USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 499 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 ASN : amide:sc= -1.02 K(o=-1.5,f=-2.5!) USER MOD Set 1.2: A 74 LYS NZ :NH3+ -147:sc= -0.481 (180deg=-0.581) USER MOD Set 2.1: A 66 TYR OH : rot 180:sc= 0.0455 USER MOD Set 2.2: A 70 SER OG : rot 103:sc= 1.83 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.0521 USER MOD Single : A 28 THR OG1 : rot -29:sc= 0.116 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.437 K(o=-0.44,f=-1.2) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -2.11 K(o=-2.1,f=-1.5) USER MOD Single : A 49 LYS NZ :NH3+ -148:sc= -0.0571 (180deg=-0.826) USER MOD Single : A 50 ASN : amide:sc= -2.31 K(o=-2.3,f=-5.7!) USER MOD Single : A 51 LYS NZ :NH3+ -159:sc= -0.0486 (180deg=-0.364) USER MOD Single : A 61 GLN : amide:sc= -2.15! K(o=-2.2!,f=-2.7) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 75:sc= 0.0257 USER MOD ----------------------------------------------------------------- ATOM 191 N ASP A 16 -0.305 1.999 4.563 1.00 0.00 N ATOM 192 CA ASP A 16 1.065 2.242 4.128 1.00 0.00 C ATOM 193 C ASP A 16 1.246 1.861 2.662 1.00 0.00 C ATOM 194 O ASP A 16 1.586 2.701 1.829 1.00 0.00 O ATOM 195 CB ASP A 16 2.046 1.453 4.998 1.00 0.00 C ATOM 196 CG ASP A 16 2.460 2.216 6.241 1.00 0.00 C ATOM 197 OD1 ASP A 16 3.348 3.086 6.134 1.00 0.00 O ATOM 198 OD2 ASP A 16 1.896 1.941 7.321 1.00 0.00 O ATOM 0 HA ASP A 16 1.271 3.307 4.236 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.589 0.508 5.291 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.932 1.210 4.412 1.00 0.00 H new ATOM 203 N PHE A 17 1.019 0.588 2.354 1.00 0.00 N ATOM 204 CA PHE A 17 1.159 0.095 0.989 1.00 0.00 C ATOM 205 C PHE A 17 0.000 -0.828 0.623 1.00 0.00 C ATOM 206 O PHE A 17 -0.594 -1.470 1.489 1.00 0.00 O ATOM 207 CB PHE A 17 2.487 -0.646 0.826 1.00 0.00 C ATOM 208 CG PHE A 17 2.540 -1.952 1.566 1.00 0.00 C ATOM 209 CD1 PHE A 17 1.767 -3.027 1.156 1.00 0.00 C ATOM 210 CD2 PHE A 17 3.362 -2.105 2.671 1.00 0.00 C ATOM 211 CE1 PHE A 17 1.813 -4.230 1.836 1.00 0.00 C ATOM 212 CE2 PHE A 17 3.412 -3.306 3.354 1.00 0.00 C ATOM 213 CZ PHE A 17 2.637 -4.370 2.935 1.00 0.00 C ATOM 0 H PHE A 17 0.737 -0.121 3.031 1.00 0.00 H new ATOM 0 HA PHE A 17 1.144 0.952 0.316 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.663 -0.831 -0.234 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.296 -0.006 1.177 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.122 -2.924 0.296 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.971 -1.277 3.002 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.205 -5.060 1.508 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.056 -3.412 4.214 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.676 -5.310 3.466 1.00 0.00 H new ATOM 223 N ASP A 18 -0.316 -0.887 -0.666 1.00 0.00 N ATOM 224 CA ASP A 18 -1.403 -1.731 -1.149 1.00 0.00 C ATOM 225 C ASP A 18 -0.898 -3.133 -1.475 1.00 0.00 C ATOM 226 O ASP A 18 0.197 -3.318 -2.006 1.00 0.00 O ATOM 227 CB ASP A 18 -2.050 -1.108 -2.387 1.00 0.00 C ATOM 228 CG ASP A 18 -3.521 -1.453 -2.507 1.00 0.00 C ATOM 229 OD1 ASP A 18 -4.343 -0.786 -1.844 1.00 0.00 O ATOM 230 OD2 ASP A 18 -3.851 -2.391 -3.263 1.00 0.00 O ATOM 0 H ASP A 18 0.165 -0.360 -1.395 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.149 -1.807 -0.358 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.936 -0.025 -2.347 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.525 -1.451 -3.279 1.00 0.00 H new ATOM 235 N PRO A 19 -1.714 -4.147 -1.148 1.00 0.00 N ATOM 236 CA PRO A 19 -1.372 -5.550 -1.397 1.00 0.00 C ATOM 237 C PRO A 19 -1.378 -5.895 -2.882 1.00 0.00 C ATOM 238 O PRO A 19 -0.582 -6.713 -3.343 1.00 0.00 O ATOM 239 CB PRO A 19 -2.475 -6.319 -0.665 1.00 0.00 C ATOM 240 CG PRO A 19 -3.628 -5.378 -0.621 1.00 0.00 C ATOM 241 CD PRO A 19 -3.034 -4.000 -0.512 1.00 0.00 C ATOM 0 HA PRO A 19 -0.366 -5.790 -1.054 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.734 -7.237 -1.192 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.159 -6.605 0.338 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.241 -5.469 -1.518 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.275 -5.593 0.230 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.646 -3.257 -1.023 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.947 -3.681 0.527 1.00 0.00 H new ATOM 249 N TYR A 20 -2.281 -5.265 -3.626 1.00 0.00 N ATOM 250 CA TYR A 20 -2.392 -5.507 -5.060 1.00 0.00 C ATOM 251 C TYR A 20 -1.242 -4.846 -5.814 1.00 0.00 C ATOM 252 O TYR A 20 -0.842 -5.304 -6.885 1.00 0.00 O ATOM 253 CB TYR A 20 -3.729 -4.982 -5.585 1.00 0.00 C ATOM 254 CG TYR A 20 -4.884 -5.931 -5.354 1.00 0.00 C ATOM 255 CD1 TYR A 20 -5.071 -7.040 -6.169 1.00 0.00 C ATOM 256 CD2 TYR A 20 -5.788 -5.718 -4.320 1.00 0.00 C ATOM 257 CE1 TYR A 20 -6.126 -7.909 -5.963 1.00 0.00 C ATOM 258 CE2 TYR A 20 -6.844 -6.582 -4.105 1.00 0.00 C ATOM 259 CZ TYR A 20 -7.009 -7.676 -4.929 1.00 0.00 C ATOM 260 OH TYR A 20 -8.059 -8.539 -4.719 1.00 0.00 O ATOM 0 H TYR A 20 -2.946 -4.584 -3.260 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.341 -6.583 -5.226 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.950 -4.029 -5.104 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.639 -4.786 -6.653 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.380 -7.227 -6.978 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.663 -4.862 -3.673 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.258 -8.765 -6.608 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -7.537 -6.402 -3.296 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.585 -8.233 -3.951 1.00 0.00 H new ATOM 270 N ARG A 21 -0.715 -3.765 -5.248 1.00 0.00 N ATOM 271 CA ARG A 21 0.388 -3.040 -5.866 1.00 0.00 C ATOM 272 C ARG A 21 1.713 -3.756 -5.624 1.00 0.00 C ATOM 273 O ARG A 21 2.544 -3.869 -6.526 1.00 0.00 O ATOM 274 CB ARG A 21 0.459 -1.613 -5.317 1.00 0.00 C ATOM 275 CG ARG A 21 -0.632 -0.700 -5.851 1.00 0.00 C ATOM 276 CD ARG A 21 -0.281 -0.158 -7.227 1.00 0.00 C ATOM 277 NE ARG A 21 -1.460 0.315 -7.947 1.00 0.00 N ATOM 278 CZ ARG A 21 -2.001 1.515 -7.763 1.00 0.00 C ATOM 279 NH1 ARG A 21 -1.471 2.358 -6.888 1.00 0.00 N ATOM 280 NH2 ARG A 21 -3.075 1.873 -8.456 1.00 0.00 N ATOM 0 H ARG A 21 -1.034 -3.372 -4.362 1.00 0.00 H new ATOM 0 HA ARG A 21 0.207 -3.001 -6.940 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.392 -1.647 -4.230 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.431 -1.186 -5.563 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.573 -1.248 -5.904 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.784 0.129 -5.160 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.432 0.660 -7.123 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.210 -0.938 -7.809 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.892 -0.309 -8.628 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.646 2.086 -6.354 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.888 3.278 -6.749 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.486 1.227 -9.130 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.490 2.794 -8.314 1.00 0.00 H new ATOM 294 N VAL A 22 1.905 -4.238 -4.400 1.00 0.00 N ATOM 295 CA VAL A 22 3.128 -4.944 -4.039 1.00 0.00 C ATOM 296 C VAL A 22 3.274 -6.235 -4.837 1.00 0.00 C ATOM 297 O VAL A 22 4.239 -6.412 -5.582 1.00 0.00 O ATOM 298 CB VAL A 22 3.162 -5.277 -2.536 1.00 0.00 C ATOM 299 CG1 VAL A 22 4.364 -6.149 -2.208 1.00 0.00 C ATOM 300 CG2 VAL A 22 3.178 -4.000 -1.709 1.00 0.00 C ATOM 0 H VAL A 22 1.228 -4.152 -3.642 1.00 0.00 H new ATOM 0 HA VAL A 22 3.958 -4.278 -4.275 1.00 0.00 H new ATOM 0 HB VAL A 22 2.260 -5.835 -2.285 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.370 -6.373 -1.141 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.304 -7.079 -2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.280 -5.621 -2.473 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.202 -4.253 -0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.061 -3.414 -1.962 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.282 -3.417 -1.923 1.00 0.00 H new ATOM 310 N LEU A 23 2.309 -7.135 -4.677 1.00 0.00 N ATOM 311 CA LEU A 23 2.329 -8.411 -5.384 1.00 0.00 C ATOM 312 C LEU A 23 2.354 -8.197 -6.894 1.00 0.00 C ATOM 313 O LEU A 23 2.933 -8.991 -7.634 1.00 0.00 O ATOM 314 CB LEU A 23 1.110 -9.250 -4.996 1.00 0.00 C ATOM 315 CG LEU A 23 1.180 -9.947 -3.637 1.00 0.00 C ATOM 316 CD1 LEU A 23 -0.184 -10.498 -3.250 1.00 0.00 C ATOM 317 CD2 LEU A 23 2.219 -11.059 -3.661 1.00 0.00 C ATOM 0 H LEU A 23 1.504 -7.005 -4.065 1.00 0.00 H new ATOM 0 HA LEU A 23 3.236 -8.944 -5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.232 -8.605 -5.006 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.957 -10.009 -5.764 1.00 0.00 H new ATOM 0 HG LEU A 23 1.479 -9.214 -2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.116 -10.991 -2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.903 -9.681 -3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.512 -11.218 -4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.255 -11.544 -2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.950 -11.792 -4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.197 -10.638 -3.893 1.00 0.00 H new ATOM 329 N GLY A 24 1.723 -7.117 -7.344 1.00 0.00 N ATOM 330 CA GLY A 24 1.686 -6.817 -8.764 1.00 0.00 C ATOM 331 C GLY A 24 0.466 -7.399 -9.448 1.00 0.00 C ATOM 332 O GLY A 24 0.564 -7.952 -10.544 1.00 0.00 O ATOM 0 H GLY A 24 1.237 -6.444 -6.751 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.696 -5.736 -8.904 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.586 -7.208 -9.238 1.00 0.00 H new ATOM 336 N VAL A 25 -0.689 -7.277 -8.801 1.00 0.00 N ATOM 337 CA VAL A 25 -1.934 -7.797 -9.354 1.00 0.00 C ATOM 338 C VAL A 25 -3.064 -6.784 -9.208 1.00 0.00 C ATOM 339 O VAL A 25 -2.896 -5.737 -8.584 1.00 0.00 O ATOM 340 CB VAL A 25 -2.346 -9.113 -8.669 1.00 0.00 C ATOM 341 CG1 VAL A 25 -1.524 -10.275 -9.204 1.00 0.00 C ATOM 342 CG2 VAL A 25 -2.199 -8.996 -7.159 1.00 0.00 C ATOM 0 H VAL A 25 -0.788 -6.823 -7.893 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.756 -7.988 -10.412 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.394 -9.307 -8.896 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.830 -11.196 -8.708 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.685 -10.371 -10.278 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.467 -10.092 -9.011 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.494 -9.935 -6.691 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.160 -8.778 -6.910 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.837 -8.192 -6.793 1.00 0.00 H new ATOM 352 N SER A 26 -4.217 -7.105 -9.787 1.00 0.00 N ATOM 353 CA SER A 26 -5.375 -6.222 -9.725 1.00 0.00 C ATOM 354 C SER A 26 -6.555 -6.919 -9.053 1.00 0.00 C ATOM 355 O SER A 26 -6.477 -8.098 -8.706 1.00 0.00 O ATOM 356 CB SER A 26 -5.772 -5.765 -11.130 1.00 0.00 C ATOM 357 OG SER A 26 -6.363 -4.477 -11.100 1.00 0.00 O ATOM 0 H SER A 26 -4.374 -7.970 -10.304 1.00 0.00 H new ATOM 0 HA SER A 26 -5.103 -5.350 -9.130 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.892 -5.750 -11.773 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.472 -6.479 -11.564 1.00 0.00 H new ATOM 0 HG SER A 26 -6.606 -4.207 -12.010 1.00 0.00 H new ATOM 363 N ARG A 27 -7.645 -6.182 -8.873 1.00 0.00 N ATOM 364 CA ARG A 27 -8.841 -6.728 -8.241 1.00 0.00 C ATOM 365 C ARG A 27 -9.322 -7.975 -8.977 1.00 0.00 C ATOM 366 O ARG A 27 -9.906 -8.878 -8.376 1.00 0.00 O ATOM 367 CB ARG A 27 -9.953 -5.678 -8.213 1.00 0.00 C ATOM 368 CG ARG A 27 -10.488 -5.320 -9.590 1.00 0.00 C ATOM 369 CD ARG A 27 -9.648 -4.237 -10.249 1.00 0.00 C ATOM 370 NE ARG A 27 -10.436 -3.411 -11.160 1.00 0.00 N ATOM 371 CZ ARG A 27 -11.314 -2.500 -10.753 1.00 0.00 C ATOM 372 NH1 ARG A 27 -11.513 -2.300 -9.457 1.00 0.00 N ATOM 373 NH2 ARG A 27 -11.993 -1.788 -11.642 1.00 0.00 N ATOM 0 H ARG A 27 -7.726 -5.205 -9.155 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.587 -7.006 -7.218 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.774 -6.047 -7.598 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -9.576 -4.775 -7.733 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -10.497 -6.209 -10.221 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -11.520 -4.980 -9.504 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.203 -3.605 -9.480 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.827 -4.699 -10.797 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.305 -3.540 -12.163 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.992 -2.846 -8.771 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.187 -1.600 -9.147 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.842 -1.939 -12.639 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.667 -1.089 -11.329 1.00 0.00 H new ATOM 387 N THR A 28 -9.075 -8.019 -10.282 1.00 0.00 N ATOM 388 CA THR A 28 -9.484 -9.154 -11.100 1.00 0.00 C ATOM 389 C THR A 28 -8.689 -10.404 -10.742 1.00 0.00 C ATOM 390 O THR A 28 -9.097 -11.522 -11.057 1.00 0.00 O ATOM 391 CB THR A 28 -9.305 -8.858 -12.601 1.00 0.00 C ATOM 392 OG1 THR A 28 -9.790 -9.958 -13.379 1.00 0.00 O ATOM 393 CG2 THR A 28 -7.843 -8.602 -12.932 1.00 0.00 C ATOM 0 H THR A 28 -8.593 -7.281 -10.796 1.00 0.00 H new ATOM 0 HA THR A 28 -10.540 -9.327 -10.895 1.00 0.00 H new ATOM 0 HB THR A 28 -9.878 -7.963 -12.842 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.694 -10.788 -12.867 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.742 -8.395 -13.997 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.485 -7.745 -12.361 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.252 -9.481 -12.675 1.00 0.00 H new ATOM 401 N ALA A 29 -7.553 -10.209 -10.082 1.00 0.00 N ATOM 402 CA ALA A 29 -6.702 -11.322 -9.679 1.00 0.00 C ATOM 403 C ALA A 29 -7.288 -12.052 -8.475 1.00 0.00 C ATOM 404 O ALA A 29 -7.482 -11.461 -7.413 1.00 0.00 O ATOM 405 CB ALA A 29 -5.298 -10.827 -9.367 1.00 0.00 C ATOM 0 H ALA A 29 -7.200 -9.290 -9.815 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.650 -12.027 -10.509 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.674 -11.669 -9.067 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.873 -10.357 -10.254 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.340 -10.100 -8.556 1.00 0.00 H new ATOM 411 N SER A 30 -7.567 -13.340 -8.648 1.00 0.00 N ATOM 412 CA SER A 30 -8.135 -14.150 -7.577 1.00 0.00 C ATOM 413 C SER A 30 -7.045 -14.935 -6.853 1.00 0.00 C ATOM 414 O SER A 30 -5.891 -14.953 -7.281 1.00 0.00 O ATOM 415 CB SER A 30 -9.185 -15.111 -8.137 1.00 0.00 C ATOM 416 OG SER A 30 -10.330 -14.409 -8.589 1.00 0.00 O ATOM 0 H SER A 30 -7.409 -13.845 -9.520 1.00 0.00 H new ATOM 0 HA SER A 30 -8.612 -13.480 -6.862 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.757 -15.683 -8.960 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.474 -15.827 -7.368 1.00 0.00 H new ATOM 0 HG SER A 30 -10.985 -15.046 -8.944 1.00 0.00 H new ATOM 422 N GLN A 31 -7.421 -15.582 -5.755 1.00 0.00 N ATOM 423 CA GLN A 31 -6.476 -16.368 -4.971 1.00 0.00 C ATOM 424 C GLN A 31 -5.526 -17.143 -5.880 1.00 0.00 C ATOM 425 O GLN A 31 -4.358 -17.340 -5.548 1.00 0.00 O ATOM 426 CB GLN A 31 -7.223 -17.336 -4.052 1.00 0.00 C ATOM 427 CG GLN A 31 -7.898 -16.655 -2.872 1.00 0.00 C ATOM 428 CD GLN A 31 -6.909 -16.198 -1.818 1.00 0.00 C ATOM 429 OE1 GLN A 31 -6.262 -17.014 -1.162 1.00 0.00 O ATOM 430 NE2 GLN A 31 -6.786 -14.886 -1.651 1.00 0.00 N ATOM 0 H GLN A 31 -8.373 -15.578 -5.388 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.888 -15.681 -4.362 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.976 -17.868 -4.633 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.523 -18.083 -3.678 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.465 -15.796 -3.229 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.612 -17.343 -2.420 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.343 -14.245 -2.217 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.135 -14.519 -0.957 1.00 0.00 H new ATOM 439 N ALA A 32 -6.037 -17.579 -7.026 1.00 0.00 N ATOM 440 CA ALA A 32 -5.234 -18.330 -7.983 1.00 0.00 C ATOM 441 C ALA A 32 -4.083 -17.485 -8.518 1.00 0.00 C ATOM 442 O ALA A 32 -2.916 -17.761 -8.239 1.00 0.00 O ATOM 443 CB ALA A 32 -6.105 -18.825 -9.129 1.00 0.00 C ATOM 0 H ALA A 32 -7.003 -17.425 -7.315 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.808 -19.190 -7.466 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.492 -19.384 -9.836 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.889 -19.473 -8.737 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.558 -17.973 -9.636 1.00 0.00 H new ATOM 449 N ASP A 33 -4.420 -16.455 -9.286 1.00 0.00 N ATOM 450 CA ASP A 33 -3.414 -15.568 -9.860 1.00 0.00 C ATOM 451 C ASP A 33 -2.518 -14.986 -8.771 1.00 0.00 C ATOM 452 O ASP A 33 -1.298 -14.923 -8.925 1.00 0.00 O ATOM 453 CB ASP A 33 -4.085 -14.439 -10.643 1.00 0.00 C ATOM 454 CG ASP A 33 -3.228 -13.939 -11.789 1.00 0.00 C ATOM 455 OD1 ASP A 33 -2.956 -14.731 -12.716 1.00 0.00 O ATOM 456 OD2 ASP A 33 -2.829 -12.756 -11.759 1.00 0.00 O ATOM 0 H ASP A 33 -5.382 -16.213 -9.526 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.795 -16.153 -10.540 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.040 -14.790 -11.034 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.302 -13.611 -9.968 1.00 0.00 H new ATOM 461 N ILE A 34 -3.132 -14.561 -7.672 1.00 0.00 N ATOM 462 CA ILE A 34 -2.390 -13.984 -6.557 1.00 0.00 C ATOM 463 C ILE A 34 -1.376 -14.977 -5.999 1.00 0.00 C ATOM 464 O ILE A 34 -0.167 -14.769 -6.098 1.00 0.00 O ATOM 465 CB ILE A 34 -3.333 -13.538 -5.424 1.00 0.00 C ATOM 466 CG1 ILE A 34 -4.414 -12.603 -5.969 1.00 0.00 C ATOM 467 CG2 ILE A 34 -2.544 -12.856 -4.317 1.00 0.00 C ATOM 468 CD1 ILE A 34 -5.592 -12.433 -5.035 1.00 0.00 C ATOM 0 H ILE A 34 -4.141 -14.605 -7.530 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.864 -13.112 -6.945 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.819 -14.420 -5.007 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.973 -11.626 -6.166 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.770 -12.990 -6.924 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.224 -12.546 -3.523 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.808 -13.551 -3.913 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.034 -11.981 -4.720 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.319 -11.757 -5.486 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.058 -13.402 -4.858 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.248 -12.017 -4.088 1.00 0.00 H new ATOM 480 N LYS A 35 -1.877 -16.059 -5.414 1.00 0.00 N ATOM 481 CA LYS A 35 -1.016 -17.088 -4.842 1.00 0.00 C ATOM 482 C LYS A 35 0.204 -17.329 -5.724 1.00 0.00 C ATOM 483 O LYS A 35 1.331 -17.414 -5.235 1.00 0.00 O ATOM 484 CB LYS A 35 -1.796 -18.393 -4.664 1.00 0.00 C ATOM 485 CG LYS A 35 -0.951 -19.538 -4.131 1.00 0.00 C ATOM 486 CD LYS A 35 -1.623 -20.881 -4.363 1.00 0.00 C ATOM 487 CE LYS A 35 -2.739 -21.127 -3.360 1.00 0.00 C ATOM 488 NZ LYS A 35 -3.719 -22.133 -3.855 1.00 0.00 N ATOM 0 H LYS A 35 -2.875 -16.247 -5.323 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.674 -16.740 -3.867 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.629 -18.219 -3.982 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.225 -18.684 -5.623 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.024 -19.529 -4.618 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.776 -19.397 -3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.027 -20.917 -5.375 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.883 -21.677 -4.287 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.311 -21.470 -2.418 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.255 -20.189 -3.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.464 -22.272 -3.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.146 -21.795 -4.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.232 -23.036 -4.028 1.00 0.00 H new ATOM 502 N LYS A 36 -0.026 -17.437 -7.028 1.00 0.00 N ATOM 503 CA LYS A 36 1.054 -17.665 -7.981 1.00 0.00 C ATOM 504 C LYS A 36 2.013 -16.479 -8.010 1.00 0.00 C ATOM 505 O LYS A 36 3.223 -16.651 -8.151 1.00 0.00 O ATOM 506 CB LYS A 36 0.485 -17.908 -9.380 1.00 0.00 C ATOM 507 CG LYS A 36 1.470 -17.614 -10.498 1.00 0.00 C ATOM 508 CD LYS A 36 0.830 -17.781 -11.865 1.00 0.00 C ATOM 509 CE LYS A 36 1.754 -17.306 -12.976 1.00 0.00 C ATOM 510 NZ LYS A 36 1.128 -17.452 -14.319 1.00 0.00 N ATOM 0 H LYS A 36 -0.952 -17.370 -7.450 1.00 0.00 H new ATOM 0 HA LYS A 36 1.606 -18.549 -7.662 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.162 -18.946 -9.456 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.401 -17.287 -9.515 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.847 -16.596 -10.394 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.328 -18.281 -10.413 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.578 -18.829 -12.024 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.103 -17.219 -11.902 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.015 -16.261 -12.809 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.683 -17.876 -12.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.789 -17.117 -15.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.902 -18.453 -14.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.255 -16.888 -14.358 1.00 0.00 H new ATOM 524 N ALA A 37 1.464 -15.276 -7.875 1.00 0.00 N ATOM 525 CA ALA A 37 2.271 -14.062 -7.882 1.00 0.00 C ATOM 526 C ALA A 37 3.096 -13.944 -6.605 1.00 0.00 C ATOM 527 O ALA A 37 4.242 -13.495 -6.634 1.00 0.00 O ATOM 528 CB ALA A 37 1.383 -12.839 -8.055 1.00 0.00 C ATOM 0 H ALA A 37 0.463 -15.116 -7.759 1.00 0.00 H new ATOM 0 HA ALA A 37 2.960 -14.118 -8.724 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.999 -11.940 -8.058 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.843 -12.912 -8.999 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.670 -12.787 -7.232 1.00 0.00 H new ATOM 534 N TYR A 38 2.505 -14.348 -5.486 1.00 0.00 N ATOM 535 CA TYR A 38 3.185 -14.283 -4.197 1.00 0.00 C ATOM 536 C TYR A 38 4.395 -15.211 -4.173 1.00 0.00 C ATOM 537 O TYR A 38 5.535 -14.762 -4.055 1.00 0.00 O ATOM 538 CB TYR A 38 2.220 -14.655 -3.070 1.00 0.00 C ATOM 539 CG TYR A 38 2.903 -15.265 -1.866 1.00 0.00 C ATOM 540 CD1 TYR A 38 3.540 -14.467 -0.925 1.00 0.00 C ATOM 541 CD2 TYR A 38 2.908 -16.641 -1.670 1.00 0.00 C ATOM 542 CE1 TYR A 38 4.165 -15.020 0.176 1.00 0.00 C ATOM 543 CE2 TYR A 38 3.530 -17.203 -0.571 1.00 0.00 C ATOM 544 CZ TYR A 38 4.157 -16.388 0.348 1.00 0.00 C ATOM 545 OH TYR A 38 4.778 -16.944 1.444 1.00 0.00 O ATOM 0 H TYR A 38 1.558 -14.724 -5.445 1.00 0.00 H new ATOM 0 HA TYR A 38 3.531 -13.260 -4.047 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.679 -13.762 -2.757 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.481 -15.358 -3.453 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.547 -13.395 -1.056 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.418 -17.282 -2.388 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.657 -14.385 0.898 1.00 0.00 H new ATOM 0 HE2 TYR A 38 3.525 -18.274 -0.433 1.00 0.00 H new ATOM 0 HH TYR A 38 4.680 -17.919 1.416 1.00 0.00 H new ATOM 555 N LYS A 39 4.139 -16.510 -4.286 1.00 0.00 N ATOM 556 CA LYS A 39 5.206 -17.505 -4.279 1.00 0.00 C ATOM 557 C LYS A 39 6.326 -17.107 -5.235 1.00 0.00 C ATOM 558 O LYS A 39 7.489 -17.014 -4.840 1.00 0.00 O ATOM 559 CB LYS A 39 4.653 -18.878 -4.668 1.00 0.00 C ATOM 560 CG LYS A 39 4.172 -19.697 -3.483 1.00 0.00 C ATOM 561 CD LYS A 39 3.036 -20.629 -3.874 1.00 0.00 C ATOM 562 CE LYS A 39 3.013 -21.875 -3.003 1.00 0.00 C ATOM 563 NZ LYS A 39 2.213 -22.969 -3.620 1.00 0.00 N ATOM 0 H LYS A 39 3.201 -16.899 -4.384 1.00 0.00 H new ATOM 0 HA LYS A 39 5.614 -17.557 -3.270 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.826 -18.743 -5.366 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.427 -19.436 -5.195 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.001 -20.280 -3.082 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.839 -19.029 -2.689 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.085 -20.103 -3.784 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.144 -20.917 -4.920 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.033 -22.221 -2.837 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.597 -21.628 -2.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.222 -23.800 -2.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.233 -22.648 -3.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.624 -23.223 -4.541 1.00 0.00 H new ATOM 577 N LYS A 40 5.969 -16.871 -6.493 1.00 0.00 N ATOM 578 CA LYS A 40 6.943 -16.480 -7.504 1.00 0.00 C ATOM 579 C LYS A 40 7.818 -15.334 -7.004 1.00 0.00 C ATOM 580 O LYS A 40 9.044 -15.383 -7.111 1.00 0.00 O ATOM 581 CB LYS A 40 6.232 -16.066 -8.794 1.00 0.00 C ATOM 582 CG LYS A 40 7.154 -15.432 -9.821 1.00 0.00 C ATOM 583 CD LYS A 40 6.374 -14.629 -10.850 1.00 0.00 C ATOM 584 CE LYS A 40 6.164 -13.193 -10.393 1.00 0.00 C ATOM 585 NZ LYS A 40 5.312 -12.428 -11.344 1.00 0.00 N ATOM 0 H LYS A 40 5.011 -16.944 -6.836 1.00 0.00 H new ATOM 0 HA LYS A 40 7.582 -17.340 -7.707 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.759 -16.943 -9.236 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.436 -15.363 -8.550 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.869 -14.782 -9.317 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.729 -16.209 -10.324 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.909 -14.635 -11.800 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.407 -15.101 -11.025 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.700 -13.190 -9.407 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.130 -12.699 -10.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.193 -11.455 -10.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.766 -12.409 -12.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.381 -12.885 -11.421 1.00 0.00 H new ATOM 599 N LEU A 41 7.180 -14.305 -6.457 1.00 0.00 N ATOM 600 CA LEU A 41 7.900 -13.147 -5.938 1.00 0.00 C ATOM 601 C LEU A 41 8.817 -13.547 -4.787 1.00 0.00 C ATOM 602 O LEU A 41 10.030 -13.349 -4.849 1.00 0.00 O ATOM 603 CB LEU A 41 6.913 -12.076 -5.470 1.00 0.00 C ATOM 604 CG LEU A 41 6.494 -11.046 -6.519 1.00 0.00 C ATOM 605 CD1 LEU A 41 5.236 -10.315 -6.076 1.00 0.00 C ATOM 606 CD2 LEU A 41 7.623 -10.059 -6.778 1.00 0.00 C ATOM 0 H LEU A 41 6.166 -14.249 -6.361 1.00 0.00 H new ATOM 0 HA LEU A 41 8.513 -12.741 -6.742 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.017 -12.573 -5.100 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.355 -11.546 -4.626 1.00 0.00 H new ATOM 0 HG LEU A 41 6.276 -11.571 -7.449 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.953 -9.586 -6.835 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.426 -11.032 -5.942 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.426 -9.802 -5.133 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.307 -9.333 -7.527 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.872 -9.540 -5.852 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.500 -10.596 -7.140 1.00 0.00 H new ATOM 618 N ALA A 42 8.230 -14.113 -3.738 1.00 0.00 N ATOM 619 CA ALA A 42 8.995 -14.545 -2.575 1.00 0.00 C ATOM 620 C ALA A 42 10.209 -15.369 -2.991 1.00 0.00 C ATOM 621 O ALA A 42 11.302 -15.196 -2.452 1.00 0.00 O ATOM 622 CB ALA A 42 8.111 -15.345 -1.629 1.00 0.00 C ATOM 0 H ALA A 42 7.227 -14.283 -3.670 1.00 0.00 H new ATOM 0 HA ALA A 42 9.353 -13.656 -2.056 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.695 -15.661 -0.765 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.279 -14.725 -1.297 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.725 -16.223 -2.147 1.00 0.00 H new ATOM 628 N ARG A 43 10.009 -16.265 -3.952 1.00 0.00 N ATOM 629 CA ARG A 43 11.087 -17.117 -4.439 1.00 0.00 C ATOM 630 C ARG A 43 12.154 -16.290 -5.150 1.00 0.00 C ATOM 631 O ARG A 43 13.350 -16.505 -4.958 1.00 0.00 O ATOM 632 CB ARG A 43 10.535 -18.183 -5.387 1.00 0.00 C ATOM 633 CG ARG A 43 10.076 -19.448 -4.681 1.00 0.00 C ATOM 634 CD ARG A 43 9.334 -20.377 -5.629 1.00 0.00 C ATOM 635 NE ARG A 43 10.174 -20.806 -6.744 1.00 0.00 N ATOM 636 CZ ARG A 43 9.703 -21.410 -7.829 1.00 0.00 C ATOM 637 NH1 ARG A 43 8.405 -21.654 -7.945 1.00 0.00 N ATOM 638 NH2 ARG A 43 10.530 -21.771 -8.801 1.00 0.00 N ATOM 0 H ARG A 43 9.110 -16.420 -4.409 1.00 0.00 H new ATOM 0 HA ARG A 43 11.545 -17.608 -3.580 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.697 -17.763 -5.943 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.303 -18.442 -6.115 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.939 -19.966 -4.263 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.427 -19.185 -3.846 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.985 -21.252 -5.080 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.450 -19.870 -6.015 1.00 0.00 H new ATOM 0 HE ARG A 43 11.177 -20.632 -6.686 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.766 -21.378 -7.200 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.046 -22.118 -8.779 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.529 -21.585 -8.716 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.167 -22.235 -9.634 1.00 0.00 H new ATOM 652 N GLU A 44 11.711 -15.345 -5.974 1.00 0.00 N ATOM 653 CA GLU A 44 12.628 -14.487 -6.715 1.00 0.00 C ATOM 654 C GLU A 44 13.410 -13.581 -5.769 1.00 0.00 C ATOM 655 O GLU A 44 14.640 -13.628 -5.722 1.00 0.00 O ATOM 656 CB GLU A 44 11.860 -13.640 -7.732 1.00 0.00 C ATOM 657 CG GLU A 44 11.651 -14.334 -9.068 1.00 0.00 C ATOM 658 CD GLU A 44 12.880 -14.275 -9.955 1.00 0.00 C ATOM 659 OE1 GLU A 44 13.560 -13.228 -9.955 1.00 0.00 O ATOM 660 OE2 GLU A 44 13.160 -15.275 -10.648 1.00 0.00 O ATOM 0 H GLU A 44 10.724 -15.155 -6.145 1.00 0.00 H new ATOM 0 HA GLU A 44 13.335 -15.126 -7.245 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.889 -13.376 -7.313 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.400 -12.707 -7.897 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.383 -15.376 -8.894 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.811 -13.871 -9.586 1.00 0.00 H new ATOM 667 N TRP A 45 12.689 -12.757 -5.018 1.00 0.00 N ATOM 668 CA TRP A 45 13.315 -11.839 -4.073 1.00 0.00 C ATOM 669 C TRP A 45 13.746 -12.571 -2.807 1.00 0.00 C ATOM 670 O TRP A 45 14.144 -11.947 -1.823 1.00 0.00 O ATOM 671 CB TRP A 45 12.352 -10.704 -3.719 1.00 0.00 C ATOM 672 CG TRP A 45 11.947 -9.878 -4.902 1.00 0.00 C ATOM 673 CD1 TRP A 45 10.912 -10.126 -5.758 1.00 0.00 C ATOM 674 CD2 TRP A 45 12.569 -8.673 -5.359 1.00 0.00 C ATOM 675 NE1 TRP A 45 10.854 -9.146 -6.720 1.00 0.00 N ATOM 676 CE2 TRP A 45 11.859 -8.243 -6.497 1.00 0.00 C ATOM 677 CE3 TRP A 45 13.656 -7.913 -4.917 1.00 0.00 C ATOM 678 CZ2 TRP A 45 12.203 -7.090 -7.197 1.00 0.00 C ATOM 679 CZ3 TRP A 45 13.996 -6.769 -5.612 1.00 0.00 C ATOM 680 CH2 TRP A 45 13.271 -6.365 -6.742 1.00 0.00 C ATOM 0 H TRP A 45 11.671 -12.705 -5.045 1.00 0.00 H new ATOM 0 HA TRP A 45 14.202 -11.419 -4.546 1.00 0.00 H new ATOM 0 HB2 TRP A 45 11.459 -11.125 -3.256 1.00 0.00 H new ATOM 0 HB3 TRP A 45 12.821 -10.058 -2.977 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.239 -10.968 -5.689 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.173 -9.099 -7.478 1.00 0.00 H new ATOM 0 HE3 TRP A 45 14.220 -8.215 -4.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 11.647 -6.778 -8.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 14.835 -6.175 -5.279 1.00 0.00 H new ATOM 0 HH2 TRP A 45 13.561 -5.465 -7.263 1.00 0.00 H new ATOM 691 N HIS A 46 13.664 -13.897 -2.838 1.00 0.00 N ATOM 692 CA HIS A 46 14.047 -14.714 -1.692 1.00 0.00 C ATOM 693 C HIS A 46 15.464 -14.380 -1.236 1.00 0.00 C ATOM 694 O HIS A 46 16.423 -14.449 -2.006 1.00 0.00 O ATOM 695 CB HIS A 46 13.948 -16.199 -2.042 1.00 0.00 C ATOM 696 CG HIS A 46 13.652 -17.074 -0.862 1.00 0.00 C ATOM 697 ND1 HIS A 46 14.466 -18.118 -0.477 1.00 0.00 N ATOM 698 CD2 HIS A 46 12.625 -17.053 0.019 1.00 0.00 C ATOM 699 CE1 HIS A 46 13.951 -18.703 0.590 1.00 0.00 C ATOM 700 NE2 HIS A 46 12.834 -18.076 0.912 1.00 0.00 N ATOM 0 H HIS A 46 13.336 -14.429 -3.644 1.00 0.00 H new ATOM 0 HA HIS A 46 13.360 -14.494 -0.875 1.00 0.00 H new ATOM 0 HB2 HIS A 46 13.168 -16.336 -2.791 1.00 0.00 H new ATOM 0 HB3 HIS A 46 14.885 -16.520 -2.496 1.00 0.00 H new ATOM 0 HD2 HIS A 46 11.796 -16.361 0.020 1.00 0.00 H new ATOM 0 HE1 HIS A 46 14.372 -19.550 1.111 1.00 0.00 H new ATOM 0 HE2 HIS A 46 12.226 -18.313 1.696 1.00 0.00 H new ATOM 708 N PRO A 47 15.602 -14.009 0.045 1.00 0.00 N ATOM 709 CA PRO A 47 16.899 -13.657 0.632 1.00 0.00 C ATOM 710 C PRO A 47 17.815 -14.866 0.781 1.00 0.00 C ATOM 711 O PRO A 47 19.036 -14.749 0.673 1.00 0.00 O ATOM 712 CB PRO A 47 16.525 -13.096 2.006 1.00 0.00 C ATOM 713 CG PRO A 47 15.217 -13.730 2.332 1.00 0.00 C ATOM 714 CD PRO A 47 14.504 -13.905 1.020 1.00 0.00 C ATOM 0 HA PRO A 47 17.453 -12.957 0.007 1.00 0.00 H new ATOM 0 HB2 PRO A 47 17.280 -13.341 2.752 1.00 0.00 H new ATOM 0 HB3 PRO A 47 16.443 -12.009 1.981 1.00 0.00 H new ATOM 0 HG2 PRO A 47 15.361 -14.689 2.829 1.00 0.00 H new ATOM 0 HG3 PRO A 47 14.638 -13.104 3.010 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.879 -14.798 1.018 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.852 -13.060 0.802 1.00 0.00 H new ATOM 722 N ASP A 48 17.219 -16.027 1.030 1.00 0.00 N ATOM 723 CA ASP A 48 17.982 -17.259 1.193 1.00 0.00 C ATOM 724 C ASP A 48 18.888 -17.501 -0.010 1.00 0.00 C ATOM 725 O ASP A 48 19.970 -18.073 0.118 1.00 0.00 O ATOM 726 CB ASP A 48 17.038 -18.447 1.383 1.00 0.00 C ATOM 727 CG ASP A 48 17.695 -19.596 2.124 1.00 0.00 C ATOM 728 OD1 ASP A 48 17.897 -19.472 3.349 1.00 0.00 O ATOM 729 OD2 ASP A 48 18.007 -20.618 1.477 1.00 0.00 O ATOM 0 H ASP A 48 16.210 -16.141 1.123 1.00 0.00 H new ATOM 0 HA ASP A 48 18.607 -17.155 2.080 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.155 -18.121 1.933 1.00 0.00 H new ATOM 0 HB3 ASP A 48 16.696 -18.795 0.408 1.00 0.00 H new ATOM 734 N LYS A 49 18.437 -17.061 -1.181 1.00 0.00 N ATOM 735 CA LYS A 49 19.206 -17.229 -2.408 1.00 0.00 C ATOM 736 C LYS A 49 19.878 -15.920 -2.813 1.00 0.00 C ATOM 737 O LYS A 49 20.945 -15.923 -3.424 1.00 0.00 O ATOM 738 CB LYS A 49 18.299 -17.719 -3.539 1.00 0.00 C ATOM 739 CG LYS A 49 19.008 -17.844 -4.877 1.00 0.00 C ATOM 740 CD LYS A 49 18.152 -18.578 -5.895 1.00 0.00 C ATOM 741 CE LYS A 49 17.173 -17.637 -6.581 1.00 0.00 C ATOM 742 NZ LYS A 49 15.894 -17.522 -5.828 1.00 0.00 N ATOM 0 H LYS A 49 17.543 -16.586 -1.305 1.00 0.00 H new ATOM 0 HA LYS A 49 19.981 -17.973 -2.223 1.00 0.00 H new ATOM 0 HB2 LYS A 49 17.883 -18.689 -3.266 1.00 0.00 H new ATOM 0 HB3 LYS A 49 17.460 -17.031 -3.645 1.00 0.00 H new ATOM 0 HG2 LYS A 49 19.253 -16.851 -5.254 1.00 0.00 H new ATOM 0 HG3 LYS A 49 19.950 -18.375 -4.742 1.00 0.00 H new ATOM 0 HD2 LYS A 49 18.793 -19.045 -6.642 1.00 0.00 H new ATOM 0 HD3 LYS A 49 17.603 -19.379 -5.400 1.00 0.00 H new ATOM 0 HE2 LYS A 49 17.626 -16.651 -6.680 1.00 0.00 H new ATOM 0 HE3 LYS A 49 16.970 -17.997 -7.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 15.111 -17.366 -6.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 15.725 -18.399 -5.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 15.951 -16.721 -5.167 1.00 0.00 H new ATOM 756 N ASN A 50 19.246 -14.804 -2.465 1.00 0.00 N ATOM 757 CA ASN A 50 19.783 -13.488 -2.791 1.00 0.00 C ATOM 758 C ASN A 50 21.064 -13.214 -2.008 1.00 0.00 C ATOM 759 O ASN A 50 21.167 -13.550 -0.828 1.00 0.00 O ATOM 760 CB ASN A 50 18.747 -12.402 -2.492 1.00 0.00 C ATOM 761 CG ASN A 50 18.891 -11.199 -3.403 1.00 0.00 C ATOM 762 OD1 ASN A 50 20.001 -10.742 -3.676 1.00 0.00 O ATOM 763 ND2 ASN A 50 17.765 -10.680 -3.879 1.00 0.00 N ATOM 0 H ASN A 50 18.362 -14.785 -1.957 1.00 0.00 H new ATOM 0 HA ASN A 50 20.018 -13.473 -3.855 1.00 0.00 H new ATOM 0 HB2 ASN A 50 17.746 -12.819 -2.601 1.00 0.00 H new ATOM 0 HB3 ASN A 50 18.848 -12.083 -1.455 1.00 0.00 H new ATOM 0 HD21 ASN A 50 17.798 -9.870 -4.498 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.867 -11.092 -3.626 1.00 0.00 H new ATOM 770 N LYS A 51 22.037 -12.601 -2.672 1.00 0.00 N ATOM 771 CA LYS A 51 23.311 -12.279 -2.040 1.00 0.00 C ATOM 772 C LYS A 51 23.379 -10.800 -1.674 1.00 0.00 C ATOM 773 O LYS A 51 24.007 -10.424 -0.684 1.00 0.00 O ATOM 774 CB LYS A 51 24.471 -12.638 -2.971 1.00 0.00 C ATOM 775 CG LYS A 51 24.811 -14.119 -2.977 1.00 0.00 C ATOM 776 CD LYS A 51 25.558 -14.525 -1.718 1.00 0.00 C ATOM 777 CE LYS A 51 25.564 -16.035 -1.536 1.00 0.00 C ATOM 778 NZ LYS A 51 24.201 -16.565 -1.255 1.00 0.00 N ATOM 0 H LYS A 51 21.968 -12.317 -3.649 1.00 0.00 H new ATOM 0 HA LYS A 51 23.392 -12.866 -1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 51 24.221 -12.327 -3.985 1.00 0.00 H new ATOM 0 HB3 LYS A 51 25.354 -12.072 -2.673 1.00 0.00 H new ATOM 0 HG2 LYS A 51 23.895 -14.703 -3.062 1.00 0.00 H new ATOM 0 HG3 LYS A 51 25.418 -14.350 -3.852 1.00 0.00 H new ATOM 0 HD2 LYS A 51 26.584 -14.159 -1.768 1.00 0.00 H new ATOM 0 HD3 LYS A 51 25.094 -14.055 -0.851 1.00 0.00 H new ATOM 0 HE2 LYS A 51 25.959 -16.508 -2.435 1.00 0.00 H new ATOM 0 HE3 LYS A 51 26.233 -16.299 -0.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 24.278 -17.495 -0.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 23.696 -15.909 -0.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 23.675 -16.662 -2.147 1.00 0.00 H new ATOM 792 N ASP A 52 22.727 -9.966 -2.477 1.00 0.00 N ATOM 793 CA ASP A 52 22.711 -8.528 -2.236 1.00 0.00 C ATOM 794 C ASP A 52 22.092 -8.212 -0.878 1.00 0.00 C ATOM 795 O ASP A 52 20.972 -8.620 -0.569 1.00 0.00 O ATOM 796 CB ASP A 52 21.936 -7.812 -3.343 1.00 0.00 C ATOM 797 CG ASP A 52 22.631 -7.901 -4.687 1.00 0.00 C ATOM 798 OD1 ASP A 52 23.874 -7.780 -4.722 1.00 0.00 O ATOM 799 OD2 ASP A 52 21.933 -8.093 -5.704 1.00 0.00 O ATOM 0 H ASP A 52 22.203 -10.261 -3.301 1.00 0.00 H new ATOM 0 HA ASP A 52 23.741 -8.173 -2.237 1.00 0.00 H new ATOM 0 HB2 ASP A 52 20.939 -8.246 -3.423 1.00 0.00 H new ATOM 0 HB3 ASP A 52 21.807 -6.764 -3.073 1.00 0.00 H new ATOM 804 N PRO A 53 22.836 -7.468 -0.046 1.00 0.00 N ATOM 805 CA PRO A 53 22.381 -7.081 1.292 1.00 0.00 C ATOM 806 C PRO A 53 21.243 -6.067 1.247 1.00 0.00 C ATOM 807 O PRO A 53 21.460 -4.887 0.977 1.00 0.00 O ATOM 808 CB PRO A 53 23.627 -6.458 1.925 1.00 0.00 C ATOM 809 CG PRO A 53 24.437 -5.977 0.771 1.00 0.00 C ATOM 810 CD PRO A 53 24.180 -6.947 -0.349 1.00 0.00 C ATOM 0 HA PRO A 53 21.983 -7.930 1.848 1.00 0.00 H new ATOM 0 HB2 PRO A 53 23.364 -5.638 2.593 1.00 0.00 H new ATOM 0 HB3 PRO A 53 24.177 -7.188 2.518 1.00 0.00 H new ATOM 0 HG2 PRO A 53 24.147 -4.966 0.485 1.00 0.00 H new ATOM 0 HG3 PRO A 53 25.497 -5.945 1.024 1.00 0.00 H new ATOM 0 HD2 PRO A 53 24.211 -6.456 -1.321 1.00 0.00 H new ATOM 0 HD3 PRO A 53 24.924 -7.743 -0.370 1.00 0.00 H new ATOM 818 N GLY A 54 20.027 -6.536 1.513 1.00 0.00 N ATOM 819 CA GLY A 54 18.873 -5.657 1.497 1.00 0.00 C ATOM 820 C GLY A 54 17.657 -6.306 0.866 1.00 0.00 C ATOM 821 O GLY A 54 16.527 -6.061 1.285 1.00 0.00 O ATOM 0 H GLY A 54 19.821 -7.509 1.739 1.00 0.00 H new ATOM 0 HA2 GLY A 54 18.633 -5.359 2.518 1.00 0.00 H new ATOM 0 HA3 GLY A 54 19.121 -4.748 0.949 1.00 0.00 H new ATOM 825 N ALA A 55 17.890 -7.136 -0.145 1.00 0.00 N ATOM 826 CA ALA A 55 16.805 -7.823 -0.835 1.00 0.00 C ATOM 827 C ALA A 55 15.714 -8.246 0.142 1.00 0.00 C ATOM 828 O ALA A 55 14.525 -8.119 -0.148 1.00 0.00 O ATOM 829 CB ALA A 55 17.340 -9.032 -1.588 1.00 0.00 C ATOM 0 H ALA A 55 18.820 -7.349 -0.505 1.00 0.00 H new ATOM 0 HA ALA A 55 16.366 -7.128 -1.551 1.00 0.00 H new ATOM 0 HB1 ALA A 55 16.519 -9.535 -2.098 1.00 0.00 H new ATOM 0 HB2 ALA A 55 18.078 -8.707 -2.321 1.00 0.00 H new ATOM 0 HB3 ALA A 55 17.807 -9.721 -0.885 1.00 0.00 H new ATOM 835 N GLU A 56 16.127 -8.751 1.301 1.00 0.00 N ATOM 836 CA GLU A 56 15.184 -9.195 2.320 1.00 0.00 C ATOM 837 C GLU A 56 14.029 -8.207 2.459 1.00 0.00 C ATOM 838 O GLU A 56 12.862 -8.578 2.332 1.00 0.00 O ATOM 839 CB GLU A 56 15.893 -9.360 3.666 1.00 0.00 C ATOM 840 CG GLU A 56 14.977 -9.836 4.781 1.00 0.00 C ATOM 841 CD GLU A 56 15.542 -9.554 6.160 1.00 0.00 C ATOM 842 OE1 GLU A 56 16.782 -9.576 6.308 1.00 0.00 O ATOM 843 OE2 GLU A 56 14.745 -9.312 7.090 1.00 0.00 O ATOM 0 H GLU A 56 17.108 -8.862 1.557 1.00 0.00 H new ATOM 0 HA GLU A 56 14.780 -10.159 2.010 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.712 -10.070 3.551 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.336 -8.406 3.953 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.007 -9.348 4.683 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.807 -10.907 4.674 1.00 0.00 H new ATOM 850 N ASP A 57 14.363 -6.948 2.721 1.00 0.00 N ATOM 851 CA ASP A 57 13.355 -5.906 2.877 1.00 0.00 C ATOM 852 C ASP A 57 12.178 -6.143 1.936 1.00 0.00 C ATOM 853 O ASP A 57 11.037 -6.285 2.376 1.00 0.00 O ATOM 854 CB ASP A 57 13.968 -4.530 2.611 1.00 0.00 C ATOM 855 CG ASP A 57 12.956 -3.410 2.747 1.00 0.00 C ATOM 856 OD1 ASP A 57 11.750 -3.675 2.564 1.00 0.00 O ATOM 857 OD2 ASP A 57 13.371 -2.267 3.036 1.00 0.00 O ATOM 0 H ASP A 57 15.324 -6.624 2.830 1.00 0.00 H new ATOM 0 HA ASP A 57 12.989 -5.940 3.903 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.789 -4.360 3.307 1.00 0.00 H new ATOM 0 HB3 ASP A 57 14.393 -4.512 1.607 1.00 0.00 H new ATOM 862 N ARG A 58 12.464 -6.184 0.639 1.00 0.00 N ATOM 863 CA ARG A 58 11.429 -6.401 -0.365 1.00 0.00 C ATOM 864 C ARG A 58 10.709 -7.724 -0.126 1.00 0.00 C ATOM 865 O ARG A 58 9.484 -7.764 -0.005 1.00 0.00 O ATOM 866 CB ARG A 58 12.038 -6.386 -1.768 1.00 0.00 C ATOM 867 CG ARG A 58 11.009 -6.510 -2.880 1.00 0.00 C ATOM 868 CD ARG A 58 10.321 -5.182 -3.154 1.00 0.00 C ATOM 869 NE ARG A 58 11.196 -4.247 -3.856 1.00 0.00 N ATOM 870 CZ ARG A 58 10.750 -3.247 -4.608 1.00 0.00 C ATOM 871 NH1 ARG A 58 9.446 -3.053 -4.754 1.00 0.00 N ATOM 872 NH2 ARG A 58 11.608 -2.437 -5.215 1.00 0.00 N ATOM 0 H ARG A 58 13.404 -6.070 0.259 1.00 0.00 H new ATOM 0 HA ARG A 58 10.703 -5.592 -0.283 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.596 -5.460 -1.903 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.753 -7.204 -1.853 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.495 -6.863 -3.789 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.264 -7.257 -2.606 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.424 -5.354 -3.748 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.999 -4.739 -2.211 1.00 0.00 H new ATOM 0 HE ARG A 58 12.205 -4.368 -3.764 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.783 -3.672 -4.288 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.106 -2.284 -5.332 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.612 -2.582 -5.104 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.264 -1.670 -5.792 1.00 0.00 H new ATOM 886 N PHE A 59 11.477 -8.806 -0.058 1.00 0.00 N ATOM 887 CA PHE A 59 10.913 -10.132 0.165 1.00 0.00 C ATOM 888 C PHE A 59 9.862 -10.097 1.271 1.00 0.00 C ATOM 889 O PHE A 59 8.815 -10.737 1.168 1.00 0.00 O ATOM 890 CB PHE A 59 12.018 -11.126 0.528 1.00 0.00 C ATOM 891 CG PHE A 59 11.517 -12.343 1.252 1.00 0.00 C ATOM 892 CD1 PHE A 59 11.011 -13.424 0.548 1.00 0.00 C ATOM 893 CD2 PHE A 59 11.550 -12.406 2.635 1.00 0.00 C ATOM 894 CE1 PHE A 59 10.549 -14.546 1.211 1.00 0.00 C ATOM 895 CE2 PHE A 59 11.090 -13.525 3.303 1.00 0.00 C ATOM 896 CZ PHE A 59 10.587 -14.595 2.590 1.00 0.00 C ATOM 0 H PHE A 59 12.492 -8.791 -0.154 1.00 0.00 H new ATOM 0 HA PHE A 59 10.433 -10.455 -0.759 1.00 0.00 H new ATOM 0 HB2 PHE A 59 12.527 -11.439 -0.383 1.00 0.00 H new ATOM 0 HB3 PHE A 59 12.758 -10.623 1.150 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.977 -13.390 -0.531 1.00 0.00 H new ATOM 0 HD2 PHE A 59 11.940 -11.571 3.198 1.00 0.00 H new ATOM 0 HE1 PHE A 59 10.159 -15.383 0.651 1.00 0.00 H new ATOM 0 HE2 PHE A 59 11.124 -13.562 4.382 1.00 0.00 H new ATOM 0 HZ PHE A 59 10.224 -15.469 3.110 1.00 0.00 H new ATOM 906 N ILE A 60 10.149 -9.345 2.328 1.00 0.00 N ATOM 907 CA ILE A 60 9.230 -9.226 3.453 1.00 0.00 C ATOM 908 C ILE A 60 7.893 -8.640 3.010 1.00 0.00 C ATOM 909 O ILE A 60 6.833 -9.165 3.348 1.00 0.00 O ATOM 910 CB ILE A 60 9.819 -8.345 4.570 1.00 0.00 C ATOM 911 CG1 ILE A 60 11.130 -8.943 5.084 1.00 0.00 C ATOM 912 CG2 ILE A 60 8.819 -8.192 5.707 1.00 0.00 C ATOM 913 CD1 ILE A 60 11.940 -7.987 5.930 1.00 0.00 C ATOM 0 H ILE A 60 11.011 -8.809 2.429 1.00 0.00 H new ATOM 0 HA ILE A 60 9.073 -10.233 3.841 1.00 0.00 H new ATOM 0 HB ILE A 60 10.028 -7.357 4.160 1.00 0.00 H new ATOM 0 HG12 ILE A 60 10.908 -9.835 5.670 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.732 -9.262 4.233 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.250 -7.567 6.489 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.908 -7.726 5.330 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.581 -9.174 6.117 1.00 0.00 H new ATOM 0 HD11 ILE A 60 12.855 -8.479 6.259 1.00 0.00 H new ATOM 0 HD12 ILE A 60 12.193 -7.105 5.341 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.356 -7.687 6.800 1.00 0.00 H new ATOM 925 N GLN A 61 7.953 -7.550 2.251 1.00 0.00 N ATOM 926 CA GLN A 61 6.747 -6.894 1.761 1.00 0.00 C ATOM 927 C GLN A 61 5.883 -7.867 0.965 1.00 0.00 C ATOM 928 O GLN A 61 4.667 -7.928 1.152 1.00 0.00 O ATOM 929 CB GLN A 61 7.113 -5.690 0.892 1.00 0.00 C ATOM 930 CG GLN A 61 7.736 -4.543 1.672 1.00 0.00 C ATOM 931 CD GLN A 61 6.869 -4.085 2.828 1.00 0.00 C ATOM 932 OE1 GLN A 61 6.843 -4.714 3.887 1.00 0.00 O ATOM 933 NE2 GLN A 61 6.152 -2.985 2.632 1.00 0.00 N ATOM 0 H GLN A 61 8.823 -7.103 1.963 1.00 0.00 H new ATOM 0 HA GLN A 61 6.175 -6.550 2.623 1.00 0.00 H new ATOM 0 HB2 GLN A 61 7.808 -6.011 0.116 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.216 -5.330 0.388 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.709 -4.854 2.053 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.911 -3.704 0.999 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.204 -2.495 1.739 1.00 0.00 H new ATOM 0 HE22 GLN A 61 5.550 -2.630 3.375 1.00 0.00 H new ATOM 942 N ILE A 62 6.518 -8.624 0.078 1.00 0.00 N ATOM 943 CA ILE A 62 5.807 -9.594 -0.746 1.00 0.00 C ATOM 944 C ILE A 62 4.892 -10.471 0.103 1.00 0.00 C ATOM 945 O ILE A 62 3.756 -10.751 -0.277 1.00 0.00 O ATOM 946 CB ILE A 62 6.784 -10.495 -1.525 1.00 0.00 C ATOM 947 CG1 ILE A 62 7.686 -9.647 -2.424 1.00 0.00 C ATOM 948 CG2 ILE A 62 6.018 -11.519 -2.348 1.00 0.00 C ATOM 949 CD1 ILE A 62 8.996 -10.320 -2.772 1.00 0.00 C ATOM 0 H ILE A 62 7.523 -8.585 -0.089 1.00 0.00 H new ATOM 0 HA ILE A 62 5.206 -9.025 -1.455 1.00 0.00 H new ATOM 0 HB ILE A 62 7.412 -11.028 -0.811 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.151 -9.413 -3.344 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.894 -8.700 -1.926 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.722 -12.148 -2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.414 -12.139 -1.686 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.368 -11.004 -3.056 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.585 -9.662 -3.411 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.551 -10.530 -1.858 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.797 -11.254 -3.298 1.00 0.00 H new ATOM 961 N SER A 63 5.396 -10.900 1.256 1.00 0.00 N ATOM 962 CA SER A 63 4.625 -11.746 2.159 1.00 0.00 C ATOM 963 C SER A 63 3.490 -10.958 2.807 1.00 0.00 C ATOM 964 O SER A 63 2.369 -11.450 2.931 1.00 0.00 O ATOM 965 CB SER A 63 5.533 -12.335 3.240 1.00 0.00 C ATOM 966 OG SER A 63 4.899 -13.412 3.908 1.00 0.00 O ATOM 0 H SER A 63 6.335 -10.676 1.586 1.00 0.00 H new ATOM 0 HA SER A 63 4.193 -12.558 1.575 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.464 -12.680 2.789 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.796 -11.560 3.960 1.00 0.00 H new ATOM 0 HG SER A 63 5.501 -13.772 4.593 1.00 0.00 H new ATOM 972 N LYS A 64 3.791 -9.731 3.218 1.00 0.00 N ATOM 973 CA LYS A 64 2.798 -8.871 3.852 1.00 0.00 C ATOM 974 C LYS A 64 1.630 -8.601 2.908 1.00 0.00 C ATOM 975 O LYS A 64 0.468 -8.724 3.293 1.00 0.00 O ATOM 976 CB LYS A 64 3.437 -7.549 4.281 1.00 0.00 C ATOM 977 CG LYS A 64 4.631 -7.722 5.205 1.00 0.00 C ATOM 978 CD LYS A 64 4.208 -8.237 6.571 1.00 0.00 C ATOM 979 CE LYS A 64 4.232 -9.756 6.625 1.00 0.00 C ATOM 980 NZ LYS A 64 3.213 -10.293 7.569 1.00 0.00 N ATOM 0 H LYS A 64 4.715 -9.309 3.123 1.00 0.00 H new ATOM 0 HA LYS A 64 2.418 -9.386 4.734 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.752 -7.002 3.392 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.686 -6.938 4.782 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.341 -8.417 4.757 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.146 -6.768 5.318 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.873 -7.834 7.335 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.204 -7.879 6.801 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.051 -10.158 5.628 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.223 -10.093 6.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.261 -11.332 7.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.400 -9.930 8.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.265 -9.993 7.264 1.00 0.00 H new ATOM 994 N ALA A 65 1.948 -8.233 1.671 1.00 0.00 N ATOM 995 CA ALA A 65 0.926 -7.949 0.672 1.00 0.00 C ATOM 996 C ALA A 65 -0.034 -9.124 0.519 1.00 0.00 C ATOM 997 O ALA A 65 -1.253 -8.952 0.557 1.00 0.00 O ATOM 998 CB ALA A 65 1.572 -7.616 -0.665 1.00 0.00 C ATOM 0 H ALA A 65 2.906 -8.125 1.337 1.00 0.00 H new ATOM 0 HA ALA A 65 0.352 -7.086 1.011 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.796 -7.406 -1.402 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.212 -6.741 -0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.171 -8.462 -1.000 1.00 0.00 H new ATOM 1004 N TYR A 66 0.523 -10.318 0.346 1.00 0.00 N ATOM 1005 CA TYR A 66 -0.284 -11.521 0.184 1.00 0.00 C ATOM 1006 C TYR A 66 -1.048 -11.841 1.465 1.00 0.00 C ATOM 1007 O TYR A 66 -2.252 -12.093 1.435 1.00 0.00 O ATOM 1008 CB TYR A 66 0.602 -12.706 -0.204 1.00 0.00 C ATOM 1009 CG TYR A 66 -0.174 -13.968 -0.510 1.00 0.00 C ATOM 1010 CD1 TYR A 66 -1.238 -13.953 -1.403 1.00 0.00 C ATOM 1011 CD2 TYR A 66 0.157 -15.174 0.095 1.00 0.00 C ATOM 1012 CE1 TYR A 66 -1.950 -15.103 -1.685 1.00 0.00 C ATOM 1013 CE2 TYR A 66 -0.548 -16.329 -0.181 1.00 0.00 C ATOM 1014 CZ TYR A 66 -1.601 -16.289 -1.072 1.00 0.00 C ATOM 1015 OH TYR A 66 -2.307 -17.437 -1.349 1.00 0.00 O ATOM 0 H TYR A 66 1.530 -10.478 0.314 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.006 -11.339 -0.612 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.196 -12.434 -1.077 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.301 -12.907 0.608 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.513 -13.027 -1.885 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.980 -15.209 0.793 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.775 -15.074 -2.381 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.277 -17.258 0.298 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.933 -18.183 -0.836 1.00 0.00 H new ATOM 1025 N GLU A 67 -0.338 -11.829 2.589 1.00 0.00 N ATOM 1026 CA GLU A 67 -0.949 -12.118 3.881 1.00 0.00 C ATOM 1027 C GLU A 67 -2.339 -11.496 3.977 1.00 0.00 C ATOM 1028 O GLU A 67 -3.277 -12.121 4.472 1.00 0.00 O ATOM 1029 CB GLU A 67 -0.065 -11.596 5.016 1.00 0.00 C ATOM 1030 CG GLU A 67 1.101 -12.511 5.349 1.00 0.00 C ATOM 1031 CD GLU A 67 0.703 -13.655 6.261 1.00 0.00 C ATOM 1032 OE1 GLU A 67 0.336 -13.387 7.424 1.00 0.00 O ATOM 1033 OE2 GLU A 67 0.759 -14.818 5.811 1.00 0.00 O ATOM 0 H GLU A 67 0.660 -11.622 2.631 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.047 -13.200 3.974 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.321 -10.614 4.742 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.676 -11.461 5.908 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.516 -12.915 4.426 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.890 -11.929 5.825 1.00 0.00 H new ATOM 1040 N ILE A 68 -2.463 -10.261 3.500 1.00 0.00 N ATOM 1041 CA ILE A 68 -3.737 -9.555 3.531 1.00 0.00 C ATOM 1042 C ILE A 68 -4.779 -10.263 2.672 1.00 0.00 C ATOM 1043 O ILE A 68 -5.839 -10.658 3.161 1.00 0.00 O ATOM 1044 CB ILE A 68 -3.588 -8.102 3.044 1.00 0.00 C ATOM 1045 CG1 ILE A 68 -2.689 -7.311 3.997 1.00 0.00 C ATOM 1046 CG2 ILE A 68 -4.953 -7.440 2.923 1.00 0.00 C ATOM 1047 CD1 ILE A 68 -1.972 -6.157 3.333 1.00 0.00 C ATOM 0 H ILE A 68 -1.696 -9.730 3.088 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.069 -9.549 4.569 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.122 -8.111 2.059 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.293 -6.928 4.819 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.951 -7.985 4.431 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.830 -6.413 2.578 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.563 -7.993 2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.445 -7.439 3.896 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.353 -5.642 4.068 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.341 -6.535 2.529 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.704 -5.461 2.923 1.00 0.00 H new ATOM 1059 N LEU A 69 -4.472 -10.422 1.390 1.00 0.00 N ATOM 1060 CA LEU A 69 -5.381 -11.085 0.461 1.00 0.00 C ATOM 1061 C LEU A 69 -5.533 -12.562 0.809 1.00 0.00 C ATOM 1062 O LEU A 69 -6.630 -13.026 1.121 1.00 0.00 O ATOM 1063 CB LEU A 69 -4.872 -10.937 -0.974 1.00 0.00 C ATOM 1064 CG LEU A 69 -4.642 -9.506 -1.461 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -3.617 -9.482 -2.584 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -5.952 -8.882 -1.920 1.00 0.00 C ATOM 0 H LEU A 69 -3.600 -10.101 0.969 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.358 -10.609 0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.934 -11.485 -1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.587 -11.417 -1.643 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.253 -8.918 -0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.467 -8.455 -2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.672 -9.888 -2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.976 -10.085 -3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.769 -7.864 -2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.369 -9.471 -2.737 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.657 -8.864 -1.089 1.00 0.00 H new ATOM 1078 N SER A 70 -4.426 -13.295 0.755 1.00 0.00 N ATOM 1079 CA SER A 70 -4.437 -14.720 1.064 1.00 0.00 C ATOM 1080 C SER A 70 -5.447 -15.030 2.164 1.00 0.00 C ATOM 1081 O SER A 70 -6.303 -15.900 2.008 1.00 0.00 O ATOM 1082 CB SER A 70 -3.042 -15.181 1.491 1.00 0.00 C ATOM 1083 OG SER A 70 -2.940 -16.594 1.457 1.00 0.00 O ATOM 0 H SER A 70 -3.510 -12.926 0.500 1.00 0.00 H new ATOM 0 HA SER A 70 -4.731 -15.260 0.164 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.293 -14.743 0.831 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.829 -14.822 2.498 1.00 0.00 H new ATOM 0 HG SER A 70 -2.442 -16.867 0.658 1.00 0.00 H new ATOM 1089 N ASN A 71 -5.340 -14.311 3.277 1.00 0.00 N ATOM 1090 CA ASN A 71 -6.243 -14.509 4.404 1.00 0.00 C ATOM 1091 C ASN A 71 -7.595 -13.853 4.140 1.00 0.00 C ATOM 1092 O ASN A 71 -7.667 -12.675 3.795 1.00 0.00 O ATOM 1093 CB ASN A 71 -5.628 -13.937 5.684 1.00 0.00 C ATOM 1094 CG ASN A 71 -4.774 -14.953 6.418 1.00 0.00 C ATOM 1095 OD1 ASN A 71 -4.719 -16.123 6.040 1.00 0.00 O ATOM 1096 ND2 ASN A 71 -4.103 -14.507 7.474 1.00 0.00 N ATOM 0 H ASN A 71 -4.637 -13.586 3.422 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.397 -15.581 4.530 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.020 -13.067 5.435 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.424 -13.591 6.343 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.512 -15.143 8.008 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.179 -13.528 7.750 1.00 0.00 H new ATOM 1103 N GLU A 72 -8.664 -14.627 4.305 1.00 0.00 N ATOM 1104 CA GLU A 72 -10.014 -14.120 4.084 1.00 0.00 C ATOM 1105 C GLU A 72 -10.308 -12.937 5.001 1.00 0.00 C ATOM 1106 O GLU A 72 -10.663 -11.854 4.537 1.00 0.00 O ATOM 1107 CB GLU A 72 -11.043 -15.229 4.318 1.00 0.00 C ATOM 1108 CG GLU A 72 -10.850 -16.438 3.418 1.00 0.00 C ATOM 1109 CD GLU A 72 -12.020 -17.400 3.476 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -13.173 -16.928 3.567 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -11.784 -18.626 3.431 1.00 0.00 O ATOM 0 H GLU A 72 -8.622 -15.605 4.590 1.00 0.00 H new ATOM 0 HA GLU A 72 -10.083 -13.782 3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.990 -15.549 5.359 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -12.043 -14.825 4.160 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.711 -16.103 2.390 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -9.939 -16.961 3.709 1.00 0.00 H new ATOM 1118 N GLU A 73 -10.157 -13.153 6.304 1.00 0.00 N ATOM 1119 CA GLU A 73 -10.408 -12.104 7.286 1.00 0.00 C ATOM 1120 C GLU A 73 -9.848 -10.767 6.809 1.00 0.00 C ATOM 1121 O GLU A 73 -10.585 -9.795 6.644 1.00 0.00 O ATOM 1122 CB GLU A 73 -9.789 -12.478 8.634 1.00 0.00 C ATOM 1123 CG GLU A 73 -10.206 -11.560 9.771 1.00 0.00 C ATOM 1124 CD GLU A 73 -11.699 -11.595 10.030 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -12.246 -12.704 10.208 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -12.322 -10.512 10.056 1.00 0.00 O ATOM 0 H GLU A 73 -9.862 -14.044 6.704 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.487 -12.004 7.406 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.071 -13.501 8.882 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.703 -12.460 8.543 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.677 -11.849 10.679 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.905 -10.539 9.538 1.00 0.00 H new ATOM 1133 N LYS A 74 -8.538 -10.726 6.590 1.00 0.00 N ATOM 1134 CA LYS A 74 -7.876 -9.511 6.131 1.00 0.00 C ATOM 1135 C LYS A 74 -8.460 -9.041 4.803 1.00 0.00 C ATOM 1136 O LYS A 74 -8.957 -7.920 4.694 1.00 0.00 O ATOM 1137 CB LYS A 74 -6.372 -9.749 5.984 1.00 0.00 C ATOM 1138 CG LYS A 74 -5.635 -9.823 7.309 1.00 0.00 C ATOM 1139 CD LYS A 74 -5.759 -11.200 7.940 1.00 0.00 C ATOM 1140 CE LYS A 74 -4.672 -11.438 8.978 1.00 0.00 C ATOM 1141 NZ LYS A 74 -3.316 -11.460 8.365 1.00 0.00 N ATOM 0 H LYS A 74 -7.913 -11.521 6.723 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.043 -8.733 6.876 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.212 -10.678 5.436 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.943 -8.947 5.384 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.582 -9.586 7.155 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.034 -9.072 7.991 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.738 -11.300 8.408 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.697 -11.964 7.165 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.716 -10.655 9.736 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.856 -12.384 9.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.710 -12.126 8.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.389 -11.762 7.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.900 -10.508 8.407 1.00 0.00 H new ATOM 1155 N ARG A 75 -8.398 -9.906 3.796 1.00 0.00 N ATOM 1156 CA ARG A 75 -8.921 -9.579 2.474 1.00 0.00 C ATOM 1157 C ARG A 75 -10.246 -8.830 2.584 1.00 0.00 C ATOM 1158 O ARG A 75 -10.375 -7.701 2.112 1.00 0.00 O ATOM 1159 CB ARG A 75 -9.109 -10.852 1.648 1.00 0.00 C ATOM 1160 CG ARG A 75 -9.221 -10.597 0.153 1.00 0.00 C ATOM 1161 CD ARG A 75 -9.609 -11.860 -0.600 1.00 0.00 C ATOM 1162 NE ARG A 75 -9.541 -11.676 -2.047 1.00 0.00 N ATOM 1163 CZ ARG A 75 -10.466 -11.034 -2.751 1.00 0.00 C ATOM 1164 NH1 ARG A 75 -11.524 -10.515 -2.144 1.00 0.00 N ATOM 1165 NH2 ARG A 75 -10.333 -10.908 -4.065 1.00 0.00 N ATOM 0 H ARG A 75 -7.991 -10.838 3.870 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.199 -8.933 1.974 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -8.269 -11.522 1.832 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.007 -11.367 1.989 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.964 -9.820 -0.030 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.269 -10.224 -0.226 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.947 -12.675 -0.307 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.620 -12.154 -0.319 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.739 -12.062 -2.545 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.629 -10.608 -1.134 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.233 -10.022 -2.687 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.520 -11.305 -4.536 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -11.044 -10.415 -4.605 1.00 0.00 H new ATOM 1179 N THR A 76 -11.230 -9.468 3.211 1.00 0.00 N ATOM 1180 CA THR A 76 -12.545 -8.865 3.382 1.00 0.00 C ATOM 1181 C THR A 76 -12.446 -7.523 4.098 1.00 0.00 C ATOM 1182 O THR A 76 -12.927 -6.506 3.601 1.00 0.00 O ATOM 1183 CB THR A 76 -13.489 -9.789 4.175 1.00 0.00 C ATOM 1184 OG1 THR A 76 -13.607 -11.053 3.513 1.00 0.00 O ATOM 1185 CG2 THR A 76 -14.865 -9.158 4.324 1.00 0.00 C ATOM 0 H THR A 76 -11.140 -10.403 3.609 1.00 0.00 H new ATOM 0 HA THR A 76 -12.954 -8.712 2.383 1.00 0.00 H new ATOM 0 HB THR A 76 -13.066 -9.938 5.168 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.788 -11.573 3.653 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.514 -9.829 4.887 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.775 -8.210 4.854 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.294 -8.982 3.337 1.00 0.00 H new