USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 499 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 ASN : amide:sc=-0.00345 X(o=-0.011,f=-0.015) USER MOD Set 1.2: A 74 LYS NZ :NH3+ -128:sc=-0.00792 (180deg=-0.089) USER MOD Set 2.1: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 70 SER OG : rot 118:sc= 1.67 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 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0509) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -4.08! X(o=-4.1!,f=-4.6) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -2.07 X(o=-2.1,f=-2.6!) 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 76 THR OG1 : rot 77:sc= 0.546 USER MOD ----------------------------------------------------------------- ATOM 191 N ASP A 16 -0.429 2.893 4.222 1.00 0.00 N ATOM 192 CA ASP A 16 1.012 2.981 4.017 1.00 0.00 C ATOM 193 C ASP A 16 1.401 2.423 2.652 1.00 0.00 C ATOM 194 O ASP A 16 2.099 3.078 1.878 1.00 0.00 O ATOM 195 CB ASP A 16 1.752 2.225 5.121 1.00 0.00 C ATOM 196 CG ASP A 16 1.495 2.809 6.496 1.00 0.00 C ATOM 197 OD1 ASP A 16 1.743 4.019 6.681 1.00 0.00 O ATOM 198 OD2 ASP A 16 1.047 2.057 7.387 1.00 0.00 O ATOM 0 HA ASP A 16 1.297 4.033 4.054 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.444 1.179 5.110 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.822 2.244 4.916 1.00 0.00 H new ATOM 203 N PHE A 17 0.947 1.208 2.363 1.00 0.00 N ATOM 204 CA PHE A 17 1.249 0.560 1.092 1.00 0.00 C ATOM 205 C PHE A 17 0.136 -0.405 0.695 1.00 0.00 C ATOM 206 O PHE A 17 -0.450 -1.076 1.544 1.00 0.00 O ATOM 207 CB PHE A 17 2.581 -0.188 1.181 1.00 0.00 C ATOM 208 CG PHE A 17 2.502 -1.460 1.976 1.00 0.00 C ATOM 209 CD1 PHE A 17 1.773 -2.541 1.508 1.00 0.00 C ATOM 210 CD2 PHE A 17 3.158 -1.575 3.192 1.00 0.00 C ATOM 211 CE1 PHE A 17 1.699 -3.712 2.237 1.00 0.00 C ATOM 212 CE2 PHE A 17 3.087 -2.744 3.926 1.00 0.00 C ATOM 213 CZ PHE A 17 2.357 -3.814 3.447 1.00 0.00 C ATOM 0 H PHE A 17 0.368 0.652 2.992 1.00 0.00 H new ATOM 0 HA PHE A 17 1.325 1.333 0.327 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.927 -0.419 0.173 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.327 0.467 1.631 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.257 -2.467 0.562 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.731 -0.741 3.570 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.127 -4.547 1.861 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.602 -2.821 4.872 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.301 -4.729 4.018 1.00 0.00 H new ATOM 223 N ASP A 18 -0.149 -0.469 -0.601 1.00 0.00 N ATOM 224 CA ASP A 18 -1.191 -1.352 -1.112 1.00 0.00 C ATOM 225 C ASP A 18 -0.630 -2.740 -1.407 1.00 0.00 C ATOM 226 O ASP A 18 0.500 -2.894 -1.868 1.00 0.00 O ATOM 227 CB ASP A 18 -1.815 -0.761 -2.377 1.00 0.00 C ATOM 228 CG ASP A 18 -2.821 0.331 -2.070 1.00 0.00 C ATOM 229 OD1 ASP A 18 -2.425 1.349 -1.466 1.00 0.00 O ATOM 230 OD2 ASP A 18 -4.005 0.167 -2.434 1.00 0.00 O ATOM 0 H ASP A 18 0.327 0.080 -1.317 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.961 -1.446 -0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.027 -0.357 -3.013 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.305 -1.554 -2.942 1.00 0.00 H new ATOM 235 N PRO A 19 -1.439 -3.775 -1.134 1.00 0.00 N ATOM 236 CA PRO A 19 -1.045 -5.168 -1.362 1.00 0.00 C ATOM 237 C PRO A 19 -0.948 -5.508 -2.845 1.00 0.00 C ATOM 238 O PRO A 19 0.058 -6.051 -3.303 1.00 0.00 O ATOM 239 CB PRO A 19 -2.171 -5.968 -0.702 1.00 0.00 C ATOM 240 CG PRO A 19 -3.349 -5.056 -0.730 1.00 0.00 C ATOM 241 CD PRO A 19 -2.800 -3.664 -0.583 1.00 0.00 C ATOM 0 HA PRO A 19 -0.056 -5.383 -0.956 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.372 -6.891 -1.245 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.912 -6.249 0.319 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.901 -5.161 -1.664 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.042 -5.289 0.078 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.398 -2.936 -1.132 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.787 -3.345 0.459 1.00 0.00 H new ATOM 249 N TYR A 20 -1.999 -5.186 -3.591 1.00 0.00 N ATOM 250 CA TYR A 20 -2.033 -5.459 -5.023 1.00 0.00 C ATOM 251 C TYR A 20 -0.838 -4.823 -5.727 1.00 0.00 C ATOM 252 O TYR A 20 -0.214 -5.438 -6.592 1.00 0.00 O ATOM 253 CB TYR A 20 -3.335 -4.937 -5.632 1.00 0.00 C ATOM 254 CG TYR A 20 -4.532 -5.816 -5.348 1.00 0.00 C ATOM 255 CD1 TYR A 20 -4.870 -6.860 -6.201 1.00 0.00 C ATOM 256 CD2 TYR A 20 -5.324 -5.604 -4.226 1.00 0.00 C ATOM 257 CE1 TYR A 20 -5.963 -7.665 -5.945 1.00 0.00 C ATOM 258 CE2 TYR A 20 -6.418 -6.406 -3.962 1.00 0.00 C ATOM 259 CZ TYR A 20 -6.733 -7.434 -4.825 1.00 0.00 C ATOM 260 OH TYR A 20 -7.822 -8.235 -4.566 1.00 0.00 O ATOM 0 H TYR A 20 -2.839 -4.736 -3.228 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.982 -6.539 -5.163 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.530 -3.936 -5.247 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.210 -4.845 -6.711 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.268 -7.045 -7.078 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.080 -4.799 -3.549 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.213 -8.471 -6.619 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -7.023 -6.229 -3.085 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.256 -7.940 -3.738 1.00 0.00 H new ATOM 270 N ARG A 21 -0.526 -3.588 -5.350 1.00 0.00 N ATOM 271 CA ARG A 21 0.594 -2.867 -5.944 1.00 0.00 C ATOM 272 C ARG A 21 1.918 -3.549 -5.612 1.00 0.00 C ATOM 273 O ARG A 21 2.810 -3.642 -6.455 1.00 0.00 O ATOM 274 CB ARG A 21 0.616 -1.419 -5.451 1.00 0.00 C ATOM 275 CG ARG A 21 -0.511 -0.568 -6.013 1.00 0.00 C ATOM 276 CD ARG A 21 -0.160 -0.015 -7.385 1.00 0.00 C ATOM 277 NE ARG A 21 -0.981 1.141 -7.736 1.00 0.00 N ATOM 278 CZ ARG A 21 -2.198 1.047 -8.259 1.00 0.00 C ATOM 279 NH1 ARG A 21 -2.733 -0.144 -8.491 1.00 0.00 N ATOM 280 NH2 ARG A 21 -2.883 2.145 -8.551 1.00 0.00 N ATOM 0 H ARG A 21 -1.033 -3.065 -4.636 1.00 0.00 H new ATOM 0 HA ARG A 21 0.464 -2.873 -7.026 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.556 -1.414 -4.363 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.571 -0.967 -5.720 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.420 -1.166 -6.082 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.722 0.255 -5.331 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.892 0.269 -7.403 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.293 -0.795 -8.135 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.598 2.072 -7.570 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.210 -0.990 -8.268 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.668 -0.214 -8.893 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.475 3.063 -8.374 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.818 2.071 -8.953 1.00 0.00 H new ATOM 294 N VAL A 22 2.038 -4.025 -4.377 1.00 0.00 N ATOM 295 CA VAL A 22 3.253 -4.699 -3.932 1.00 0.00 C ATOM 296 C VAL A 22 3.483 -5.988 -4.713 1.00 0.00 C ATOM 297 O VAL A 22 4.522 -6.165 -5.350 1.00 0.00 O ATOM 298 CB VAL A 22 3.195 -5.026 -2.428 1.00 0.00 C ATOM 299 CG1 VAL A 22 4.401 -5.856 -2.015 1.00 0.00 C ATOM 300 CG2 VAL A 22 3.112 -3.747 -1.609 1.00 0.00 C ATOM 0 H VAL A 22 1.309 -3.957 -3.667 1.00 0.00 H new ATOM 0 HA VAL A 22 4.081 -4.014 -4.115 1.00 0.00 H new ATOM 0 HB VAL A 22 2.297 -5.613 -2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.343 -6.077 -0.949 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.411 -6.789 -2.579 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.314 -5.298 -2.220 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.072 -3.996 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.991 -3.132 -1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.214 -3.195 -1.886 1.00 0.00 H new ATOM 310 N LEU A 23 2.506 -6.888 -4.659 1.00 0.00 N ATOM 311 CA LEU A 23 2.601 -8.163 -5.362 1.00 0.00 C ATOM 312 C LEU A 23 2.710 -7.947 -6.868 1.00 0.00 C ATOM 313 O LEU A 23 3.375 -8.710 -7.568 1.00 0.00 O ATOM 314 CB LEU A 23 1.384 -9.033 -5.046 1.00 0.00 C ATOM 315 CG LEU A 23 1.390 -9.727 -3.684 1.00 0.00 C ATOM 316 CD1 LEU A 23 0.035 -10.355 -3.398 1.00 0.00 C ATOM 317 CD2 LEU A 23 2.490 -10.777 -3.624 1.00 0.00 C ATOM 0 H LEU A 23 1.640 -6.758 -4.136 1.00 0.00 H new ATOM 0 HA LEU A 23 3.502 -8.673 -5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.491 -8.411 -5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.297 -9.796 -5.820 1.00 0.00 H new ATOM 0 HG LEU A 23 1.589 -8.978 -2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.059 -10.844 -2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.732 -9.580 -3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.195 -11.091 -4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.479 -11.260 -2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.323 -11.524 -4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.457 -10.300 -3.782 1.00 0.00 H new ATOM 329 N GLY A 24 2.052 -6.902 -7.361 1.00 0.00 N ATOM 330 CA GLY A 24 2.090 -6.603 -8.780 1.00 0.00 C ATOM 331 C GLY A 24 0.904 -7.182 -9.526 1.00 0.00 C ATOM 332 O GLY A 24 1.053 -7.722 -10.622 1.00 0.00 O ATOM 0 H GLY A 24 1.493 -6.257 -6.802 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.111 -5.522 -8.920 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.012 -6.998 -9.207 1.00 0.00 H new ATOM 336 N VAL A 25 -0.279 -7.072 -8.930 1.00 0.00 N ATOM 337 CA VAL A 25 -1.496 -7.589 -9.544 1.00 0.00 C ATOM 338 C VAL A 25 -2.626 -6.568 -9.472 1.00 0.00 C ATOM 339 O VAL A 25 -2.518 -5.557 -8.778 1.00 0.00 O ATOM 340 CB VAL A 25 -1.955 -8.894 -8.867 1.00 0.00 C ATOM 341 CG1 VAL A 25 -1.118 -10.069 -9.349 1.00 0.00 C ATOM 342 CG2 VAL A 25 -1.883 -8.763 -7.353 1.00 0.00 C ATOM 0 H VAL A 25 -0.420 -6.629 -8.022 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.261 -7.793 -10.589 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.993 -9.080 -9.144 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.457 -10.982 -8.860 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.226 -10.174 -10.429 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.070 -9.894 -9.105 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.211 -9.694 -6.891 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.856 -8.552 -7.054 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.530 -7.949 -7.027 1.00 0.00 H new ATOM 352 N SER A 26 -3.709 -6.839 -10.193 1.00 0.00 N ATOM 353 CA SER A 26 -4.858 -5.942 -10.214 1.00 0.00 C ATOM 354 C SER A 26 -6.087 -6.619 -9.615 1.00 0.00 C ATOM 355 O SER A 26 -6.047 -7.796 -9.256 1.00 0.00 O ATOM 356 CB SER A 26 -5.156 -5.493 -11.646 1.00 0.00 C ATOM 357 OG SER A 26 -4.416 -4.331 -11.980 1.00 0.00 O ATOM 0 H SER A 26 -3.815 -7.673 -10.771 1.00 0.00 H new ATOM 0 HA SER A 26 -4.616 -5.068 -9.610 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.911 -6.296 -12.341 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.222 -5.293 -11.753 1.00 0.00 H new ATOM 0 HG SER A 26 -4.622 -4.065 -12.900 1.00 0.00 H new ATOM 363 N ARG A 27 -7.177 -5.866 -9.510 1.00 0.00 N ATOM 364 CA ARG A 27 -8.418 -6.392 -8.953 1.00 0.00 C ATOM 365 C ARG A 27 -8.830 -7.678 -9.664 1.00 0.00 C ATOM 366 O ARG A 27 -9.342 -8.609 -9.040 1.00 0.00 O ATOM 367 CB ARG A 27 -9.534 -5.353 -9.069 1.00 0.00 C ATOM 368 CG ARG A 27 -9.698 -4.788 -10.470 1.00 0.00 C ATOM 369 CD ARG A 27 -10.866 -3.817 -10.546 1.00 0.00 C ATOM 370 NE ARG A 27 -11.151 -3.410 -11.920 1.00 0.00 N ATOM 371 CZ ARG A 27 -11.914 -2.370 -12.235 1.00 0.00 C ATOM 372 NH1 ARG A 27 -12.467 -1.635 -11.279 1.00 0.00 N ATOM 373 NH2 ARG A 27 -12.126 -2.062 -13.508 1.00 0.00 N ATOM 0 H ARG A 27 -7.226 -4.890 -9.803 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.248 -6.617 -7.900 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.475 -5.807 -8.757 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -9.330 -4.535 -8.378 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.781 -4.280 -10.768 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -9.855 -5.603 -11.176 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -11.752 -4.282 -10.114 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -10.644 -2.935 -9.945 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.741 -3.955 -12.679 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -12.306 -1.868 -10.299 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -13.053 -0.837 -11.524 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.703 -2.624 -14.246 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.712 -1.263 -13.749 1.00 0.00 H new ATOM 387 N THR A 28 -8.603 -7.724 -10.973 1.00 0.00 N ATOM 388 CA THR A 28 -8.952 -8.894 -11.769 1.00 0.00 C ATOM 389 C THR A 28 -8.251 -10.143 -11.247 1.00 0.00 C ATOM 390 O THR A 28 -8.721 -11.261 -11.452 1.00 0.00 O ATOM 391 CB THR A 28 -8.585 -8.695 -13.252 1.00 0.00 C ATOM 392 OG1 THR A 28 -9.174 -7.486 -13.744 1.00 0.00 O ATOM 393 CG2 THR A 28 -9.059 -9.873 -14.089 1.00 0.00 C ATOM 0 H THR A 28 -8.179 -6.964 -11.505 1.00 0.00 H new ATOM 0 HA THR A 28 -10.031 -9.024 -11.684 1.00 0.00 H new ATOM 0 HB THR A 28 -7.500 -8.628 -13.330 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.935 -7.366 -14.687 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.789 -9.710 -15.132 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.587 -10.788 -13.730 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.142 -9.967 -14.005 1.00 0.00 H new ATOM 401 N ALA A 29 -7.125 -9.944 -10.571 1.00 0.00 N ATOM 402 CA ALA A 29 -6.360 -11.055 -10.017 1.00 0.00 C ATOM 403 C ALA A 29 -7.112 -11.721 -8.869 1.00 0.00 C ATOM 404 O ALA A 29 -7.555 -11.053 -7.935 1.00 0.00 O ATOM 405 CB ALA A 29 -4.995 -10.574 -9.547 1.00 0.00 C ATOM 0 H ALA A 29 -6.722 -9.024 -10.393 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.221 -11.796 -10.804 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.435 -11.414 -9.136 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.448 -10.151 -10.390 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.123 -9.812 -8.778 1.00 0.00 H new ATOM 411 N SER A 30 -7.254 -13.040 -8.947 1.00 0.00 N ATOM 412 CA SER A 30 -7.956 -13.796 -7.917 1.00 0.00 C ATOM 413 C SER A 30 -6.975 -14.593 -7.063 1.00 0.00 C ATOM 414 O SER A 30 -5.797 -14.708 -7.398 1.00 0.00 O ATOM 415 CB SER A 30 -8.978 -14.739 -8.554 1.00 0.00 C ATOM 416 OG SER A 30 -10.198 -14.068 -8.816 1.00 0.00 O ATOM 0 H SER A 30 -6.892 -13.608 -9.713 1.00 0.00 H new ATOM 0 HA SER A 30 -8.477 -13.087 -7.274 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.575 -15.143 -9.483 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.160 -15.585 -7.891 1.00 0.00 H new ATOM 0 HG SER A 30 -10.833 -14.692 -9.225 1.00 0.00 H new ATOM 422 N GLN A 31 -7.471 -15.140 -5.958 1.00 0.00 N ATOM 423 CA GLN A 31 -6.638 -15.925 -5.055 1.00 0.00 C ATOM 424 C GLN A 31 -5.601 -16.729 -5.832 1.00 0.00 C ATOM 425 O GLN A 31 -4.487 -16.948 -5.356 1.00 0.00 O ATOM 426 CB GLN A 31 -7.505 -16.865 -4.215 1.00 0.00 C ATOM 427 CG GLN A 31 -8.426 -16.141 -3.247 1.00 0.00 C ATOM 428 CD GLN A 31 -7.758 -15.838 -1.921 1.00 0.00 C ATOM 429 OE1 GLN A 31 -7.869 -16.608 -0.966 1.00 0.00 O ATOM 430 NE2 GLN A 31 -7.059 -14.711 -1.853 1.00 0.00 N ATOM 0 H GLN A 31 -8.445 -15.054 -5.667 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.115 -15.236 -4.392 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.106 -17.484 -4.881 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.857 -17.538 -3.653 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.763 -15.209 -3.701 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.313 -16.750 -3.072 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.993 -14.102 -2.668 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.588 -14.455 -0.985 1.00 0.00 H new ATOM 439 N ALA A 32 -5.974 -17.167 -7.029 1.00 0.00 N ATOM 440 CA ALA A 32 -5.076 -17.946 -7.873 1.00 0.00 C ATOM 441 C ALA A 32 -3.917 -17.091 -8.376 1.00 0.00 C ATOM 442 O ALA A 32 -2.754 -17.376 -8.091 1.00 0.00 O ATOM 443 CB ALA A 32 -5.839 -18.546 -9.044 1.00 0.00 C ATOM 0 H ALA A 32 -6.893 -16.996 -7.437 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.662 -18.755 -7.271 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.156 -19.125 -9.665 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.628 -19.197 -8.669 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.281 -17.746 -9.638 1.00 0.00 H new ATOM 449 N ASP A 33 -4.243 -16.044 -9.125 1.00 0.00 N ATOM 450 CA ASP A 33 -3.229 -15.147 -9.668 1.00 0.00 C ATOM 451 C ASP A 33 -2.365 -14.565 -8.553 1.00 0.00 C ATOM 452 O ASP A 33 -1.138 -14.534 -8.657 1.00 0.00 O ATOM 453 CB ASP A 33 -3.888 -14.018 -10.461 1.00 0.00 C ATOM 454 CG ASP A 33 -2.926 -13.350 -11.425 1.00 0.00 C ATOM 455 OD1 ASP A 33 -2.111 -14.067 -12.043 1.00 0.00 O ATOM 456 OD2 ASP A 33 -2.990 -12.110 -11.561 1.00 0.00 O ATOM 0 H ASP A 33 -5.201 -15.795 -9.370 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.589 -15.724 -10.336 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.737 -14.416 -11.017 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.281 -13.273 -9.769 1.00 0.00 H new ATOM 461 N ILE A 34 -3.013 -14.105 -7.488 1.00 0.00 N ATOM 462 CA ILE A 34 -2.304 -13.525 -6.354 1.00 0.00 C ATOM 463 C ILE A 34 -1.373 -14.545 -5.707 1.00 0.00 C ATOM 464 O ILE A 34 -0.196 -14.269 -5.476 1.00 0.00 O ATOM 465 CB ILE A 34 -3.283 -12.993 -5.291 1.00 0.00 C ATOM 466 CG1 ILE A 34 -4.261 -11.998 -5.919 1.00 0.00 C ATOM 467 CG2 ILE A 34 -2.519 -12.342 -4.147 1.00 0.00 C ATOM 468 CD1 ILE A 34 -5.525 -11.802 -5.112 1.00 0.00 C ATOM 0 H ILE A 34 -4.028 -14.123 -7.387 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.715 -12.694 -6.742 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.854 -13.831 -4.892 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.762 -11.036 -6.037 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.527 -12.344 -6.918 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.224 -11.971 -3.403 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.859 -13.077 -3.686 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.926 -11.512 -4.531 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.171 -11.084 -5.617 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.046 -12.754 -5.015 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.270 -11.426 -4.121 1.00 0.00 H new ATOM 480 N LYS A 35 -1.908 -15.727 -5.419 1.00 0.00 N ATOM 481 CA LYS A 35 -1.126 -16.791 -4.802 1.00 0.00 C ATOM 482 C LYS A 35 0.135 -17.079 -5.610 1.00 0.00 C ATOM 483 O LYS A 35 1.251 -16.931 -5.112 1.00 0.00 O ATOM 484 CB LYS A 35 -1.967 -18.064 -4.678 1.00 0.00 C ATOM 485 CG LYS A 35 -1.230 -19.218 -4.021 1.00 0.00 C ATOM 486 CD LYS A 35 -0.539 -20.097 -5.050 1.00 0.00 C ATOM 487 CE LYS A 35 -1.444 -21.226 -5.516 1.00 0.00 C ATOM 488 NZ LYS A 35 -1.570 -22.297 -4.488 1.00 0.00 N ATOM 0 H LYS A 35 -2.881 -15.972 -5.603 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.830 -16.460 -3.807 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.865 -17.842 -4.101 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.294 -18.371 -5.671 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.492 -18.828 -3.320 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.933 -19.817 -3.442 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.241 -19.491 -5.906 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.372 -20.513 -4.621 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.432 -20.827 -5.748 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.048 -21.652 -6.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.006 -23.139 -4.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.627 -22.542 -4.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.166 -21.959 -3.705 1.00 0.00 H new ATOM 502 N LYS A 36 -0.050 -17.489 -6.860 1.00 0.00 N ATOM 503 CA LYS A 36 1.072 -17.794 -7.740 1.00 0.00 C ATOM 504 C LYS A 36 2.059 -16.632 -7.786 1.00 0.00 C ATOM 505 O LYS A 36 3.272 -16.834 -7.748 1.00 0.00 O ATOM 506 CB LYS A 36 0.570 -18.108 -9.151 1.00 0.00 C ATOM 507 CG LYS A 36 1.572 -17.771 -10.242 1.00 0.00 C ATOM 508 CD LYS A 36 1.033 -18.116 -11.620 1.00 0.00 C ATOM 509 CE LYS A 36 2.031 -17.766 -12.713 1.00 0.00 C ATOM 510 NZ LYS A 36 1.522 -18.125 -14.065 1.00 0.00 N ATOM 0 H LYS A 36 -0.967 -17.618 -7.287 1.00 0.00 H new ATOM 0 HA LYS A 36 1.586 -18.669 -7.342 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.322 -19.168 -9.212 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.351 -17.554 -9.332 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.813 -16.709 -10.200 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.500 -18.316 -10.066 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.801 -19.180 -11.665 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.100 -17.579 -11.792 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.248 -16.698 -12.678 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.970 -18.288 -12.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.231 -17.871 -14.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.339 -19.148 -14.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.640 -17.608 -14.252 1.00 0.00 H new ATOM 524 N ALA A 37 1.530 -15.416 -7.868 1.00 0.00 N ATOM 525 CA ALA A 37 2.365 -14.222 -7.917 1.00 0.00 C ATOM 526 C ALA A 37 3.150 -14.048 -6.621 1.00 0.00 C ATOM 527 O ALA A 37 4.294 -13.593 -6.633 1.00 0.00 O ATOM 528 CB ALA A 37 1.511 -12.992 -8.188 1.00 0.00 C ATOM 0 H ALA A 37 0.527 -15.232 -7.902 1.00 0.00 H new ATOM 0 HA ALA A 37 3.080 -14.341 -8.731 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.147 -12.108 -8.222 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.999 -13.108 -9.143 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.774 -12.878 -7.393 1.00 0.00 H new ATOM 534 N TYR A 38 2.528 -14.412 -5.505 1.00 0.00 N ATOM 535 CA TYR A 38 3.168 -14.293 -4.200 1.00 0.00 C ATOM 536 C TYR A 38 4.348 -15.253 -4.082 1.00 0.00 C ATOM 537 O TYR A 38 5.495 -14.832 -3.938 1.00 0.00 O ATOM 538 CB TYR A 38 2.157 -14.569 -3.086 1.00 0.00 C ATOM 539 CG TYR A 38 2.778 -15.154 -1.837 1.00 0.00 C ATOM 540 CD1 TYR A 38 3.543 -14.369 -0.985 1.00 0.00 C ATOM 541 CD2 TYR A 38 2.597 -16.492 -1.510 1.00 0.00 C ATOM 542 CE1 TYR A 38 4.113 -14.899 0.157 1.00 0.00 C ATOM 543 CE2 TYR A 38 3.161 -17.031 -0.369 1.00 0.00 C ATOM 544 CZ TYR A 38 3.919 -16.230 0.460 1.00 0.00 C ATOM 545 OH TYR A 38 4.483 -16.762 1.597 1.00 0.00 O ATOM 0 H TYR A 38 1.582 -14.792 -5.478 1.00 0.00 H new ATOM 0 HA TYR A 38 3.541 -13.274 -4.098 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.650 -13.639 -2.828 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.396 -15.255 -3.459 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.695 -13.326 -1.219 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.006 -17.122 -2.158 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.707 -14.274 0.808 1.00 0.00 H new ATOM 0 HE2 TYR A 38 3.009 -18.073 -0.128 1.00 0.00 H new ATOM 0 HH TYR A 38 4.249 -17.711 1.665 1.00 0.00 H new ATOM 555 N LYS A 39 4.056 -16.548 -4.145 1.00 0.00 N ATOM 556 CA LYS A 39 5.090 -17.571 -4.048 1.00 0.00 C ATOM 557 C LYS A 39 6.200 -17.322 -5.064 1.00 0.00 C ATOM 558 O LYS A 39 7.384 -17.445 -4.749 1.00 0.00 O ATOM 559 CB LYS A 39 4.485 -18.960 -4.268 1.00 0.00 C ATOM 560 CG LYS A 39 3.692 -19.473 -3.079 1.00 0.00 C ATOM 561 CD LYS A 39 3.057 -20.822 -3.373 1.00 0.00 C ATOM 562 CE LYS A 39 3.980 -21.968 -2.987 1.00 0.00 C ATOM 563 NZ LYS A 39 3.765 -22.403 -1.579 1.00 0.00 N ATOM 0 H LYS A 39 3.111 -16.914 -4.263 1.00 0.00 H new ATOM 0 HA LYS A 39 5.520 -17.523 -3.048 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.834 -18.929 -5.142 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.286 -19.665 -4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.348 -19.560 -2.213 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.916 -18.753 -2.820 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.118 -20.910 -2.827 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.816 -20.889 -4.434 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.812 -22.811 -3.657 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.017 -21.659 -3.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.413 -23.185 -1.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.950 -21.606 -0.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.782 -22.722 -1.460 1.00 0.00 H new ATOM 577 N LYS A 40 5.810 -16.969 -6.284 1.00 0.00 N ATOM 578 CA LYS A 40 6.771 -16.699 -7.347 1.00 0.00 C ATOM 579 C LYS A 40 7.719 -15.571 -6.950 1.00 0.00 C ATOM 580 O LYS A 40 8.926 -15.652 -7.180 1.00 0.00 O ATOM 581 CB LYS A 40 6.042 -16.334 -8.642 1.00 0.00 C ATOM 582 CG LYS A 40 6.964 -15.830 -9.739 1.00 0.00 C ATOM 583 CD LYS A 40 6.201 -15.049 -10.795 1.00 0.00 C ATOM 584 CE LYS A 40 5.680 -15.962 -11.895 1.00 0.00 C ATOM 585 NZ LYS A 40 6.745 -16.310 -12.877 1.00 0.00 N ATOM 0 H LYS A 40 4.834 -16.863 -6.561 1.00 0.00 H new ATOM 0 HA LYS A 40 7.358 -17.603 -7.510 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.504 -17.210 -9.005 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.296 -15.569 -8.426 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.736 -15.196 -9.303 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.471 -16.675 -10.206 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.366 -14.525 -10.329 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.852 -14.290 -11.229 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.282 -16.875 -11.452 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.854 -15.473 -12.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.351 -16.933 -13.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.107 -15.441 -13.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.522 -16.799 -12.388 1.00 0.00 H new ATOM 599 N LEU A 41 7.165 -14.522 -6.352 1.00 0.00 N ATOM 600 CA LEU A 41 7.962 -13.379 -5.921 1.00 0.00 C ATOM 601 C LEU A 41 8.797 -13.728 -4.694 1.00 0.00 C ATOM 602 O LEU A 41 9.947 -13.307 -4.573 1.00 0.00 O ATOM 603 CB LEU A 41 7.053 -12.187 -5.612 1.00 0.00 C ATOM 604 CG LEU A 41 6.761 -11.245 -6.780 1.00 0.00 C ATOM 605 CD1 LEU A 41 5.485 -10.459 -6.525 1.00 0.00 C ATOM 606 CD2 LEU A 41 7.933 -10.302 -7.011 1.00 0.00 C ATOM 0 H LEU A 41 6.168 -14.439 -6.155 1.00 0.00 H new ATOM 0 HA LEU A 41 8.639 -13.112 -6.733 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.105 -12.568 -5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.508 -11.607 -4.809 1.00 0.00 H new ATOM 0 HG LEU A 41 6.621 -11.845 -7.679 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.293 -9.794 -7.367 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.649 -11.149 -6.410 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.596 -9.870 -5.615 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.707 -9.639 -7.846 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.105 -9.709 -6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.827 -10.882 -7.240 1.00 0.00 H new ATOM 618 N ALA A 42 8.211 -14.503 -3.787 1.00 0.00 N ATOM 619 CA ALA A 42 8.902 -14.913 -2.571 1.00 0.00 C ATOM 620 C ALA A 42 10.054 -15.861 -2.887 1.00 0.00 C ATOM 621 O ALA A 42 11.108 -15.804 -2.254 1.00 0.00 O ATOM 622 CB ALA A 42 7.926 -15.568 -1.604 1.00 0.00 C ATOM 0 H ALA A 42 7.259 -14.859 -3.872 1.00 0.00 H new ATOM 0 HA ALA A 42 9.318 -14.022 -2.101 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.456 -15.869 -0.700 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.140 -14.859 -1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.482 -16.446 -2.074 1.00 0.00 H new ATOM 628 N ARG A 43 9.844 -16.732 -3.869 1.00 0.00 N ATOM 629 CA ARG A 43 10.865 -17.694 -4.267 1.00 0.00 C ATOM 630 C ARG A 43 11.975 -17.011 -5.062 1.00 0.00 C ATOM 631 O ARG A 43 13.158 -17.259 -4.831 1.00 0.00 O ATOM 632 CB ARG A 43 10.242 -18.815 -5.101 1.00 0.00 C ATOM 633 CG ARG A 43 9.430 -19.804 -4.282 1.00 0.00 C ATOM 634 CD ARG A 43 9.112 -21.060 -5.079 1.00 0.00 C ATOM 635 NE ARG A 43 10.309 -21.852 -5.351 1.00 0.00 N ATOM 636 CZ ARG A 43 10.950 -22.557 -4.426 1.00 0.00 C ATOM 637 NH1 ARG A 43 10.511 -22.569 -3.175 1.00 0.00 N ATOM 638 NH2 ARG A 43 12.032 -23.253 -4.752 1.00 0.00 N ATOM 0 H ARG A 43 8.977 -16.791 -4.403 1.00 0.00 H new ATOM 0 HA ARG A 43 11.299 -18.121 -3.363 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.600 -18.375 -5.864 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.035 -19.352 -5.622 1.00 0.00 H new ATOM 0 HG2 ARG A 43 9.983 -20.073 -3.382 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.502 -19.333 -3.957 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.393 -21.667 -4.528 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.639 -20.782 -6.021 1.00 0.00 H new ATOM 0 HE ARG A 43 10.672 -21.864 -6.304 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.679 -22.036 -2.921 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.005 -23.111 -2.466 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.372 -23.247 -5.714 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.524 -23.794 -4.041 1.00 0.00 H new ATOM 652 N GLU A 44 11.583 -16.152 -5.997 1.00 0.00 N ATOM 653 CA GLU A 44 12.545 -15.435 -6.826 1.00 0.00 C ATOM 654 C GLU A 44 13.305 -14.398 -6.004 1.00 0.00 C ATOM 655 O GLU A 44 14.536 -14.378 -5.996 1.00 0.00 O ATOM 656 CB GLU A 44 11.835 -14.753 -7.997 1.00 0.00 C ATOM 657 CG GLU A 44 11.691 -15.641 -9.222 1.00 0.00 C ATOM 658 CD GLU A 44 13.023 -15.957 -9.874 1.00 0.00 C ATOM 659 OE1 GLU A 44 13.607 -15.047 -10.499 1.00 0.00 O ATOM 660 OE2 GLU A 44 13.480 -17.113 -9.760 1.00 0.00 O ATOM 0 H GLU A 44 10.607 -15.936 -6.200 1.00 0.00 H new ATOM 0 HA GLU A 44 13.260 -16.159 -7.216 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.845 -14.432 -7.673 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.388 -13.855 -8.273 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.201 -16.572 -8.936 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.043 -15.150 -9.948 1.00 0.00 H new ATOM 667 N TRP A 45 12.563 -13.539 -5.316 1.00 0.00 N ATOM 668 CA TRP A 45 13.167 -12.498 -4.491 1.00 0.00 C ATOM 669 C TRP A 45 13.533 -13.039 -3.114 1.00 0.00 C ATOM 670 O TRP A 45 13.806 -12.274 -2.188 1.00 0.00 O ATOM 671 CB TRP A 45 12.210 -11.313 -4.349 1.00 0.00 C ATOM 672 CG TRP A 45 11.917 -10.627 -5.649 1.00 0.00 C ATOM 673 CD1 TRP A 45 11.003 -11.010 -6.589 1.00 0.00 C ATOM 674 CD2 TRP A 45 12.541 -9.441 -6.153 1.00 0.00 C ATOM 675 NE1 TRP A 45 11.022 -10.133 -7.647 1.00 0.00 N ATOM 676 CE2 TRP A 45 11.956 -9.162 -7.403 1.00 0.00 C ATOM 677 CE3 TRP A 45 13.535 -8.587 -5.669 1.00 0.00 C ATOM 678 CZ2 TRP A 45 12.335 -8.065 -8.174 1.00 0.00 C ATOM 679 CZ3 TRP A 45 13.910 -7.500 -6.435 1.00 0.00 C ATOM 680 CH2 TRP A 45 13.311 -7.246 -7.675 1.00 0.00 C ATOM 0 H TRP A 45 11.543 -13.542 -5.312 1.00 0.00 H new ATOM 0 HA TRP A 45 14.080 -12.163 -4.983 1.00 0.00 H new ATOM 0 HB2 TRP A 45 11.274 -11.661 -3.911 1.00 0.00 H new ATOM 0 HB3 TRP A 45 12.638 -10.591 -3.654 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.360 -11.874 -6.512 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.435 -10.195 -8.479 1.00 0.00 H new ATOM 0 HE3 TRP A 45 14.002 -8.773 -4.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 11.875 -7.868 -9.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 14.679 -6.834 -6.071 1.00 0.00 H new ATOM 0 HH2 TRP A 45 13.626 -6.387 -8.249 1.00 0.00 H new ATOM 691 N HIS A 46 13.538 -14.362 -2.984 1.00 0.00 N ATOM 692 CA HIS A 46 13.872 -15.005 -1.719 1.00 0.00 C ATOM 693 C HIS A 46 15.272 -14.607 -1.260 1.00 0.00 C ATOM 694 O HIS A 46 16.218 -14.555 -2.046 1.00 0.00 O ATOM 695 CB HIS A 46 13.781 -16.525 -1.855 1.00 0.00 C ATOM 696 CG HIS A 46 13.381 -17.217 -0.589 1.00 0.00 C ATOM 697 ND1 HIS A 46 14.081 -18.280 -0.058 1.00 0.00 N ATOM 698 CD2 HIS A 46 12.346 -16.992 0.255 1.00 0.00 C ATOM 699 CE1 HIS A 46 13.493 -18.680 1.056 1.00 0.00 C ATOM 700 NE2 HIS A 46 12.438 -17.914 1.268 1.00 0.00 N ATOM 0 H HIS A 46 13.314 -15.009 -3.740 1.00 0.00 H new ATOM 0 HA HIS A 46 13.154 -14.671 -0.970 1.00 0.00 H new ATOM 0 HB2 HIS A 46 13.061 -16.769 -2.636 1.00 0.00 H new ATOM 0 HB3 HIS A 46 14.747 -16.911 -2.181 1.00 0.00 H new ATOM 0 HD2 HIS A 46 11.589 -16.229 0.151 1.00 0.00 H new ATOM 0 HE1 HIS A 46 13.819 -19.494 1.686 1.00 0.00 H new ATOM 0 HE2 HIS A 46 11.796 -17.994 2.056 1.00 0.00 H new ATOM 708 N PRO A 47 15.408 -14.317 0.043 1.00 0.00 N ATOM 709 CA PRO A 47 16.688 -13.918 0.636 1.00 0.00 C ATOM 710 C PRO A 47 17.687 -15.069 0.686 1.00 0.00 C ATOM 711 O PRO A 47 18.887 -14.854 0.859 1.00 0.00 O ATOM 712 CB PRO A 47 16.303 -13.482 2.051 1.00 0.00 C ATOM 713 CG PRO A 47 15.047 -14.227 2.349 1.00 0.00 C ATOM 714 CD PRO A 47 14.323 -14.358 1.038 1.00 0.00 C ATOM 0 HA PRO A 47 17.181 -13.139 0.055 1.00 0.00 H new ATOM 0 HB2 PRO A 47 17.087 -13.726 2.768 1.00 0.00 H new ATOM 0 HB3 PRO A 47 16.146 -12.405 2.104 1.00 0.00 H new ATOM 0 HG2 PRO A 47 15.266 -15.207 2.774 1.00 0.00 H new ATOM 0 HG3 PRO A 47 14.439 -13.692 3.079 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.761 -15.290 0.981 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.611 -13.546 0.889 1.00 0.00 H new ATOM 722 N ASP A 48 17.185 -16.289 0.535 1.00 0.00 N ATOM 723 CA ASP A 48 18.034 -17.474 0.562 1.00 0.00 C ATOM 724 C ASP A 48 19.093 -17.409 -0.534 1.00 0.00 C ATOM 725 O ASP A 48 20.260 -17.727 -0.305 1.00 0.00 O ATOM 726 CB ASP A 48 17.189 -18.738 0.397 1.00 0.00 C ATOM 727 CG ASP A 48 17.930 -19.990 0.823 1.00 0.00 C ATOM 728 OD1 ASP A 48 18.707 -20.527 0.006 1.00 0.00 O ATOM 729 OD2 ASP A 48 17.733 -20.433 1.974 1.00 0.00 O ATOM 0 H ASP A 48 16.194 -16.484 0.393 1.00 0.00 H new ATOM 0 HA ASP A 48 18.538 -17.507 1.528 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.277 -18.641 0.986 1.00 0.00 H new ATOM 0 HB3 ASP A 48 16.886 -18.836 -0.646 1.00 0.00 H new ATOM 734 N LYS A 49 18.678 -16.996 -1.726 1.00 0.00 N ATOM 735 CA LYS A 49 19.590 -16.888 -2.859 1.00 0.00 C ATOM 736 C LYS A 49 20.079 -15.453 -3.030 1.00 0.00 C ATOM 737 O LYS A 49 21.190 -15.218 -3.502 1.00 0.00 O ATOM 738 CB LYS A 49 18.900 -17.359 -4.142 1.00 0.00 C ATOM 739 CG LYS A 49 19.736 -17.151 -5.393 1.00 0.00 C ATOM 740 CD LYS A 49 20.611 -18.358 -5.686 1.00 0.00 C ATOM 741 CE LYS A 49 21.968 -18.240 -5.008 1.00 0.00 C ATOM 742 NZ LYS A 49 22.906 -19.307 -5.454 1.00 0.00 N ATOM 0 H LYS A 49 17.715 -16.730 -1.933 1.00 0.00 H new ATOM 0 HA LYS A 49 20.452 -17.526 -2.661 1.00 0.00 H new ATOM 0 HB2 LYS A 49 18.660 -18.418 -4.048 1.00 0.00 H new ATOM 0 HB3 LYS A 49 17.956 -16.826 -4.253 1.00 0.00 H new ATOM 0 HG2 LYS A 49 19.080 -16.961 -6.243 1.00 0.00 H new ATOM 0 HG3 LYS A 49 20.362 -16.268 -5.270 1.00 0.00 H new ATOM 0 HD2 LYS A 49 20.110 -19.264 -5.344 1.00 0.00 H new ATOM 0 HD3 LYS A 49 20.748 -18.457 -6.763 1.00 0.00 H new ATOM 0 HE2 LYS A 49 22.399 -17.263 -5.226 1.00 0.00 H new ATOM 0 HE3 LYS A 49 21.840 -18.298 -3.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 23.819 -19.192 -4.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 22.507 -20.239 -5.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 23.049 -19.237 -6.482 1.00 0.00 H new ATOM 756 N ASN A 50 19.241 -14.497 -2.642 1.00 0.00 N ATOM 757 CA ASN A 50 19.589 -13.085 -2.751 1.00 0.00 C ATOM 758 C ASN A 50 20.638 -12.701 -1.712 1.00 0.00 C ATOM 759 O ASN A 50 20.446 -12.905 -0.514 1.00 0.00 O ATOM 760 CB ASN A 50 18.341 -12.216 -2.577 1.00 0.00 C ATOM 761 CG ASN A 50 17.609 -11.988 -3.885 1.00 0.00 C ATOM 762 OD1 ASN A 50 18.172 -12.170 -4.965 1.00 0.00 O ATOM 763 ND2 ASN A 50 16.346 -11.588 -3.794 1.00 0.00 N ATOM 0 H ASN A 50 18.316 -14.674 -2.249 1.00 0.00 H new ATOM 0 HA ASN A 50 20.007 -12.915 -3.743 1.00 0.00 H new ATOM 0 HB2 ASN A 50 17.667 -12.691 -1.865 1.00 0.00 H new ATOM 0 HB3 ASN A 50 18.628 -11.254 -2.152 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.802 -11.419 -4.640 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.920 -11.450 -2.878 1.00 0.00 H new ATOM 770 N LYS A 51 21.750 -12.144 -2.181 1.00 0.00 N ATOM 771 CA LYS A 51 22.830 -11.729 -1.294 1.00 0.00 C ATOM 772 C LYS A 51 22.948 -10.208 -1.254 1.00 0.00 C ATOM 773 O LYS A 51 23.342 -9.633 -0.240 1.00 0.00 O ATOM 774 CB LYS A 51 24.156 -12.341 -1.751 1.00 0.00 C ATOM 775 CG LYS A 51 25.376 -11.685 -1.128 1.00 0.00 C ATOM 776 CD LYS A 51 25.495 -12.016 0.350 1.00 0.00 C ATOM 777 CE LYS A 51 26.135 -13.378 0.566 1.00 0.00 C ATOM 778 NZ LYS A 51 26.235 -13.720 2.012 1.00 0.00 N ATOM 0 H LYS A 51 21.926 -11.970 -3.170 1.00 0.00 H new ATOM 0 HA LYS A 51 22.599 -12.085 -0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 51 24.160 -13.403 -1.506 1.00 0.00 H new ATOM 0 HB3 LYS A 51 24.227 -12.264 -2.836 1.00 0.00 H new ATOM 0 HG2 LYS A 51 26.274 -12.016 -1.649 1.00 0.00 H new ATOM 0 HG3 LYS A 51 25.314 -10.604 -1.256 1.00 0.00 H new ATOM 0 HD2 LYS A 51 26.089 -11.250 0.849 1.00 0.00 H new ATOM 0 HD3 LYS A 51 24.506 -12.001 0.808 1.00 0.00 H new ATOM 0 HE2 LYS A 51 25.549 -14.140 0.052 1.00 0.00 H new ATOM 0 HE3 LYS A 51 27.130 -13.387 0.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 26.677 -14.656 2.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 26.815 -13.007 2.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 25.283 -13.737 2.431 1.00 0.00 H new ATOM 792 N ASP A 52 22.602 -9.564 -2.363 1.00 0.00 N ATOM 793 CA ASP A 52 22.666 -8.109 -2.453 1.00 0.00 C ATOM 794 C ASP A 52 21.860 -7.459 -1.334 1.00 0.00 C ATOM 795 O ASP A 52 20.810 -7.954 -0.924 1.00 0.00 O ATOM 796 CB ASP A 52 22.147 -7.638 -3.813 1.00 0.00 C ATOM 797 CG ASP A 52 23.237 -7.599 -4.867 1.00 0.00 C ATOM 798 OD1 ASP A 52 23.497 -8.649 -5.490 1.00 0.00 O ATOM 799 OD2 ASP A 52 23.830 -6.518 -5.067 1.00 0.00 O ATOM 0 H ASP A 52 22.275 -10.025 -3.212 1.00 0.00 H new ATOM 0 HA ASP A 52 23.708 -7.808 -2.346 1.00 0.00 H new ATOM 0 HB2 ASP A 52 21.349 -8.303 -4.144 1.00 0.00 H new ATOM 0 HB3 ASP A 52 21.711 -6.644 -3.708 1.00 0.00 H new ATOM 804 N PRO A 53 22.361 -6.323 -0.826 1.00 0.00 N ATOM 805 CA PRO A 53 21.703 -5.581 0.253 1.00 0.00 C ATOM 806 C PRO A 53 20.406 -4.920 -0.204 1.00 0.00 C ATOM 807 O PRO A 53 20.415 -4.049 -1.073 1.00 0.00 O ATOM 808 CB PRO A 53 22.737 -4.520 0.636 1.00 0.00 C ATOM 809 CG PRO A 53 23.560 -4.333 -0.592 1.00 0.00 C ATOM 810 CD PRO A 53 23.607 -5.675 -1.267 1.00 0.00 C ATOM 0 HA PRO A 53 21.415 -6.232 1.078 1.00 0.00 H new ATOM 0 HB2 PRO A 53 22.256 -3.589 0.936 1.00 0.00 H new ATOM 0 HB3 PRO A 53 23.349 -4.848 1.476 1.00 0.00 H new ATOM 0 HG2 PRO A 53 23.118 -3.582 -1.247 1.00 0.00 H new ATOM 0 HG3 PRO A 53 24.563 -3.987 -0.341 1.00 0.00 H new ATOM 0 HD2 PRO A 53 23.647 -5.578 -2.352 1.00 0.00 H new ATOM 0 HD3 PRO A 53 24.485 -6.246 -0.965 1.00 0.00 H new ATOM 818 N GLY A 54 19.292 -5.340 0.388 1.00 0.00 N ATOM 819 CA GLY A 54 18.004 -4.778 0.029 1.00 0.00 C ATOM 820 C GLY A 54 16.983 -5.844 -0.318 1.00 0.00 C ATOM 821 O GLY A 54 15.802 -5.707 -0.001 1.00 0.00 O ATOM 0 H GLY A 54 19.259 -6.060 1.110 1.00 0.00 H new ATOM 0 HA2 GLY A 54 17.630 -4.177 0.857 1.00 0.00 H new ATOM 0 HA3 GLY A 54 18.128 -4.107 -0.821 1.00 0.00 H new ATOM 825 N ALA A 55 17.438 -6.907 -0.972 1.00 0.00 N ATOM 826 CA ALA A 55 16.556 -8.000 -1.362 1.00 0.00 C ATOM 827 C ALA A 55 15.558 -8.321 -0.255 1.00 0.00 C ATOM 828 O ALA A 55 14.347 -8.295 -0.472 1.00 0.00 O ATOM 829 CB ALA A 55 17.371 -9.235 -1.716 1.00 0.00 C ATOM 0 H ALA A 55 18.413 -7.035 -1.243 1.00 0.00 H new ATOM 0 HA ALA A 55 15.994 -7.685 -2.241 1.00 0.00 H new ATOM 0 HB1 ALA A 55 16.700 -10.043 -2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 55 18.040 -9.004 -2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 55 17.959 -9.543 -0.851 1.00 0.00 H new ATOM 835 N GLU A 56 16.075 -8.625 0.932 1.00 0.00 N ATOM 836 CA GLU A 56 15.227 -8.953 2.072 1.00 0.00 C ATOM 837 C GLU A 56 14.027 -8.013 2.146 1.00 0.00 C ATOM 838 O GLU A 56 12.878 -8.449 2.079 1.00 0.00 O ATOM 839 CB GLU A 56 16.030 -8.876 3.372 1.00 0.00 C ATOM 840 CG GLU A 56 16.717 -10.180 3.741 1.00 0.00 C ATOM 841 CD GLU A 56 18.038 -10.368 3.021 1.00 0.00 C ATOM 842 OE1 GLU A 56 18.885 -9.453 3.084 1.00 0.00 O ATOM 843 OE2 GLU A 56 18.225 -11.432 2.394 1.00 0.00 O ATOM 0 H GLU A 56 17.076 -8.651 1.129 1.00 0.00 H new ATOM 0 HA GLU A 56 14.861 -9.971 1.939 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.782 -8.093 3.279 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.364 -8.584 4.184 1.00 0.00 H new ATOM 0 HG2 GLU A 56 16.888 -10.204 4.817 1.00 0.00 H new ATOM 0 HG3 GLU A 56 16.056 -11.014 3.504 1.00 0.00 H new ATOM 850 N ASP A 57 14.303 -6.721 2.285 1.00 0.00 N ATOM 851 CA ASP A 57 13.248 -5.718 2.368 1.00 0.00 C ATOM 852 C ASP A 57 12.077 -6.085 1.461 1.00 0.00 C ATOM 853 O ASP A 57 10.948 -6.248 1.924 1.00 0.00 O ATOM 854 CB ASP A 57 13.792 -4.341 1.986 1.00 0.00 C ATOM 855 CG ASP A 57 12.745 -3.251 2.105 1.00 0.00 C ATOM 856 OD1 ASP A 57 11.760 -3.289 1.338 1.00 0.00 O ATOM 857 OD2 ASP A 57 12.911 -2.359 2.963 1.00 0.00 O ATOM 0 H ASP A 57 15.249 -6.344 2.343 1.00 0.00 H new ATOM 0 HA ASP A 57 12.892 -5.686 3.398 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.640 -4.098 2.627 1.00 0.00 H new ATOM 0 HB3 ASP A 57 14.165 -4.372 0.962 1.00 0.00 H new ATOM 862 N ARG A 58 12.355 -6.213 0.168 1.00 0.00 N ATOM 863 CA ARG A 58 11.324 -6.558 -0.804 1.00 0.00 C ATOM 864 C ARG A 58 10.532 -7.779 -0.347 1.00 0.00 C ATOM 865 O ARG A 58 9.305 -7.738 -0.256 1.00 0.00 O ATOM 866 CB ARG A 58 11.954 -6.828 -2.172 1.00 0.00 C ATOM 867 CG ARG A 58 11.007 -6.588 -3.337 1.00 0.00 C ATOM 868 CD ARG A 58 10.818 -5.103 -3.604 1.00 0.00 C ATOM 869 NE ARG A 58 9.642 -4.841 -4.429 1.00 0.00 N ATOM 870 CZ ARG A 58 9.174 -3.623 -4.677 1.00 0.00 C ATOM 871 NH1 ARG A 58 9.781 -2.560 -4.166 1.00 0.00 N ATOM 872 NH2 ARG A 58 8.099 -3.465 -5.438 1.00 0.00 N ATOM 0 H ARG A 58 13.285 -6.083 -0.231 1.00 0.00 H new ATOM 0 HA ARG A 58 10.640 -5.713 -0.886 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.831 -6.192 -2.291 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.302 -7.860 -2.205 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.398 -7.073 -4.231 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.041 -7.046 -3.123 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.721 -4.574 -2.656 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.704 -4.708 -4.100 1.00 0.00 H new ATOM 0 HE ARG A 58 9.153 -5.637 -4.837 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.609 -2.677 -3.582 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.420 -1.625 -4.358 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.630 -4.280 -5.834 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.741 -2.529 -5.627 1.00 0.00 H new ATOM 886 N PHE A 59 11.243 -8.865 -0.059 1.00 0.00 N ATOM 887 CA PHE A 59 10.606 -10.099 0.388 1.00 0.00 C ATOM 888 C PHE A 59 9.667 -9.832 1.560 1.00 0.00 C ATOM 889 O PHE A 59 8.477 -10.143 1.499 1.00 0.00 O ATOM 890 CB PHE A 59 11.666 -11.126 0.791 1.00 0.00 C ATOM 891 CG PHE A 59 11.097 -12.335 1.477 1.00 0.00 C ATOM 892 CD1 PHE A 59 10.638 -13.415 0.740 1.00 0.00 C ATOM 893 CD2 PHE A 59 11.020 -12.392 2.860 1.00 0.00 C ATOM 894 CE1 PHE A 59 10.114 -14.529 1.368 1.00 0.00 C ATOM 895 CE2 PHE A 59 10.498 -13.504 3.493 1.00 0.00 C ATOM 896 CZ PHE A 59 10.043 -14.573 2.747 1.00 0.00 C ATOM 0 H PHE A 59 12.259 -8.916 -0.127 1.00 0.00 H new ATOM 0 HA PHE A 59 10.020 -10.498 -0.440 1.00 0.00 H new ATOM 0 HB2 PHE A 59 12.209 -11.445 -0.099 1.00 0.00 H new ATOM 0 HB3 PHE A 59 12.390 -10.649 1.452 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.690 -13.386 -0.338 1.00 0.00 H new ATOM 0 HD2 PHE A 59 11.372 -11.558 3.449 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.760 -15.364 0.781 1.00 0.00 H new ATOM 0 HE2 PHE A 59 10.446 -13.537 4.571 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.633 -15.442 3.240 1.00 0.00 H new ATOM 906 N ILE A 60 10.210 -9.255 2.627 1.00 0.00 N ATOM 907 CA ILE A 60 9.422 -8.947 3.813 1.00 0.00 C ATOM 908 C ILE A 60 8.087 -8.313 3.436 1.00 0.00 C ATOM 909 O ILE A 60 7.050 -8.636 4.014 1.00 0.00 O ATOM 910 CB ILE A 60 10.178 -7.997 4.761 1.00 0.00 C ATOM 911 CG1 ILE A 60 11.488 -8.639 5.222 1.00 0.00 C ATOM 912 CG2 ILE A 60 9.308 -7.638 5.956 1.00 0.00 C ATOM 913 CD1 ILE A 60 12.528 -7.636 5.669 1.00 0.00 C ATOM 0 H ILE A 60 11.193 -8.992 2.694 1.00 0.00 H new ATOM 0 HA ILE A 60 9.242 -9.892 4.326 1.00 0.00 H new ATOM 0 HB ILE A 60 10.415 -7.080 4.221 1.00 0.00 H new ATOM 0 HG12 ILE A 60 11.278 -9.323 6.044 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.897 -9.236 4.407 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.856 -6.966 6.616 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.400 -7.145 5.610 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.044 -8.545 6.499 1.00 0.00 H new ATOM 0 HD11 ILE A 60 13.430 -8.162 5.982 1.00 0.00 H new ATOM 0 HD12 ILE A 60 12.767 -6.967 4.843 1.00 0.00 H new ATOM 0 HD13 ILE A 60 12.138 -7.056 6.505 1.00 0.00 H new ATOM 925 N GLN A 61 8.121 -7.410 2.461 1.00 0.00 N ATOM 926 CA GLN A 61 6.913 -6.732 2.005 1.00 0.00 C ATOM 927 C GLN A 61 6.033 -7.676 1.193 1.00 0.00 C ATOM 928 O GLN A 61 4.858 -7.869 1.508 1.00 0.00 O ATOM 929 CB GLN A 61 7.277 -5.506 1.167 1.00 0.00 C ATOM 930 CG GLN A 61 7.428 -4.233 1.984 1.00 0.00 C ATOM 931 CD GLN A 61 7.700 -3.015 1.123 1.00 0.00 C ATOM 932 OE1 GLN A 61 8.655 -2.991 0.345 1.00 0.00 O ATOM 933 NE2 GLN A 61 6.860 -1.996 1.257 1.00 0.00 N ATOM 0 H GLN A 61 8.972 -7.131 1.972 1.00 0.00 H new ATOM 0 HA GLN A 61 6.354 -6.409 2.883 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.210 -5.701 0.639 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.508 -5.353 0.410 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.520 -4.068 2.563 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.243 -4.358 2.697 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.082 -2.059 1.914 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.992 -1.150 0.703 1.00 0.00 H new ATOM 942 N ILE A 62 6.607 -8.260 0.147 1.00 0.00 N ATOM 943 CA ILE A 62 5.875 -9.184 -0.710 1.00 0.00 C ATOM 944 C ILE A 62 5.009 -10.130 0.116 1.00 0.00 C ATOM 945 O ILE A 62 3.844 -10.362 -0.207 1.00 0.00 O ATOM 946 CB ILE A 62 6.829 -10.014 -1.589 1.00 0.00 C ATOM 947 CG1 ILE A 62 7.632 -9.097 -2.514 1.00 0.00 C ATOM 948 CG2 ILE A 62 6.047 -11.038 -2.398 1.00 0.00 C ATOM 949 CD1 ILE A 62 8.882 -9.744 -3.068 1.00 0.00 C ATOM 0 H ILE A 62 7.578 -8.109 -0.128 1.00 0.00 H new ATOM 0 HA ILE A 62 5.237 -8.579 -1.354 1.00 0.00 H new ATOM 0 HB ILE A 62 7.526 -10.546 -0.942 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.997 -8.784 -3.343 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.910 -8.196 -1.967 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.735 -11.617 -3.014 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.515 -11.707 -1.721 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.330 -10.525 -3.039 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.401 -9.037 -3.715 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.537 -10.033 -2.246 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.609 -10.629 -3.643 1.00 0.00 H new ATOM 961 N SER A 63 5.586 -10.672 1.183 1.00 0.00 N ATOM 962 CA SER A 63 4.868 -11.594 2.055 1.00 0.00 C ATOM 963 C SER A 63 3.708 -10.891 2.753 1.00 0.00 C ATOM 964 O SER A 63 2.618 -11.448 2.885 1.00 0.00 O ATOM 965 CB SER A 63 5.819 -12.190 3.095 1.00 0.00 C ATOM 966 OG SER A 63 5.309 -13.406 3.614 1.00 0.00 O ATOM 0 H SER A 63 6.549 -10.489 1.465 1.00 0.00 H new ATOM 0 HA SER A 63 4.464 -12.398 1.439 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.795 -12.365 2.642 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.967 -11.478 3.907 1.00 0.00 H new ATOM 0 HG SER A 63 5.935 -13.768 4.275 1.00 0.00 H new ATOM 972 N LYS A 64 3.951 -9.663 3.199 1.00 0.00 N ATOM 973 CA LYS A 64 2.929 -8.881 3.883 1.00 0.00 C ATOM 974 C LYS A 64 1.758 -8.583 2.951 1.00 0.00 C ATOM 975 O LYS A 64 0.597 -8.748 3.326 1.00 0.00 O ATOM 976 CB LYS A 64 3.524 -7.572 4.406 1.00 0.00 C ATOM 977 CG LYS A 64 4.503 -7.764 5.551 1.00 0.00 C ATOM 978 CD LYS A 64 3.782 -7.969 6.873 1.00 0.00 C ATOM 979 CE LYS A 64 4.749 -8.364 7.980 1.00 0.00 C ATOM 980 NZ LYS A 64 4.133 -8.227 9.329 1.00 0.00 N ATOM 0 H LYS A 64 4.848 -9.188 3.099 1.00 0.00 H new ATOM 0 HA LYS A 64 2.561 -9.467 4.725 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.031 -7.060 3.588 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.715 -6.921 4.736 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.140 -8.624 5.346 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.156 -6.894 5.623 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.263 -7.052 7.152 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.023 -8.743 6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.071 -9.395 7.831 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.641 -7.740 7.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.823 -8.505 10.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.849 -7.238 9.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.296 -8.842 9.393 1.00 0.00 H new ATOM 994 N ALA A 65 2.071 -8.145 1.737 1.00 0.00 N ATOM 995 CA ALA A 65 1.045 -7.827 0.751 1.00 0.00 C ATOM 996 C ALA A 65 0.056 -8.977 0.599 1.00 0.00 C ATOM 997 O ALA A 65 -1.158 -8.773 0.627 1.00 0.00 O ATOM 998 CB ALA A 65 1.685 -7.498 -0.590 1.00 0.00 C ATOM 0 H ALA A 65 3.027 -8.002 1.412 1.00 0.00 H new ATOM 0 HA ALA A 65 0.496 -6.954 1.103 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.907 -7.263 -1.316 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.347 -6.640 -0.476 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.260 -8.356 -0.939 1.00 0.00 H new ATOM 1004 N TYR A 66 0.582 -10.186 0.436 1.00 0.00 N ATOM 1005 CA TYR A 66 -0.256 -11.369 0.276 1.00 0.00 C ATOM 1006 C TYR A 66 -0.973 -11.709 1.579 1.00 0.00 C ATOM 1007 O TYR A 66 -2.164 -12.018 1.582 1.00 0.00 O ATOM 1008 CB TYR A 66 0.589 -12.560 -0.180 1.00 0.00 C ATOM 1009 CG TYR A 66 -0.230 -13.771 -0.565 1.00 0.00 C ATOM 1010 CD1 TYR A 66 -1.398 -13.636 -1.306 1.00 0.00 C ATOM 1011 CD2 TYR A 66 0.163 -15.049 -0.189 1.00 0.00 C ATOM 1012 CE1 TYR A 66 -2.150 -14.740 -1.661 1.00 0.00 C ATOM 1013 CE2 TYR A 66 -0.582 -16.158 -0.540 1.00 0.00 C ATOM 1014 CZ TYR A 66 -1.738 -15.998 -1.276 1.00 0.00 C ATOM 1015 OH TYR A 66 -2.484 -17.100 -1.626 1.00 0.00 O ATOM 0 H TYR A 66 1.584 -10.373 0.411 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.006 -11.152 -0.484 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.198 -12.258 -1.032 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.275 -12.836 0.621 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.723 -12.652 -1.610 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.067 -15.178 0.388 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.055 -14.618 -2.237 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.261 -17.145 -0.240 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.055 -17.909 -1.278 1.00 0.00 H new ATOM 1025 N GLU A 67 -0.238 -11.649 2.685 1.00 0.00 N ATOM 1026 CA GLU A 67 -0.803 -11.951 3.995 1.00 0.00 C ATOM 1027 C GLU A 67 -2.218 -11.392 4.118 1.00 0.00 C ATOM 1028 O GLU A 67 -3.111 -12.048 4.657 1.00 0.00 O ATOM 1029 CB GLU A 67 0.082 -11.375 5.102 1.00 0.00 C ATOM 1030 CG GLU A 67 1.160 -12.334 5.580 1.00 0.00 C ATOM 1031 CD GLU A 67 1.990 -11.761 6.712 1.00 0.00 C ATOM 1032 OE1 GLU A 67 1.396 -11.326 7.721 1.00 0.00 O ATOM 1033 OE2 GLU A 67 3.232 -11.747 6.589 1.00 0.00 O ATOM 0 H GLU A 67 0.750 -11.394 2.700 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.847 -13.035 4.102 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.554 -10.462 4.740 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.545 -11.095 5.949 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.695 -13.263 5.910 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.815 -12.584 4.745 1.00 0.00 H new ATOM 1040 N ILE A 68 -2.415 -10.178 3.616 1.00 0.00 N ATOM 1041 CA ILE A 68 -3.720 -9.532 3.669 1.00 0.00 C ATOM 1042 C ILE A 68 -4.727 -10.252 2.779 1.00 0.00 C ATOM 1043 O ILE A 68 -5.713 -10.809 3.263 1.00 0.00 O ATOM 1044 CB ILE A 68 -3.635 -8.056 3.239 1.00 0.00 C ATOM 1045 CG1 ILE A 68 -2.688 -7.286 4.161 1.00 0.00 C ATOM 1046 CG2 ILE A 68 -5.019 -7.422 3.244 1.00 0.00 C ATOM 1047 CD1 ILE A 68 -2.032 -6.096 3.497 1.00 0.00 C ATOM 0 H ILE A 68 -1.687 -9.622 3.168 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.055 -9.582 4.705 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.239 -8.012 2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.243 -6.944 5.035 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.914 -7.964 4.521 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.942 -6.379 2.938 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.667 -7.957 2.550 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.440 -7.476 4.248 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.375 -5.598 4.210 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.449 -6.433 2.640 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.799 -5.398 3.162 1.00 0.00 H new ATOM 1059 N LEU A 69 -4.471 -10.240 1.475 1.00 0.00 N ATOM 1060 CA LEU A 69 -5.354 -10.894 0.516 1.00 0.00 C ATOM 1061 C LEU A 69 -5.461 -12.388 0.805 1.00 0.00 C ATOM 1062 O LEU A 69 -6.545 -12.900 1.083 1.00 0.00 O ATOM 1063 CB LEU A 69 -4.843 -10.674 -0.909 1.00 0.00 C ATOM 1064 CG LEU A 69 -4.616 -9.219 -1.324 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -3.649 -9.143 -2.495 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -5.938 -8.553 -1.677 1.00 0.00 C ATOM 0 H LEU A 69 -3.659 -9.785 1.058 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.346 -10.452 0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.903 -11.214 -1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.555 -11.122 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.177 -8.685 -0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.500 -8.101 -2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.694 -9.582 -2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.060 -9.692 -3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.758 -7.519 -1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.406 -9.088 -2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.599 -8.575 -0.811 1.00 0.00 H new ATOM 1078 N SER A 70 -4.328 -13.080 0.739 1.00 0.00 N ATOM 1079 CA SER A 70 -4.295 -14.516 0.992 1.00 0.00 C ATOM 1080 C SER A 70 -5.308 -14.903 2.065 1.00 0.00 C ATOM 1081 O SER A 70 -6.107 -15.819 1.877 1.00 0.00 O ATOM 1082 CB SER A 70 -2.891 -14.947 1.422 1.00 0.00 C ATOM 1083 OG SER A 70 -2.750 -16.356 1.367 1.00 0.00 O ATOM 0 H SER A 70 -3.422 -12.670 0.513 1.00 0.00 H new ATOM 0 HA SER A 70 -4.558 -15.029 0.067 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.149 -14.479 0.775 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.695 -14.598 2.436 1.00 0.00 H new ATOM 0 HG SER A 70 -2.051 -16.590 0.721 1.00 0.00 H new ATOM 1089 N ASN A 71 -5.268 -14.196 3.190 1.00 0.00 N ATOM 1090 CA ASN A 71 -6.183 -14.465 4.294 1.00 0.00 C ATOM 1091 C ASN A 71 -7.599 -14.015 3.949 1.00 0.00 C ATOM 1092 O ASN A 71 -7.806 -12.904 3.461 1.00 0.00 O ATOM 1093 CB ASN A 71 -5.705 -13.756 5.563 1.00 0.00 C ATOM 1094 CG ASN A 71 -4.760 -14.612 6.383 1.00 0.00 C ATOM 1095 OD1 ASN A 71 -3.603 -14.809 6.011 1.00 0.00 O ATOM 1096 ND2 ASN A 71 -5.250 -15.126 7.505 1.00 0.00 N ATOM 0 H ASN A 71 -4.613 -13.433 3.361 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.196 -15.541 4.469 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.205 -12.827 5.290 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.568 -13.487 6.172 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.661 -15.711 8.098 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -6.215 -14.936 7.774 1.00 0.00 H new ATOM 1103 N GLU A 72 -8.570 -14.886 4.206 1.00 0.00 N ATOM 1104 CA GLU A 72 -9.967 -14.578 3.922 1.00 0.00 C ATOM 1105 C GLU A 72 -10.461 -13.432 4.801 1.00 0.00 C ATOM 1106 O GLU A 72 -11.027 -12.458 4.307 1.00 0.00 O ATOM 1107 CB GLU A 72 -10.840 -15.815 4.141 1.00 0.00 C ATOM 1108 CG GLU A 72 -12.080 -15.847 3.264 1.00 0.00 C ATOM 1109 CD GLU A 72 -12.834 -17.159 3.367 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -13.282 -17.499 4.482 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -12.974 -17.846 2.334 1.00 0.00 O ATOM 0 H GLU A 72 -8.415 -15.810 4.610 1.00 0.00 H new ATOM 0 HA GLU A 72 -10.040 -14.271 2.879 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.245 -16.708 3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.144 -15.854 5.187 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.742 -15.029 3.547 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.791 -15.679 2.227 1.00 0.00 H new ATOM 1118 N GLU A 73 -10.241 -13.558 6.106 1.00 0.00 N ATOM 1119 CA GLU A 73 -10.665 -12.534 7.053 1.00 0.00 C ATOM 1120 C GLU A 73 -10.040 -11.184 6.712 1.00 0.00 C ATOM 1121 O GLU A 73 -10.733 -10.170 6.622 1.00 0.00 O ATOM 1122 CB GLU A 73 -10.284 -12.938 8.479 1.00 0.00 C ATOM 1123 CG GLU A 73 -11.139 -12.277 9.548 1.00 0.00 C ATOM 1124 CD GLU A 73 -12.526 -12.883 9.642 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -12.627 -14.122 9.754 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -13.511 -12.116 9.605 1.00 0.00 O ATOM 0 H GLU A 73 -9.772 -14.358 6.531 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.749 -12.440 6.986 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.369 -14.020 8.576 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.239 -12.683 8.653 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.641 -12.367 10.513 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.226 -11.212 9.332 1.00 0.00 H new ATOM 1133 N LYS A 74 -8.725 -11.179 6.522 1.00 0.00 N ATOM 1134 CA LYS A 74 -8.004 -9.956 6.189 1.00 0.00 C ATOM 1135 C LYS A 74 -8.505 -9.370 4.872 1.00 0.00 C ATOM 1136 O LYS A 74 -8.798 -8.178 4.784 1.00 0.00 O ATOM 1137 CB LYS A 74 -6.502 -10.233 6.098 1.00 0.00 C ATOM 1138 CG LYS A 74 -5.841 -10.454 7.447 1.00 0.00 C ATOM 1139 CD LYS A 74 -4.360 -10.757 7.300 1.00 0.00 C ATOM 1140 CE LYS A 74 -3.731 -11.125 8.635 1.00 0.00 C ATOM 1141 NZ LYS A 74 -4.177 -12.465 9.108 1.00 0.00 N ATOM 0 H LYS A 74 -8.136 -12.009 6.593 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.185 -9.230 6.982 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.341 -11.113 5.475 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.016 -9.395 5.598 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.972 -9.567 8.067 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.332 -11.279 7.963 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.224 -11.576 6.594 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.850 -9.889 6.883 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.645 -11.117 8.539 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.991 -10.372 9.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.533 -12.389 10.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.935 -12.817 8.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.375 -13.126 9.083 1.00 0.00 H new ATOM 1155 N ARG A 75 -8.602 -10.217 3.852 1.00 0.00 N ATOM 1156 CA ARG A 75 -9.067 -9.783 2.541 1.00 0.00 C ATOM 1157 C ARG A 75 -10.431 -9.107 2.644 1.00 0.00 C ATOM 1158 O ARG A 75 -10.592 -7.947 2.262 1.00 0.00 O ATOM 1159 CB ARG A 75 -9.149 -10.975 1.585 1.00 0.00 C ATOM 1160 CG ARG A 75 -9.294 -10.576 0.126 1.00 0.00 C ATOM 1161 CD ARG A 75 -8.778 -11.664 -0.803 1.00 0.00 C ATOM 1162 NE ARG A 75 -9.654 -12.833 -0.817 1.00 0.00 N ATOM 1163 CZ ARG A 75 -10.761 -12.913 -1.547 1.00 0.00 C ATOM 1164 NH1 ARG A 75 -11.126 -11.898 -2.318 1.00 0.00 N ATOM 1165 NH2 ARG A 75 -11.506 -14.011 -1.506 1.00 0.00 N ATOM 0 H ARG A 75 -8.365 -11.207 3.909 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.350 -9.060 2.151 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -8.252 -11.584 1.699 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.996 -11.599 1.868 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.342 -10.374 -0.095 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.746 -9.651 -0.056 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.689 -11.266 -1.814 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.778 -11.964 -0.490 1.00 0.00 H new ATOM 0 HE ARG A 75 -9.402 -13.631 -0.234 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.556 -11.053 -2.352 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.977 -11.963 -2.877 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.229 -14.794 -0.914 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -12.356 -14.072 -2.067 1.00 0.00 H new ATOM 1179 N THR A 76 -11.412 -9.839 3.164 1.00 0.00 N ATOM 1180 CA THR A 76 -12.761 -9.311 3.316 1.00 0.00 C ATOM 1181 C THR A 76 -12.743 -7.936 3.974 1.00 0.00 C ATOM 1182 O THR A 76 -13.258 -6.966 3.420 1.00 0.00 O ATOM 1183 CB THR A 76 -13.643 -10.257 4.153 1.00 0.00 C ATOM 1184 OG1 THR A 76 -13.712 -11.544 3.529 1.00 0.00 O ATOM 1185 CG2 THR A 76 -15.045 -9.690 4.313 1.00 0.00 C ATOM 0 H THR A 76 -11.296 -10.800 3.487 1.00 0.00 H new ATOM 0 HA THR A 76 -13.182 -9.225 2.314 1.00 0.00 H new ATOM 0 HB THR A 76 -13.193 -10.357 5.141 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.878 -12.032 3.693 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.649 -10.375 4.907 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.992 -8.724 4.815 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.501 -9.563 3.331 1.00 0.00 H new