USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 499 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 TYR OH : rot 180:sc= -0.536 USER MOD Set 1.2: A 70 SER OG : rot 111:sc= 0.672 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= -0.588 K(o=-0.59,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.863 K(o=-0.86,f=-3.5!) USER MOD Single : A 49 LYS NZ :NH3+ 160:sc=-0.00797 (180deg=-0.505) USER MOD Single : A 50 ASN : amide:sc= -2.56 K(o=-2.6,f=-8.6!) USER MOD Single : A 51 LYS NZ :NH3+ -171:sc=-0.00409 (180deg=-0.09) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.706 X(o=-0.71,f=-0.58) USER MOD Single : A 74 LYS NZ :NH3+ 162:sc= 0.0774 (180deg=0.0277) USER MOD Single : A 76 THR OG1 : rot 78:sc= 0.703 USER MOD ----------------------------------------------------------------- ATOM 191 N ASP A 16 -1.092 3.734 1.884 1.00 0.00 N ATOM 192 CA ASP A 16 0.347 3.561 2.046 1.00 0.00 C ATOM 193 C ASP A 16 0.905 2.622 0.982 1.00 0.00 C ATOM 194 O ASP A 16 1.786 2.997 0.208 1.00 0.00 O ATOM 195 CB ASP A 16 0.662 3.017 3.441 1.00 0.00 C ATOM 196 CG ASP A 16 2.150 2.999 3.732 1.00 0.00 C ATOM 197 OD1 ASP A 16 2.936 2.772 2.788 1.00 0.00 O ATOM 198 OD2 ASP A 16 2.529 3.210 4.903 1.00 0.00 O ATOM 0 HA ASP A 16 0.821 4.535 1.928 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.156 3.627 4.189 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.264 2.006 3.532 1.00 0.00 H new ATOM 203 N PHE A 17 0.388 1.398 0.949 1.00 0.00 N ATOM 204 CA PHE A 17 0.836 0.404 -0.019 1.00 0.00 C ATOM 205 C PHE A 17 -0.305 -0.533 -0.404 1.00 0.00 C ATOM 206 O PHE A 17 -1.080 -0.967 0.448 1.00 0.00 O ATOM 207 CB PHE A 17 2.004 -0.403 0.551 1.00 0.00 C ATOM 208 CG PHE A 17 1.573 -1.545 1.426 1.00 0.00 C ATOM 209 CD1 PHE A 17 0.974 -2.668 0.878 1.00 0.00 C ATOM 210 CD2 PHE A 17 1.767 -1.496 2.798 1.00 0.00 C ATOM 211 CE1 PHE A 17 0.576 -3.720 1.681 1.00 0.00 C ATOM 212 CE2 PHE A 17 1.371 -2.545 3.606 1.00 0.00 C ATOM 213 CZ PHE A 17 0.775 -3.659 3.046 1.00 0.00 C ATOM 0 H PHE A 17 -0.342 1.071 1.582 1.00 0.00 H new ATOM 0 HA PHE A 17 1.169 0.929 -0.914 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.602 -0.793 -0.273 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.648 0.262 1.126 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.816 -2.722 -0.189 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.233 -0.628 3.240 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.110 -4.589 1.241 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.527 -2.494 4.673 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.465 -4.481 3.675 1.00 0.00 H new ATOM 223 N ASP A 18 -0.400 -0.840 -1.693 1.00 0.00 N ATOM 224 CA ASP A 18 -1.445 -1.726 -2.192 1.00 0.00 C ATOM 225 C ASP A 18 -0.924 -3.152 -2.340 1.00 0.00 C ATOM 226 O ASP A 18 0.213 -3.384 -2.750 1.00 0.00 O ATOM 227 CB ASP A 18 -1.973 -1.221 -3.536 1.00 0.00 C ATOM 228 CG ASP A 18 -3.430 -1.577 -3.757 1.00 0.00 C ATOM 229 OD1 ASP A 18 -4.302 -0.778 -3.359 1.00 0.00 O ATOM 230 OD2 ASP A 18 -3.698 -2.655 -4.327 1.00 0.00 O ATOM 0 H ASP A 18 0.234 -0.489 -2.411 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.260 -1.729 -1.468 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.855 -0.139 -3.586 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.372 -1.644 -4.341 1.00 0.00 H new ATOM 235 N PRO A 19 -1.774 -4.132 -1.997 1.00 0.00 N ATOM 236 CA PRO A 19 -1.421 -5.552 -2.083 1.00 0.00 C ATOM 237 C PRO A 19 -1.295 -6.032 -3.524 1.00 0.00 C ATOM 238 O PRO A 19 -0.426 -6.844 -3.844 1.00 0.00 O ATOM 239 CB PRO A 19 -2.592 -6.251 -1.387 1.00 0.00 C ATOM 240 CG PRO A 19 -3.737 -5.310 -1.536 1.00 0.00 C ATOM 241 CD PRO A 19 -3.145 -3.928 -1.501 1.00 0.00 C ATOM 0 HA PRO A 19 -0.452 -5.759 -1.629 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.809 -7.214 -1.848 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.371 -6.443 -0.337 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.266 -5.484 -2.473 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.460 -5.445 -0.732 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.702 -3.236 -2.133 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.150 -3.514 -0.493 1.00 0.00 H new ATOM 249 N TYR A 20 -2.165 -5.525 -4.390 1.00 0.00 N ATOM 250 CA TYR A 20 -2.152 -5.904 -5.798 1.00 0.00 C ATOM 251 C TYR A 20 -0.916 -5.349 -6.500 1.00 0.00 C ATOM 252 O TYR A 20 -0.283 -6.037 -7.301 1.00 0.00 O ATOM 253 CB TYR A 20 -3.417 -5.402 -6.495 1.00 0.00 C ATOM 254 CG TYR A 20 -4.591 -6.348 -6.376 1.00 0.00 C ATOM 255 CD1 TYR A 20 -5.248 -6.522 -5.164 1.00 0.00 C ATOM 256 CD2 TYR A 20 -5.042 -7.068 -7.475 1.00 0.00 C ATOM 257 CE1 TYR A 20 -6.320 -7.386 -5.051 1.00 0.00 C ATOM 258 CE2 TYR A 20 -6.114 -7.933 -7.371 1.00 0.00 C ATOM 259 CZ TYR A 20 -6.749 -8.089 -6.157 1.00 0.00 C ATOM 260 OH TYR A 20 -7.817 -8.951 -6.049 1.00 0.00 O ATOM 0 H TYR A 20 -2.888 -4.850 -4.142 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.122 -6.992 -5.855 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.695 -4.436 -6.073 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.199 -5.238 -7.550 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.915 -5.973 -4.296 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.546 -6.949 -8.427 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.819 -7.510 -4.101 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -6.453 -8.484 -8.236 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.992 -9.366 -6.919 1.00 0.00 H new ATOM 270 N ARG A 21 -0.580 -4.101 -6.192 1.00 0.00 N ATOM 271 CA ARG A 21 0.579 -3.452 -6.793 1.00 0.00 C ATOM 272 C ARG A 21 1.871 -4.146 -6.371 1.00 0.00 C ATOM 273 O ARG A 21 2.758 -4.383 -7.191 1.00 0.00 O ATOM 274 CB ARG A 21 0.627 -1.976 -6.395 1.00 0.00 C ATOM 275 CG ARG A 21 -0.260 -1.085 -7.250 1.00 0.00 C ATOM 276 CD ARG A 21 0.492 -0.541 -8.454 1.00 0.00 C ATOM 277 NE ARG A 21 0.454 -1.463 -9.586 1.00 0.00 N ATOM 278 CZ ARG A 21 0.612 -1.083 -10.849 1.00 0.00 C ATOM 279 NH1 ARG A 21 0.817 0.194 -11.140 1.00 0.00 N ATOM 280 NH2 ARG A 21 0.564 -1.982 -11.824 1.00 0.00 N ATOM 0 H ARG A 21 -1.094 -3.519 -5.530 1.00 0.00 H new ATOM 0 HA ARG A 21 0.484 -3.526 -7.876 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.326 -1.880 -5.352 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.656 -1.623 -6.464 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.128 -1.651 -7.587 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.633 -0.256 -6.648 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.059 0.415 -8.750 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.529 -0.349 -8.177 1.00 0.00 H new ATOM 0 HE ARG A 21 0.298 -2.453 -9.396 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.854 0.888 -10.393 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.938 0.483 -12.111 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.406 -2.965 -11.604 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.685 -1.690 -12.794 1.00 0.00 H new ATOM 294 N VAL A 22 1.970 -4.469 -5.085 1.00 0.00 N ATOM 295 CA VAL A 22 3.152 -5.136 -4.553 1.00 0.00 C ATOM 296 C VAL A 22 3.333 -6.515 -5.178 1.00 0.00 C ATOM 297 O VAL A 22 4.426 -6.870 -5.620 1.00 0.00 O ATOM 298 CB VAL A 22 3.072 -5.285 -3.022 1.00 0.00 C ATOM 299 CG1 VAL A 22 4.209 -6.154 -2.509 1.00 0.00 C ATOM 300 CG2 VAL A 22 3.090 -3.919 -2.353 1.00 0.00 C ATOM 0 H VAL A 22 1.245 -4.279 -4.393 1.00 0.00 H new ATOM 0 HA VAL A 22 4.008 -4.510 -4.805 1.00 0.00 H new ATOM 0 HB VAL A 22 2.131 -5.775 -2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.135 -6.247 -1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.145 -7.143 -2.964 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.163 -5.696 -2.770 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.033 -4.043 -1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.013 -3.400 -2.611 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.237 -3.334 -2.697 1.00 0.00 H new ATOM 310 N LEU A 23 2.254 -7.289 -5.211 1.00 0.00 N ATOM 311 CA LEU A 23 2.292 -8.631 -5.783 1.00 0.00 C ATOM 312 C LEU A 23 2.431 -8.572 -7.301 1.00 0.00 C ATOM 313 O LEU A 23 2.971 -9.487 -7.920 1.00 0.00 O ATOM 314 CB LEU A 23 1.027 -9.404 -5.405 1.00 0.00 C ATOM 315 CG LEU A 23 0.970 -9.937 -3.973 1.00 0.00 C ATOM 316 CD1 LEU A 23 -0.365 -10.617 -3.710 1.00 0.00 C ATOM 317 CD2 LEU A 23 2.120 -10.899 -3.715 1.00 0.00 C ATOM 0 H LEU A 23 1.342 -7.011 -4.849 1.00 0.00 H new ATOM 0 HA LEU A 23 3.161 -9.148 -5.377 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.167 -8.754 -5.564 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.921 -10.246 -6.089 1.00 0.00 H new ATOM 0 HG LEU A 23 1.067 -9.095 -3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.388 -10.990 -2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.173 -9.900 -3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.492 -11.449 -4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.063 -11.268 -2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.055 -11.738 -4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.068 -10.381 -3.862 1.00 0.00 H new ATOM 329 N GLY A 24 1.941 -7.487 -7.893 1.00 0.00 N ATOM 330 CA GLY A 24 2.023 -7.328 -9.334 1.00 0.00 C ATOM 331 C GLY A 24 0.874 -8.003 -10.057 1.00 0.00 C ATOM 332 O GLY A 24 1.081 -8.706 -11.047 1.00 0.00 O ATOM 0 H GLY A 24 1.489 -6.716 -7.401 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.029 -6.266 -9.580 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.966 -7.743 -9.689 1.00 0.00 H new ATOM 336 N VAL A 25 -0.341 -7.792 -9.562 1.00 0.00 N ATOM 337 CA VAL A 25 -1.527 -8.385 -10.168 1.00 0.00 C ATOM 338 C VAL A 25 -2.644 -7.357 -10.312 1.00 0.00 C ATOM 339 O VAL A 25 -2.635 -6.319 -9.650 1.00 0.00 O ATOM 340 CB VAL A 25 -2.045 -9.576 -9.339 1.00 0.00 C ATOM 341 CG1 VAL A 25 -1.199 -10.813 -9.597 1.00 0.00 C ATOM 342 CG2 VAL A 25 -2.058 -9.228 -7.858 1.00 0.00 C ATOM 0 H VAL A 25 -0.530 -7.215 -8.743 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.233 -8.739 -11.156 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.068 -9.794 -9.646 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.579 -11.644 -9.003 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.246 -11.072 -10.655 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.165 -10.611 -9.318 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.427 -10.080 -7.287 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.047 -8.983 -7.533 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.710 -8.371 -7.691 1.00 0.00 H new ATOM 352 N SER A 26 -3.605 -7.653 -11.182 1.00 0.00 N ATOM 353 CA SER A 26 -4.727 -6.752 -11.416 1.00 0.00 C ATOM 354 C SER A 26 -6.018 -7.334 -10.846 1.00 0.00 C ATOM 355 O SER A 26 -6.056 -8.487 -10.417 1.00 0.00 O ATOM 356 CB SER A 26 -4.892 -6.486 -12.913 1.00 0.00 C ATOM 357 OG SER A 26 -4.134 -5.359 -13.317 1.00 0.00 O ATOM 0 H SER A 26 -3.629 -8.509 -11.736 1.00 0.00 H new ATOM 0 HA SER A 26 -4.517 -5.810 -10.908 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.576 -7.363 -13.478 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.945 -6.321 -13.143 1.00 0.00 H new ATOM 0 HG SER A 26 -4.255 -5.211 -14.278 1.00 0.00 H new ATOM 363 N ARG A 27 -7.074 -6.527 -10.847 1.00 0.00 N ATOM 364 CA ARG A 27 -8.366 -6.960 -10.329 1.00 0.00 C ATOM 365 C ARG A 27 -8.802 -8.269 -10.981 1.00 0.00 C ATOM 366 O ARG A 27 -9.494 -9.082 -10.367 1.00 0.00 O ATOM 367 CB ARG A 27 -9.424 -5.881 -10.571 1.00 0.00 C ATOM 368 CG ARG A 27 -9.400 -5.310 -11.980 1.00 0.00 C ATOM 369 CD ARG A 27 -10.745 -4.711 -12.361 1.00 0.00 C ATOM 370 NE ARG A 27 -10.716 -4.099 -13.687 1.00 0.00 N ATOM 371 CZ ARG A 27 -11.617 -3.221 -14.111 1.00 0.00 C ATOM 372 NH1 ARG A 27 -12.613 -2.852 -13.317 1.00 0.00 N ATOM 373 NH2 ARG A 27 -11.523 -2.708 -15.331 1.00 0.00 N ATOM 0 H ARG A 27 -7.060 -5.570 -11.201 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.263 -7.124 -9.256 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.411 -6.301 -10.375 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -9.275 -5.071 -9.857 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.627 -4.545 -12.051 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -9.137 -6.096 -12.688 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -11.508 -5.489 -12.338 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -11.031 -3.962 -11.622 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.962 -4.361 -14.322 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -12.688 -3.243 -12.378 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -13.304 -2.177 -13.645 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.758 -2.988 -15.944 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.216 -2.034 -15.655 1.00 0.00 H new ATOM 387 N THR A 28 -8.392 -8.468 -12.230 1.00 0.00 N ATOM 388 CA THR A 28 -8.741 -9.677 -12.966 1.00 0.00 C ATOM 389 C THR A 28 -8.132 -10.912 -12.314 1.00 0.00 C ATOM 390 O THR A 28 -8.630 -12.025 -12.483 1.00 0.00 O ATOM 391 CB THR A 28 -8.269 -9.598 -14.430 1.00 0.00 C ATOM 392 OG1 THR A 28 -8.584 -10.817 -15.112 1.00 0.00 O ATOM 393 CG2 THR A 28 -6.771 -9.343 -14.504 1.00 0.00 C ATOM 0 H THR A 28 -7.818 -7.807 -12.753 1.00 0.00 H new ATOM 0 HA THR A 28 -9.828 -9.757 -12.946 1.00 0.00 H new ATOM 0 HB THR A 28 -8.787 -8.768 -14.911 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.282 -10.759 -16.043 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.462 -9.291 -15.548 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.538 -8.400 -14.009 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.239 -10.155 -14.008 1.00 0.00 H new ATOM 401 N ALA A 29 -7.052 -10.709 -11.566 1.00 0.00 N ATOM 402 CA ALA A 29 -6.377 -11.808 -10.885 1.00 0.00 C ATOM 403 C ALA A 29 -7.200 -12.310 -9.704 1.00 0.00 C ATOM 404 O ALA A 29 -7.676 -11.523 -8.887 1.00 0.00 O ATOM 405 CB ALA A 29 -4.995 -11.371 -10.420 1.00 0.00 C ATOM 0 H ALA A 29 -6.626 -9.794 -11.416 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.268 -12.629 -11.593 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.502 -12.201 -9.913 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.400 -11.067 -11.282 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.091 -10.531 -9.732 1.00 0.00 H new ATOM 411 N SER A 30 -7.364 -13.627 -9.621 1.00 0.00 N ATOM 412 CA SER A 30 -8.133 -14.235 -8.542 1.00 0.00 C ATOM 413 C SER A 30 -7.213 -14.918 -7.536 1.00 0.00 C ATOM 414 O SER A 30 -6.013 -15.059 -7.773 1.00 0.00 O ATOM 415 CB SER A 30 -9.132 -15.247 -9.106 1.00 0.00 C ATOM 416 OG SER A 30 -8.470 -16.408 -9.577 1.00 0.00 O ATOM 0 H SER A 30 -6.974 -14.293 -10.288 1.00 0.00 H new ATOM 0 HA SER A 30 -8.679 -13.444 -8.029 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.851 -15.522 -8.334 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.697 -14.791 -9.919 1.00 0.00 H new ATOM 0 HG SER A 30 -9.130 -17.040 -9.931 1.00 0.00 H new ATOM 422 N GLN A 31 -7.784 -15.341 -6.412 1.00 0.00 N ATOM 423 CA GLN A 31 -7.014 -16.009 -5.369 1.00 0.00 C ATOM 424 C GLN A 31 -6.003 -16.977 -5.975 1.00 0.00 C ATOM 425 O GLN A 31 -4.951 -17.235 -5.391 1.00 0.00 O ATOM 426 CB GLN A 31 -7.949 -16.759 -4.418 1.00 0.00 C ATOM 427 CG GLN A 31 -8.716 -15.847 -3.475 1.00 0.00 C ATOM 428 CD GLN A 31 -7.977 -15.596 -2.175 1.00 0.00 C ATOM 429 OE1 GLN A 31 -8.356 -16.112 -1.123 1.00 0.00 O ATOM 430 NE2 GLN A 31 -6.916 -14.801 -2.242 1.00 0.00 N ATOM 0 H GLN A 31 -8.776 -15.233 -6.201 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.471 -15.248 -4.809 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.659 -17.342 -5.005 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.365 -17.467 -3.830 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.905 -14.895 -3.971 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.687 -16.291 -3.256 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.638 -14.395 -3.136 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.378 -14.596 -1.400 1.00 0.00 H new ATOM 439 N ALA A 32 -6.329 -17.509 -7.148 1.00 0.00 N ATOM 440 CA ALA A 32 -5.448 -18.446 -7.833 1.00 0.00 C ATOM 441 C ALA A 32 -4.207 -17.741 -8.372 1.00 0.00 C ATOM 442 O ALA A 32 -3.083 -18.057 -7.981 1.00 0.00 O ATOM 443 CB ALA A 32 -6.193 -19.143 -8.962 1.00 0.00 C ATOM 0 H ALA A 32 -7.197 -17.307 -7.644 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.123 -19.194 -7.110 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.522 -19.840 -9.465 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.044 -19.689 -8.554 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.547 -18.400 -9.677 1.00 0.00 H new ATOM 449 N ASP A 33 -4.419 -16.786 -9.270 1.00 0.00 N ATOM 450 CA ASP A 33 -3.318 -16.036 -9.863 1.00 0.00 C ATOM 451 C ASP A 33 -2.461 -15.384 -8.782 1.00 0.00 C ATOM 452 O ASP A 33 -1.234 -15.353 -8.884 1.00 0.00 O ATOM 453 CB ASP A 33 -3.856 -14.968 -10.817 1.00 0.00 C ATOM 454 CG ASP A 33 -2.769 -14.370 -11.688 1.00 0.00 C ATOM 455 OD1 ASP A 33 -1.743 -15.048 -11.907 1.00 0.00 O ATOM 456 OD2 ASP A 33 -2.944 -13.224 -12.152 1.00 0.00 O ATOM 0 H ASP A 33 -5.343 -16.513 -9.604 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.696 -16.733 -10.424 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.626 -15.406 -11.452 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.332 -14.176 -10.240 1.00 0.00 H new ATOM 461 N ILE A 34 -3.115 -14.865 -7.748 1.00 0.00 N ATOM 462 CA ILE A 34 -2.412 -14.215 -6.649 1.00 0.00 C ATOM 463 C ILE A 34 -1.452 -15.181 -5.963 1.00 0.00 C ATOM 464 O ILE A 34 -0.248 -14.935 -5.898 1.00 0.00 O ATOM 465 CB ILE A 34 -3.396 -13.657 -5.604 1.00 0.00 C ATOM 466 CG1 ILE A 34 -4.436 -12.759 -6.278 1.00 0.00 C ATOM 467 CG2 ILE A 34 -2.645 -12.890 -4.526 1.00 0.00 C ATOM 468 CD1 ILE A 34 -5.686 -12.556 -5.451 1.00 0.00 C ATOM 0 H ILE A 34 -4.130 -14.882 -7.649 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.846 -13.389 -7.080 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.915 -14.492 -5.134 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.986 -11.788 -6.486 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.712 -13.194 -7.238 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.354 -12.502 -3.795 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.940 -13.557 -4.029 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.102 -12.061 -4.980 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.378 -11.910 -5.991 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.160 -13.520 -5.265 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.422 -12.092 -4.501 1.00 0.00 H new ATOM 480 N LYS A 35 -1.994 -16.281 -5.452 1.00 0.00 N ATOM 481 CA LYS A 35 -1.186 -17.287 -4.773 1.00 0.00 C ATOM 482 C LYS A 35 0.017 -17.684 -5.622 1.00 0.00 C ATOM 483 O LYS A 35 1.126 -17.842 -5.112 1.00 0.00 O ATOM 484 CB LYS A 35 -2.032 -18.523 -4.458 1.00 0.00 C ATOM 485 CG LYS A 35 -1.211 -19.734 -4.049 1.00 0.00 C ATOM 486 CD LYS A 35 -2.077 -20.976 -3.917 1.00 0.00 C ATOM 487 CE LYS A 35 -2.830 -20.993 -2.595 1.00 0.00 C ATOM 488 NZ LYS A 35 -2.010 -21.576 -1.497 1.00 0.00 N ATOM 0 H LYS A 35 -2.990 -16.499 -5.495 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.823 -16.855 -3.840 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.730 -18.280 -3.657 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.628 -18.778 -5.334 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.429 -19.911 -4.788 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.713 -19.534 -3.100 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.788 -21.014 -4.742 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.452 -21.866 -3.993 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.122 -19.977 -2.330 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.748 -21.569 -2.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.558 -21.570 -0.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.753 -22.554 -1.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.146 -21.012 -1.372 1.00 0.00 H new ATOM 502 N LYS A 36 -0.209 -17.843 -6.922 1.00 0.00 N ATOM 503 CA LYS A 36 0.856 -18.219 -7.844 1.00 0.00 C ATOM 504 C LYS A 36 1.834 -17.066 -8.044 1.00 0.00 C ATOM 505 O LYS A 36 3.035 -17.280 -8.211 1.00 0.00 O ATOM 506 CB LYS A 36 0.267 -18.641 -9.192 1.00 0.00 C ATOM 507 CG LYS A 36 1.259 -18.568 -10.339 1.00 0.00 C ATOM 508 CD LYS A 36 0.610 -18.940 -11.662 1.00 0.00 C ATOM 509 CE LYS A 36 1.621 -18.939 -12.798 1.00 0.00 C ATOM 510 NZ LYS A 36 1.117 -19.677 -13.990 1.00 0.00 N ATOM 0 H LYS A 36 -1.121 -17.717 -7.361 1.00 0.00 H new ATOM 0 HA LYS A 36 1.397 -19.061 -7.411 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.108 -19.661 -9.112 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.588 -18.004 -9.421 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.668 -17.560 -10.404 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.095 -19.239 -10.141 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.154 -19.927 -11.580 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.191 -18.236 -11.886 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.852 -17.911 -13.078 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.551 -19.393 -12.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.835 -19.653 -14.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.921 -20.665 -13.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.243 -19.229 -14.332 1.00 0.00 H new ATOM 524 N ALA A 37 1.313 -15.843 -8.025 1.00 0.00 N ATOM 525 CA ALA A 37 2.141 -14.657 -8.200 1.00 0.00 C ATOM 526 C ALA A 37 3.070 -14.454 -7.008 1.00 0.00 C ATOM 527 O ALA A 37 4.250 -14.144 -7.173 1.00 0.00 O ATOM 528 CB ALA A 37 1.267 -13.429 -8.405 1.00 0.00 C ATOM 0 H ALA A 37 0.321 -15.648 -7.890 1.00 0.00 H new ATOM 0 HA ALA A 37 2.758 -14.803 -9.087 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.899 -12.550 -8.534 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.650 -13.566 -9.293 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.625 -13.290 -7.535 1.00 0.00 H new ATOM 534 N TYR A 38 2.531 -14.632 -5.807 1.00 0.00 N ATOM 535 CA TYR A 38 3.311 -14.465 -4.587 1.00 0.00 C ATOM 536 C TYR A 38 4.512 -15.406 -4.575 1.00 0.00 C ATOM 537 O TYR A 38 5.661 -14.965 -4.590 1.00 0.00 O ATOM 538 CB TYR A 38 2.436 -14.722 -3.358 1.00 0.00 C ATOM 539 CG TYR A 38 3.226 -15.019 -2.104 1.00 0.00 C ATOM 540 CD1 TYR A 38 3.625 -13.997 -1.251 1.00 0.00 C ATOM 541 CD2 TYR A 38 3.573 -16.323 -1.771 1.00 0.00 C ATOM 542 CE1 TYR A 38 4.348 -14.265 -0.105 1.00 0.00 C ATOM 543 CE2 TYR A 38 4.294 -16.600 -0.625 1.00 0.00 C ATOM 544 CZ TYR A 38 4.680 -15.568 0.204 1.00 0.00 C ATOM 545 OH TYR A 38 5.398 -15.838 1.346 1.00 0.00 O ATOM 0 H TYR A 38 1.557 -14.892 -5.652 1.00 0.00 H new ATOM 0 HA TYR A 38 3.676 -13.438 -4.557 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.806 -13.850 -3.182 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.770 -15.560 -3.565 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.365 -12.976 -1.488 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.274 -17.134 -2.419 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.652 -13.459 0.546 1.00 0.00 H new ATOM 0 HE2 TYR A 38 4.554 -17.619 -0.380 1.00 0.00 H new ATOM 0 HH TYR A 38 5.548 -16.804 1.418 1.00 0.00 H new ATOM 555 N LYS A 39 4.237 -16.705 -4.549 1.00 0.00 N ATOM 556 CA LYS A 39 5.293 -17.711 -4.538 1.00 0.00 C ATOM 557 C LYS A 39 6.492 -17.250 -5.359 1.00 0.00 C ATOM 558 O LYS A 39 7.619 -17.214 -4.865 1.00 0.00 O ATOM 559 CB LYS A 39 4.766 -19.039 -5.086 1.00 0.00 C ATOM 560 CG LYS A 39 4.180 -19.948 -4.019 1.00 0.00 C ATOM 561 CD LYS A 39 2.694 -19.695 -3.826 1.00 0.00 C ATOM 562 CE LYS A 39 2.085 -20.678 -2.837 1.00 0.00 C ATOM 563 NZ LYS A 39 1.586 -21.907 -3.513 1.00 0.00 N ATOM 0 H LYS A 39 3.291 -17.087 -4.535 1.00 0.00 H new ATOM 0 HA LYS A 39 5.615 -17.853 -3.506 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.003 -18.835 -5.837 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.578 -19.562 -5.591 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.339 -20.989 -4.299 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.703 -19.788 -3.076 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.541 -18.676 -3.470 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.182 -19.778 -4.785 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.831 -20.951 -2.091 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.264 -20.197 -2.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.179 -22.551 -2.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.856 -21.649 -4.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.374 -22.380 -3.999 1.00 0.00 H new ATOM 577 N LYS A 40 6.243 -16.898 -6.616 1.00 0.00 N ATOM 578 CA LYS A 40 7.301 -16.436 -7.506 1.00 0.00 C ATOM 579 C LYS A 40 8.094 -15.301 -6.866 1.00 0.00 C ATOM 580 O LYS A 40 9.312 -15.394 -6.707 1.00 0.00 O ATOM 581 CB LYS A 40 6.708 -15.970 -8.838 1.00 0.00 C ATOM 582 CG LYS A 40 7.752 -15.706 -9.909 1.00 0.00 C ATOM 583 CD LYS A 40 8.261 -14.275 -9.851 1.00 0.00 C ATOM 584 CE LYS A 40 7.287 -13.310 -10.510 1.00 0.00 C ATOM 585 NZ LYS A 40 7.843 -11.931 -10.592 1.00 0.00 N ATOM 0 H LYS A 40 5.316 -16.924 -7.041 1.00 0.00 H new ATOM 0 HA LYS A 40 7.978 -17.271 -7.688 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.011 -16.726 -9.200 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.132 -15.060 -8.671 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.587 -16.395 -9.783 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.324 -15.901 -10.892 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.416 -13.985 -8.812 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.229 -14.212 -10.347 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.046 -13.665 -11.512 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.355 -13.293 -9.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.150 -11.304 -11.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.049 -11.582 -9.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.719 -11.943 -11.152 1.00 0.00 H new ATOM 599 N LEU A 41 7.397 -14.232 -6.499 1.00 0.00 N ATOM 600 CA LEU A 41 8.037 -13.079 -5.873 1.00 0.00 C ATOM 601 C LEU A 41 8.848 -13.502 -4.653 1.00 0.00 C ATOM 602 O LEU A 41 9.991 -13.081 -4.479 1.00 0.00 O ATOM 603 CB LEU A 41 6.985 -12.045 -5.468 1.00 0.00 C ATOM 604 CG LEU A 41 6.640 -10.990 -6.519 1.00 0.00 C ATOM 605 CD1 LEU A 41 5.228 -10.467 -6.308 1.00 0.00 C ATOM 606 CD2 LEU A 41 7.645 -9.848 -6.478 1.00 0.00 C ATOM 0 H LEU A 41 6.389 -14.139 -6.624 1.00 0.00 H new ATOM 0 HA LEU A 41 8.716 -12.632 -6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.070 -12.573 -5.199 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.334 -11.534 -4.571 1.00 0.00 H new ATOM 0 HG LEU A 41 6.689 -11.456 -7.503 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.001 -9.717 -7.066 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.519 -11.291 -6.389 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.151 -10.018 -5.318 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.384 -9.106 -7.233 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.628 -9.384 -5.492 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.644 -10.235 -6.680 1.00 0.00 H new ATOM 618 N ALA A 42 8.249 -14.339 -3.812 1.00 0.00 N ATOM 619 CA ALA A 42 8.918 -14.822 -2.610 1.00 0.00 C ATOM 620 C ALA A 42 10.174 -15.613 -2.961 1.00 0.00 C ATOM 621 O ALA A 42 11.190 -15.518 -2.273 1.00 0.00 O ATOM 622 CB ALA A 42 7.967 -15.677 -1.785 1.00 0.00 C ATOM 0 H ALA A 42 7.302 -14.696 -3.941 1.00 0.00 H new ATOM 0 HA ALA A 42 9.218 -13.957 -2.018 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.479 -16.031 -0.890 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.101 -15.082 -1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.639 -16.531 -2.377 1.00 0.00 H new ATOM 628 N ARG A 43 10.096 -16.392 -4.034 1.00 0.00 N ATOM 629 CA ARG A 43 11.227 -17.201 -4.474 1.00 0.00 C ATOM 630 C ARG A 43 12.339 -16.320 -5.035 1.00 0.00 C ATOM 631 O ARG A 43 13.515 -16.520 -4.731 1.00 0.00 O ATOM 632 CB ARG A 43 10.778 -18.210 -5.533 1.00 0.00 C ATOM 633 CG ARG A 43 10.199 -19.488 -4.950 1.00 0.00 C ATOM 634 CD ARG A 43 9.652 -20.399 -6.037 1.00 0.00 C ATOM 635 NE ARG A 43 10.705 -20.889 -6.923 1.00 0.00 N ATOM 636 CZ ARG A 43 10.469 -21.576 -8.035 1.00 0.00 C ATOM 637 NH1 ARG A 43 9.224 -21.853 -8.396 1.00 0.00 N ATOM 638 NH2 ARG A 43 11.481 -21.987 -8.788 1.00 0.00 N ATOM 0 H ARG A 43 9.262 -16.481 -4.615 1.00 0.00 H new ATOM 0 HA ARG A 43 11.615 -17.740 -3.610 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.031 -17.742 -6.174 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.629 -18.462 -6.166 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.970 -20.014 -4.387 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.404 -19.241 -4.247 1.00 0.00 H new ATOM 0 HD2 ARG A 43 9.142 -21.246 -5.577 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.908 -19.858 -6.622 1.00 0.00 H new ATOM 0 HE ARG A 43 11.675 -20.693 -6.674 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.444 -21.538 -7.819 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.046 -22.381 -9.251 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.440 -21.775 -8.513 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.300 -22.515 -9.642 1.00 0.00 H new ATOM 652 N GLU A 44 11.959 -15.345 -5.855 1.00 0.00 N ATOM 653 CA GLU A 44 12.925 -14.435 -6.459 1.00 0.00 C ATOM 654 C GLU A 44 13.537 -13.515 -5.406 1.00 0.00 C ATOM 655 O GLU A 44 14.755 -13.481 -5.229 1.00 0.00 O ATOM 656 CB GLU A 44 12.258 -13.601 -7.554 1.00 0.00 C ATOM 657 CG GLU A 44 12.273 -14.267 -8.920 1.00 0.00 C ATOM 658 CD GLU A 44 13.671 -14.378 -9.499 1.00 0.00 C ATOM 659 OE1 GLU A 44 14.436 -13.397 -9.393 1.00 0.00 O ATOM 660 OE2 GLU A 44 13.998 -15.445 -10.058 1.00 0.00 O ATOM 0 H GLU A 44 10.990 -15.165 -6.116 1.00 0.00 H new ATOM 0 HA GLU A 44 13.721 -15.033 -6.902 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.225 -13.400 -7.268 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.763 -12.637 -7.623 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.837 -15.263 -8.840 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.644 -13.698 -9.605 1.00 0.00 H new ATOM 667 N TRP A 45 12.685 -12.770 -4.712 1.00 0.00 N ATOM 668 CA TRP A 45 13.141 -11.849 -3.677 1.00 0.00 C ATOM 669 C TRP A 45 13.438 -12.592 -2.379 1.00 0.00 C ATOM 670 O TRP A 45 13.644 -11.976 -1.333 1.00 0.00 O ATOM 671 CB TRP A 45 12.090 -10.766 -3.430 1.00 0.00 C ATOM 672 CG TRP A 45 11.793 -9.939 -4.644 1.00 0.00 C ATOM 673 CD1 TRP A 45 10.895 -10.226 -5.632 1.00 0.00 C ATOM 674 CD2 TRP A 45 12.397 -8.690 -4.999 1.00 0.00 C ATOM 675 NE1 TRP A 45 10.904 -9.231 -6.579 1.00 0.00 N ATOM 676 CE2 TRP A 45 11.817 -8.277 -6.214 1.00 0.00 C ATOM 677 CE3 TRP A 45 13.370 -7.880 -4.408 1.00 0.00 C ATOM 678 CZ2 TRP A 45 12.179 -7.091 -6.847 1.00 0.00 C ATOM 679 CZ3 TRP A 45 13.730 -6.704 -5.037 1.00 0.00 C ATOM 680 CH2 TRP A 45 13.135 -6.317 -6.246 1.00 0.00 C ATOM 0 H TRP A 45 11.674 -12.785 -4.847 1.00 0.00 H new ATOM 0 HA TRP A 45 14.062 -11.380 -4.024 1.00 0.00 H new ATOM 0 HB2 TRP A 45 11.169 -11.236 -3.085 1.00 0.00 H new ATOM 0 HB3 TRP A 45 12.434 -10.112 -2.629 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.270 -11.106 -5.664 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.325 -9.206 -7.418 1.00 0.00 H new ATOM 0 HE3 TRP A 45 13.833 -8.168 -3.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 11.722 -6.792 -7.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 14.483 -6.072 -4.590 1.00 0.00 H new ATOM 0 HH2 TRP A 45 13.437 -5.391 -6.712 1.00 0.00 H new ATOM 691 N HIS A 46 13.458 -13.919 -2.453 1.00 0.00 N ATOM 692 CA HIS A 46 13.731 -14.746 -1.283 1.00 0.00 C ATOM 693 C HIS A 46 15.016 -14.302 -0.591 1.00 0.00 C ATOM 694 O HIS A 46 16.123 -14.522 -1.084 1.00 0.00 O ATOM 695 CB HIS A 46 13.838 -16.218 -1.686 1.00 0.00 C ATOM 696 CG HIS A 46 13.412 -17.166 -0.608 1.00 0.00 C ATOM 697 ND1 HIS A 46 12.914 -16.748 0.609 1.00 0.00 N ATOM 698 CD2 HIS A 46 13.409 -18.519 -0.569 1.00 0.00 C ATOM 699 CE1 HIS A 46 12.626 -17.803 1.350 1.00 0.00 C ATOM 700 NE2 HIS A 46 12.917 -18.890 0.658 1.00 0.00 N ATOM 0 H HIS A 46 13.288 -14.444 -3.311 1.00 0.00 H new ATOM 0 HA HIS A 46 12.903 -14.627 -0.584 1.00 0.00 H new ATOM 0 HB2 HIS A 46 13.226 -16.389 -2.572 1.00 0.00 H new ATOM 0 HB3 HIS A 46 14.869 -16.436 -1.964 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.733 -19.183 -1.356 1.00 0.00 H new ATOM 0 HE1 HIS A 46 12.221 -17.781 2.351 1.00 0.00 H new ATOM 0 HE2 HIS A 46 12.796 -19.849 0.983 1.00 0.00 H new ATOM 708 N PRO A 47 14.869 -13.660 0.577 1.00 0.00 N ATOM 709 CA PRO A 47 16.007 -13.171 1.361 1.00 0.00 C ATOM 710 C PRO A 47 16.819 -14.307 1.975 1.00 0.00 C ATOM 711 O PRO A 47 18.023 -14.174 2.192 1.00 0.00 O ATOM 712 CB PRO A 47 15.347 -12.332 2.458 1.00 0.00 C ATOM 713 CG PRO A 47 13.977 -12.900 2.598 1.00 0.00 C ATOM 714 CD PRO A 47 13.579 -13.364 1.224 1.00 0.00 C ATOM 0 HA PRO A 47 16.716 -12.615 0.748 1.00 0.00 H new ATOM 0 HB2 PRO A 47 15.901 -12.399 3.394 1.00 0.00 H new ATOM 0 HB3 PRO A 47 15.312 -11.278 2.183 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.968 -13.728 3.307 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.280 -12.151 2.974 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.939 -14.246 1.267 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.026 -12.595 0.685 1.00 0.00 H new ATOM 722 N ASP A 48 16.152 -15.422 2.252 1.00 0.00 N ATOM 723 CA ASP A 48 16.812 -16.582 2.840 1.00 0.00 C ATOM 724 C ASP A 48 17.965 -17.055 1.959 1.00 0.00 C ATOM 725 O ASP A 48 18.942 -17.622 2.448 1.00 0.00 O ATOM 726 CB ASP A 48 15.809 -17.718 3.043 1.00 0.00 C ATOM 727 CG ASP A 48 16.487 -19.056 3.262 1.00 0.00 C ATOM 728 OD1 ASP A 48 17.050 -19.263 4.357 1.00 0.00 O ATOM 729 OD2 ASP A 48 16.455 -19.897 2.339 1.00 0.00 O ATOM 0 H ASP A 48 15.155 -15.547 2.079 1.00 0.00 H new ATOM 0 HA ASP A 48 17.216 -16.288 3.809 1.00 0.00 H new ATOM 0 HB2 ASP A 48 15.175 -17.490 3.900 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.156 -17.783 2.172 1.00 0.00 H new ATOM 734 N LYS A 49 17.843 -16.819 0.657 1.00 0.00 N ATOM 735 CA LYS A 49 18.873 -17.221 -0.293 1.00 0.00 C ATOM 736 C LYS A 49 19.633 -16.006 -0.817 1.00 0.00 C ATOM 737 O LYS A 49 20.810 -16.101 -1.163 1.00 0.00 O ATOM 738 CB LYS A 49 18.248 -17.987 -1.461 1.00 0.00 C ATOM 739 CG LYS A 49 19.250 -18.393 -2.528 1.00 0.00 C ATOM 740 CD LYS A 49 18.774 -19.607 -3.307 1.00 0.00 C ATOM 741 CE LYS A 49 19.273 -20.901 -2.684 1.00 0.00 C ATOM 742 NZ LYS A 49 18.313 -21.440 -1.681 1.00 0.00 N ATOM 0 H LYS A 49 17.041 -16.351 0.236 1.00 0.00 H new ATOM 0 HA LYS A 49 19.576 -17.872 0.226 1.00 0.00 H new ATOM 0 HB2 LYS A 49 17.757 -18.881 -1.077 1.00 0.00 H new ATOM 0 HB3 LYS A 49 17.474 -17.369 -1.917 1.00 0.00 H new ATOM 0 HG2 LYS A 49 19.411 -17.560 -3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 49 20.210 -18.612 -2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 49 17.685 -19.615 -3.340 1.00 0.00 H new ATOM 0 HD3 LYS A 49 19.124 -19.540 -4.337 1.00 0.00 H new ATOM 0 HE2 LYS A 49 19.435 -21.642 -3.467 1.00 0.00 H new ATOM 0 HE3 LYS A 49 20.237 -20.726 -2.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 18.500 -22.452 -1.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 18.427 -20.929 -0.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 17.341 -21.315 -2.029 1.00 0.00 H new ATOM 756 N ASN A 50 18.953 -14.866 -0.871 1.00 0.00 N ATOM 757 CA ASN A 50 19.565 -13.632 -1.351 1.00 0.00 C ATOM 758 C ASN A 50 20.768 -13.252 -0.493 1.00 0.00 C ATOM 759 O ASN A 50 20.830 -13.583 0.691 1.00 0.00 O ATOM 760 CB ASN A 50 18.541 -12.495 -1.347 1.00 0.00 C ATOM 761 CG ASN A 50 18.809 -11.472 -2.434 1.00 0.00 C ATOM 762 OD1 ASN A 50 19.949 -11.056 -2.643 1.00 0.00 O ATOM 763 ND2 ASN A 50 17.757 -11.060 -3.131 1.00 0.00 N ATOM 0 H ASN A 50 17.978 -14.771 -0.588 1.00 0.00 H new ATOM 0 HA ASN A 50 19.908 -13.799 -2.372 1.00 0.00 H new ATOM 0 HB2 ASN A 50 17.542 -12.909 -1.480 1.00 0.00 H new ATOM 0 HB3 ASN A 50 18.554 -12.001 -0.376 1.00 0.00 H new ATOM 0 HD21 ASN A 50 17.875 -10.372 -3.874 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.830 -11.432 -2.923 1.00 0.00 H new ATOM 770 N LYS A 51 21.722 -12.553 -1.099 1.00 0.00 N ATOM 771 CA LYS A 51 22.923 -12.125 -0.391 1.00 0.00 C ATOM 772 C LYS A 51 23.008 -10.603 -0.336 1.00 0.00 C ATOM 773 O LYS A 51 23.542 -10.036 0.618 1.00 0.00 O ATOM 774 CB LYS A 51 24.170 -12.691 -1.073 1.00 0.00 C ATOM 775 CG LYS A 51 24.563 -14.071 -0.574 1.00 0.00 C ATOM 776 CD LYS A 51 23.808 -15.166 -1.308 1.00 0.00 C ATOM 777 CE LYS A 51 24.193 -16.546 -0.799 1.00 0.00 C ATOM 778 NZ LYS A 51 25.605 -16.885 -1.131 1.00 0.00 N ATOM 0 H LYS A 51 21.687 -12.271 -2.079 1.00 0.00 H new ATOM 0 HA LYS A 51 22.869 -12.506 0.629 1.00 0.00 H new ATOM 0 HB2 LYS A 51 23.996 -12.739 -2.148 1.00 0.00 H new ATOM 0 HB3 LYS A 51 25.003 -12.006 -0.915 1.00 0.00 H new ATOM 0 HG2 LYS A 51 25.635 -14.215 -0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 51 24.362 -14.143 0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 51 22.736 -15.017 -1.182 1.00 0.00 H new ATOM 0 HD3 LYS A 51 24.016 -15.100 -2.376 1.00 0.00 H new ATOM 0 HE2 LYS A 51 24.054 -16.587 0.281 1.00 0.00 H new ATOM 0 HE3 LYS A 51 23.528 -17.292 -1.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 25.784 -17.884 -0.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 25.772 -16.724 -2.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 26.246 -16.284 -0.575 1.00 0.00 H new ATOM 792 N ASP A 52 22.477 -9.948 -1.362 1.00 0.00 N ATOM 793 CA ASP A 52 22.491 -8.491 -1.429 1.00 0.00 C ATOM 794 C ASP A 52 21.684 -7.887 -0.284 1.00 0.00 C ATOM 795 O ASP A 52 20.573 -8.322 0.022 1.00 0.00 O ATOM 796 CB ASP A 52 21.932 -8.015 -2.770 1.00 0.00 C ATOM 797 CG ASP A 52 22.974 -8.032 -3.871 1.00 0.00 C ATOM 798 OD1 ASP A 52 23.842 -8.929 -3.852 1.00 0.00 O ATOM 799 OD2 ASP A 52 22.922 -7.147 -4.751 1.00 0.00 O ATOM 0 H ASP A 52 22.031 -10.403 -2.159 1.00 0.00 H new ATOM 0 HA ASP A 52 23.525 -8.158 -1.337 1.00 0.00 H new ATOM 0 HB2 ASP A 52 21.094 -8.650 -3.057 1.00 0.00 H new ATOM 0 HB3 ASP A 52 21.542 -7.003 -2.659 1.00 0.00 H new ATOM 804 N PRO A 53 22.253 -6.861 0.366 1.00 0.00 N ATOM 805 CA PRO A 53 21.604 -6.177 1.488 1.00 0.00 C ATOM 806 C PRO A 53 20.399 -5.354 1.046 1.00 0.00 C ATOM 807 O PRO A 53 20.544 -4.337 0.369 1.00 0.00 O ATOM 808 CB PRO A 53 22.706 -5.262 2.031 1.00 0.00 C ATOM 809 CG PRO A 53 23.609 -5.027 0.869 1.00 0.00 C ATOM 810 CD PRO A 53 23.575 -6.291 0.056 1.00 0.00 C ATOM 0 HA PRO A 53 21.214 -6.880 2.224 1.00 0.00 H new ATOM 0 HB2 PRO A 53 22.294 -4.326 2.408 1.00 0.00 H new ATOM 0 HB3 PRO A 53 23.239 -5.731 2.858 1.00 0.00 H new ATOM 0 HG2 PRO A 53 23.272 -4.174 0.279 1.00 0.00 H new ATOM 0 HG3 PRO A 53 24.623 -4.804 1.201 1.00 0.00 H new ATOM 0 HD2 PRO A 53 23.685 -6.087 -1.009 1.00 0.00 H new ATOM 0 HD3 PRO A 53 24.381 -6.970 0.335 1.00 0.00 H new ATOM 818 N GLY A 54 19.208 -5.801 1.434 1.00 0.00 N ATOM 819 CA GLY A 54 17.995 -5.094 1.068 1.00 0.00 C ATOM 820 C GLY A 54 16.881 -6.033 0.650 1.00 0.00 C ATOM 821 O GLY A 54 15.717 -5.813 0.983 1.00 0.00 O ATOM 0 H GLY A 54 19.062 -6.640 1.995 1.00 0.00 H new ATOM 0 HA2 GLY A 54 17.660 -4.491 1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 54 18.212 -4.406 0.251 1.00 0.00 H new ATOM 825 N ALA A 55 17.237 -7.081 -0.085 1.00 0.00 N ATOM 826 CA ALA A 55 16.259 -8.056 -0.550 1.00 0.00 C ATOM 827 C ALA A 55 15.181 -8.297 0.502 1.00 0.00 C ATOM 828 O ALA A 55 13.990 -8.306 0.192 1.00 0.00 O ATOM 829 CB ALA A 55 16.947 -9.364 -0.911 1.00 0.00 C ATOM 0 H ALA A 55 18.196 -7.277 -0.371 1.00 0.00 H new ATOM 0 HA ALA A 55 15.778 -7.653 -1.441 1.00 0.00 H new ATOM 0 HB1 ALA A 55 16.204 -10.083 -1.257 1.00 0.00 H new ATOM 0 HB2 ALA A 55 17.675 -9.186 -1.702 1.00 0.00 H new ATOM 0 HB3 ALA A 55 17.456 -9.762 -0.033 1.00 0.00 H new ATOM 835 N GLU A 56 15.608 -8.492 1.746 1.00 0.00 N ATOM 836 CA GLU A 56 14.678 -8.735 2.843 1.00 0.00 C ATOM 837 C GLU A 56 13.581 -7.675 2.870 1.00 0.00 C ATOM 838 O GLU A 56 12.397 -7.995 2.977 1.00 0.00 O ATOM 839 CB GLU A 56 15.423 -8.747 4.179 1.00 0.00 C ATOM 840 CG GLU A 56 14.526 -9.022 5.374 1.00 0.00 C ATOM 841 CD GLU A 56 15.212 -8.740 6.696 1.00 0.00 C ATOM 842 OE1 GLU A 56 15.654 -7.591 6.903 1.00 0.00 O ATOM 843 OE2 GLU A 56 15.307 -9.670 7.525 1.00 0.00 O ATOM 0 H GLU A 56 16.591 -8.486 2.019 1.00 0.00 H new ATOM 0 HA GLU A 56 14.215 -9.709 2.684 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.206 -9.504 4.142 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.916 -7.785 4.319 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.627 -8.410 5.297 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.205 -10.063 5.350 1.00 0.00 H new ATOM 850 N ASP A 57 13.983 -6.413 2.773 1.00 0.00 N ATOM 851 CA ASP A 57 13.035 -5.305 2.786 1.00 0.00 C ATOM 852 C ASP A 57 11.817 -5.621 1.922 1.00 0.00 C ATOM 853 O ASP A 57 10.677 -5.496 2.370 1.00 0.00 O ATOM 854 CB ASP A 57 13.708 -4.024 2.290 1.00 0.00 C ATOM 855 CG ASP A 57 12.812 -2.808 2.429 1.00 0.00 C ATOM 856 OD1 ASP A 57 12.328 -2.553 3.551 1.00 0.00 O ATOM 857 OD2 ASP A 57 12.597 -2.112 1.415 1.00 0.00 O ATOM 0 H ASP A 57 14.959 -6.131 2.684 1.00 0.00 H new ATOM 0 HA ASP A 57 12.701 -5.157 3.813 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.628 -3.860 2.851 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.990 -4.147 1.244 1.00 0.00 H new ATOM 862 N ARG A 58 12.068 -6.031 0.683 1.00 0.00 N ATOM 863 CA ARG A 58 10.992 -6.363 -0.243 1.00 0.00 C ATOM 864 C ARG A 58 10.207 -7.576 0.247 1.00 0.00 C ATOM 865 O ARG A 58 8.976 -7.559 0.283 1.00 0.00 O ATOM 866 CB ARG A 58 11.558 -6.639 -1.637 1.00 0.00 C ATOM 867 CG ARG A 58 10.557 -6.410 -2.758 1.00 0.00 C ATOM 868 CD ARG A 58 10.222 -4.934 -2.912 1.00 0.00 C ATOM 869 NE ARG A 58 11.400 -4.137 -3.243 1.00 0.00 N ATOM 870 CZ ARG A 58 11.853 -3.974 -4.481 1.00 0.00 C ATOM 871 NH1 ARG A 58 11.230 -4.550 -5.500 1.00 0.00 N ATOM 872 NH2 ARG A 58 12.932 -3.234 -4.702 1.00 0.00 N ATOM 0 H ARG A 58 13.006 -6.141 0.298 1.00 0.00 H new ATOM 0 HA ARG A 58 10.315 -5.510 -0.294 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.426 -6.000 -1.800 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.909 -7.670 -1.680 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.964 -6.792 -3.694 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.646 -6.972 -2.554 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.471 -4.812 -3.693 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.782 -4.564 -1.986 1.00 0.00 H new ATOM 0 HE ARG A 58 11.903 -3.680 -2.482 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.401 -5.120 -5.334 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.580 -4.423 -6.450 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.414 -2.790 -3.921 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.279 -3.110 -5.653 1.00 0.00 H new ATOM 886 N PHE A 59 10.927 -8.628 0.625 1.00 0.00 N ATOM 887 CA PHE A 59 10.298 -9.850 1.112 1.00 0.00 C ATOM 888 C PHE A 59 9.208 -9.531 2.132 1.00 0.00 C ATOM 889 O PHE A 59 8.102 -10.068 2.062 1.00 0.00 O ATOM 890 CB PHE A 59 11.345 -10.772 1.739 1.00 0.00 C ATOM 891 CG PHE A 59 10.858 -12.178 1.947 1.00 0.00 C ATOM 892 CD1 PHE A 59 10.761 -13.056 0.880 1.00 0.00 C ATOM 893 CD2 PHE A 59 10.496 -12.621 3.209 1.00 0.00 C ATOM 894 CE1 PHE A 59 10.314 -14.351 1.067 1.00 0.00 C ATOM 895 CE2 PHE A 59 10.049 -13.914 3.402 1.00 0.00 C ATOM 896 CZ PHE A 59 9.956 -14.780 2.330 1.00 0.00 C ATOM 0 H PHE A 59 11.946 -8.658 0.603 1.00 0.00 H new ATOM 0 HA PHE A 59 9.839 -10.357 0.263 1.00 0.00 H new ATOM 0 HB2 PHE A 59 12.228 -10.793 1.101 1.00 0.00 H new ATOM 0 HB3 PHE A 59 11.655 -10.358 2.698 1.00 0.00 H new ATOM 0 HD1 PHE A 59 11.038 -12.725 -0.110 1.00 0.00 H new ATOM 0 HD2 PHE A 59 10.564 -11.948 4.051 1.00 0.00 H new ATOM 0 HE1 PHE A 59 10.245 -15.026 0.227 1.00 0.00 H new ATOM 0 HE2 PHE A 59 9.772 -14.248 4.391 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.604 -15.790 2.479 1.00 0.00 H new ATOM 906 N ILE A 60 9.529 -8.655 3.077 1.00 0.00 N ATOM 907 CA ILE A 60 8.578 -8.264 4.111 1.00 0.00 C ATOM 908 C ILE A 60 7.275 -7.763 3.498 1.00 0.00 C ATOM 909 O ILE A 60 6.191 -8.213 3.867 1.00 0.00 O ATOM 910 CB ILE A 60 9.158 -7.168 5.024 1.00 0.00 C ATOM 911 CG1 ILE A 60 10.451 -7.653 5.682 1.00 0.00 C ATOM 912 CG2 ILE A 60 8.139 -6.764 6.079 1.00 0.00 C ATOM 913 CD1 ILE A 60 11.379 -6.530 6.091 1.00 0.00 C ATOM 0 H ILE A 60 10.440 -8.202 3.149 1.00 0.00 H new ATOM 0 HA ILE A 60 8.377 -9.154 4.708 1.00 0.00 H new ATOM 0 HB ILE A 60 9.389 -6.293 4.416 1.00 0.00 H new ATOM 0 HG12 ILE A 60 10.201 -8.246 6.562 1.00 0.00 H new ATOM 0 HG13 ILE A 60 10.975 -8.313 4.991 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.563 -5.989 6.717 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.242 -6.382 5.591 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.880 -7.632 6.686 1.00 0.00 H new ATOM 0 HD11 ILE A 60 12.275 -6.947 6.550 1.00 0.00 H new ATOM 0 HD12 ILE A 60 11.659 -5.950 5.211 1.00 0.00 H new ATOM 0 HD13 ILE A 60 10.873 -5.882 6.806 1.00 0.00 H new ATOM 925 N GLN A 61 7.390 -6.830 2.558 1.00 0.00 N ATOM 926 CA GLN A 61 6.220 -6.268 1.893 1.00 0.00 C ATOM 927 C GLN A 61 5.440 -7.353 1.156 1.00 0.00 C ATOM 928 O GLN A 61 4.262 -7.580 1.433 1.00 0.00 O ATOM 929 CB GLN A 61 6.642 -5.172 0.913 1.00 0.00 C ATOM 930 CG GLN A 61 7.048 -3.874 1.591 1.00 0.00 C ATOM 931 CD GLN A 61 7.319 -2.758 0.602 1.00 0.00 C ATOM 932 OE1 GLN A 61 8.259 -2.830 -0.191 1.00 0.00 O ATOM 933 NE2 GLN A 61 6.495 -1.717 0.642 1.00 0.00 N ATOM 0 H GLN A 61 8.281 -6.448 2.240 1.00 0.00 H new ATOM 0 HA GLN A 61 5.573 -5.834 2.655 1.00 0.00 H new ATOM 0 HB2 GLN A 61 7.476 -5.535 0.312 1.00 0.00 H new ATOM 0 HB3 GLN A 61 5.818 -4.972 0.228 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.258 -3.564 2.275 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.941 -4.046 2.192 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.729 -1.699 1.315 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.628 -0.936 -0.001 1.00 0.00 H new ATOM 942 N ILE A 62 6.105 -8.017 0.216 1.00 0.00 N ATOM 943 CA ILE A 62 5.474 -9.078 -0.559 1.00 0.00 C ATOM 944 C ILE A 62 4.594 -9.956 0.324 1.00 0.00 C ATOM 945 O ILE A 62 3.478 -10.313 -0.053 1.00 0.00 O ATOM 946 CB ILE A 62 6.521 -9.961 -1.262 1.00 0.00 C ATOM 947 CG1 ILE A 62 7.357 -9.125 -2.233 1.00 0.00 C ATOM 948 CG2 ILE A 62 5.842 -11.110 -1.992 1.00 0.00 C ATOM 949 CD1 ILE A 62 8.688 -9.754 -2.580 1.00 0.00 C ATOM 0 H ILE A 62 7.080 -7.839 -0.027 1.00 0.00 H new ATOM 0 HA ILE A 62 4.856 -8.592 -1.314 1.00 0.00 H new ATOM 0 HB ILE A 62 7.187 -10.379 -0.507 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.788 -8.970 -3.149 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.532 -8.142 -1.796 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.596 -11.725 -2.484 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.288 -11.718 -1.277 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.155 -10.711 -2.739 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.227 -9.107 -3.272 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.277 -9.884 -1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.521 -10.725 -3.046 1.00 0.00 H new ATOM 961 N SER A 63 5.104 -10.300 1.502 1.00 0.00 N ATOM 962 CA SER A 63 4.366 -11.138 2.439 1.00 0.00 C ATOM 963 C SER A 63 3.249 -10.347 3.114 1.00 0.00 C ATOM 964 O SER A 63 2.181 -10.883 3.407 1.00 0.00 O ATOM 965 CB SER A 63 5.311 -11.711 3.497 1.00 0.00 C ATOM 966 OG SER A 63 4.796 -12.914 4.043 1.00 0.00 O ATOM 0 H SER A 63 6.026 -10.011 1.830 1.00 0.00 H new ATOM 0 HA SER A 63 3.918 -11.959 1.878 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.288 -11.899 3.053 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.457 -10.980 4.292 1.00 0.00 H new ATOM 0 HG SER A 63 5.419 -13.261 4.715 1.00 0.00 H new ATOM 972 N LYS A 64 3.505 -9.066 3.357 1.00 0.00 N ATOM 973 CA LYS A 64 2.523 -8.197 3.995 1.00 0.00 C ATOM 974 C LYS A 64 1.416 -7.816 3.018 1.00 0.00 C ATOM 975 O LYS A 64 0.347 -7.361 3.423 1.00 0.00 O ATOM 976 CB LYS A 64 3.202 -6.934 4.531 1.00 0.00 C ATOM 977 CG LYS A 64 4.122 -7.192 5.711 1.00 0.00 C ATOM 978 CD LYS A 64 3.350 -7.247 7.019 1.00 0.00 C ATOM 979 CE LYS A 64 4.272 -7.506 8.200 1.00 0.00 C ATOM 980 NZ LYS A 64 3.596 -7.243 9.500 1.00 0.00 N ATOM 0 H LYS A 64 4.385 -8.606 3.122 1.00 0.00 H new ATOM 0 HA LYS A 64 2.077 -8.744 4.826 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.776 -6.472 3.728 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.436 -6.218 4.828 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.653 -8.132 5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.875 -6.406 5.765 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.820 -6.307 7.169 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.597 -8.033 6.965 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.616 -8.540 8.172 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.156 -6.874 8.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.258 -7.431 10.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.290 -6.250 9.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.767 -7.864 9.592 1.00 0.00 H new ATOM 994 N ALA A 65 1.679 -8.008 1.729 1.00 0.00 N ATOM 995 CA ALA A 65 0.703 -7.688 0.694 1.00 0.00 C ATOM 996 C ALA A 65 -0.211 -8.876 0.417 1.00 0.00 C ATOM 997 O ALA A 65 -1.414 -8.711 0.211 1.00 0.00 O ATOM 998 CB ALA A 65 1.410 -7.254 -0.581 1.00 0.00 C ATOM 0 H ALA A 65 2.560 -8.383 1.377 1.00 0.00 H new ATOM 0 HA ALA A 65 0.086 -6.864 1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.670 -7.018 -1.345 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.016 -6.371 -0.378 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.051 -8.061 -0.934 1.00 0.00 H new ATOM 1004 N TYR A 66 0.366 -10.073 0.411 1.00 0.00 N ATOM 1005 CA TYR A 66 -0.398 -11.288 0.155 1.00 0.00 C ATOM 1006 C TYR A 66 -1.199 -11.698 1.387 1.00 0.00 C ATOM 1007 O TYR A 66 -2.361 -12.089 1.283 1.00 0.00 O ATOM 1008 CB TYR A 66 0.538 -12.425 -0.260 1.00 0.00 C ATOM 1009 CG TYR A 66 -0.186 -13.697 -0.638 1.00 0.00 C ATOM 1010 CD1 TYR A 66 -1.308 -13.665 -1.458 1.00 0.00 C ATOM 1011 CD2 TYR A 66 0.250 -14.932 -0.174 1.00 0.00 C ATOM 1012 CE1 TYR A 66 -1.973 -14.825 -1.805 1.00 0.00 C ATOM 1013 CE2 TYR A 66 -0.408 -16.097 -0.518 1.00 0.00 C ATOM 1014 CZ TYR A 66 -1.519 -16.038 -1.333 1.00 0.00 C ATOM 1015 OH TYR A 66 -2.178 -17.197 -1.676 1.00 0.00 O ATOM 0 H TYR A 66 1.360 -10.227 0.580 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.095 -11.084 -0.658 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.143 -12.096 -1.105 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.224 -12.637 0.560 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.666 -12.717 -1.830 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.118 -14.982 0.467 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.844 -14.782 -2.443 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.054 -17.049 -0.151 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.729 -17.963 -1.261 1.00 0.00 H new ATOM 1025 N GLU A 67 -0.568 -11.604 2.553 1.00 0.00 N ATOM 1026 CA GLU A 67 -1.221 -11.965 3.806 1.00 0.00 C ATOM 1027 C GLU A 67 -2.626 -11.373 3.877 1.00 0.00 C ATOM 1028 O GLU A 67 -3.517 -11.936 4.514 1.00 0.00 O ATOM 1029 CB GLU A 67 -0.391 -11.483 4.997 1.00 0.00 C ATOM 1030 CG GLU A 67 -0.358 -9.971 5.144 1.00 0.00 C ATOM 1031 CD GLU A 67 0.117 -9.528 6.514 1.00 0.00 C ATOM 1032 OE1 GLU A 67 1.281 -9.820 6.861 1.00 0.00 O ATOM 1033 OE2 GLU A 67 -0.674 -8.890 7.239 1.00 0.00 O ATOM 0 H GLU A 67 0.394 -11.281 2.656 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.301 -13.051 3.845 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.794 -11.920 5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.629 -11.852 4.891 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.298 -9.550 4.382 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.355 -9.570 4.962 1.00 0.00 H new ATOM 1040 N ILE A 68 -2.815 -10.233 3.221 1.00 0.00 N ATOM 1041 CA ILE A 68 -4.110 -9.564 3.209 1.00 0.00 C ATOM 1042 C ILE A 68 -5.099 -10.297 2.310 1.00 0.00 C ATOM 1043 O ILE A 68 -6.234 -10.566 2.706 1.00 0.00 O ATOM 1044 CB ILE A 68 -3.986 -8.105 2.734 1.00 0.00 C ATOM 1045 CG1 ILE A 68 -3.097 -7.308 3.691 1.00 0.00 C ATOM 1046 CG2 ILE A 68 -5.361 -7.465 2.623 1.00 0.00 C ATOM 1047 CD1 ILE A 68 -2.640 -5.980 3.127 1.00 0.00 C ATOM 0 H ILE A 68 -2.088 -9.753 2.691 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.479 -9.573 4.235 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.523 -8.098 1.747 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.642 -7.131 4.618 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.222 -7.906 3.945 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.256 -6.434 2.286 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.965 -8.021 1.906 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.849 -7.480 3.597 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.014 -5.470 3.859 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.067 -6.150 2.215 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.509 -5.363 2.900 1.00 0.00 H new ATOM 1059 N LEU A 69 -4.661 -10.620 1.098 1.00 0.00 N ATOM 1060 CA LEU A 69 -5.507 -11.325 0.141 1.00 0.00 C ATOM 1061 C LEU A 69 -5.603 -12.807 0.487 1.00 0.00 C ATOM 1062 O LEU A 69 -6.694 -13.336 0.702 1.00 0.00 O ATOM 1063 CB LEU A 69 -4.959 -11.155 -1.277 1.00 0.00 C ATOM 1064 CG LEU A 69 -4.635 -9.723 -1.704 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -3.654 -9.722 -2.867 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -5.907 -8.976 -2.076 1.00 0.00 C ATOM 0 H LEU A 69 -3.725 -10.405 0.755 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.507 -10.894 0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.053 -11.754 -1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.686 -11.566 -1.978 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.170 -9.210 -0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.435 -8.694 -3.157 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.732 -10.218 -2.565 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.092 -10.253 -3.713 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.657 -7.959 -2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.401 -9.488 -2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.576 -8.945 -1.216 1.00 0.00 H new ATOM 1078 N SER A 70 -4.453 -13.472 0.541 1.00 0.00 N ATOM 1079 CA SER A 70 -4.407 -14.895 0.860 1.00 0.00 C ATOM 1080 C SER A 70 -5.486 -15.259 1.876 1.00 0.00 C ATOM 1081 O SER A 70 -6.254 -16.198 1.673 1.00 0.00 O ATOM 1082 CB SER A 70 -3.029 -15.272 1.406 1.00 0.00 C ATOM 1083 OG SER A 70 -2.874 -16.679 1.472 1.00 0.00 O ATOM 0 H SER A 70 -3.541 -13.049 0.368 1.00 0.00 H new ATOM 0 HA SER A 70 -4.592 -15.454 -0.057 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.253 -14.847 0.769 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.897 -14.842 2.399 1.00 0.00 H new ATOM 0 HG SER A 70 -2.211 -16.967 0.810 1.00 0.00 H new ATOM 1089 N ASN A 71 -5.536 -14.507 2.971 1.00 0.00 N ATOM 1090 CA ASN A 71 -6.520 -14.750 4.020 1.00 0.00 C ATOM 1091 C ASN A 71 -7.885 -14.193 3.626 1.00 0.00 C ATOM 1092 O ASN A 71 -8.019 -13.006 3.332 1.00 0.00 O ATOM 1093 CB ASN A 71 -6.060 -14.119 5.336 1.00 0.00 C ATOM 1094 CG ASN A 71 -5.227 -15.071 6.173 1.00 0.00 C ATOM 1095 OD1 ASN A 71 -5.583 -16.236 6.346 1.00 0.00 O ATOM 1096 ND2 ASN A 71 -4.112 -14.576 6.698 1.00 0.00 N ATOM 0 H ASN A 71 -4.907 -13.725 3.155 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.612 -15.828 4.154 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.478 -13.223 5.122 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.932 -13.803 5.909 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.511 -15.168 7.271 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.856 -13.603 6.528 1.00 0.00 H new ATOM 1103 N GLU A 72 -8.893 -15.060 3.623 1.00 0.00 N ATOM 1104 CA GLU A 72 -10.247 -14.653 3.265 1.00 0.00 C ATOM 1105 C GLU A 72 -10.742 -13.540 4.184 1.00 0.00 C ATOM 1106 O GLU A 72 -11.378 -12.587 3.734 1.00 0.00 O ATOM 1107 CB GLU A 72 -11.198 -15.850 3.338 1.00 0.00 C ATOM 1108 CG GLU A 72 -11.389 -16.391 4.745 1.00 0.00 C ATOM 1109 CD GLU A 72 -12.542 -15.729 5.473 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -12.932 -14.611 5.076 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -13.054 -16.329 6.441 1.00 0.00 O ATOM 0 H GLU A 72 -8.798 -16.047 3.864 1.00 0.00 H new ATOM 0 HA GLU A 72 -10.227 -14.274 2.243 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -12.168 -15.558 2.935 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.815 -16.647 2.700 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.564 -17.466 4.696 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.472 -16.243 5.315 1.00 0.00 H new ATOM 1118 N GLU A 73 -10.446 -13.669 5.473 1.00 0.00 N ATOM 1119 CA GLU A 73 -10.862 -12.674 6.455 1.00 0.00 C ATOM 1120 C GLU A 73 -10.135 -11.351 6.231 1.00 0.00 C ATOM 1121 O GLU A 73 -10.762 -10.307 6.052 1.00 0.00 O ATOM 1122 CB GLU A 73 -10.594 -13.182 7.873 1.00 0.00 C ATOM 1123 CG GLU A 73 -11.288 -14.496 8.191 1.00 0.00 C ATOM 1124 CD GLU A 73 -10.692 -15.194 9.397 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -9.604 -15.793 9.258 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -11.312 -15.143 10.480 1.00 0.00 O ATOM 0 H GLU A 73 -9.920 -14.452 5.862 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.932 -12.506 6.333 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.520 -13.306 8.008 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.920 -12.427 8.588 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.347 -14.309 8.371 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.223 -15.155 7.326 1.00 0.00 H new ATOM 1133 N LYS A 74 -8.807 -11.403 6.244 1.00 0.00 N ATOM 1134 CA LYS A 74 -7.992 -10.211 6.042 1.00 0.00 C ATOM 1135 C LYS A 74 -8.384 -9.496 4.752 1.00 0.00 C ATOM 1136 O LYS A 74 -8.568 -8.279 4.737 1.00 0.00 O ATOM 1137 CB LYS A 74 -6.508 -10.583 6.000 1.00 0.00 C ATOM 1138 CG LYS A 74 -5.958 -11.037 7.341 1.00 0.00 C ATOM 1139 CD LYS A 74 -4.439 -10.986 7.366 1.00 0.00 C ATOM 1140 CE LYS A 74 -3.897 -11.217 8.768 1.00 0.00 C ATOM 1141 NZ LYS A 74 -2.411 -11.127 8.810 1.00 0.00 N ATOM 0 H LYS A 74 -8.272 -12.259 6.392 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.167 -9.536 6.879 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.362 -11.378 5.269 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.936 -9.722 5.654 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.357 -10.403 8.133 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.292 -12.054 7.547 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.037 -11.741 6.690 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.100 -10.017 6.999 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.325 -10.481 9.449 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.212 -12.199 9.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.099 -10.984 9.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.999 -12.008 8.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.095 -10.326 8.227 1.00 0.00 H new ATOM 1155 N ARG A 75 -8.512 -10.261 3.673 1.00 0.00 N ATOM 1156 CA ARG A 75 -8.883 -9.700 2.379 1.00 0.00 C ATOM 1157 C ARG A 75 -10.151 -8.859 2.494 1.00 0.00 C ATOM 1158 O ARG A 75 -10.175 -7.694 2.097 1.00 0.00 O ATOM 1159 CB ARG A 75 -9.090 -10.818 1.355 1.00 0.00 C ATOM 1160 CG ARG A 75 -9.281 -10.314 -0.066 1.00 0.00 C ATOM 1161 CD ARG A 75 -9.240 -11.454 -1.071 1.00 0.00 C ATOM 1162 NE ARG A 75 -10.363 -12.373 -0.902 1.00 0.00 N ATOM 1163 CZ ARG A 75 -10.814 -13.168 -1.866 1.00 0.00 C ATOM 1164 NH1 ARG A 75 -10.240 -13.157 -3.062 1.00 0.00 N ATOM 1165 NH2 ARG A 75 -11.840 -13.977 -1.635 1.00 0.00 N ATOM 0 H ARG A 75 -8.364 -11.270 3.669 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.070 -9.056 2.044 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -8.230 -11.487 1.382 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.961 -11.406 1.643 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.235 -9.793 -0.143 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.502 -9.589 -0.304 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -9.254 -11.047 -2.082 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.304 -12.001 -0.961 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.826 -12.406 0.006 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.450 -12.537 -3.243 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.588 -13.768 -3.800 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.283 -13.989 -0.716 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -12.185 -14.587 -2.376 1.00 0.00 H new ATOM 1179 N THR A 76 -11.205 -9.459 3.040 1.00 0.00 N ATOM 1180 CA THR A 76 -12.477 -8.767 3.205 1.00 0.00 C ATOM 1181 C THR A 76 -12.340 -7.585 4.158 1.00 0.00 C ATOM 1182 O THR A 76 -12.903 -6.517 3.922 1.00 0.00 O ATOM 1183 CB THR A 76 -13.567 -9.716 3.736 1.00 0.00 C ATOM 1184 OG1 THR A 76 -13.622 -10.899 2.931 1.00 0.00 O ATOM 1185 CG2 THR A 76 -14.927 -9.033 3.736 1.00 0.00 C ATOM 0 H THR A 76 -11.202 -10.422 3.375 1.00 0.00 H new ATOM 0 HA THR A 76 -12.770 -8.404 2.220 1.00 0.00 H new ATOM 0 HB THR A 76 -13.314 -9.986 4.761 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.880 -11.493 3.171 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.681 -9.723 4.115 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.890 -8.150 4.373 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.185 -8.736 2.719 1.00 0.00 H new