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= 0.178 USER MOD Set 1.2: A 70 SER OG : rot 99:sc= 1.41 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= -0.517 K(o=-0.52,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0143) 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+ -128:sc= -0.105 (180deg=-0.437) USER MOD Single : A 46 HIS : no HD1:sc= -3.39! C(o=-3.4!,f=-8.9!) USER MOD Single : A 49 LYS NZ :NH3+ 159:sc= -0.0684 (180deg=-0.433) USER MOD Single : A 50 ASN : amide:sc= -3.22 K(o=-3.2,f=-1.8) 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 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.959 K(o=-0.96,f=-3.1!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 91:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 191 N ASP A 16 -0.716 2.833 3.281 1.00 0.00 N ATOM 192 CA ASP A 16 0.714 2.992 3.041 1.00 0.00 C ATOM 193 C ASP A 16 1.127 2.308 1.742 1.00 0.00 C ATOM 194 O ASP A 16 1.740 2.924 0.871 1.00 0.00 O ATOM 195 CB ASP A 16 1.516 2.421 4.211 1.00 0.00 C ATOM 196 CG ASP A 16 1.441 3.295 5.447 1.00 0.00 C ATOM 197 OD1 ASP A 16 0.354 3.847 5.718 1.00 0.00 O ATOM 198 OD2 ASP A 16 2.469 3.427 6.144 1.00 0.00 O ATOM 0 HA ASP A 16 0.926 4.058 2.952 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.144 1.425 4.451 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.558 2.308 3.912 1.00 0.00 H new ATOM 203 N PHE A 17 0.788 1.029 1.620 1.00 0.00 N ATOM 204 CA PHE A 17 1.125 0.259 0.428 1.00 0.00 C ATOM 205 C PHE A 17 -0.039 -0.636 0.011 1.00 0.00 C ATOM 206 O PHE A 17 -0.760 -1.168 0.855 1.00 0.00 O ATOM 207 CB PHE A 17 2.372 -0.591 0.680 1.00 0.00 C ATOM 208 CG PHE A 17 2.122 -1.772 1.574 1.00 0.00 C ATOM 209 CD1 PHE A 17 1.416 -2.870 1.112 1.00 0.00 C ATOM 210 CD2 PHE A 17 2.594 -1.783 2.877 1.00 0.00 C ATOM 211 CE1 PHE A 17 1.183 -3.958 1.933 1.00 0.00 C ATOM 212 CE2 PHE A 17 2.365 -2.868 3.703 1.00 0.00 C ATOM 213 CZ PHE A 17 1.660 -3.957 3.230 1.00 0.00 C ATOM 0 H PHE A 17 0.280 0.504 2.332 1.00 0.00 H new ATOM 0 HA PHE A 17 1.329 0.960 -0.381 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.760 -0.944 -0.275 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.145 0.035 1.126 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.043 -2.877 0.098 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.147 -0.934 3.252 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.629 -4.807 1.561 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.737 -2.864 4.717 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.482 -4.807 3.873 1.00 0.00 H new ATOM 223 N ASP A 18 -0.215 -0.797 -1.296 1.00 0.00 N ATOM 224 CA ASP A 18 -1.290 -1.627 -1.826 1.00 0.00 C ATOM 225 C ASP A 18 -0.829 -3.072 -1.992 1.00 0.00 C ATOM 226 O ASP A 18 0.285 -3.346 -2.439 1.00 0.00 O ATOM 227 CB ASP A 18 -1.774 -1.075 -3.168 1.00 0.00 C ATOM 228 CG ASP A 18 -3.237 -1.380 -3.425 1.00 0.00 C ATOM 229 OD1 ASP A 18 -3.542 -2.518 -3.839 1.00 0.00 O ATOM 230 OD2 ASP A 18 -4.076 -0.481 -3.211 1.00 0.00 O ATOM 0 H ASP A 18 0.373 -0.364 -2.008 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.116 -1.608 -1.115 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.621 0.004 -3.190 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.171 -1.499 -3.971 1.00 0.00 H new ATOM 235 N PRO A 19 -1.705 -4.018 -1.624 1.00 0.00 N ATOM 236 CA PRO A 19 -1.410 -5.451 -1.723 1.00 0.00 C ATOM 237 C PRO A 19 -1.348 -5.932 -3.169 1.00 0.00 C ATOM 238 O PRO A 19 -0.525 -6.779 -3.516 1.00 0.00 O ATOM 239 CB PRO A 19 -2.584 -6.106 -0.991 1.00 0.00 C ATOM 240 CG PRO A 19 -3.696 -5.121 -1.102 1.00 0.00 C ATOM 241 CD PRO A 19 -3.050 -3.763 -1.084 1.00 0.00 C ATOM 0 HA PRO A 19 -0.436 -5.697 -1.300 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.852 -7.059 -1.446 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.337 -6.309 0.051 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.261 -5.272 -2.022 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.398 -5.230 -0.275 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.600 -3.048 -1.696 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.007 -3.352 -0.075 1.00 0.00 H new ATOM 249 N TYR A 20 -2.222 -5.386 -4.006 1.00 0.00 N ATOM 250 CA TYR A 20 -2.268 -5.761 -5.415 1.00 0.00 C ATOM 251 C TYR A 20 -1.039 -5.246 -6.156 1.00 0.00 C ATOM 252 O TYR A 20 -0.499 -5.922 -7.032 1.00 0.00 O ATOM 253 CB TYR A 20 -3.538 -5.215 -6.069 1.00 0.00 C ATOM 254 CG TYR A 20 -4.739 -6.120 -5.910 1.00 0.00 C ATOM 255 CD1 TYR A 20 -5.181 -6.505 -4.650 1.00 0.00 C ATOM 256 CD2 TYR A 20 -5.430 -6.591 -7.019 1.00 0.00 C ATOM 257 CE1 TYR A 20 -6.277 -7.333 -4.500 1.00 0.00 C ATOM 258 CE2 TYR A 20 -6.528 -7.418 -6.878 1.00 0.00 C ATOM 259 CZ TYR A 20 -6.947 -7.786 -5.617 1.00 0.00 C ATOM 260 OH TYR A 20 -8.039 -8.611 -5.472 1.00 0.00 O ATOM 0 H TYR A 20 -2.908 -4.682 -3.734 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.276 -6.849 -5.475 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.768 -4.241 -5.638 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.351 -5.057 -7.131 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.659 -6.151 -3.773 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.104 -6.306 -8.008 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.607 -7.624 -3.514 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -7.055 -7.774 -7.751 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.397 -8.839 -6.356 1.00 0.00 H new ATOM 270 N ARG A 21 -0.601 -4.043 -5.798 1.00 0.00 N ATOM 271 CA ARG A 21 0.565 -3.435 -6.428 1.00 0.00 C ATOM 272 C ARG A 21 1.842 -4.170 -6.033 1.00 0.00 C ATOM 273 O ARG A 21 2.672 -4.494 -6.883 1.00 0.00 O ATOM 274 CB ARG A 21 0.671 -1.960 -6.038 1.00 0.00 C ATOM 275 CG ARG A 21 -0.367 -1.076 -6.710 1.00 0.00 C ATOM 276 CD ARG A 21 0.077 -0.655 -8.102 1.00 0.00 C ATOM 277 NE ARG A 21 0.891 0.557 -8.074 1.00 0.00 N ATOM 278 CZ ARG A 21 0.401 1.767 -7.826 1.00 0.00 C ATOM 279 NH1 ARG A 21 -0.894 1.924 -7.585 1.00 0.00 N ATOM 280 NH2 ARG A 21 1.205 2.821 -7.818 1.00 0.00 N ATOM 0 H ARG A 21 -1.036 -3.470 -5.075 1.00 0.00 H new ATOM 0 HA ARG A 21 0.443 -3.510 -7.509 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.567 -1.870 -4.957 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.666 -1.596 -6.294 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.315 -1.611 -6.775 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.542 -0.190 -6.099 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.646 -1.463 -8.561 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.800 -0.488 -8.727 1.00 0.00 H new ATOM 0 HE ARG A 21 1.891 0.470 -8.255 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.515 1.115 -7.590 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.268 2.854 -7.395 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.201 2.704 -8.002 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.827 3.749 -7.627 1.00 0.00 H new ATOM 294 N VAL A 22 1.993 -4.429 -4.739 1.00 0.00 N ATOM 295 CA VAL A 22 3.169 -5.126 -4.231 1.00 0.00 C ATOM 296 C VAL A 22 3.388 -6.444 -4.967 1.00 0.00 C ATOM 297 O VAL A 22 4.448 -6.673 -5.550 1.00 0.00 O ATOM 298 CB VAL A 22 3.046 -5.408 -2.721 1.00 0.00 C ATOM 299 CG1 VAL A 22 4.252 -6.190 -2.224 1.00 0.00 C ATOM 300 CG2 VAL A 22 2.886 -4.108 -1.948 1.00 0.00 C ATOM 0 H VAL A 22 1.316 -4.167 -4.023 1.00 0.00 H new ATOM 0 HA VAL A 22 4.023 -4.471 -4.402 1.00 0.00 H new ATOM 0 HB VAL A 22 2.156 -6.015 -2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.148 -6.380 -1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.315 -7.139 -2.757 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.159 -5.613 -2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.801 -4.326 -0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.755 -3.473 -2.120 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.987 -3.592 -2.286 1.00 0.00 H new ATOM 310 N LEU A 23 2.378 -7.307 -4.936 1.00 0.00 N ATOM 311 CA LEU A 23 2.459 -8.602 -5.601 1.00 0.00 C ATOM 312 C LEU A 23 2.639 -8.432 -7.105 1.00 0.00 C ATOM 313 O LEU A 23 3.221 -9.287 -7.772 1.00 0.00 O ATOM 314 CB LEU A 23 1.199 -9.423 -5.316 1.00 0.00 C ATOM 315 CG LEU A 23 1.075 -9.995 -3.903 1.00 0.00 C ATOM 316 CD1 LEU A 23 -0.327 -10.533 -3.667 1.00 0.00 C ATOM 317 CD2 LEU A 23 2.112 -11.085 -3.677 1.00 0.00 C ATOM 0 H LEU A 23 1.494 -7.133 -4.458 1.00 0.00 H new ATOM 0 HA LEU A 23 3.327 -9.131 -5.208 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.329 -8.795 -5.510 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.160 -10.250 -6.026 1.00 0.00 H new ATOM 0 HG LEU A 23 1.259 -9.193 -3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.397 -10.936 -2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.051 -9.727 -3.787 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.540 -11.322 -4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.009 -11.481 -2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.959 -11.888 -4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.111 -10.668 -3.804 1.00 0.00 H new ATOM 329 N GLY A 24 2.138 -7.320 -7.635 1.00 0.00 N ATOM 330 CA GLY A 24 2.256 -7.056 -9.057 1.00 0.00 C ATOM 331 C GLY A 24 1.146 -7.705 -9.861 1.00 0.00 C ATOM 332 O GLY A 24 1.398 -8.316 -10.900 1.00 0.00 O ATOM 0 H GLY A 24 1.652 -6.597 -7.104 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.241 -5.979 -9.226 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.219 -7.421 -9.413 1.00 0.00 H new ATOM 336 N VAL A 25 -0.086 -7.574 -9.379 1.00 0.00 N ATOM 337 CA VAL A 25 -1.238 -8.152 -10.060 1.00 0.00 C ATOM 338 C VAL A 25 -2.268 -7.082 -10.402 1.00 0.00 C ATOM 339 O VAL A 25 -2.102 -5.912 -10.055 1.00 0.00 O ATOM 340 CB VAL A 25 -1.910 -9.239 -9.200 1.00 0.00 C ATOM 341 CG1 VAL A 25 -1.202 -10.574 -9.378 1.00 0.00 C ATOM 342 CG2 VAL A 25 -1.926 -8.826 -7.736 1.00 0.00 C ATOM 0 H VAL A 25 -0.312 -7.073 -8.520 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.868 -8.604 -10.981 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.942 -9.355 -9.532 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.690 -11.330 -8.763 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.248 -10.873 -10.425 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.160 -10.477 -9.074 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.404 -9.606 -7.143 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.903 -8.681 -7.388 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.482 -7.895 -7.627 1.00 0.00 H new ATOM 352 N SER A 26 -3.333 -7.490 -11.085 1.00 0.00 N ATOM 353 CA SER A 26 -4.390 -6.565 -11.478 1.00 0.00 C ATOM 354 C SER A 26 -5.682 -6.865 -10.724 1.00 0.00 C ATOM 355 O SER A 26 -5.748 -7.806 -9.932 1.00 0.00 O ATOM 356 CB SER A 26 -4.635 -6.648 -12.986 1.00 0.00 C ATOM 357 OG SER A 26 -5.080 -5.405 -13.499 1.00 0.00 O ATOM 0 H SER A 26 -3.487 -8.455 -11.378 1.00 0.00 H new ATOM 0 HA SER A 26 -4.068 -5.555 -11.225 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.716 -6.945 -13.491 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.377 -7.418 -13.195 1.00 0.00 H new ATOM 0 HG SER A 26 -5.228 -5.484 -14.465 1.00 0.00 H new ATOM 363 N ARG A 27 -6.708 -6.059 -10.977 1.00 0.00 N ATOM 364 CA ARG A 27 -7.998 -6.236 -10.322 1.00 0.00 C ATOM 365 C ARG A 27 -8.625 -7.573 -10.707 1.00 0.00 C ATOM 366 O ARG A 27 -9.365 -8.173 -9.927 1.00 0.00 O ATOM 367 CB ARG A 27 -8.944 -5.092 -10.693 1.00 0.00 C ATOM 368 CG ARG A 27 -8.317 -3.714 -10.553 1.00 0.00 C ATOM 369 CD ARG A 27 -8.905 -2.731 -11.553 1.00 0.00 C ATOM 370 NE ARG A 27 -8.542 -1.351 -11.241 1.00 0.00 N ATOM 371 CZ ARG A 27 -8.511 -0.377 -12.144 1.00 0.00 C ATOM 372 NH1 ARG A 27 -8.821 -0.631 -13.408 1.00 0.00 N ATOM 373 NH2 ARG A 27 -8.171 0.854 -11.784 1.00 0.00 N ATOM 0 H ARG A 27 -6.671 -5.277 -11.631 1.00 0.00 H new ATOM 0 HA ARG A 27 -7.834 -6.228 -9.245 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -9.278 -5.227 -11.722 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -9.830 -5.145 -10.060 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.474 -3.343 -9.540 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.240 -3.786 -10.702 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.556 -2.980 -12.555 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.991 -2.827 -11.561 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.299 -1.123 -10.277 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.084 -1.576 -13.689 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.797 0.118 -14.100 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.933 1.054 -10.813 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -8.148 1.600 -12.479 1.00 0.00 H new ATOM 387 N THR A 28 -8.323 -8.035 -11.917 1.00 0.00 N ATOM 388 CA THR A 28 -8.857 -9.299 -12.407 1.00 0.00 C ATOM 389 C THR A 28 -8.198 -10.482 -11.708 1.00 0.00 C ATOM 390 O THR A 28 -8.687 -11.609 -11.781 1.00 0.00 O ATOM 391 CB THR A 28 -8.658 -9.441 -13.928 1.00 0.00 C ATOM 392 OG1 THR A 28 -7.265 -9.366 -14.249 1.00 0.00 O ATOM 393 CG2 THR A 28 -9.415 -8.354 -14.677 1.00 0.00 C ATOM 0 H THR A 28 -7.711 -7.552 -12.575 1.00 0.00 H new ATOM 0 HA THR A 28 -9.924 -9.298 -12.186 1.00 0.00 H new ATOM 0 HB THR A 28 -9.049 -10.411 -14.234 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.147 -9.459 -15.217 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.259 -8.475 -15.749 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.479 -8.432 -14.454 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.050 -7.375 -14.365 1.00 0.00 H new ATOM 401 N ALA A 29 -7.087 -10.219 -11.029 1.00 0.00 N ATOM 402 CA ALA A 29 -6.363 -11.262 -10.313 1.00 0.00 C ATOM 403 C ALA A 29 -7.268 -11.971 -9.312 1.00 0.00 C ATOM 404 O ALA A 29 -7.900 -11.331 -8.471 1.00 0.00 O ATOM 405 CB ALA A 29 -5.150 -10.673 -9.607 1.00 0.00 C ATOM 0 H ALA A 29 -6.668 -9.292 -10.960 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.024 -11.999 -11.041 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.619 -11.463 -9.076 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.486 -10.220 -10.343 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.476 -9.914 -8.896 1.00 0.00 H new ATOM 411 N SER A 30 -7.327 -13.295 -9.408 1.00 0.00 N ATOM 412 CA SER A 30 -8.159 -14.090 -8.513 1.00 0.00 C ATOM 413 C SER A 30 -7.301 -14.851 -7.507 1.00 0.00 C ATOM 414 O SER A 30 -6.116 -15.089 -7.740 1.00 0.00 O ATOM 415 CB SER A 30 -9.015 -15.072 -9.316 1.00 0.00 C ATOM 416 OG SER A 30 -10.213 -15.385 -8.627 1.00 0.00 O ATOM 0 H SER A 30 -6.808 -13.840 -10.097 1.00 0.00 H new ATOM 0 HA SER A 30 -8.813 -13.411 -7.966 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.253 -14.641 -10.289 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.449 -15.985 -9.502 1.00 0.00 H new ATOM 0 HG SER A 30 -10.743 -16.013 -9.161 1.00 0.00 H new ATOM 422 N GLN A 31 -7.909 -15.230 -6.387 1.00 0.00 N ATOM 423 CA GLN A 31 -7.202 -15.963 -5.344 1.00 0.00 C ATOM 424 C GLN A 31 -6.159 -16.898 -5.948 1.00 0.00 C ATOM 425 O GLN A 31 -5.097 -17.118 -5.367 1.00 0.00 O ATOM 426 CB GLN A 31 -8.190 -16.763 -4.494 1.00 0.00 C ATOM 427 CG GLN A 31 -9.067 -15.897 -3.605 1.00 0.00 C ATOM 428 CD GLN A 31 -8.442 -15.630 -2.249 1.00 0.00 C ATOM 429 OE1 GLN A 31 -8.862 -16.194 -1.238 1.00 0.00 O ATOM 430 NE2 GLN A 31 -7.433 -14.768 -2.222 1.00 0.00 N ATOM 0 H GLN A 31 -8.890 -15.041 -6.179 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.691 -15.239 -4.709 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.826 -17.355 -5.152 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.635 -17.464 -3.871 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.259 -14.948 -4.105 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.031 -16.386 -3.466 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.118 -14.324 -3.085 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.972 -14.549 -1.339 1.00 0.00 H new ATOM 439 N ALA A 32 -6.471 -17.448 -7.118 1.00 0.00 N ATOM 440 CA ALA A 32 -5.560 -18.358 -7.801 1.00 0.00 C ATOM 441 C ALA A 32 -4.342 -17.615 -8.339 1.00 0.00 C ATOM 442 O ALA A 32 -3.204 -17.941 -7.998 1.00 0.00 O ATOM 443 CB ALA A 32 -6.283 -19.077 -8.931 1.00 0.00 C ATOM 0 H ALA A 32 -7.347 -17.279 -7.612 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.212 -19.096 -7.078 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.591 -19.754 -9.433 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.118 -19.648 -8.524 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.658 -18.345 -9.646 1.00 0.00 H new ATOM 449 N ASP A 33 -4.587 -16.616 -9.180 1.00 0.00 N ATOM 450 CA ASP A 33 -3.509 -15.827 -9.764 1.00 0.00 C ATOM 451 C ASP A 33 -2.649 -15.193 -8.676 1.00 0.00 C ATOM 452 O ASP A 33 -1.421 -15.182 -8.769 1.00 0.00 O ATOM 453 CB ASP A 33 -4.081 -14.741 -10.677 1.00 0.00 C ATOM 454 CG ASP A 33 -4.908 -15.314 -11.811 1.00 0.00 C ATOM 455 OD1 ASP A 33 -5.763 -16.184 -11.542 1.00 0.00 O ATOM 456 OD2 ASP A 33 -4.700 -14.892 -12.968 1.00 0.00 O ATOM 0 H ASP A 33 -5.523 -16.334 -9.472 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.882 -16.495 -10.355 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.698 -14.063 -10.088 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.264 -14.150 -11.090 1.00 0.00 H new ATOM 461 N ILE A 34 -3.301 -14.665 -7.645 1.00 0.00 N ATOM 462 CA ILE A 34 -2.595 -14.029 -6.540 1.00 0.00 C ATOM 463 C ILE A 34 -1.590 -14.985 -5.907 1.00 0.00 C ATOM 464 O ILE A 34 -0.395 -14.697 -5.845 1.00 0.00 O ATOM 465 CB ILE A 34 -3.572 -13.538 -5.456 1.00 0.00 C ATOM 466 CG1 ILE A 34 -4.632 -12.621 -6.071 1.00 0.00 C ATOM 467 CG2 ILE A 34 -2.817 -12.815 -4.350 1.00 0.00 C ATOM 468 CD1 ILE A 34 -5.830 -12.396 -5.176 1.00 0.00 C ATOM 0 H ILE A 34 -4.317 -14.665 -7.552 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.066 -13.172 -6.956 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.074 -14.403 -5.022 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.177 -11.658 -6.304 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.969 -13.051 -7.014 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.521 -12.474 -3.591 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.096 -13.496 -3.896 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.292 -11.957 -4.769 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.539 -11.737 -5.676 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.310 -13.351 -4.963 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.505 -11.937 -4.242 1.00 0.00 H new ATOM 480 N LYS A 35 -2.083 -16.127 -5.438 1.00 0.00 N ATOM 481 CA LYS A 35 -1.229 -17.130 -4.812 1.00 0.00 C ATOM 482 C LYS A 35 -0.019 -17.438 -5.688 1.00 0.00 C ATOM 483 O LYS A 35 1.102 -17.565 -5.195 1.00 0.00 O ATOM 484 CB LYS A 35 -2.021 -18.412 -4.549 1.00 0.00 C ATOM 485 CG LYS A 35 -1.271 -19.429 -3.706 1.00 0.00 C ATOM 486 CD LYS A 35 -2.217 -20.439 -3.078 1.00 0.00 C ATOM 487 CE LYS A 35 -1.459 -21.498 -2.292 1.00 0.00 C ATOM 488 NZ LYS A 35 -2.313 -22.678 -1.985 1.00 0.00 N ATOM 0 H LYS A 35 -3.070 -16.381 -5.480 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.875 -16.728 -3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.955 -18.156 -4.049 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.285 -18.868 -5.503 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.541 -19.949 -4.326 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.715 -18.914 -2.923 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.915 -19.924 -2.418 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.810 -20.918 -3.857 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.587 -21.819 -2.862 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.090 -21.065 -1.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.760 -23.377 -1.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.132 -22.376 -1.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.645 -23.107 -2.873 1.00 0.00 H new ATOM 502 N LYS A 36 -0.253 -17.557 -6.991 1.00 0.00 N ATOM 503 CA LYS A 36 0.818 -17.848 -7.938 1.00 0.00 C ATOM 504 C LYS A 36 1.777 -16.668 -8.053 1.00 0.00 C ATOM 505 O LYS A 36 2.991 -16.850 -8.141 1.00 0.00 O ATOM 506 CB LYS A 36 0.234 -18.180 -9.313 1.00 0.00 C ATOM 507 CG LYS A 36 1.217 -17.985 -10.454 1.00 0.00 C ATOM 508 CD LYS A 36 0.578 -18.289 -11.799 1.00 0.00 C ATOM 509 CE LYS A 36 1.405 -17.732 -12.947 1.00 0.00 C ATOM 510 NZ LYS A 36 1.230 -16.260 -13.094 1.00 0.00 N ATOM 0 H LYS A 36 -1.175 -17.456 -7.415 1.00 0.00 H new ATOM 0 HA LYS A 36 1.373 -18.710 -7.568 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.109 -19.215 -9.313 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.641 -17.554 -9.488 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.584 -16.959 -10.448 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.081 -18.633 -10.306 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.470 -19.367 -11.916 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.425 -17.863 -11.831 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.458 -17.957 -12.779 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.117 -18.226 -13.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.714 -15.937 -13.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.217 -16.036 -13.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.637 -15.778 -12.267 1.00 0.00 H new ATOM 524 N ALA A 37 1.225 -15.459 -8.049 1.00 0.00 N ATOM 525 CA ALA A 37 2.033 -14.250 -8.150 1.00 0.00 C ATOM 526 C ALA A 37 2.887 -14.055 -6.902 1.00 0.00 C ATOM 527 O ALA A 37 4.022 -13.584 -6.981 1.00 0.00 O ATOM 528 CB ALA A 37 1.142 -13.037 -8.377 1.00 0.00 C ATOM 0 H ALA A 37 0.222 -15.291 -7.977 1.00 0.00 H new ATOM 0 HA ALA A 37 2.702 -14.360 -9.003 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.759 -12.141 -8.450 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.579 -13.167 -9.301 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.449 -12.933 -7.542 1.00 0.00 H new ATOM 534 N TYR A 38 2.334 -14.418 -5.750 1.00 0.00 N ATOM 535 CA TYR A 38 3.044 -14.280 -4.484 1.00 0.00 C ATOM 536 C TYR A 38 4.261 -15.199 -4.438 1.00 0.00 C ATOM 537 O TYR A 38 5.396 -14.740 -4.306 1.00 0.00 O ATOM 538 CB TYR A 38 2.110 -14.594 -3.314 1.00 0.00 C ATOM 539 CG TYR A 38 2.823 -15.148 -2.101 1.00 0.00 C ATOM 540 CD1 TYR A 38 3.382 -14.300 -1.153 1.00 0.00 C ATOM 541 CD2 TYR A 38 2.937 -16.518 -1.904 1.00 0.00 C ATOM 542 CE1 TYR A 38 4.035 -14.802 -0.044 1.00 0.00 C ATOM 543 CE2 TYR A 38 3.587 -17.029 -0.797 1.00 0.00 C ATOM 544 CZ TYR A 38 4.135 -16.166 0.130 1.00 0.00 C ATOM 545 OH TYR A 38 4.784 -16.670 1.234 1.00 0.00 O ATOM 0 H TYR A 38 1.396 -14.810 -5.667 1.00 0.00 H new ATOM 0 HA TYR A 38 3.387 -13.249 -4.400 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.580 -13.685 -3.030 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.359 -15.312 -3.643 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.305 -13.231 -1.285 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.510 -17.196 -2.629 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.465 -14.129 0.683 1.00 0.00 H new ATOM 0 HE2 TYR A 38 3.666 -18.097 -0.658 1.00 0.00 H new ATOM 0 HH TYR A 38 4.764 -17.649 1.206 1.00 0.00 H new ATOM 555 N LYS A 39 4.016 -16.500 -4.550 1.00 0.00 N ATOM 556 CA LYS A 39 5.089 -17.486 -4.524 1.00 0.00 C ATOM 557 C LYS A 39 6.256 -17.044 -5.402 1.00 0.00 C ATOM 558 O LYS A 39 7.419 -17.207 -5.035 1.00 0.00 O ATOM 559 CB LYS A 39 4.571 -18.847 -4.994 1.00 0.00 C ATOM 560 CG LYS A 39 4.014 -19.706 -3.872 1.00 0.00 C ATOM 561 CD LYS A 39 2.915 -20.630 -4.369 1.00 0.00 C ATOM 562 CE LYS A 39 2.730 -21.824 -3.446 1.00 0.00 C ATOM 563 NZ LYS A 39 1.972 -22.923 -4.106 1.00 0.00 N ATOM 0 H LYS A 39 3.082 -16.896 -4.660 1.00 0.00 H new ATOM 0 HA LYS A 39 5.443 -17.574 -3.497 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.793 -18.692 -5.742 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.382 -19.386 -5.484 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.817 -20.298 -3.433 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.622 -19.065 -3.082 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.979 -20.077 -4.442 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.158 -20.979 -5.373 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.706 -22.194 -3.131 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.203 -21.509 -2.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.867 -23.718 -3.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.031 -22.578 -4.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.488 -23.242 -4.951 1.00 0.00 H new ATOM 577 N LYS A 40 5.936 -16.482 -6.563 1.00 0.00 N ATOM 578 CA LYS A 40 6.957 -16.013 -7.493 1.00 0.00 C ATOM 579 C LYS A 40 7.863 -14.980 -6.830 1.00 0.00 C ATOM 580 O LYS A 40 9.059 -15.213 -6.649 1.00 0.00 O ATOM 581 CB LYS A 40 6.303 -15.411 -8.738 1.00 0.00 C ATOM 582 CG LYS A 40 7.280 -14.682 -9.645 1.00 0.00 C ATOM 583 CD LYS A 40 8.103 -15.654 -10.473 1.00 0.00 C ATOM 584 CE LYS A 40 8.788 -14.955 -11.637 1.00 0.00 C ATOM 585 NZ LYS A 40 9.851 -14.020 -11.175 1.00 0.00 N ATOM 0 H LYS A 40 4.978 -16.340 -6.882 1.00 0.00 H new ATOM 0 HA LYS A 40 7.566 -16.868 -7.788 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.818 -16.206 -9.304 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.521 -14.718 -8.428 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.732 -14.012 -10.307 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.944 -14.062 -9.043 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.853 -16.128 -9.840 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.458 -16.447 -10.852 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.224 -15.700 -12.302 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.047 -14.405 -12.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.700 -13.084 -11.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.814 -13.937 -10.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.782 -14.385 -11.460 1.00 0.00 H new ATOM 599 N LEU A 41 7.286 -13.839 -6.470 1.00 0.00 N ATOM 600 CA LEU A 41 8.042 -12.770 -5.826 1.00 0.00 C ATOM 601 C LEU A 41 8.807 -13.296 -4.616 1.00 0.00 C ATOM 602 O LEU A 41 9.943 -12.896 -4.365 1.00 0.00 O ATOM 603 CB LEU A 41 7.102 -11.641 -5.398 1.00 0.00 C ATOM 604 CG LEU A 41 6.837 -10.556 -6.443 1.00 0.00 C ATOM 605 CD1 LEU A 41 5.573 -9.783 -6.101 1.00 0.00 C ATOM 606 CD2 LEU A 41 8.028 -9.615 -6.548 1.00 0.00 C ATOM 0 H LEU A 41 6.298 -13.630 -6.613 1.00 0.00 H new ATOM 0 HA LEU A 41 8.762 -12.382 -6.547 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.147 -12.080 -5.109 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.517 -11.167 -4.508 1.00 0.00 H new ATOM 0 HG LEU A 41 6.693 -11.037 -7.410 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.401 -9.015 -6.855 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.724 -10.466 -6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.687 -9.313 -5.124 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.822 -8.849 -7.296 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.203 -9.141 -5.582 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.913 -10.180 -6.841 1.00 0.00 H new ATOM 618 N ALA A 42 8.176 -14.198 -3.870 1.00 0.00 N ATOM 619 CA ALA A 42 8.799 -14.782 -2.689 1.00 0.00 C ATOM 620 C ALA A 42 10.003 -15.638 -3.070 1.00 0.00 C ATOM 621 O ALA A 42 11.005 -15.667 -2.356 1.00 0.00 O ATOM 622 CB ALA A 42 7.785 -15.610 -1.913 1.00 0.00 C ATOM 0 H ALA A 42 7.234 -14.539 -4.063 1.00 0.00 H new ATOM 0 HA ALA A 42 9.151 -13.969 -2.054 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.264 -16.040 -1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.958 -14.973 -1.601 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.406 -16.411 -2.548 1.00 0.00 H new ATOM 628 N ARG A 43 9.896 -16.332 -4.198 1.00 0.00 N ATOM 629 CA ARG A 43 10.976 -17.190 -4.672 1.00 0.00 C ATOM 630 C ARG A 43 12.164 -16.357 -5.145 1.00 0.00 C ATOM 631 O ARG A 43 13.313 -16.659 -4.822 1.00 0.00 O ATOM 632 CB ARG A 43 10.483 -18.086 -5.809 1.00 0.00 C ATOM 633 CG ARG A 43 9.776 -19.344 -5.331 1.00 0.00 C ATOM 634 CD ARG A 43 9.361 -20.227 -6.497 1.00 0.00 C ATOM 635 NE ARG A 43 10.425 -21.146 -6.893 1.00 0.00 N ATOM 636 CZ ARG A 43 10.483 -21.735 -8.083 1.00 0.00 C ATOM 637 NH1 ARG A 43 9.543 -21.501 -8.988 1.00 0.00 N ATOM 638 NH2 ARG A 43 11.483 -22.559 -8.369 1.00 0.00 N ATOM 0 H ARG A 43 9.073 -16.317 -4.801 1.00 0.00 H new ATOM 0 HA ARG A 43 11.301 -17.816 -3.841 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.803 -17.515 -6.441 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.332 -18.371 -6.430 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.435 -19.903 -4.667 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.896 -19.069 -4.750 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.473 -20.797 -6.222 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.088 -19.601 -7.346 1.00 0.00 H new ATOM 0 HE ARG A 43 11.164 -21.347 -6.219 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.773 -20.868 -8.772 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.590 -21.954 -9.901 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.208 -22.741 -7.675 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.526 -23.010 -9.283 1.00 0.00 H new ATOM 652 N GLU A 44 11.878 -15.309 -5.911 1.00 0.00 N ATOM 653 CA GLU A 44 12.923 -14.434 -6.429 1.00 0.00 C ATOM 654 C GLU A 44 13.537 -13.598 -5.310 1.00 0.00 C ATOM 655 O GLU A 44 14.751 -13.609 -5.107 1.00 0.00 O ATOM 656 CB GLU A 44 12.359 -13.516 -7.515 1.00 0.00 C ATOM 657 CG GLU A 44 12.402 -14.123 -8.907 1.00 0.00 C ATOM 658 CD GLU A 44 13.817 -14.324 -9.414 1.00 0.00 C ATOM 659 OE1 GLU A 44 14.470 -13.318 -9.762 1.00 0.00 O ATOM 660 OE2 GLU A 44 14.272 -15.486 -9.462 1.00 0.00 O ATOM 0 H GLU A 44 10.932 -15.045 -6.186 1.00 0.00 H new ATOM 0 HA GLU A 44 13.703 -15.060 -6.862 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.327 -13.266 -7.268 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.921 -12.582 -7.517 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.884 -15.082 -8.897 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.861 -13.476 -9.598 1.00 0.00 H new ATOM 667 N TRP A 45 12.690 -12.875 -4.587 1.00 0.00 N ATOM 668 CA TRP A 45 13.148 -12.032 -3.488 1.00 0.00 C ATOM 669 C TRP A 45 13.373 -12.858 -2.226 1.00 0.00 C ATOM 670 O TRP A 45 13.532 -12.311 -1.135 1.00 0.00 O ATOM 671 CB TRP A 45 12.133 -10.922 -3.212 1.00 0.00 C ATOM 672 CG TRP A 45 11.921 -10.007 -4.380 1.00 0.00 C ATOM 673 CD1 TRP A 45 11.033 -10.177 -5.403 1.00 0.00 C ATOM 674 CD2 TRP A 45 12.612 -8.781 -4.644 1.00 0.00 C ATOM 675 NE1 TRP A 45 11.130 -9.130 -6.288 1.00 0.00 N ATOM 676 CE2 TRP A 45 12.091 -8.260 -5.845 1.00 0.00 C ATOM 677 CE3 TRP A 45 13.618 -8.072 -3.983 1.00 0.00 C ATOM 678 CZ2 TRP A 45 12.544 -7.065 -6.396 1.00 0.00 C ATOM 679 CZ3 TRP A 45 14.067 -6.886 -4.531 1.00 0.00 C ATOM 680 CH2 TRP A 45 13.530 -6.391 -5.727 1.00 0.00 C ATOM 0 H TRP A 45 11.682 -12.855 -4.742 1.00 0.00 H new ATOM 0 HA TRP A 45 14.097 -11.582 -3.779 1.00 0.00 H new ATOM 0 HB2 TRP A 45 11.180 -11.372 -2.934 1.00 0.00 H new ATOM 0 HB3 TRP A 45 12.470 -10.336 -2.357 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.354 -11.011 -5.502 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.576 -9.019 -7.137 1.00 0.00 H new ATOM 0 HE3 TRP A 45 14.037 -8.444 -3.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 12.132 -6.683 -7.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 14.845 -6.331 -4.029 1.00 0.00 H new ATOM 0 HH2 TRP A 45 13.901 -5.460 -6.129 1.00 0.00 H new ATOM 691 N HIS A 46 13.386 -14.178 -2.382 1.00 0.00 N ATOM 692 CA HIS A 46 13.593 -15.079 -1.254 1.00 0.00 C ATOM 693 C HIS A 46 14.897 -14.754 -0.531 1.00 0.00 C ATOM 694 O HIS A 46 15.983 -14.796 -1.109 1.00 0.00 O ATOM 695 CB HIS A 46 13.610 -16.532 -1.730 1.00 0.00 C ATOM 696 CG HIS A 46 13.118 -17.505 -0.704 1.00 0.00 C ATOM 697 ND1 HIS A 46 13.392 -17.381 0.642 1.00 0.00 N ATOM 698 CD2 HIS A 46 12.364 -18.622 -0.832 1.00 0.00 C ATOM 699 CE1 HIS A 46 12.829 -18.381 1.297 1.00 0.00 C ATOM 700 NE2 HIS A 46 12.199 -19.148 0.426 1.00 0.00 N ATOM 0 H HIS A 46 13.256 -14.647 -3.278 1.00 0.00 H new ATOM 0 HA HIS A 46 12.767 -14.943 -0.556 1.00 0.00 H new ATOM 0 HB2 HIS A 46 12.995 -16.619 -2.626 1.00 0.00 H new ATOM 0 HB3 HIS A 46 14.627 -16.800 -2.015 1.00 0.00 H new ATOM 0 HD2 HIS A 46 11.966 -19.025 -1.752 1.00 0.00 H new ATOM 0 HE1 HIS A 46 12.876 -18.543 2.364 1.00 0.00 H new ATOM 0 HE2 HIS A 46 11.675 -19.994 0.651 1.00 0.00 H new ATOM 708 N PRO A 47 14.788 -14.421 0.764 1.00 0.00 N ATOM 709 CA PRO A 47 15.948 -14.082 1.594 1.00 0.00 C ATOM 710 C PRO A 47 16.832 -15.292 1.878 1.00 0.00 C ATOM 711 O PRO A 47 18.003 -15.149 2.228 1.00 0.00 O ATOM 712 CB PRO A 47 15.319 -13.564 2.890 1.00 0.00 C ATOM 713 CG PRO A 47 13.979 -14.214 2.945 1.00 0.00 C ATOM 714 CD PRO A 47 13.526 -14.351 1.518 1.00 0.00 C ATOM 0 HA PRO A 47 16.602 -13.361 1.104 1.00 0.00 H new ATOM 0 HB2 PRO A 47 15.924 -13.829 3.757 1.00 0.00 H new ATOM 0 HB3 PRO A 47 15.232 -12.477 2.882 1.00 0.00 H new ATOM 0 HG2 PRO A 47 14.037 -15.188 3.431 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.277 -13.612 3.521 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.921 -15.246 1.373 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.918 -13.502 1.206 1.00 0.00 H new ATOM 722 N ASP A 48 16.263 -16.483 1.724 1.00 0.00 N ATOM 723 CA ASP A 48 17.000 -17.718 1.962 1.00 0.00 C ATOM 724 C ASP A 48 18.047 -17.945 0.875 1.00 0.00 C ATOM 725 O ASP A 48 19.146 -18.427 1.148 1.00 0.00 O ATOM 726 CB ASP A 48 16.040 -18.907 2.018 1.00 0.00 C ATOM 727 CG ASP A 48 15.399 -19.069 3.382 1.00 0.00 C ATOM 728 OD1 ASP A 48 14.561 -18.219 3.748 1.00 0.00 O ATOM 729 OD2 ASP A 48 15.736 -20.046 4.085 1.00 0.00 O ATOM 0 H ASP A 48 15.294 -16.619 1.436 1.00 0.00 H new ATOM 0 HA ASP A 48 17.511 -17.628 2.920 1.00 0.00 H new ATOM 0 HB2 ASP A 48 15.261 -18.777 1.267 1.00 0.00 H new ATOM 0 HB3 ASP A 48 16.580 -19.819 1.763 1.00 0.00 H new ATOM 734 N LYS A 49 17.697 -17.595 -0.358 1.00 0.00 N ATOM 735 CA LYS A 49 18.605 -17.759 -1.487 1.00 0.00 C ATOM 736 C LYS A 49 19.368 -16.468 -1.764 1.00 0.00 C ATOM 737 O LYS A 49 20.501 -16.496 -2.242 1.00 0.00 O ATOM 738 CB LYS A 49 17.828 -18.183 -2.735 1.00 0.00 C ATOM 739 CG LYS A 49 17.386 -19.636 -2.713 1.00 0.00 C ATOM 740 CD LYS A 49 16.279 -19.898 -3.720 1.00 0.00 C ATOM 741 CE LYS A 49 16.837 -20.119 -5.117 1.00 0.00 C ATOM 742 NZ LYS A 49 17.615 -21.386 -5.209 1.00 0.00 N ATOM 0 H LYS A 49 16.790 -17.196 -0.601 1.00 0.00 H new ATOM 0 HA LYS A 49 19.324 -18.537 -1.232 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.949 -17.546 -2.839 1.00 0.00 H new ATOM 0 HB3 LYS A 49 18.450 -18.015 -3.614 1.00 0.00 H new ATOM 0 HG2 LYS A 49 18.238 -20.280 -2.932 1.00 0.00 H new ATOM 0 HG3 LYS A 49 17.039 -19.896 -1.713 1.00 0.00 H new ATOM 0 HD2 LYS A 49 15.706 -20.773 -3.413 1.00 0.00 H new ATOM 0 HD3 LYS A 49 15.589 -19.054 -3.732 1.00 0.00 H new ATOM 0 HE2 LYS A 49 16.018 -20.143 -5.836 1.00 0.00 H new ATOM 0 HE3 LYS A 49 17.476 -19.279 -5.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 17.674 -21.686 -6.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 18.574 -21.233 -4.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 17.141 -22.126 -4.652 1.00 0.00 H new ATOM 756 N ASN A 50 18.739 -15.337 -1.460 1.00 0.00 N ATOM 757 CA ASN A 50 19.360 -14.036 -1.676 1.00 0.00 C ATOM 758 C ASN A 50 20.488 -13.798 -0.676 1.00 0.00 C ATOM 759 O ASN A 50 20.290 -13.897 0.535 1.00 0.00 O ATOM 760 CB ASN A 50 18.316 -12.923 -1.557 1.00 0.00 C ATOM 761 CG ASN A 50 17.649 -12.612 -2.883 1.00 0.00 C ATOM 762 OD1 ASN A 50 18.310 -12.533 -3.919 1.00 0.00 O ATOM 763 ND2 ASN A 50 16.334 -12.434 -2.856 1.00 0.00 N ATOM 0 H ASN A 50 17.800 -15.296 -1.064 1.00 0.00 H new ATOM 0 HA ASN A 50 19.781 -14.025 -2.681 1.00 0.00 H new ATOM 0 HB2 ASN A 50 17.557 -13.216 -0.832 1.00 0.00 H new ATOM 0 HB3 ASN A 50 18.792 -12.021 -1.173 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.830 -12.222 -3.717 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.827 -12.509 -1.974 1.00 0.00 H new ATOM 770 N LYS A 51 21.672 -13.485 -1.192 1.00 0.00 N ATOM 771 CA LYS A 51 22.832 -13.232 -0.346 1.00 0.00 C ATOM 772 C LYS A 51 23.055 -11.734 -0.163 1.00 0.00 C ATOM 773 O LYS A 51 23.432 -11.281 0.918 1.00 0.00 O ATOM 774 CB LYS A 51 24.082 -13.873 -0.954 1.00 0.00 C ATOM 775 CG LYS A 51 25.381 -13.360 -0.357 1.00 0.00 C ATOM 776 CD LYS A 51 25.539 -13.794 1.091 1.00 0.00 C ATOM 777 CE LYS A 51 26.998 -13.786 1.519 1.00 0.00 C ATOM 778 NZ LYS A 51 27.703 -15.033 1.112 1.00 0.00 N ATOM 0 H LYS A 51 21.853 -13.401 -2.192 1.00 0.00 H new ATOM 0 HA LYS A 51 22.642 -13.676 0.631 1.00 0.00 H new ATOM 0 HB2 LYS A 51 24.030 -14.953 -0.816 1.00 0.00 H new ATOM 0 HB3 LYS A 51 24.088 -13.689 -2.028 1.00 0.00 H new ATOM 0 HG2 LYS A 51 26.223 -13.730 -0.943 1.00 0.00 H new ATOM 0 HG3 LYS A 51 25.405 -12.272 -0.416 1.00 0.00 H new ATOM 0 HD2 LYS A 51 24.966 -13.128 1.736 1.00 0.00 H new ATOM 0 HD3 LYS A 51 25.127 -14.795 1.219 1.00 0.00 H new ATOM 0 HE2 LYS A 51 27.501 -12.925 1.079 1.00 0.00 H new ATOM 0 HE3 LYS A 51 27.058 -13.672 2.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 28.695 -14.988 1.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 27.239 -15.853 1.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 27.668 -15.130 0.077 1.00 0.00 H new ATOM 792 N ASP A 52 22.817 -10.971 -1.224 1.00 0.00 N ATOM 793 CA ASP A 52 22.989 -9.523 -1.178 1.00 0.00 C ATOM 794 C ASP A 52 22.154 -8.911 -0.058 1.00 0.00 C ATOM 795 O ASP A 52 21.010 -9.299 0.179 1.00 0.00 O ATOM 796 CB ASP A 52 22.601 -8.900 -2.520 1.00 0.00 C ATOM 797 CG ASP A 52 23.749 -8.897 -3.511 1.00 0.00 C ATOM 798 OD1 ASP A 52 24.824 -8.359 -3.173 1.00 0.00 O ATOM 799 OD2 ASP A 52 23.572 -9.434 -4.624 1.00 0.00 O ATOM 0 H ASP A 52 22.505 -11.330 -2.126 1.00 0.00 H new ATOM 0 HA ASP A 52 24.040 -9.313 -0.978 1.00 0.00 H new ATOM 0 HB2 ASP A 52 21.761 -9.451 -2.943 1.00 0.00 H new ATOM 0 HB3 ASP A 52 22.262 -7.877 -2.358 1.00 0.00 H new ATOM 804 N PRO A 53 22.738 -7.933 0.649 1.00 0.00 N ATOM 805 CA PRO A 53 22.065 -7.247 1.757 1.00 0.00 C ATOM 806 C PRO A 53 20.925 -6.355 1.279 1.00 0.00 C ATOM 807 O PRO A 53 21.141 -5.399 0.535 1.00 0.00 O ATOM 808 CB PRO A 53 23.180 -6.403 2.380 1.00 0.00 C ATOM 809 CG PRO A 53 24.151 -6.181 1.273 1.00 0.00 C ATOM 810 CD PRO A 53 24.099 -7.420 0.422 1.00 0.00 C ATOM 0 HA PRO A 53 21.604 -7.949 2.452 1.00 0.00 H new ATOM 0 HB2 PRO A 53 22.794 -5.458 2.763 1.00 0.00 H new ATOM 0 HB3 PRO A 53 23.647 -6.920 3.218 1.00 0.00 H new ATOM 0 HG2 PRO A 53 23.886 -5.297 0.692 1.00 0.00 H new ATOM 0 HG3 PRO A 53 25.156 -6.017 1.662 1.00 0.00 H new ATOM 0 HD2 PRO A 53 24.272 -7.193 -0.630 1.00 0.00 H new ATOM 0 HD3 PRO A 53 24.857 -8.145 0.721 1.00 0.00 H new ATOM 818 N GLY A 54 19.709 -6.674 1.711 1.00 0.00 N ATOM 819 CA GLY A 54 18.552 -5.891 1.318 1.00 0.00 C ATOM 820 C GLY A 54 17.420 -6.752 0.794 1.00 0.00 C ATOM 821 O GLY A 54 16.253 -6.508 1.099 1.00 0.00 O ATOM 0 H GLY A 54 19.504 -7.461 2.327 1.00 0.00 H new ATOM 0 HA2 GLY A 54 18.200 -5.314 2.173 1.00 0.00 H new ATOM 0 HA3 GLY A 54 18.845 -5.175 0.550 1.00 0.00 H new ATOM 825 N ALA A 55 17.765 -7.762 0.001 1.00 0.00 N ATOM 826 CA ALA A 55 16.768 -8.663 -0.566 1.00 0.00 C ATOM 827 C ALA A 55 15.645 -8.935 0.429 1.00 0.00 C ATOM 828 O ALA A 55 14.473 -8.979 0.057 1.00 0.00 O ATOM 829 CB ALA A 55 17.421 -9.967 -0.998 1.00 0.00 C ATOM 0 H ALA A 55 18.727 -7.977 -0.263 1.00 0.00 H new ATOM 0 HA ALA A 55 16.333 -8.180 -1.441 1.00 0.00 H new ATOM 0 HB1 ALA A 55 16.665 -10.630 -1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 55 18.183 -9.761 -1.750 1.00 0.00 H new ATOM 0 HB3 ALA A 55 17.883 -10.446 -0.135 1.00 0.00 H new ATOM 835 N GLU A 56 16.012 -9.118 1.693 1.00 0.00 N ATOM 836 CA GLU A 56 15.033 -9.388 2.740 1.00 0.00 C ATOM 837 C GLU A 56 13.977 -8.288 2.794 1.00 0.00 C ATOM 838 O GLU A 56 12.779 -8.559 2.709 1.00 0.00 O ATOM 839 CB GLU A 56 15.727 -9.510 4.099 1.00 0.00 C ATOM 840 CG GLU A 56 14.763 -9.587 5.270 1.00 0.00 C ATOM 841 CD GLU A 56 15.452 -9.959 6.569 1.00 0.00 C ATOM 842 OE1 GLU A 56 16.369 -9.221 6.987 1.00 0.00 O ATOM 843 OE2 GLU A 56 15.073 -10.987 7.167 1.00 0.00 O ATOM 0 H GLU A 56 16.979 -9.084 2.017 1.00 0.00 H new ATOM 0 HA GLU A 56 14.539 -10.331 2.506 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.356 -10.400 4.098 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.387 -8.654 4.238 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.265 -8.625 5.390 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.988 -10.322 5.050 1.00 0.00 H new ATOM 850 N ASP A 57 14.429 -7.047 2.935 1.00 0.00 N ATOM 851 CA ASP A 57 13.524 -5.906 3.000 1.00 0.00 C ATOM 852 C ASP A 57 12.344 -6.094 2.051 1.00 0.00 C ATOM 853 O ASP A 57 11.187 -6.077 2.472 1.00 0.00 O ATOM 854 CB ASP A 57 14.270 -4.616 2.657 1.00 0.00 C ATOM 855 CG ASP A 57 13.475 -3.375 3.013 1.00 0.00 C ATOM 856 OD1 ASP A 57 12.562 -3.014 2.242 1.00 0.00 O ATOM 857 OD2 ASP A 57 13.767 -2.764 4.063 1.00 0.00 O ATOM 0 H ASP A 57 15.417 -6.806 3.007 1.00 0.00 H new ATOM 0 HA ASP A 57 13.141 -5.835 4.018 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.222 -4.598 3.187 1.00 0.00 H new ATOM 0 HB3 ASP A 57 14.498 -4.604 1.591 1.00 0.00 H new ATOM 862 N ARG A 58 12.645 -6.272 0.769 1.00 0.00 N ATOM 863 CA ARG A 58 11.609 -6.461 -0.240 1.00 0.00 C ATOM 864 C ARG A 58 10.747 -7.676 0.087 1.00 0.00 C ATOM 865 O ARG A 58 9.518 -7.607 0.051 1.00 0.00 O ATOM 866 CB ARG A 58 12.240 -6.626 -1.624 1.00 0.00 C ATOM 867 CG ARG A 58 11.307 -6.258 -2.766 1.00 0.00 C ATOM 868 CD ARG A 58 11.081 -4.756 -2.839 1.00 0.00 C ATOM 869 NE ARG A 58 12.176 -4.070 -3.519 1.00 0.00 N ATOM 870 CZ ARG A 58 12.278 -3.978 -4.840 1.00 0.00 C ATOM 871 NH1 ARG A 58 11.355 -4.525 -5.619 1.00 0.00 N ATOM 872 NH2 ARG A 58 13.304 -3.337 -5.384 1.00 0.00 N ATOM 0 H ARG A 58 13.597 -6.289 0.404 1.00 0.00 H new ATOM 0 HA ARG A 58 10.972 -5.576 -0.242 1.00 0.00 H new ATOM 0 HB2 ARG A 58 13.134 -6.006 -1.683 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.561 -7.660 -1.747 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.727 -6.610 -3.708 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.351 -6.765 -2.634 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.147 -4.555 -3.363 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.973 -4.356 -1.831 1.00 0.00 H new ATOM 0 HE ARG A 58 12.902 -3.638 -2.948 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.564 -5.018 -5.204 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.436 -4.453 -6.633 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.015 -2.914 -4.788 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.382 -3.267 -6.399 1.00 0.00 H new ATOM 886 N PHE A 59 11.399 -8.790 0.405 1.00 0.00 N ATOM 887 CA PHE A 59 10.693 -10.022 0.737 1.00 0.00 C ATOM 888 C PHE A 59 9.592 -9.758 1.760 1.00 0.00 C ATOM 889 O PHE A 59 8.474 -10.257 1.626 1.00 0.00 O ATOM 890 CB PHE A 59 11.671 -11.065 1.281 1.00 0.00 C ATOM 891 CG PHE A 59 11.003 -12.169 2.049 1.00 0.00 C ATOM 892 CD1 PHE A 59 10.781 -12.047 3.411 1.00 0.00 C ATOM 893 CD2 PHE A 59 10.598 -13.329 1.410 1.00 0.00 C ATOM 894 CE1 PHE A 59 10.167 -13.062 4.121 1.00 0.00 C ATOM 895 CE2 PHE A 59 9.984 -14.348 2.114 1.00 0.00 C ATOM 896 CZ PHE A 59 9.767 -14.213 3.471 1.00 0.00 C ATOM 0 H PHE A 59 12.416 -8.865 0.440 1.00 0.00 H new ATOM 0 HA PHE A 59 10.234 -10.406 -0.174 1.00 0.00 H new ATOM 0 HB2 PHE A 59 12.229 -11.497 0.450 1.00 0.00 H new ATOM 0 HB3 PHE A 59 12.395 -10.570 1.928 1.00 0.00 H new ATOM 0 HD1 PHE A 59 11.091 -11.149 3.924 1.00 0.00 H new ATOM 0 HD2 PHE A 59 10.764 -13.439 0.348 1.00 0.00 H new ATOM 0 HE1 PHE A 59 10.000 -12.955 5.183 1.00 0.00 H new ATOM 0 HE2 PHE A 59 9.675 -15.248 1.604 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.285 -15.006 4.023 1.00 0.00 H new ATOM 906 N ILE A 60 9.916 -8.972 2.781 1.00 0.00 N ATOM 907 CA ILE A 60 8.955 -8.642 3.826 1.00 0.00 C ATOM 908 C ILE A 60 7.680 -8.051 3.234 1.00 0.00 C ATOM 909 O ILE A 60 6.575 -8.481 3.562 1.00 0.00 O ATOM 910 CB ILE A 60 9.547 -7.646 4.840 1.00 0.00 C ATOM 911 CG1 ILE A 60 10.805 -8.229 5.487 1.00 0.00 C ATOM 912 CG2 ILE A 60 8.514 -7.294 5.901 1.00 0.00 C ATOM 913 CD1 ILE A 60 11.599 -7.218 6.283 1.00 0.00 C ATOM 0 H ILE A 60 10.837 -8.552 2.907 1.00 0.00 H new ATOM 0 HA ILE A 60 8.716 -9.573 4.340 1.00 0.00 H new ATOM 0 HB ILE A 60 9.823 -6.734 4.312 1.00 0.00 H new ATOM 0 HG12 ILE A 60 10.519 -9.051 6.142 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.443 -8.649 4.709 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.947 -6.589 6.611 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.644 -6.842 5.426 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.210 -8.199 6.428 1.00 0.00 H new ATOM 0 HD11 ILE A 60 12.476 -7.701 6.713 1.00 0.00 H new ATOM 0 HD12 ILE A 60 11.916 -6.407 5.628 1.00 0.00 H new ATOM 0 HD13 ILE A 60 10.978 -6.816 7.083 1.00 0.00 H new ATOM 925 N GLN A 61 7.843 -7.065 2.358 1.00 0.00 N ATOM 926 CA GLN A 61 6.705 -6.415 1.719 1.00 0.00 C ATOM 927 C GLN A 61 5.868 -7.426 0.941 1.00 0.00 C ATOM 928 O GLN A 61 4.643 -7.457 1.064 1.00 0.00 O ATOM 929 CB GLN A 61 7.184 -5.304 0.783 1.00 0.00 C ATOM 930 CG GLN A 61 7.307 -3.949 1.462 1.00 0.00 C ATOM 931 CD GLN A 61 7.731 -2.853 0.503 1.00 0.00 C ATOM 932 OE1 GLN A 61 8.753 -2.966 -0.174 1.00 0.00 O ATOM 933 NE2 GLN A 61 6.945 -1.785 0.441 1.00 0.00 N ATOM 0 H GLN A 61 8.752 -6.699 2.075 1.00 0.00 H new ATOM 0 HA GLN A 61 6.082 -5.978 2.500 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.152 -5.582 0.368 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.490 -5.221 -0.054 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.350 -3.684 1.911 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.032 -4.018 2.273 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.107 -1.734 1.021 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.179 -1.015 -0.186 1.00 0.00 H new ATOM 942 N ILE A 62 6.537 -8.249 0.141 1.00 0.00 N ATOM 943 CA ILE A 62 5.854 -9.261 -0.656 1.00 0.00 C ATOM 944 C ILE A 62 4.931 -10.112 0.209 1.00 0.00 C ATOM 945 O ILE A 62 3.753 -10.284 -0.105 1.00 0.00 O ATOM 946 CB ILE A 62 6.857 -10.182 -1.375 1.00 0.00 C ATOM 947 CG1 ILE A 62 7.764 -9.364 -2.298 1.00 0.00 C ATOM 948 CG2 ILE A 62 6.121 -11.255 -2.163 1.00 0.00 C ATOM 949 CD1 ILE A 62 9.132 -9.976 -2.499 1.00 0.00 C ATOM 0 H ILE A 62 7.551 -8.235 0.027 1.00 0.00 H new ATOM 0 HA ILE A 62 5.262 -8.729 -1.401 1.00 0.00 H new ATOM 0 HB ILE A 62 7.479 -10.671 -0.626 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.278 -9.254 -3.268 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.880 -8.362 -1.885 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.844 -11.898 -2.665 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.514 -11.853 -1.484 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.477 -10.784 -2.905 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.720 -9.343 -3.164 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.638 -10.060 -1.537 1.00 0.00 H new ATOM 0 HD13 ILE A 62 9.026 -10.967 -2.941 1.00 0.00 H new ATOM 961 N SER A 63 5.473 -10.640 1.302 1.00 0.00 N ATOM 962 CA SER A 63 4.698 -11.474 2.213 1.00 0.00 C ATOM 963 C SER A 63 3.558 -10.679 2.841 1.00 0.00 C ATOM 964 O SER A 63 2.408 -11.119 2.850 1.00 0.00 O ATOM 965 CB SER A 63 5.601 -12.045 3.308 1.00 0.00 C ATOM 966 OG SER A 63 5.104 -13.284 3.784 1.00 0.00 O ATOM 0 H SER A 63 6.446 -10.505 1.578 1.00 0.00 H new ATOM 0 HA SER A 63 4.271 -12.296 1.639 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.610 -12.180 2.918 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.670 -11.336 4.133 1.00 0.00 H new ATOM 0 HG SER A 63 5.699 -13.629 4.482 1.00 0.00 H new ATOM 972 N LYS A 64 3.884 -9.504 3.368 1.00 0.00 N ATOM 973 CA LYS A 64 2.890 -8.644 3.998 1.00 0.00 C ATOM 974 C LYS A 64 1.741 -8.347 3.040 1.00 0.00 C ATOM 975 O LYS A 64 0.575 -8.355 3.432 1.00 0.00 O ATOM 976 CB LYS A 64 3.535 -7.335 4.458 1.00 0.00 C ATOM 977 CG LYS A 64 4.550 -7.516 5.574 1.00 0.00 C ATOM 978 CD LYS A 64 3.871 -7.748 6.913 1.00 0.00 C ATOM 979 CE LYS A 64 4.882 -7.804 8.048 1.00 0.00 C ATOM 980 NZ LYS A 64 5.368 -6.448 8.425 1.00 0.00 N ATOM 0 H LYS A 64 4.831 -9.125 3.371 1.00 0.00 H new ATOM 0 HA LYS A 64 2.490 -9.169 4.865 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.024 -6.862 3.607 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.754 -6.654 4.796 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.199 -8.361 5.343 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.186 -6.633 5.636 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.154 -6.949 7.102 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.308 -8.680 6.880 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.427 -8.281 8.916 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.728 -8.423 7.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.055 -6.529 9.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.825 -6.002 7.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.564 -5.864 8.733 1.00 0.00 H new ATOM 994 N ALA A 65 2.079 -8.087 1.781 1.00 0.00 N ATOM 995 CA ALA A 65 1.075 -7.792 0.766 1.00 0.00 C ATOM 996 C ALA A 65 0.093 -8.948 0.612 1.00 0.00 C ATOM 997 O ALA A 65 -1.116 -8.771 0.763 1.00 0.00 O ATOM 998 CB ALA A 65 1.745 -7.486 -0.565 1.00 0.00 C ATOM 0 H ALA A 65 3.040 -8.075 1.440 1.00 0.00 H new ATOM 0 HA ALA A 65 0.515 -6.915 1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.984 -7.268 -1.314 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.401 -6.623 -0.452 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.331 -8.348 -0.884 1.00 0.00 H new ATOM 1004 N TYR A 66 0.620 -10.129 0.312 1.00 0.00 N ATOM 1005 CA TYR A 66 -0.212 -11.314 0.135 1.00 0.00 C ATOM 1006 C TYR A 66 -0.998 -11.622 1.406 1.00 0.00 C ATOM 1007 O TYR A 66 -2.196 -11.899 1.355 1.00 0.00 O ATOM 1008 CB TYR A 66 0.652 -12.517 -0.248 1.00 0.00 C ATOM 1009 CG TYR A 66 -0.149 -13.750 -0.600 1.00 0.00 C ATOM 1010 CD1 TYR A 66 -1.316 -13.653 -1.348 1.00 0.00 C ATOM 1011 CD2 TYR A 66 0.261 -15.011 -0.185 1.00 0.00 C ATOM 1012 CE1 TYR A 66 -2.052 -14.777 -1.672 1.00 0.00 C ATOM 1013 CE2 TYR A 66 -0.467 -16.140 -0.506 1.00 0.00 C ATOM 1014 CZ TYR A 66 -1.623 -16.018 -1.249 1.00 0.00 C ATOM 1015 OH TYR A 66 -2.352 -17.140 -1.570 1.00 0.00 O ATOM 0 H TYR A 66 1.619 -10.292 0.186 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.920 -11.113 -0.669 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.280 -12.247 -1.097 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.320 -12.752 0.580 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.654 -12.683 -1.682 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.164 -15.110 0.399 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.958 -14.684 -2.253 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.133 -17.113 -0.177 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.913 -17.933 -1.197 1.00 0.00 H new ATOM 1025 N GLU A 67 -0.314 -11.571 2.544 1.00 0.00 N ATOM 1026 CA GLU A 67 -0.948 -11.845 3.829 1.00 0.00 C ATOM 1027 C GLU A 67 -2.350 -11.245 3.882 1.00 0.00 C ATOM 1028 O GLU A 67 -3.300 -11.898 4.313 1.00 0.00 O ATOM 1029 CB GLU A 67 -0.098 -11.287 4.972 1.00 0.00 C ATOM 1030 CG GLU A 67 1.050 -12.196 5.377 1.00 0.00 C ATOM 1031 CD GLU A 67 0.575 -13.486 6.017 1.00 0.00 C ATOM 1032 OE1 GLU A 67 0.325 -13.485 7.240 1.00 0.00 O ATOM 1033 OE2 GLU A 67 0.453 -14.497 5.293 1.00 0.00 O ATOM 0 H GLU A 67 0.678 -11.343 2.603 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.030 -12.926 3.942 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.304 -10.318 4.675 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.737 -11.115 5.838 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.650 -12.431 4.498 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.699 -11.666 6.074 1.00 0.00 H new ATOM 1040 N ILE A 68 -2.470 -9.997 3.443 1.00 0.00 N ATOM 1041 CA ILE A 68 -3.754 -9.308 3.440 1.00 0.00 C ATOM 1042 C ILE A 68 -4.757 -10.018 2.537 1.00 0.00 C ATOM 1043 O ILE A 68 -5.901 -10.257 2.927 1.00 0.00 O ATOM 1044 CB ILE A 68 -3.609 -7.846 2.977 1.00 0.00 C ATOM 1045 CG1 ILE A 68 -2.669 -7.083 3.913 1.00 0.00 C ATOM 1046 CG2 ILE A 68 -4.971 -7.171 2.920 1.00 0.00 C ATOM 1047 CD1 ILE A 68 -2.086 -5.832 3.294 1.00 0.00 C ATOM 0 H ILE A 68 -1.693 -9.442 3.085 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.120 -9.320 4.467 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.179 -7.838 1.975 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.212 -6.812 4.818 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.855 -7.743 4.215 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.852 -6.139 2.591 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.612 -7.704 2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.426 -7.186 3.910 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.430 -5.342 4.013 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.515 -6.098 2.405 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.893 -5.153 3.018 1.00 0.00 H new ATOM 1059 N LEU A 69 -4.320 -10.356 1.328 1.00 0.00 N ATOM 1060 CA LEU A 69 -5.179 -11.041 0.368 1.00 0.00 C ATOM 1061 C LEU A 69 -5.352 -12.509 0.745 1.00 0.00 C ATOM 1062 O LEU A 69 -6.452 -12.948 1.081 1.00 0.00 O ATOM 1063 CB LEU A 69 -4.593 -10.929 -1.040 1.00 0.00 C ATOM 1064 CG LEU A 69 -3.992 -9.573 -1.412 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -3.269 -9.658 -2.747 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -5.074 -8.504 -1.455 1.00 0.00 C ATOM 0 H LEU A 69 -3.376 -10.167 0.990 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.158 -10.562 0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.820 -11.689 -1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.378 -11.165 -1.758 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.267 -9.296 -0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.848 -8.684 -2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.467 -10.394 -2.680 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.973 -9.958 -3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.628 -7.546 -1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.824 -8.775 -2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.546 -8.425 -0.476 1.00 0.00 H new ATOM 1078 N SER A 70 -4.259 -13.262 0.688 1.00 0.00 N ATOM 1079 CA SER A 70 -4.290 -14.682 1.021 1.00 0.00 C ATOM 1080 C SER A 70 -5.226 -14.943 2.197 1.00 0.00 C ATOM 1081 O SER A 70 -5.994 -15.904 2.191 1.00 0.00 O ATOM 1082 CB SER A 70 -2.883 -15.180 1.354 1.00 0.00 C ATOM 1083 OG SER A 70 -2.779 -16.580 1.162 1.00 0.00 O ATOM 0 H SER A 70 -3.340 -12.913 0.414 1.00 0.00 H new ATOM 0 HA SER A 70 -4.664 -15.226 0.153 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.154 -14.668 0.725 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.641 -14.933 2.388 1.00 0.00 H new ATOM 0 HG SER A 70 -2.362 -16.761 0.294 1.00 0.00 H new ATOM 1089 N ASN A 71 -5.155 -14.080 3.205 1.00 0.00 N ATOM 1090 CA ASN A 71 -5.995 -14.217 4.389 1.00 0.00 C ATOM 1091 C ASN A 71 -7.417 -13.741 4.105 1.00 0.00 C ATOM 1092 O ASN A 71 -7.634 -12.587 3.738 1.00 0.00 O ATOM 1093 CB ASN A 71 -5.403 -13.422 5.554 1.00 0.00 C ATOM 1094 CG ASN A 71 -5.911 -13.903 6.900 1.00 0.00 C ATOM 1095 OD1 ASN A 71 -6.898 -14.635 6.977 1.00 0.00 O ATOM 1096 ND2 ASN A 71 -5.238 -13.491 7.968 1.00 0.00 N ATOM 0 H ASN A 71 -4.525 -13.278 3.226 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.031 -15.273 4.659 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.316 -13.502 5.529 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.648 -12.367 5.432 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.534 -13.781 8.900 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.425 -12.885 7.856 1.00 0.00 H new ATOM 1103 N GLU A 72 -8.381 -14.640 4.280 1.00 0.00 N ATOM 1104 CA GLU A 72 -9.782 -14.311 4.042 1.00 0.00 C ATOM 1105 C GLU A 72 -10.222 -13.140 4.915 1.00 0.00 C ATOM 1106 O GLU A 72 -10.953 -12.258 4.466 1.00 0.00 O ATOM 1107 CB GLU A 72 -10.668 -15.528 4.317 1.00 0.00 C ATOM 1108 CG GLU A 72 -11.959 -15.534 3.517 1.00 0.00 C ATOM 1109 CD GLU A 72 -12.539 -16.926 3.356 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -13.163 -17.423 4.318 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -12.370 -17.519 2.270 1.00 0.00 O ATOM 0 H GLU A 72 -8.218 -15.600 4.585 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.888 -14.022 2.996 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.106 -16.434 4.091 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.909 -15.559 5.380 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.691 -14.894 4.010 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.774 -15.105 2.532 1.00 0.00 H new ATOM 1118 N GLU A 73 -9.771 -13.140 6.166 1.00 0.00 N ATOM 1119 CA GLU A 73 -10.120 -12.078 7.103 1.00 0.00 C ATOM 1120 C GLU A 73 -9.565 -10.736 6.635 1.00 0.00 C ATOM 1121 O GLU A 73 -10.317 -9.798 6.370 1.00 0.00 O ATOM 1122 CB GLU A 73 -9.586 -12.404 8.499 1.00 0.00 C ATOM 1123 CG GLU A 73 -10.217 -13.640 9.119 1.00 0.00 C ATOM 1124 CD GLU A 73 -9.775 -13.865 10.552 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -8.638 -13.471 10.890 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -10.563 -14.434 11.335 1.00 0.00 O ATOM 0 H GLU A 73 -9.164 -13.862 6.553 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.207 -12.008 7.145 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.507 -12.547 8.442 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.760 -11.550 9.154 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.302 -13.543 9.089 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.958 -14.514 8.521 1.00 0.00 H new ATOM 1133 N LYS A 74 -8.243 -10.651 6.537 1.00 0.00 N ATOM 1134 CA LYS A 74 -7.584 -9.425 6.101 1.00 0.00 C ATOM 1135 C LYS A 74 -8.129 -8.965 4.752 1.00 0.00 C ATOM 1136 O LYS A 74 -8.461 -7.793 4.573 1.00 0.00 O ATOM 1137 CB LYS A 74 -6.072 -9.640 6.005 1.00 0.00 C ATOM 1138 CG LYS A 74 -5.438 -10.087 7.311 1.00 0.00 C ATOM 1139 CD LYS A 74 -3.984 -9.655 7.401 1.00 0.00 C ATOM 1140 CE LYS A 74 -3.386 -9.989 8.759 1.00 0.00 C ATOM 1141 NZ LYS A 74 -3.638 -8.911 9.756 1.00 0.00 N ATOM 0 H LYS A 74 -7.606 -11.417 6.754 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.788 -8.650 6.840 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.867 -10.386 5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.601 -8.712 5.681 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.995 -9.669 8.149 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.502 -11.172 7.395 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.408 -10.147 6.618 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.911 -8.582 7.224 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.809 -10.926 9.122 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.312 -10.144 8.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.215 -9.176 10.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.212 -8.023 9.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.663 -8.780 9.875 1.00 0.00 H new ATOM 1155 N ARG A 75 -8.220 -9.896 3.807 1.00 0.00 N ATOM 1156 CA ARG A 75 -8.725 -9.585 2.475 1.00 0.00 C ATOM 1157 C ARG A 75 -10.104 -8.937 2.554 1.00 0.00 C ATOM 1158 O ARG A 75 -10.310 -7.827 2.063 1.00 0.00 O ATOM 1159 CB ARG A 75 -8.794 -10.855 1.624 1.00 0.00 C ATOM 1160 CG ARG A 75 -8.988 -10.584 0.141 1.00 0.00 C ATOM 1161 CD ARG A 75 -9.678 -11.748 -0.552 1.00 0.00 C ATOM 1162 NE ARG A 75 -11.002 -12.011 0.006 1.00 0.00 N ATOM 1163 CZ ARG A 75 -11.958 -12.664 -0.645 1.00 0.00 C ATOM 1164 NH1 ARG A 75 -11.738 -13.119 -1.871 1.00 0.00 N ATOM 1165 NH2 ARG A 75 -13.137 -12.864 -0.070 1.00 0.00 N ATOM 0 H ARG A 75 -7.951 -10.871 3.939 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.038 -8.880 2.008 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -7.876 -11.426 1.763 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.614 -11.478 1.981 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.580 -9.678 0.010 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.020 -10.403 -0.327 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -9.770 -11.533 -1.617 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -9.061 -12.642 -0.459 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.204 -11.675 0.948 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.833 -12.968 -2.316 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.474 -13.620 -2.369 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.310 -12.516 0.873 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.870 -13.366 -0.571 1.00 0.00 H new ATOM 1179 N THR A 76 -11.047 -9.639 3.175 1.00 0.00 N ATOM 1180 CA THR A 76 -12.407 -9.133 3.317 1.00 0.00 C ATOM 1181 C THR A 76 -12.424 -7.801 4.057 1.00 0.00 C ATOM 1182 O THR A 76 -13.107 -6.862 3.650 1.00 0.00 O ATOM 1183 CB THR A 76 -13.304 -10.136 4.067 1.00 0.00 C ATOM 1184 OG1 THR A 76 -13.278 -11.406 3.407 1.00 0.00 O ATOM 1185 CG2 THR A 76 -14.735 -9.628 4.146 1.00 0.00 C ATOM 0 H THR A 76 -10.894 -10.559 3.587 1.00 0.00 H new ATOM 0 HA THR A 76 -12.798 -8.990 2.309 1.00 0.00 H new ATOM 0 HB THR A 76 -12.919 -10.247 5.081 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.562 -11.957 3.786 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.349 -10.353 4.680 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.754 -8.676 4.676 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.128 -9.491 3.139 1.00 0.00 H new