0.942 1.00 0.00 H new ATOM 1262 N GLY A 84 1.140 -19.362 6.820 1.00 0.00 N ATOM 1263 CA GLY A 84 0.707 -19.534 8.195 1.00 0.00 C ATOM 1264 C GLY A 84 1.158 -18.398 9.091 1.00 0.00 C ATOM 1265 O GLY A 84 1.937 -18.604 10.023 1.00 0.00 O ATOM 0 H GLY A 84 0.393 -19.405 6.127 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.380 -19.606 8.224 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.099 -20.475 8.581 1.00 0.00 H new ATOM 1269 N LYS A 85 0.670 -17.195 8.810 1.00 0.00 N ATOM 1270 CA LYS A 85 1.027 -16.021 9.597 1.00 0.00 C ATOM 1271 C LYS A 85 0.142 -14.833 9.234 1.00 0.00 C ATOM 1272 O LYS A 85 0.212 -14.290 8.131 1.00 0.00 O ATOM 1273 CB LYS A 85 2.498 -15.661 9.376 1.00 0.00 C ATOM 1274 CG LYS A 85 3.443 -16.340 10.352 1.00 0.00 C ATOM 1275 CD LYS A 85 4.687 -15.503 10.598 1.00 0.00 C ATOM 1276 CE LYS A 85 4.499 -14.558 11.775 1.00 0.00 C ATOM 1277 NZ LYS A 85 3.899 -13.261 11.355 1.00 0.00 N ATOM 0 H LYS A 85 0.025 -17.007 8.042 1.00 0.00 H new ATOM 0 HA LYS A 85 0.872 -16.259 10.649 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.781 -15.934 8.359 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.616 -14.581 9.461 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.928 -16.514 11.297 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.731 -17.316 9.961 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.536 -16.159 10.789 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.923 -14.928 9.703 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.859 -15.030 12.521 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.462 -14.375 12.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.424 -12.478 11.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.949 -13.174 10.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.905 -13.224 11.658 1.00 0.00 H new ATOM 1291 N PRO A 86 -0.711 -14.417 10.182 1.00 0.00 N ATOM 1292 CA PRO A 86 -1.624 -13.287 9.985 1.00 0.00 C ATOM 1293 C PRO A 86 -0.889 -11.952 9.922 1.00 0.00 C ATOM 1294 O PRO A 86 -0.783 -11.244 10.923 1.00 0.00 O ATOM 1295 CB PRO A 86 -2.528 -13.342 11.219 1.00 0.00 C ATOM 1296 CG PRO A 86 -1.709 -14.029 12.258 1.00 0.00 C ATOM 1297 CD PRO A 86 -0.848 -15.017 11.520 1.00 0.00 C ATOM 0 HA PRO A 86 -2.164 -13.359 9.041 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -2.819 -12.342 11.541 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.447 -13.891 11.013 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.098 -13.314 12.809 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.345 -14.533 12.986 1.00 0.00 H new ATOM 0 HD2 PRO A 86 0.120 -15.146 12.004 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.315 -16.001 11.473 1.00 0.00 H new ATOM 1305 N ILE A 87 -0.385 -11.615 8.739 1.00 0.00 N ATOM 1306 CA ILE A 87 0.338 -10.364 8.546 1.00 0.00 C ATOM 1307 C ILE A 87 -0.583 -9.163 8.734 1.00 0.00 C ATOM 1308 O ILE A 87 -1.766 -9.216 8.397 1.00 0.00 O ATOM 1309 CB ILE A 87 0.976 -10.294 7.146 1.00 0.00 C ATOM 1310 CG1 ILE A 87 -0.108 -10.177 6.073 1.00 0.00 C ATOM 1311 CG2 ILE A 87 1.846 -11.517 6.898 1.00 0.00 C ATOM 1312 CD1 ILE A 87 0.411 -9.674 4.743 1.00 0.00 C ATOM 0 H ILE A 87 -0.464 -12.191 7.901 1.00 0.00 H new ATOM 0 HA ILE A 87 1.127 -10.335 9.298 1.00 0.00 H new ATOM 0 HB ILE A 87 1.608 -9.407 7.095 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.571 -11.153 5.928 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.888 -9.504 6.428 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.290 -11.452 5.904 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.637 -11.559 7.647 1.00 0.00 H new ATOM 0 HG23 ILE A 87 1.235 -12.417 6.965 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.411 -9.616 4.030 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.848 -8.684 4.874 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.170 -10.359 4.366 1.00 0.00 H new ATOM 1324 N ARG A 88 -0.031 -8.081 9.273 1.00 0.00 N ATOM 1325 CA ARG A 88 -0.802 -6.865 9.505 1.00 0.00 C ATOM 1326 C ARG A 88 -0.354 -5.749 8.565 1.00 0.00 C ATOM 1327 O ARG A 88 0.839 -5.578 8.312 1.00 0.00 O ATOM 1328 CB ARG A 88 -0.655 -6.412 10.958 1.00 0.00 C ATOM 1329 CG ARG A 88 -1.905 -5.757 11.522 1.00 0.00 C ATOM 1330 CD ARG A 88 -3.039 -6.759 11.673 1.00 0.00 C ATOM 1331 NE ARG A 88 -3.067 -7.359 13.004 1.00 0.00 N ATOM 1332 CZ ARG A 88 -3.378 -6.686 14.106 1.00 0.00 C ATOM 1333 NH1 ARG A 88 -3.686 -5.399 14.037 1.00 0.00 N ATOM 1334 NH2 ARG A 88 -3.381 -7.302 15.282 1.00 0.00 N ATOM 0 H ARG A 88 0.947 -8.021 9.557 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.850 -7.086 9.305 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.397 -7.274 11.574 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.176 -5.710 11.028 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.679 -5.313 12.491 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.220 -4.946 10.866 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.990 -6.262 11.480 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.931 -7.544 10.924 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.835 -8.348 13.092 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.685 -4.922 13.135 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.924 -4.885 14.885 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.144 -8.293 15.339 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.620 -6.785 16.128 1.00 0.00 H new ATOM 1348 N VAL A 89 -1.318 -4.993 8.051 1.00 0.00 N ATOM 1349 CA VAL A 89 -1.024 -3.893 7.140 1.00 0.00 C ATOM 1350 C VAL A 89 -1.822 -2.647 7.506 1.00 0.00 C ATOM 1351 O VAL A 89 -3.020 -2.721 7.775 1.00 0.00 O ATOM 1352 CB VAL A 89 -1.332 -4.276 5.680 1.00 0.00 C ATOM 1353 CG1 VAL A 89 -1.027 -3.114 4.747 1.00 0.00 C ATOM 1354 CG2 VAL A 89 -0.546 -5.514 5.277 1.00 0.00 C ATOM 0 H VAL A 89 -2.310 -5.122 8.250 1.00 0.00 H new ATOM 0 HA VAL A 89 0.041 -3.680 7.235 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.394 -4.506 5.600 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.251 -3.403 3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.639 -2.255 5.023 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.027 -2.850 4.828 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.776 -5.770 4.243 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.521 -5.315 5.373 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.819 -6.346 5.926 1.00 0.00 H new ATOM 1364 N ASN A 90 -1.148 -1.501 7.515 1.00 0.00 N ATOM 1365 CA ASN A 90 -1.794 -0.237 7.850 1.00 0.00 C ATOM 1366 C ASN A 90 -0.994 0.943 7.307 1.00 0.00 C ATOM 1367 O ASN A 90 0.167 0.797 6.925 1.00 0.00 O ATOM 1368 CB ASN A 90 -1.952 -0.107 9.366 1.00 0.00 C ATOM 1369 CG ASN A 90 -2.594 1.207 9.769 1.00 0.00 C ATOM 1370 OD1 ASN A 90 -3.519 1.686 9.112 1.00 0.00 O ATOM 1371 ND2 ASN A 90 -2.106 1.795 10.854 1.00 0.00 N ATOM 0 H ASN A 90 -0.155 -1.422 7.294 1.00 0.00 H new ATOM 0 HA ASN A 90 -2.781 -0.228 7.387 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -2.558 -0.933 9.738 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -0.974 -0.191 9.839 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.498 2.680 11.174 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.339 1.362 11.367 1.00 0.00 H new ATOM 1378 N LYS A 91 -1.623 2.113 7.277 1.00 0.00 N ATOM 1379 CA LYS A 91 -0.970 3.320 6.783 1.00 0.00 C ATOM 1380 C LYS A 91 0.266 3.648 7.613 1.00 0.00 C ATOM 1381 O LYS A 91 0.180 3.835 8.826 1.00 0.00 O ATOM 1382 CB LYS A 91 -1.945 4.500 6.813 1.00 0.00 C ATOM 1383 CG LYS A 91 -2.926 4.507 5.653 1.00 0.00 C ATOM 1384 CD LYS A 91 -2.300 5.087 4.396 1.00 0.00 C ATOM 1385 CE LYS A 91 -2.286 6.608 4.432 1.00 0.00 C ATOM 1386 NZ LYS A 91 -3.650 7.180 4.263 1.00 0.00 N ATOM 0 H LYS A 91 -2.584 2.251 7.589 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.658 3.140 5.754 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.502 4.476 7.749 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.377 5.430 6.803 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.265 3.490 5.456 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.807 5.089 5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.281 4.715 4.291 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.855 4.748 3.522 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.866 6.945 5.380 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.634 6.984 3.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.576 8.193 4.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.139 6.689 3.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.189 7.058 5.144 1.00 0.00 H new ATOM 1400 N ALA A 92 1.416 3.718 6.951 1.00 0.00 N ATOM 1401 CA ALA A 92 2.670 4.027 7.627 1.00 0.00 C ATOM 1402 C ALA A 92 2.562 5.328 8.416 1.00 0.00 C ATOM 1403 O ALA A 92 3.149 5.465 9.489 1.00 0.00 O ATOM 1404 CB ALA A 92 3.807 4.112 6.620 1.00 0.00 C ATOM 0 H ALA A 92 1.505 3.565 5.947 1.00 0.00 H new ATOM 0 HA ALA A 92 2.882 3.222 8.330 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.737 4.343 7.140 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.908 3.157 6.104 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.592 4.896 5.894 1.00 0.00 H new