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 -165:sc= -1.24 USER MOD Set 1.2: A 70 SER OG : rot 100:sc= 0.394 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= -0.761 K(o=-0.76,f=0.55) USER MOD Single : A 35 LYS NZ :NH3+ 148:sc= -1.96! (180deg=-3.43!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0347) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -5.43! C(o=-5.4!,f=-9!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.586 X(o=-0.59,f=-1) 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 -87:sc= 0.0774 USER MOD Single : A 64 LYS NZ :NH3+ -164:sc= -0.0233 (180deg=-0.201) USER MOD Single : A 71 ASN : amide:sc= 0.0369 X(o=0.037,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 80:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 191 N ASP A 16 -1.005 2.553 3.906 1.00 0.00 N ATOM 192 CA ASP A 16 0.441 2.555 3.717 1.00 0.00 C ATOM 193 C ASP A 16 0.809 2.020 2.336 1.00 0.00 C ATOM 194 O ASP A 16 1.572 2.646 1.600 1.00 0.00 O ATOM 195 CB ASP A 16 1.120 1.716 4.800 1.00 0.00 C ATOM 196 CG ASP A 16 2.617 1.946 4.858 1.00 0.00 C ATOM 197 OD1 ASP A 16 3.035 3.006 5.371 1.00 0.00 O ATOM 198 OD2 ASP A 16 3.371 1.067 4.391 1.00 0.00 O ATOM 0 HA ASP A 16 0.791 3.584 3.794 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.681 1.955 5.769 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.925 0.660 4.613 1.00 0.00 H new ATOM 203 N PHE A 17 0.263 0.859 1.993 1.00 0.00 N ATOM 204 CA PHE A 17 0.535 0.238 0.701 1.00 0.00 C ATOM 205 C PHE A 17 -0.578 -0.733 0.319 1.00 0.00 C ATOM 206 O PHE A 17 -1.316 -1.217 1.177 1.00 0.00 O ATOM 207 CB PHE A 17 1.878 -0.495 0.737 1.00 0.00 C ATOM 208 CG PHE A 17 1.854 -1.749 1.564 1.00 0.00 C ATOM 209 CD1 PHE A 17 1.152 -2.864 1.135 1.00 0.00 C ATOM 210 CD2 PHE A 17 2.533 -1.813 2.770 1.00 0.00 C ATOM 211 CE1 PHE A 17 1.128 -4.019 1.894 1.00 0.00 C ATOM 212 CE2 PHE A 17 2.513 -2.965 3.533 1.00 0.00 C ATOM 213 CZ PHE A 17 1.810 -4.070 3.094 1.00 0.00 C ATOM 0 H PHE A 17 -0.371 0.328 2.591 1.00 0.00 H new ATOM 0 HA PHE A 17 0.579 1.026 -0.051 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.173 -0.747 -0.282 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.639 0.177 1.133 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.618 -2.830 0.197 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.085 -0.952 3.118 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.576 -4.881 1.549 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.046 -3.001 4.471 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.794 -4.972 3.688 1.00 0.00 H new ATOM 223 N ASP A 18 -0.692 -1.013 -0.974 1.00 0.00 N ATOM 224 CA ASP A 18 -1.714 -1.926 -1.472 1.00 0.00 C ATOM 225 C ASP A 18 -1.123 -3.305 -1.747 1.00 0.00 C ATOM 226 O ASP A 18 0.014 -3.442 -2.199 1.00 0.00 O ATOM 227 CB ASP A 18 -2.351 -1.368 -2.745 1.00 0.00 C ATOM 228 CG ASP A 18 -3.533 -0.464 -2.453 1.00 0.00 C ATOM 229 OD1 ASP A 18 -3.535 0.181 -1.384 1.00 0.00 O ATOM 230 OD2 ASP A 18 -4.456 -0.403 -3.292 1.00 0.00 O ATOM 0 H ASP A 18 -0.089 -0.621 -1.697 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.482 -2.025 -0.705 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.602 -0.811 -3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.677 -2.194 -3.377 1.00 0.00 H new ATOM 235 N PRO A 19 -1.911 -4.354 -1.467 1.00 0.00 N ATOM 236 CA PRO A 19 -1.487 -5.742 -1.676 1.00 0.00 C ATOM 237 C PRO A 19 -1.373 -6.097 -3.154 1.00 0.00 C ATOM 238 O PRO A 19 -0.465 -6.822 -3.560 1.00 0.00 O ATOM 239 CB PRO A 19 -2.601 -6.557 -1.014 1.00 0.00 C ATOM 240 CG PRO A 19 -3.797 -5.670 -1.061 1.00 0.00 C ATOM 241 CD PRO A 19 -3.278 -4.266 -0.926 1.00 0.00 C ATOM 0 HA PRO A 19 -0.497 -5.933 -1.261 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.779 -7.491 -1.547 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.343 -6.820 0.012 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.340 -5.797 -1.998 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.491 -5.908 -0.255 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.887 -3.557 -1.487 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.279 -3.935 0.113 1.00 0.00 H new ATOM 249 N TYR A 20 -2.299 -5.581 -3.955 1.00 0.00 N ATOM 250 CA TYR A 20 -2.304 -5.846 -5.388 1.00 0.00 C ATOM 251 C TYR A 20 -1.133 -5.149 -6.075 1.00 0.00 C ATOM 252 O TYR A 20 -0.481 -5.722 -6.948 1.00 0.00 O ATOM 253 CB TYR A 20 -3.622 -5.382 -6.010 1.00 0.00 C ATOM 254 CG TYR A 20 -4.744 -6.386 -5.868 1.00 0.00 C ATOM 255 CD1 TYR A 20 -5.523 -6.430 -4.718 1.00 0.00 C ATOM 256 CD2 TYR A 20 -5.025 -7.291 -6.884 1.00 0.00 C ATOM 257 CE1 TYR A 20 -6.548 -7.346 -4.584 1.00 0.00 C ATOM 258 CE2 TYR A 20 -6.050 -8.210 -6.759 1.00 0.00 C ATOM 259 CZ TYR A 20 -6.808 -8.233 -5.607 1.00 0.00 C ATOM 260 OH TYR A 20 -7.829 -9.147 -5.479 1.00 0.00 O ATOM 0 H TYR A 20 -3.056 -4.977 -3.635 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.200 -6.921 -5.532 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.924 -4.444 -5.544 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.462 -5.175 -7.068 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.323 -5.736 -3.915 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.433 -7.276 -7.787 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.143 -7.367 -3.683 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -6.256 -8.906 -7.559 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.880 -9.697 -6.289 1.00 0.00 H new ATOM 270 N ARG A 21 -0.872 -3.910 -5.672 1.00 0.00 N ATOM 271 CA ARG A 21 0.220 -3.134 -6.247 1.00 0.00 C ATOM 272 C ARG A 21 1.569 -3.769 -5.923 1.00 0.00 C ATOM 273 O ARG A 21 2.427 -3.907 -6.795 1.00 0.00 O ATOM 274 CB ARG A 21 0.183 -1.696 -5.725 1.00 0.00 C ATOM 275 CG ARG A 21 -0.914 -0.849 -6.349 1.00 0.00 C ATOM 276 CD ARG A 21 -0.497 -0.313 -7.710 1.00 0.00 C ATOM 277 NE ARG A 21 0.308 0.900 -7.596 1.00 0.00 N ATOM 278 CZ ARG A 21 1.032 1.397 -8.593 1.00 0.00 C ATOM 279 NH1 ARG A 21 1.050 0.789 -9.771 1.00 0.00 N ATOM 280 NH2 ARG A 21 1.739 2.506 -8.412 1.00 0.00 N ATOM 0 H ARG A 21 -1.402 -3.422 -4.950 1.00 0.00 H new ATOM 0 HA ARG A 21 0.093 -3.124 -7.330 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.045 -1.714 -4.644 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.147 -1.224 -5.916 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.821 -1.445 -6.454 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.154 -0.017 -5.687 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.071 -1.076 -8.242 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.386 -0.104 -8.305 1.00 0.00 H new ATOM 0 HE ARG A 21 0.315 1.392 -6.703 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.507 -0.063 -9.914 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.607 1.173 -10.535 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.727 2.977 -7.507 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.295 2.887 -9.178 1.00 0.00 H new ATOM 294 N VAL A 22 1.749 -4.154 -4.664 1.00 0.00 N ATOM 295 CA VAL A 22 2.992 -4.775 -4.224 1.00 0.00 C ATOM 296 C VAL A 22 3.244 -6.085 -4.963 1.00 0.00 C ATOM 297 O VAL A 22 4.264 -6.246 -5.634 1.00 0.00 O ATOM 298 CB VAL A 22 2.978 -5.049 -2.708 1.00 0.00 C ATOM 299 CG1 VAL A 22 4.162 -5.918 -2.311 1.00 0.00 C ATOM 300 CG2 VAL A 22 2.982 -3.741 -1.932 1.00 0.00 C ATOM 0 H VAL A 22 1.049 -4.047 -3.930 1.00 0.00 H new ATOM 0 HA VAL A 22 3.794 -4.072 -4.451 1.00 0.00 H new ATOM 0 HB VAL A 22 2.064 -5.589 -2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.135 -6.101 -1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.110 -6.868 -2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.090 -5.408 -2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.972 -3.952 -0.863 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.878 -3.173 -2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.099 -3.159 -2.195 1.00 0.00 H new ATOM 310 N LEU A 23 2.307 -7.018 -4.837 1.00 0.00 N ATOM 311 CA LEU A 23 2.425 -8.315 -5.494 1.00 0.00 C ATOM 312 C LEU A 23 2.599 -8.149 -7.000 1.00 0.00 C ATOM 313 O LEU A 23 3.335 -8.901 -7.637 1.00 0.00 O ATOM 314 CB LEU A 23 1.192 -9.172 -5.202 1.00 0.00 C ATOM 315 CG LEU A 23 1.173 -9.883 -3.849 1.00 0.00 C ATOM 316 CD1 LEU A 23 -0.158 -10.586 -3.634 1.00 0.00 C ATOM 317 CD2 LEU A 23 2.324 -10.873 -3.751 1.00 0.00 C ATOM 0 H LEU A 23 1.457 -6.901 -4.286 1.00 0.00 H new ATOM 0 HA LEU A 23 3.309 -8.816 -5.098 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.309 -8.537 -5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.103 -9.924 -5.986 1.00 0.00 H new ATOM 0 HG LEU A 23 1.296 -9.135 -3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.153 -11.087 -2.666 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.965 -9.853 -3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.312 -11.323 -4.422 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.295 -11.370 -2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.233 -11.617 -4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.270 -10.343 -3.859 1.00 0.00 H new ATOM 329 N GLY A 24 1.916 -7.157 -7.563 1.00 0.00 N ATOM 330 CA GLY A 24 2.010 -6.908 -8.990 1.00 0.00 C ATOM 331 C GLY A 24 0.854 -7.515 -9.761 1.00 0.00 C ATOM 332 O GLY A 24 1.038 -8.036 -10.861 1.00 0.00 O ATOM 0 H GLY A 24 1.299 -6.521 -7.057 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.036 -5.833 -9.167 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.948 -7.316 -9.366 1.00 0.00 H new ATOM 336 N VAL A 25 -0.341 -7.449 -9.183 1.00 0.00 N ATOM 337 CA VAL A 25 -1.531 -7.996 -9.822 1.00 0.00 C ATOM 338 C VAL A 25 -2.628 -6.943 -9.935 1.00 0.00 C ATOM 339 O VAL A 25 -2.562 -5.893 -9.297 1.00 0.00 O ATOM 340 CB VAL A 25 -2.077 -9.210 -9.047 1.00 0.00 C ATOM 341 CG1 VAL A 25 -1.308 -10.470 -9.416 1.00 0.00 C ATOM 342 CG2 VAL A 25 -2.014 -8.956 -7.548 1.00 0.00 C ATOM 0 H VAL A 25 -0.510 -7.022 -8.272 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.235 -8.316 -10.821 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.121 -9.357 -9.324 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.708 -11.317 -8.858 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.410 -10.658 -10.485 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.254 -10.339 -9.169 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.404 -9.824 -7.015 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.980 -8.783 -7.252 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.614 -8.080 -7.302 1.00 0.00 H new ATOM 352 N SER A 26 -3.636 -7.233 -10.751 1.00 0.00 N ATOM 353 CA SER A 26 -4.747 -6.309 -10.950 1.00 0.00 C ATOM 354 C SER A 26 -6.050 -6.906 -10.429 1.00 0.00 C ATOM 355 O SER A 26 -6.097 -8.070 -10.030 1.00 0.00 O ATOM 356 CB SER A 26 -4.890 -5.962 -12.434 1.00 0.00 C ATOM 357 OG SER A 26 -4.095 -4.839 -12.773 1.00 0.00 O ATOM 0 H SER A 26 -3.707 -8.099 -11.285 1.00 0.00 H new ATOM 0 HA SER A 26 -4.535 -5.399 -10.390 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.594 -6.818 -13.041 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.935 -5.754 -12.663 1.00 0.00 H new ATOM 0 HG SER A 26 -4.202 -4.638 -13.726 1.00 0.00 H new ATOM 363 N ARG A 27 -7.107 -6.101 -10.434 1.00 0.00 N ATOM 364 CA ARG A 27 -8.412 -6.548 -9.961 1.00 0.00 C ATOM 365 C ARG A 27 -8.892 -7.760 -10.754 1.00 0.00 C ATOM 366 O ARG A 27 -9.748 -8.517 -10.295 1.00 0.00 O ATOM 367 CB ARG A 27 -9.434 -5.415 -10.071 1.00 0.00 C ATOM 368 CG ARG A 27 -9.779 -5.044 -11.504 1.00 0.00 C ATOM 369 CD ARG A 27 -8.840 -3.978 -12.045 1.00 0.00 C ATOM 370 NE ARG A 27 -9.362 -3.354 -13.259 1.00 0.00 N ATOM 371 CZ ARG A 27 -10.405 -2.531 -13.272 1.00 0.00 C ATOM 372 NH1 ARG A 27 -11.033 -2.233 -12.143 1.00 0.00 N ATOM 373 NH2 ARG A 27 -10.820 -2.002 -14.416 1.00 0.00 N ATOM 0 H ARG A 27 -7.085 -5.135 -10.761 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.312 -6.837 -8.915 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.346 -5.708 -9.551 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -9.044 -4.534 -9.560 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -9.725 -5.932 -12.134 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -10.806 -4.683 -11.550 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.682 -3.214 -11.284 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.868 -4.424 -12.256 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.900 -3.562 -14.145 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.716 -2.636 -11.261 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.833 -1.601 -12.156 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.338 -2.227 -15.286 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.621 -1.370 -14.425 1.00 0.00 H new ATOM 387 N THR A 28 -8.335 -7.937 -11.948 1.00 0.00 N ATOM 388 CA THR A 28 -8.707 -9.055 -12.806 1.00 0.00 C ATOM 389 C THR A 28 -8.145 -10.368 -12.273 1.00 0.00 C ATOM 390 O THR A 28 -8.562 -11.448 -12.690 1.00 0.00 O ATOM 391 CB THR A 28 -8.211 -8.846 -14.249 1.00 0.00 C ATOM 392 OG1 THR A 28 -6.798 -8.613 -14.252 1.00 0.00 O ATOM 393 CG2 THR A 28 -8.924 -7.672 -14.902 1.00 0.00 C ATOM 0 H THR A 28 -7.625 -7.320 -12.343 1.00 0.00 H new ATOM 0 HA THR A 28 -9.796 -9.103 -12.808 1.00 0.00 H new ATOM 0 HB THR A 28 -8.432 -9.748 -14.820 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.490 -8.483 -15.173 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.557 -7.544 -15.920 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.997 -7.865 -14.924 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.730 -6.765 -14.330 1.00 0.00 H new ATOM 401 N ALA A 29 -7.196 -10.268 -11.347 1.00 0.00 N ATOM 402 CA ALA A 29 -6.579 -11.448 -10.755 1.00 0.00 C ATOM 403 C ALA A 29 -7.396 -11.961 -9.574 1.00 0.00 C ATOM 404 O ALA A 29 -7.802 -11.189 -8.706 1.00 0.00 O ATOM 405 CB ALA A 29 -5.155 -11.136 -10.318 1.00 0.00 C ATOM 0 H ALA A 29 -6.838 -9.382 -10.991 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.552 -12.232 -11.512 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.706 -12.026 -9.878 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.569 -10.824 -11.183 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.168 -10.334 -9.580 1.00 0.00 H new ATOM 411 N SER A 30 -7.635 -13.268 -9.549 1.00 0.00 N ATOM 412 CA SER A 30 -8.408 -13.884 -8.476 1.00 0.00 C ATOM 413 C SER A 30 -7.487 -14.493 -7.423 1.00 0.00 C ATOM 414 O SER A 30 -6.303 -14.715 -7.674 1.00 0.00 O ATOM 415 CB SER A 30 -9.337 -14.960 -9.042 1.00 0.00 C ATOM 416 OG SER A 30 -10.419 -14.379 -9.749 1.00 0.00 O ATOM 0 H SER A 30 -7.305 -13.921 -10.259 1.00 0.00 H new ATOM 0 HA SER A 30 -9.009 -13.108 -8.002 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.775 -15.617 -9.706 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.719 -15.579 -8.230 1.00 0.00 H new ATOM 0 HG SER A 30 -10.997 -15.087 -10.102 1.00 0.00 H new ATOM 422 N GLN A 31 -8.041 -14.759 -6.245 1.00 0.00 N ATOM 423 CA GLN A 31 -7.270 -15.342 -5.153 1.00 0.00 C ATOM 424 C GLN A 31 -6.240 -16.333 -5.683 1.00 0.00 C ATOM 425 O GLN A 31 -5.064 -16.272 -5.325 1.00 0.00 O ATOM 426 CB GLN A 31 -8.201 -16.038 -4.158 1.00 0.00 C ATOM 427 CG GLN A 31 -7.527 -16.395 -2.843 1.00 0.00 C ATOM 428 CD GLN A 31 -7.123 -15.173 -2.043 1.00 0.00 C ATOM 429 OE1 GLN A 31 -7.868 -14.706 -1.181 1.00 0.00 O ATOM 430 NE2 GLN A 31 -5.937 -14.646 -2.325 1.00 0.00 N ATOM 0 H GLN A 31 -9.020 -14.580 -6.022 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.743 -14.536 -4.643 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.053 -15.389 -3.956 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.593 -16.947 -4.614 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.204 -17.007 -2.247 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.644 -17.001 -3.045 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.351 -15.065 -3.047 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.612 -13.822 -1.819 1.00 0.00 H new ATOM 439 N ALA A 32 -6.689 -17.247 -6.537 1.00 0.00 N ATOM 440 CA ALA A 32 -5.806 -18.250 -7.117 1.00 0.00 C ATOM 441 C ALA A 32 -4.622 -17.598 -7.823 1.00 0.00 C ATOM 442 O ALA A 32 -3.477 -17.735 -7.391 1.00 0.00 O ATOM 443 CB ALA A 32 -6.577 -19.136 -8.085 1.00 0.00 C ATOM 0 H ALA A 32 -7.660 -17.313 -6.842 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.417 -18.867 -6.307 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.905 -19.881 -8.511 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.385 -19.638 -7.554 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.994 -18.524 -8.885 1.00 0.00 H new ATOM 449 N ASP A 33 -4.905 -16.889 -8.910 1.00 0.00 N ATOM 450 CA ASP A 33 -3.863 -16.214 -9.676 1.00 0.00 C ATOM 451 C ASP A 33 -2.870 -15.521 -8.749 1.00 0.00 C ATOM 452 O ASP A 33 -1.662 -15.548 -8.986 1.00 0.00 O ATOM 453 CB ASP A 33 -4.483 -15.195 -10.633 1.00 0.00 C ATOM 454 CG ASP A 33 -4.989 -15.835 -11.911 1.00 0.00 C ATOM 455 OD1 ASP A 33 -4.368 -16.816 -12.370 1.00 0.00 O ATOM 456 OD2 ASP A 33 -6.006 -15.354 -12.453 1.00 0.00 O ATOM 0 H ASP A 33 -5.847 -16.767 -9.281 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.328 -16.966 -10.256 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.308 -14.687 -10.133 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.742 -14.435 -10.879 1.00 0.00 H new ATOM 461 N ILE A 34 -3.387 -14.900 -7.694 1.00 0.00 N ATOM 462 CA ILE A 34 -2.546 -14.200 -6.732 1.00 0.00 C ATOM 463 C ILE A 34 -1.484 -15.129 -6.152 1.00 0.00 C ATOM 464 O ILE A 34 -0.287 -14.851 -6.236 1.00 0.00 O ATOM 465 CB ILE A 34 -3.380 -13.609 -5.580 1.00 0.00 C ATOM 466 CG1 ILE A 34 -4.406 -12.613 -6.123 1.00 0.00 C ATOM 467 CG2 ILE A 34 -2.472 -12.939 -4.559 1.00 0.00 C ATOM 468 CD1 ILE A 34 -5.580 -12.389 -5.195 1.00 0.00 C ATOM 0 H ILE A 34 -4.385 -14.868 -7.484 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.059 -13.387 -7.271 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.915 -14.419 -5.085 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.912 -11.659 -6.308 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.776 -12.972 -7.084 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.076 -12.526 -3.751 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.776 -13.674 -4.153 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.913 -12.137 -5.040 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.267 -11.672 -5.644 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.098 -13.333 -5.030 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.221 -12.000 -4.242 1.00 0.00 H new ATOM 480 N LYS A 35 -1.930 -16.234 -5.564 1.00 0.00 N ATOM 481 CA LYS A 35 -1.020 -17.207 -4.972 1.00 0.00 C ATOM 482 C LYS A 35 0.202 -17.419 -5.860 1.00 0.00 C ATOM 483 O LYS A 35 1.335 -17.174 -5.445 1.00 0.00 O ATOM 484 CB LYS A 35 -1.739 -18.539 -4.748 1.00 0.00 C ATOM 485 CG LYS A 35 -3.171 -18.383 -4.267 1.00 0.00 C ATOM 486 CD LYS A 35 -3.728 -19.695 -3.741 1.00 0.00 C ATOM 487 CE LYS A 35 -2.816 -20.306 -2.688 1.00 0.00 C ATOM 488 NZ LYS A 35 -1.798 -21.209 -3.292 1.00 0.00 N ATOM 0 H LYS A 35 -2.917 -16.478 -5.485 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.686 -16.816 -4.011 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.737 -19.105 -5.680 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.181 -19.125 -4.018 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.212 -17.628 -3.482 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.794 -18.024 -5.086 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.717 -19.527 -3.314 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.853 -20.396 -4.567 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.314 -19.511 -2.137 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.415 -20.864 -1.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.926 -21.176 -2.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.163 -22.183 -3.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.593 -20.900 -4.264 1.00 0.00 H new ATOM 502 N LYS A 36 -0.035 -17.876 -7.085 1.00 0.00 N ATOM 503 CA LYS A 36 1.045 -18.119 -8.034 1.00 0.00 C ATOM 504 C LYS A 36 1.953 -16.899 -8.149 1.00 0.00 C ATOM 505 O LYS A 36 3.170 -17.030 -8.275 1.00 0.00 O ATOM 506 CB LYS A 36 0.473 -18.474 -9.409 1.00 0.00 C ATOM 507 CG LYS A 36 -0.095 -19.880 -9.487 1.00 0.00 C ATOM 508 CD LYS A 36 -0.489 -20.244 -10.908 1.00 0.00 C ATOM 509 CE LYS A 36 -1.744 -19.505 -11.345 1.00 0.00 C ATOM 510 NZ LYS A 36 -2.170 -19.897 -12.717 1.00 0.00 N ATOM 0 H LYS A 36 -0.966 -18.086 -7.444 1.00 0.00 H new ATOM 0 HA LYS A 36 1.637 -18.957 -7.666 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.311 -17.760 -9.662 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.257 -18.366 -10.158 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.643 -20.593 -9.119 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.965 -19.958 -8.836 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.330 -20.005 -11.586 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.656 -21.319 -10.976 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.551 -19.712 -10.642 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.562 -18.431 -11.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.029 -19.371 -12.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.411 -19.676 -13.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.369 -20.918 -12.741 1.00 0.00 H new ATOM 524 N ALA A 37 1.354 -15.714 -8.103 1.00 0.00 N ATOM 525 CA ALA A 37 2.109 -14.471 -8.198 1.00 0.00 C ATOM 526 C ALA A 37 3.026 -14.293 -6.993 1.00 0.00 C ATOM 527 O ALA A 37 4.192 -13.923 -7.137 1.00 0.00 O ATOM 528 CB ALA A 37 1.163 -13.287 -8.325 1.00 0.00 C ATOM 0 H ALA A 37 0.347 -15.589 -8.000 1.00 0.00 H new ATOM 0 HA ALA A 37 2.732 -14.520 -9.091 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.741 -12.365 -8.395 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.554 -13.402 -9.222 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.515 -13.243 -7.450 1.00 0.00 H new ATOM 534 N TYR A 38 2.492 -14.556 -5.806 1.00 0.00 N ATOM 535 CA TYR A 38 3.262 -14.421 -4.575 1.00 0.00 C ATOM 536 C TYR A 38 4.445 -15.383 -4.564 1.00 0.00 C ATOM 537 O TYR A 38 5.588 -14.980 -4.346 1.00 0.00 O ATOM 538 CB TYR A 38 2.369 -14.678 -3.359 1.00 0.00 C ATOM 539 CG TYR A 38 3.125 -15.170 -2.146 1.00 0.00 C ATOM 540 CD1 TYR A 38 3.729 -14.277 -1.270 1.00 0.00 C ATOM 541 CD2 TYR A 38 3.235 -16.528 -1.875 1.00 0.00 C ATOM 542 CE1 TYR A 38 4.422 -14.722 -0.161 1.00 0.00 C ATOM 543 CE2 TYR A 38 3.925 -16.983 -0.768 1.00 0.00 C ATOM 544 CZ TYR A 38 4.516 -16.075 0.087 1.00 0.00 C ATOM 545 OH TYR A 38 5.204 -16.523 1.191 1.00 0.00 O ATOM 0 H TYR A 38 1.529 -14.864 -5.670 1.00 0.00 H new ATOM 0 HA TYR A 38 3.646 -13.402 -4.527 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.846 -13.757 -3.102 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.609 -15.412 -3.626 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.655 -13.216 -1.459 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.773 -17.241 -2.542 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.888 -14.014 0.508 1.00 0.00 H new ATOM 0 HE2 TYR A 38 4.001 -18.042 -0.573 1.00 0.00 H new ATOM 0 HH TYR A 38 5.174 -17.502 1.220 1.00 0.00 H new ATOM 555 N LYS A 39 4.163 -16.660 -4.801 1.00 0.00 N ATOM 556 CA LYS A 39 5.202 -17.683 -4.821 1.00 0.00 C ATOM 557 C LYS A 39 6.465 -17.162 -5.500 1.00 0.00 C ATOM 558 O LYS A 39 7.532 -17.104 -4.889 1.00 0.00 O ATOM 559 CB LYS A 39 4.700 -18.935 -5.544 1.00 0.00 C ATOM 560 CG LYS A 39 3.932 -19.889 -4.646 1.00 0.00 C ATOM 561 CD LYS A 39 2.449 -19.558 -4.620 1.00 0.00 C ATOM 562 CE LYS A 39 1.639 -20.681 -3.989 1.00 0.00 C ATOM 563 NZ LYS A 39 1.487 -21.840 -4.911 1.00 0.00 N ATOM 0 H LYS A 39 3.223 -17.011 -4.982 1.00 0.00 H new ATOM 0 HA LYS A 39 5.445 -17.940 -3.790 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.059 -18.633 -6.372 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.552 -19.461 -5.975 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.071 -20.912 -4.996 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.334 -19.841 -3.634 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.291 -18.635 -4.062 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.097 -19.380 -5.636 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.126 -21.009 -3.071 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.654 -20.306 -3.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.807 -22.516 -4.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.140 -21.507 -5.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.408 -22.307 -5.036 1.00 0.00 H new ATOM 577 N LYS A 40 6.336 -16.783 -6.767 1.00 0.00 N ATOM 578 CA LYS A 40 7.466 -16.265 -7.530 1.00 0.00 C ATOM 579 C LYS A 40 8.243 -15.234 -6.717 1.00 0.00 C ATOM 580 O LYS A 40 9.403 -15.452 -6.365 1.00 0.00 O ATOM 581 CB LYS A 40 6.980 -15.638 -8.838 1.00 0.00 C ATOM 582 CG LYS A 40 6.920 -16.618 -9.997 1.00 0.00 C ATOM 583 CD LYS A 40 5.875 -17.695 -9.762 1.00 0.00 C ATOM 584 CE LYS A 40 5.799 -18.662 -10.934 1.00 0.00 C ATOM 585 NZ LYS A 40 6.863 -19.701 -10.865 1.00 0.00 N ATOM 0 H LYS A 40 5.460 -16.825 -7.288 1.00 0.00 H new ATOM 0 HA LYS A 40 8.131 -17.098 -7.759 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.989 -15.213 -8.681 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.642 -14.814 -9.104 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.690 -16.081 -10.917 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.897 -17.081 -10.134 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.115 -18.244 -8.851 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.901 -17.231 -9.608 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.821 -19.144 -10.945 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.892 -18.108 -11.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.777 -20.340 -11.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.797 -19.243 -10.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.759 -20.246 -9.986 1.00 0.00 H new ATOM 599 N LEU A 41 7.597 -14.111 -6.422 1.00 0.00 N ATOM 600 CA LEU A 41 8.227 -13.046 -5.649 1.00 0.00 C ATOM 601 C LEU A 41 8.890 -13.604 -4.394 1.00 0.00 C ATOM 602 O LEU A 41 9.970 -13.163 -4.002 1.00 0.00 O ATOM 603 CB LEU A 41 7.193 -11.987 -5.266 1.00 0.00 C ATOM 604 CG LEU A 41 6.815 -10.991 -6.363 1.00 0.00 C ATOM 605 CD1 LEU A 41 5.573 -10.207 -5.967 1.00 0.00 C ATOM 606 CD2 LEU A 41 7.974 -10.047 -6.650 1.00 0.00 C ATOM 0 H LEU A 41 6.637 -13.914 -6.706 1.00 0.00 H new ATOM 0 HA LEU A 41 8.996 -12.586 -6.270 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.287 -12.495 -4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.574 -11.428 -4.411 1.00 0.00 H new ATOM 0 HG LEU A 41 6.593 -11.549 -7.273 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.319 -9.503 -6.760 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.742 -10.895 -5.813 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.767 -9.660 -5.044 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.687 -9.346 -7.433 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.227 -9.496 -5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.839 -10.623 -6.978 1.00 0.00 H new ATOM 618 N ALA A 42 8.237 -14.578 -3.768 1.00 0.00 N ATOM 619 CA ALA A 42 8.764 -15.199 -2.560 1.00 0.00 C ATOM 620 C ALA A 42 10.014 -16.018 -2.865 1.00 0.00 C ATOM 621 O ALA A 42 10.922 -16.113 -2.039 1.00 0.00 O ATOM 622 CB ALA A 42 7.703 -16.073 -1.909 1.00 0.00 C ATOM 0 H ALA A 42 7.341 -14.954 -4.078 1.00 0.00 H new ATOM 0 HA ALA A 42 9.041 -14.406 -1.865 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.111 -16.530 -1.008 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.839 -15.462 -1.647 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.397 -16.854 -2.605 1.00 0.00 H new ATOM 628 N ARG A 43 10.053 -16.609 -4.054 1.00 0.00 N ATOM 629 CA ARG A 43 11.191 -17.422 -4.467 1.00 0.00 C ATOM 630 C ARG A 43 12.371 -16.542 -4.866 1.00 0.00 C ATOM 631 O ARG A 43 13.509 -16.798 -4.474 1.00 0.00 O ATOM 632 CB ARG A 43 10.800 -18.330 -5.634 1.00 0.00 C ATOM 633 CG ARG A 43 10.024 -19.567 -5.210 1.00 0.00 C ATOM 634 CD ARG A 43 10.211 -20.707 -6.199 1.00 0.00 C ATOM 635 NE ARG A 43 9.801 -21.991 -5.637 1.00 0.00 N ATOM 636 CZ ARG A 43 10.070 -23.161 -6.205 1.00 0.00 C ATOM 637 NH1 ARG A 43 10.745 -23.209 -7.345 1.00 0.00 N ATOM 638 NH2 ARG A 43 9.664 -24.287 -5.633 1.00 0.00 N ATOM 0 H ARG A 43 9.310 -16.540 -4.749 1.00 0.00 H new ATOM 0 HA ARG A 43 11.491 -18.040 -3.620 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.199 -17.759 -6.342 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.703 -18.640 -6.160 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.354 -19.884 -4.221 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.965 -19.324 -5.129 1.00 0.00 H new ATOM 0 HD2 ARG A 43 9.632 -20.504 -7.100 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.258 -20.760 -6.498 1.00 0.00 H new ATOM 0 HE ARG A 43 9.280 -21.989 -4.760 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.059 -22.346 -7.788 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.950 -24.109 -7.779 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.144 -24.255 -4.756 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.871 -25.185 -6.070 1.00 0.00 H new ATOM 652 N GLU A 44 12.092 -15.505 -5.649 1.00 0.00 N ATOM 653 CA GLU A 44 13.131 -14.588 -6.103 1.00 0.00 C ATOM 654 C GLU A 44 13.624 -13.714 -4.954 1.00 0.00 C ATOM 655 O GLU A 44 14.821 -13.659 -4.671 1.00 0.00 O ATOM 656 CB GLU A 44 12.606 -13.708 -7.239 1.00 0.00 C ATOM 657 CG GLU A 44 12.759 -14.336 -8.615 1.00 0.00 C ATOM 658 CD GLU A 44 11.989 -13.588 -9.686 1.00 0.00 C ATOM 659 OE1 GLU A 44 10.779 -13.856 -9.842 1.00 0.00 O ATOM 660 OE2 GLU A 44 12.595 -12.735 -10.367 1.00 0.00 O ATOM 0 H GLU A 44 11.155 -15.279 -5.982 1.00 0.00 H new ATOM 0 HA GLU A 44 13.968 -15.181 -6.471 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.552 -13.492 -7.063 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.134 -12.755 -7.223 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.815 -14.362 -8.883 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.414 -15.369 -8.579 1.00 0.00 H new ATOM 667 N TRP A 45 12.694 -13.031 -4.297 1.00 0.00 N ATOM 668 CA TRP A 45 13.033 -12.157 -3.179 1.00 0.00 C ATOM 669 C TRP A 45 13.225 -12.962 -1.899 1.00 0.00 C ATOM 670 O TRP A 45 13.285 -12.401 -0.804 1.00 0.00 O ATOM 671 CB TRP A 45 11.941 -11.106 -2.976 1.00 0.00 C ATOM 672 CG TRP A 45 11.734 -10.226 -4.171 1.00 0.00 C ATOM 673 CD1 TRP A 45 10.877 -10.444 -5.212 1.00 0.00 C ATOM 674 CD2 TRP A 45 12.399 -8.989 -4.450 1.00 0.00 C ATOM 675 NE1 TRP A 45 10.969 -9.417 -6.120 1.00 0.00 N ATOM 676 CE2 TRP A 45 11.895 -8.511 -5.675 1.00 0.00 C ATOM 677 CE3 TRP A 45 13.369 -8.237 -3.782 1.00 0.00 C ATOM 678 CZ2 TRP A 45 12.331 -7.318 -6.245 1.00 0.00 C ATOM 679 CZ3 TRP A 45 13.801 -7.053 -4.349 1.00 0.00 C ATOM 680 CH2 TRP A 45 13.281 -6.602 -5.569 1.00 0.00 C ATOM 0 H TRP A 45 11.699 -13.065 -4.519 1.00 0.00 H new ATOM 0 HA TRP A 45 13.971 -11.654 -3.415 1.00 0.00 H new ATOM 0 HB2 TRP A 45 11.004 -11.608 -2.737 1.00 0.00 H new ATOM 0 HB3 TRP A 45 12.199 -10.486 -2.117 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.223 -11.298 -5.307 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.434 -9.341 -6.985 1.00 0.00 H new ATOM 0 HE3 TRP A 45 13.774 -8.575 -2.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 11.934 -6.970 -7.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 14.552 -6.465 -3.843 1.00 0.00 H new ATOM 0 HH2 TRP A 45 13.637 -5.671 -5.984 1.00 0.00 H new ATOM 691 N HIS A 46 13.323 -14.280 -2.042 1.00 0.00 N ATOM 692 CA HIS A 46 13.510 -15.162 -0.895 1.00 0.00 C ATOM 693 C HIS A 46 14.723 -14.736 -0.074 1.00 0.00 C ATOM 694 O HIS A 46 15.862 -14.774 -0.539 1.00 0.00 O ATOM 695 CB HIS A 46 13.677 -16.609 -1.360 1.00 0.00 C ATOM 696 CG HIS A 46 13.297 -17.620 -0.321 1.00 0.00 C ATOM 697 ND1 HIS A 46 13.166 -17.311 1.016 1.00 0.00 N ATOM 698 CD2 HIS A 46 13.019 -18.940 -0.430 1.00 0.00 C ATOM 699 CE1 HIS A 46 12.825 -18.398 1.685 1.00 0.00 C ATOM 700 NE2 HIS A 46 12.729 -19.400 0.830 1.00 0.00 N ATOM 0 H HIS A 46 13.276 -14.761 -2.940 1.00 0.00 H new ATOM 0 HA HIS A 46 12.624 -15.091 -0.265 1.00 0.00 H new ATOM 0 HB2 HIS A 46 13.068 -16.768 -2.250 1.00 0.00 H new ATOM 0 HB3 HIS A 46 14.715 -16.771 -1.650 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.024 -19.523 -1.339 1.00 0.00 H new ATOM 0 HE1 HIS A 46 12.654 -18.457 2.750 1.00 0.00 H new ATOM 0 HE2 HIS A 46 12.480 -20.360 1.068 1.00 0.00 H new ATOM 708 N PRO A 47 14.475 -14.320 1.177 1.00 0.00 N ATOM 709 CA PRO A 47 15.534 -13.878 2.089 1.00 0.00 C ATOM 710 C PRO A 47 16.424 -15.029 2.544 1.00 0.00 C ATOM 711 O PRO A 47 17.582 -14.825 2.907 1.00 0.00 O ATOM 712 CB PRO A 47 14.761 -13.298 3.276 1.00 0.00 C ATOM 713 CG PRO A 47 13.445 -13.995 3.248 1.00 0.00 C ATOM 714 CD PRO A 47 13.141 -14.248 1.797 1.00 0.00 C ATOM 0 HA PRO A 47 16.210 -13.166 1.615 1.00 0.00 H new ATOM 0 HB2 PRO A 47 15.284 -13.478 4.215 1.00 0.00 H new ATOM 0 HB3 PRO A 47 14.640 -12.219 3.180 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.487 -14.930 3.807 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.669 -13.383 3.708 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.583 -15.174 1.659 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.540 -13.447 1.367 1.00 0.00 H new ATOM 722 N ASP A 48 15.876 -16.239 2.521 1.00 0.00 N ATOM 723 CA ASP A 48 16.621 -17.424 2.931 1.00 0.00 C ATOM 724 C ASP A 48 17.786 -17.688 1.982 1.00 0.00 C ATOM 725 O ASP A 48 18.831 -18.197 2.390 1.00 0.00 O ATOM 726 CB ASP A 48 15.698 -18.643 2.977 1.00 0.00 C ATOM 727 CG ASP A 48 14.663 -18.544 4.080 1.00 0.00 C ATOM 728 OD1 ASP A 48 14.276 -17.410 4.429 1.00 0.00 O ATOM 729 OD2 ASP A 48 14.241 -19.601 4.594 1.00 0.00 O ATOM 0 H ASP A 48 14.919 -16.425 2.223 1.00 0.00 H new ATOM 0 HA ASP A 48 17.022 -17.244 3.929 1.00 0.00 H new ATOM 0 HB2 ASP A 48 15.193 -18.749 2.017 1.00 0.00 H new ATOM 0 HB3 ASP A 48 16.296 -19.543 3.123 1.00 0.00 H new ATOM 734 N LYS A 49 17.600 -17.340 0.713 1.00 0.00 N ATOM 735 CA LYS A 49 18.634 -17.538 -0.295 1.00 0.00 C ATOM 736 C LYS A 49 19.368 -16.233 -0.586 1.00 0.00 C ATOM 737 O LYS A 49 20.548 -16.238 -0.933 1.00 0.00 O ATOM 738 CB LYS A 49 18.019 -18.088 -1.584 1.00 0.00 C ATOM 739 CG LYS A 49 19.047 -18.436 -2.648 1.00 0.00 C ATOM 740 CD LYS A 49 18.469 -19.372 -3.696 1.00 0.00 C ATOM 741 CE LYS A 49 19.447 -19.601 -4.838 1.00 0.00 C ATOM 742 NZ LYS A 49 19.046 -20.756 -5.689 1.00 0.00 N ATOM 0 H LYS A 49 16.741 -16.919 0.358 1.00 0.00 H new ATOM 0 HA LYS A 49 19.353 -18.259 0.095 1.00 0.00 H new ATOM 0 HB2 LYS A 49 17.437 -18.979 -1.348 1.00 0.00 H new ATOM 0 HB3 LYS A 49 17.325 -17.352 -1.989 1.00 0.00 H new ATOM 0 HG2 LYS A 49 19.398 -17.523 -3.128 1.00 0.00 H new ATOM 0 HG3 LYS A 49 19.913 -18.903 -2.179 1.00 0.00 H new ATOM 0 HD2 LYS A 49 18.218 -20.327 -3.234 1.00 0.00 H new ATOM 0 HD3 LYS A 49 17.542 -18.953 -4.088 1.00 0.00 H new ATOM 0 HE2 LYS A 49 19.506 -18.702 -5.451 1.00 0.00 H new ATOM 0 HE3 LYS A 49 20.443 -19.777 -4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 19.738 -20.879 -6.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 19.014 -21.619 -5.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 18.106 -20.577 -6.096 1.00 0.00 H new ATOM 756 N ASN A 50 18.661 -15.117 -0.440 1.00 0.00 N ATOM 757 CA ASN A 50 19.247 -13.804 -0.686 1.00 0.00 C ATOM 758 C ASN A 50 20.126 -13.373 0.483 1.00 0.00 C ATOM 759 O ASN A 50 19.643 -13.175 1.598 1.00 0.00 O ATOM 760 CB ASN A 50 18.146 -12.768 -0.921 1.00 0.00 C ATOM 761 CG ASN A 50 17.759 -12.656 -2.383 1.00 0.00 C ATOM 762 OD1 ASN A 50 18.619 -12.603 -3.262 1.00 0.00 O ATOM 763 ND2 ASN A 50 16.459 -12.621 -2.650 1.00 0.00 N ATOM 0 H ASN A 50 17.682 -15.095 -0.153 1.00 0.00 H new ATOM 0 HA ASN A 50 19.869 -13.872 -1.578 1.00 0.00 H new ATOM 0 HB2 ASN A 50 17.267 -13.037 -0.335 1.00 0.00 H new ATOM 0 HB3 ASN A 50 18.483 -11.796 -0.562 1.00 0.00 H new ATOM 0 HD21 ASN A 50 16.138 -12.547 -3.616 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.781 -12.668 -1.890 1.00 0.00 H new ATOM 770 N LYS A 51 21.421 -13.227 0.221 1.00 0.00 N ATOM 771 CA LYS A 51 22.369 -12.817 1.250 1.00 0.00 C ATOM 772 C LYS A 51 22.613 -11.313 1.197 1.00 0.00 C ATOM 773 O LYS A 51 22.837 -10.674 2.225 1.00 0.00 O ATOM 774 CB LYS A 51 23.693 -13.566 1.080 1.00 0.00 C ATOM 775 CG LYS A 51 23.685 -14.960 1.683 1.00 0.00 C ATOM 776 CD LYS A 51 23.139 -15.987 0.705 1.00 0.00 C ATOM 777 CE LYS A 51 24.231 -16.521 -0.210 1.00 0.00 C ATOM 778 NZ LYS A 51 24.920 -17.702 0.380 1.00 0.00 N ATOM 0 H LYS A 51 21.838 -13.387 -0.696 1.00 0.00 H new ATOM 0 HA LYS A 51 21.941 -13.063 2.222 1.00 0.00 H new ATOM 0 HB2 LYS A 51 23.925 -13.640 0.018 1.00 0.00 H new ATOM 0 HB3 LYS A 51 24.492 -12.984 1.541 1.00 0.00 H new ATOM 0 HG2 LYS A 51 24.698 -15.237 1.975 1.00 0.00 H new ATOM 0 HG3 LYS A 51 23.080 -14.962 2.590 1.00 0.00 H new ATOM 0 HD2 LYS A 51 22.689 -16.813 1.256 1.00 0.00 H new ATOM 0 HD3 LYS A 51 22.349 -15.536 0.105 1.00 0.00 H new ATOM 0 HE2 LYS A 51 23.797 -16.796 -1.171 1.00 0.00 H new ATOM 0 HE3 LYS A 51 24.960 -15.734 -0.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 25.657 -18.036 -0.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 25.356 -17.433 1.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 24.229 -18.462 0.541 1.00 0.00 H new ATOM 792 N ASP A 52 22.567 -10.753 -0.007 1.00 0.00 N ATOM 793 CA ASP A 52 22.780 -9.323 -0.194 1.00 0.00 C ATOM 794 C ASP A 52 21.806 -8.512 0.655 1.00 0.00 C ATOM 795 O ASP A 52 20.640 -8.871 0.818 1.00 0.00 O ATOM 796 CB ASP A 52 22.622 -8.950 -1.669 1.00 0.00 C ATOM 797 CG ASP A 52 23.885 -9.203 -2.469 1.00 0.00 C ATOM 798 OD1 ASP A 52 24.958 -8.714 -2.055 1.00 0.00 O ATOM 799 OD2 ASP A 52 23.802 -9.891 -3.508 1.00 0.00 O ATOM 0 H ASP A 52 22.384 -11.268 -0.868 1.00 0.00 H new ATOM 0 HA ASP A 52 23.795 -9.088 0.126 1.00 0.00 H new ATOM 0 HB2 ASP A 52 21.801 -9.524 -2.100 1.00 0.00 H new ATOM 0 HB3 ASP A 52 22.351 -7.897 -1.747 1.00 0.00 H new ATOM 804 N PRO A 53 22.294 -7.393 1.210 1.00 0.00 N ATOM 805 CA PRO A 53 21.483 -6.509 2.053 1.00 0.00 C ATOM 806 C PRO A 53 20.418 -5.765 1.255 1.00 0.00 C ATOM 807 O PRO A 53 20.732 -4.987 0.355 1.00 0.00 O ATOM 808 CB PRO A 53 22.508 -5.525 2.623 1.00 0.00 C ATOM 809 CG PRO A 53 23.617 -5.514 1.629 1.00 0.00 C ATOM 810 CD PRO A 53 23.675 -6.904 1.058 1.00 0.00 C ATOM 0 HA PRO A 53 20.933 -7.062 2.814 1.00 0.00 H new ATOM 0 HB2 PRO A 53 22.077 -4.531 2.746 1.00 0.00 H new ATOM 0 HB3 PRO A 53 22.859 -5.844 3.604 1.00 0.00 H new ATOM 0 HG2 PRO A 53 23.432 -4.778 0.846 1.00 0.00 H new ATOM 0 HG3 PRO A 53 24.562 -5.246 2.102 1.00 0.00 H new ATOM 0 HD2 PRO A 53 23.986 -6.897 0.013 1.00 0.00 H new ATOM 0 HD3 PRO A 53 24.385 -7.531 1.598 1.00 0.00 H new ATOM 818 N GLY A 54 19.154 -6.010 1.591 1.00 0.00 N ATOM 819 CA GLY A 54 18.062 -5.355 0.896 1.00 0.00 C ATOM 820 C GLY A 54 17.003 -6.334 0.427 1.00 0.00 C ATOM 821 O GLY A 54 15.808 -6.081 0.571 1.00 0.00 O ATOM 0 H GLY A 54 18.868 -6.650 2.332 1.00 0.00 H new ATOM 0 HA2 GLY A 54 17.605 -4.619 1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 54 18.456 -4.812 0.037 1.00 0.00 H new ATOM 825 N ALA A 55 17.444 -7.454 -0.136 1.00 0.00 N ATOM 826 CA ALA A 55 16.525 -8.474 -0.628 1.00 0.00 C ATOM 827 C ALA A 55 15.408 -8.735 0.376 1.00 0.00 C ATOM 828 O ALA A 55 14.248 -8.898 -0.002 1.00 0.00 O ATOM 829 CB ALA A 55 17.279 -9.761 -0.929 1.00 0.00 C ATOM 0 H ALA A 55 18.431 -7.678 -0.263 1.00 0.00 H new ATOM 0 HA ALA A 55 16.072 -8.108 -1.549 1.00 0.00 H new ATOM 0 HB1 ALA A 55 16.581 -10.514 -1.295 1.00 0.00 H new ATOM 0 HB2 ALA A 55 18.038 -9.569 -1.688 1.00 0.00 H new ATOM 0 HB3 ALA A 55 17.759 -10.123 -0.020 1.00 0.00 H new ATOM 835 N GLU A 56 15.765 -8.775 1.656 1.00 0.00 N ATOM 836 CA GLU A 56 14.790 -9.018 2.713 1.00 0.00 C ATOM 837 C GLU A 56 13.720 -7.931 2.728 1.00 0.00 C ATOM 838 O GLU A 56 12.526 -8.219 2.640 1.00 0.00 O ATOM 839 CB GLU A 56 15.487 -9.083 4.074 1.00 0.00 C ATOM 840 CG GLU A 56 14.582 -9.556 5.199 1.00 0.00 C ATOM 841 CD GLU A 56 15.075 -9.123 6.566 1.00 0.00 C ATOM 842 OE1 GLU A 56 15.866 -9.873 7.175 1.00 0.00 O ATOM 843 OE2 GLU A 56 14.670 -8.036 7.026 1.00 0.00 O ATOM 0 H GLU A 56 16.721 -8.642 1.986 1.00 0.00 H new ATOM 0 HA GLU A 56 14.307 -9.975 2.514 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.344 -9.753 4.002 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.875 -8.095 4.322 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.577 -9.166 5.039 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.511 -10.643 5.170 1.00 0.00 H new ATOM 850 N ASP A 57 14.157 -6.681 2.840 1.00 0.00 N ATOM 851 CA ASP A 57 13.237 -5.549 2.866 1.00 0.00 C ATOM 852 C ASP A 57 12.052 -5.791 1.936 1.00 0.00 C ATOM 853 O ASP A 57 10.905 -5.849 2.379 1.00 0.00 O ATOM 854 CB ASP A 57 13.964 -4.265 2.463 1.00 0.00 C ATOM 855 CG ASP A 57 13.008 -3.124 2.177 1.00 0.00 C ATOM 856 OD1 ASP A 57 12.460 -3.077 1.056 1.00 0.00 O ATOM 857 OD2 ASP A 57 12.808 -2.278 3.073 1.00 0.00 O ATOM 0 H ASP A 57 15.142 -6.426 2.914 1.00 0.00 H new ATOM 0 HA ASP A 57 12.861 -5.440 3.883 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.647 -3.972 3.261 1.00 0.00 H new ATOM 0 HB3 ASP A 57 14.571 -4.457 1.578 1.00 0.00 H new ATOM 862 N ARG A 58 12.338 -5.929 0.645 1.00 0.00 N ATOM 863 CA ARG A 58 11.296 -6.161 -0.347 1.00 0.00 C ATOM 864 C ARG A 58 10.419 -7.345 0.051 1.00 0.00 C ATOM 865 O ARG A 58 9.198 -7.222 0.149 1.00 0.00 O ATOM 866 CB ARG A 58 11.918 -6.414 -1.722 1.00 0.00 C ATOM 867 CG ARG A 58 10.952 -6.202 -2.876 1.00 0.00 C ATOM 868 CD ARG A 58 10.797 -4.726 -3.208 1.00 0.00 C ATOM 869 NE ARG A 58 10.260 -4.521 -4.551 1.00 0.00 N ATOM 870 CZ ARG A 58 10.144 -3.327 -5.121 1.00 0.00 C ATOM 871 NH1 ARG A 58 10.526 -2.237 -4.470 1.00 0.00 N ATOM 872 NH2 ARG A 58 9.645 -3.221 -6.347 1.00 0.00 N ATOM 0 H ARG A 58 13.282 -5.884 0.262 1.00 0.00 H new ATOM 0 HA ARG A 58 10.672 -5.269 -0.396 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.775 -5.753 -1.851 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.295 -7.436 -1.758 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.310 -6.738 -3.755 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.980 -6.623 -2.620 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.137 -4.258 -2.478 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.765 -4.232 -3.125 1.00 0.00 H new ATOM 0 HE ARG A 58 9.958 -5.339 -5.080 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.910 -2.314 -3.528 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.435 -1.322 -4.911 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.350 -4.057 -6.852 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.556 -2.304 -6.784 1.00 0.00 H new ATOM 886 N PHE A 59 11.051 -8.492 0.280 1.00 0.00 N ATOM 887 CA PHE A 59 10.329 -9.698 0.667 1.00 0.00 C ATOM 888 C PHE A 59 9.276 -9.386 1.726 1.00 0.00 C ATOM 889 O PHE A 59 8.097 -9.698 1.555 1.00 0.00 O ATOM 890 CB PHE A 59 11.303 -10.753 1.196 1.00 0.00 C ATOM 891 CG PHE A 59 10.639 -11.827 2.010 1.00 0.00 C ATOM 892 CD1 PHE A 59 10.407 -11.644 3.364 1.00 0.00 C ATOM 893 CD2 PHE A 59 10.247 -13.019 1.422 1.00 0.00 C ATOM 894 CE1 PHE A 59 9.797 -12.631 4.115 1.00 0.00 C ATOM 895 CE2 PHE A 59 9.637 -14.009 2.168 1.00 0.00 C ATOM 896 CZ PHE A 59 9.410 -13.814 3.517 1.00 0.00 C ATOM 0 H PHE A 59 12.061 -8.611 0.204 1.00 0.00 H new ATOM 0 HA PHE A 59 9.825 -10.089 -0.217 1.00 0.00 H new ATOM 0 HB2 PHE A 59 11.820 -11.214 0.354 1.00 0.00 H new ATOM 0 HB3 PHE A 59 12.062 -10.262 1.806 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.706 -10.720 3.837 1.00 0.00 H new ATOM 0 HD2 PHE A 59 10.420 -13.176 0.368 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.623 -12.477 5.170 1.00 0.00 H new ATOM 0 HE2 PHE A 59 9.338 -14.934 1.697 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.931 -14.585 4.102 1.00 0.00 H new ATOM 906 N ILE A 60 9.710 -8.769 2.820 1.00 0.00 N ATOM 907 CA ILE A 60 8.805 -8.414 3.906 1.00 0.00 C ATOM 908 C ILE A 60 7.523 -7.785 3.371 1.00 0.00 C ATOM 909 O ILE A 60 6.424 -8.133 3.799 1.00 0.00 O ATOM 910 CB ILE A 60 9.469 -7.437 4.895 1.00 0.00 C ATOM 911 CG1 ILE A 60 10.729 -8.064 5.496 1.00 0.00 C ATOM 912 CG2 ILE A 60 8.489 -7.048 5.992 1.00 0.00 C ATOM 913 CD1 ILE A 60 11.677 -7.052 6.101 1.00 0.00 C ATOM 0 H ILE A 60 10.682 -8.505 2.978 1.00 0.00 H new ATOM 0 HA ILE A 60 8.562 -9.339 4.429 1.00 0.00 H new ATOM 0 HB ILE A 60 9.757 -6.535 4.355 1.00 0.00 H new ATOM 0 HG12 ILE A 60 10.438 -8.781 6.263 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.253 -8.622 4.720 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.972 -6.357 6.683 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.618 -6.567 5.548 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.174 -7.941 6.532 1.00 0.00 H new ATOM 0 HD11 ILE A 60 12.547 -7.567 6.508 1.00 0.00 H new ATOM 0 HD12 ILE A 60 11.998 -6.349 5.332 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.170 -6.510 6.899 1.00 0.00 H new ATOM 925 N GLN A 61 7.674 -6.858 2.430 1.00 0.00 N ATOM 926 CA GLN A 61 6.528 -6.181 1.835 1.00 0.00 C ATOM 927 C GLN A 61 5.658 -7.164 1.058 1.00 0.00 C ATOM 928 O GLN A 61 4.433 -7.159 1.186 1.00 0.00 O ATOM 929 CB GLN A 61 6.996 -5.055 0.911 1.00 0.00 C ATOM 930 CG GLN A 61 7.177 -3.722 1.619 1.00 0.00 C ATOM 931 CD GLN A 61 7.599 -2.613 0.676 1.00 0.00 C ATOM 932 OE1 GLN A 61 8.722 -2.115 0.749 1.00 0.00 O ATOM 933 NE2 GLN A 61 6.698 -2.220 -0.217 1.00 0.00 N ATOM 0 H GLN A 61 8.578 -6.559 2.064 1.00 0.00 H new ATOM 0 HA GLN A 61 5.931 -5.755 2.642 1.00 0.00 H new ATOM 0 HB2 GLN A 61 7.941 -5.343 0.450 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.272 -4.933 0.105 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.242 -3.444 2.106 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.925 -3.831 2.404 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.779 -2.661 -0.242 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.925 -1.477 -0.878 1.00 0.00 H new ATOM 942 N ILE A 62 6.299 -8.004 0.253 1.00 0.00 N ATOM 943 CA ILE A 62 5.583 -8.993 -0.544 1.00 0.00 C ATOM 944 C ILE A 62 4.708 -9.879 0.335 1.00 0.00 C ATOM 945 O ILE A 62 3.487 -9.908 0.184 1.00 0.00 O ATOM 946 CB ILE A 62 6.555 -9.882 -1.343 1.00 0.00 C ATOM 947 CG1 ILE A 62 7.304 -9.048 -2.384 1.00 0.00 C ATOM 948 CG2 ILE A 62 5.801 -11.022 -2.012 1.00 0.00 C ATOM 949 CD1 ILE A 62 8.649 -9.626 -2.767 1.00 0.00 C ATOM 0 H ILE A 62 7.312 -8.020 0.135 1.00 0.00 H new ATOM 0 HA ILE A 62 4.952 -8.440 -1.240 1.00 0.00 H new ATOM 0 HB ILE A 62 7.284 -10.309 -0.654 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.688 -8.959 -3.279 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.448 -8.040 -1.995 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.501 -11.641 -2.573 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.309 -11.628 -1.252 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.053 -10.614 -2.691 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.123 -8.983 -3.508 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.283 -9.689 -1.883 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.511 -10.623 -3.186 1.00 0.00 H new ATOM 961 N SER A 63 5.340 -10.599 1.256 1.00 0.00 N ATOM 962 CA SER A 63 4.619 -11.487 2.160 1.00 0.00 C ATOM 963 C SER A 63 3.444 -10.764 2.811 1.00 0.00 C ATOM 964 O SER A 63 2.331 -11.287 2.868 1.00 0.00 O ATOM 965 CB SER A 63 5.561 -12.026 3.238 1.00 0.00 C ATOM 966 OG SER A 63 5.123 -13.287 3.714 1.00 0.00 O ATOM 0 H SER A 63 6.350 -10.585 1.396 1.00 0.00 H new ATOM 0 HA SER A 63 4.231 -12.321 1.576 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.569 -12.117 2.832 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.613 -11.319 4.066 1.00 0.00 H new ATOM 0 HG SER A 63 4.480 -13.157 4.442 1.00 0.00 H new ATOM 972 N LYS A 64 3.700 -9.555 3.301 1.00 0.00 N ATOM 973 CA LYS A 64 2.665 -8.757 3.947 1.00 0.00 C ATOM 974 C LYS A 64 1.562 -8.393 2.959 1.00 0.00 C ATOM 975 O LYS A 64 0.383 -8.371 3.311 1.00 0.00 O ATOM 976 CB LYS A 64 3.271 -7.484 4.542 1.00 0.00 C ATOM 977 CG LYS A 64 3.932 -7.698 5.892 1.00 0.00 C ATOM 978 CD LYS A 64 3.992 -6.409 6.694 1.00 0.00 C ATOM 979 CE LYS A 64 4.115 -6.685 8.185 1.00 0.00 C ATOM 980 NZ LYS A 64 2.846 -7.217 8.757 1.00 0.00 N ATOM 0 H LYS A 64 4.616 -9.107 3.263 1.00 0.00 H new ATOM 0 HA LYS A 64 2.229 -9.354 4.748 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.008 -7.083 3.846 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.488 -6.733 4.645 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.379 -8.451 6.453 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.941 -8.085 5.747 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.842 -5.812 6.362 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.095 -5.820 6.505 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.919 -7.401 8.357 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.390 -5.766 8.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.873 -7.138 9.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.043 -6.669 8.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.736 -8.216 8.489 1.00 0.00 H new ATOM 994 N ALA A 65 1.952 -8.110 1.720 1.00 0.00 N ATOM 995 CA ALA A 65 0.996 -7.752 0.681 1.00 0.00 C ATOM 996 C ALA A 65 0.056 -8.913 0.375 1.00 0.00 C ATOM 997 O ALA A 65 -1.165 -8.760 0.401 1.00 0.00 O ATOM 998 CB ALA A 65 1.726 -7.315 -0.581 1.00 0.00 C ATOM 0 H ALA A 65 2.924 -8.122 1.412 1.00 0.00 H new ATOM 0 HA ALA A 65 0.395 -6.919 1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.999 -7.051 -1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.350 -6.450 -0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.352 -8.132 -0.940 1.00 0.00 H new ATOM 1004 N TYR A 66 0.633 -10.074 0.084 1.00 0.00 N ATOM 1005 CA TYR A 66 -0.153 -11.261 -0.230 1.00 0.00 C ATOM 1006 C TYR A 66 -0.938 -11.733 0.990 1.00 0.00 C ATOM 1007 O TYR A 66 -2.134 -12.009 0.903 1.00 0.00 O ATOM 1008 CB TYR A 66 0.757 -12.384 -0.730 1.00 0.00 C ATOM 1009 CG TYR A 66 0.033 -13.690 -0.966 1.00 0.00 C ATOM 1010 CD1 TYR A 66 -1.184 -13.722 -1.635 1.00 0.00 C ATOM 1011 CD2 TYR A 66 0.566 -14.893 -0.518 1.00 0.00 C ATOM 1012 CE1 TYR A 66 -1.850 -14.913 -1.852 1.00 0.00 C ATOM 1013 CE2 TYR A 66 -0.092 -16.089 -0.732 1.00 0.00 C ATOM 1014 CZ TYR A 66 -1.299 -16.094 -1.399 1.00 0.00 C ATOM 1015 OH TYR A 66 -1.958 -17.283 -1.613 1.00 0.00 O ATOM 0 H TYR A 66 1.642 -10.218 0.059 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.861 -10.999 -1.016 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.232 -12.069 -1.659 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.553 -12.546 -0.003 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.617 -12.799 -1.992 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.510 -14.893 0.006 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.796 -14.919 -2.373 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.337 -17.015 -0.379 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.574 -17.978 -1.039 1.00 0.00 H new ATOM 1025 N GLU A 67 -0.255 -11.821 2.128 1.00 0.00 N ATOM 1026 CA GLU A 67 -0.888 -12.260 3.366 1.00 0.00 C ATOM 1027 C GLU A 67 -2.303 -11.699 3.482 1.00 0.00 C ATOM 1028 O GLU A 67 -3.257 -12.438 3.725 1.00 0.00 O ATOM 1029 CB GLU A 67 -0.054 -11.825 4.573 1.00 0.00 C ATOM 1030 CG GLU A 67 1.021 -12.826 4.962 1.00 0.00 C ATOM 1031 CD GLU A 67 1.854 -12.359 6.140 1.00 0.00 C ATOM 1032 OE1 GLU A 67 1.267 -11.834 7.110 1.00 0.00 O ATOM 1033 OE2 GLU A 67 3.091 -12.517 6.092 1.00 0.00 O ATOM 0 H GLU A 67 0.735 -11.594 2.218 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.948 -13.348 3.348 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.416 -10.867 4.353 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.717 -11.667 5.424 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.553 -13.779 5.208 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.674 -13.003 4.107 1.00 0.00 H new ATOM 1040 N ILE A 68 -2.429 -10.388 3.308 1.00 0.00 N ATOM 1041 CA ILE A 68 -3.725 -9.727 3.393 1.00 0.00 C ATOM 1042 C ILE A 68 -4.745 -10.398 2.479 1.00 0.00 C ATOM 1043 O ILE A 68 -5.826 -10.790 2.918 1.00 0.00 O ATOM 1044 CB ILE A 68 -3.623 -8.236 3.024 1.00 0.00 C ATOM 1045 CG1 ILE A 68 -2.640 -7.523 3.955 1.00 0.00 C ATOM 1046 CG2 ILE A 68 -4.994 -7.579 3.089 1.00 0.00 C ATOM 1047 CD1 ILE A 68 -1.938 -6.350 3.309 1.00 0.00 C ATOM 0 H ILE A 68 -1.649 -9.762 3.107 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.056 -9.814 4.428 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.251 -8.155 2.003 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.176 -7.174 4.837 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.893 -8.239 4.298 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.905 -6.525 2.826 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.668 -8.073 2.389 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.393 -7.668 4.100 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.257 -5.893 4.027 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.374 -6.696 2.443 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.677 -5.614 2.991 1.00 0.00 H new ATOM 1059 N LEU A 69 -4.392 -10.528 1.204 1.00 0.00 N ATOM 1060 CA LEU A 69 -5.275 -11.153 0.226 1.00 0.00 C ATOM 1061 C LEU A 69 -5.491 -12.627 0.552 1.00 0.00 C ATOM 1062 O LEU A 69 -6.615 -13.057 0.813 1.00 0.00 O ATOM 1063 CB LEU A 69 -4.693 -11.010 -1.181 1.00 0.00 C ATOM 1064 CG LEU A 69 -4.286 -9.596 -1.598 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -3.461 -9.633 -2.875 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -5.517 -8.719 -1.781 1.00 0.00 C ATOM 0 H LEU A 69 -3.501 -10.209 0.824 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.239 -10.646 0.267 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.818 -11.656 -1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.427 -11.381 -1.896 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.673 -9.166 -0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.180 -8.618 -3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.561 -10.226 -2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.049 -10.082 -3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.209 -7.716 -2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.156 -9.146 -2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.069 -8.666 -0.842 1.00 0.00 H new ATOM 1078 N SER A 70 -4.407 -13.396 0.536 1.00 0.00 N ATOM 1079 CA SER A 70 -4.478 -14.823 0.828 1.00 0.00 C ATOM 1080 C SER A 70 -5.475 -15.099 1.950 1.00 0.00 C ATOM 1081 O SER A 70 -6.317 -15.989 1.842 1.00 0.00 O ATOM 1082 CB SER A 70 -3.097 -15.356 1.214 1.00 0.00 C ATOM 1083 OG SER A 70 -3.084 -16.773 1.235 1.00 0.00 O ATOM 0 H SER A 70 -3.469 -13.055 0.324 1.00 0.00 H new ATOM 0 HA SER A 70 -4.819 -15.336 -0.071 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.353 -14.993 0.505 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.817 -14.972 2.195 1.00 0.00 H new ATOM 0 HG SER A 70 -2.685 -17.109 0.405 1.00 0.00 H new ATOM 1089 N ASN A 71 -5.370 -14.329 3.028 1.00 0.00 N ATOM 1090 CA ASN A 71 -6.261 -14.490 4.172 1.00 0.00 C ATOM 1091 C ASN A 71 -7.634 -13.893 3.880 1.00 0.00 C ATOM 1092 O ASN A 71 -7.766 -12.687 3.675 1.00 0.00 O ATOM 1093 CB ASN A 71 -5.657 -13.827 5.412 1.00 0.00 C ATOM 1094 CG ASN A 71 -4.773 -14.774 6.200 1.00 0.00 C ATOM 1095 OD1 ASN A 71 -5.215 -15.393 7.168 1.00 0.00 O ATOM 1096 ND2 ASN A 71 -3.515 -14.889 5.789 1.00 0.00 N ATOM 0 H ASN A 71 -4.677 -13.588 3.134 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.381 -15.557 4.361 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.074 -12.958 5.108 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.460 -13.464 6.054 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.872 -15.510 6.281 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.192 -14.357 4.981 1.00 0.00 H new ATOM 1103 N GLU A 72 -8.653 -14.747 3.863 1.00 0.00 N ATOM 1104 CA GLU A 72 -10.016 -14.303 3.596 1.00 0.00 C ATOM 1105 C GLU A 72 -10.429 -13.201 4.567 1.00 0.00 C ATOM 1106 O GLU A 72 -11.081 -12.231 4.180 1.00 0.00 O ATOM 1107 CB GLU A 72 -10.989 -15.480 3.700 1.00 0.00 C ATOM 1108 CG GLU A 72 -12.450 -15.069 3.636 1.00 0.00 C ATOM 1109 CD GLU A 72 -13.359 -16.210 3.221 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -12.885 -17.118 2.508 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -14.546 -16.194 3.612 1.00 0.00 O ATOM 0 H GLU A 72 -8.560 -15.749 4.031 1.00 0.00 H new ATOM 0 HA GLU A 72 -10.048 -13.902 2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.783 -16.184 2.893 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.809 -16.007 4.637 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.762 -14.697 4.612 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.561 -14.246 2.931 1.00 0.00 H new ATOM 1118 N GLU A 73 -10.046 -13.358 5.830 1.00 0.00 N ATOM 1119 CA GLU A 73 -10.378 -12.377 6.857 1.00 0.00 C ATOM 1120 C GLU A 73 -9.816 -11.004 6.499 1.00 0.00 C ATOM 1121 O GLU A 73 -10.561 -10.035 6.351 1.00 0.00 O ATOM 1122 CB GLU A 73 -9.835 -12.824 8.216 1.00 0.00 C ATOM 1123 CG GLU A 73 -10.664 -12.338 9.392 1.00 0.00 C ATOM 1124 CD GLU A 73 -9.985 -12.584 10.726 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -9.038 -11.840 11.056 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -10.401 -13.520 11.439 1.00 0.00 O ATOM 0 H GLU A 73 -9.506 -14.155 6.167 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.464 -12.303 6.915 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.790 -13.913 8.239 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.814 -12.460 8.327 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.858 -11.271 9.279 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.631 -12.841 9.383 1.00 0.00 H new ATOM 1133 N LYS A 74 -8.497 -10.928 6.362 1.00 0.00 N ATOM 1134 CA LYS A 74 -7.833 -9.676 6.021 1.00 0.00 C ATOM 1135 C LYS A 74 -8.371 -9.114 4.709 1.00 0.00 C ATOM 1136 O LYS A 74 -8.820 -7.970 4.651 1.00 0.00 O ATOM 1137 CB LYS A 74 -6.321 -9.888 5.916 1.00 0.00 C ATOM 1138 CG LYS A 74 -5.631 -10.024 7.262 1.00 0.00 C ATOM 1139 CD LYS A 74 -5.786 -11.425 7.829 1.00 0.00 C ATOM 1140 CE LYS A 74 -5.013 -11.590 9.128 1.00 0.00 C ATOM 1141 NZ LYS A 74 -3.595 -11.975 8.885 1.00 0.00 N ATOM 0 H LYS A 74 -7.866 -11.720 6.482 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.038 -8.958 6.815 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.128 -10.784 5.326 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.882 -9.050 5.375 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.572 -9.789 7.154 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.049 -9.299 7.961 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.842 -11.633 8.004 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.434 -12.155 7.100 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.045 -10.657 9.690 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.495 -12.350 9.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.102 -12.078 9.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.564 -12.878 8.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.127 -11.238 8.319 1.00 0.00 H new ATOM 1155 N ARG A 75 -8.324 -9.928 3.659 1.00 0.00 N ATOM 1156 CA ARG A 75 -8.807 -9.512 2.348 1.00 0.00 C ATOM 1157 C ARG A 75 -10.146 -8.791 2.466 1.00 0.00 C ATOM 1158 O ARG A 75 -10.309 -7.675 1.970 1.00 0.00 O ATOM 1159 CB ARG A 75 -8.947 -10.724 1.425 1.00 0.00 C ATOM 1160 CG ARG A 75 -9.068 -10.358 -0.046 1.00 0.00 C ATOM 1161 CD ARG A 75 -9.725 -11.473 -0.844 1.00 0.00 C ATOM 1162 NE ARG A 75 -11.106 -11.705 -0.427 1.00 0.00 N ATOM 1163 CZ ARG A 75 -12.002 -12.341 -1.174 1.00 0.00 C ATOM 1164 NH1 ARG A 75 -11.664 -12.806 -2.368 1.00 0.00 N ATOM 1165 NH2 ARG A 75 -13.239 -12.513 -0.725 1.00 0.00 N ATOM 0 H ARG A 75 -7.956 -10.879 3.691 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.079 -8.822 1.922 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -8.082 -11.374 1.559 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.826 -11.297 1.722 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.652 -9.443 -0.148 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.078 -10.152 -0.454 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -9.704 -11.221 -1.904 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -9.151 -12.392 -0.724 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.398 -11.360 0.487 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.714 -12.676 -2.716 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.354 -13.294 -2.939 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.502 -12.157 0.194 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.927 -13.001 -1.299 1.00 0.00 H new ATOM 1179 N THR A 76 -11.104 -9.435 3.125 1.00 0.00 N ATOM 1180 CA THR A 76 -12.429 -8.857 3.307 1.00 0.00 C ATOM 1181 C THR A 76 -12.359 -7.563 4.109 1.00 0.00 C ATOM 1182 O THR A 76 -12.713 -6.494 3.613 1.00 0.00 O ATOM 1183 CB THR A 76 -13.377 -9.839 4.020 1.00 0.00 C ATOM 1184 OG1 THR A 76 -13.460 -11.064 3.282 1.00 0.00 O ATOM 1185 CG2 THR A 76 -14.766 -9.237 4.171 1.00 0.00 C ATOM 0 H THR A 76 -10.986 -10.358 3.542 1.00 0.00 H new ATOM 0 HA THR A 76 -12.820 -8.644 2.312 1.00 0.00 H new ATOM 0 HB THR A 76 -12.975 -10.040 5.013 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.677 -11.619 3.480 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.418 -9.949 4.677 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.704 -8.321 4.758 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.173 -9.009 3.186 1.00 0.00 H new