USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=14 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= -2.42 K(o=-7.3,f=-12!) USER MOD Set 1.2: A 77 MET CE :methyl 164:sc= -4.9! (180deg=-4.83!) USER MOD Single : A 17 THR OG1 : rot 27:sc= 0.125 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 58:sc= 0.252 USER MOD Single : A 44 ASN : amide:sc= -0.771 K(o=-0.77,f=-1.7) USER MOD Single : A 45 THR OG1 : rot -149:sc= 0.0083 USER MOD Single : A 46 HIS : no HD1:sc= -0.0251 X(o=-0.025,f=-0.28) USER MOD Single : A 47 MET CE :methyl -127:sc= -0.331 (180deg=-0.475) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 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+ -168:sc= 0 (180deg=-0.0582) USER MOD Single : A 79 MET CE :methyl -140:sc= -0.257 (180deg=-2.55!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 30:sc= -0.239 USER MOD Single : A 85 LYS NZ :NH3+ 151:sc= 0.419 (180deg=0.106) USER MOD Single : A 90 ASN : amide:sc= -1.53 K(o=-1.5,f=-2.2!) USER MOD Single : A 91 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0179) USER MOD ----------------------------------------------------------------- ATOM 202 N THR A 17 3.790 4.516 1.600 1.00 0.00 N ATOM 203 CA THR A 17 4.328 3.257 2.100 1.00 0.00 C ATOM 204 C THR A 17 3.337 2.568 3.032 1.00 0.00 C ATOM 205 O THR A 17 2.494 3.218 3.648 1.00 0.00 O ATOM 206 CB THR A 17 5.656 3.472 2.850 1.00 0.00 C ATOM 207 OG1 THR A 17 6.587 4.162 2.009 1.00 0.00 O ATOM 208 CG2 THR A 17 6.251 2.143 3.290 1.00 0.00 C ATOM 0 HA THR A 17 4.508 2.623 1.232 1.00 0.00 H new ATOM 0 HB THR A 17 5.454 4.072 3.737 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.098 4.703 1.355 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.188 2.321 3.817 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.552 1.633 3.953 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.439 1.521 2.415 1.00 0.00 H new ATOM 216 N VAL A 18 3.446 1.246 3.130 1.00 0.00 N ATOM 217 CA VAL A 18 2.561 0.469 3.988 1.00 0.00 C ATOM 218 C VAL A 18 3.329 -0.157 5.147 1.00 0.00 C ATOM 219 O VAL A 18 4.490 -0.538 5.002 1.00 0.00 O ATOM 220 CB VAL A 18 1.849 -0.645 3.198 1.00 0.00 C ATOM 221 CG1 VAL A 18 1.430 -0.142 1.825 1.00 0.00 C ATOM 222 CG2 VAL A 18 2.745 -1.868 3.076 1.00 0.00 C ATOM 0 H VAL A 18 4.138 0.692 2.626 1.00 0.00 H new ATOM 0 HA VAL A 18 1.815 1.160 4.381 1.00 0.00 H new ATOM 0 HB VAL A 18 0.950 -0.935 3.742 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.929 -0.943 1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.749 0.701 1.939 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.312 0.177 1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.226 -2.645 2.515 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.663 -1.596 2.555 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.989 -2.241 4.071 1.00 0.00 H new ATOM 232 N TYR A 19 2.672 -0.260 6.298 1.00 0.00 N ATOM 233 CA TYR A 19 3.294 -0.838 7.483 1.00 0.00 C ATOM 234 C TYR A 19 2.938 -2.315 7.620 1.00 0.00 C ATOM 235 O TYR A 19 1.836 -2.664 8.045 1.00 0.00 O ATOM 236 CB TYR A 19 2.855 -0.078 8.736 1.00 0.00 C ATOM 237 CG TYR A 19 3.617 -0.473 9.981 1.00 0.00 C ATOM 238 CD1 TYR A 19 3.546 -1.768 10.481 1.00 0.00 C ATOM 239 CD2 TYR A 19 4.406 0.448 10.659 1.00 0.00 C ATOM 240 CE1 TYR A 19 4.239 -2.133 11.619 1.00 0.00 C ATOM 241 CE2 TYR A 19 5.104 0.091 11.796 1.00 0.00 C ATOM 242 CZ TYR A 19 5.017 -1.201 12.272 1.00 0.00 C ATOM 243 OH TYR A 19 5.710 -1.560 13.406 1.00 0.00 O ATOM 0 H TYR A 19 1.710 0.049 6.435 1.00 0.00 H new ATOM 0 HA TYR A 19 4.375 -0.752 7.373 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.983 0.991 8.566 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.791 -0.250 8.901 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.939 -2.501 9.971 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.475 1.461 10.290 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.172 -3.143 11.995 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.714 0.819 12.310 1.00 0.00 H new ATOM 0 HH TYR A 19 6.210 -0.787 13.742 1.00 0.00 H new ATOM 253 N VAL A 20 3.879 -3.180 7.255 1.00 0.00 N ATOM 254 CA VAL A 20 3.667 -4.620 7.338 1.00 0.00 C ATOM 255 C VAL A 20 4.147 -5.170 8.677 1.00 0.00 C ATOM 256 O VAL A 20 5.276 -4.917 9.095 1.00 0.00 O ATOM 257 CB VAL A 20 4.395 -5.361 6.201 1.00 0.00 C ATOM 258 CG1 VAL A 20 4.133 -6.857 6.284 1.00 0.00 C ATOM 259 CG2 VAL A 20 3.968 -4.811 4.848 1.00 0.00 C ATOM 0 H VAL A 20 4.795 -2.908 6.899 1.00 0.00 H new ATOM 0 HA VAL A 20 2.594 -4.788 7.243 1.00 0.00 H new ATOM 0 HB VAL A 20 5.467 -5.198 6.313 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.656 -7.363 5.473 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.493 -7.237 7.240 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.063 -7.044 6.199 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.492 -5.346 4.056 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.893 -4.942 4.725 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.213 -3.750 4.793 1.00 0.00 H new ATOM 269 N GLY A 21 3.281 -5.926 9.345 1.00 0.00 N ATOM 270 CA GLY A 21 3.635 -6.501 10.629 1.00 0.00 C ATOM 271 C GLY A 21 3.109 -7.913 10.797 1.00 0.00 C ATOM 272 O GLY A 21 1.899 -8.135 10.813 1.00 0.00 O ATOM 0 H GLY A 21 2.341 -6.150 9.020 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.720 -6.506 10.735 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.240 -5.872 11.427 1.00 0.00 H new ATOM 276 N GLY A 22 4.022 -8.872 10.920 1.00 0.00 N ATOM 277 CA GLY A 22 3.625 -10.258 11.084 1.00 0.00 C ATOM 278 C GLY A 22 4.007 -11.115 9.893 1.00 0.00 C ATOM 279 O GLY A 22 3.165 -11.811 9.324 1.00 0.00 O ATOM 0 H GLY A 22 5.030 -8.713 10.909 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.091 -10.662 11.983 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.546 -10.309 11.233 1.00 0.00 H new ATOM 283 N LEU A 23 5.278 -11.064 9.513 1.00 0.00 N ATOM 284 CA LEU A 23 5.770 -11.841 8.381 1.00 0.00 C ATOM 285 C LEU A 23 6.542 -13.068 8.856 1.00 0.00 C ATOM 286 O LEU A 23 7.194 -13.038 9.899 1.00 0.00 O ATOM 287 CB LEU A 23 6.665 -10.974 7.493 1.00 0.00 C ATOM 288 CG LEU A 23 6.020 -9.712 6.919 1.00 0.00 C ATOM 289 CD1 LEU A 23 7.069 -8.829 6.261 1.00 0.00 C ATOM 290 CD2 LEU A 23 4.928 -10.076 5.924 1.00 0.00 C ATOM 0 H LEU A 23 5.987 -10.493 9.972 1.00 0.00 H new ATOM 0 HA LEU A 23 4.910 -12.178 7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.541 -10.679 8.071 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.021 -11.585 6.664 1.00 0.00 H new ATOM 0 HG LEU A 23 5.566 -9.154 7.738 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.592 -7.936 5.858 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.816 -8.539 7.000 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.552 -9.378 5.453 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.480 -9.165 5.526 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.358 -10.656 5.107 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.162 -10.668 6.425 1.00 0.00 H new ATOM 302 N ASP A 24 6.464 -14.145 8.082 1.00 0.00 N ATOM 303 CA ASP A 24 7.158 -15.382 8.422 1.00 0.00 C ATOM 304 C ASP A 24 8.544 -15.420 7.787 1.00 0.00 C ATOM 305 O ASP A 24 8.795 -14.754 6.783 1.00 0.00 O ATOM 306 CB ASP A 24 6.341 -16.592 7.966 1.00 0.00 C ATOM 307 CG ASP A 24 6.896 -17.899 8.498 1.00 0.00 C ATOM 308 OD1 ASP A 24 7.617 -17.867 9.517 1.00 0.00 O ATOM 309 OD2 ASP A 24 6.608 -18.954 7.895 1.00 0.00 O ATOM 0 H ASP A 24 5.928 -14.187 7.215 1.00 0.00 H new ATOM 0 HA ASP A 24 7.274 -15.419 9.505 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.309 -16.476 8.299 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.323 -16.625 6.877 1.00 0.00 H new ATOM 314 N GLU A 25 9.440 -16.203 8.379 1.00 0.00 N ATOM 315 CA GLU A 25 10.801 -16.326 7.871 1.00 0.00 C ATOM 316 C GLU A 25 10.808 -16.401 6.347 1.00 0.00 C ATOM 317 O GLU A 25 11.624 -15.758 5.685 1.00 0.00 O ATOM 318 CB GLU A 25 11.478 -17.566 8.457 1.00 0.00 C ATOM 319 CG GLU A 25 10.795 -18.869 8.078 1.00 0.00 C ATOM 320 CD GLU A 25 11.118 -19.998 9.037 1.00 0.00 C ATOM 321 OE1 GLU A 25 12.153 -20.669 8.837 1.00 0.00 O ATOM 322 OE2 GLU A 25 10.336 -20.212 9.987 1.00 0.00 O ATOM 0 H GLU A 25 9.248 -16.762 9.211 1.00 0.00 H new ATOM 0 HA GLU A 25 11.357 -15.440 8.176 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.514 -17.597 8.120 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.499 -17.479 9.543 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.716 -18.716 8.054 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.099 -19.155 7.071 1.00 0.00 H new ATOM 329 N LYS A 26 9.894 -17.193 5.795 1.00 0.00 N ATOM 330 CA LYS A 26 9.793 -17.353 4.350 1.00 0.00 C ATOM 331 C LYS A 26 9.743 -15.997 3.653 1.00 0.00 C ATOM 332 O LYS A 26 10.524 -15.728 2.740 1.00 0.00 O ATOM 333 CB LYS A 26 8.547 -18.167 3.993 1.00 0.00 C ATOM 334 CG LYS A 26 8.742 -19.668 4.127 1.00 0.00 C ATOM 335 CD LYS A 26 7.499 -20.432 3.700 1.00 0.00 C ATOM 336 CE LYS A 26 7.399 -20.532 2.186 1.00 0.00 C ATOM 337 NZ LYS A 26 8.230 -21.645 1.648 1.00 0.00 N ATOM 0 H LYS A 26 9.213 -17.734 6.328 1.00 0.00 H new ATOM 0 HA LYS A 26 10.680 -17.885 4.006 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.724 -17.857 4.637 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.254 -17.937 2.969 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.590 -19.981 3.518 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.984 -19.914 5.161 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.520 -21.433 4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.612 -19.934 4.092 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.358 -20.685 1.900 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.718 -19.591 1.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.135 -21.680 0.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.227 -21.487 1.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.909 -22.546 2.056 1.00 0.00 H new ATOM 351 N VAL A 27 8.822 -15.145 4.092 1.00 0.00 N ATOM 352 CA VAL A 27 8.673 -13.815 3.512 1.00 0.00 C ATOM 353 C VAL A 27 10.029 -13.213 3.164 1.00 0.00 C ATOM 354 O VAL A 27 11.002 -13.379 3.900 1.00 0.00 O ATOM 355 CB VAL A 27 7.932 -12.865 4.471 1.00 0.00 C ATOM 356 CG1 VAL A 27 8.019 -11.430 3.974 1.00 0.00 C ATOM 357 CG2 VAL A 27 6.482 -13.295 4.632 1.00 0.00 C ATOM 0 H VAL A 27 8.168 -15.352 4.847 1.00 0.00 H new ATOM 0 HA VAL A 27 8.086 -13.930 2.601 1.00 0.00 H new ATOM 0 HB VAL A 27 8.413 -12.916 5.448 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.490 -10.773 4.664 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.065 -11.128 3.915 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.565 -11.359 2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.974 -12.613 5.313 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.987 -13.275 3.661 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.445 -14.306 5.037 1.00 0.00 H new ATOM 367 N SER A 28 10.087 -12.511 2.036 1.00 0.00 N ATOM 368 CA SER A 28 11.326 -11.886 1.588 1.00 0.00 C ATOM 369 C SER A 28 11.057 -10.498 1.014 1.00 0.00 C ATOM 370 O SER A 28 9.906 -10.086 0.874 1.00 0.00 O ATOM 371 CB SER A 28 12.013 -12.760 0.537 1.00 0.00 C ATOM 372 OG SER A 28 12.400 -14.008 1.086 1.00 0.00 O ATOM 0 H SER A 28 9.291 -12.361 1.416 1.00 0.00 H new ATOM 0 HA SER A 28 11.984 -11.783 2.451 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.338 -12.922 -0.303 1.00 0.00 H new ATOM 0 HB3 SER A 28 12.890 -12.243 0.146 1.00 0.00 H new ATOM 0 HG SER A 28 11.611 -14.467 1.444 1.00 0.00 H new ATOM 378 N GLU A 29 12.128 -9.783 0.683 1.00 0.00 N ATOM 379 CA GLU A 29 12.007 -8.441 0.125 1.00 0.00 C ATOM 380 C GLU A 29 11.347 -8.481 -1.250 1.00 0.00 C ATOM 381 O GLU A 29 10.330 -7.833 -1.498 1.00 0.00 O ATOM 382 CB GLU A 29 13.384 -7.782 0.023 1.00 0.00 C ATOM 383 CG GLU A 29 13.752 -6.951 1.241 1.00 0.00 C ATOM 384 CD GLU A 29 15.246 -6.929 1.502 1.00 0.00 C ATOM 385 OE1 GLU A 29 16.018 -6.866 0.522 1.00 0.00 O ATOM 386 OE2 GLU A 29 15.643 -6.974 2.685 1.00 0.00 O ATOM 0 H GLU A 29 13.088 -10.110 0.791 1.00 0.00 H new ATOM 0 HA GLU A 29 11.379 -7.852 0.793 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.138 -8.556 -0.120 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.408 -7.146 -0.862 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.396 -5.930 1.101 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.240 -7.350 2.117 1.00 0.00 H new ATOM 393 N PRO A 30 11.939 -9.261 -2.167 1.00 0.00 N ATOM 394 CA PRO A 30 11.427 -9.404 -3.533 1.00 0.00 C ATOM 395 C PRO A 30 10.113 -10.178 -3.581 1.00 0.00 C ATOM 396 O PRO A 30 9.575 -10.442 -4.658 1.00 0.00 O ATOM 397 CB PRO A 30 12.533 -10.185 -4.247 1.00 0.00 C ATOM 398 CG PRO A 30 13.227 -10.936 -3.163 1.00 0.00 C ATOM 399 CD PRO A 30 13.154 -10.062 -1.942 1.00 0.00 C ATOM 0 HA PRO A 30 11.206 -8.439 -3.988 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.120 -10.861 -4.995 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.219 -9.515 -4.766 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.745 -11.897 -2.984 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.262 -11.144 -3.433 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.082 -10.653 -1.029 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.038 -9.432 -1.845 1.00 0.00 H new ATOM 407 N LEU A 31 9.601 -10.538 -2.410 1.00 0.00 N ATOM 408 CA LEU A 31 8.349 -11.282 -2.318 1.00 0.00 C ATOM 409 C LEU A 31 7.163 -10.334 -2.173 1.00 0.00 C ATOM 410 O LEU A 31 6.151 -10.479 -2.861 1.00 0.00 O ATOM 411 CB LEU A 31 8.393 -12.248 -1.133 1.00 0.00 C ATOM 412 CG LEU A 31 7.136 -13.089 -0.906 1.00 0.00 C ATOM 413 CD1 LEU A 31 6.885 -14.004 -2.094 1.00 0.00 C ATOM 414 CD2 LEU A 31 7.260 -13.898 0.377 1.00 0.00 C ATOM 0 H LEU A 31 10.033 -10.327 -1.510 1.00 0.00 H new ATOM 0 HA LEU A 31 8.224 -11.852 -3.239 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.238 -12.923 -1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.590 -11.673 -0.228 1.00 0.00 H new ATOM 0 HG LEU A 31 6.284 -12.416 -0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.987 -14.595 -1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.751 -13.404 -2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.737 -14.671 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.357 -14.490 0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.122 -14.562 0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.391 -13.222 1.222 1.00 0.00 H new ATOM 426 N LEU A 32 7.294 -9.363 -1.276 1.00 0.00 N ATOM 427 CA LEU A 32 6.234 -8.389 -1.042 1.00 0.00 C ATOM 428 C LEU A 32 5.933 -7.597 -2.310 1.00 0.00 C ATOM 429 O LEU A 32 4.775 -7.311 -2.616 1.00 0.00 O ATOM 430 CB LEU A 32 6.629 -7.436 0.087 1.00 0.00 C ATOM 431 CG LEU A 32 7.280 -8.079 1.311 1.00 0.00 C ATOM 432 CD1 LEU A 32 7.714 -7.015 2.307 1.00 0.00 C ATOM 433 CD2 LEU A 32 6.325 -9.067 1.966 1.00 0.00 C ATOM 0 H LEU A 32 8.124 -9.229 -0.699 1.00 0.00 H new ATOM 0 HA LEU A 32 5.334 -8.931 -0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.316 -6.692 -0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.737 -6.902 0.413 1.00 0.00 H new ATOM 0 HG LEU A 32 8.166 -8.623 0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.175 -7.492 3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.434 -6.346 1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.844 -6.442 2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.805 -9.515 2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.421 -8.546 2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.064 -9.849 1.252 1.00 0.00 H new ATOM 445 N TRP A 33 6.982 -7.246 -3.045 1.00 0.00 N ATOM 446 CA TRP A 33 6.830 -6.488 -4.282 1.00 0.00 C ATOM 447 C TRP A 33 5.695 -7.052 -5.130 1.00 0.00 C ATOM 448 O TRP A 33 4.639 -6.434 -5.259 1.00 0.00 O ATOM 449 CB TRP A 33 8.135 -6.506 -5.079 1.00 0.00 C ATOM 450 CG TRP A 33 8.283 -5.335 -6.003 1.00 0.00 C ATOM 451 CD1 TRP A 33 7.343 -4.849 -6.866 1.00 0.00 C ATOM 452 CD2 TRP A 33 9.439 -4.506 -6.158 1.00 0.00 C ATOM 453 NE1 TRP A 33 7.845 -3.767 -7.548 1.00 0.00 N ATOM 454 CE2 TRP A 33 9.129 -3.536 -7.131 1.00 0.00 C ATOM 455 CE3 TRP A 33 10.706 -4.487 -5.568 1.00 0.00 C ATOM 456 CZ2 TRP A 33 10.041 -2.560 -7.526 1.00 0.00 C ATOM 457 CZ3 TRP A 33 11.609 -3.518 -5.961 1.00 0.00 C ATOM 458 CH2 TRP A 33 11.273 -2.565 -6.932 1.00 0.00 C ATOM 0 H TRP A 33 7.947 -7.474 -2.806 1.00 0.00 H new ATOM 0 HA TRP A 33 6.586 -5.458 -4.020 1.00 0.00 H new ATOM 0 HB2 TRP A 33 8.976 -6.521 -4.385 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.185 -7.427 -5.660 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.351 -5.255 -6.994 1.00 0.00 H new ATOM 0 HE1 TRP A 33 7.343 -3.224 -8.251 1.00 0.00 H new ATOM 0 HE3 TRP A 33 10.974 -5.217 -4.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 9.784 -1.825 -8.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 12.591 -3.495 -5.512 1.00 0.00 H new ATOM 0 HH2 TRP A 33 12.001 -1.820 -7.217 1.00 0.00 H new ATOM 469 N GLU A 34 5.920 -8.229 -5.706 1.00 0.00 N ATOM 470 CA GLU A 34 4.914 -8.875 -6.541 1.00 0.00 C ATOM 471 C GLU A 34 3.639 -9.145 -5.748 1.00 0.00 C ATOM 472 O GLU A 34 2.532 -8.896 -6.227 1.00 0.00 O ATOM 473 CB GLU A 34 5.460 -10.185 -7.113 1.00 0.00 C ATOM 474 CG GLU A 34 6.316 -9.998 -8.354 1.00 0.00 C ATOM 475 CD GLU A 34 6.832 -11.311 -8.910 1.00 0.00 C ATOM 476 OE1 GLU A 34 6.028 -12.060 -9.504 1.00 0.00 O ATOM 477 OE2 GLU A 34 8.039 -11.590 -8.751 1.00 0.00 O ATOM 0 H GLU A 34 6.789 -8.754 -5.610 1.00 0.00 H new ATOM 0 HA GLU A 34 4.673 -8.200 -7.362 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.051 -10.688 -6.347 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.625 -10.842 -7.354 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.732 -9.488 -9.120 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.161 -9.352 -8.114 1.00 0.00 H new ATOM 484 N LEU A 35 3.803 -9.656 -4.533 1.00 0.00 N ATOM 485 CA LEU A 35 2.665 -9.960 -3.672 1.00 0.00 C ATOM 486 C LEU A 35 1.786 -8.730 -3.475 1.00 0.00 C ATOM 487 O LEU A 35 0.578 -8.844 -3.265 1.00 0.00 O ATOM 488 CB LEU A 35 3.151 -10.476 -2.316 1.00 0.00 C ATOM 489 CG LEU A 35 2.102 -10.533 -1.205 1.00 0.00 C ATOM 490 CD1 LEU A 35 1.165 -11.713 -1.415 1.00 0.00 C ATOM 491 CD2 LEU A 35 2.773 -10.619 0.158 1.00 0.00 C ATOM 0 H LEU A 35 4.712 -9.868 -4.122 1.00 0.00 H new ATOM 0 HA LEU A 35 2.070 -10.734 -4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.558 -11.477 -2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.972 -9.842 -1.981 1.00 0.00 H new ATOM 0 HG LEU A 35 1.513 -9.617 -1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.425 -11.737 -0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.658 -11.609 -2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.739 -12.639 -1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.011 -10.659 0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.387 -11.518 0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.402 -9.742 0.310 1.00 0.00 H new ATOM 503 N PHE A 36 2.399 -7.553 -3.547 1.00 0.00 N ATOM 504 CA PHE A 36 1.672 -6.300 -3.378 1.00 0.00 C ATOM 505 C PHE A 36 1.245 -5.733 -4.728 1.00 0.00 C ATOM 506 O PHE A 36 0.203 -5.086 -4.841 1.00 0.00 O ATOM 507 CB PHE A 36 2.537 -5.280 -2.634 1.00 0.00 C ATOM 508 CG PHE A 36 2.387 -5.343 -1.141 1.00 0.00 C ATOM 509 CD1 PHE A 36 2.859 -6.435 -0.429 1.00 0.00 C ATOM 510 CD2 PHE A 36 1.775 -4.311 -0.448 1.00 0.00 C ATOM 511 CE1 PHE A 36 2.722 -6.495 0.945 1.00 0.00 C ATOM 512 CE2 PHE A 36 1.636 -4.366 0.926 1.00 0.00 C ATOM 513 CZ PHE A 36 2.111 -5.459 1.623 1.00 0.00 C ATOM 0 H PHE A 36 3.398 -7.441 -3.721 1.00 0.00 H new ATOM 0 HA PHE A 36 0.777 -6.505 -2.790 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.583 -5.444 -2.893 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.278 -4.278 -2.975 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.339 -7.248 -0.954 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.402 -3.453 -0.988 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.093 -7.352 1.488 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.156 -3.555 1.454 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.005 -5.504 2.697 1.00 0.00 H new ATOM 523 N LEU A 37 2.057 -5.979 -5.750 1.00 0.00 N ATOM 524 CA LEU A 37 1.765 -5.493 -7.094 1.00 0.00 C ATOM 525 C LEU A 37 0.271 -5.573 -7.389 1.00 0.00 C ATOM 526 O LEU A 37 -0.283 -4.713 -8.072 1.00 0.00 O ATOM 527 CB LEU A 37 2.545 -6.303 -8.131 1.00 0.00 C ATOM 528 CG LEU A 37 4.005 -5.897 -8.339 1.00 0.00 C ATOM 529 CD1 LEU A 37 4.689 -6.846 -9.311 1.00 0.00 C ATOM 530 CD2 LEU A 37 4.094 -4.463 -8.840 1.00 0.00 C ATOM 0 H LEU A 37 2.923 -6.512 -5.674 1.00 0.00 H new ATOM 0 HA LEU A 37 2.073 -4.449 -7.151 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.519 -7.352 -7.838 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.027 -6.226 -9.087 1.00 0.00 H new ATOM 0 HG LEU A 37 4.519 -5.958 -7.380 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.727 -6.542 -9.447 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.657 -7.860 -8.913 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.174 -6.817 -10.271 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.140 -4.192 -8.982 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.564 -4.375 -9.789 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.642 -3.793 -8.109 1.00 0.00 H new ATOM 542 N GLN A 38 -0.375 -6.612 -6.868 1.00 0.00 N ATOM 543 CA GLN A 38 -1.806 -6.802 -7.075 1.00 0.00 C ATOM 544 C GLN A 38 -2.581 -5.539 -6.717 1.00 0.00 C ATOM 545 O GLN A 38 -3.450 -5.098 -7.469 1.00 0.00 O ATOM 546 CB GLN A 38 -2.311 -7.979 -6.238 1.00 0.00 C ATOM 547 CG GLN A 38 -1.599 -8.127 -4.904 1.00 0.00 C ATOM 548 CD GLN A 38 -2.297 -9.100 -3.974 1.00 0.00 C ATOM 549 OE1 GLN A 38 -3.020 -8.696 -3.063 1.00 0.00 O ATOM 550 NE2 GLN A 38 -2.084 -10.391 -4.199 1.00 0.00 N ATOM 0 H GLN A 38 0.069 -7.334 -6.300 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.969 -7.019 -8.131 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.379 -7.855 -6.058 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.189 -8.899 -6.809 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.578 -8.465 -5.077 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.534 -7.152 -4.421 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.477 -10.682 -4.966 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.527 -11.092 -3.605 1.00 0.00 H new ATOM 559 N ALA A 39 -2.262 -4.962 -5.563 1.00 0.00 N ATOM 560 CA ALA A 39 -2.927 -3.748 -5.106 1.00 0.00 C ATOM 561 C ALA A 39 -2.588 -2.564 -6.005 1.00 0.00 C ATOM 562 O ALA A 39 -3.470 -1.807 -6.410 1.00 0.00 O ATOM 563 CB ALA A 39 -2.543 -3.446 -3.665 1.00 0.00 C ATOM 0 H ALA A 39 -1.547 -5.316 -4.927 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.003 -3.912 -5.157 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.047 -2.537 -3.337 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.843 -4.277 -3.027 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.464 -3.307 -3.597 1.00 0.00 H new ATOM 569 N GLY A 40 -1.304 -2.410 -6.314 1.00 0.00 N ATOM 570 CA GLY A 40 -0.872 -1.315 -7.162 1.00 0.00 C ATOM 571 C GLY A 40 0.562 -1.473 -7.627 1.00 0.00 C ATOM 572 O GLY A 40 1.238 -2.451 -7.304 1.00 0.00 O ATOM 0 H GLY A 40 -0.556 -3.024 -5.992 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.527 -1.252 -8.031 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.973 -0.376 -6.617 1.00 0.00 H new ATOM 576 N PRO A 41 1.048 -0.495 -8.406 1.00 0.00 N ATOM 577 CA PRO A 41 2.415 -0.508 -8.933 1.00 0.00 C ATOM 578 C PRO A 41 3.459 -0.292 -7.843 1.00 0.00 C ATOM 579 O PRO A 41 3.824 0.843 -7.535 1.00 0.00 O ATOM 580 CB PRO A 41 2.425 0.661 -9.922 1.00 0.00 C ATOM 581 CG PRO A 41 1.359 1.580 -9.433 1.00 0.00 C ATOM 582 CD PRO A 41 0.299 0.700 -8.830 1.00 0.00 C ATOM 0 HA PRO A 41 2.669 -1.468 -9.383 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.396 1.156 -9.941 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.220 0.322 -10.938 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.754 2.278 -8.694 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.953 2.177 -10.250 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.194 1.185 -7.988 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.477 0.452 -9.554 1.00 0.00 H new ATOM 590 N VAL A 42 3.937 -1.388 -7.262 1.00 0.00 N ATOM 591 CA VAL A 42 4.941 -1.318 -6.207 1.00 0.00 C ATOM 592 C VAL A 42 6.242 -0.714 -6.725 1.00 0.00 C ATOM 593 O VAL A 42 6.795 -1.168 -7.726 1.00 0.00 O ATOM 594 CB VAL A 42 5.234 -2.711 -5.618 1.00 0.00 C ATOM 595 CG1 VAL A 42 6.314 -2.623 -4.551 1.00 0.00 C ATOM 596 CG2 VAL A 42 3.963 -3.328 -5.054 1.00 0.00 C ATOM 0 H VAL A 42 3.645 -2.335 -7.504 1.00 0.00 H new ATOM 0 HA VAL A 42 4.533 -0.679 -5.424 1.00 0.00 H new ATOM 0 HB VAL A 42 5.599 -3.356 -6.417 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.508 -3.616 -4.146 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.229 -2.226 -4.991 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.981 -1.963 -3.750 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.188 -4.312 -4.642 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.566 -2.687 -4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.223 -3.428 -5.848 1.00 0.00 H new ATOM 606 N VAL A 43 6.726 0.315 -6.035 1.00 0.00 N ATOM 607 CA VAL A 43 7.963 0.981 -6.424 1.00 0.00 C ATOM 608 C VAL A 43 9.181 0.216 -5.920 1.00 0.00 C ATOM 609 O VAL A 43 10.061 -0.150 -6.697 1.00 0.00 O ATOM 610 CB VAL A 43 8.016 2.423 -5.884 1.00 0.00 C ATOM 611 CG1 VAL A 43 9.038 3.244 -6.655 1.00 0.00 C ATOM 612 CG2 VAL A 43 6.641 3.069 -5.952 1.00 0.00 C ATOM 0 H VAL A 43 6.280 0.705 -5.205 1.00 0.00 H new ATOM 0 HA VAL A 43 7.980 1.007 -7.514 1.00 0.00 H new ATOM 0 HB VAL A 43 8.325 2.390 -4.839 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.062 4.260 -6.260 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.024 2.790 -6.549 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.762 3.271 -7.709 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.698 4.087 -5.566 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.300 3.091 -6.987 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.938 2.492 -5.351 1.00 0.00 H new ATOM 622 N ASN A 44 9.225 -0.022 -4.613 1.00 0.00 N ATOM 623 CA ASN A 44 10.336 -0.745 -4.005 1.00 0.00 C ATOM 624 C ASN A 44 9.942 -1.297 -2.638 1.00 0.00 C ATOM 625 O ASN A 44 8.985 -0.831 -2.019 1.00 0.00 O ATOM 626 CB ASN A 44 11.553 0.172 -3.865 1.00 0.00 C ATOM 627 CG ASN A 44 12.543 -0.334 -2.835 1.00 0.00 C ATOM 628 OD1 ASN A 44 13.216 -1.343 -3.048 1.00 0.00 O ATOM 629 ND2 ASN A 44 12.638 0.367 -1.711 1.00 0.00 N ATOM 0 H ASN A 44 8.504 0.275 -3.955 1.00 0.00 H new ATOM 0 HA ASN A 44 10.592 -1.581 -4.655 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.051 0.260 -4.831 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.221 1.172 -3.585 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.289 0.075 -0.982 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.060 1.197 -1.577 1.00 0.00 H new ATOM 636 N THR A 45 10.688 -2.294 -2.171 1.00 0.00 N ATOM 637 CA THR A 45 10.418 -2.910 -0.879 1.00 0.00 C ATOM 638 C THR A 45 11.505 -2.565 0.133 1.00 0.00 C ATOM 639 O THR A 45 12.678 -2.440 -0.219 1.00 0.00 O ATOM 640 CB THR A 45 10.312 -4.442 -0.998 1.00 0.00 C ATOM 641 OG1 THR A 45 11.555 -4.985 -1.459 1.00 0.00 O ATOM 642 CG2 THR A 45 9.196 -4.835 -1.954 1.00 0.00 C ATOM 0 H THR A 45 11.484 -2.692 -2.669 1.00 0.00 H new ATOM 0 HA THR A 45 9.464 -2.513 -0.533 1.00 0.00 H new ATOM 0 HB THR A 45 10.083 -4.846 -0.012 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.384 -5.794 -1.985 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.141 -5.921 -2.022 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.247 -4.446 -1.585 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.400 -4.420 -2.941 1.00 0.00 H new ATOM 650 N HIS A 46 11.107 -2.412 1.392 1.00 0.00 N ATOM 651 CA HIS A 46 12.049 -2.082 2.457 1.00 0.00 C ATOM 652 C HIS A 46 11.873 -3.020 3.647 1.00 0.00 C ATOM 653 O HIS A 46 10.789 -3.113 4.221 1.00 0.00 O ATOM 654 CB HIS A 46 11.859 -0.632 2.902 1.00 0.00 C ATOM 655 CG HIS A 46 12.615 -0.285 4.148 1.00 0.00 C ATOM 656 ND1 HIS A 46 13.905 -0.707 4.388 1.00 0.00 N ATOM 657 CD2 HIS A 46 12.255 0.450 5.226 1.00 0.00 C ATOM 658 CE1 HIS A 46 14.306 -0.248 5.560 1.00 0.00 C ATOM 659 NE2 HIS A 46 13.323 0.458 6.089 1.00 0.00 N ATOM 0 H HIS A 46 10.140 -2.511 1.700 1.00 0.00 H new ATOM 0 HA HIS A 46 13.059 -2.205 2.067 1.00 0.00 H new ATOM 0 HB2 HIS A 46 12.177 0.031 2.097 1.00 0.00 H new ATOM 0 HB3 HIS A 46 10.798 -0.447 3.067 1.00 0.00 H new ATOM 0 HD2 HIS A 46 11.304 0.939 5.379 1.00 0.00 H new ATOM 0 HE1 HIS A 46 15.273 -0.421 6.009 1.00 0.00 H new ATOM 0 HE2 HIS A 46 13.352 0.932 6.992 1.00 0.00 H new ATOM 667 N MET A 47 12.947 -3.713 4.012 1.00 0.00 N ATOM 668 CA MET A 47 12.911 -4.643 5.135 1.00 0.00 C ATOM 669 C MET A 47 14.217 -4.595 5.922 1.00 0.00 C ATOM 670 O MET A 47 15.247 -5.114 5.494 1.00 0.00 O ATOM 671 CB MET A 47 12.654 -6.066 4.637 1.00 0.00 C ATOM 672 CG MET A 47 11.193 -6.346 4.325 1.00 0.00 C ATOM 673 SD MET A 47 10.932 -7.994 3.642 1.00 0.00 S ATOM 674 CE MET A 47 10.712 -8.951 5.139 1.00 0.00 C ATOM 0 H MET A 47 13.852 -3.648 3.547 1.00 0.00 H new ATOM 0 HA MET A 47 12.098 -4.345 5.797 1.00 0.00 H new ATOM 0 HB2 MET A 47 13.249 -6.241 3.740 1.00 0.00 H new ATOM 0 HB3 MET A 47 12.998 -6.774 5.391 1.00 0.00 H new ATOM 0 HG2 MET A 47 10.604 -6.237 5.235 1.00 0.00 H new ATOM 0 HG3 MET A 47 10.827 -5.602 3.618 1.00 0.00 H new ATOM 0 HE1 MET A 47 11.399 -9.797 5.134 1.00 0.00 H new ATOM 0 HE2 MET A 47 10.917 -8.323 6.006 1.00 0.00 H new ATOM 0 HE3 MET A 47 9.686 -9.316 5.190 1.00 0.00 H new ATOM 684 N PRO A 48 14.174 -3.958 7.102 1.00 0.00 N ATOM 685 CA PRO A 48 15.346 -3.827 7.974 1.00 0.00 C ATOM 686 C PRO A 48 15.755 -5.158 8.596 1.00 0.00 C ATOM 687 O PRO A 48 14.947 -5.832 9.235 1.00 0.00 O ATOM 688 CB PRO A 48 14.875 -2.853 9.056 1.00 0.00 C ATOM 689 CG PRO A 48 13.394 -3.007 9.088 1.00 0.00 C ATOM 690 CD PRO A 48 12.980 -3.315 7.675 1.00 0.00 C ATOM 0 HA PRO A 48 16.226 -3.486 7.428 1.00 0.00 H new ATOM 0 HB2 PRO A 48 15.318 -3.091 10.023 1.00 0.00 H new ATOM 0 HB3 PRO A 48 15.161 -1.829 8.818 1.00 0.00 H new ATOM 0 HG2 PRO A 48 13.099 -3.809 9.765 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.914 -2.096 9.446 1.00 0.00 H new ATOM 0 HD2 PRO A 48 12.114 -3.976 7.645 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.710 -2.411 7.129 1.00 0.00 H new ATOM 851 N TYR A 59 8.627 -8.272 10.058 1.00 0.00 N ATOM 852 CA TYR A 59 7.871 -7.109 9.610 1.00 0.00 C ATOM 853 C TYR A 59 8.653 -6.320 8.565 1.00 0.00 C ATOM 854 O TYR A 59 9.883 -6.353 8.538 1.00 0.00 O ATOM 855 CB TYR A 59 7.531 -6.206 10.797 1.00 0.00 C ATOM 856 CG TYR A 59 8.516 -5.077 11.000 1.00 0.00 C ATOM 857 CD1 TYR A 59 9.885 -5.303 10.938 1.00 0.00 C ATOM 858 CD2 TYR A 59 8.077 -3.783 11.254 1.00 0.00 C ATOM 859 CE1 TYR A 59 10.788 -4.274 11.123 1.00 0.00 C ATOM 860 CE2 TYR A 59 8.972 -2.748 11.440 1.00 0.00 C ATOM 861 CZ TYR A 59 10.327 -2.999 11.374 1.00 0.00 C ATOM 862 OH TYR A 59 11.224 -1.971 11.558 1.00 0.00 O ATOM 0 HA TYR A 59 6.946 -7.463 9.155 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.536 -5.787 10.650 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.492 -6.810 11.703 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.250 -6.300 10.742 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.017 -3.583 11.307 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.849 -4.467 11.071 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.613 -1.748 11.636 1.00 0.00 H new ATOM 0 HH TYR A 59 10.736 -1.137 11.724 1.00 0.00 H new ATOM 872 N GLY A 60 7.930 -5.610 7.705 1.00 0.00 N ATOM 873 CA GLY A 60 8.572 -4.822 6.669 1.00 0.00 C ATOM 874 C GLY A 60 7.707 -3.670 6.197 1.00 0.00 C ATOM 875 O GLY A 60 6.822 -3.211 6.920 1.00 0.00 O ATOM 0 H GLY A 60 6.911 -5.566 7.707 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.517 -4.432 7.047 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.809 -5.465 5.822 1.00 0.00 H new ATOM 879 N PHE A 61 7.963 -3.200 4.980 1.00 0.00 N ATOM 880 CA PHE A 61 7.202 -2.092 4.413 1.00 0.00 C ATOM 881 C PHE A 61 7.202 -2.157 2.889 1.00 0.00 C ATOM 882 O PHE A 61 8.074 -2.779 2.282 1.00 0.00 O ATOM 883 CB PHE A 61 7.783 -0.756 4.878 1.00 0.00 C ATOM 884 CG PHE A 61 7.932 -0.653 6.369 1.00 0.00 C ATOM 885 CD1 PHE A 61 8.980 -1.283 7.020 1.00 0.00 C ATOM 886 CD2 PHE A 61 7.023 0.074 7.121 1.00 0.00 C ATOM 887 CE1 PHE A 61 9.120 -1.190 8.392 1.00 0.00 C ATOM 888 CE2 PHE A 61 7.157 0.171 8.493 1.00 0.00 C ATOM 889 CZ PHE A 61 8.207 -0.463 9.129 1.00 0.00 C ATOM 0 H PHE A 61 8.691 -3.569 4.368 1.00 0.00 H new ATOM 0 HA PHE A 61 6.173 -2.174 4.763 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.758 -0.611 4.413 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.140 0.052 4.529 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.697 -1.854 6.448 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.200 0.571 6.629 1.00 0.00 H new ATOM 0 HE1 PHE A 61 9.942 -1.685 8.887 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.442 0.742 9.067 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.313 -0.390 10.201 1.00 0.00 H new ATOM 899 N VAL A 62 6.217 -1.509 2.275 1.00 0.00 N ATOM 900 CA VAL A 62 6.102 -1.492 0.822 1.00 0.00 C ATOM 901 C VAL A 62 5.756 -0.096 0.314 1.00 0.00 C ATOM 902 O VAL A 62 4.644 0.390 0.516 1.00 0.00 O ATOM 903 CB VAL A 62 5.031 -2.484 0.331 1.00 0.00 C ATOM 904 CG1 VAL A 62 4.936 -2.461 -1.187 1.00 0.00 C ATOM 905 CG2 VAL A 62 5.336 -3.887 0.833 1.00 0.00 C ATOM 0 H VAL A 62 5.487 -0.989 2.762 1.00 0.00 H new ATOM 0 HA VAL A 62 7.072 -1.791 0.425 1.00 0.00 H new ATOM 0 HB VAL A 62 4.066 -2.179 0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.174 -3.168 -1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.667 -1.458 -1.520 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.898 -2.740 -1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.570 -4.575 0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.310 -4.203 0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.347 -3.889 1.923 1.00 0.00 H new ATOM 915 N GLU A 63 6.718 0.543 -0.345 1.00 0.00 N ATOM 916 CA GLU A 63 6.514 1.884 -0.881 1.00 0.00 C ATOM 917 C GLU A 63 5.834 1.826 -2.246 1.00 0.00 C ATOM 918 O GLU A 63 6.429 1.386 -3.230 1.00 0.00 O ATOM 919 CB GLU A 63 7.851 2.619 -0.995 1.00 0.00 C ATOM 920 CG GLU A 63 7.744 3.974 -1.676 1.00 0.00 C ATOM 921 CD GLU A 63 9.011 4.357 -2.416 1.00 0.00 C ATOM 922 OE1 GLU A 63 10.042 4.581 -1.749 1.00 0.00 O ATOM 923 OE2 GLU A 63 8.970 4.433 -3.662 1.00 0.00 O ATOM 0 H GLU A 63 7.645 0.154 -0.520 1.00 0.00 H new ATOM 0 HA GLU A 63 5.866 2.428 -0.195 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.268 2.755 0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.552 1.997 -1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.909 3.959 -2.376 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.520 4.735 -0.929 1.00 0.00 H new ATOM 930 N PHE A 64 4.584 2.274 -2.297 1.00 0.00 N ATOM 931 CA PHE A 64 3.821 2.273 -3.540 1.00 0.00 C ATOM 932 C PHE A 64 4.107 3.531 -4.354 1.00 0.00 C ATOM 933 O PHE A 64 4.671 4.500 -3.844 1.00 0.00 O ATOM 934 CB PHE A 64 2.324 2.172 -3.244 1.00 0.00 C ATOM 935 CG PHE A 64 1.835 0.760 -3.096 1.00 0.00 C ATOM 936 CD1 PHE A 64 1.565 -0.014 -4.213 1.00 0.00 C ATOM 937 CD2 PHE A 64 1.645 0.206 -1.840 1.00 0.00 C ATOM 938 CE1 PHE A 64 1.116 -1.315 -4.081 1.00 0.00 C ATOM 939 CE2 PHE A 64 1.196 -1.093 -1.702 1.00 0.00 C ATOM 940 CZ PHE A 64 0.930 -1.855 -2.823 1.00 0.00 C ATOM 0 H PHE A 64 4.078 2.642 -1.492 1.00 0.00 H new ATOM 0 HA PHE A 64 4.127 1.406 -4.125 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.105 2.721 -2.328 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.770 2.657 -4.047 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.707 0.404 -5.199 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.850 0.796 -0.959 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.911 -1.908 -4.960 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.053 -1.513 -0.717 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.578 -2.870 -2.716 1.00 0.00 H new ATOM 950 N LEU A 65 3.715 3.508 -5.623 1.00 0.00 N ATOM 951 CA LEU A 65 3.928 4.647 -6.511 1.00 0.00 C ATOM 952 C LEU A 65 3.046 5.824 -6.108 1.00 0.00 C ATOM 953 O LEU A 65 3.495 6.970 -6.087 1.00 0.00 O ATOM 954 CB LEU A 65 3.640 4.250 -7.960 1.00 0.00 C ATOM 955 CG LEU A 65 4.070 5.255 -9.029 1.00 0.00 C ATOM 956 CD1 LEU A 65 5.574 5.194 -9.245 1.00 0.00 C ATOM 957 CD2 LEU A 65 3.331 4.995 -10.333 1.00 0.00 C ATOM 0 H LEU A 65 3.248 2.714 -6.061 1.00 0.00 H new ATOM 0 HA LEU A 65 4.971 4.953 -6.426 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.137 3.301 -8.161 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.569 4.077 -8.062 1.00 0.00 H new ATOM 0 HG LEU A 65 3.814 6.256 -8.683 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.861 5.916 -10.009 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.085 5.430 -8.312 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.855 4.192 -9.569 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.649 5.720 -11.082 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.555 3.988 -10.684 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.258 5.091 -10.168 1.00 0.00 H new ATOM 969 N SER A 66 1.790 5.533 -5.787 1.00 0.00 N ATOM 970 CA SER A 66 0.844 6.568 -5.386 1.00 0.00 C ATOM 971 C SER A 66 0.155 6.196 -4.077 1.00 0.00 C ATOM 972 O SER A 66 -0.099 5.022 -3.808 1.00 0.00 O ATOM 973 CB SER A 66 -0.201 6.785 -6.482 1.00 0.00 C ATOM 974 OG SER A 66 0.415 6.981 -7.743 1.00 0.00 O ATOM 0 H SER A 66 1.403 4.589 -5.797 1.00 0.00 H new ATOM 0 HA SER A 66 1.399 7.494 -5.234 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.867 5.924 -6.529 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.816 7.650 -6.236 1.00 0.00 H new ATOM 0 HG SER A 66 -0.274 7.116 -8.426 1.00 0.00 H new ATOM 980 N GLU A 67 -0.145 7.206 -3.266 1.00 0.00 N ATOM 981 CA GLU A 67 -0.804 6.985 -1.984 1.00 0.00 C ATOM 982 C GLU A 67 -1.960 6.000 -2.129 1.00 0.00 C ATOM 983 O GLU A 67 -2.047 5.017 -1.393 1.00 0.00 O ATOM 984 CB GLU A 67 -1.317 8.310 -1.414 1.00 0.00 C ATOM 985 CG GLU A 67 -1.637 8.251 0.070 1.00 0.00 C ATOM 986 CD GLU A 67 -2.491 9.417 0.529 1.00 0.00 C ATOM 987 OE1 GLU A 67 -3.524 9.686 -0.119 1.00 0.00 O ATOM 988 OE2 GLU A 67 -2.126 10.059 1.536 1.00 0.00 O ATOM 0 H GLU A 67 0.058 8.184 -3.474 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.072 6.561 -1.297 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.568 9.084 -1.585 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.213 8.608 -1.959 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.155 7.317 0.289 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.707 8.241 0.638 1.00 0.00 H new ATOM 995 N GLU A 68 -2.845 6.271 -3.082 1.00 0.00 N ATOM 996 CA GLU A 68 -3.997 5.409 -3.323 1.00 0.00 C ATOM 997 C GLU A 68 -3.567 3.951 -3.453 1.00 0.00 C ATOM 998 O GLU A 68 -4.124 3.068 -2.800 1.00 0.00 O ATOM 999 CB GLU A 68 -4.736 5.849 -4.588 1.00 0.00 C ATOM 1000 CG GLU A 68 -5.195 7.297 -4.553 1.00 0.00 C ATOM 1001 CD GLU A 68 -6.340 7.570 -5.509 1.00 0.00 C ATOM 1002 OE1 GLU A 68 -7.439 7.018 -5.292 1.00 0.00 O ATOM 1003 OE2 GLU A 68 -6.136 8.336 -6.474 1.00 0.00 O ATOM 0 H GLU A 68 -2.787 7.080 -3.700 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.669 5.497 -2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.083 5.704 -5.449 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.603 5.205 -4.734 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.505 7.552 -3.539 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.356 7.946 -4.803 1.00 0.00 H new ATOM 1010 N ASP A 69 -2.574 3.706 -4.300 1.00 0.00 N ATOM 1011 CA ASP A 69 -2.068 2.356 -4.516 1.00 0.00 C ATOM 1012 C ASP A 69 -1.839 1.642 -3.187 1.00 0.00 C ATOM 1013 O ASP A 69 -2.164 0.465 -3.040 1.00 0.00 O ATOM 1014 CB ASP A 69 -0.766 2.398 -5.318 1.00 0.00 C ATOM 1015 CG ASP A 69 -0.957 2.990 -6.701 1.00 0.00 C ATOM 1016 OD1 ASP A 69 -2.101 2.975 -7.199 1.00 0.00 O ATOM 1017 OD2 ASP A 69 0.039 3.467 -7.284 1.00 0.00 O ATOM 0 H ASP A 69 -2.103 4.425 -4.849 1.00 0.00 H new ATOM 0 HA ASP A 69 -2.816 1.801 -5.082 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.026 2.985 -4.774 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.367 1.388 -5.410 1.00 0.00 H new ATOM 1022 N ALA A 70 -1.276 2.364 -2.224 1.00 0.00 N ATOM 1023 CA ALA A 70 -1.004 1.800 -0.907 1.00 0.00 C ATOM 1024 C ALA A 70 -2.299 1.509 -0.157 1.00 0.00 C ATOM 1025 O ALA A 70 -2.447 0.452 0.457 1.00 0.00 O ATOM 1026 CB ALA A 70 -0.125 2.744 -0.100 1.00 0.00 C ATOM 0 H ALA A 70 -0.999 3.340 -2.331 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.475 0.857 -1.045 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.070 2.310 0.881 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.819 2.898 -0.623 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.633 3.701 0.021 1.00 0.00 H new ATOM 1032 N ASP A 71 -3.232 2.452 -0.209 1.00 0.00 N ATOM 1033 CA ASP A 71 -4.516 2.296 0.466 1.00 0.00 C ATOM 1034 C ASP A 71 -5.225 1.028 -0.001 1.00 0.00 C ATOM 1035 O ASP A 71 -5.849 0.326 0.795 1.00 0.00 O ATOM 1036 CB ASP A 71 -5.403 3.515 0.209 1.00 0.00 C ATOM 1037 CG ASP A 71 -5.161 4.629 1.209 1.00 0.00 C ATOM 1038 OD1 ASP A 71 -3.982 4.899 1.522 1.00 0.00 O ATOM 1039 OD2 ASP A 71 -6.149 5.229 1.681 1.00 0.00 O ATOM 0 H ASP A 71 -3.124 3.333 -0.711 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.328 2.213 1.536 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.219 3.889 -0.798 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.450 3.214 0.251 1.00 0.00 H new ATOM 1044 N TYR A 72 -5.124 0.743 -1.294 1.00 0.00 N ATOM 1045 CA TYR A 72 -5.759 -0.438 -1.867 1.00 0.00 C ATOM 1046 C TYR A 72 -5.141 -1.715 -1.305 1.00 0.00 C ATOM 1047 O TYR A 72 -5.831 -2.713 -1.100 1.00 0.00 O ATOM 1048 CB TYR A 72 -5.629 -0.424 -3.391 1.00 0.00 C ATOM 1049 CG TYR A 72 -6.550 -1.400 -4.087 1.00 0.00 C ATOM 1050 CD1 TYR A 72 -6.310 -2.768 -4.037 1.00 0.00 C ATOM 1051 CD2 TYR A 72 -7.660 -0.955 -4.794 1.00 0.00 C ATOM 1052 CE1 TYR A 72 -7.149 -3.664 -4.672 1.00 0.00 C ATOM 1053 CE2 TYR A 72 -8.505 -1.844 -5.430 1.00 0.00 C ATOM 1054 CZ TYR A 72 -8.245 -3.197 -5.366 1.00 0.00 C ATOM 1055 OH TYR A 72 -9.083 -4.085 -6.000 1.00 0.00 O ATOM 0 H TYR A 72 -4.609 1.313 -1.965 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.815 -0.418 -1.599 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -5.837 0.582 -3.756 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.598 -0.654 -3.661 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.453 -3.137 -3.493 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.866 0.104 -4.847 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.947 -4.724 -4.625 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.364 -1.481 -5.974 1.00 0.00 H new ATOM 0 HH TYR A 72 -9.807 -3.594 -6.442 1.00 0.00 H new ATOM 1065 N ALA A 73 -3.836 -1.675 -1.058 1.00 0.00 N ATOM 1066 CA ALA A 73 -3.125 -2.826 -0.517 1.00 0.00 C ATOM 1067 C ALA A 73 -3.380 -2.977 0.979 1.00 0.00 C ATOM 1068 O ALA A 73 -3.400 -4.090 1.505 1.00 0.00 O ATOM 1069 CB ALA A 73 -1.633 -2.701 -0.790 1.00 0.00 C ATOM 0 H ALA A 73 -3.250 -0.857 -1.224 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.501 -3.720 -1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.114 -3.568 -0.380 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.463 -2.651 -1.865 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.252 -1.794 -0.320 1.00 0.00 H new ATOM 1075 N ILE A 74 -3.575 -1.851 1.657 1.00 0.00 N ATOM 1076 CA ILE A 74 -3.829 -1.859 3.092 1.00 0.00 C ATOM 1077 C ILE A 74 -5.239 -2.353 3.398 1.00 0.00 C ATOM 1078 O ILE A 74 -5.568 -2.655 4.545 1.00 0.00 O ATOM 1079 CB ILE A 74 -3.645 -0.457 3.704 1.00 0.00 C ATOM 1080 CG1 ILE A 74 -2.213 0.035 3.483 1.00 0.00 C ATOM 1081 CG2 ILE A 74 -3.980 -0.479 5.188 1.00 0.00 C ATOM 1082 CD1 ILE A 74 -2.064 1.535 3.604 1.00 0.00 C ATOM 0 H ILE A 74 -3.562 -0.922 1.236 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.103 -2.540 3.537 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.327 0.233 3.208 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.556 -0.447 4.207 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.879 -0.276 2.493 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.845 0.519 5.606 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.015 -0.792 5.323 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.320 -1.179 5.700 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.023 1.812 3.435 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.695 2.024 2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.367 1.851 4.602 1.00 0.00 H new ATOM 1094 N LYS A 75 -6.069 -2.434 2.363 1.00 0.00 N ATOM 1095 CA LYS A 75 -7.444 -2.894 2.518 1.00 0.00 C ATOM 1096 C LYS A 75 -7.545 -4.397 2.276 1.00 0.00 C ATOM 1097 O LYS A 75 -8.296 -5.095 2.957 1.00 0.00 O ATOM 1098 CB LYS A 75 -8.366 -2.148 1.552 1.00 0.00 C ATOM 1099 CG LYS A 75 -8.570 -2.866 0.229 1.00 0.00 C ATOM 1100 CD LYS A 75 -8.993 -1.904 -0.869 1.00 0.00 C ATOM 1101 CE LYS A 75 -10.504 -1.740 -0.915 1.00 0.00 C ATOM 1102 NZ LYS A 75 -11.172 -2.925 -1.521 1.00 0.00 N ATOM 0 H LYS A 75 -5.813 -2.187 1.407 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.757 -2.686 3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.335 -2.000 2.029 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.952 -1.158 1.359 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.646 -3.366 -0.061 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.328 -3.640 0.347 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.526 -0.933 -0.704 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.636 -2.270 -1.832 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.884 -1.586 0.095 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.755 -0.848 -1.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.167 -2.698 -1.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.690 -3.180 -2.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.126 -3.726 -0.859 1.00 0.00 H new ATOM 1116 N ILE A 76 -6.784 -4.887 1.303 1.00 0.00 N ATOM 1117 CA ILE A 76 -6.786 -6.307 0.974 1.00 0.00 C ATOM 1118 C ILE A 76 -5.679 -7.046 1.718 1.00 0.00 C ATOM 1119 O ILE A 76 -5.887 -8.148 2.224 1.00 0.00 O ATOM 1120 CB ILE A 76 -6.613 -6.534 -0.539 1.00 0.00 C ATOM 1121 CG1 ILE A 76 -5.300 -5.916 -1.023 1.00 0.00 C ATOM 1122 CG2 ILE A 76 -7.793 -5.949 -1.301 1.00 0.00 C ATOM 1123 CD1 ILE A 76 -5.030 -6.144 -2.494 1.00 0.00 C ATOM 0 H ILE A 76 -6.158 -4.322 0.729 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.754 -6.701 1.284 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.579 -7.607 -0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.319 -4.844 -0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.477 -6.332 -0.442 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.656 -6.117 -2.369 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.713 -6.432 -0.973 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.856 -4.878 -1.108 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.083 -5.678 -2.767 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.979 -7.214 -2.693 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.834 -5.704 -3.084 1.00 0.00 H new ATOM 1135 N MET A 77 -4.503 -6.430 1.781 1.00 0.00 N ATOM 1136 CA MET A 77 -3.363 -7.029 2.466 1.00 0.00 C ATOM 1137 C MET A 77 -3.448 -6.793 3.970 1.00 0.00 C ATOM 1138 O MET A 77 -2.442 -6.861 4.676 1.00 0.00 O ATOM 1139 CB MET A 77 -2.054 -6.454 1.921 1.00 0.00 C ATOM 1140 CG MET A 77 -2.014 -6.366 0.404 1.00 0.00 C ATOM 1141 SD MET A 77 -2.433 -7.928 -0.394 1.00 0.00 S ATOM 1142 CE MET A 77 -0.876 -8.335 -1.179 1.00 0.00 C ATOM 0 H MET A 77 -4.314 -5.517 1.367 1.00 0.00 H new ATOM 0 HA MET A 77 -3.384 -8.103 2.283 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.902 -5.459 2.339 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.225 -7.073 2.263 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.708 -5.594 0.070 1.00 0.00 H new ATOM 0 HG3 MET A 77 -1.018 -6.057 0.088 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.878 -9.386 -1.468 1.00 0.00 H new ATOM 0 HE2 MET A 77 -0.743 -7.715 -2.066 1.00 0.00 H new ATOM 0 HE3 MET A 77 -0.058 -8.152 -0.482 1.00 0.00 H new ATOM 1152 N ASP A 78 -4.654 -6.515 4.454 1.00 0.00 N ATOM 1153 CA ASP A 78 -4.870 -6.270 5.875 1.00 0.00 C ATOM 1154 C ASP A 78 -5.451 -7.505 6.557 1.00 0.00 C ATOM 1155 O ASP A 78 -6.490 -8.021 6.147 1.00 0.00 O ATOM 1156 CB ASP A 78 -5.804 -5.076 6.072 1.00 0.00 C ATOM 1157 CG ASP A 78 -6.637 -5.194 7.333 1.00 0.00 C ATOM 1158 OD1 ASP A 78 -7.643 -5.935 7.314 1.00 0.00 O ATOM 1159 OD2 ASP A 78 -6.283 -4.546 8.341 1.00 0.00 O ATOM 0 H ASP A 78 -5.497 -6.454 3.883 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.906 -6.046 6.331 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.214 -4.160 6.114 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.465 -4.990 5.210 1.00 0.00 H new ATOM 1164 N MET A 79 -4.773 -7.972 7.600 1.00 0.00 N ATOM 1165 CA MET A 79 -5.223 -9.146 8.339 1.00 0.00 C ATOM 1166 C MET A 79 -5.208 -10.386 7.452 1.00 0.00 C ATOM 1167 O MET A 79 -6.062 -11.264 7.581 1.00 0.00 O ATOM 1168 CB MET A 79 -6.631 -8.918 8.893 1.00 0.00 C ATOM 1169 CG MET A 79 -6.646 -8.275 10.270 1.00 0.00 C ATOM 1170 SD MET A 79 -8.115 -8.706 11.222 1.00 0.00 S ATOM 1171 CE MET A 79 -7.377 -9.202 12.777 1.00 0.00 C ATOM 0 H MET A 79 -3.911 -7.556 7.952 1.00 0.00 H new ATOM 0 HA MET A 79 -4.535 -9.307 9.169 1.00 0.00 H new ATOM 0 HB2 MET A 79 -7.187 -8.287 8.200 1.00 0.00 H new ATOM 0 HB3 MET A 79 -7.152 -9.874 8.942 1.00 0.00 H new ATOM 0 HG2 MET A 79 -5.757 -8.584 10.821 1.00 0.00 H new ATOM 0 HG3 MET A 79 -6.593 -7.192 10.161 1.00 0.00 H new ATOM 0 HE1 MET A 79 -7.901 -10.075 13.167 1.00 0.00 H new ATOM 0 HE2 MET A 79 -6.327 -9.450 12.619 1.00 0.00 H new ATOM 0 HE3 MET A 79 -7.453 -8.384 13.493 1.00 0.00 H new ATOM 1181 N ILE A 80 -4.233 -10.452 6.551 1.00 0.00 N ATOM 1182 CA ILE A 80 -4.107 -11.585 5.643 1.00 0.00 C ATOM 1183 C ILE A 80 -3.391 -12.751 6.315 1.00 0.00 C ATOM 1184 O ILE A 80 -2.683 -12.572 7.306 1.00 0.00 O ATOM 1185 CB ILE A 80 -3.345 -11.198 4.362 1.00 0.00 C ATOM 1186 CG1 ILE A 80 -4.260 -10.425 3.411 1.00 0.00 C ATOM 1187 CG2 ILE A 80 -2.791 -12.440 3.680 1.00 0.00 C ATOM 1188 CD1 ILE A 80 -3.782 -10.429 1.976 1.00 0.00 C ATOM 0 H ILE A 80 -3.519 -9.734 6.431 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.119 -11.889 5.376 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.509 -10.554 4.635 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.261 -10.855 3.453 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.341 -9.394 3.756 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.255 -12.150 2.776 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.109 -12.953 4.358 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.612 -13.107 3.417 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.479 -9.862 1.359 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.794 -9.972 1.920 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.728 -11.455 1.613 1.00 0.00 H new ATOM 1200 N LYS A 81 -3.578 -13.948 5.769 1.00 0.00 N ATOM 1201 CA LYS A 81 -2.948 -15.145 6.312 1.00 0.00 C ATOM 1202 C LYS A 81 -1.899 -15.693 5.350 1.00 0.00 C ATOM 1203 O LYS A 81 -2.203 -16.521 4.490 1.00 0.00 O ATOM 1204 CB LYS A 81 -4.003 -16.217 6.598 1.00 0.00 C ATOM 1205 CG LYS A 81 -4.589 -16.136 7.997 1.00 0.00 C ATOM 1206 CD LYS A 81 -5.047 -17.499 8.489 1.00 0.00 C ATOM 1207 CE LYS A 81 -5.747 -17.398 9.836 1.00 0.00 C ATOM 1208 NZ LYS A 81 -7.204 -17.133 9.684 1.00 0.00 N ATOM 0 H LYS A 81 -4.162 -14.115 4.949 1.00 0.00 H new ATOM 0 HA LYS A 81 -2.453 -14.873 7.244 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.809 -16.125 5.870 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -3.556 -17.201 6.457 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.843 -15.732 8.682 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.432 -15.445 8.000 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.723 -17.942 7.758 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.188 -18.164 8.573 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.602 -18.325 10.391 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.292 -16.600 10.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.645 -17.071 10.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.343 -16.236 9.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.643 -17.907 9.146 1.00 0.00 H new ATOM 1222 N LEU A 82 -0.664 -15.226 5.500 1.00 0.00 N ATOM 1223 CA LEU A 82 0.431 -15.671 4.644 1.00 0.00 C ATOM 1224 C LEU A 82 1.292 -16.708 5.358 1.00 0.00 C ATOM 1225 O LEU A 82 1.467 -16.653 6.575 1.00 0.00 O ATOM 1226 CB LEU A 82 1.291 -14.478 4.224 1.00 0.00 C ATOM 1227 CG LEU A 82 2.488 -14.798 3.327 1.00 0.00 C ATOM 1228 CD1 LEU A 82 2.042 -14.969 1.883 1.00 0.00 C ATOM 1229 CD2 LEU A 82 3.542 -13.705 3.435 1.00 0.00 C ATOM 0 H LEU A 82 -0.396 -14.540 6.206 1.00 0.00 H new ATOM 0 HA LEU A 82 0.002 -16.133 3.755 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.655 -13.761 3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.658 -13.985 5.124 1.00 0.00 H new ATOM 0 HG LEU A 82 2.929 -15.736 3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.907 -15.196 1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.323 -15.786 1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.576 -14.047 1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.386 -13.949 2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.112 -12.753 3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.884 -13.630 4.467 1.00 0.00 H new ATOM 1241 N TYR A 83 1.830 -17.650 4.591 1.00 0.00 N ATOM 1242 CA TYR A 83 2.674 -18.700 5.150 1.00 0.00 C ATOM 1243 C TYR A 83 2.374 -18.910 6.631 1.00 0.00 C ATOM 1244 O TYR A 83 3.268 -18.843 7.473 1.00 0.00 O ATOM 1245 CB TYR A 83 4.151 -18.350 4.962 1.00 0.00 C ATOM 1246 CG TYR A 83 4.488 -17.873 3.567 1.00 0.00 C ATOM 1247 CD1 TYR A 83 4.214 -18.663 2.457 1.00 0.00 C ATOM 1248 CD2 TYR A 83 5.079 -16.633 3.360 1.00 0.00 C ATOM 1249 CE1 TYR A 83 4.521 -18.231 1.181 1.00 0.00 C ATOM 1250 CE2 TYR A 83 5.388 -16.193 2.087 1.00 0.00 C ATOM 1251 CZ TYR A 83 5.107 -16.996 1.001 1.00 0.00 C ATOM 1252 OH TYR A 83 5.413 -16.562 -0.268 1.00 0.00 O ATOM 0 H TYR A 83 1.697 -17.708 3.581 1.00 0.00 H new ATOM 0 HA TYR A 83 2.456 -19.627 4.619 1.00 0.00 H new ATOM 0 HB2 TYR A 83 4.426 -17.576 5.678 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.756 -19.227 5.193 1.00 0.00 H new ATOM 0 HD1 TYR A 83 3.754 -19.630 2.594 1.00 0.00 H new ATOM 0 HD2 TYR A 83 5.301 -16.002 4.208 1.00 0.00 H new ATOM 0 HE1 TYR A 83 4.303 -18.858 0.329 1.00 0.00 H new ATOM 0 HE2 TYR A 83 5.847 -15.226 1.943 1.00 0.00 H new ATOM 0 HH TYR A 83 4.778 -16.948 -0.908 1.00 0.00 H new ATOM 1262 N GLY A 84 1.106 -19.166 6.941 1.00 0.00 N ATOM 1263 CA GLY A 84 0.709 -19.382 8.320 1.00 0.00 C ATOM 1264 C GLY A 84 1.129 -18.245 9.230 1.00 0.00 C ATOM 1265 O GLY A 84 1.932 -18.435 10.143 1.00 0.00 O ATOM 0 H GLY A 84 0.347 -19.228 6.262 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.373 -19.501 8.369 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.149 -20.312 8.680 1.00 0.00 H new ATOM 1269 N LYS A 85 0.586 -17.058 8.980 1.00 0.00 N ATOM 1270 CA LYS A 85 0.908 -15.885 9.783 1.00 0.00 C ATOM 1271 C LYS A 85 -0.024 -14.724 9.448 1.00 0.00 C ATOM 1272 O LYS A 85 -0.014 -14.187 8.341 1.00 0.00 O ATOM 1273 CB LYS A 85 2.362 -15.467 9.552 1.00 0.00 C ATOM 1274 CG LYS A 85 3.343 -16.125 10.507 1.00 0.00 C ATOM 1275 CD LYS A 85 4.547 -15.236 10.770 1.00 0.00 C ATOM 1276 CE LYS A 85 5.267 -15.637 12.049 1.00 0.00 C ATOM 1277 NZ LYS A 85 6.122 -16.839 11.850 1.00 0.00 N ATOM 0 H LYS A 85 -0.080 -16.883 8.227 1.00 0.00 H new ATOM 0 HA LYS A 85 0.773 -16.146 10.833 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.644 -15.713 8.528 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.440 -14.384 9.653 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.841 -16.348 11.449 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.676 -17.076 10.090 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.237 -15.297 9.928 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.225 -14.197 10.843 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.883 -14.807 12.395 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.534 -15.838 12.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.927 -16.805 12.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.562 -17.697 12.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.475 -16.856 10.872 1.00 0.00 H new ATOM 1291 N PRO A 86 -0.849 -14.326 10.428 1.00 0.00 N ATOM 1292 CA PRO A 86 -1.801 -13.224 10.262 1.00 0.00 C ATOM 1293 C PRO A 86 -1.108 -11.869 10.161 1.00 0.00 C ATOM 1294 O PRO A 86 -0.982 -11.151 11.154 1.00 0.00 O ATOM 1295 CB PRO A 86 -2.652 -13.296 11.532 1.00 0.00 C ATOM 1296 CG PRO A 86 -1.774 -13.953 12.540 1.00 0.00 C ATOM 1297 CD PRO A 86 -0.916 -14.921 11.774 1.00 0.00 C ATOM 0 HA PRO A 86 -2.376 -13.318 9.341 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -2.957 -12.303 11.861 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.563 -13.871 11.366 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.162 -13.218 13.062 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.366 -14.470 13.296 1.00 0.00 H new ATOM 0 HD2 PRO A 86 0.074 -15.020 12.219 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.357 -15.918 11.751 1.00 0.00 H new ATOM 1305 N ILE A 87 -0.662 -11.526 8.958 1.00 0.00 N ATOM 1306 CA ILE A 87 0.017 -10.257 8.728 1.00 0.00 C ATOM 1307 C ILE A 87 -0.864 -9.081 9.137 1.00 0.00 C ATOM 1308 O ILE A 87 -2.079 -9.222 9.276 1.00 0.00 O ATOM 1309 CB ILE A 87 0.420 -10.093 7.251 1.00 0.00 C ATOM 1310 CG1 ILE A 87 -0.822 -9.901 6.379 1.00 0.00 C ATOM 1311 CG2 ILE A 87 1.221 -11.300 6.784 1.00 0.00 C ATOM 1312 CD1 ILE A 87 -0.525 -9.276 5.034 1.00 0.00 C ATOM 0 H ILE A 87 -0.759 -12.109 8.127 1.00 0.00 H new ATOM 0 HA ILE A 87 0.917 -10.265 9.342 1.00 0.00 H new ATOM 0 HB ILE A 87 1.047 -9.206 7.157 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.300 -10.868 6.224 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.537 -9.274 6.912 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.499 -11.170 5.738 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.122 -11.395 7.390 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.616 -12.201 6.889 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.451 -9.170 4.470 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.075 -8.294 5.180 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.166 -9.913 4.481 1.00 0.00 H new ATOM 1324 N ARG A 88 -0.243 -7.921 9.325 1.00 0.00 N ATOM 1325 CA ARG A 88 -0.970 -6.720 9.717 1.00 0.00 C ATOM 1326 C ARG A 88 -0.491 -5.510 8.920 1.00 0.00 C ATOM 1327 O ARG A 88 0.620 -5.021 9.122 1.00 0.00 O ATOM 1328 CB ARG A 88 -0.798 -6.459 11.214 1.00 0.00 C ATOM 1329 CG ARG A 88 -1.591 -7.411 12.094 1.00 0.00 C ATOM 1330 CD ARG A 88 -3.076 -7.083 12.072 1.00 0.00 C ATOM 1331 NE ARG A 88 -3.377 -5.859 12.810 1.00 0.00 N ATOM 1332 CZ ARG A 88 -4.514 -5.658 13.467 1.00 0.00 C ATOM 1333 NH1 ARG A 88 -5.451 -6.596 13.480 1.00 0.00 N ATOM 1334 NH2 ARG A 88 -4.714 -4.517 14.115 1.00 0.00 N ATOM 0 H ARG A 88 0.762 -7.788 9.212 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.027 -6.879 9.503 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.259 -6.538 11.469 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.103 -5.436 11.433 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.438 -8.435 11.754 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.220 -7.356 13.118 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.408 -6.975 11.039 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.637 -7.913 12.502 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.676 -5.118 12.822 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.300 -7.475 12.985 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.323 -6.439 13.985 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.995 -3.794 14.109 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -5.587 -4.363 14.619 1.00 0.00 H new ATOM 1348 N VAL A 89 -1.338 -5.032 8.014 1.00 0.00 N ATOM 1349 CA VAL A 89 -1.002 -3.880 7.187 1.00 0.00 C ATOM 1350 C VAL A 89 -1.771 -2.641 7.632 1.00 0.00 C ATOM 1351 O VAL A 89 -2.930 -2.729 8.033 1.00 0.00 O ATOM 1352 CB VAL A 89 -1.301 -4.149 5.700 1.00 0.00 C ATOM 1353 CG1 VAL A 89 -1.108 -2.884 4.878 1.00 0.00 C ATOM 1354 CG2 VAL A 89 -0.421 -5.274 5.175 1.00 0.00 C ATOM 0 H VAL A 89 -2.262 -5.425 7.834 1.00 0.00 H new ATOM 0 HA VAL A 89 0.067 -3.705 7.309 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.342 -4.458 5.608 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.324 -3.094 3.830 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.784 -2.109 5.239 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.078 -2.541 4.974 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.645 -5.451 4.123 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.627 -4.995 5.280 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.614 -6.183 5.745 1.00 0.00 H new ATOM 1364 N ASN A 90 -1.117 -1.486 7.557 1.00 0.00 N ATOM 1365 CA ASN A 90 -1.739 -0.228 7.952 1.00 0.00 C ATOM 1366 C ASN A 90 -0.887 0.961 7.518 1.00 0.00 C ATOM 1367 O ASN A 90 0.338 0.866 7.440 1.00 0.00 O ATOM 1368 CB ASN A 90 -1.949 -0.193 9.467 1.00 0.00 C ATOM 1369 CG ASN A 90 -0.885 -0.973 10.217 1.00 0.00 C ATOM 1370 OD1 ASN A 90 0.217 -0.476 10.448 1.00 0.00 O ATOM 1371 ND2 ASN A 90 -1.212 -2.201 10.599 1.00 0.00 N ATOM 0 H ASN A 90 -0.156 -1.396 7.226 1.00 0.00 H new ATOM 0 HA ASN A 90 -2.707 -0.159 7.456 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -1.944 0.842 9.808 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.931 -0.602 9.704 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -0.538 -2.774 11.106 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.138 -2.572 10.386 1.00 0.00 H new ATOM 1378 N LYS A 91 -1.544 2.081 7.236 1.00 0.00 N ATOM 1379 CA LYS A 91 -0.848 3.290 6.811 1.00 0.00 C ATOM 1380 C LYS A 91 0.415 3.510 7.638 1.00 0.00 C ATOM 1381 O LYS A 91 0.378 3.466 8.867 1.00 0.00 O ATOM 1382 CB LYS A 91 -1.771 4.504 6.936 1.00 0.00 C ATOM 1383 CG LYS A 91 -2.558 4.803 5.672 1.00 0.00 C ATOM 1384 CD LYS A 91 -3.547 3.694 5.356 1.00 0.00 C ATOM 1385 CE LYS A 91 -4.854 3.881 6.112 1.00 0.00 C ATOM 1386 NZ LYS A 91 -5.813 2.773 5.843 1.00 0.00 N ATOM 0 H LYS A 91 -2.558 2.177 7.294 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.560 3.166 5.767 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.468 4.337 7.757 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.174 5.378 7.198 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.092 5.746 5.789 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.871 4.928 4.835 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.745 3.676 4.284 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.110 2.730 5.616 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.651 3.934 7.182 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.306 4.831 5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.720 2.979 6.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.961 2.684 4.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.427 1.882 6.216 1.00 0.00 H new ATOM 1400 N ALA A 92 1.529 3.749 6.955 1.00 0.00 N ATOM 1401 CA ALA A 92 2.802 3.980 7.627 1.00 0.00 C ATOM 1402 C ALA A 92 2.726 5.196 8.543 1.00 0.00 C ATOM 1403 O ALA A 92 1.973 6.135 8.284 1.00 0.00 O ATOM 1404 CB ALA A 92 3.915 4.156 6.604 1.00 0.00 C ATOM 0 H ALA A 92 1.576 3.788 5.937 1.00 0.00 H new ATOM 0 HA ALA A 92 3.024 3.108 8.242 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.860 4.328 7.120 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.993 3.257 5.993 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.690 5.010 5.965 1.00 0.00 H new