USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=13 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 USER MOD Set 1.2: A 70 SER OG : rot 115:sc= 0.852 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= -3.83! K(o=-3.8!,f=-2) USER MOD Single : A 35 LYS NZ :NH3+ -125:sc= -0.534 (180deg=-2.25!) 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+ 168:sc= -0.0168 (180deg=-0.162) USER MOD Single : A 40 LYS NZ :NH3+ -165:sc= -1.03 (180deg=-1.63) USER MOD Single : A 46 HIS : no HD1:sc= -1.96 K(o=-2,f=-6.5!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -6.28! C(o=-6.3!,f=-4.6!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 157:sc= -0.111 (180deg=-0.593) USER MOD Single : A 76 THR OG1 : rot 77:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 191 N ASP A 16 -0.146 3.654 3.148 1.00 0.00 N ATOM 192 CA ASP A 16 1.295 3.678 2.925 1.00 0.00 C ATOM 193 C ASP A 16 1.661 2.914 1.656 1.00 0.00 C ATOM 194 O ASP A 16 2.297 3.458 0.753 1.00 0.00 O ATOM 195 CB ASP A 16 2.029 3.079 4.125 1.00 0.00 C ATOM 196 CG ASP A 16 1.655 3.756 5.429 1.00 0.00 C ATOM 197 OD1 ASP A 16 0.547 3.491 5.940 1.00 0.00 O ATOM 198 OD2 ASP A 16 2.472 4.551 5.940 1.00 0.00 O ATOM 0 HA ASP A 16 1.601 4.717 2.804 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.801 2.015 4.193 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.104 3.165 3.970 1.00 0.00 H new ATOM 203 N PHE A 17 1.256 1.650 1.595 1.00 0.00 N ATOM 204 CA PHE A 17 1.542 0.809 0.438 1.00 0.00 C ATOM 205 C PHE A 17 0.348 -0.078 0.101 1.00 0.00 C ATOM 206 O PHE A 17 -0.369 -0.537 0.991 1.00 0.00 O ATOM 207 CB PHE A 17 2.776 -0.056 0.703 1.00 0.00 C ATOM 208 CG PHE A 17 2.498 -1.245 1.577 1.00 0.00 C ATOM 209 CD1 PHE A 17 1.758 -2.315 1.099 1.00 0.00 C ATOM 210 CD2 PHE A 17 2.977 -1.294 2.876 1.00 0.00 C ATOM 211 CE1 PHE A 17 1.500 -3.410 1.901 1.00 0.00 C ATOM 212 CE2 PHE A 17 2.723 -2.387 3.683 1.00 0.00 C ATOM 213 CZ PHE A 17 1.984 -3.447 3.194 1.00 0.00 C ATOM 0 H PHE A 17 0.728 1.185 2.334 1.00 0.00 H new ATOM 0 HA PHE A 17 1.739 1.460 -0.413 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.179 -0.401 -0.249 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.546 0.557 1.171 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.379 -2.293 0.088 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.556 -0.468 3.263 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.920 -4.236 1.517 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.102 -2.412 4.694 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.785 -4.303 3.822 1.00 0.00 H new ATOM 223 N ASP A 18 0.140 -0.314 -1.190 1.00 0.00 N ATOM 224 CA ASP A 18 -0.967 -1.147 -1.646 1.00 0.00 C ATOM 225 C ASP A 18 -0.520 -2.595 -1.824 1.00 0.00 C ATOM 226 O ASP A 18 0.599 -2.877 -2.252 1.00 0.00 O ATOM 227 CB ASP A 18 -1.529 -0.608 -2.962 1.00 0.00 C ATOM 228 CG ASP A 18 -2.507 0.531 -2.750 1.00 0.00 C ATOM 229 OD1 ASP A 18 -2.050 1.663 -2.486 1.00 0.00 O ATOM 230 OD2 ASP A 18 -3.729 0.291 -2.848 1.00 0.00 O ATOM 0 H ASP A 18 0.723 0.060 -1.939 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.749 -1.118 -0.887 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.708 -0.265 -3.591 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.027 -1.415 -3.499 1.00 0.00 H new ATOM 235 N PRO A 19 -1.414 -3.536 -1.487 1.00 0.00 N ATOM 236 CA PRO A 19 -1.135 -4.970 -1.600 1.00 0.00 C ATOM 237 C PRO A 19 -1.050 -5.431 -3.052 1.00 0.00 C ATOM 238 O PRO A 19 -0.164 -6.205 -3.417 1.00 0.00 O ATOM 239 CB PRO A 19 -2.331 -5.621 -0.901 1.00 0.00 C ATOM 240 CG PRO A 19 -3.429 -4.622 -1.020 1.00 0.00 C ATOM 241 CD PRO A 19 -2.768 -3.272 -0.969 1.00 0.00 C ATOM 0 HA PRO A 19 -0.173 -5.234 -1.161 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.601 -6.565 -1.375 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.108 -5.841 0.143 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.977 -4.753 -1.953 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.149 -4.735 -0.209 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.297 -2.542 -1.581 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.740 -2.876 0.046 1.00 0.00 H new ATOM 249 N TYR A 20 -1.977 -4.952 -3.874 1.00 0.00 N ATOM 250 CA TYR A 20 -2.008 -5.317 -5.286 1.00 0.00 C ATOM 251 C TYR A 20 -0.764 -4.807 -6.008 1.00 0.00 C ATOM 252 O TYR A 20 -0.200 -5.496 -6.858 1.00 0.00 O ATOM 253 CB TYR A 20 -3.264 -4.755 -5.952 1.00 0.00 C ATOM 254 CG TYR A 20 -4.472 -5.655 -5.823 1.00 0.00 C ATOM 255 CD1 TYR A 20 -4.925 -6.068 -4.576 1.00 0.00 C ATOM 256 CD2 TYR A 20 -5.160 -6.093 -6.948 1.00 0.00 C ATOM 257 CE1 TYR A 20 -6.028 -6.890 -4.453 1.00 0.00 C ATOM 258 CE2 TYR A 20 -6.265 -6.914 -6.834 1.00 0.00 C ATOM 259 CZ TYR A 20 -6.695 -7.311 -5.585 1.00 0.00 C ATOM 260 OH TYR A 20 -7.794 -8.130 -5.468 1.00 0.00 O ATOM 0 H TYR A 20 -2.717 -4.311 -3.588 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.025 -6.405 -5.354 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.495 -3.785 -5.512 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.059 -4.585 -7.009 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.406 -5.741 -3.688 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.825 -5.786 -7.928 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.367 -7.202 -3.476 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -6.790 -7.243 -7.719 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.147 -8.333 -6.359 1.00 0.00 H new ATOM 270 N ARG A 21 -0.342 -3.595 -5.662 1.00 0.00 N ATOM 271 CA ARG A 21 0.834 -2.991 -6.276 1.00 0.00 C ATOM 272 C ARG A 21 2.092 -3.786 -5.939 1.00 0.00 C ATOM 273 O ARG A 21 2.923 -4.052 -6.807 1.00 0.00 O ATOM 274 CB ARG A 21 0.992 -1.543 -5.810 1.00 0.00 C ATOM 275 CG ARG A 21 0.022 -0.580 -6.476 1.00 0.00 C ATOM 276 CD ARG A 21 0.435 -0.275 -7.907 1.00 0.00 C ATOM 277 NE ARG A 21 -0.071 1.019 -8.358 1.00 0.00 N ATOM 278 CZ ARG A 21 0.414 1.672 -9.409 1.00 0.00 C ATOM 279 NH1 ARG A 21 1.412 1.155 -10.112 1.00 0.00 N ATOM 280 NH2 ARG A 21 -0.099 2.845 -9.757 1.00 0.00 N ATOM 0 H ARG A 21 -0.797 -3.012 -4.960 1.00 0.00 H new ATOM 0 HA ARG A 21 0.696 -3.004 -7.357 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.850 -1.500 -4.730 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.012 -1.215 -6.010 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.980 -1.008 -6.469 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.023 0.347 -5.904 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.522 -0.285 -7.980 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.064 -1.059 -8.567 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.838 1.445 -7.838 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.810 0.254 -9.847 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.782 1.658 -10.918 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.866 3.246 -9.218 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.274 3.346 -10.564 1.00 0.00 H new ATOM 294 N VAL A 22 2.226 -4.161 -4.670 1.00 0.00 N ATOM 295 CA VAL A 22 3.382 -4.926 -4.218 1.00 0.00 C ATOM 296 C VAL A 22 3.484 -6.256 -4.955 1.00 0.00 C ATOM 297 O VAL A 22 4.500 -6.553 -5.585 1.00 0.00 O ATOM 298 CB VAL A 22 3.319 -5.194 -2.702 1.00 0.00 C ATOM 299 CG1 VAL A 22 4.444 -6.126 -2.277 1.00 0.00 C ATOM 300 CG2 VAL A 22 3.377 -3.887 -1.927 1.00 0.00 C ATOM 0 H VAL A 22 1.549 -3.947 -3.938 1.00 0.00 H new ATOM 0 HA VAL A 22 4.265 -4.325 -4.437 1.00 0.00 H new ATOM 0 HB VAL A 22 2.371 -5.682 -2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.383 -6.304 -1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.351 -7.074 -2.807 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.405 -5.669 -2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.331 -4.095 -0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.308 -3.369 -2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.533 -3.258 -2.210 1.00 0.00 H new ATOM 310 N LEU A 23 2.426 -7.055 -4.872 1.00 0.00 N ATOM 311 CA LEU A 23 2.396 -8.355 -5.532 1.00 0.00 C ATOM 312 C LEU A 23 2.447 -8.198 -7.049 1.00 0.00 C ATOM 313 O LEU A 23 3.138 -8.947 -7.738 1.00 0.00 O ATOM 314 CB LEU A 23 1.135 -9.124 -5.130 1.00 0.00 C ATOM 315 CG LEU A 23 1.119 -9.691 -3.710 1.00 0.00 C ATOM 316 CD1 LEU A 23 -0.218 -10.352 -3.415 1.00 0.00 C ATOM 317 CD2 LEU A 23 2.259 -10.681 -3.519 1.00 0.00 C ATOM 0 H LEU A 23 1.578 -6.825 -4.354 1.00 0.00 H new ATOM 0 HA LEU A 23 3.274 -8.916 -5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.277 -8.461 -5.245 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.997 -9.948 -5.830 1.00 0.00 H new ATOM 0 HG LEU A 23 1.257 -8.868 -3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.211 -10.750 -2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.017 -9.616 -3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.386 -11.164 -4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.233 -11.075 -2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.151 -11.501 -4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.211 -10.177 -3.688 1.00 0.00 H new ATOM 329 N GLY A 24 1.712 -7.216 -7.562 1.00 0.00 N ATOM 330 CA GLY A 24 1.689 -6.976 -8.993 1.00 0.00 C ATOM 331 C GLY A 24 0.512 -7.644 -9.674 1.00 0.00 C ATOM 332 O GLY A 24 0.671 -8.300 -10.704 1.00 0.00 O ATOM 0 H GLY A 24 1.132 -6.582 -7.012 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.650 -5.902 -9.178 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.616 -7.342 -9.435 1.00 0.00 H new ATOM 336 N VAL A 25 -0.675 -7.480 -9.098 1.00 0.00 N ATOM 337 CA VAL A 25 -1.884 -8.073 -9.656 1.00 0.00 C ATOM 338 C VAL A 25 -2.958 -7.016 -9.888 1.00 0.00 C ATOM 339 O VAL A 25 -2.790 -5.854 -9.519 1.00 0.00 O ATOM 340 CB VAL A 25 -2.449 -9.169 -8.733 1.00 0.00 C ATOM 341 CG1 VAL A 25 -1.770 -10.502 -9.008 1.00 0.00 C ATOM 342 CG2 VAL A 25 -2.289 -8.771 -7.273 1.00 0.00 C ATOM 0 H VAL A 25 -0.825 -6.941 -8.245 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.606 -8.520 -10.610 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.513 -9.281 -8.941 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.182 -11.264 -8.346 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.942 -10.791 -10.045 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.699 -10.408 -8.830 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.694 -9.557 -6.635 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.232 -8.629 -7.048 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.827 -7.841 -7.088 1.00 0.00 H new ATOM 352 N SER A 26 -4.063 -7.428 -10.501 1.00 0.00 N ATOM 353 CA SER A 26 -5.164 -6.516 -10.786 1.00 0.00 C ATOM 354 C SER A 26 -6.475 -7.052 -10.217 1.00 0.00 C ATOM 355 O SER A 26 -6.529 -8.168 -9.701 1.00 0.00 O ATOM 356 CB SER A 26 -5.300 -6.301 -12.295 1.00 0.00 C ATOM 357 OG SER A 26 -4.459 -5.250 -12.738 1.00 0.00 O ATOM 0 H SER A 26 -4.219 -8.387 -10.810 1.00 0.00 H new ATOM 0 HA SER A 26 -4.944 -5.561 -10.309 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.045 -7.221 -12.821 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.336 -6.070 -12.541 1.00 0.00 H new ATOM 0 HG SER A 26 -4.563 -5.134 -13.705 1.00 0.00 H new ATOM 363 N ARG A 27 -7.528 -6.248 -10.317 1.00 0.00 N ATOM 364 CA ARG A 27 -8.839 -6.640 -9.812 1.00 0.00 C ATOM 365 C ARG A 27 -9.175 -8.070 -10.225 1.00 0.00 C ATOM 366 O ARG A 27 -9.408 -8.934 -9.378 1.00 0.00 O ATOM 367 CB ARG A 27 -9.915 -5.683 -10.329 1.00 0.00 C ATOM 368 CG ARG A 27 -9.637 -4.223 -10.008 1.00 0.00 C ATOM 369 CD ARG A 27 -10.220 -3.300 -11.066 1.00 0.00 C ATOM 370 NE ARG A 27 -11.588 -2.899 -10.749 1.00 0.00 N ATOM 371 CZ ARG A 27 -12.469 -2.508 -11.663 1.00 0.00 C ATOM 372 NH1 ARG A 27 -12.128 -2.467 -12.943 1.00 0.00 N ATOM 373 NH2 ARG A 27 -13.696 -2.159 -11.296 1.00 0.00 N ATOM 0 H ARG A 27 -7.500 -5.322 -10.743 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.811 -6.591 -8.723 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.003 -5.798 -11.409 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -10.876 -5.964 -9.899 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -10.061 -3.976 -9.035 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.561 -4.063 -9.937 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.594 -2.412 -11.157 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -10.204 -3.802 -12.033 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.883 -2.920 -9.773 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.187 -2.736 -13.229 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.807 -2.166 -13.642 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -13.963 -2.191 -10.312 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -14.372 -1.859 -11.998 1.00 0.00 H new ATOM 387 N THR A 28 -9.198 -8.314 -11.531 1.00 0.00 N ATOM 388 CA THR A 28 -9.507 -9.638 -12.056 1.00 0.00 C ATOM 389 C THR A 28 -8.735 -10.720 -11.309 1.00 0.00 C ATOM 390 O THR A 28 -9.134 -11.884 -11.296 1.00 0.00 O ATOM 391 CB THR A 28 -9.183 -9.737 -13.558 1.00 0.00 C ATOM 392 OG1 THR A 28 -7.785 -9.512 -13.773 1.00 0.00 O ATOM 393 CG2 THR A 28 -9.992 -8.724 -14.355 1.00 0.00 C ATOM 0 H THR A 28 -9.006 -7.612 -12.245 1.00 0.00 H new ATOM 0 HA THR A 28 -10.576 -9.793 -11.912 1.00 0.00 H new ATOM 0 HB THR A 28 -9.447 -10.738 -13.898 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.586 -9.578 -14.730 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.746 -8.813 -15.413 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.056 -8.915 -14.213 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.755 -7.717 -14.011 1.00 0.00 H new ATOM 401 N ALA A 29 -7.628 -10.327 -10.687 1.00 0.00 N ATOM 402 CA ALA A 29 -6.802 -11.263 -9.935 1.00 0.00 C ATOM 403 C ALA A 29 -7.479 -11.668 -8.630 1.00 0.00 C ATOM 404 O ALA A 29 -7.714 -10.833 -7.756 1.00 0.00 O ATOM 405 CB ALA A 29 -5.435 -10.654 -9.656 1.00 0.00 C ATOM 0 H ALA A 29 -7.283 -9.367 -10.689 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.672 -12.161 -10.539 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.828 -11.364 -9.094 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.941 -10.422 -10.599 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.556 -9.740 -9.075 1.00 0.00 H new ATOM 411 N SER A 30 -7.792 -12.953 -8.504 1.00 0.00 N ATOM 412 CA SER A 30 -8.446 -13.468 -7.307 1.00 0.00 C ATOM 413 C SER A 30 -7.472 -14.284 -6.463 1.00 0.00 C ATOM 414 O SER A 30 -6.335 -14.524 -6.868 1.00 0.00 O ATOM 415 CB SER A 30 -9.652 -14.329 -7.690 1.00 0.00 C ATOM 416 OG SER A 30 -10.698 -13.534 -8.220 1.00 0.00 O ATOM 0 H SER A 30 -7.603 -13.658 -9.217 1.00 0.00 H new ATOM 0 HA SER A 30 -8.787 -12.618 -6.716 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.351 -15.076 -8.424 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.010 -14.870 -6.814 1.00 0.00 H new ATOM 0 HG SER A 30 -11.456 -14.107 -8.459 1.00 0.00 H new ATOM 422 N GLN A 31 -7.927 -14.706 -5.288 1.00 0.00 N ATOM 423 CA GLN A 31 -7.096 -15.494 -4.386 1.00 0.00 C ATOM 424 C GLN A 31 -6.171 -16.421 -5.168 1.00 0.00 C ATOM 425 O GLN A 31 -4.994 -16.562 -4.838 1.00 0.00 O ATOM 426 CB GLN A 31 -7.972 -16.311 -3.435 1.00 0.00 C ATOM 427 CG GLN A 31 -8.838 -15.459 -2.522 1.00 0.00 C ATOM 428 CD GLN A 31 -8.115 -15.035 -1.259 1.00 0.00 C ATOM 429 OE1 GLN A 31 -8.318 -15.611 -0.190 1.00 0.00 O ATOM 430 NE2 GLN A 31 -7.263 -14.023 -1.376 1.00 0.00 N ATOM 0 H GLN A 31 -8.866 -14.516 -4.938 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.483 -14.806 -3.803 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.614 -16.969 -4.021 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.333 -16.949 -2.824 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.166 -14.572 -3.063 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.734 -16.018 -2.253 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.125 -13.574 -2.282 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.746 -13.694 -0.560 1.00 0.00 H new ATOM 439 N ALA A 32 -6.712 -17.050 -6.205 1.00 0.00 N ATOM 440 CA ALA A 32 -5.935 -17.962 -7.035 1.00 0.00 C ATOM 441 C ALA A 32 -4.788 -17.233 -7.727 1.00 0.00 C ATOM 442 O ALA A 32 -3.617 -17.524 -7.482 1.00 0.00 O ATOM 443 CB ALA A 32 -6.832 -18.635 -8.064 1.00 0.00 C ATOM 0 H ALA A 32 -7.685 -16.945 -6.491 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.507 -18.727 -6.387 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.238 -19.313 -8.677 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.613 -19.198 -7.553 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.288 -17.877 -8.700 1.00 0.00 H new ATOM 449 N ASP A 33 -5.132 -16.286 -8.592 1.00 0.00 N ATOM 450 CA ASP A 33 -4.131 -15.515 -9.320 1.00 0.00 C ATOM 451 C ASP A 33 -3.108 -14.911 -8.362 1.00 0.00 C ATOM 452 O ASP A 33 -1.903 -14.972 -8.607 1.00 0.00 O ATOM 453 CB ASP A 33 -4.802 -14.407 -10.134 1.00 0.00 C ATOM 454 CG ASP A 33 -5.727 -14.953 -11.203 1.00 0.00 C ATOM 455 OD1 ASP A 33 -5.256 -15.748 -12.044 1.00 0.00 O ATOM 456 OD2 ASP A 33 -6.920 -14.586 -11.201 1.00 0.00 O ATOM 0 H ASP A 33 -6.097 -16.033 -8.806 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.611 -16.191 -10.000 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.368 -13.760 -9.464 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.036 -13.789 -10.602 1.00 0.00 H new ATOM 461 N ILE A 34 -3.598 -14.329 -7.273 1.00 0.00 N ATOM 462 CA ILE A 34 -2.726 -13.715 -6.279 1.00 0.00 C ATOM 463 C ILE A 34 -1.679 -14.704 -5.780 1.00 0.00 C ATOM 464 O ILE A 34 -0.477 -14.453 -5.875 1.00 0.00 O ATOM 465 CB ILE A 34 -3.530 -13.185 -5.076 1.00 0.00 C ATOM 466 CG1 ILE A 34 -4.619 -12.219 -5.548 1.00 0.00 C ATOM 467 CG2 ILE A 34 -2.604 -12.502 -4.080 1.00 0.00 C ATOM 468 CD1 ILE A 34 -5.670 -11.935 -4.499 1.00 0.00 C ATOM 0 H ILE A 34 -4.593 -14.270 -7.056 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.227 -12.879 -6.770 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.009 -14.028 -4.578 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.155 -11.280 -5.849 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.103 -12.634 -6.432 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.186 -12.133 -3.236 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.862 -13.217 -3.724 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.100 -11.667 -4.566 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.409 -11.243 -4.903 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.161 -12.866 -4.215 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.198 -11.491 -3.622 1.00 0.00 H new ATOM 480 N LYS A 35 -2.142 -15.830 -5.249 1.00 0.00 N ATOM 481 CA LYS A 35 -1.246 -16.860 -4.737 1.00 0.00 C ATOM 482 C LYS A 35 -0.088 -17.102 -5.700 1.00 0.00 C ATOM 483 O LYS A 35 1.073 -16.870 -5.363 1.00 0.00 O ATOM 484 CB LYS A 35 -2.013 -18.165 -4.508 1.00 0.00 C ATOM 485 CG LYS A 35 -1.149 -19.292 -3.971 1.00 0.00 C ATOM 486 CD LYS A 35 -1.871 -20.628 -4.036 1.00 0.00 C ATOM 487 CE LYS A 35 -1.856 -21.202 -5.445 1.00 0.00 C ATOM 488 NZ LYS A 35 -3.039 -20.763 -6.236 1.00 0.00 N ATOM 0 H LYS A 35 -3.134 -16.053 -5.162 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.840 -16.513 -3.787 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.829 -17.979 -3.809 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.464 -18.481 -5.448 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.225 -19.349 -4.546 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.870 -19.078 -2.939 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.399 -21.332 -3.350 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.902 -20.502 -3.704 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.943 -20.891 -5.954 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.837 -22.291 -5.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.539 -21.597 -6.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.680 -20.216 -5.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.725 -20.169 -7.030 1.00 0.00 H new ATOM 502 N LYS A 36 -0.411 -17.568 -6.902 1.00 0.00 N ATOM 503 CA LYS A 36 0.601 -17.838 -7.916 1.00 0.00 C ATOM 504 C LYS A 36 1.534 -16.644 -8.086 1.00 0.00 C ATOM 505 O LYS A 36 2.721 -16.806 -8.367 1.00 0.00 O ATOM 506 CB LYS A 36 -0.064 -18.174 -9.253 1.00 0.00 C ATOM 507 CG LYS A 36 -0.602 -19.592 -9.326 1.00 0.00 C ATOM 508 CD LYS A 36 -0.780 -20.048 -10.765 1.00 0.00 C ATOM 509 CE LYS A 36 -0.629 -21.556 -10.895 1.00 0.00 C ATOM 510 NZ LYS A 36 -1.398 -22.092 -12.052 1.00 0.00 N ATOM 0 H LYS A 36 -1.367 -17.767 -7.198 1.00 0.00 H new ATOM 0 HA LYS A 36 1.191 -18.693 -7.586 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.882 -17.475 -9.428 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.659 -18.027 -10.056 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.081 -20.268 -8.811 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.558 -19.647 -8.805 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.764 -19.748 -11.124 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.045 -19.552 -11.399 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.425 -21.807 -11.012 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.971 -22.036 -9.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.270 -23.123 -12.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.408 -21.875 -11.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.055 -21.653 -12.930 1.00 0.00 H new ATOM 524 N ALA A 37 0.990 -15.444 -7.911 1.00 0.00 N ATOM 525 CA ALA A 37 1.774 -14.223 -8.041 1.00 0.00 C ATOM 526 C ALA A 37 2.807 -14.112 -6.924 1.00 0.00 C ATOM 527 O ALA A 37 3.985 -13.858 -7.177 1.00 0.00 O ATOM 528 CB ALA A 37 0.861 -13.006 -8.041 1.00 0.00 C ATOM 0 H ALA A 37 0.009 -15.292 -7.679 1.00 0.00 H new ATOM 0 HA ALA A 37 2.307 -14.263 -8.991 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.461 -12.101 -8.139 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.166 -13.073 -8.878 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.301 -12.971 -7.106 1.00 0.00 H new ATOM 534 N TYR A 38 2.357 -14.302 -5.689 1.00 0.00 N ATOM 535 CA TYR A 38 3.242 -14.221 -4.532 1.00 0.00 C ATOM 536 C TYR A 38 4.409 -15.193 -4.670 1.00 0.00 C ATOM 537 O TYR A 38 5.572 -14.789 -4.680 1.00 0.00 O ATOM 538 CB TYR A 38 2.466 -14.516 -3.248 1.00 0.00 C ATOM 539 CG TYR A 38 3.347 -14.908 -2.084 1.00 0.00 C ATOM 540 CD1 TYR A 38 3.939 -13.943 -1.279 1.00 0.00 C ATOM 541 CD2 TYR A 38 3.588 -16.244 -1.789 1.00 0.00 C ATOM 542 CE1 TYR A 38 4.746 -14.296 -0.215 1.00 0.00 C ATOM 543 CE2 TYR A 38 4.392 -16.607 -0.726 1.00 0.00 C ATOM 544 CZ TYR A 38 4.969 -15.630 0.058 1.00 0.00 C ATOM 545 OH TYR A 38 5.771 -15.986 1.117 1.00 0.00 O ATOM 0 H TYR A 38 1.385 -14.513 -5.463 1.00 0.00 H new ATOM 0 HA TYR A 38 3.641 -13.208 -4.482 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.886 -13.635 -2.973 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.754 -15.319 -3.440 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.765 -12.898 -1.489 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.139 -17.012 -2.401 1.00 0.00 H new ATOM 0 HE1 TYR A 38 5.200 -13.532 0.400 1.00 0.00 H new ATOM 0 HE2 TYR A 38 4.568 -17.650 -0.510 1.00 0.00 H new ATOM 0 HH TYR A 38 5.824 -16.963 1.173 1.00 0.00 H new ATOM 555 N LYS A 39 4.090 -16.479 -4.775 1.00 0.00 N ATOM 556 CA LYS A 39 5.110 -17.512 -4.914 1.00 0.00 C ATOM 557 C LYS A 39 6.272 -17.018 -5.770 1.00 0.00 C ATOM 558 O LYS A 39 7.435 -17.130 -5.381 1.00 0.00 O ATOM 559 CB LYS A 39 4.506 -18.773 -5.535 1.00 0.00 C ATOM 560 CG LYS A 39 3.930 -19.738 -4.513 1.00 0.00 C ATOM 561 CD LYS A 39 2.507 -19.365 -4.132 1.00 0.00 C ATOM 562 CE LYS A 39 1.945 -20.309 -3.081 1.00 0.00 C ATOM 563 NZ LYS A 39 2.665 -20.185 -1.783 1.00 0.00 N ATOM 0 H LYS A 39 3.133 -16.831 -4.766 1.00 0.00 H new ATOM 0 HA LYS A 39 5.489 -17.749 -3.920 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.720 -18.484 -6.233 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.274 -19.286 -6.115 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.946 -20.750 -4.918 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.557 -19.742 -3.621 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.487 -18.343 -3.753 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.874 -19.388 -5.019 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.886 -20.097 -2.931 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.017 -21.336 -3.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.134 -20.685 -1.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.613 -20.602 -1.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.751 -19.180 -1.528 1.00 0.00 H new ATOM 577 N LYS A 40 5.950 -16.469 -6.937 1.00 0.00 N ATOM 578 CA LYS A 40 6.966 -15.955 -7.847 1.00 0.00 C ATOM 579 C LYS A 40 7.829 -14.900 -7.160 1.00 0.00 C ATOM 580 O LYS A 40 9.050 -15.040 -7.078 1.00 0.00 O ATOM 581 CB LYS A 40 6.309 -15.359 -9.094 1.00 0.00 C ATOM 582 CG LYS A 40 7.298 -14.993 -10.187 1.00 0.00 C ATOM 583 CD LYS A 40 6.715 -13.969 -11.146 1.00 0.00 C ATOM 584 CE LYS A 40 7.023 -12.548 -10.700 1.00 0.00 C ATOM 585 NZ LYS A 40 6.011 -12.038 -9.734 1.00 0.00 N ATOM 0 H LYS A 40 4.993 -16.369 -7.274 1.00 0.00 H new ATOM 0 HA LYS A 40 7.606 -16.786 -8.143 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.589 -16.074 -9.492 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.749 -14.468 -8.809 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.208 -14.595 -9.737 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.581 -15.890 -10.738 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.119 -14.133 -12.145 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.636 -14.105 -11.212 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.011 -12.518 -10.241 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.056 -11.893 -11.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.102 -11.005 -9.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.057 -12.275 -10.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.167 -12.477 -8.804 1.00 0.00 H new ATOM 599 N LEU A 41 7.186 -13.847 -6.668 1.00 0.00 N ATOM 600 CA LEU A 41 7.895 -12.769 -5.986 1.00 0.00 C ATOM 601 C LEU A 41 8.700 -13.307 -4.808 1.00 0.00 C ATOM 602 O LEU A 41 9.920 -13.152 -4.755 1.00 0.00 O ATOM 603 CB LEU A 41 6.905 -11.709 -5.501 1.00 0.00 C ATOM 604 CG LEU A 41 6.524 -10.631 -6.517 1.00 0.00 C ATOM 605 CD1 LEU A 41 5.310 -9.850 -6.037 1.00 0.00 C ATOM 606 CD2 LEU A 41 7.697 -9.696 -6.768 1.00 0.00 C ATOM 0 H LEU A 41 6.176 -13.716 -6.728 1.00 0.00 H new ATOM 0 HA LEU A 41 8.586 -12.314 -6.696 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.994 -12.213 -5.177 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.328 -11.220 -4.624 1.00 0.00 H new ATOM 0 HG LEU A 41 6.268 -11.119 -7.457 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.054 -9.088 -6.773 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.467 -10.529 -5.910 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.538 -9.373 -5.084 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.407 -8.936 -7.493 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.985 -9.215 -5.833 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.540 -10.267 -7.157 1.00 0.00 H new ATOM 618 N ALA A 42 8.010 -13.941 -3.866 1.00 0.00 N ATOM 619 CA ALA A 42 8.661 -14.505 -2.690 1.00 0.00 C ATOM 620 C ALA A 42 9.815 -15.419 -3.088 1.00 0.00 C ATOM 621 O ALA A 42 10.831 -15.489 -2.396 1.00 0.00 O ATOM 622 CB ALA A 42 7.652 -15.264 -1.841 1.00 0.00 C ATOM 0 H ALA A 42 7.000 -14.077 -3.894 1.00 0.00 H new ATOM 0 HA ALA A 42 9.069 -13.683 -2.101 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.152 -15.680 -0.966 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.863 -14.584 -1.519 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.217 -16.072 -2.429 1.00 0.00 H new ATOM 628 N ARG A 43 9.652 -16.118 -4.206 1.00 0.00 N ATOM 629 CA ARG A 43 10.680 -17.030 -4.695 1.00 0.00 C ATOM 630 C ARG A 43 11.862 -16.257 -5.271 1.00 0.00 C ATOM 631 O ARG A 43 13.018 -16.596 -5.021 1.00 0.00 O ATOM 632 CB ARG A 43 10.100 -17.963 -5.759 1.00 0.00 C ATOM 633 CG ARG A 43 9.377 -19.170 -5.182 1.00 0.00 C ATOM 634 CD ARG A 43 8.621 -19.934 -6.258 1.00 0.00 C ATOM 635 NE ARG A 43 9.499 -20.818 -7.020 1.00 0.00 N ATOM 636 CZ ARG A 43 9.236 -21.227 -8.256 1.00 0.00 C ATOM 637 NH1 ARG A 43 8.127 -20.833 -8.867 1.00 0.00 N ATOM 638 NH2 ARG A 43 10.083 -22.031 -8.885 1.00 0.00 N ATOM 0 H ARG A 43 8.818 -16.071 -4.791 1.00 0.00 H new ATOM 0 HA ARG A 43 11.033 -17.626 -3.853 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.408 -17.400 -6.385 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.906 -18.308 -6.406 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.098 -19.832 -4.703 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.681 -18.843 -4.409 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.827 -20.521 -5.796 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.141 -19.227 -6.935 1.00 0.00 H new ATOM 0 HE ARG A 43 10.361 -21.139 -6.579 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.473 -20.214 -8.388 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.928 -21.149 -9.816 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.938 -22.336 -8.419 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.880 -22.344 -9.834 1.00 0.00 H new ATOM 652 N GLU A 44 11.563 -15.217 -6.043 1.00 0.00 N ATOM 653 CA GLU A 44 12.602 -14.397 -6.655 1.00 0.00 C ATOM 654 C GLU A 44 13.352 -13.590 -5.599 1.00 0.00 C ATOM 655 O GLU A 44 14.570 -13.709 -5.461 1.00 0.00 O ATOM 656 CB GLU A 44 11.993 -13.454 -7.695 1.00 0.00 C ATOM 657 CG GLU A 44 11.933 -14.047 -9.093 1.00 0.00 C ATOM 658 CD GLU A 44 10.982 -13.296 -10.005 1.00 0.00 C ATOM 659 OE1 GLU A 44 11.110 -12.058 -10.107 1.00 0.00 O ATOM 660 OE2 GLU A 44 10.110 -13.948 -10.617 1.00 0.00 O ATOM 0 H GLU A 44 10.611 -14.923 -6.259 1.00 0.00 H new ATOM 0 HA GLU A 44 13.310 -15.063 -7.149 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.985 -13.183 -7.381 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.576 -12.534 -7.724 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.932 -14.039 -9.530 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.621 -15.089 -9.028 1.00 0.00 H new ATOM 667 N TRP A 45 12.616 -12.770 -4.857 1.00 0.00 N ATOM 668 CA TRP A 45 13.211 -11.943 -3.814 1.00 0.00 C ATOM 669 C TRP A 45 13.481 -12.763 -2.557 1.00 0.00 C ATOM 670 O TRP A 45 13.799 -12.213 -1.502 1.00 0.00 O ATOM 671 CB TRP A 45 12.293 -10.766 -3.482 1.00 0.00 C ATOM 672 CG TRP A 45 11.972 -9.910 -4.670 1.00 0.00 C ATOM 673 CD1 TRP A 45 11.031 -10.157 -5.628 1.00 0.00 C ATOM 674 CD2 TRP A 45 12.594 -8.670 -5.025 1.00 0.00 C ATOM 675 NE1 TRP A 45 11.030 -9.146 -6.558 1.00 0.00 N ATOM 676 CE2 TRP A 45 11.979 -8.221 -6.211 1.00 0.00 C ATOM 677 CE3 TRP A 45 13.608 -7.895 -4.457 1.00 0.00 C ATOM 678 CZ2 TRP A 45 12.348 -7.033 -6.836 1.00 0.00 C ATOM 679 CZ3 TRP A 45 13.973 -6.716 -5.079 1.00 0.00 C ATOM 680 CH2 TRP A 45 13.344 -6.294 -6.258 1.00 0.00 C ATOM 0 H TRP A 45 11.607 -12.660 -4.958 1.00 0.00 H new ATOM 0 HA TRP A 45 14.161 -11.560 -4.187 1.00 0.00 H new ATOM 0 HB2 TRP A 45 11.365 -11.147 -3.056 1.00 0.00 H new ATOM 0 HB3 TRP A 45 12.766 -10.150 -2.717 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.383 -11.020 -5.651 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.421 -9.093 -7.375 1.00 0.00 H new ATOM 0 HE3 TRP A 45 14.098 -8.211 -3.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 11.865 -6.706 -7.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 14.756 -6.110 -4.649 1.00 0.00 H new ATOM 0 HH2 TRP A 45 13.651 -5.367 -6.720 1.00 0.00 H new ATOM 691 N HIS A 46 13.353 -14.081 -2.676 1.00 0.00 N ATOM 692 CA HIS A 46 13.585 -14.976 -1.549 1.00 0.00 C ATOM 693 C HIS A 46 14.964 -14.740 -0.941 1.00 0.00 C ATOM 694 O HIS A 46 15.993 -14.880 -1.602 1.00 0.00 O ATOM 695 CB HIS A 46 13.453 -16.434 -1.992 1.00 0.00 C ATOM 696 CG HIS A 46 12.969 -17.348 -0.909 1.00 0.00 C ATOM 697 ND1 HIS A 46 13.457 -17.313 0.380 1.00 0.00 N ATOM 698 CD2 HIS A 46 12.034 -18.326 -0.929 1.00 0.00 C ATOM 699 CE1 HIS A 46 12.844 -18.230 1.106 1.00 0.00 C ATOM 700 NE2 HIS A 46 11.975 -18.859 0.335 1.00 0.00 N ATOM 0 H HIS A 46 13.090 -14.552 -3.542 1.00 0.00 H new ATOM 0 HA HIS A 46 12.832 -14.765 -0.790 1.00 0.00 H new ATOM 0 HB2 HIS A 46 12.765 -16.488 -2.836 1.00 0.00 H new ATOM 0 HB3 HIS A 46 14.421 -16.786 -2.347 1.00 0.00 H new ATOM 0 HD2 HIS A 46 11.444 -18.631 -1.781 1.00 0.00 H new ATOM 0 HE1 HIS A 46 13.023 -18.431 2.152 1.00 0.00 H new ATOM 0 HE2 HIS A 46 11.360 -19.617 0.631 1.00 0.00 H new ATOM 708 N PRO A 47 14.988 -14.371 0.349 1.00 0.00 N ATOM 709 CA PRO A 47 16.235 -14.107 1.073 1.00 0.00 C ATOM 710 C PRO A 47 17.042 -15.377 1.320 1.00 0.00 C ATOM 711 O PRO A 47 18.111 -15.335 1.930 1.00 0.00 O ATOM 712 CB PRO A 47 15.755 -13.513 2.400 1.00 0.00 C ATOM 713 CG PRO A 47 14.378 -14.053 2.580 1.00 0.00 C ATOM 714 CD PRO A 47 13.800 -14.185 1.198 1.00 0.00 C ATOM 0 HA PRO A 47 16.901 -13.451 0.512 1.00 0.00 H new ATOM 0 HB2 PRO A 47 16.406 -13.806 3.224 1.00 0.00 H new ATOM 0 HB3 PRO A 47 15.752 -12.423 2.368 1.00 0.00 H new ATOM 0 HG2 PRO A 47 14.400 -15.018 3.087 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.774 -13.384 3.193 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.118 -15.032 1.127 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.236 -13.297 0.912 1.00 0.00 H new ATOM 722 N ASP A 48 16.526 -16.503 0.841 1.00 0.00 N ATOM 723 CA ASP A 48 17.200 -17.785 1.008 1.00 0.00 C ATOM 724 C ASP A 48 18.160 -18.049 -0.148 1.00 0.00 C ATOM 725 O ASP A 48 19.223 -18.642 0.037 1.00 0.00 O ATOM 726 CB ASP A 48 16.175 -18.916 1.104 1.00 0.00 C ATOM 727 CG ASP A 48 16.778 -20.272 0.796 1.00 0.00 C ATOM 728 OD1 ASP A 48 17.890 -20.552 1.289 1.00 0.00 O ATOM 729 OD2 ASP A 48 16.139 -21.053 0.060 1.00 0.00 O ATOM 0 H ASP A 48 15.643 -16.554 0.334 1.00 0.00 H new ATOM 0 HA ASP A 48 17.775 -17.747 1.933 1.00 0.00 H new ATOM 0 HB2 ASP A 48 15.748 -18.931 2.107 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.356 -18.720 0.412 1.00 0.00 H new ATOM 734 N LYS A 49 17.778 -17.605 -1.340 1.00 0.00 N ATOM 735 CA LYS A 49 18.603 -17.792 -2.528 1.00 0.00 C ATOM 736 C LYS A 49 19.394 -16.527 -2.845 1.00 0.00 C ATOM 737 O LYS A 49 20.490 -16.592 -3.400 1.00 0.00 O ATOM 738 CB LYS A 49 17.731 -18.176 -3.725 1.00 0.00 C ATOM 739 CG LYS A 49 18.512 -18.346 -5.017 1.00 0.00 C ATOM 740 CD LYS A 49 17.813 -19.301 -5.970 1.00 0.00 C ATOM 741 CE LYS A 49 18.511 -19.351 -7.320 1.00 0.00 C ATOM 742 NZ LYS A 49 17.602 -19.831 -8.397 1.00 0.00 N ATOM 0 H LYS A 49 16.901 -17.112 -1.510 1.00 0.00 H new ATOM 0 HA LYS A 49 19.308 -18.599 -2.327 1.00 0.00 H new ATOM 0 HB2 LYS A 49 17.210 -19.106 -3.500 1.00 0.00 H new ATOM 0 HB3 LYS A 49 16.969 -17.410 -3.869 1.00 0.00 H new ATOM 0 HG2 LYS A 49 18.636 -17.376 -5.499 1.00 0.00 H new ATOM 0 HG3 LYS A 49 19.511 -18.721 -4.793 1.00 0.00 H new ATOM 0 HD2 LYS A 49 17.790 -20.300 -5.534 1.00 0.00 H new ATOM 0 HD3 LYS A 49 16.778 -18.988 -6.106 1.00 0.00 H new ATOM 0 HE2 LYS A 49 18.882 -18.358 -7.574 1.00 0.00 H new ATOM 0 HE3 LYS A 49 19.378 -20.009 -7.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 18.115 -19.851 -9.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 17.267 -20.789 -8.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 16.787 -19.189 -8.475 1.00 0.00 H new ATOM 756 N ASN A 50 18.830 -15.377 -2.489 1.00 0.00 N ATOM 757 CA ASN A 50 19.484 -14.097 -2.736 1.00 0.00 C ATOM 758 C ASN A 50 20.731 -13.947 -1.870 1.00 0.00 C ATOM 759 O ASN A 50 20.705 -14.224 -0.671 1.00 0.00 O ATOM 760 CB ASN A 50 18.515 -12.945 -2.459 1.00 0.00 C ATOM 761 CG ASN A 50 17.708 -12.561 -3.684 1.00 0.00 C ATOM 762 OD1 ASN A 50 18.077 -12.889 -4.812 1.00 0.00 O ATOM 763 ND2 ASN A 50 16.600 -11.862 -3.467 1.00 0.00 N ATOM 0 H ASN A 50 17.922 -15.305 -2.029 1.00 0.00 H new ATOM 0 HA ASN A 50 19.785 -14.067 -3.783 1.00 0.00 H new ATOM 0 HB2 ASN A 50 17.836 -13.230 -1.655 1.00 0.00 H new ATOM 0 HB3 ASN A 50 19.076 -12.078 -2.110 1.00 0.00 H new ATOM 0 HD21 ASN A 50 16.016 -11.575 -4.252 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.333 -11.612 -2.515 1.00 0.00 H new ATOM 770 N LYS A 51 21.822 -13.506 -2.486 1.00 0.00 N ATOM 771 CA LYS A 51 23.080 -13.317 -1.773 1.00 0.00 C ATOM 772 C LYS A 51 23.266 -11.856 -1.376 1.00 0.00 C ATOM 773 O LYS A 51 23.707 -11.555 -0.267 1.00 0.00 O ATOM 774 CB LYS A 51 24.255 -13.774 -2.640 1.00 0.00 C ATOM 775 CG LYS A 51 24.369 -15.283 -2.764 1.00 0.00 C ATOM 776 CD LYS A 51 23.590 -15.805 -3.959 1.00 0.00 C ATOM 777 CE LYS A 51 24.109 -17.161 -4.414 1.00 0.00 C ATOM 778 NZ LYS A 51 23.649 -18.260 -3.520 1.00 0.00 N ATOM 0 H LYS A 51 21.861 -13.273 -3.478 1.00 0.00 H new ATOM 0 HA LYS A 51 23.049 -13.921 -0.866 1.00 0.00 H new ATOM 0 HB2 LYS A 51 24.150 -13.343 -3.636 1.00 0.00 H new ATOM 0 HB3 LYS A 51 25.181 -13.382 -2.219 1.00 0.00 H new ATOM 0 HG2 LYS A 51 25.418 -15.563 -2.862 1.00 0.00 H new ATOM 0 HG3 LYS A 51 23.998 -15.753 -1.853 1.00 0.00 H new ATOM 0 HD2 LYS A 51 22.535 -15.887 -3.699 1.00 0.00 H new ATOM 0 HD3 LYS A 51 23.662 -15.092 -4.781 1.00 0.00 H new ATOM 0 HE2 LYS A 51 23.772 -17.356 -5.432 1.00 0.00 H new ATOM 0 HE3 LYS A 51 25.199 -17.144 -4.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 24.024 -19.167 -3.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 23.992 -18.088 -2.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 22.610 -18.293 -3.518 1.00 0.00 H new ATOM 792 N ASP A 52 22.925 -10.952 -2.288 1.00 0.00 N ATOM 793 CA ASP A 52 23.052 -9.522 -2.032 1.00 0.00 C ATOM 794 C ASP A 52 22.337 -9.136 -0.741 1.00 0.00 C ATOM 795 O ASP A 52 21.195 -9.525 -0.494 1.00 0.00 O ATOM 796 CB ASP A 52 22.483 -8.719 -3.203 1.00 0.00 C ATOM 797 CG ASP A 52 23.476 -8.572 -4.340 1.00 0.00 C ATOM 798 OD1 ASP A 52 24.688 -8.461 -4.059 1.00 0.00 O ATOM 799 OD2 ASP A 52 23.041 -8.567 -5.510 1.00 0.00 O ATOM 0 H ASP A 52 22.559 -11.184 -3.211 1.00 0.00 H new ATOM 0 HA ASP A 52 24.112 -9.291 -1.924 1.00 0.00 H new ATOM 0 HB2 ASP A 52 21.582 -9.209 -3.572 1.00 0.00 H new ATOM 0 HB3 ASP A 52 22.187 -7.730 -2.852 1.00 0.00 H new ATOM 804 N PRO A 53 23.024 -8.353 0.105 1.00 0.00 N ATOM 805 CA PRO A 53 22.474 -7.898 1.385 1.00 0.00 C ATOM 806 C PRO A 53 21.349 -6.884 1.206 1.00 0.00 C ATOM 807 O PRO A 53 21.573 -5.771 0.733 1.00 0.00 O ATOM 808 CB PRO A 53 23.676 -7.246 2.075 1.00 0.00 C ATOM 809 CG PRO A 53 24.571 -6.827 0.961 1.00 0.00 C ATOM 810 CD PRO A 53 24.389 -7.851 -0.124 1.00 0.00 C ATOM 0 HA PRO A 53 22.031 -8.717 1.952 1.00 0.00 H new ATOM 0 HB2 PRO A 53 23.370 -6.392 2.680 1.00 0.00 H new ATOM 0 HB3 PRO A 53 24.177 -7.947 2.743 1.00 0.00 H new ATOM 0 HG2 PRO A 53 24.310 -5.830 0.605 1.00 0.00 H new ATOM 0 HG3 PRO A 53 25.610 -6.787 1.289 1.00 0.00 H new ATOM 0 HD2 PRO A 53 24.493 -7.409 -1.115 1.00 0.00 H new ATOM 0 HD3 PRO A 53 25.128 -8.649 -0.051 1.00 0.00 H new ATOM 818 N GLY A 54 20.138 -7.278 1.587 1.00 0.00 N ATOM 819 CA GLY A 54 18.995 -6.391 1.460 1.00 0.00 C ATOM 820 C GLY A 54 17.799 -7.075 0.829 1.00 0.00 C ATOM 821 O GLY A 54 16.657 -6.820 1.212 1.00 0.00 O ATOM 0 H GLY A 54 19.927 -8.195 1.981 1.00 0.00 H new ATOM 0 HA2 GLY A 54 18.718 -6.017 2.446 1.00 0.00 H new ATOM 0 HA3 GLY A 54 19.275 -5.526 0.858 1.00 0.00 H new ATOM 825 N ALA A 55 18.059 -7.943 -0.142 1.00 0.00 N ATOM 826 CA ALA A 55 16.994 -8.665 -0.828 1.00 0.00 C ATOM 827 C ALA A 55 15.875 -9.039 0.138 1.00 0.00 C ATOM 828 O ALA A 55 14.696 -8.952 -0.202 1.00 0.00 O ATOM 829 CB ALA A 55 17.550 -9.910 -1.502 1.00 0.00 C ATOM 0 H ALA A 55 18.998 -8.164 -0.472 1.00 0.00 H new ATOM 0 HA ALA A 55 16.576 -8.008 -1.591 1.00 0.00 H new ATOM 0 HB1 ALA A 55 16.744 -10.439 -2.010 1.00 0.00 H new ATOM 0 HB2 ALA A 55 18.310 -9.622 -2.229 1.00 0.00 H new ATOM 0 HB3 ALA A 55 17.995 -10.562 -0.751 1.00 0.00 H new ATOM 835 N GLU A 56 16.253 -9.456 1.342 1.00 0.00 N ATOM 836 CA GLU A 56 15.280 -9.845 2.356 1.00 0.00 C ATOM 837 C GLU A 56 14.264 -8.730 2.590 1.00 0.00 C ATOM 838 O GLU A 56 13.057 -8.972 2.616 1.00 0.00 O ATOM 839 CB GLU A 56 15.987 -10.189 3.668 1.00 0.00 C ATOM 840 CG GLU A 56 15.118 -10.969 4.641 1.00 0.00 C ATOM 841 CD GLU A 56 15.872 -11.391 5.887 1.00 0.00 C ATOM 842 OE1 GLU A 56 16.879 -12.117 5.753 1.00 0.00 O ATOM 843 OE2 GLU A 56 15.455 -10.996 6.996 1.00 0.00 O ATOM 0 H GLU A 56 17.226 -9.533 1.639 1.00 0.00 H new ATOM 0 HA GLU A 56 14.750 -10.727 1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.882 -10.770 3.447 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.316 -9.267 4.147 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.262 -10.358 4.928 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.724 -11.854 4.142 1.00 0.00 H new ATOM 850 N ASP A 57 14.761 -7.511 2.760 1.00 0.00 N ATOM 851 CA ASP A 57 13.898 -6.358 2.992 1.00 0.00 C ATOM 852 C ASP A 57 12.687 -6.391 2.065 1.00 0.00 C ATOM 853 O ASP A 57 11.544 -6.419 2.523 1.00 0.00 O ATOM 854 CB ASP A 57 14.679 -5.059 2.785 1.00 0.00 C ATOM 855 CG ASP A 57 13.771 -3.870 2.543 1.00 0.00 C ATOM 856 OD1 ASP A 57 13.163 -3.380 3.518 1.00 0.00 O ATOM 857 OD2 ASP A 57 13.668 -3.428 1.380 1.00 0.00 O ATOM 0 H ASP A 57 15.758 -7.295 2.742 1.00 0.00 H new ATOM 0 HA ASP A 57 13.546 -6.400 4.023 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.298 -4.867 3.661 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.354 -5.175 1.937 1.00 0.00 H new ATOM 862 N ARG A 58 12.945 -6.388 0.762 1.00 0.00 N ATOM 863 CA ARG A 58 11.876 -6.415 -0.229 1.00 0.00 C ATOM 864 C ARG A 58 10.946 -7.602 0.007 1.00 0.00 C ATOM 865 O ARG A 58 9.725 -7.452 0.031 1.00 0.00 O ATOM 866 CB ARG A 58 12.461 -6.485 -1.640 1.00 0.00 C ATOM 867 CG ARG A 58 11.442 -6.222 -2.737 1.00 0.00 C ATOM 868 CD ARG A 58 11.036 -4.757 -2.780 1.00 0.00 C ATOM 869 NE ARG A 58 9.773 -4.560 -3.486 1.00 0.00 N ATOM 870 CZ ARG A 58 9.115 -3.406 -3.507 1.00 0.00 C ATOM 871 NH1 ARG A 58 9.599 -2.352 -2.864 1.00 0.00 N ATOM 872 NH2 ARG A 58 7.972 -3.304 -4.172 1.00 0.00 N ATOM 0 H ARG A 58 13.885 -6.367 0.367 1.00 0.00 H new ATOM 0 HA ARG A 58 11.298 -5.496 -0.128 1.00 0.00 H new ATOM 0 HB2 ARG A 58 13.269 -5.759 -1.725 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.901 -7.471 -1.793 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.860 -6.513 -3.701 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.560 -6.841 -2.572 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.946 -4.376 -1.763 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.819 -4.178 -3.269 1.00 0.00 H new ATOM 0 HE ARG A 58 9.374 -5.352 -3.991 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.478 -2.426 -2.352 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.092 -1.467 -2.881 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.597 -4.112 -4.668 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.468 -2.417 -4.187 1.00 0.00 H new ATOM 886 N PHE A 59 11.534 -8.782 0.180 1.00 0.00 N ATOM 887 CA PHE A 59 10.759 -9.995 0.412 1.00 0.00 C ATOM 888 C PHE A 59 9.721 -9.775 1.509 1.00 0.00 C ATOM 889 O PHE A 59 8.544 -10.095 1.337 1.00 0.00 O ATOM 890 CB PHE A 59 11.684 -11.152 0.795 1.00 0.00 C ATOM 891 CG PHE A 59 11.002 -12.227 1.591 1.00 0.00 C ATOM 892 CD1 PHE A 59 10.386 -13.293 0.956 1.00 0.00 C ATOM 893 CD2 PHE A 59 10.977 -12.172 2.975 1.00 0.00 C ATOM 894 CE1 PHE A 59 9.757 -14.284 1.685 1.00 0.00 C ATOM 895 CE2 PHE A 59 10.351 -13.161 3.711 1.00 0.00 C ATOM 896 CZ PHE A 59 9.739 -14.218 3.065 1.00 0.00 C ATOM 0 H PHE A 59 12.544 -8.923 0.164 1.00 0.00 H new ATOM 0 HA PHE A 59 10.239 -10.246 -0.512 1.00 0.00 H new ATOM 0 HB2 PHE A 59 12.098 -11.591 -0.113 1.00 0.00 H new ATOM 0 HB3 PHE A 59 12.522 -10.761 1.371 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.398 -13.350 -0.122 1.00 0.00 H new ATOM 0 HD2 PHE A 59 11.452 -11.347 3.485 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.280 -15.109 1.177 1.00 0.00 H new ATOM 0 HE2 PHE A 59 10.340 -13.107 4.790 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.248 -14.991 3.637 1.00 0.00 H new ATOM 906 N ILE A 60 10.166 -9.229 2.636 1.00 0.00 N ATOM 907 CA ILE A 60 9.276 -8.966 3.760 1.00 0.00 C ATOM 908 C ILE A 60 8.003 -8.264 3.301 1.00 0.00 C ATOM 909 O ILE A 60 6.902 -8.617 3.723 1.00 0.00 O ATOM 910 CB ILE A 60 9.966 -8.104 4.834 1.00 0.00 C ATOM 911 CG1 ILE A 60 11.225 -8.803 5.349 1.00 0.00 C ATOM 912 CG2 ILE A 60 9.006 -7.818 5.980 1.00 0.00 C ATOM 913 CD1 ILE A 60 12.173 -7.879 6.081 1.00 0.00 C ATOM 0 H ILE A 60 11.137 -8.960 2.795 1.00 0.00 H new ATOM 0 HA ILE A 60 9.019 -9.933 4.192 1.00 0.00 H new ATOM 0 HB ILE A 60 10.259 -7.155 4.385 1.00 0.00 H new ATOM 0 HG12 ILE A 60 10.933 -9.614 6.016 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.749 -9.256 4.507 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.508 -7.208 6.731 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.135 -7.283 5.600 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.686 -8.758 6.430 1.00 0.00 H new ATOM 0 HD11 ILE A 60 13.043 -8.443 6.418 1.00 0.00 H new ATOM 0 HD12 ILE A 60 12.494 -7.082 5.411 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.666 -7.446 6.943 1.00 0.00 H new ATOM 925 N GLN A 61 8.161 -7.270 2.433 1.00 0.00 N ATOM 926 CA GLN A 61 7.023 -6.520 1.916 1.00 0.00 C ATOM 927 C GLN A 61 6.064 -7.435 1.162 1.00 0.00 C ATOM 928 O GLN A 61 4.870 -7.477 1.458 1.00 0.00 O ATOM 929 CB GLN A 61 7.503 -5.395 0.996 1.00 0.00 C ATOM 930 CG GLN A 61 7.766 -4.086 1.722 1.00 0.00 C ATOM 931 CD GLN A 61 8.492 -3.075 0.857 1.00 0.00 C ATOM 932 OE1 GLN A 61 9.719 -2.977 0.893 1.00 0.00 O ATOM 933 NE2 GLN A 61 7.736 -2.315 0.072 1.00 0.00 N ATOM 0 H GLN A 61 9.066 -6.966 2.073 1.00 0.00 H new ATOM 0 HA GLN A 61 6.491 -6.086 2.763 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.417 -5.712 0.494 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.755 -5.227 0.221 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.818 -3.661 2.053 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.356 -4.283 2.617 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.722 -2.430 0.074 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.169 -1.617 -0.532 1.00 0.00 H new ATOM 942 N ILE A 62 6.595 -8.167 0.188 1.00 0.00 N ATOM 943 CA ILE A 62 5.786 -9.082 -0.607 1.00 0.00 C ATOM 944 C ILE A 62 4.907 -9.954 0.283 1.00 0.00 C ATOM 945 O ILE A 62 3.702 -10.071 0.060 1.00 0.00 O ATOM 946 CB ILE A 62 6.664 -9.989 -1.489 1.00 0.00 C ATOM 947 CG1 ILE A 62 7.522 -9.144 -2.433 1.00 0.00 C ATOM 948 CG2 ILE A 62 5.798 -10.960 -2.277 1.00 0.00 C ATOM 949 CD1 ILE A 62 8.844 -9.788 -2.787 1.00 0.00 C ATOM 0 H ILE A 62 7.582 -8.144 -0.069 1.00 0.00 H new ATOM 0 HA ILE A 62 5.154 -8.468 -1.248 1.00 0.00 H new ATOM 0 HB ILE A 62 7.328 -10.566 -0.844 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.962 -8.955 -3.349 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.711 -8.176 -1.970 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.433 -11.594 -2.896 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.227 -11.581 -1.587 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.112 -10.401 -2.914 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.399 -9.133 -3.459 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.424 -9.952 -1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.663 -10.744 -3.279 1.00 0.00 H new ATOM 961 N SER A 63 5.518 -10.562 1.295 1.00 0.00 N ATOM 962 CA SER A 63 4.792 -11.425 2.219 1.00 0.00 C ATOM 963 C SER A 63 3.704 -10.645 2.950 1.00 0.00 C ATOM 964 O SER A 63 2.552 -11.075 3.017 1.00 0.00 O ATOM 965 CB SER A 63 5.755 -12.050 3.230 1.00 0.00 C ATOM 966 OG SER A 63 5.126 -13.090 3.959 1.00 0.00 O ATOM 0 H SER A 63 6.514 -10.473 1.496 1.00 0.00 H new ATOM 0 HA SER A 63 4.319 -12.219 1.641 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.628 -12.443 2.710 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.112 -11.284 3.918 1.00 0.00 H new ATOM 0 HG SER A 63 5.763 -13.474 4.597 1.00 0.00 H new ATOM 972 N LYS A 64 4.078 -9.494 3.499 1.00 0.00 N ATOM 973 CA LYS A 64 3.136 -8.650 4.225 1.00 0.00 C ATOM 974 C LYS A 64 1.947 -8.279 3.344 1.00 0.00 C ATOM 975 O LYS A 64 0.806 -8.255 3.803 1.00 0.00 O ATOM 976 CB LYS A 64 3.833 -7.382 4.721 1.00 0.00 C ATOM 977 CG LYS A 64 4.659 -7.593 5.978 1.00 0.00 C ATOM 978 CD LYS A 64 3.776 -7.812 7.195 1.00 0.00 C ATOM 979 CE LYS A 64 4.551 -8.447 8.339 1.00 0.00 C ATOM 980 NZ LYS A 64 3.850 -8.282 9.643 1.00 0.00 N ATOM 0 H LYS A 64 5.028 -9.124 3.455 1.00 0.00 H new ATOM 0 HA LYS A 64 2.768 -9.213 5.083 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.480 -7.001 3.931 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.081 -6.617 4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.315 -8.453 5.843 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.300 -6.727 6.143 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.361 -6.858 7.521 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.935 -8.451 6.925 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.694 -9.508 8.136 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.542 -7.997 8.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.410 -8.728 10.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.735 -7.269 9.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.914 -8.733 9.594 1.00 0.00 H new ATOM 994 N ALA A 65 2.223 -7.990 2.077 1.00 0.00 N ATOM 995 CA ALA A 65 1.176 -7.623 1.131 1.00 0.00 C ATOM 996 C ALA A 65 0.212 -8.782 0.902 1.00 0.00 C ATOM 997 O ALA A 65 -1.005 -8.617 0.990 1.00 0.00 O ATOM 998 CB ALA A 65 1.789 -7.175 -0.188 1.00 0.00 C ATOM 0 H ALA A 65 3.163 -8.003 1.681 1.00 0.00 H new ATOM 0 HA ALA A 65 0.611 -6.794 1.556 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.996 -6.904 -0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.431 -6.311 -0.016 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.380 -7.988 -0.609 1.00 0.00 H new ATOM 1004 N TYR A 66 0.764 -9.954 0.609 1.00 0.00 N ATOM 1005 CA TYR A 66 -0.048 -11.141 0.364 1.00 0.00 C ATOM 1006 C TYR A 66 -0.858 -11.512 1.603 1.00 0.00 C ATOM 1007 O TYR A 66 -2.060 -11.758 1.520 1.00 0.00 O ATOM 1008 CB TYR A 66 0.840 -12.316 -0.049 1.00 0.00 C ATOM 1009 CG TYR A 66 0.068 -13.577 -0.363 1.00 0.00 C ATOM 1010 CD1 TYR A 66 -1.085 -13.534 -1.138 1.00 0.00 C ATOM 1011 CD2 TYR A 66 0.490 -14.811 0.115 1.00 0.00 C ATOM 1012 CE1 TYR A 66 -1.794 -14.684 -1.427 1.00 0.00 C ATOM 1013 CE2 TYR A 66 -0.212 -15.966 -0.170 1.00 0.00 C ATOM 1014 CZ TYR A 66 -1.353 -15.897 -0.942 1.00 0.00 C ATOM 1015 OH TYR A 66 -2.056 -17.046 -1.227 1.00 0.00 O ATOM 0 H TYR A 66 1.770 -10.108 0.535 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.741 -10.915 -0.447 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.423 -12.030 -0.924 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.549 -12.524 0.752 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.432 -12.586 -1.521 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.383 -14.868 0.720 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.689 -14.633 -2.030 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.130 -16.917 0.209 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.611 -17.814 -0.811 1.00 0.00 H new ATOM 1025 N GLU A 67 -0.188 -11.548 2.751 1.00 0.00 N ATOM 1026 CA GLU A 67 -0.845 -11.889 4.007 1.00 0.00 C ATOM 1027 C GLU A 67 -2.246 -11.285 4.070 1.00 0.00 C ATOM 1028 O GLU A 67 -3.199 -11.945 4.484 1.00 0.00 O ATOM 1029 CB GLU A 67 -0.013 -11.398 5.193 1.00 0.00 C ATOM 1030 CG GLU A 67 1.132 -12.327 5.560 1.00 0.00 C ATOM 1031 CD GLU A 67 0.694 -13.774 5.676 1.00 0.00 C ATOM 1032 OE1 GLU A 67 -0.395 -14.022 6.234 1.00 0.00 O ATOM 1033 OE2 GLU A 67 1.442 -14.659 5.208 1.00 0.00 O ATOM 0 H GLU A 67 0.808 -11.345 2.837 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.933 -12.974 4.058 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.390 -10.413 4.960 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.665 -11.279 6.059 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.915 -12.248 4.806 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.567 -12.006 6.507 1.00 0.00 H new ATOM 1040 N ILE A 68 -2.361 -10.028 3.657 1.00 0.00 N ATOM 1041 CA ILE A 68 -3.643 -9.336 3.665 1.00 0.00 C ATOM 1042 C ILE A 68 -4.679 -10.087 2.837 1.00 0.00 C ATOM 1043 O ILE A 68 -5.781 -10.370 3.308 1.00 0.00 O ATOM 1044 CB ILE A 68 -3.512 -7.900 3.123 1.00 0.00 C ATOM 1045 CG1 ILE A 68 -2.509 -7.105 3.961 1.00 0.00 C ATOM 1046 CG2 ILE A 68 -4.868 -7.211 3.115 1.00 0.00 C ATOM 1047 CD1 ILE A 68 -1.842 -5.981 3.200 1.00 0.00 C ATOM 0 H ILE A 68 -1.581 -9.468 3.312 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.972 -9.295 4.703 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.144 -7.946 2.098 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.021 -6.691 4.830 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.743 -7.784 4.336 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.759 -6.197 2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.556 -7.769 2.479 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.263 -7.172 4.130 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.144 -5.461 3.856 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.301 -6.390 2.347 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.599 -5.281 2.848 1.00 0.00 H new ATOM 1059 N LEU A 69 -4.318 -10.410 1.600 1.00 0.00 N ATOM 1060 CA LEU A 69 -5.216 -11.132 0.704 1.00 0.00 C ATOM 1061 C LEU A 69 -5.294 -12.607 1.085 1.00 0.00 C ATOM 1062 O LEU A 69 -6.368 -13.122 1.397 1.00 0.00 O ATOM 1063 CB LEU A 69 -4.744 -10.992 -0.744 1.00 0.00 C ATOM 1064 CG LEU A 69 -4.459 -9.567 -1.222 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -3.414 -9.574 -2.327 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -5.740 -8.899 -1.701 1.00 0.00 C ATOM 0 H LEU A 69 -3.410 -10.184 1.194 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.211 -10.698 0.799 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.837 -11.584 -0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.501 -11.428 -1.396 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.066 -8.994 -0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.224 -8.552 -2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.490 -10.012 -1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.778 -10.163 -3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.518 -7.886 -2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.162 -9.471 -2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.458 -8.860 -0.882 1.00 0.00 H new ATOM 1078 N SER A 70 -4.149 -13.281 1.059 1.00 0.00 N ATOM 1079 CA SER A 70 -4.088 -14.698 1.399 1.00 0.00 C ATOM 1080 C SER A 70 -5.056 -15.026 2.532 1.00 0.00 C ATOM 1081 O SER A 70 -5.768 -16.029 2.483 1.00 0.00 O ATOM 1082 CB SER A 70 -2.664 -15.087 1.801 1.00 0.00 C ATOM 1083 OG SER A 70 -2.529 -16.494 1.900 1.00 0.00 O ATOM 0 H SER A 70 -3.251 -12.869 0.806 1.00 0.00 H new ATOM 0 HA SER A 70 -4.378 -15.271 0.518 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.957 -14.701 1.066 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.414 -14.626 2.757 1.00 0.00 H new ATOM 0 HG SER A 70 -1.902 -16.811 1.217 1.00 0.00 H new ATOM 1089 N ASN A 71 -5.076 -14.173 3.550 1.00 0.00 N ATOM 1090 CA ASN A 71 -5.956 -14.372 4.697 1.00 0.00 C ATOM 1091 C ASN A 71 -7.401 -14.037 4.338 1.00 0.00 C ATOM 1092 O ASN A 71 -7.706 -12.913 3.940 1.00 0.00 O ATOM 1093 CB ASN A 71 -5.498 -13.509 5.874 1.00 0.00 C ATOM 1094 CG ASN A 71 -4.487 -14.220 6.753 1.00 0.00 C ATOM 1095 OD1 ASN A 71 -3.362 -14.489 6.333 1.00 0.00 O ATOM 1096 ND2 ASN A 71 -4.886 -14.529 7.982 1.00 0.00 N ATOM 0 H ASN A 71 -4.494 -13.337 3.605 1.00 0.00 H new ATOM 0 HA ASN A 71 -5.905 -15.422 4.984 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.060 -12.585 5.495 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.364 -13.229 6.474 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.250 -15.009 8.619 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.828 -14.287 8.288 1.00 0.00 H new ATOM 1103 N GLU A 72 -8.284 -15.019 4.483 1.00 0.00 N ATOM 1104 CA GLU A 72 -9.696 -14.828 4.174 1.00 0.00 C ATOM 1105 C GLU A 72 -10.275 -13.664 4.973 1.00 0.00 C ATOM 1106 O GLU A 72 -11.008 -12.834 4.437 1.00 0.00 O ATOM 1107 CB GLU A 72 -10.484 -16.106 4.471 1.00 0.00 C ATOM 1108 CG GLU A 72 -10.092 -17.281 3.591 1.00 0.00 C ATOM 1109 CD GLU A 72 -10.952 -18.505 3.835 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -12.192 -18.386 3.744 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -10.387 -19.582 4.118 1.00 0.00 O ATOM 0 H GLU A 72 -8.047 -15.955 4.812 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.781 -14.596 3.112 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.336 -16.380 5.516 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.548 -15.905 4.342 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.172 -16.988 2.544 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -9.047 -17.534 3.773 1.00 0.00 H new ATOM 1118 N GLU A 73 -9.940 -13.611 6.259 1.00 0.00 N ATOM 1119 CA GLU A 73 -10.428 -12.550 7.132 1.00 0.00 C ATOM 1120 C GLU A 73 -9.842 -11.200 6.726 1.00 0.00 C ATOM 1121 O GLU A 73 -10.572 -10.279 6.360 1.00 0.00 O ATOM 1122 CB GLU A 73 -10.074 -12.855 8.589 1.00 0.00 C ATOM 1123 CG GLU A 73 -10.776 -14.084 9.141 1.00 0.00 C ATOM 1124 CD GLU A 73 -10.326 -14.429 10.548 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -9.245 -15.037 10.692 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -11.055 -14.092 11.504 1.00 0.00 O ATOM 0 H GLU A 73 -9.333 -14.290 6.719 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.512 -12.501 7.032 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.996 -12.995 8.671 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.331 -11.993 9.205 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.853 -13.915 9.139 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.586 -14.933 8.484 1.00 0.00 H new ATOM 1133 N LYS A 74 -8.520 -11.091 6.795 1.00 0.00 N ATOM 1134 CA LYS A 74 -7.834 -9.855 6.436 1.00 0.00 C ATOM 1135 C LYS A 74 -8.300 -9.351 5.073 1.00 0.00 C ATOM 1136 O LYS A 74 -8.557 -8.160 4.896 1.00 0.00 O ATOM 1137 CB LYS A 74 -6.320 -10.074 6.420 1.00 0.00 C ATOM 1138 CG LYS A 74 -5.723 -10.297 7.798 1.00 0.00 C ATOM 1139 CD LYS A 74 -4.244 -10.637 7.718 1.00 0.00 C ATOM 1140 CE LYS A 74 -3.395 -9.389 7.531 1.00 0.00 C ATOM 1141 NZ LYS A 74 -3.498 -8.468 8.696 1.00 0.00 N ATOM 0 H LYS A 74 -7.901 -11.844 7.096 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.078 -9.102 7.186 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.093 -10.935 5.791 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.841 -9.209 5.961 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.859 -9.401 8.403 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.256 -11.105 8.300 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.938 -11.153 8.628 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.072 -11.323 6.889 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.354 -9.677 7.387 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.710 -8.868 6.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.658 -7.856 8.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.350 -7.880 8.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.558 -9.023 9.573 1.00 0.00 H new ATOM 1155 N ARG A 75 -8.408 -10.265 4.114 1.00 0.00 N ATOM 1156 CA ARG A 75 -8.843 -9.913 2.768 1.00 0.00 C ATOM 1157 C ARG A 75 -10.222 -9.260 2.796 1.00 0.00 C ATOM 1158 O ARG A 75 -10.384 -8.107 2.397 1.00 0.00 O ATOM 1159 CB ARG A 75 -8.873 -11.156 1.877 1.00 0.00 C ATOM 1160 CG ARG A 75 -9.393 -10.887 0.475 1.00 0.00 C ATOM 1161 CD ARG A 75 -8.889 -11.926 -0.515 1.00 0.00 C ATOM 1162 NE ARG A 75 -9.439 -11.721 -1.852 1.00 0.00 N ATOM 1163 CZ ARG A 75 -10.618 -12.192 -2.243 1.00 0.00 C ATOM 1164 NH1 ARG A 75 -11.367 -12.891 -1.402 1.00 0.00 N ATOM 1165 NH2 ARG A 75 -11.050 -11.962 -3.476 1.00 0.00 N ATOM 0 H ARG A 75 -8.200 -11.255 4.245 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.130 -9.198 2.358 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -7.866 -11.569 1.809 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.498 -11.915 2.348 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.483 -10.889 0.483 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -9.079 -9.894 0.154 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.801 -11.885 -0.561 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -9.156 -12.922 -0.162 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.887 -11.186 -2.523 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.038 -13.068 -0.453 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.272 -13.252 -1.704 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -10.477 -11.423 -4.125 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -11.955 -12.324 -3.775 1.00 0.00 H new ATOM 1179 N THR A 76 -11.215 -10.007 3.270 1.00 0.00 N ATOM 1180 CA THR A 76 -12.580 -9.502 3.349 1.00 0.00 C ATOM 1181 C THR A 76 -12.607 -8.066 3.858 1.00 0.00 C ATOM 1182 O THR A 76 -13.073 -7.161 3.167 1.00 0.00 O ATOM 1183 CB THR A 76 -13.450 -10.378 4.270 1.00 0.00 C ATOM 1184 OG1 THR A 76 -13.464 -11.728 3.793 1.00 0.00 O ATOM 1185 CG2 THR A 76 -14.873 -9.844 4.338 1.00 0.00 C ATOM 0 H THR A 76 -11.099 -10.963 3.605 1.00 0.00 H new ATOM 0 HA THR A 76 -12.987 -9.533 2.339 1.00 0.00 H new ATOM 0 HB THR A 76 -13.020 -10.352 5.271 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.620 -12.167 4.029 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.469 -10.479 4.994 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.862 -8.827 4.729 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.310 -9.844 3.339 1.00 0.00 H new