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 66 TYR OH : rot 180:sc= -0.0745 USER MOD Set 1.2: A 70 SER OG : rot 104:sc= 1.05 USER MOD Set 2.1: A 38 TYR OH : rot -57:sc= 0.11 USER MOD Set 2.2: A 63 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 35 LYS NZ :NH3+ 172:sc= -0.56 (180deg=-0.897) USER MOD Set 3.2: A 39 LYS NZ :NH3+ -126:sc= -0.453 (180deg=-0.0201) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -2.85 K(o=-2.9,f=-6.5!) USER MOD Single : A 36 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= -1.51 K(o=-1.5,f=-4.9!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -2.68! C(o=-2.7!,f=-8.3!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 74 LYS NZ :NH3+ 154:sc= -0.182 (180deg=-0.673) USER MOD Single : A 76 THR OG1 : rot 80:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 191 N ASP A 16 -0.411 2.753 3.995 1.00 0.00 N ATOM 192 CA ASP A 16 1.033 2.733 3.792 1.00 0.00 C ATOM 193 C ASP A 16 1.382 2.147 2.428 1.00 0.00 C ATOM 194 O ASP A 16 1.968 2.823 1.582 1.00 0.00 O ATOM 195 CB ASP A 16 1.714 1.925 4.898 1.00 0.00 C ATOM 196 CG ASP A 16 3.153 2.345 5.119 1.00 0.00 C ATOM 197 OD1 ASP A 16 4.000 2.043 4.252 1.00 0.00 O ATOM 198 OD2 ASP A 16 3.434 2.976 6.160 1.00 0.00 O ATOM 0 HA ASP A 16 1.394 3.761 3.829 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.157 2.045 5.827 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.683 0.866 4.642 1.00 0.00 H new ATOM 203 N PHE A 17 1.019 0.886 2.221 1.00 0.00 N ATOM 204 CA PHE A 17 1.296 0.208 0.960 1.00 0.00 C ATOM 205 C PHE A 17 0.132 -0.695 0.561 1.00 0.00 C ATOM 206 O PHE A 17 -0.516 -1.304 1.412 1.00 0.00 O ATOM 207 CB PHE A 17 2.580 -0.616 1.070 1.00 0.00 C ATOM 208 CG PHE A 17 2.450 -1.812 1.970 1.00 0.00 C ATOM 209 CD1 PHE A 17 1.638 -2.877 1.615 1.00 0.00 C ATOM 210 CD2 PHE A 17 3.139 -1.870 3.171 1.00 0.00 C ATOM 211 CE1 PHE A 17 1.516 -3.978 2.442 1.00 0.00 C ATOM 212 CE2 PHE A 17 3.020 -2.969 4.002 1.00 0.00 C ATOM 213 CZ PHE A 17 2.209 -4.025 3.636 1.00 0.00 C ATOM 0 H PHE A 17 0.532 0.313 2.910 1.00 0.00 H new ATOM 0 HA PHE A 17 1.425 0.968 0.189 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.874 -0.950 0.075 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.381 0.023 1.441 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.095 -2.847 0.682 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.776 -1.048 3.461 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.879 -4.801 2.155 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.561 -3.001 4.936 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.117 -4.886 4.282 1.00 0.00 H new ATOM 223 N ASP A 18 -0.128 -0.775 -0.740 1.00 0.00 N ATOM 224 CA ASP A 18 -1.213 -1.603 -1.253 1.00 0.00 C ATOM 225 C ASP A 18 -0.708 -2.995 -1.619 1.00 0.00 C ATOM 226 O ASP A 18 0.397 -3.166 -2.134 1.00 0.00 O ATOM 227 CB ASP A 18 -1.853 -0.942 -2.475 1.00 0.00 C ATOM 228 CG ASP A 18 -2.937 0.049 -2.096 1.00 0.00 C ATOM 229 OD1 ASP A 18 -4.027 -0.395 -1.679 1.00 0.00 O ATOM 230 OD2 ASP A 18 -2.694 1.267 -2.215 1.00 0.00 O ATOM 0 H ASP A 18 0.398 -0.277 -1.458 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.963 -1.703 -0.468 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.083 -0.431 -3.053 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.277 -1.711 -3.120 1.00 0.00 H new ATOM 235 N PRO A 19 -1.535 -4.015 -1.345 1.00 0.00 N ATOM 236 CA PRO A 19 -1.193 -5.411 -1.637 1.00 0.00 C ATOM 237 C PRO A 19 -1.170 -5.702 -3.133 1.00 0.00 C ATOM 238 O PRO A 19 -0.275 -6.386 -3.629 1.00 0.00 O ATOM 239 CB PRO A 19 -2.314 -6.200 -0.955 1.00 0.00 C ATOM 240 CG PRO A 19 -3.464 -5.255 -0.901 1.00 0.00 C ATOM 241 CD PRO A 19 -2.867 -3.885 -0.731 1.00 0.00 C ATOM 0 HA PRO A 19 -0.195 -5.669 -1.283 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.566 -7.098 -1.519 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.020 -6.523 0.044 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.058 -5.311 -1.813 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.129 -5.497 -0.072 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.466 -3.121 -1.228 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.799 -3.604 0.320 1.00 0.00 H new ATOM 249 N TYR A 20 -2.160 -5.179 -3.848 1.00 0.00 N ATOM 250 CA TYR A 20 -2.255 -5.384 -5.288 1.00 0.00 C ATOM 251 C TYR A 20 -1.055 -4.773 -6.006 1.00 0.00 C ATOM 252 O TYR A 20 -0.520 -5.354 -6.950 1.00 0.00 O ATOM 253 CB TYR A 20 -3.550 -4.775 -5.828 1.00 0.00 C ATOM 254 CG TYR A 20 -4.714 -5.740 -5.840 1.00 0.00 C ATOM 255 CD1 TYR A 20 -5.158 -6.338 -4.667 1.00 0.00 C ATOM 256 CD2 TYR A 20 -5.370 -6.053 -7.024 1.00 0.00 C ATOM 257 CE1 TYR A 20 -6.220 -7.221 -4.673 1.00 0.00 C ATOM 258 CE2 TYR A 20 -6.434 -6.934 -7.039 1.00 0.00 C ATOM 259 CZ TYR A 20 -6.856 -7.515 -5.862 1.00 0.00 C ATOM 260 OH TYR A 20 -7.915 -8.393 -5.873 1.00 0.00 O ATOM 0 H TYR A 20 -2.908 -4.610 -3.453 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.261 -6.458 -5.476 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.814 -3.908 -5.222 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.377 -4.415 -6.842 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.664 -6.108 -3.734 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.043 -5.600 -7.948 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.551 -7.679 -3.752 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -6.933 -7.167 -7.968 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.250 -8.490 -6.789 1.00 0.00 H new ATOM 270 N ARG A 21 -0.636 -3.597 -5.549 1.00 0.00 N ATOM 271 CA ARG A 21 0.500 -2.906 -6.146 1.00 0.00 C ATOM 272 C ARG A 21 1.803 -3.639 -5.842 1.00 0.00 C ATOM 273 O ARG A 21 2.630 -3.851 -6.729 1.00 0.00 O ATOM 274 CB ARG A 21 0.578 -1.468 -5.630 1.00 0.00 C ATOM 275 CG ARG A 21 -0.727 -0.701 -5.763 1.00 0.00 C ATOM 276 CD ARG A 21 -0.514 0.795 -5.593 1.00 0.00 C ATOM 277 NE ARG A 21 0.397 1.336 -6.598 1.00 0.00 N ATOM 278 CZ ARG A 21 1.714 1.402 -6.436 1.00 0.00 C ATOM 279 NH1 ARG A 21 2.271 0.962 -5.316 1.00 0.00 N ATOM 280 NH2 ARG A 21 2.477 1.908 -7.397 1.00 0.00 N ATOM 0 H ARG A 21 -1.067 -3.103 -4.767 1.00 0.00 H new ATOM 0 HA ARG A 21 0.357 -2.889 -7.226 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.875 -1.483 -4.581 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.359 -0.937 -6.175 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.168 -0.898 -6.740 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.437 -1.056 -5.016 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.474 1.308 -5.660 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.115 0.994 -4.598 1.00 0.00 H new ATOM 0 HE ARG A 21 0.001 1.682 -7.472 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.688 0.571 -4.576 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.282 1.014 -5.195 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.052 2.246 -8.260 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.488 1.958 -7.272 1.00 0.00 H new ATOM 294 N VAL A 22 1.980 -4.023 -4.582 1.00 0.00 N ATOM 295 CA VAL A 22 3.182 -4.733 -4.160 1.00 0.00 C ATOM 296 C VAL A 22 3.324 -6.060 -4.897 1.00 0.00 C ATOM 297 O VAL A 22 4.333 -6.311 -5.558 1.00 0.00 O ATOM 298 CB VAL A 22 3.173 -5.000 -2.643 1.00 0.00 C ATOM 299 CG1 VAL A 22 4.381 -5.832 -2.240 1.00 0.00 C ATOM 300 CG2 VAL A 22 3.138 -3.688 -1.872 1.00 0.00 C ATOM 0 H VAL A 22 1.306 -3.854 -3.835 1.00 0.00 H new ATOM 0 HA VAL A 22 4.030 -4.092 -4.404 1.00 0.00 H new ATOM 0 HB VAL A 22 2.274 -5.565 -2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.358 -6.010 -1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.358 -6.786 -2.767 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.294 -5.297 -2.499 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.132 -3.895 -0.802 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.018 -3.095 -2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.239 -3.133 -2.139 1.00 0.00 H new ATOM 310 N LEU A 23 2.307 -6.906 -4.781 1.00 0.00 N ATOM 311 CA LEU A 23 2.317 -8.209 -5.437 1.00 0.00 C ATOM 312 C LEU A 23 2.376 -8.055 -6.954 1.00 0.00 C ATOM 313 O LEU A 23 3.057 -8.816 -7.640 1.00 0.00 O ATOM 314 CB LEU A 23 1.076 -9.011 -5.043 1.00 0.00 C ATOM 315 CG LEU A 23 1.017 -9.486 -3.590 1.00 0.00 C ATOM 316 CD1 LEU A 23 -0.291 -10.212 -3.318 1.00 0.00 C ATOM 317 CD2 LEU A 23 2.204 -10.385 -3.275 1.00 0.00 C ATOM 0 H LEU A 23 1.465 -6.713 -4.239 1.00 0.00 H new ATOM 0 HA LEU A 23 3.208 -8.745 -5.109 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.195 -8.400 -5.241 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.011 -9.884 -5.693 1.00 0.00 H new ATOM 0 HG LEU A 23 1.065 -8.612 -2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.315 -10.542 -2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.127 -9.537 -3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.370 -11.077 -3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.146 -10.714 -2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.187 -11.254 -3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.130 -9.832 -3.429 1.00 0.00 H new ATOM 329 N GLY A 24 1.658 -7.062 -7.470 1.00 0.00 N ATOM 330 CA GLY A 24 1.643 -6.824 -8.902 1.00 0.00 C ATOM 331 C GLY A 24 0.470 -7.493 -9.589 1.00 0.00 C ATOM 332 O GLY A 24 0.627 -8.104 -10.647 1.00 0.00 O ATOM 0 H GLY A 24 1.087 -6.418 -6.922 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.605 -5.751 -9.088 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.572 -7.191 -9.338 1.00 0.00 H new ATOM 336 N VAL A 25 -0.710 -7.380 -8.987 1.00 0.00 N ATOM 337 CA VAL A 25 -1.915 -7.980 -9.548 1.00 0.00 C ATOM 338 C VAL A 25 -3.035 -6.953 -9.667 1.00 0.00 C ATOM 339 O VAL A 25 -3.016 -5.918 -9.001 1.00 0.00 O ATOM 340 CB VAL A 25 -2.405 -9.162 -8.690 1.00 0.00 C ATOM 341 CG1 VAL A 25 -1.546 -10.393 -8.936 1.00 0.00 C ATOM 342 CG2 VAL A 25 -2.403 -8.786 -7.216 1.00 0.00 C ATOM 0 H VAL A 25 -0.857 -6.879 -8.111 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.654 -8.346 -10.541 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.429 -9.399 -8.980 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.907 -11.217 -8.321 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.603 -10.672 -9.988 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.511 -10.172 -8.675 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.752 -9.632 -6.624 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.391 -8.521 -6.909 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.065 -7.935 -7.057 1.00 0.00 H new ATOM 352 N SER A 26 -4.012 -7.247 -10.519 1.00 0.00 N ATOM 353 CA SER A 26 -5.141 -6.348 -10.728 1.00 0.00 C ATOM 354 C SER A 26 -6.443 -6.995 -10.267 1.00 0.00 C ATOM 355 O SER A 26 -6.466 -8.164 -9.881 1.00 0.00 O ATOM 356 CB SER A 26 -5.245 -5.961 -12.205 1.00 0.00 C ATOM 357 OG SER A 26 -4.463 -4.814 -12.488 1.00 0.00 O ATOM 0 H SER A 26 -4.044 -8.101 -11.076 1.00 0.00 H new ATOM 0 HA SER A 26 -4.973 -5.449 -10.135 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.914 -6.793 -12.826 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.287 -5.767 -12.461 1.00 0.00 H new ATOM 0 HG SER A 26 -4.545 -4.588 -13.438 1.00 0.00 H new ATOM 363 N ARG A 27 -7.526 -6.226 -10.311 1.00 0.00 N ATOM 364 CA ARG A 27 -8.833 -6.722 -9.897 1.00 0.00 C ATOM 365 C ARG A 27 -9.086 -8.119 -10.456 1.00 0.00 C ATOM 366 O ARG A 27 -9.421 -9.045 -9.716 1.00 0.00 O ATOM 367 CB ARG A 27 -9.935 -5.768 -10.361 1.00 0.00 C ATOM 368 CG ARG A 27 -9.897 -5.472 -11.851 1.00 0.00 C ATOM 369 CD ARG A 27 -10.715 -4.238 -12.195 1.00 0.00 C ATOM 370 NE ARG A 27 -10.840 -4.048 -13.638 1.00 0.00 N ATOM 371 CZ ARG A 27 -11.510 -3.044 -14.192 1.00 0.00 C ATOM 372 NH1 ARG A 27 -12.113 -2.143 -13.428 1.00 0.00 N ATOM 373 NH2 ARG A 27 -11.578 -2.938 -15.513 1.00 0.00 N ATOM 0 H ARG A 27 -7.524 -5.257 -10.629 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.845 -6.777 -8.808 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.905 -6.197 -10.109 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -9.848 -4.831 -9.811 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.864 -5.325 -12.168 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -10.281 -6.330 -12.403 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -11.708 -4.327 -11.754 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -10.247 -3.358 -11.753 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.388 -4.724 -14.254 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -12.063 -2.220 -12.412 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.627 -1.373 -13.856 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.115 -3.628 -16.105 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.093 -2.166 -15.937 1.00 0.00 H new ATOM 387 N THR A 28 -8.924 -8.265 -11.768 1.00 0.00 N ATOM 388 CA THR A 28 -9.136 -9.547 -12.427 1.00 0.00 C ATOM 389 C THR A 28 -8.469 -10.679 -11.654 1.00 0.00 C ATOM 390 O THR A 28 -8.979 -11.799 -11.611 1.00 0.00 O ATOM 391 CB THR A 28 -8.594 -9.535 -13.868 1.00 0.00 C ATOM 392 OG1 THR A 28 -7.233 -9.090 -13.875 1.00 0.00 O ATOM 393 CG2 THR A 28 -9.433 -8.628 -14.755 1.00 0.00 C ATOM 0 H THR A 28 -8.646 -7.510 -12.395 1.00 0.00 H new ATOM 0 HA THR A 28 -10.213 -9.714 -12.454 1.00 0.00 H new ATOM 0 HB THR A 28 -8.647 -10.550 -14.261 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.895 -9.087 -14.795 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.030 -8.636 -15.768 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.463 -8.986 -14.771 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.408 -7.611 -14.363 1.00 0.00 H new ATOM 401 N ALA A 29 -7.327 -10.381 -11.045 1.00 0.00 N ATOM 402 CA ALA A 29 -6.591 -11.373 -10.271 1.00 0.00 C ATOM 403 C ALA A 29 -7.377 -11.799 -9.035 1.00 0.00 C ATOM 404 O ALA A 29 -7.765 -10.965 -8.217 1.00 0.00 O ATOM 405 CB ALA A 29 -5.229 -10.827 -9.870 1.00 0.00 C ATOM 0 H ALA A 29 -6.891 -9.459 -11.072 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.447 -12.252 -10.899 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.691 -11.579 -9.293 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.658 -10.580 -10.765 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.360 -9.930 -9.264 1.00 0.00 H new ATOM 411 N SER A 30 -7.609 -13.101 -8.906 1.00 0.00 N ATOM 412 CA SER A 30 -8.353 -13.636 -7.772 1.00 0.00 C ATOM 413 C SER A 30 -7.420 -14.349 -6.798 1.00 0.00 C ATOM 414 O SER A 30 -6.230 -14.510 -7.068 1.00 0.00 O ATOM 415 CB SER A 30 -9.437 -14.601 -8.256 1.00 0.00 C ATOM 416 OG SER A 30 -8.890 -15.604 -9.094 1.00 0.00 O ATOM 0 H SER A 30 -7.292 -13.805 -9.573 1.00 0.00 H new ATOM 0 HA SER A 30 -8.824 -12.802 -7.252 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.924 -15.065 -7.399 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.204 -14.048 -8.798 1.00 0.00 H new ATOM 0 HG SER A 30 -9.603 -16.209 -9.388 1.00 0.00 H new ATOM 422 N GLN A 31 -7.970 -14.774 -5.665 1.00 0.00 N ATOM 423 CA GLN A 31 -7.187 -15.469 -4.650 1.00 0.00 C ATOM 424 C GLN A 31 -6.176 -16.411 -5.294 1.00 0.00 C ATOM 425 O GLN A 31 -5.022 -16.482 -4.871 1.00 0.00 O ATOM 426 CB GLN A 31 -8.108 -16.253 -3.714 1.00 0.00 C ATOM 427 CG GLN A 31 -7.490 -16.545 -2.356 1.00 0.00 C ATOM 428 CD GLN A 31 -7.253 -15.289 -1.541 1.00 0.00 C ATOM 429 OE1 GLN A 31 -8.074 -14.914 -0.704 1.00 0.00 O ATOM 430 NE2 GLN A 31 -6.125 -14.631 -1.781 1.00 0.00 N ATOM 0 H GLN A 31 -8.954 -14.649 -5.427 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.643 -14.722 -4.072 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.031 -15.691 -3.571 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.380 -17.195 -4.190 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.144 -17.216 -1.800 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.543 -17.067 -2.496 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.472 -14.977 -2.484 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.911 -13.779 -1.262 1.00 0.00 H new ATOM 439 N ALA A 32 -6.616 -17.134 -6.319 1.00 0.00 N ATOM 440 CA ALA A 32 -5.748 -18.071 -7.021 1.00 0.00 C ATOM 441 C ALA A 32 -4.548 -17.355 -7.633 1.00 0.00 C ATOM 442 O ALA A 32 -3.402 -17.638 -7.285 1.00 0.00 O ATOM 443 CB ALA A 32 -6.530 -18.808 -8.099 1.00 0.00 C ATOM 0 H ALA A 32 -7.568 -17.089 -6.681 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.376 -18.796 -6.297 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.870 -19.505 -8.616 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.351 -19.359 -7.640 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.930 -18.089 -8.814 1.00 0.00 H new ATOM 449 N ASP A 33 -4.820 -16.428 -8.545 1.00 0.00 N ATOM 450 CA ASP A 33 -3.762 -15.672 -9.204 1.00 0.00 C ATOM 451 C ASP A 33 -2.820 -15.047 -8.179 1.00 0.00 C ATOM 452 O ASP A 33 -1.599 -15.132 -8.311 1.00 0.00 O ATOM 453 CB ASP A 33 -4.363 -14.583 -10.094 1.00 0.00 C ATOM 454 CG ASP A 33 -4.808 -15.116 -11.441 1.00 0.00 C ATOM 455 OD1 ASP A 33 -5.537 -16.129 -11.468 1.00 0.00 O ATOM 456 OD2 ASP A 33 -4.427 -14.519 -12.470 1.00 0.00 O ATOM 0 H ASP A 33 -5.764 -16.182 -8.844 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.189 -16.362 -9.824 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.215 -14.132 -9.586 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.627 -13.793 -10.244 1.00 0.00 H new ATOM 461 N ILE A 34 -3.397 -14.419 -7.160 1.00 0.00 N ATOM 462 CA ILE A 34 -2.609 -13.781 -6.113 1.00 0.00 C ATOM 463 C ILE A 34 -1.538 -14.724 -5.577 1.00 0.00 C ATOM 464 O ILE A 34 -0.352 -14.392 -5.563 1.00 0.00 O ATOM 465 CB ILE A 34 -3.498 -13.315 -4.944 1.00 0.00 C ATOM 466 CG1 ILE A 34 -4.590 -12.371 -5.450 1.00 0.00 C ATOM 467 CG2 ILE A 34 -2.655 -12.635 -3.876 1.00 0.00 C ATOM 468 CD1 ILE A 34 -5.810 -12.323 -4.556 1.00 0.00 C ATOM 0 H ILE A 34 -4.406 -14.338 -7.037 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.131 -12.912 -6.565 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.976 -14.188 -4.500 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.177 -11.366 -5.541 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.894 -12.683 -6.449 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.297 -12.311 -3.057 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.911 -13.336 -3.498 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.152 -11.769 -4.306 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.542 -11.634 -4.977 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.248 -13.319 -4.484 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.520 -11.982 -3.562 1.00 0.00 H new ATOM 480 N LYS A 35 -1.963 -15.905 -5.139 1.00 0.00 N ATOM 481 CA LYS A 35 -1.040 -16.900 -4.605 1.00 0.00 C ATOM 482 C LYS A 35 0.049 -17.232 -5.620 1.00 0.00 C ATOM 483 O LYS A 35 1.229 -17.305 -5.278 1.00 0.00 O ATOM 484 CB LYS A 35 -1.798 -18.173 -4.220 1.00 0.00 C ATOM 485 CG LYS A 35 -0.892 -19.316 -3.798 1.00 0.00 C ATOM 486 CD LYS A 35 -1.536 -20.666 -4.065 1.00 0.00 C ATOM 487 CE LYS A 35 -1.550 -20.992 -5.551 1.00 0.00 C ATOM 488 NZ LYS A 35 -0.173 -21.143 -6.098 1.00 0.00 N ATOM 0 H LYS A 35 -2.941 -16.196 -5.143 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.568 -16.482 -3.716 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.484 -17.945 -3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.405 -18.495 -5.067 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.053 -19.250 -4.337 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.661 -19.226 -2.737 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.993 -21.442 -3.526 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.556 -20.666 -3.682 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.109 -21.913 -5.716 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.071 -20.202 -6.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.224 -21.496 -7.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.308 -20.221 -6.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.361 -21.818 -5.514 1.00 0.00 H new ATOM 502 N LYS A 36 -0.354 -17.431 -6.870 1.00 0.00 N ATOM 503 CA LYS A 36 0.587 -17.752 -7.936 1.00 0.00 C ATOM 504 C LYS A 36 1.586 -16.617 -8.141 1.00 0.00 C ATOM 505 O LYS A 36 2.760 -16.854 -8.423 1.00 0.00 O ATOM 506 CB LYS A 36 -0.163 -18.027 -9.241 1.00 0.00 C ATOM 507 CG LYS A 36 -1.265 -19.063 -9.103 1.00 0.00 C ATOM 508 CD LYS A 36 -0.747 -20.467 -9.366 1.00 0.00 C ATOM 509 CE LYS A 36 -0.731 -20.785 -10.853 1.00 0.00 C ATOM 510 NZ LYS A 36 0.230 -21.876 -11.177 1.00 0.00 N ATOM 0 H LYS A 36 -1.327 -17.376 -7.170 1.00 0.00 H new ATOM 0 HA LYS A 36 1.136 -18.647 -7.644 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.596 -17.095 -9.605 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.548 -18.364 -9.995 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.689 -19.013 -8.100 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.070 -18.834 -9.802 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.260 -20.566 -8.961 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.373 -21.191 -8.845 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.732 -21.076 -11.173 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.465 -19.889 -11.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.211 -22.063 -12.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.189 -21.589 -10.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.038 -22.739 -10.662 1.00 0.00 H new ATOM 524 N ALA A 37 1.111 -15.385 -7.996 1.00 0.00 N ATOM 525 CA ALA A 37 1.963 -14.214 -8.162 1.00 0.00 C ATOM 526 C ALA A 37 2.956 -14.090 -7.011 1.00 0.00 C ATOM 527 O ALA A 37 4.138 -13.818 -7.225 1.00 0.00 O ATOM 528 CB ALA A 37 1.115 -12.955 -8.267 1.00 0.00 C ATOM 0 H ALA A 37 0.141 -15.172 -7.764 1.00 0.00 H new ATOM 0 HA ALA A 37 2.530 -14.336 -9.085 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.764 -12.088 -8.391 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.449 -13.035 -9.126 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.523 -12.838 -7.359 1.00 0.00 H new ATOM 534 N TYR A 38 2.470 -14.292 -5.792 1.00 0.00 N ATOM 535 CA TYR A 38 3.315 -14.200 -4.607 1.00 0.00 C ATOM 536 C TYR A 38 4.494 -15.162 -4.703 1.00 0.00 C ATOM 537 O TYR A 38 5.650 -14.743 -4.770 1.00 0.00 O ATOM 538 CB TYR A 38 2.499 -14.500 -3.348 1.00 0.00 C ATOM 539 CG TYR A 38 3.346 -14.852 -2.147 1.00 0.00 C ATOM 540 CD1 TYR A 38 3.845 -13.862 -1.310 1.00 0.00 C ATOM 541 CD2 TYR A 38 3.647 -16.175 -1.848 1.00 0.00 C ATOM 542 CE1 TYR A 38 4.620 -14.179 -0.211 1.00 0.00 C ATOM 543 CE2 TYR A 38 4.421 -16.502 -0.751 1.00 0.00 C ATOM 544 CZ TYR A 38 4.905 -15.500 0.064 1.00 0.00 C ATOM 545 OH TYR A 38 5.676 -15.820 1.158 1.00 0.00 O ATOM 0 H TYR A 38 1.495 -14.521 -5.598 1.00 0.00 H new ATOM 0 HA TYR A 38 3.703 -13.183 -4.547 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.886 -13.632 -3.107 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.817 -15.325 -3.555 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.623 -12.826 -1.522 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.269 -16.962 -2.484 1.00 0.00 H new ATOM 0 HE1 TYR A 38 5.000 -13.397 0.429 1.00 0.00 H new ATOM 0 HE2 TYR A 38 4.646 -17.536 -0.533 1.00 0.00 H new ATOM 0 HH TYR A 38 6.543 -15.368 1.091 1.00 0.00 H new ATOM 555 N LYS A 39 4.194 -16.457 -4.711 1.00 0.00 N ATOM 556 CA LYS A 39 5.227 -17.482 -4.801 1.00 0.00 C ATOM 557 C LYS A 39 6.385 -17.012 -5.675 1.00 0.00 C ATOM 558 O LYS A 39 7.516 -16.876 -5.206 1.00 0.00 O ATOM 559 CB LYS A 39 4.641 -18.778 -5.365 1.00 0.00 C ATOM 560 CG LYS A 39 4.102 -19.716 -4.300 1.00 0.00 C ATOM 561 CD LYS A 39 2.635 -19.446 -4.009 1.00 0.00 C ATOM 562 CE LYS A 39 2.070 -20.451 -3.017 1.00 0.00 C ATOM 563 NZ LYS A 39 1.868 -21.789 -3.637 1.00 0.00 N ATOM 0 H LYS A 39 3.243 -16.821 -4.656 1.00 0.00 H new ATOM 0 HA LYS A 39 5.606 -17.669 -3.796 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.838 -18.532 -6.060 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.411 -19.296 -5.937 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.225 -20.748 -4.627 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.683 -19.601 -3.385 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.521 -18.437 -3.612 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.065 -19.489 -4.937 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.747 -20.543 -2.168 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.120 -20.083 -2.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.885 -22.095 -3.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.063 -21.732 -4.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.514 -22.476 -3.199 1.00 0.00 H new ATOM 577 N LYS A 40 6.096 -16.763 -6.948 1.00 0.00 N ATOM 578 CA LYS A 40 7.112 -16.305 -7.888 1.00 0.00 C ATOM 579 C LYS A 40 7.998 -15.236 -7.255 1.00 0.00 C ATOM 580 O LYS A 40 9.224 -15.351 -7.256 1.00 0.00 O ATOM 581 CB LYS A 40 6.453 -15.752 -9.154 1.00 0.00 C ATOM 582 CG LYS A 40 7.427 -15.528 -10.298 1.00 0.00 C ATOM 583 CD LYS A 40 8.075 -14.156 -10.217 1.00 0.00 C ATOM 584 CE LYS A 40 7.113 -13.058 -10.645 1.00 0.00 C ATOM 585 NZ LYS A 40 7.730 -11.707 -10.537 1.00 0.00 N ATOM 0 H LYS A 40 5.166 -16.871 -7.352 1.00 0.00 H new ATOM 0 HA LYS A 40 7.736 -17.158 -8.153 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.675 -16.442 -9.480 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.962 -14.808 -8.916 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.198 -16.298 -10.276 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.903 -15.628 -11.248 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.410 -13.970 -9.196 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.961 -14.133 -10.852 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.798 -13.232 -11.674 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.217 -13.099 -10.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.043 -10.987 -10.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.008 -11.530 -9.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.571 -11.659 -11.147 1.00 0.00 H new ATOM 599 N LEU A 41 7.369 -14.198 -6.714 1.00 0.00 N ATOM 600 CA LEU A 41 8.100 -13.109 -6.076 1.00 0.00 C ATOM 601 C LEU A 41 8.973 -13.632 -4.939 1.00 0.00 C ATOM 602 O LEU A 41 10.099 -13.174 -4.747 1.00 0.00 O ATOM 603 CB LEU A 41 7.125 -12.058 -5.543 1.00 0.00 C ATOM 604 CG LEU A 41 6.588 -11.060 -6.569 1.00 0.00 C ATOM 605 CD1 LEU A 41 5.214 -10.556 -6.155 1.00 0.00 C ATOM 606 CD2 LEU A 41 7.555 -9.897 -6.740 1.00 0.00 C ATOM 0 H LEU A 41 6.355 -14.088 -6.705 1.00 0.00 H new ATOM 0 HA LEU A 41 8.746 -12.650 -6.824 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.278 -12.574 -5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.621 -11.500 -4.749 1.00 0.00 H new ATOM 0 HG LEU A 41 6.492 -11.570 -7.527 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.848 -9.847 -6.897 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.524 -11.397 -6.085 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.284 -10.063 -5.186 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.156 -9.197 -7.474 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.684 -9.387 -5.785 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.519 -10.273 -7.083 1.00 0.00 H new ATOM 618 N ALA A 42 8.446 -14.595 -4.190 1.00 0.00 N ATOM 619 CA ALA A 42 9.178 -15.183 -3.076 1.00 0.00 C ATOM 620 C ALA A 42 10.376 -15.987 -3.569 1.00 0.00 C ATOM 621 O ALA A 42 11.450 -15.950 -2.970 1.00 0.00 O ATOM 622 CB ALA A 42 8.256 -16.062 -2.243 1.00 0.00 C ATOM 0 H ALA A 42 7.514 -14.984 -4.335 1.00 0.00 H new ATOM 0 HA ALA A 42 9.551 -14.372 -2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.817 -16.495 -1.414 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.436 -15.460 -1.851 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.855 -16.861 -2.866 1.00 0.00 H new ATOM 628 N ARG A 43 10.183 -16.715 -4.665 1.00 0.00 N ATOM 629 CA ARG A 43 11.247 -17.530 -5.237 1.00 0.00 C ATOM 630 C ARG A 43 12.332 -16.653 -5.855 1.00 0.00 C ATOM 631 O ARG A 43 13.522 -16.864 -5.621 1.00 0.00 O ATOM 632 CB ARG A 43 10.680 -18.478 -6.296 1.00 0.00 C ATOM 633 CG ARG A 43 10.084 -19.751 -5.717 1.00 0.00 C ATOM 634 CD ARG A 43 8.672 -19.521 -5.201 1.00 0.00 C ATOM 635 NE ARG A 43 8.174 -20.663 -4.439 1.00 0.00 N ATOM 636 CZ ARG A 43 8.468 -20.879 -3.162 1.00 0.00 C ATOM 637 NH1 ARG A 43 9.253 -20.035 -2.507 1.00 0.00 N ATOM 638 NH2 ARG A 43 7.977 -21.942 -2.537 1.00 0.00 N ATOM 0 H ARG A 43 9.300 -16.756 -5.174 1.00 0.00 H new ATOM 0 HA ARG A 43 11.691 -18.117 -4.433 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.913 -17.955 -6.867 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.473 -18.743 -6.996 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.071 -20.528 -6.481 1.00 0.00 H new ATOM 0 HG3 ARG A 43 10.715 -20.113 -4.905 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.657 -18.631 -4.572 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.006 -19.328 -6.042 1.00 0.00 H new ATOM 0 HE ARG A 43 7.567 -21.331 -4.914 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.633 -19.217 -2.984 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.477 -20.203 -1.526 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.373 -22.594 -3.037 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.204 -22.107 -1.556 1.00 0.00 H new ATOM 652 N GLU A 44 11.912 -15.669 -6.644 1.00 0.00 N ATOM 653 CA GLU A 44 12.849 -14.761 -7.295 1.00 0.00 C ATOM 654 C GLU A 44 13.569 -13.892 -6.268 1.00 0.00 C ATOM 655 O GLU A 44 14.796 -13.793 -6.273 1.00 0.00 O ATOM 656 CB GLU A 44 12.116 -13.874 -8.305 1.00 0.00 C ATOM 657 CG GLU A 44 11.941 -14.522 -9.668 1.00 0.00 C ATOM 658 CD GLU A 44 13.222 -15.143 -10.188 1.00 0.00 C ATOM 659 OE1 GLU A 44 13.519 -16.296 -9.811 1.00 0.00 O ATOM 660 OE2 GLU A 44 13.929 -14.476 -10.973 1.00 0.00 O ATOM 0 H GLU A 44 10.930 -15.480 -6.848 1.00 0.00 H new ATOM 0 HA GLU A 44 13.591 -15.362 -7.820 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.135 -13.617 -7.905 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.667 -12.941 -8.423 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.169 -15.289 -9.605 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.590 -13.774 -10.379 1.00 0.00 H new ATOM 667 N TRP A 45 12.796 -13.264 -5.388 1.00 0.00 N ATOM 668 CA TRP A 45 13.360 -12.403 -4.355 1.00 0.00 C ATOM 669 C TRP A 45 13.700 -13.205 -3.104 1.00 0.00 C ATOM 670 O TRP A 45 13.980 -12.637 -2.047 1.00 0.00 O ATOM 671 CB TRP A 45 12.379 -11.282 -4.006 1.00 0.00 C ATOM 672 CG TRP A 45 12.103 -10.356 -5.151 1.00 0.00 C ATOM 673 CD1 TRP A 45 11.130 -10.494 -6.100 1.00 0.00 C ATOM 674 CD2 TRP A 45 12.808 -9.152 -5.469 1.00 0.00 C ATOM 675 NE1 TRP A 45 11.189 -9.447 -6.989 1.00 0.00 N ATOM 676 CE2 TRP A 45 12.209 -8.610 -6.623 1.00 0.00 C ATOM 677 CE3 TRP A 45 13.887 -8.477 -4.890 1.00 0.00 C ATOM 678 CZ2 TRP A 45 12.655 -7.427 -7.207 1.00 0.00 C ATOM 679 CZ3 TRP A 45 14.328 -7.303 -5.471 1.00 0.00 C ATOM 680 CH2 TRP A 45 13.712 -6.787 -6.619 1.00 0.00 C ATOM 0 H TRP A 45 11.779 -13.335 -5.370 1.00 0.00 H new ATOM 0 HA TRP A 45 14.279 -11.965 -4.744 1.00 0.00 H new ATOM 0 HB2 TRP A 45 11.440 -11.722 -3.670 1.00 0.00 H new ATOM 0 HB3 TRP A 45 12.778 -10.707 -3.171 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.419 -11.306 -6.145 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.573 -9.315 -7.791 1.00 0.00 H new ATOM 0 HE3 TRP A 45 14.367 -8.866 -4.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 12.183 -7.029 -8.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 15.162 -6.774 -5.033 1.00 0.00 H new ATOM 0 HH2 TRP A 45 14.079 -5.866 -7.048 1.00 0.00 H new ATOM 691 N HIS A 46 13.674 -14.528 -3.229 1.00 0.00 N ATOM 692 CA HIS A 46 13.982 -15.408 -2.107 1.00 0.00 C ATOM 693 C HIS A 46 15.315 -15.030 -1.469 1.00 0.00 C ATOM 694 O HIS A 46 16.384 -15.209 -2.053 1.00 0.00 O ATOM 695 CB HIS A 46 14.020 -16.865 -2.570 1.00 0.00 C ATOM 696 CG HIS A 46 13.628 -17.842 -1.506 1.00 0.00 C ATOM 697 ND1 HIS A 46 13.376 -17.474 -0.201 1.00 0.00 N ATOM 698 CD2 HIS A 46 13.442 -19.182 -1.559 1.00 0.00 C ATOM 699 CE1 HIS A 46 13.054 -18.544 0.502 1.00 0.00 C ATOM 700 NE2 HIS A 46 13.086 -19.594 -0.298 1.00 0.00 N ATOM 0 H HIS A 46 13.443 -15.014 -4.095 1.00 0.00 H new ATOM 0 HA HIS A 46 13.196 -15.292 -1.360 1.00 0.00 H new ATOM 0 HB2 HIS A 46 13.353 -16.984 -3.424 1.00 0.00 H new ATOM 0 HB3 HIS A 46 15.026 -17.102 -2.916 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.553 -19.810 -2.431 1.00 0.00 H new ATOM 0 HE1 HIS A 46 12.806 -18.558 1.553 1.00 0.00 H new ATOM 0 HE2 HIS A 46 12.880 -20.555 -0.024 1.00 0.00 H new ATOM 708 N PRO A 47 15.252 -14.492 -0.242 1.00 0.00 N ATOM 709 CA PRO A 47 16.445 -14.077 0.502 1.00 0.00 C ATOM 710 C PRO A 47 17.287 -15.264 0.958 1.00 0.00 C ATOM 711 O PRO A 47 18.510 -15.169 1.056 1.00 0.00 O ATOM 712 CB PRO A 47 15.869 -13.335 1.711 1.00 0.00 C ATOM 713 CG PRO A 47 14.507 -13.908 1.893 1.00 0.00 C ATOM 714 CD PRO A 47 14.013 -14.249 0.515 1.00 0.00 C ATOM 0 HA PRO A 47 17.115 -13.471 -0.108 1.00 0.00 H new ATOM 0 HB2 PRO A 47 16.484 -13.486 2.598 1.00 0.00 H new ATOM 0 HB3 PRO A 47 15.826 -12.261 1.532 1.00 0.00 H new ATOM 0 HG2 PRO A 47 14.538 -14.794 2.527 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.844 -13.192 2.379 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.369 -15.129 0.525 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.432 -13.434 0.083 1.00 0.00 H new ATOM 722 N ASP A 48 16.624 -16.382 1.235 1.00 0.00 N ATOM 723 CA ASP A 48 17.311 -17.588 1.679 1.00 0.00 C ATOM 724 C ASP A 48 18.409 -17.982 0.696 1.00 0.00 C ATOM 725 O ASP A 48 19.425 -18.561 1.081 1.00 0.00 O ATOM 726 CB ASP A 48 16.316 -18.739 1.839 1.00 0.00 C ATOM 727 CG ASP A 48 15.590 -18.695 3.169 1.00 0.00 C ATOM 728 OD1 ASP A 48 15.371 -17.581 3.689 1.00 0.00 O ATOM 729 OD2 ASP A 48 15.241 -19.775 3.691 1.00 0.00 O ATOM 0 H ASP A 48 15.611 -16.477 1.160 1.00 0.00 H new ATOM 0 HA ASP A 48 17.771 -17.379 2.645 1.00 0.00 H new ATOM 0 HB2 ASP A 48 15.587 -18.701 1.029 1.00 0.00 H new ATOM 0 HB3 ASP A 48 16.845 -19.688 1.748 1.00 0.00 H new ATOM 734 N LYS A 49 18.197 -17.664 -0.577 1.00 0.00 N ATOM 735 CA LYS A 49 19.167 -17.984 -1.618 1.00 0.00 C ATOM 736 C LYS A 49 19.904 -16.730 -2.078 1.00 0.00 C ATOM 737 O LYS A 49 21.047 -16.801 -2.527 1.00 0.00 O ATOM 738 CB LYS A 49 18.469 -18.644 -2.809 1.00 0.00 C ATOM 739 CG LYS A 49 18.237 -20.134 -2.629 1.00 0.00 C ATOM 740 CD LYS A 49 17.800 -20.792 -3.927 1.00 0.00 C ATOM 741 CE LYS A 49 18.984 -21.059 -4.843 1.00 0.00 C ATOM 742 NZ LYS A 49 19.589 -22.397 -4.591 1.00 0.00 N ATOM 0 H LYS A 49 17.362 -17.185 -0.913 1.00 0.00 H new ATOM 0 HA LYS A 49 19.895 -18.680 -1.200 1.00 0.00 H new ATOM 0 HB2 LYS A 49 17.510 -18.153 -2.975 1.00 0.00 H new ATOM 0 HB3 LYS A 49 19.069 -18.484 -3.705 1.00 0.00 H new ATOM 0 HG2 LYS A 49 19.153 -20.605 -2.272 1.00 0.00 H new ATOM 0 HG3 LYS A 49 17.477 -20.295 -1.865 1.00 0.00 H new ATOM 0 HD2 LYS A 49 17.290 -21.730 -3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 49 17.081 -20.151 -4.437 1.00 0.00 H new ATOM 0 HE2 LYS A 49 18.661 -20.996 -5.882 1.00 0.00 H new ATOM 0 HE3 LYS A 49 19.738 -20.286 -4.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 20.393 -22.541 -5.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 19.920 -22.448 -3.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 18.877 -23.137 -4.755 1.00 0.00 H new ATOM 756 N ASN A 50 19.243 -15.584 -1.961 1.00 0.00 N ATOM 757 CA ASN A 50 19.836 -14.314 -2.364 1.00 0.00 C ATOM 758 C ASN A 50 21.076 -14.004 -1.531 1.00 0.00 C ATOM 759 O ASN A 50 21.101 -14.239 -0.323 1.00 0.00 O ATOM 760 CB ASN A 50 18.817 -13.182 -2.221 1.00 0.00 C ATOM 761 CG ASN A 50 19.043 -12.069 -3.226 1.00 0.00 C ATOM 762 OD1 ASN A 50 20.174 -11.635 -3.444 1.00 0.00 O ATOM 763 ND2 ASN A 50 17.964 -11.602 -3.844 1.00 0.00 N ATOM 0 H ASN A 50 18.296 -15.508 -1.590 1.00 0.00 H new ATOM 0 HA ASN A 50 20.133 -14.397 -3.410 1.00 0.00 H new ATOM 0 HB2 ASN A 50 17.812 -13.584 -2.348 1.00 0.00 H new ATOM 0 HB3 ASN A 50 18.872 -12.773 -1.212 1.00 0.00 H new ATOM 0 HD21 ASN A 50 18.054 -10.853 -4.531 1.00 0.00 H new ATOM 0 HD22 ASN A 50 17.046 -11.992 -3.632 1.00 0.00 H new ATOM 770 N LYS A 51 22.105 -13.476 -2.186 1.00 0.00 N ATOM 771 CA LYS A 51 23.349 -13.132 -1.507 1.00 0.00 C ATOM 772 C LYS A 51 23.464 -11.623 -1.314 1.00 0.00 C ATOM 773 O LYS A 51 24.118 -11.155 -0.382 1.00 0.00 O ATOM 774 CB LYS A 51 24.549 -13.648 -2.305 1.00 0.00 C ATOM 775 CG LYS A 51 24.547 -15.154 -2.500 1.00 0.00 C ATOM 776 CD LYS A 51 25.019 -15.879 -1.250 1.00 0.00 C ATOM 777 CE LYS A 51 26.537 -15.903 -1.159 1.00 0.00 C ATOM 778 NZ LYS A 51 27.007 -16.007 0.250 1.00 0.00 N ATOM 0 H LYS A 51 22.102 -13.277 -3.186 1.00 0.00 H new ATOM 0 HA LYS A 51 23.342 -13.607 -0.526 1.00 0.00 H new ATOM 0 HB2 LYS A 51 24.561 -13.164 -3.281 1.00 0.00 H new ATOM 0 HB3 LYS A 51 25.467 -13.357 -1.794 1.00 0.00 H new ATOM 0 HG2 LYS A 51 23.542 -15.487 -2.757 1.00 0.00 H new ATOM 0 HG3 LYS A 51 25.193 -15.414 -3.338 1.00 0.00 H new ATOM 0 HD2 LYS A 51 24.608 -15.389 -0.367 1.00 0.00 H new ATOM 0 HD3 LYS A 51 24.638 -16.900 -1.254 1.00 0.00 H new ATOM 0 HE2 LYS A 51 26.922 -16.746 -1.733 1.00 0.00 H new ATOM 0 HE3 LYS A 51 26.942 -14.998 -1.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 28.047 -16.020 0.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 26.661 -15.190 0.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 26.642 -16.884 0.674 1.00 0.00 H new ATOM 792 N ASP A 52 22.824 -10.868 -2.200 1.00 0.00 N ATOM 793 CA ASP A 52 22.853 -9.412 -2.125 1.00 0.00 C ATOM 794 C ASP A 52 22.172 -8.919 -0.852 1.00 0.00 C ATOM 795 O ASP A 52 21.083 -9.364 -0.488 1.00 0.00 O ATOM 796 CB ASP A 52 22.169 -8.803 -3.351 1.00 0.00 C ATOM 797 CG ASP A 52 23.137 -8.561 -4.493 1.00 0.00 C ATOM 798 OD1 ASP A 52 23.918 -9.481 -4.814 1.00 0.00 O ATOM 799 OD2 ASP A 52 23.114 -7.451 -5.064 1.00 0.00 O ATOM 0 H ASP A 52 22.279 -11.240 -2.978 1.00 0.00 H new ATOM 0 HA ASP A 52 23.896 -9.095 -2.104 1.00 0.00 H new ATOM 0 HB2 ASP A 52 21.373 -9.468 -3.687 1.00 0.00 H new ATOM 0 HB3 ASP A 52 21.699 -7.860 -3.071 1.00 0.00 H new ATOM 804 N PRO A 53 22.829 -7.979 -0.155 1.00 0.00 N ATOM 805 CA PRO A 53 22.306 -7.406 1.089 1.00 0.00 C ATOM 806 C PRO A 53 21.088 -6.520 0.852 1.00 0.00 C ATOM 807 O PRO A 53 21.212 -5.391 0.381 1.00 0.00 O ATOM 808 CB PRO A 53 23.478 -6.575 1.616 1.00 0.00 C ATOM 809 CG PRO A 53 24.276 -6.233 0.405 1.00 0.00 C ATOM 810 CD PRO A 53 24.131 -7.403 -0.530 1.00 0.00 C ATOM 0 HA PRO A 53 21.966 -8.176 1.782 1.00 0.00 H new ATOM 0 HB2 PRO A 53 23.129 -5.677 2.126 1.00 0.00 H new ATOM 0 HB3 PRO A 53 24.072 -7.140 2.335 1.00 0.00 H new ATOM 0 HG2 PRO A 53 23.910 -5.316 -0.057 1.00 0.00 H new ATOM 0 HG3 PRO A 53 25.322 -6.065 0.661 1.00 0.00 H new ATOM 0 HD2 PRO A 53 24.146 -7.088 -1.573 1.00 0.00 H new ATOM 0 HD3 PRO A 53 24.940 -8.122 -0.403 1.00 0.00 H new ATOM 818 N GLY A 54 19.910 -7.040 1.183 1.00 0.00 N ATOM 819 CA GLY A 54 18.686 -6.282 0.999 1.00 0.00 C ATOM 820 C GLY A 54 17.525 -7.153 0.563 1.00 0.00 C ATOM 821 O GLY A 54 16.374 -6.882 0.906 1.00 0.00 O ATOM 0 H GLY A 54 19.781 -7.973 1.575 1.00 0.00 H new ATOM 0 HA2 GLY A 54 18.429 -5.780 1.932 1.00 0.00 H new ATOM 0 HA3 GLY A 54 18.853 -5.504 0.254 1.00 0.00 H new ATOM 825 N ALA A 55 17.825 -8.201 -0.196 1.00 0.00 N ATOM 826 CA ALA A 55 16.797 -9.114 -0.680 1.00 0.00 C ATOM 827 C ALA A 55 15.713 -9.326 0.371 1.00 0.00 C ATOM 828 O ALA A 55 14.526 -9.373 0.050 1.00 0.00 O ATOM 829 CB ALA A 55 17.418 -10.446 -1.076 1.00 0.00 C ATOM 0 H ALA A 55 18.772 -8.439 -0.489 1.00 0.00 H new ATOM 0 HA ALA A 55 16.333 -8.666 -1.559 1.00 0.00 H new ATOM 0 HB1 ALA A 55 16.639 -11.118 -1.436 1.00 0.00 H new ATOM 0 HB2 ALA A 55 18.151 -10.285 -1.866 1.00 0.00 H new ATOM 0 HB3 ALA A 55 17.909 -10.890 -0.210 1.00 0.00 H new ATOM 835 N GLU A 56 16.129 -9.453 1.627 1.00 0.00 N ATOM 836 CA GLU A 56 15.191 -9.661 2.725 1.00 0.00 C ATOM 837 C GLU A 56 14.108 -8.586 2.726 1.00 0.00 C ATOM 838 O GLU A 56 12.930 -8.877 2.522 1.00 0.00 O ATOM 839 CB GLU A 56 15.931 -9.657 4.064 1.00 0.00 C ATOM 840 CG GLU A 56 15.159 -10.329 5.187 1.00 0.00 C ATOM 841 CD GLU A 56 16.064 -10.847 6.288 1.00 0.00 C ATOM 842 OE1 GLU A 56 16.926 -10.078 6.760 1.00 0.00 O ATOM 843 OE2 GLU A 56 15.909 -12.024 6.678 1.00 0.00 O ATOM 0 H GLU A 56 17.108 -9.416 1.910 1.00 0.00 H new ATOM 0 HA GLU A 56 14.715 -10.631 2.584 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.890 -10.161 3.941 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.146 -8.627 4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.448 -9.619 5.610 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.579 -11.157 4.779 1.00 0.00 H new ATOM 850 N ASP A 57 14.517 -7.343 2.958 1.00 0.00 N ATOM 851 CA ASP A 57 13.583 -6.224 2.986 1.00 0.00 C ATOM 852 C ASP A 57 12.489 -6.403 1.937 1.00 0.00 C ATOM 853 O ASP A 57 11.308 -6.505 2.269 1.00 0.00 O ATOM 854 CB ASP A 57 14.324 -4.907 2.749 1.00 0.00 C ATOM 855 CG ASP A 57 13.499 -3.699 3.146 1.00 0.00 C ATOM 856 OD1 ASP A 57 12.800 -3.771 4.179 1.00 0.00 O ATOM 857 OD2 ASP A 57 13.554 -2.681 2.426 1.00 0.00 O ATOM 0 H ASP A 57 15.489 -7.086 3.129 1.00 0.00 H new ATOM 0 HA ASP A 57 13.116 -6.197 3.971 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.255 -4.910 3.316 1.00 0.00 H new ATOM 0 HB3 ASP A 57 14.593 -4.829 1.696 1.00 0.00 H new ATOM 862 N ARG A 58 12.891 -6.438 0.671 1.00 0.00 N ATOM 863 CA ARG A 58 11.945 -6.602 -0.426 1.00 0.00 C ATOM 864 C ARG A 58 10.915 -7.679 -0.100 1.00 0.00 C ATOM 865 O ARG A 58 9.709 -7.446 -0.188 1.00 0.00 O ATOM 866 CB ARG A 58 12.685 -6.963 -1.716 1.00 0.00 C ATOM 867 CG ARG A 58 11.957 -6.527 -2.977 1.00 0.00 C ATOM 868 CD ARG A 58 11.856 -5.012 -3.067 1.00 0.00 C ATOM 869 NE ARG A 58 11.831 -4.546 -4.451 1.00 0.00 N ATOM 870 CZ ARG A 58 11.409 -3.340 -4.812 1.00 0.00 C ATOM 871 NH1 ARG A 58 10.980 -2.482 -3.897 1.00 0.00 N ATOM 872 NH2 ARG A 58 11.417 -2.989 -6.092 1.00 0.00 N ATOM 0 H ARG A 58 13.865 -6.355 0.380 1.00 0.00 H new ATOM 0 HA ARG A 58 11.423 -5.655 -0.567 1.00 0.00 H new ATOM 0 HB2 ARG A 58 13.673 -6.503 -1.699 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.836 -8.042 -1.748 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.482 -6.910 -3.852 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.957 -6.961 -2.989 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.953 -4.678 -2.556 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.702 -4.561 -2.548 1.00 0.00 H new ATOM 0 HE ARG A 58 12.155 -5.182 -5.180 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.973 -2.748 -2.912 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.657 -1.556 -4.178 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.747 -3.646 -6.799 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.093 -2.062 -6.369 1.00 0.00 H new ATOM 886 N PHE A 59 11.398 -8.858 0.277 1.00 0.00 N ATOM 887 CA PHE A 59 10.519 -9.972 0.615 1.00 0.00 C ATOM 888 C PHE A 59 9.561 -9.586 1.738 1.00 0.00 C ATOM 889 O PHE A 59 8.371 -9.899 1.687 1.00 0.00 O ATOM 890 CB PHE A 59 11.344 -11.192 1.030 1.00 0.00 C ATOM 891 CG PHE A 59 10.537 -12.455 1.130 1.00 0.00 C ATOM 892 CD1 PHE A 59 9.623 -12.629 2.156 1.00 0.00 C ATOM 893 CD2 PHE A 59 10.693 -13.467 0.197 1.00 0.00 C ATOM 894 CE1 PHE A 59 8.880 -13.791 2.251 1.00 0.00 C ATOM 895 CE2 PHE A 59 9.952 -14.631 0.286 1.00 0.00 C ATOM 896 CZ PHE A 59 9.044 -14.792 1.314 1.00 0.00 C ATOM 0 H PHE A 59 12.393 -9.067 0.356 1.00 0.00 H new ATOM 0 HA PHE A 59 9.933 -10.222 -0.269 1.00 0.00 H new ATOM 0 HB2 PHE A 59 12.148 -11.340 0.309 1.00 0.00 H new ATOM 0 HB3 PHE A 59 11.813 -10.993 1.993 1.00 0.00 H new ATOM 0 HD1 PHE A 59 9.489 -11.848 2.890 1.00 0.00 H new ATOM 0 HD2 PHE A 59 11.401 -13.345 -0.609 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.172 -13.916 3.057 1.00 0.00 H new ATOM 0 HE2 PHE A 59 10.083 -15.413 -0.447 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.463 -15.700 1.385 1.00 0.00 H new ATOM 906 N ILE A 60 10.088 -8.906 2.751 1.00 0.00 N ATOM 907 CA ILE A 60 9.279 -8.477 3.885 1.00 0.00 C ATOM 908 C ILE A 60 7.984 -7.820 3.421 1.00 0.00 C ATOM 909 O ILE A 60 6.927 -8.021 4.017 1.00 0.00 O ATOM 910 CB ILE A 60 10.049 -7.492 4.784 1.00 0.00 C ATOM 911 CG1 ILE A 60 11.359 -8.120 5.263 1.00 0.00 C ATOM 912 CG2 ILE A 60 9.191 -7.075 5.969 1.00 0.00 C ATOM 913 CD1 ILE A 60 11.274 -9.617 5.461 1.00 0.00 C ATOM 0 H ILE A 60 11.071 -8.641 2.809 1.00 0.00 H new ATOM 0 HA ILE A 60 9.042 -9.372 4.460 1.00 0.00 H new ATOM 0 HB ILE A 60 10.287 -6.602 4.201 1.00 0.00 H new ATOM 0 HG12 ILE A 60 12.144 -7.901 4.539 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.654 -7.653 6.203 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.749 -6.379 6.595 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.283 -6.591 5.609 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.925 -7.956 6.554 1.00 0.00 H new ATOM 0 HD11 ILE A 60 12.238 -9.994 5.801 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.512 -9.843 6.207 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.010 -10.094 4.517 1.00 0.00 H new ATOM 925 N GLN A 61 8.076 -7.035 2.352 1.00 0.00 N ATOM 926 CA GLN A 61 6.911 -6.349 1.807 1.00 0.00 C ATOM 927 C GLN A 61 6.002 -7.324 1.065 1.00 0.00 C ATOM 928 O GLN A 61 4.787 -7.326 1.261 1.00 0.00 O ATOM 929 CB GLN A 61 7.348 -5.224 0.866 1.00 0.00 C ATOM 930 CG GLN A 61 7.543 -3.888 1.565 1.00 0.00 C ATOM 931 CD GLN A 61 7.864 -2.766 0.598 1.00 0.00 C ATOM 932 OE1 GLN A 61 9.030 -2.481 0.325 1.00 0.00 O ATOM 933 NE2 GLN A 61 6.828 -2.121 0.073 1.00 0.00 N ATOM 0 H GLN A 61 8.944 -6.859 1.847 1.00 0.00 H new ATOM 0 HA GLN A 61 6.352 -5.921 2.639 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.281 -5.510 0.380 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.601 -5.108 0.080 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.639 -3.637 2.120 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.349 -3.977 2.293 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.878 -2.390 0.327 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.983 -1.357 -0.584 1.00 0.00 H new ATOM 942 N ILE A 62 6.600 -8.150 0.213 1.00 0.00 N ATOM 943 CA ILE A 62 5.845 -9.130 -0.558 1.00 0.00 C ATOM 944 C ILE A 62 4.972 -9.989 0.351 1.00 0.00 C ATOM 945 O ILE A 62 3.792 -10.203 0.073 1.00 0.00 O ATOM 946 CB ILE A 62 6.777 -10.047 -1.371 1.00 0.00 C ATOM 947 CG1 ILE A 62 7.634 -9.217 -2.330 1.00 0.00 C ATOM 948 CG2 ILE A 62 5.967 -11.082 -2.137 1.00 0.00 C ATOM 949 CD1 ILE A 62 8.958 -9.865 -2.671 1.00 0.00 C ATOM 0 H ILE A 62 7.605 -8.160 0.039 1.00 0.00 H new ATOM 0 HA ILE A 62 5.211 -8.570 -1.245 1.00 0.00 H new ATOM 0 HB ILE A 62 7.439 -10.571 -0.681 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.074 -9.046 -3.250 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.821 -8.240 -1.885 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.641 -11.722 -2.707 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.396 -11.689 -1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.283 -10.577 -2.819 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.513 -9.222 -3.354 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.537 -10.011 -1.759 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.779 -10.830 -3.146 1.00 0.00 H new ATOM 961 N SER A 63 5.559 -10.477 1.439 1.00 0.00 N ATOM 962 CA SER A 63 4.836 -11.314 2.388 1.00 0.00 C ATOM 963 C SER A 63 3.748 -10.515 3.098 1.00 0.00 C ATOM 964 O SER A 63 2.615 -10.975 3.241 1.00 0.00 O ATOM 965 CB SER A 63 5.801 -11.908 3.416 1.00 0.00 C ATOM 966 OG SER A 63 5.338 -13.161 3.886 1.00 0.00 O ATOM 0 H SER A 63 6.534 -10.307 1.685 1.00 0.00 H new ATOM 0 HA SER A 63 4.364 -12.125 1.833 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.787 -12.026 2.967 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.913 -11.220 4.254 1.00 0.00 H new ATOM 0 HG SER A 63 5.973 -13.520 4.540 1.00 0.00 H new ATOM 972 N LYS A 64 4.100 -9.313 3.543 1.00 0.00 N ATOM 973 CA LYS A 64 3.156 -8.447 4.238 1.00 0.00 C ATOM 974 C LYS A 64 1.948 -8.141 3.357 1.00 0.00 C ATOM 975 O LYS A 64 0.807 -8.180 3.816 1.00 0.00 O ATOM 976 CB LYS A 64 3.839 -7.143 4.654 1.00 0.00 C ATOM 977 CG LYS A 64 4.897 -7.327 5.729 1.00 0.00 C ATOM 978 CD LYS A 64 4.305 -7.199 7.122 1.00 0.00 C ATOM 979 CE LYS A 64 4.347 -5.761 7.616 1.00 0.00 C ATOM 980 NZ LYS A 64 3.225 -5.462 8.548 1.00 0.00 N ATOM 0 H LYS A 64 5.034 -8.917 3.434 1.00 0.00 H new ATOM 0 HA LYS A 64 2.811 -8.970 5.130 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.299 -6.688 3.777 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.083 -6.446 5.015 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.362 -8.307 5.619 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.684 -6.584 5.597 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.274 -7.552 7.114 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.855 -7.838 7.812 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.296 -5.578 8.120 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.302 -5.083 6.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.289 -4.473 8.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.319 -5.612 8.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.282 -6.092 9.374 1.00 0.00 H new ATOM 994 N ALA A 65 2.208 -7.838 2.089 1.00 0.00 N ATOM 995 CA ALA A 65 1.142 -7.529 1.144 1.00 0.00 C ATOM 996 C ALA A 65 0.201 -8.716 0.971 1.00 0.00 C ATOM 997 O ALA A 65 -1.015 -8.583 1.109 1.00 0.00 O ATOM 998 CB ALA A 65 1.730 -7.118 -0.198 1.00 0.00 C ATOM 0 H ALA A 65 3.147 -7.800 1.693 1.00 0.00 H new ATOM 0 HA ALA A 65 0.564 -6.697 1.545 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.923 -6.890 -0.894 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.356 -6.235 -0.066 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.333 -7.934 -0.596 1.00 0.00 H new ATOM 1004 N TYR A 66 0.771 -9.877 0.667 1.00 0.00 N ATOM 1005 CA TYR A 66 -0.018 -11.088 0.471 1.00 0.00 C ATOM 1006 C TYR A 66 -0.783 -11.450 1.741 1.00 0.00 C ATOM 1007 O TYR A 66 -1.951 -11.834 1.686 1.00 0.00 O ATOM 1008 CB TYR A 66 0.887 -12.250 0.058 1.00 0.00 C ATOM 1009 CG TYR A 66 0.131 -13.516 -0.276 1.00 0.00 C ATOM 1010 CD1 TYR A 66 -1.049 -13.471 -1.009 1.00 0.00 C ATOM 1011 CD2 TYR A 66 0.596 -14.757 0.140 1.00 0.00 C ATOM 1012 CE1 TYR A 66 -1.743 -14.625 -1.317 1.00 0.00 C ATOM 1013 CE2 TYR A 66 -0.090 -15.916 -0.164 1.00 0.00 C ATOM 1014 CZ TYR A 66 -1.259 -15.845 -0.892 1.00 0.00 C ATOM 1015 OH TYR A 66 -1.947 -16.998 -1.196 1.00 0.00 O ATOM 0 H TYR A 66 1.776 -10.005 0.551 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.739 -10.898 -0.324 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.477 -11.950 -0.808 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.589 -12.458 0.866 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.430 -12.517 -1.344 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.510 -14.816 0.711 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.659 -14.572 -1.887 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.287 -16.873 0.166 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.472 -17.770 -0.824 1.00 0.00 H new ATOM 1025 N GLU A 67 -0.114 -11.325 2.883 1.00 0.00 N ATOM 1026 CA GLU A 67 -0.731 -11.640 4.166 1.00 0.00 C ATOM 1027 C GLU A 67 -2.177 -11.156 4.208 1.00 0.00 C ATOM 1028 O GLU A 67 -3.078 -11.893 4.612 1.00 0.00 O ATOM 1029 CB GLU A 67 0.064 -11.004 5.309 1.00 0.00 C ATOM 1030 CG GLU A 67 1.163 -11.899 5.857 1.00 0.00 C ATOM 1031 CD GLU A 67 1.931 -11.250 6.993 1.00 0.00 C ATOM 1032 OE1 GLU A 67 1.286 -10.648 7.877 1.00 0.00 O ATOM 1033 OE2 GLU A 67 3.176 -11.344 6.997 1.00 0.00 O ATOM 0 H GLU A 67 0.854 -11.008 2.946 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.725 -12.723 4.287 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.507 -10.072 4.958 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.620 -10.747 6.117 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.725 -12.834 6.207 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.855 -12.152 5.054 1.00 0.00 H new ATOM 1040 N ILE A 68 -2.392 -9.914 3.789 1.00 0.00 N ATOM 1041 CA ILE A 68 -3.729 -9.332 3.778 1.00 0.00 C ATOM 1042 C ILE A 68 -4.666 -10.124 2.872 1.00 0.00 C ATOM 1043 O ILE A 68 -5.721 -10.588 3.306 1.00 0.00 O ATOM 1044 CB ILE A 68 -3.700 -7.865 3.310 1.00 0.00 C ATOM 1045 CG1 ILE A 68 -2.794 -7.034 4.221 1.00 0.00 C ATOM 1046 CG2 ILE A 68 -5.108 -7.289 3.287 1.00 0.00 C ATOM 1047 CD1 ILE A 68 -2.424 -5.688 3.640 1.00 0.00 C ATOM 0 H ILE A 68 -1.658 -9.291 3.453 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.099 -9.371 4.803 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.297 -7.830 2.298 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.295 -6.883 5.177 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.882 -7.596 4.424 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.071 -6.252 2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.727 -7.868 2.602 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.536 -7.334 4.289 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.781 -5.154 4.340 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.895 -5.831 2.698 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.329 -5.107 3.463 1.00 0.00 H new ATOM 1059 N LEU A 69 -4.272 -10.278 1.613 1.00 0.00 N ATOM 1060 CA LEU A 69 -5.076 -11.016 0.645 1.00 0.00 C ATOM 1061 C LEU A 69 -5.205 -12.481 1.049 1.00 0.00 C ATOM 1062 O LEU A 69 -6.298 -12.956 1.359 1.00 0.00 O ATOM 1063 CB LEU A 69 -4.454 -10.913 -0.749 1.00 0.00 C ATOM 1064 CG LEU A 69 -4.011 -9.516 -1.184 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -2.833 -9.603 -2.142 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -5.169 -8.765 -1.826 1.00 0.00 C ATOM 0 H LEU A 69 -3.401 -9.902 1.238 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.072 -10.574 0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.589 -11.576 -0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.176 -11.286 -1.476 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.693 -8.965 -0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.532 -8.599 -2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.998 -10.100 -1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.123 -10.172 -3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.835 -7.773 -2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.518 -9.314 -2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.984 -8.670 -1.108 1.00 0.00 H new ATOM 1078 N SER A 70 -4.082 -13.192 1.046 1.00 0.00 N ATOM 1079 CA SER A 70 -4.069 -14.604 1.411 1.00 0.00 C ATOM 1080 C SER A 70 -5.044 -14.878 2.552 1.00 0.00 C ATOM 1081 O SER A 70 -5.729 -15.900 2.565 1.00 0.00 O ATOM 1082 CB SER A 70 -2.658 -15.035 1.816 1.00 0.00 C ATOM 1083 OG SER A 70 -2.539 -16.447 1.823 1.00 0.00 O ATOM 0 H SER A 70 -3.169 -12.813 0.795 1.00 0.00 H new ATOM 0 HA SER A 70 -4.382 -15.182 0.541 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.931 -14.609 1.124 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.424 -14.642 2.806 1.00 0.00 H new ATOM 0 HG SER A 70 -2.052 -16.738 1.024 1.00 0.00 H new ATOM 1089 N ASN A 71 -5.099 -13.958 3.509 1.00 0.00 N ATOM 1090 CA ASN A 71 -5.989 -14.100 4.656 1.00 0.00 C ATOM 1091 C ASN A 71 -7.435 -13.814 4.261 1.00 0.00 C ATOM 1092 O ASN A 71 -7.741 -12.755 3.716 1.00 0.00 O ATOM 1093 CB ASN A 71 -5.560 -13.157 5.781 1.00 0.00 C ATOM 1094 CG ASN A 71 -4.549 -13.793 6.715 1.00 0.00 C ATOM 1095 OD1 ASN A 71 -3.666 -14.534 6.281 1.00 0.00 O ATOM 1096 ND2 ASN A 71 -4.673 -13.506 8.006 1.00 0.00 N ATOM 0 H ASN A 71 -4.538 -13.106 3.513 1.00 0.00 H new ATOM 0 HA ASN A 71 -5.924 -15.129 5.009 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.133 -12.252 5.349 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.438 -12.854 6.352 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.021 -13.905 8.682 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.420 -12.887 8.321 1.00 0.00 H new ATOM 1103 N GLU A 72 -8.319 -14.767 4.542 1.00 0.00 N ATOM 1104 CA GLU A 72 -9.732 -14.617 4.216 1.00 0.00 C ATOM 1105 C GLU A 72 -10.336 -13.424 4.951 1.00 0.00 C ATOM 1106 O GLU A 72 -11.064 -12.624 4.364 1.00 0.00 O ATOM 1107 CB GLU A 72 -10.499 -15.892 4.572 1.00 0.00 C ATOM 1108 CG GLU A 72 -10.408 -16.266 6.042 1.00 0.00 C ATOM 1109 CD GLU A 72 -10.728 -17.727 6.293 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -10.475 -18.552 5.391 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -11.231 -18.044 7.391 1.00 0.00 O ATOM 0 H GLU A 72 -8.081 -15.650 4.994 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.814 -14.440 3.144 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.547 -15.763 4.303 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.115 -16.717 3.971 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.404 -16.050 6.407 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.096 -15.644 6.615 1.00 0.00 H new ATOM 1118 N GLU A 73 -10.029 -13.313 6.240 1.00 0.00 N ATOM 1119 CA GLU A 73 -10.543 -12.219 7.055 1.00 0.00 C ATOM 1120 C GLU A 73 -10.004 -10.878 6.569 1.00 0.00 C ATOM 1121 O GLU A 73 -10.765 -9.998 6.166 1.00 0.00 O ATOM 1122 CB GLU A 73 -10.170 -12.430 8.524 1.00 0.00 C ATOM 1123 CG GLU A 73 -10.999 -13.498 9.217 1.00 0.00 C ATOM 1124 CD GLU A 73 -12.333 -12.972 9.709 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -13.295 -12.954 8.913 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -12.415 -12.579 10.892 1.00 0.00 O ATOM 0 H GLU A 73 -9.428 -13.967 6.741 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.629 -12.209 6.961 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.117 -12.703 8.587 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.288 -11.487 9.059 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.170 -14.324 8.527 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.437 -13.899 10.061 1.00 0.00 H new ATOM 1133 N LYS A 74 -8.684 -10.727 6.610 1.00 0.00 N ATOM 1134 CA LYS A 74 -8.040 -9.494 6.173 1.00 0.00 C ATOM 1135 C LYS A 74 -8.519 -9.094 4.781 1.00 0.00 C ATOM 1136 O LYS A 74 -8.904 -7.947 4.553 1.00 0.00 O ATOM 1137 CB LYS A 74 -6.519 -9.662 6.172 1.00 0.00 C ATOM 1138 CG LYS A 74 -5.924 -9.819 7.561 1.00 0.00 C ATOM 1139 CD LYS A 74 -4.405 -9.774 7.525 1.00 0.00 C ATOM 1140 CE LYS A 74 -3.889 -8.344 7.527 1.00 0.00 C ATOM 1141 NZ LYS A 74 -4.278 -7.616 8.766 1.00 0.00 N ATOM 0 H LYS A 74 -8.039 -11.444 6.942 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.312 -8.703 6.873 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.259 -10.535 5.573 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.066 -8.797 5.688 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.297 -9.026 8.209 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.251 -10.765 7.993 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.004 -10.308 8.387 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.046 -10.290 6.635 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.803 -8.350 7.435 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.280 -7.816 6.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.592 -6.857 8.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.225 -7.204 8.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.289 -8.278 9.568 1.00 0.00 H new ATOM 1155 N ARG A 75 -8.494 -10.046 3.855 1.00 0.00 N ATOM 1156 CA ARG A 75 -8.925 -9.792 2.486 1.00 0.00 C ATOM 1157 C ARG A 75 -10.330 -9.196 2.460 1.00 0.00 C ATOM 1158 O ARG A 75 -10.532 -8.073 1.998 1.00 0.00 O ATOM 1159 CB ARG A 75 -8.894 -11.086 1.670 1.00 0.00 C ATOM 1160 CG ARG A 75 -9.030 -10.865 0.172 1.00 0.00 C ATOM 1161 CD ARG A 75 -8.901 -12.170 -0.597 1.00 0.00 C ATOM 1162 NE ARG A 75 -10.171 -12.887 -0.674 1.00 0.00 N ATOM 1163 CZ ARG A 75 -11.130 -12.592 -1.545 1.00 0.00 C ATOM 1164 NH1 ARG A 75 -10.964 -11.599 -2.408 1.00 0.00 N ATOM 1165 NH2 ARG A 75 -12.258 -13.290 -1.554 1.00 0.00 N ATOM 0 H ARG A 75 -8.180 -11.001 4.028 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.235 -9.074 2.042 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -7.958 -11.608 1.868 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.700 -11.738 2.007 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.996 -10.408 -0.043 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.265 -10.166 -0.165 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.540 -11.963 -1.604 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.156 -12.803 -0.115 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.330 -13.656 -0.024 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.098 -11.059 -2.404 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.702 -11.375 -3.076 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.390 -14.054 -0.892 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -12.993 -13.062 -2.223 1.00 0.00 H new ATOM 1179 N THR A 76 -11.299 -9.957 2.960 1.00 0.00 N ATOM 1180 CA THR A 76 -12.684 -9.505 2.994 1.00 0.00 C ATOM 1181 C THR A 76 -12.802 -8.141 3.664 1.00 0.00 C ATOM 1182 O THR A 76 -13.418 -7.224 3.122 1.00 0.00 O ATOM 1183 CB THR A 76 -13.585 -10.510 3.738 1.00 0.00 C ATOM 1184 OG1 THR A 76 -13.435 -11.816 3.170 1.00 0.00 O ATOM 1185 CG2 THR A 76 -15.043 -10.084 3.667 1.00 0.00 C ATOM 0 H THR A 76 -11.150 -10.889 3.347 1.00 0.00 H new ATOM 0 HA THR A 76 -13.016 -9.427 1.959 1.00 0.00 H new ATOM 0 HB THR A 76 -13.281 -10.533 4.784 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.615 -12.229 3.512 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.660 -10.808 4.199 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.158 -9.102 4.127 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.358 -10.036 2.624 1.00 0.00 H new