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 66 TYR OH : rot 180:sc= 0.0152 USER MOD Set 1.2: A 70 SER OG : rot 91:sc= 0.16 USER MOD Set 2.1: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 63 SER OG : rot 180:sc= 0 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=0.000627 USER MOD Single : A 31 GLN : amide:sc= -0.929 K(o=-0.93,f=-0.28) 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 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= -3.59! C(o=-3.6!,f=-3.4!) USER MOD Single : A 49 LYS NZ :NH3+ -145:sc= -1.37 (180deg=-3.07!) USER MOD Single : A 50 ASN : amide:sc= -3.16! C(o=-3.2!,f=-2.5!) USER MOD Single : A 51 LYS NZ :NH3+ -125:sc= 0.0187 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.906! C(o=-0.91!,f=-0.95!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -3.07! C(o=-3.1!,f=-19!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 80:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 191 N ASP A 16 -0.780 2.525 4.478 1.00 0.00 N ATOM 192 CA ASP A 16 0.591 2.795 4.061 1.00 0.00 C ATOM 193 C ASP A 16 0.804 2.399 2.604 1.00 0.00 C ATOM 194 O ASP A 16 1.125 3.237 1.762 1.00 0.00 O ATOM 195 CB ASP A 16 1.577 2.044 4.957 1.00 0.00 C ATOM 196 CG ASP A 16 1.823 2.756 6.273 1.00 0.00 C ATOM 197 OD1 ASP A 16 2.102 3.972 6.246 1.00 0.00 O ATOM 198 OD2 ASP A 16 1.737 2.096 7.330 1.00 0.00 O ATOM 0 HA ASP A 16 0.769 3.866 4.157 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.193 1.043 5.155 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.523 1.924 4.430 1.00 0.00 H new ATOM 203 N PHE A 17 0.626 1.114 2.314 1.00 0.00 N ATOM 204 CA PHE A 17 0.801 0.605 0.958 1.00 0.00 C ATOM 205 C PHE A 17 -0.313 -0.374 0.598 1.00 0.00 C ATOM 206 O PHE A 17 -0.957 -0.949 1.475 1.00 0.00 O ATOM 207 CB PHE A 17 2.162 -0.079 0.819 1.00 0.00 C ATOM 208 CG PHE A 17 2.312 -1.298 1.684 1.00 0.00 C ATOM 209 CD1 PHE A 17 1.590 -2.449 1.412 1.00 0.00 C ATOM 210 CD2 PHE A 17 3.174 -1.293 2.769 1.00 0.00 C ATOM 211 CE1 PHE A 17 1.725 -3.572 2.207 1.00 0.00 C ATOM 212 CE2 PHE A 17 3.313 -2.412 3.567 1.00 0.00 C ATOM 213 CZ PHE A 17 2.589 -3.554 3.285 1.00 0.00 C ATOM 0 H PHE A 17 0.361 0.406 2.999 1.00 0.00 H new ATOM 0 HA PHE A 17 0.755 1.449 0.270 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.313 -0.362 -0.223 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.946 0.635 1.072 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.914 -2.469 0.570 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.744 -0.404 2.993 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.156 -4.463 1.986 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.987 -2.394 4.411 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.698 -4.431 3.906 1.00 0.00 H new ATOM 223 N ASP A 18 -0.532 -0.559 -0.700 1.00 0.00 N ATOM 224 CA ASP A 18 -1.567 -1.469 -1.178 1.00 0.00 C ATOM 225 C ASP A 18 -0.988 -2.853 -1.452 1.00 0.00 C ATOM 226 O ASP A 18 0.129 -2.999 -1.949 1.00 0.00 O ATOM 227 CB ASP A 18 -2.217 -0.914 -2.446 1.00 0.00 C ATOM 228 CG ASP A 18 -3.380 0.011 -2.143 1.00 0.00 C ATOM 229 OD1 ASP A 18 -3.149 1.069 -1.521 1.00 0.00 O ATOM 230 OD2 ASP A 18 -4.520 -0.323 -2.528 1.00 0.00 O ATOM 0 H ASP A 18 -0.007 -0.091 -1.439 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.325 -1.560 -0.400 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.470 -0.375 -3.028 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.566 -1.741 -3.064 1.00 0.00 H new ATOM 235 N PRO A 19 -1.765 -3.896 -1.121 1.00 0.00 N ATOM 236 CA PRO A 19 -1.350 -5.287 -1.322 1.00 0.00 C ATOM 237 C PRO A 19 -1.298 -5.669 -2.797 1.00 0.00 C ATOM 238 O PRO A 19 -0.298 -6.205 -3.275 1.00 0.00 O ATOM 239 CB PRO A 19 -2.436 -6.089 -0.600 1.00 0.00 C ATOM 240 CG PRO A 19 -3.633 -5.202 -0.613 1.00 0.00 C ATOM 241 CD PRO A 19 -3.108 -3.796 -0.525 1.00 0.00 C ATOM 0 HA PRO A 19 -0.344 -5.471 -0.945 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.636 -7.032 -1.109 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.136 -6.334 0.419 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.215 -5.345 -1.524 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.293 -5.425 0.225 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.740 -3.096 -1.072 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.065 -3.447 0.507 1.00 0.00 H new ATOM 249 N TYR A 20 -2.381 -5.390 -3.514 1.00 0.00 N ATOM 250 CA TYR A 20 -2.459 -5.706 -4.936 1.00 0.00 C ATOM 251 C TYR A 20 -1.319 -5.045 -5.704 1.00 0.00 C ATOM 252 O TYR A 20 -0.781 -5.618 -6.653 1.00 0.00 O ATOM 253 CB TYR A 20 -3.804 -5.253 -5.507 1.00 0.00 C ATOM 254 CG TYR A 20 -4.960 -6.143 -5.111 1.00 0.00 C ATOM 255 CD1 TYR A 20 -5.676 -5.907 -3.944 1.00 0.00 C ATOM 256 CD2 TYR A 20 -5.337 -7.220 -5.904 1.00 0.00 C ATOM 257 CE1 TYR A 20 -6.733 -6.718 -3.578 1.00 0.00 C ATOM 258 CE2 TYR A 20 -6.394 -8.035 -5.547 1.00 0.00 C ATOM 259 CZ TYR A 20 -7.088 -7.780 -4.383 1.00 0.00 C ATOM 260 OH TYR A 20 -8.140 -8.590 -4.023 1.00 0.00 O ATOM 0 H TYR A 20 -3.217 -4.946 -3.134 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.370 -6.787 -5.048 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.008 -4.236 -5.172 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.736 -5.222 -6.594 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.402 -5.075 -3.312 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.794 -7.424 -6.815 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.278 -6.521 -2.667 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -6.675 -8.867 -6.176 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.260 -9.290 -4.698 1.00 0.00 H new ATOM 270 N ARG A 21 -0.955 -3.837 -5.287 1.00 0.00 N ATOM 271 CA ARG A 21 0.121 -3.097 -5.936 1.00 0.00 C ATOM 272 C ARG A 21 1.477 -3.725 -5.626 1.00 0.00 C ATOM 273 O ARG A 21 2.342 -3.821 -6.496 1.00 0.00 O ATOM 274 CB ARG A 21 0.109 -1.636 -5.483 1.00 0.00 C ATOM 275 CG ARG A 21 -1.100 -0.857 -5.975 1.00 0.00 C ATOM 276 CD ARG A 21 -0.834 -0.208 -7.325 1.00 0.00 C ATOM 277 NE ARG A 21 -1.058 -1.135 -8.431 1.00 0.00 N ATOM 278 CZ ARG A 21 -1.016 -0.777 -9.709 1.00 0.00 C ATOM 279 NH1 ARG A 21 -0.759 0.481 -10.041 1.00 0.00 N ATOM 280 NH2 ARG A 21 -1.231 -1.678 -10.659 1.00 0.00 N ATOM 0 H ARG A 21 -1.389 -3.350 -4.503 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.042 -3.138 -7.013 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.134 -1.602 -4.394 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.016 -1.146 -5.839 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.957 -1.526 -6.054 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.361 -0.089 -5.246 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.481 0.661 -7.443 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.194 0.153 -7.357 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.258 -2.111 -8.210 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.593 1.177 -9.314 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.727 0.753 -11.024 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.429 -2.647 -10.408 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.199 -1.402 -11.640 1.00 0.00 H new ATOM 294 N VAL A 22 1.655 -4.151 -4.379 1.00 0.00 N ATOM 295 CA VAL A 22 2.904 -4.770 -3.954 1.00 0.00 C ATOM 296 C VAL A 22 3.160 -6.069 -4.711 1.00 0.00 C ATOM 297 O VAL A 22 4.192 -6.226 -5.364 1.00 0.00 O ATOM 298 CB VAL A 22 2.899 -5.063 -2.441 1.00 0.00 C ATOM 299 CG1 VAL A 22 4.077 -5.949 -2.065 1.00 0.00 C ATOM 300 CG2 VAL A 22 2.923 -3.766 -1.648 1.00 0.00 C ATOM 0 H VAL A 22 0.949 -4.078 -3.646 1.00 0.00 H new ATOM 0 HA VAL A 22 3.701 -4.060 -4.177 1.00 0.00 H new ATOM 0 HB VAL A 22 1.981 -5.596 -2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.057 -6.145 -0.993 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.011 -6.892 -2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.008 -5.446 -2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.919 -3.991 -0.582 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.823 -3.204 -1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.044 -3.171 -1.896 1.00 0.00 H new ATOM 310 N LEU A 23 2.214 -6.997 -4.619 1.00 0.00 N ATOM 311 CA LEU A 23 2.335 -8.283 -5.296 1.00 0.00 C ATOM 312 C LEU A 23 2.480 -8.094 -6.803 1.00 0.00 C ATOM 313 O LEU A 23 3.173 -8.859 -7.471 1.00 0.00 O ATOM 314 CB LEU A 23 1.117 -9.157 -4.995 1.00 0.00 C ATOM 315 CG LEU A 23 1.114 -9.860 -3.637 1.00 0.00 C ATOM 316 CD1 LEU A 23 -0.231 -10.523 -3.382 1.00 0.00 C ATOM 317 CD2 LEU A 23 2.237 -10.884 -3.565 1.00 0.00 C ATOM 0 H LEU A 23 1.354 -6.883 -4.082 1.00 0.00 H new ATOM 0 HA LEU A 23 3.231 -8.779 -4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.224 -8.536 -5.062 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.037 -9.915 -5.774 1.00 0.00 H new ATOM 0 HG LEU A 23 1.280 -9.112 -2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.214 -11.018 -2.411 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.017 -9.767 -3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.427 -11.259 -4.161 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.220 -11.375 -2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.101 -11.629 -4.349 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.195 -10.383 -3.702 1.00 0.00 H new ATOM 329 N GLY A 24 1.822 -7.066 -7.331 1.00 0.00 N ATOM 330 CA GLY A 24 1.892 -6.793 -8.755 1.00 0.00 C ATOM 331 C GLY A 24 0.693 -7.332 -9.508 1.00 0.00 C ATOM 332 O GLY A 24 0.818 -7.788 -10.645 1.00 0.00 O ATOM 0 H GLY A 24 1.242 -6.418 -6.798 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.962 -5.717 -8.912 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.801 -7.235 -9.162 1.00 0.00 H new ATOM 336 N VAL A 25 -0.474 -7.282 -8.873 1.00 0.00 N ATOM 337 CA VAL A 25 -1.702 -7.770 -9.491 1.00 0.00 C ATOM 338 C VAL A 25 -2.762 -6.676 -9.546 1.00 0.00 C ATOM 339 O VAL A 25 -2.661 -5.664 -8.852 1.00 0.00 O ATOM 340 CB VAL A 25 -2.270 -8.982 -8.729 1.00 0.00 C ATOM 341 CG1 VAL A 25 -1.517 -10.249 -9.103 1.00 0.00 C ATOM 342 CG2 VAL A 25 -2.213 -8.742 -7.228 1.00 0.00 C ATOM 0 H VAL A 25 -0.595 -6.909 -7.931 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.446 -8.075 -10.506 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.314 -9.111 -9.014 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.932 -11.094 -8.555 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.615 -10.428 -10.174 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.463 -10.134 -8.849 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.618 -9.608 -6.705 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.178 -8.586 -6.924 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.802 -7.859 -6.978 1.00 0.00 H new ATOM 352 N SER A 26 -3.779 -6.885 -10.375 1.00 0.00 N ATOM 353 CA SER A 26 -4.857 -5.915 -10.524 1.00 0.00 C ATOM 354 C SER A 26 -6.181 -6.496 -10.038 1.00 0.00 C ATOM 355 O SER A 26 -6.292 -7.697 -9.791 1.00 0.00 O ATOM 356 CB SER A 26 -4.983 -5.480 -11.985 1.00 0.00 C ATOM 357 OG SER A 26 -4.169 -4.352 -12.254 1.00 0.00 O ATOM 0 H SER A 26 -3.879 -7.718 -10.954 1.00 0.00 H new ATOM 0 HA SER A 26 -4.616 -5.045 -9.914 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.696 -6.304 -12.639 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.023 -5.243 -12.209 1.00 0.00 H new ATOM 0 HG SER A 26 -4.266 -4.095 -13.195 1.00 0.00 H new ATOM 363 N ARG A 27 -7.184 -5.634 -9.903 1.00 0.00 N ATOM 364 CA ARG A 27 -8.501 -6.060 -9.446 1.00 0.00 C ATOM 365 C ARG A 27 -8.892 -7.392 -10.079 1.00 0.00 C ATOM 366 O ARG A 27 -9.214 -8.354 -9.381 1.00 0.00 O ATOM 367 CB ARG A 27 -9.549 -4.997 -9.781 1.00 0.00 C ATOM 368 CG ARG A 27 -9.581 -4.616 -11.252 1.00 0.00 C ATOM 369 CD ARG A 27 -10.137 -3.215 -11.452 1.00 0.00 C ATOM 370 NE ARG A 27 -10.179 -2.839 -12.863 1.00 0.00 N ATOM 371 CZ ARG A 27 -10.241 -1.581 -13.287 1.00 0.00 C ATOM 372 NH1 ARG A 27 -10.267 -0.584 -12.413 1.00 0.00 N ATOM 373 NH2 ARG A 27 -10.275 -1.319 -14.587 1.00 0.00 N ATOM 0 H ARG A 27 -7.109 -4.637 -10.104 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.458 -6.190 -8.365 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.533 -5.364 -9.488 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -9.352 -4.104 -9.187 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.574 -4.672 -11.665 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -10.191 -5.333 -11.802 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -11.141 -3.160 -11.032 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.523 -2.500 -10.904 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.160 -3.583 -13.561 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.239 -0.782 -11.413 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.315 0.381 -12.741 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.254 -2.083 -15.262 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.323 -0.353 -14.912 1.00 0.00 H new ATOM 387 N THR A 28 -8.861 -7.442 -11.407 1.00 0.00 N ATOM 388 CA THR A 28 -9.213 -8.655 -12.135 1.00 0.00 C ATOM 389 C THR A 28 -8.587 -9.885 -11.489 1.00 0.00 C ATOM 390 O THR A 28 -9.187 -10.959 -11.466 1.00 0.00 O ATOM 391 CB THR A 28 -8.766 -8.577 -13.607 1.00 0.00 C ATOM 392 OG1 THR A 28 -9.257 -9.712 -14.329 1.00 0.00 O ATOM 393 CG2 THR A 28 -7.249 -8.523 -13.709 1.00 0.00 C ATOM 0 H THR A 28 -8.596 -6.656 -12.001 1.00 0.00 H new ATOM 0 HA THR A 28 -10.299 -8.742 -12.098 1.00 0.00 H new ATOM 0 HB THR A 28 -9.177 -7.665 -14.041 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.970 -9.654 -15.264 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.957 -8.468 -14.758 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.880 -7.642 -13.183 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.822 -9.420 -13.260 1.00 0.00 H new ATOM 401 N ALA A 29 -7.376 -9.721 -10.966 1.00 0.00 N ATOM 402 CA ALA A 29 -6.669 -10.818 -10.317 1.00 0.00 C ATOM 403 C ALA A 29 -7.429 -11.311 -9.090 1.00 0.00 C ATOM 404 O ALA A 29 -7.808 -10.523 -8.224 1.00 0.00 O ATOM 405 CB ALA A 29 -5.263 -10.385 -9.930 1.00 0.00 C ATOM 0 H ALA A 29 -6.864 -8.839 -10.979 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.601 -11.643 -11.026 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.747 -11.214 -9.446 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.715 -10.088 -10.824 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.319 -9.542 -9.242 1.00 0.00 H new ATOM 411 N SER A 30 -7.648 -12.621 -9.022 1.00 0.00 N ATOM 412 CA SER A 30 -8.367 -13.218 -7.903 1.00 0.00 C ATOM 413 C SER A 30 -7.423 -14.035 -7.025 1.00 0.00 C ATOM 414 O SER A 30 -6.252 -14.215 -7.356 1.00 0.00 O ATOM 415 CB SER A 30 -9.503 -14.107 -8.414 1.00 0.00 C ATOM 416 OG SER A 30 -10.490 -14.298 -7.416 1.00 0.00 O ATOM 0 H SER A 30 -7.338 -13.288 -9.728 1.00 0.00 H new ATOM 0 HA SER A 30 -8.788 -12.412 -7.303 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.956 -13.653 -9.295 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.102 -15.072 -8.723 1.00 0.00 H new ATOM 0 HG SER A 30 -11.205 -14.868 -7.768 1.00 0.00 H new ATOM 422 N GLN A 31 -7.944 -14.526 -5.905 1.00 0.00 N ATOM 423 CA GLN A 31 -7.148 -15.323 -4.979 1.00 0.00 C ATOM 424 C GLN A 31 -6.162 -16.210 -5.732 1.00 0.00 C ATOM 425 O GLN A 31 -4.948 -16.062 -5.595 1.00 0.00 O ATOM 426 CB GLN A 31 -8.058 -16.183 -4.100 1.00 0.00 C ATOM 427 CG GLN A 31 -8.628 -15.439 -2.904 1.00 0.00 C ATOM 428 CD GLN A 31 -7.736 -15.529 -1.681 1.00 0.00 C ATOM 429 OE1 GLN A 31 -7.734 -16.535 -0.972 1.00 0.00 O ATOM 430 NE2 GLN A 31 -6.970 -14.474 -1.429 1.00 0.00 N ATOM 0 H GLN A 31 -8.913 -14.386 -5.617 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.583 -14.640 -4.345 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.880 -16.564 -4.706 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.496 -17.047 -3.746 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.772 -14.391 -3.168 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.610 -15.845 -2.663 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.004 -13.661 -2.044 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.348 -14.477 -0.621 1.00 0.00 H new ATOM 439 N ALA A 32 -6.693 -17.133 -6.528 1.00 0.00 N ATOM 440 CA ALA A 32 -5.860 -18.043 -7.304 1.00 0.00 C ATOM 441 C ALA A 32 -4.653 -17.318 -7.890 1.00 0.00 C ATOM 442 O ALA A 32 -3.508 -17.657 -7.590 1.00 0.00 O ATOM 443 CB ALA A 32 -6.677 -18.691 -8.412 1.00 0.00 C ATOM 0 H ALA A 32 -7.696 -17.270 -6.652 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.494 -18.821 -6.634 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.042 -19.368 -8.984 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.504 -19.251 -7.975 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.071 -17.919 -9.073 1.00 0.00 H new ATOM 449 N ASP A 33 -4.917 -16.320 -8.726 1.00 0.00 N ATOM 450 CA ASP A 33 -3.851 -15.546 -9.353 1.00 0.00 C ATOM 451 C ASP A 33 -2.879 -15.012 -8.307 1.00 0.00 C ATOM 452 O ASP A 33 -1.662 -15.117 -8.464 1.00 0.00 O ATOM 453 CB ASP A 33 -4.440 -14.387 -10.160 1.00 0.00 C ATOM 454 CG ASP A 33 -3.374 -13.444 -10.681 1.00 0.00 C ATOM 455 OD1 ASP A 33 -2.496 -13.045 -9.888 1.00 0.00 O ATOM 456 OD2 ASP A 33 -3.418 -13.105 -11.882 1.00 0.00 O ATOM 0 H ASP A 33 -5.859 -16.028 -8.985 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.304 -16.206 -10.026 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.010 -14.785 -10.999 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.139 -13.831 -9.535 1.00 0.00 H new ATOM 461 N ILE A 34 -3.423 -14.437 -7.239 1.00 0.00 N ATOM 462 CA ILE A 34 -2.604 -13.886 -6.167 1.00 0.00 C ATOM 463 C ILE A 34 -1.585 -14.908 -5.674 1.00 0.00 C ATOM 464 O ILE A 34 -0.378 -14.724 -5.832 1.00 0.00 O ATOM 465 CB ILE A 34 -3.468 -13.424 -4.979 1.00 0.00 C ATOM 466 CG1 ILE A 34 -4.508 -12.403 -5.443 1.00 0.00 C ATOM 467 CG2 ILE A 34 -2.591 -12.834 -3.885 1.00 0.00 C ATOM 468 CD1 ILE A 34 -5.630 -12.189 -4.451 1.00 0.00 C ATOM 0 H ILE A 34 -4.428 -14.341 -7.094 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.080 -13.024 -6.581 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.992 -14.289 -4.572 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.012 -11.450 -5.629 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.931 -12.733 -6.392 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.216 -12.512 -3.052 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.885 -13.588 -3.538 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.043 -11.978 -4.280 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.330 -11.453 -4.846 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.151 -13.131 -4.283 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.218 -11.829 -3.508 1.00 0.00 H new ATOM 480 N LYS A 35 -2.079 -15.987 -5.077 1.00 0.00 N ATOM 481 CA LYS A 35 -1.213 -17.042 -4.563 1.00 0.00 C ATOM 482 C LYS A 35 -0.067 -17.324 -5.529 1.00 0.00 C ATOM 483 O LYS A 35 1.097 -17.375 -5.130 1.00 0.00 O ATOM 484 CB LYS A 35 -2.019 -18.320 -4.323 1.00 0.00 C ATOM 485 CG LYS A 35 -3.448 -18.063 -3.874 1.00 0.00 C ATOM 486 CD LYS A 35 -3.961 -19.181 -2.981 1.00 0.00 C ATOM 487 CE LYS A 35 -5.240 -18.778 -2.264 1.00 0.00 C ATOM 488 NZ LYS A 35 -6.076 -19.960 -1.915 1.00 0.00 N ATOM 0 H LYS A 35 -3.075 -16.154 -4.937 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.792 -16.703 -3.617 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.036 -18.907 -5.241 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.513 -18.923 -3.569 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.497 -17.116 -3.337 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.093 -17.968 -4.747 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.144 -20.072 -3.581 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.198 -19.442 -2.248 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.990 -18.229 -1.356 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.814 -18.102 -2.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.939 -19.643 -1.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.336 -20.470 -2.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.538 -20.593 -1.290 1.00 0.00 H new ATOM 502 N LYS A 36 -0.404 -17.507 -6.801 1.00 0.00 N ATOM 503 CA LYS A 36 0.597 -17.782 -7.826 1.00 0.00 C ATOM 504 C LYS A 36 1.562 -16.610 -7.972 1.00 0.00 C ATOM 505 O LYS A 36 2.759 -16.802 -8.182 1.00 0.00 O ATOM 506 CB LYS A 36 -0.082 -18.068 -9.167 1.00 0.00 C ATOM 507 CG LYS A 36 0.812 -17.813 -10.368 1.00 0.00 C ATOM 508 CD LYS A 36 0.107 -18.155 -11.670 1.00 0.00 C ATOM 509 CE LYS A 36 1.093 -18.276 -12.822 1.00 0.00 C ATOM 510 NZ LYS A 36 1.725 -19.623 -12.872 1.00 0.00 N ATOM 0 H LYS A 36 -1.363 -17.470 -7.147 1.00 0.00 H new ATOM 0 HA LYS A 36 1.164 -18.660 -7.518 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.411 -19.107 -9.184 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.975 -17.449 -9.252 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.115 -16.766 -10.381 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.721 -18.407 -10.279 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.437 -19.093 -11.555 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.630 -17.385 -11.899 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.578 -18.081 -13.763 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.867 -17.515 -12.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.390 -19.665 -13.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.238 -19.799 -11.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.989 -20.347 -12.996 1.00 0.00 H new ATOM 524 N ALA A 37 1.032 -15.396 -7.860 1.00 0.00 N ATOM 525 CA ALA A 37 1.848 -14.193 -7.976 1.00 0.00 C ATOM 526 C ALA A 37 2.823 -14.076 -6.810 1.00 0.00 C ATOM 527 O ALA A 37 3.994 -13.746 -6.998 1.00 0.00 O ATOM 528 CB ALA A 37 0.961 -12.959 -8.052 1.00 0.00 C ATOM 0 H ALA A 37 0.042 -15.220 -7.689 1.00 0.00 H new ATOM 0 HA ALA A 37 2.430 -14.266 -8.895 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.583 -12.068 -8.138 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.310 -13.032 -8.923 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.354 -12.891 -7.149 1.00 0.00 H new ATOM 534 N TYR A 38 2.332 -14.347 -5.605 1.00 0.00 N ATOM 535 CA TYR A 38 3.160 -14.268 -4.408 1.00 0.00 C ATOM 536 C TYR A 38 4.334 -15.239 -4.492 1.00 0.00 C ATOM 537 O TYR A 38 5.490 -14.827 -4.587 1.00 0.00 O ATOM 538 CB TYR A 38 2.323 -14.570 -3.163 1.00 0.00 C ATOM 539 CG TYR A 38 3.146 -15.001 -1.970 1.00 0.00 C ATOM 540 CD1 TYR A 38 3.920 -14.085 -1.268 1.00 0.00 C ATOM 541 CD2 TYR A 38 3.148 -16.323 -1.544 1.00 0.00 C ATOM 542 CE1 TYR A 38 4.674 -14.475 -0.178 1.00 0.00 C ATOM 543 CE2 TYR A 38 3.897 -16.722 -0.454 1.00 0.00 C ATOM 544 CZ TYR A 38 4.659 -15.794 0.225 1.00 0.00 C ATOM 545 OH TYR A 38 5.407 -16.185 1.312 1.00 0.00 O ATOM 0 H TYR A 38 1.365 -14.623 -5.432 1.00 0.00 H new ATOM 0 HA TYR A 38 3.555 -13.254 -4.336 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.750 -13.682 -2.897 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.604 -15.354 -3.400 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.932 -13.051 -1.580 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.553 -17.052 -2.074 1.00 0.00 H new ATOM 0 HE1 TYR A 38 5.272 -13.751 0.356 1.00 0.00 H new ATOM 0 HE2 TYR A 38 3.886 -17.754 -0.135 1.00 0.00 H new ATOM 0 HH TYR A 38 5.285 -17.145 1.465 1.00 0.00 H new ATOM 555 N LYS A 39 4.028 -16.531 -4.457 1.00 0.00 N ATOM 556 CA LYS A 39 5.056 -17.563 -4.532 1.00 0.00 C ATOM 557 C LYS A 39 6.178 -17.147 -5.478 1.00 0.00 C ATOM 558 O LYS A 39 7.338 -17.049 -5.077 1.00 0.00 O ATOM 559 CB LYS A 39 4.446 -18.887 -4.999 1.00 0.00 C ATOM 560 CG LYS A 39 3.943 -19.759 -3.862 1.00 0.00 C ATOM 561 CD LYS A 39 2.488 -19.465 -3.535 1.00 0.00 C ATOM 562 CE LYS A 39 2.104 -20.007 -2.166 1.00 0.00 C ATOM 563 NZ LYS A 39 1.778 -21.459 -2.216 1.00 0.00 N ATOM 0 H LYS A 39 3.076 -16.889 -4.377 1.00 0.00 H new ATOM 0 HA LYS A 39 5.476 -17.695 -3.535 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.619 -18.677 -5.678 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.193 -19.441 -5.568 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.051 -20.809 -4.133 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.557 -19.593 -2.976 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.318 -18.389 -3.562 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.846 -19.908 -4.296 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.924 -19.843 -1.467 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.245 -19.455 -1.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.522 -21.790 -1.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.979 -21.613 -2.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.606 -21.989 -2.556 1.00 0.00 H new ATOM 577 N LYS A 40 5.825 -16.900 -6.735 1.00 0.00 N ATOM 578 CA LYS A 40 6.801 -16.491 -7.738 1.00 0.00 C ATOM 579 C LYS A 40 7.742 -15.429 -7.180 1.00 0.00 C ATOM 580 O LYS A 40 8.964 -15.565 -7.257 1.00 0.00 O ATOM 581 CB LYS A 40 6.089 -15.955 -8.982 1.00 0.00 C ATOM 582 CG LYS A 40 7.025 -15.682 -10.147 1.00 0.00 C ATOM 583 CD LYS A 40 7.692 -14.322 -10.020 1.00 0.00 C ATOM 584 CE LYS A 40 8.457 -13.957 -11.283 1.00 0.00 C ATOM 585 NZ LYS A 40 8.627 -12.484 -11.422 1.00 0.00 N ATOM 0 H LYS A 40 4.869 -16.976 -7.083 1.00 0.00 H new ATOM 0 HA LYS A 40 7.391 -17.365 -8.013 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.332 -16.674 -9.295 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.566 -15.034 -8.723 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.788 -16.459 -10.192 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.467 -15.729 -11.082 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.937 -13.562 -9.818 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.373 -14.328 -9.169 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.436 -14.436 -11.266 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.928 -14.345 -12.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.153 -12.276 -12.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.693 -12.029 -11.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.154 -12.117 -10.604 1.00 0.00 H new ATOM 599 N LEU A 41 7.167 -14.372 -6.617 1.00 0.00 N ATOM 600 CA LEU A 41 7.955 -13.286 -6.043 1.00 0.00 C ATOM 601 C LEU A 41 8.747 -13.769 -4.833 1.00 0.00 C ATOM 602 O LEU A 41 9.871 -13.326 -4.598 1.00 0.00 O ATOM 603 CB LEU A 41 7.043 -12.126 -5.641 1.00 0.00 C ATOM 604 CG LEU A 41 6.734 -11.104 -6.735 1.00 0.00 C ATOM 605 CD1 LEU A 41 5.479 -10.317 -6.392 1.00 0.00 C ATOM 606 CD2 LEU A 41 7.915 -10.166 -6.937 1.00 0.00 C ATOM 0 H LEU A 41 6.158 -14.244 -6.546 1.00 0.00 H new ATOM 0 HA LEU A 41 8.659 -12.941 -6.800 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.101 -12.539 -5.281 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.503 -11.603 -4.802 1.00 0.00 H new ATOM 0 HG LEU A 41 6.558 -11.641 -7.667 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.275 -9.595 -7.182 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.635 -11.000 -6.299 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.626 -9.791 -5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.677 -9.445 -7.719 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.123 -9.637 -6.007 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.792 -10.743 -7.230 1.00 0.00 H new ATOM 618 N ALA A 42 8.155 -14.682 -4.070 1.00 0.00 N ATOM 619 CA ALA A 42 8.808 -15.228 -2.887 1.00 0.00 C ATOM 620 C ALA A 42 10.025 -16.064 -3.268 1.00 0.00 C ATOM 621 O ALA A 42 11.001 -16.132 -2.520 1.00 0.00 O ATOM 622 CB ALA A 42 7.824 -16.063 -2.080 1.00 0.00 C ATOM 0 H ALA A 42 7.224 -15.059 -4.250 1.00 0.00 H new ATOM 0 HA ALA A 42 9.150 -14.394 -2.274 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.325 -16.465 -1.199 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.987 -15.438 -1.768 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.455 -16.885 -2.694 1.00 0.00 H new ATOM 628 N ARG A 43 9.961 -16.697 -4.434 1.00 0.00 N ATOM 629 CA ARG A 43 11.059 -17.529 -4.913 1.00 0.00 C ATOM 630 C ARG A 43 12.191 -16.670 -5.467 1.00 0.00 C ATOM 631 O ARG A 43 13.364 -16.922 -5.195 1.00 0.00 O ATOM 632 CB ARG A 43 10.562 -18.494 -5.991 1.00 0.00 C ATOM 633 CG ARG A 43 9.908 -19.747 -5.432 1.00 0.00 C ATOM 634 CD ARG A 43 9.594 -20.750 -6.531 1.00 0.00 C ATOM 635 NE ARG A 43 8.291 -20.501 -7.142 1.00 0.00 N ATOM 636 CZ ARG A 43 7.878 -21.092 -8.258 1.00 0.00 C ATOM 637 NH1 ARG A 43 8.661 -21.962 -8.881 1.00 0.00 N ATOM 638 NH2 ARG A 43 6.678 -20.814 -8.752 1.00 0.00 N ATOM 0 H ARG A 43 9.161 -16.650 -5.065 1.00 0.00 H new ATOM 0 HA ARG A 43 11.442 -18.103 -4.069 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.847 -17.975 -6.629 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.402 -18.784 -6.623 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.569 -20.206 -4.697 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.989 -19.478 -4.911 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.368 -20.703 -7.297 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.614 -21.759 -6.118 1.00 0.00 H new ATOM 0 HE ARG A 43 7.664 -19.837 -6.687 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.583 -22.179 -8.504 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.341 -22.414 -9.738 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.072 -20.146 -8.275 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.362 -21.268 -9.609 1.00 0.00 H new ATOM 652 N GLU A 44 11.830 -15.655 -6.246 1.00 0.00 N ATOM 653 CA GLU A 44 12.816 -14.760 -6.840 1.00 0.00 C ATOM 654 C GLU A 44 13.443 -13.860 -5.778 1.00 0.00 C ATOM 655 O GLU A 44 14.665 -13.797 -5.646 1.00 0.00 O ATOM 656 CB GLU A 44 12.170 -13.905 -7.932 1.00 0.00 C ATOM 657 CG GLU A 44 12.173 -14.563 -9.301 1.00 0.00 C ATOM 658 CD GLU A 44 13.452 -14.300 -10.072 1.00 0.00 C ATOM 659 OE1 GLU A 44 14.101 -13.266 -9.809 1.00 0.00 O ATOM 660 OE2 GLU A 44 13.805 -15.128 -10.938 1.00 0.00 O ATOM 0 H GLU A 44 10.863 -15.432 -6.480 1.00 0.00 H new ATOM 0 HA GLU A 44 13.602 -15.371 -7.285 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.142 -13.683 -7.647 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.696 -12.952 -7.995 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.039 -15.638 -9.183 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.324 -14.197 -9.878 1.00 0.00 H new ATOM 667 N TRP A 45 12.597 -13.166 -5.026 1.00 0.00 N ATOM 668 CA TRP A 45 13.067 -12.268 -3.977 1.00 0.00 C ATOM 669 C TRP A 45 13.357 -13.038 -2.693 1.00 0.00 C ATOM 670 O TRP A 45 13.538 -12.444 -1.629 1.00 0.00 O ATOM 671 CB TRP A 45 12.030 -11.177 -3.708 1.00 0.00 C ATOM 672 CG TRP A 45 11.738 -10.327 -4.908 1.00 0.00 C ATOM 673 CD1 TRP A 45 10.868 -10.613 -5.922 1.00 0.00 C ATOM 674 CD2 TRP A 45 12.316 -9.056 -5.220 1.00 0.00 C ATOM 675 NE1 TRP A 45 10.872 -9.595 -6.845 1.00 0.00 N ATOM 676 CE2 TRP A 45 11.751 -8.627 -6.437 1.00 0.00 C ATOM 677 CE3 TRP A 45 13.255 -8.236 -4.588 1.00 0.00 C ATOM 678 CZ2 TRP A 45 12.096 -7.417 -7.032 1.00 0.00 C ATOM 679 CZ3 TRP A 45 13.597 -7.035 -5.181 1.00 0.00 C ATOM 680 CH2 TRP A 45 13.018 -6.635 -6.392 1.00 0.00 C ATOM 0 H TRP A 45 11.582 -13.207 -5.123 1.00 0.00 H new ATOM 0 HA TRP A 45 13.992 -11.803 -4.318 1.00 0.00 H new ATOM 0 HB2 TRP A 45 11.105 -11.641 -3.366 1.00 0.00 H new ATOM 0 HB3 TRP A 45 12.385 -10.540 -2.898 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.266 -11.507 -5.988 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.311 -9.565 -7.696 1.00 0.00 H new ATOM 0 HE3 TRP A 45 13.705 -8.535 -3.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 11.651 -7.106 -7.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 14.323 -6.394 -4.702 1.00 0.00 H new ATOM 0 HH2 TRP A 45 13.305 -5.690 -6.829 1.00 0.00 H new ATOM 691 N HIS A 46 13.401 -14.362 -2.798 1.00 0.00 N ATOM 692 CA HIS A 46 13.671 -15.213 -1.644 1.00 0.00 C ATOM 693 C HIS A 46 14.993 -14.831 -0.985 1.00 0.00 C ATOM 694 O HIS A 46 16.042 -14.778 -1.626 1.00 0.00 O ATOM 695 CB HIS A 46 13.703 -16.683 -2.064 1.00 0.00 C ATOM 696 CG HIS A 46 13.256 -17.623 -0.987 1.00 0.00 C ATOM 697 ND1 HIS A 46 13.901 -18.809 -0.709 1.00 0.00 N ATOM 698 CD2 HIS A 46 12.223 -17.545 -0.117 1.00 0.00 C ATOM 699 CE1 HIS A 46 13.283 -19.421 0.285 1.00 0.00 C ATOM 700 NE2 HIS A 46 12.261 -18.675 0.663 1.00 0.00 N ATOM 0 H HIS A 46 13.253 -14.869 -3.670 1.00 0.00 H new ATOM 0 HA HIS A 46 12.869 -15.067 -0.920 1.00 0.00 H new ATOM 0 HB2 HIS A 46 13.066 -16.816 -2.939 1.00 0.00 H new ATOM 0 HB3 HIS A 46 14.717 -16.944 -2.365 1.00 0.00 H new ATOM 0 HD2 HIS A 46 11.502 -16.743 -0.048 1.00 0.00 H new ATOM 0 HE1 HIS A 46 13.566 -20.370 0.716 1.00 0.00 H new ATOM 0 HE2 HIS A 46 11.607 -18.901 1.412 1.00 0.00 H new ATOM 708 N PRO A 47 14.942 -14.556 0.327 1.00 0.00 N ATOM 709 CA PRO A 47 16.127 -14.174 1.102 1.00 0.00 C ATOM 710 C PRO A 47 17.101 -15.334 1.282 1.00 0.00 C ATOM 711 O PRO A 47 18.302 -15.126 1.455 1.00 0.00 O ATOM 712 CB PRO A 47 15.545 -13.750 2.453 1.00 0.00 C ATOM 713 CG PRO A 47 14.256 -14.488 2.559 1.00 0.00 C ATOM 714 CD PRO A 47 13.726 -14.599 1.156 1.00 0.00 C ATOM 0 HA PRO A 47 16.704 -13.393 0.607 1.00 0.00 H new ATOM 0 HB2 PRO A 47 16.217 -14.007 3.272 1.00 0.00 H new ATOM 0 HB3 PRO A 47 15.389 -12.672 2.496 1.00 0.00 H new ATOM 0 HG2 PRO A 47 14.406 -15.474 2.999 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.553 -13.956 3.201 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.172 -15.526 1.008 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.048 -13.780 0.917 1.00 0.00 H new ATOM 722 N ASP A 48 16.576 -16.553 1.238 1.00 0.00 N ATOM 723 CA ASP A 48 17.400 -17.746 1.395 1.00 0.00 C ATOM 724 C ASP A 48 18.435 -17.842 0.278 1.00 0.00 C ATOM 725 O ASP A 48 19.565 -18.277 0.500 1.00 0.00 O ATOM 726 CB ASP A 48 16.524 -19.000 1.404 1.00 0.00 C ATOM 727 CG ASP A 48 15.951 -19.296 2.776 1.00 0.00 C ATOM 728 OD1 ASP A 48 15.704 -18.335 3.535 1.00 0.00 O ATOM 729 OD2 ASP A 48 15.752 -20.488 3.092 1.00 0.00 O ATOM 0 H ASP A 48 15.584 -16.741 1.095 1.00 0.00 H new ATOM 0 HA ASP A 48 17.925 -17.672 2.348 1.00 0.00 H new ATOM 0 HB2 ASP A 48 15.708 -18.875 0.692 1.00 0.00 H new ATOM 0 HB3 ASP A 48 17.113 -19.853 1.067 1.00 0.00 H new ATOM 734 N LYS A 49 18.041 -17.434 -0.924 1.00 0.00 N ATOM 735 CA LYS A 49 18.933 -17.474 -2.076 1.00 0.00 C ATOM 736 C LYS A 49 19.592 -16.116 -2.301 1.00 0.00 C ATOM 737 O LYS A 49 20.713 -16.036 -2.800 1.00 0.00 O ATOM 738 CB LYS A 49 18.161 -17.892 -3.330 1.00 0.00 C ATOM 739 CG LYS A 49 19.036 -18.522 -4.400 1.00 0.00 C ATOM 740 CD LYS A 49 18.368 -18.475 -5.765 1.00 0.00 C ATOM 741 CE LYS A 49 18.535 -17.112 -6.420 1.00 0.00 C ATOM 742 NZ LYS A 49 17.555 -16.121 -5.895 1.00 0.00 N ATOM 0 H LYS A 49 17.109 -17.072 -1.125 1.00 0.00 H new ATOM 0 HA LYS A 49 19.713 -18.208 -1.875 1.00 0.00 H new ATOM 0 HB2 LYS A 49 17.381 -18.599 -3.048 1.00 0.00 H new ATOM 0 HB3 LYS A 49 17.663 -17.017 -3.748 1.00 0.00 H new ATOM 0 HG2 LYS A 49 19.992 -18.000 -4.443 1.00 0.00 H new ATOM 0 HG3 LYS A 49 19.250 -19.557 -4.134 1.00 0.00 H new ATOM 0 HD2 LYS A 49 18.797 -19.244 -6.408 1.00 0.00 H new ATOM 0 HD3 LYS A 49 17.307 -18.702 -5.660 1.00 0.00 H new ATOM 0 HE2 LYS A 49 19.548 -16.748 -6.248 1.00 0.00 H new ATOM 0 HE3 LYS A 49 18.411 -17.210 -7.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 17.268 -15.477 -6.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 16.718 -16.620 -5.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 17.993 -15.573 -5.127 1.00 0.00 H new ATOM 756 N ASN A 50 18.888 -15.053 -1.927 1.00 0.00 N ATOM 757 CA ASN A 50 19.405 -13.699 -2.088 1.00 0.00 C ATOM 758 C ASN A 50 20.484 -13.402 -1.050 1.00 0.00 C ATOM 759 O ASN A 50 20.227 -13.430 0.154 1.00 0.00 O ATOM 760 CB ASN A 50 18.271 -12.679 -1.966 1.00 0.00 C ATOM 761 CG ASN A 50 17.617 -12.380 -3.301 1.00 0.00 C ATOM 762 OD1 ASN A 50 18.272 -12.400 -4.344 1.00 0.00 O ATOM 763 ND2 ASN A 50 16.320 -12.099 -3.275 1.00 0.00 N ATOM 0 H ASN A 50 17.958 -15.103 -1.510 1.00 0.00 H new ATOM 0 HA ASN A 50 19.849 -13.622 -3.081 1.00 0.00 H new ATOM 0 HB2 ASN A 50 17.519 -13.056 -1.273 1.00 0.00 H new ATOM 0 HB3 ASN A 50 18.662 -11.755 -1.541 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.826 -11.888 -4.142 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.817 -12.094 -2.388 1.00 0.00 H new ATOM 770 N LYS A 51 21.692 -13.119 -1.525 1.00 0.00 N ATOM 771 CA LYS A 51 22.810 -12.815 -0.640 1.00 0.00 C ATOM 772 C LYS A 51 23.026 -11.309 -0.533 1.00 0.00 C ATOM 773 O LYS A 51 23.405 -10.800 0.522 1.00 0.00 O ATOM 774 CB LYS A 51 24.087 -13.489 -1.148 1.00 0.00 C ATOM 775 CG LYS A 51 24.282 -14.899 -0.618 1.00 0.00 C ATOM 776 CD LYS A 51 23.346 -15.885 -1.296 1.00 0.00 C ATOM 777 CE LYS A 51 23.886 -17.305 -1.227 1.00 0.00 C ATOM 778 NZ LYS A 51 23.047 -18.257 -2.006 1.00 0.00 N ATOM 0 H LYS A 51 21.922 -13.094 -2.518 1.00 0.00 H new ATOM 0 HA LYS A 51 22.572 -13.201 0.351 1.00 0.00 H new ATOM 0 HB2 LYS A 51 24.063 -13.519 -2.237 1.00 0.00 H new ATOM 0 HB3 LYS A 51 24.946 -12.881 -0.865 1.00 0.00 H new ATOM 0 HG2 LYS A 51 25.315 -15.209 -0.777 1.00 0.00 H new ATOM 0 HG3 LYS A 51 24.107 -14.911 0.458 1.00 0.00 H new ATOM 0 HD2 LYS A 51 22.366 -15.844 -0.820 1.00 0.00 H new ATOM 0 HD3 LYS A 51 23.207 -15.598 -2.338 1.00 0.00 H new ATOM 0 HE2 LYS A 51 24.907 -17.324 -1.609 1.00 0.00 H new ATOM 0 HE3 LYS A 51 23.929 -17.627 -0.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 22.746 -19.039 -1.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 22.209 -17.762 -2.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 23.600 -18.636 -2.801 1.00 0.00 H new ATOM 792 N ASP A 52 22.782 -10.602 -1.631 1.00 0.00 N ATOM 793 CA ASP A 52 22.948 -9.153 -1.660 1.00 0.00 C ATOM 794 C ASP A 52 22.109 -8.489 -0.573 1.00 0.00 C ATOM 795 O ASP A 52 20.982 -8.896 -0.288 1.00 0.00 O ATOM 796 CB ASP A 52 22.557 -8.601 -3.032 1.00 0.00 C ATOM 797 CG ASP A 52 23.729 -8.554 -3.992 1.00 0.00 C ATOM 798 OD1 ASP A 52 24.601 -9.443 -3.907 1.00 0.00 O ATOM 799 OD2 ASP A 52 23.776 -7.626 -4.827 1.00 0.00 O ATOM 0 H ASP A 52 22.469 -11.008 -2.513 1.00 0.00 H new ATOM 0 HA ASP A 52 23.998 -8.928 -1.472 1.00 0.00 H new ATOM 0 HB2 ASP A 52 21.767 -9.220 -3.458 1.00 0.00 H new ATOM 0 HB3 ASP A 52 22.147 -7.598 -2.914 1.00 0.00 H new ATOM 804 N PRO A 53 22.669 -7.442 0.051 1.00 0.00 N ATOM 805 CA PRO A 53 21.990 -6.699 1.117 1.00 0.00 C ATOM 806 C PRO A 53 20.812 -5.883 0.595 1.00 0.00 C ATOM 807 O PRO A 53 20.984 -4.982 -0.224 1.00 0.00 O ATOM 808 CB PRO A 53 23.084 -5.775 1.657 1.00 0.00 C ATOM 809 CG PRO A 53 24.031 -5.603 0.520 1.00 0.00 C ATOM 810 CD PRO A 53 24.009 -6.902 -0.237 1.00 0.00 C ATOM 0 HA PRO A 53 21.564 -7.363 1.869 1.00 0.00 H new ATOM 0 HB2 PRO A 53 22.672 -4.818 1.977 1.00 0.00 H new ATOM 0 HB3 PRO A 53 23.580 -6.213 2.523 1.00 0.00 H new ATOM 0 HG2 PRO A 53 23.727 -4.774 -0.119 1.00 0.00 H new ATOM 0 HG3 PRO A 53 25.035 -5.377 0.879 1.00 0.00 H new ATOM 0 HD2 PRO A 53 24.159 -6.747 -1.305 1.00 0.00 H new ATOM 0 HD3 PRO A 53 24.795 -7.577 0.100 1.00 0.00 H new ATOM 818 N GLY A 54 19.616 -6.205 1.077 1.00 0.00 N ATOM 819 CA GLY A 54 18.427 -5.491 0.649 1.00 0.00 C ATOM 820 C GLY A 54 17.306 -6.426 0.240 1.00 0.00 C ATOM 821 O GLY A 54 16.140 -6.178 0.546 1.00 0.00 O ATOM 0 H GLY A 54 19.449 -6.947 1.756 1.00 0.00 H new ATOM 0 HA2 GLY A 54 18.082 -4.847 1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 54 18.679 -4.842 -0.190 1.00 0.00 H new ATOM 825 N ALA A 55 17.658 -7.503 -0.454 1.00 0.00 N ATOM 826 CA ALA A 55 16.673 -8.478 -0.905 1.00 0.00 C ATOM 827 C ALA A 55 15.661 -8.785 0.195 1.00 0.00 C ATOM 828 O ALA A 55 14.462 -8.881 -0.063 1.00 0.00 O ATOM 829 CB ALA A 55 17.363 -9.754 -1.361 1.00 0.00 C ATOM 0 H ALA A 55 18.619 -7.722 -0.716 1.00 0.00 H new ATOM 0 HA ALA A 55 16.134 -8.049 -1.749 1.00 0.00 H new ATOM 0 HB1 ALA A 55 16.615 -10.473 -1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 55 18.041 -9.527 -2.184 1.00 0.00 H new ATOM 0 HB3 ALA A 55 17.929 -10.178 -0.531 1.00 0.00 H new ATOM 835 N GLU A 56 16.154 -8.937 1.420 1.00 0.00 N ATOM 836 CA GLU A 56 15.292 -9.235 2.558 1.00 0.00 C ATOM 837 C GLU A 56 14.222 -8.161 2.725 1.00 0.00 C ATOM 838 O GLU A 56 13.027 -8.459 2.753 1.00 0.00 O ATOM 839 CB GLU A 56 16.122 -9.347 3.839 1.00 0.00 C ATOM 840 CG GLU A 56 15.307 -9.743 5.059 1.00 0.00 C ATOM 841 CD GLU A 56 16.175 -10.086 6.254 1.00 0.00 C ATOM 842 OE1 GLU A 56 17.196 -9.398 6.463 1.00 0.00 O ATOM 843 OE2 GLU A 56 15.832 -11.042 6.980 1.00 0.00 O ATOM 0 H GLU A 56 17.145 -8.859 1.650 1.00 0.00 H new ATOM 0 HA GLU A 56 14.799 -10.188 2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.913 -10.082 3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.608 -8.391 4.032 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.637 -8.926 5.324 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.682 -10.601 4.811 1.00 0.00 H new ATOM 850 N ASP A 57 14.658 -6.911 2.836 1.00 0.00 N ATOM 851 CA ASP A 57 13.738 -5.791 3.000 1.00 0.00 C ATOM 852 C ASP A 57 12.533 -5.938 2.076 1.00 0.00 C ATOM 853 O ASP A 57 11.390 -5.979 2.532 1.00 0.00 O ATOM 854 CB ASP A 57 14.454 -4.470 2.718 1.00 0.00 C ATOM 855 CG ASP A 57 13.799 -3.295 3.418 1.00 0.00 C ATOM 856 OD1 ASP A 57 13.075 -3.524 4.411 1.00 0.00 O ATOM 857 OD2 ASP A 57 14.009 -2.148 2.974 1.00 0.00 O ATOM 0 H ASP A 57 15.643 -6.648 2.815 1.00 0.00 H new ATOM 0 HA ASP A 57 13.385 -5.791 4.031 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.493 -4.547 3.039 1.00 0.00 H new ATOM 0 HB3 ASP A 57 14.465 -4.289 1.643 1.00 0.00 H new ATOM 862 N ARG A 58 12.797 -6.016 0.776 1.00 0.00 N ATOM 863 CA ARG A 58 11.734 -6.157 -0.212 1.00 0.00 C ATOM 864 C ARG A 58 10.887 -7.393 0.072 1.00 0.00 C ATOM 865 O ARG A 58 9.657 -7.330 0.071 1.00 0.00 O ATOM 866 CB ARG A 58 12.326 -6.243 -1.620 1.00 0.00 C ATOM 867 CG ARG A 58 11.359 -5.821 -2.715 1.00 0.00 C ATOM 868 CD ARG A 58 11.374 -4.315 -2.920 1.00 0.00 C ATOM 869 NE ARG A 58 10.638 -3.612 -1.872 1.00 0.00 N ATOM 870 CZ ARG A 58 10.860 -2.345 -1.541 1.00 0.00 C ATOM 871 NH1 ARG A 58 11.792 -1.645 -2.173 1.00 0.00 N ATOM 872 NH2 ARG A 58 10.150 -1.776 -0.576 1.00 0.00 N ATOM 0 H ARG A 58 13.737 -5.984 0.382 1.00 0.00 H new ATOM 0 HA ARG A 58 11.094 -5.277 -0.147 1.00 0.00 H new ATOM 0 HB2 ARG A 58 13.215 -5.614 -1.670 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.649 -7.267 -1.807 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.624 -6.319 -3.648 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.351 -6.144 -2.456 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.405 -3.962 -2.938 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.939 -4.077 -3.891 1.00 0.00 H new ATOM 0 HE ARG A 58 9.914 -4.122 -1.367 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.340 -2.079 -2.915 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.961 -0.672 -1.917 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.433 -2.311 -0.087 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.321 -0.803 -0.323 1.00 0.00 H new ATOM 886 N PHE A 59 11.553 -8.517 0.314 1.00 0.00 N ATOM 887 CA PHE A 59 10.861 -9.769 0.599 1.00 0.00 C ATOM 888 C PHE A 59 9.763 -9.560 1.637 1.00 0.00 C ATOM 889 O PHE A 59 8.628 -10.000 1.453 1.00 0.00 O ATOM 890 CB PHE A 59 11.854 -10.823 1.094 1.00 0.00 C ATOM 891 CG PHE A 59 11.195 -12.069 1.616 1.00 0.00 C ATOM 892 CD1 PHE A 59 10.670 -13.008 0.743 1.00 0.00 C ATOM 893 CD2 PHE A 59 11.100 -12.299 2.979 1.00 0.00 C ATOM 894 CE1 PHE A 59 10.063 -14.155 1.219 1.00 0.00 C ATOM 895 CE2 PHE A 59 10.495 -13.445 3.461 1.00 0.00 C ATOM 896 CZ PHE A 59 9.975 -14.373 2.580 1.00 0.00 C ATOM 0 H PHE A 59 12.571 -8.587 0.319 1.00 0.00 H new ATOM 0 HA PHE A 59 10.400 -10.119 -0.325 1.00 0.00 H new ATOM 0 HB2 PHE A 59 12.524 -11.091 0.277 1.00 0.00 H new ATOM 0 HB3 PHE A 59 12.469 -10.389 1.882 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.736 -12.842 -0.322 1.00 0.00 H new ATOM 0 HD2 PHE A 59 11.503 -11.575 3.672 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.658 -14.879 0.528 1.00 0.00 H new ATOM 0 HE2 PHE A 59 10.429 -13.614 4.526 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.500 -15.268 2.955 1.00 0.00 H new ATOM 906 N ILE A 60 10.110 -8.887 2.729 1.00 0.00 N ATOM 907 CA ILE A 60 9.154 -8.619 3.797 1.00 0.00 C ATOM 908 C ILE A 60 7.881 -7.984 3.248 1.00 0.00 C ATOM 909 O ILE A 60 6.774 -8.417 3.567 1.00 0.00 O ATOM 910 CB ILE A 60 9.755 -7.692 4.870 1.00 0.00 C ATOM 911 CG1 ILE A 60 11.021 -8.314 5.461 1.00 0.00 C ATOM 912 CG2 ILE A 60 8.733 -7.416 5.963 1.00 0.00 C ATOM 913 CD1 ILE A 60 11.960 -7.301 6.079 1.00 0.00 C ATOM 0 H ILE A 60 11.046 -8.517 2.898 1.00 0.00 H new ATOM 0 HA ILE A 60 8.911 -9.579 4.252 1.00 0.00 H new ATOM 0 HB ILE A 60 10.023 -6.744 4.403 1.00 0.00 H new ATOM 0 HG12 ILE A 60 10.738 -9.044 6.219 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.550 -8.857 4.677 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.172 -6.760 6.714 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.857 -6.935 5.529 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.437 -8.355 6.430 1.00 0.00 H new ATOM 0 HD11 ILE A 60 12.836 -7.813 6.478 1.00 0.00 H new ATOM 0 HD12 ILE A 60 12.273 -6.584 5.320 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.448 -6.775 6.885 1.00 0.00 H new ATOM 925 N GLN A 61 8.047 -6.958 2.420 1.00 0.00 N ATOM 926 CA GLN A 61 6.910 -6.265 1.826 1.00 0.00 C ATOM 927 C GLN A 61 6.048 -7.228 1.016 1.00 0.00 C ATOM 928 O GLN A 61 4.825 -7.257 1.164 1.00 0.00 O ATOM 929 CB GLN A 61 7.393 -5.120 0.933 1.00 0.00 C ATOM 930 CG GLN A 61 7.542 -3.798 1.668 1.00 0.00 C ATOM 931 CD GLN A 61 6.212 -3.225 2.114 1.00 0.00 C ATOM 932 OE1 GLN A 61 5.949 -3.095 3.310 1.00 0.00 O ATOM 933 NE2 GLN A 61 5.364 -2.878 1.153 1.00 0.00 N ATOM 0 H GLN A 61 8.957 -6.588 2.145 1.00 0.00 H new ATOM 0 HA GLN A 61 6.304 -5.855 2.634 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.353 -5.392 0.494 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.691 -4.991 0.109 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.182 -3.941 2.539 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.043 -3.080 1.019 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.623 -3.003 0.174 1.00 0.00 H new ATOM 0 HE22 GLN A 61 4.453 -2.486 1.393 1.00 0.00 H new ATOM 942 N ILE A 62 6.692 -8.014 0.160 1.00 0.00 N ATOM 943 CA ILE A 62 5.984 -8.979 -0.672 1.00 0.00 C ATOM 944 C ILE A 62 5.119 -9.906 0.175 1.00 0.00 C ATOM 945 O ILE A 62 3.919 -10.043 -0.063 1.00 0.00 O ATOM 946 CB ILE A 62 6.961 -9.827 -1.507 1.00 0.00 C ATOM 947 CG1 ILE A 62 7.718 -8.943 -2.500 1.00 0.00 C ATOM 948 CG2 ILE A 62 6.213 -10.933 -2.237 1.00 0.00 C ATOM 949 CD1 ILE A 62 8.964 -9.593 -3.060 1.00 0.00 C ATOM 0 H ILE A 62 7.703 -8.002 0.024 1.00 0.00 H new ATOM 0 HA ILE A 62 5.346 -8.406 -1.345 1.00 0.00 H new ATOM 0 HB ILE A 62 7.685 -10.288 -0.835 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.052 -8.683 -3.323 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.994 -8.011 -2.007 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.918 -11.523 -2.823 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.716 -11.576 -1.511 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.469 -10.492 -2.901 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.449 -8.909 -3.756 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.649 -9.828 -2.246 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.692 -10.510 -3.582 1.00 0.00 H new ATOM 961 N SER A 63 5.737 -10.540 1.167 1.00 0.00 N ATOM 962 CA SER A 63 5.024 -11.456 2.050 1.00 0.00 C ATOM 963 C SER A 63 3.930 -10.726 2.822 1.00 0.00 C ATOM 964 O SER A 63 2.793 -11.192 2.903 1.00 0.00 O ATOM 965 CB SER A 63 5.998 -12.119 3.026 1.00 0.00 C ATOM 966 OG SER A 63 5.454 -13.314 3.557 1.00 0.00 O ATOM 0 H SER A 63 6.729 -10.436 1.379 1.00 0.00 H new ATOM 0 HA SER A 63 4.558 -12.225 1.435 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.936 -12.338 2.516 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.230 -11.429 3.838 1.00 0.00 H new ATOM 0 HG SER A 63 6.097 -13.719 4.176 1.00 0.00 H new ATOM 972 N LYS A 64 4.282 -9.577 3.390 1.00 0.00 N ATOM 973 CA LYS A 64 3.332 -8.779 4.156 1.00 0.00 C ATOM 974 C LYS A 64 2.171 -8.323 3.277 1.00 0.00 C ATOM 975 O LYS A 64 1.054 -8.134 3.758 1.00 0.00 O ATOM 976 CB LYS A 64 4.032 -7.562 4.766 1.00 0.00 C ATOM 977 CG LYS A 64 5.030 -7.918 5.854 1.00 0.00 C ATOM 978 CD LYS A 64 4.332 -8.350 7.133 1.00 0.00 C ATOM 979 CE LYS A 64 5.324 -8.552 8.268 1.00 0.00 C ATOM 980 NZ LYS A 64 5.757 -7.257 8.863 1.00 0.00 N ATOM 0 H LYS A 64 5.219 -9.178 3.334 1.00 0.00 H new ATOM 0 HA LYS A 64 2.935 -9.402 4.957 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.547 -7.016 3.976 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.280 -6.890 5.180 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.680 -8.720 5.504 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.668 -7.058 6.059 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.597 -7.598 7.420 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.786 -9.277 6.956 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.871 -9.173 9.040 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.196 -9.091 7.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.433 -7.437 9.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.213 -6.674 8.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.929 -6.754 9.240 1.00 0.00 H new ATOM 994 N ALA A 65 2.443 -8.150 1.988 1.00 0.00 N ATOM 995 CA ALA A 65 1.421 -7.721 1.043 1.00 0.00 C ATOM 996 C ALA A 65 0.422 -8.840 0.768 1.00 0.00 C ATOM 997 O ALA A 65 -0.790 -8.640 0.861 1.00 0.00 O ATOM 998 CB ALA A 65 2.064 -7.254 -0.255 1.00 0.00 C ATOM 0 H ALA A 65 3.363 -8.301 1.575 1.00 0.00 H new ATOM 0 HA ALA A 65 0.878 -6.887 1.488 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.288 -6.936 -0.952 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.732 -6.417 -0.050 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.633 -8.073 -0.694 1.00 0.00 H new ATOM 1004 N TYR A 66 0.937 -10.016 0.429 1.00 0.00 N ATOM 1005 CA TYR A 66 0.090 -11.166 0.137 1.00 0.00 C ATOM 1006 C TYR A 66 -0.635 -11.641 1.393 1.00 0.00 C ATOM 1007 O TYR A 66 -1.830 -11.933 1.359 1.00 0.00 O ATOM 1008 CB TYR A 66 0.926 -12.308 -0.445 1.00 0.00 C ATOM 1009 CG TYR A 66 0.163 -13.605 -0.588 1.00 0.00 C ATOM 1010 CD1 TYR A 66 -1.147 -13.616 -1.052 1.00 0.00 C ATOM 1011 CD2 TYR A 66 0.751 -14.820 -0.259 1.00 0.00 C ATOM 1012 CE1 TYR A 66 -1.848 -14.798 -1.184 1.00 0.00 C ATOM 1013 CE2 TYR A 66 0.058 -16.008 -0.389 1.00 0.00 C ATOM 1014 CZ TYR A 66 -1.241 -15.992 -0.852 1.00 0.00 C ATOM 1015 OH TYR A 66 -1.936 -17.173 -0.982 1.00 0.00 O ATOM 0 H TYR A 66 1.937 -10.198 0.350 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.655 -10.859 -0.597 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.304 -12.009 -1.423 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.793 -12.475 0.194 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.625 -12.684 -1.314 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.768 -14.836 0.105 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.866 -14.788 -1.545 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.531 -16.944 -0.130 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.365 -17.921 -0.707 1.00 0.00 H new ATOM 1025 N GLU A 67 0.098 -11.714 2.500 1.00 0.00 N ATOM 1026 CA GLU A 67 -0.475 -12.154 3.767 1.00 0.00 C ATOM 1027 C GLU A 67 -1.891 -11.613 3.940 1.00 0.00 C ATOM 1028 O GLU A 67 -2.802 -12.344 4.333 1.00 0.00 O ATOM 1029 CB GLU A 67 0.403 -11.697 4.934 1.00 0.00 C ATOM 1030 CG GLU A 67 1.643 -12.552 5.134 1.00 0.00 C ATOM 1031 CD GLU A 67 1.359 -13.817 5.921 1.00 0.00 C ATOM 1032 OE1 GLU A 67 0.465 -14.585 5.507 1.00 0.00 O ATOM 1033 OE2 GLU A 67 2.029 -14.039 6.951 1.00 0.00 O ATOM 0 H GLU A 67 1.088 -11.474 2.545 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.519 -13.243 3.759 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.708 -10.664 4.766 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.188 -11.710 5.849 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.056 -12.819 4.161 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.402 -11.968 5.654 1.00 0.00 H new ATOM 1040 N ILE A 68 -2.069 -10.330 3.644 1.00 0.00 N ATOM 1041 CA ILE A 68 -3.374 -9.692 3.766 1.00 0.00 C ATOM 1042 C ILE A 68 -4.429 -10.440 2.958 1.00 0.00 C ATOM 1043 O ILE A 68 -5.356 -11.026 3.519 1.00 0.00 O ATOM 1044 CB ILE A 68 -3.330 -8.226 3.299 1.00 0.00 C ATOM 1045 CG1 ILE A 68 -2.306 -7.437 4.118 1.00 0.00 C ATOM 1046 CG2 ILE A 68 -4.708 -7.592 3.411 1.00 0.00 C ATOM 1047 CD1 ILE A 68 -1.986 -6.077 3.538 1.00 0.00 C ATOM 0 H ILE A 68 -1.326 -9.712 3.318 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.641 -9.720 4.822 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.026 -8.203 2.253 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.684 -7.310 5.132 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.386 -8.017 4.191 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.660 -6.556 3.077 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.413 -8.142 2.788 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.040 -7.624 4.449 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.254 -5.575 4.170 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.578 -6.196 2.534 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.896 -5.478 3.491 1.00 0.00 H new ATOM 1059 N LEU A 69 -4.281 -10.418 1.638 1.00 0.00 N ATOM 1060 CA LEU A 69 -5.221 -11.095 0.751 1.00 0.00 C ATOM 1061 C LEU A 69 -5.328 -12.576 1.101 1.00 0.00 C ATOM 1062 O LEU A 69 -6.421 -13.089 1.343 1.00 0.00 O ATOM 1063 CB LEU A 69 -4.784 -10.934 -0.706 1.00 0.00 C ATOM 1064 CG LEU A 69 -4.560 -9.499 -1.184 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -3.856 -9.490 -2.532 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -5.882 -8.751 -1.266 1.00 0.00 C ATOM 0 H LEU A 69 -3.519 -9.939 1.158 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.201 -10.637 0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.859 -11.493 -0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.538 -11.395 -1.344 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.923 -8.991 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.705 -8.461 -2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.890 -9.987 -2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.468 -10.016 -3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.703 -7.732 -1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.544 -9.258 -1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.348 -8.727 -0.281 1.00 0.00 H new ATOM 1078 N SER A 70 -4.187 -13.257 1.127 1.00 0.00 N ATOM 1079 CA SER A 70 -4.153 -14.679 1.446 1.00 0.00 C ATOM 1080 C SER A 70 -5.223 -15.032 2.474 1.00 0.00 C ATOM 1081 O SER A 70 -5.984 -15.982 2.294 1.00 0.00 O ATOM 1082 CB SER A 70 -2.772 -15.072 1.975 1.00 0.00 C ATOM 1083 OG SER A 70 -2.662 -16.477 2.119 1.00 0.00 O ATOM 0 H SER A 70 -3.274 -12.847 0.931 1.00 0.00 H new ATOM 0 HA SER A 70 -4.356 -15.236 0.531 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.002 -14.712 1.293 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.597 -14.590 2.937 1.00 0.00 H new ATOM 0 HG SER A 70 -2.309 -16.864 1.291 1.00 0.00 H new ATOM 1089 N ASN A 71 -5.276 -14.258 3.553 1.00 0.00 N ATOM 1090 CA ASN A 71 -6.252 -14.487 4.612 1.00 0.00 C ATOM 1091 C ASN A 71 -7.653 -14.089 4.156 1.00 0.00 C ATOM 1092 O ASN A 71 -7.882 -12.951 3.747 1.00 0.00 O ATOM 1093 CB ASN A 71 -5.869 -13.700 5.867 1.00 0.00 C ATOM 1094 CG ASN A 71 -6.824 -13.948 7.019 1.00 0.00 C ATOM 1095 OD1 ASN A 71 -7.978 -13.520 6.986 1.00 0.00 O ATOM 1096 ND2 ASN A 71 -6.346 -14.643 8.044 1.00 0.00 N ATOM 0 H ASN A 71 -4.654 -13.466 3.717 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.254 -15.552 4.846 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.859 -13.975 6.171 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.854 -12.635 5.634 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.942 -14.842 8.847 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.383 -14.978 8.028 1.00 0.00 H new ATOM 1103 N GLU A 72 -8.584 -15.034 4.230 1.00 0.00 N ATOM 1104 CA GLU A 72 -9.962 -14.781 3.824 1.00 0.00 C ATOM 1105 C GLU A 72 -10.550 -13.606 4.599 1.00 0.00 C ATOM 1106 O GLU A 72 -11.314 -12.810 4.053 1.00 0.00 O ATOM 1107 CB GLU A 72 -10.819 -16.030 4.043 1.00 0.00 C ATOM 1108 CG GLU A 72 -10.915 -16.455 5.499 1.00 0.00 C ATOM 1109 CD GLU A 72 -12.035 -17.448 5.744 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -13.197 -17.011 5.875 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -11.747 -18.662 5.804 1.00 0.00 O ATOM 0 H GLU A 72 -8.410 -15.981 4.567 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.961 -14.531 2.763 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.823 -15.843 3.661 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.404 -16.852 3.460 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.968 -16.898 5.808 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.073 -15.574 6.121 1.00 0.00 H new ATOM 1118 N GLU A 73 -10.189 -13.504 5.874 1.00 0.00 N ATOM 1119 CA GLU A 73 -10.682 -12.427 6.724 1.00 0.00 C ATOM 1120 C GLU A 73 -10.056 -11.093 6.329 1.00 0.00 C ATOM 1121 O GLU A 73 -10.739 -10.195 5.835 1.00 0.00 O ATOM 1122 CB GLU A 73 -10.381 -12.729 8.194 1.00 0.00 C ATOM 1123 CG GLU A 73 -11.394 -12.133 9.157 1.00 0.00 C ATOM 1124 CD GLU A 73 -10.787 -11.789 10.503 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -9.570 -11.512 10.553 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -11.529 -11.796 11.507 1.00 0.00 O ATOM 0 H GLU A 73 -9.557 -14.154 6.341 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.761 -12.357 6.589 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.350 -13.809 8.335 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.390 -12.347 8.439 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.824 -11.234 8.716 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.212 -12.839 9.301 1.00 0.00 H new ATOM 1133 N LYS A 74 -8.752 -10.969 6.551 1.00 0.00 N ATOM 1134 CA LYS A 74 -8.031 -9.746 6.218 1.00 0.00 C ATOM 1135 C LYS A 74 -8.421 -9.244 4.831 1.00 0.00 C ATOM 1136 O LYS A 74 -8.637 -8.049 4.631 1.00 0.00 O ATOM 1137 CB LYS A 74 -6.521 -9.986 6.279 1.00 0.00 C ATOM 1138 CG LYS A 74 -6.047 -10.544 7.610 1.00 0.00 C ATOM 1139 CD LYS A 74 -4.532 -10.504 7.723 1.00 0.00 C ATOM 1140 CE LYS A 74 -3.901 -11.786 7.204 1.00 0.00 C ATOM 1141 NZ LYS A 74 -2.480 -11.918 7.632 1.00 0.00 N ATOM 0 H LYS A 74 -8.172 -11.701 6.961 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.301 -8.985 6.950 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.239 -10.676 5.484 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.004 -9.046 6.084 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.489 -9.970 8.424 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.394 -11.571 7.719 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.146 -9.654 7.160 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.248 -10.353 8.764 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.470 -12.643 7.565 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.955 -11.803 6.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.086 -12.805 7.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.931 -11.114 7.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.430 -11.928 8.671 1.00 0.00 H new ATOM 1155 N ARG A 75 -8.512 -10.166 3.878 1.00 0.00 N ATOM 1156 CA ARG A 75 -8.877 -9.816 2.510 1.00 0.00 C ATOM 1157 C ARG A 75 -10.234 -9.121 2.470 1.00 0.00 C ATOM 1158 O ARG A 75 -10.339 -7.961 2.072 1.00 0.00 O ATOM 1159 CB ARG A 75 -8.907 -11.069 1.632 1.00 0.00 C ATOM 1160 CG ARG A 75 -8.982 -10.768 0.144 1.00 0.00 C ATOM 1161 CD ARG A 75 -9.159 -12.038 -0.673 1.00 0.00 C ATOM 1162 NE ARG A 75 -9.356 -11.753 -2.092 1.00 0.00 N ATOM 1163 CZ ARG A 75 -10.498 -11.302 -2.599 1.00 0.00 C ATOM 1164 NH1 ARG A 75 -11.539 -11.084 -1.807 1.00 0.00 N ATOM 1165 NH2 ARG A 75 -10.600 -11.066 -3.900 1.00 0.00 N ATOM 0 H ARG A 75 -8.338 -11.160 4.028 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.125 -9.128 2.124 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -8.014 -11.662 1.830 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.765 -11.680 1.914 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.814 -10.091 -0.050 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.073 -10.255 -0.171 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.282 -12.674 -0.549 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.014 -12.597 -0.293 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.574 -11.909 -2.728 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.464 -11.263 -0.806 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.415 -10.738 -2.199 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.801 -11.231 -4.512 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -11.477 -10.720 -4.288 1.00 0.00 H new ATOM 1179 N THR A 76 -11.274 -9.839 2.885 1.00 0.00 N ATOM 1180 CA THR A 76 -12.625 -9.292 2.896 1.00 0.00 C ATOM 1181 C THR A 76 -12.666 -7.942 3.602 1.00 0.00 C ATOM 1182 O THR A 76 -13.231 -6.978 3.086 1.00 0.00 O ATOM 1183 CB THR A 76 -13.613 -10.251 3.586 1.00 0.00 C ATOM 1184 OG1 THR A 76 -13.527 -11.552 2.995 1.00 0.00 O ATOM 1185 CG2 THR A 76 -15.038 -9.731 3.475 1.00 0.00 C ATOM 0 H THR A 76 -11.206 -10.801 3.218 1.00 0.00 H new ATOM 0 HA THR A 76 -12.923 -9.163 1.855 1.00 0.00 H new ATOM 0 HB THR A 76 -13.347 -10.314 4.641 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.755 -12.029 3.365 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.718 -10.425 3.969 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.107 -8.753 3.952 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.312 -9.642 2.424 1.00 0.00 H new