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 113:sc= 0.742 USER MOD Set 2.1: A 26 SER OG : rot -150:sc= 0.832 USER MOD Set 2.2: A 28 THR OG1 : rot -20:sc= 0.477 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -1.55! K(o=-1.5!,f=-0.28) USER MOD Single : A 35 LYS NZ :NH3+ -159:sc= -0.0697 (180deg=-0.424) 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+ -153:sc= -0.106 (180deg=-0.691) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -1.83! C(o=-1.8!,f=-5.6!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.152 X(o=-0.15,f=-0.5) 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+ -125:sc= -3.02! (180deg=-4.99!) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 74 LYS NZ :NH3+ 155:sc= -0.111 (180deg=-0.499) USER MOD Single : A 76 THR OG1 : rot 84:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 191 N ASP A 16 -0.166 2.310 4.188 1.00 0.00 N ATOM 192 CA ASP A 16 1.156 2.690 3.703 1.00 0.00 C ATOM 193 C ASP A 16 1.324 2.318 2.233 1.00 0.00 C ATOM 194 O ASP A 16 1.411 3.189 1.368 1.00 0.00 O ATOM 195 CB ASP A 16 2.244 2.015 4.540 1.00 0.00 C ATOM 196 CG ASP A 16 3.594 2.688 4.387 1.00 0.00 C ATOM 197 OD1 ASP A 16 3.673 3.915 4.602 1.00 0.00 O ATOM 198 OD2 ASP A 16 4.571 1.986 4.053 1.00 0.00 O ATOM 0 HA ASP A 16 1.253 3.771 3.799 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.951 2.029 5.590 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.328 0.969 4.246 1.00 0.00 H new ATOM 203 N PHE A 17 1.369 1.019 1.959 1.00 0.00 N ATOM 204 CA PHE A 17 1.528 0.531 0.594 1.00 0.00 C ATOM 205 C PHE A 17 0.349 -0.350 0.190 1.00 0.00 C ATOM 206 O PHE A 17 -0.318 -0.941 1.039 1.00 0.00 O ATOM 207 CB PHE A 17 2.835 -0.254 0.459 1.00 0.00 C ATOM 208 CG PHE A 17 2.853 -1.528 1.254 1.00 0.00 C ATOM 209 CD1 PHE A 17 2.013 -2.579 0.923 1.00 0.00 C ATOM 210 CD2 PHE A 17 3.711 -1.676 2.332 1.00 0.00 C ATOM 211 CE1 PHE A 17 2.028 -3.752 1.653 1.00 0.00 C ATOM 212 CE2 PHE A 17 3.730 -2.847 3.066 1.00 0.00 C ATOM 213 CZ PHE A 17 2.888 -3.887 2.725 1.00 0.00 C ATOM 0 H PHE A 17 1.298 0.285 2.664 1.00 0.00 H new ATOM 0 HA PHE A 17 1.560 1.394 -0.072 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.002 -0.489 -0.592 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.664 0.377 0.780 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.339 -2.480 0.085 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.373 -0.866 2.602 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.367 -4.563 1.385 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.402 -2.948 3.905 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.902 -4.804 3.295 1.00 0.00 H new ATOM 223 N ASP A 18 0.099 -0.432 -1.112 1.00 0.00 N ATOM 224 CA ASP A 18 -0.999 -1.240 -1.630 1.00 0.00 C ATOM 225 C ASP A 18 -0.549 -2.678 -1.870 1.00 0.00 C ATOM 226 O ASP A 18 0.573 -2.939 -2.303 1.00 0.00 O ATOM 227 CB ASP A 18 -1.535 -0.637 -2.930 1.00 0.00 C ATOM 228 CG ASP A 18 -2.567 0.446 -2.683 1.00 0.00 C ATOM 229 OD1 ASP A 18 -2.560 1.030 -1.579 1.00 0.00 O ATOM 230 OD2 ASP A 18 -3.380 0.710 -3.593 1.00 0.00 O ATOM 0 H ASP A 18 0.642 0.051 -1.828 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.795 -1.246 -0.886 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.706 -0.221 -3.503 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.979 -1.426 -3.537 1.00 0.00 H new ATOM 235 N PRO A 19 -1.444 -3.634 -1.580 1.00 0.00 N ATOM 236 CA PRO A 19 -1.162 -5.062 -1.755 1.00 0.00 C ATOM 237 C PRO A 19 -1.068 -5.458 -3.225 1.00 0.00 C ATOM 238 O PRO A 19 -0.179 -6.213 -3.618 1.00 0.00 O ATOM 239 CB PRO A 19 -2.361 -5.745 -1.093 1.00 0.00 C ATOM 240 CG PRO A 19 -3.460 -4.742 -1.173 1.00 0.00 C ATOM 241 CD PRO A 19 -2.801 -3.395 -1.059 1.00 0.00 C ATOM 0 HA PRO A 19 -0.202 -5.344 -1.322 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.627 -6.666 -1.611 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.143 -6.012 -0.059 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.003 -4.832 -2.114 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.184 -4.891 -0.372 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.328 -2.639 -1.642 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.779 -3.044 -0.027 1.00 0.00 H new ATOM 249 N TYR A 20 -1.990 -4.944 -4.031 1.00 0.00 N ATOM 250 CA TYR A 20 -2.012 -5.246 -5.457 1.00 0.00 C ATOM 251 C TYR A 20 -0.737 -4.755 -6.138 1.00 0.00 C ATOM 252 O TYR A 20 -0.201 -5.417 -7.027 1.00 0.00 O ATOM 253 CB TYR A 20 -3.234 -4.605 -6.117 1.00 0.00 C ATOM 254 CG TYR A 20 -4.456 -5.496 -6.122 1.00 0.00 C ATOM 255 CD1 TYR A 20 -4.815 -6.223 -4.994 1.00 0.00 C ATOM 256 CD2 TYR A 20 -5.250 -5.612 -7.256 1.00 0.00 C ATOM 257 CE1 TYR A 20 -5.929 -7.039 -4.994 1.00 0.00 C ATOM 258 CE2 TYR A 20 -6.367 -6.425 -7.265 1.00 0.00 C ATOM 259 CZ TYR A 20 -6.703 -7.136 -6.132 1.00 0.00 C ATOM 260 OH TYR A 20 -7.814 -7.948 -6.138 1.00 0.00 O ATOM 0 H TYR A 20 -2.732 -4.316 -3.721 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.071 -6.328 -5.572 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.473 -3.677 -5.597 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.984 -4.339 -7.144 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.212 -6.149 -4.101 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.990 -5.057 -8.145 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.193 -7.598 -4.108 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -6.974 -6.503 -8.155 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.248 -7.902 -7.015 1.00 0.00 H new ATOM 270 N ARG A 21 -0.258 -3.591 -5.713 1.00 0.00 N ATOM 271 CA ARG A 21 0.953 -3.010 -6.280 1.00 0.00 C ATOM 272 C ARG A 21 2.182 -3.828 -5.893 1.00 0.00 C ATOM 273 O ARG A 21 3.043 -4.106 -6.727 1.00 0.00 O ATOM 274 CB ARG A 21 1.120 -1.565 -5.808 1.00 0.00 C ATOM 275 CG ARG A 21 0.178 -0.588 -6.492 1.00 0.00 C ATOM 276 CD ARG A 21 0.566 -0.365 -7.946 1.00 0.00 C ATOM 277 NE ARG A 21 -0.589 -0.033 -8.776 1.00 0.00 N ATOM 278 CZ ARG A 21 -0.493 0.473 -10.000 1.00 0.00 C ATOM 279 NH1 ARG A 21 0.699 0.705 -10.534 1.00 0.00 N ATOM 280 NH2 ARG A 21 -1.590 0.748 -10.694 1.00 0.00 N ATOM 0 H ARG A 21 -0.690 -3.031 -4.978 1.00 0.00 H new ATOM 0 HA ARG A 21 0.857 -3.022 -7.366 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.955 -1.522 -4.731 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.148 -1.250 -5.986 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.842 -0.968 -6.441 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.191 0.364 -5.961 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.299 0.440 -8.006 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.046 -1.263 -8.335 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.520 -0.199 -8.395 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.545 0.495 -10.004 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.770 1.094 -11.474 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.509 0.571 -10.287 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.515 1.137 -11.634 1.00 0.00 H new ATOM 294 N VAL A 22 2.255 -4.211 -4.622 1.00 0.00 N ATOM 295 CA VAL A 22 3.377 -4.998 -4.124 1.00 0.00 C ATOM 296 C VAL A 22 3.387 -6.392 -4.740 1.00 0.00 C ATOM 297 O VAL A 22 4.422 -6.870 -5.207 1.00 0.00 O ATOM 298 CB VAL A 22 3.336 -5.126 -2.590 1.00 0.00 C ATOM 299 CG1 VAL A 22 4.471 -6.010 -2.097 1.00 0.00 C ATOM 300 CG2 VAL A 22 3.398 -3.752 -1.939 1.00 0.00 C ATOM 0 H VAL A 22 1.550 -3.989 -3.919 1.00 0.00 H new ATOM 0 HA VAL A 22 4.286 -4.471 -4.412 1.00 0.00 H new ATOM 0 HB VAL A 22 2.394 -5.595 -2.307 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.426 -6.089 -1.011 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.376 -7.003 -2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.426 -5.573 -2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.368 -3.861 -0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.323 -3.254 -2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.547 -3.155 -2.267 1.00 0.00 H new ATOM 310 N LEU A 23 2.228 -7.041 -4.738 1.00 0.00 N ATOM 311 CA LEU A 23 2.101 -8.383 -5.297 1.00 0.00 C ATOM 312 C LEU A 23 2.120 -8.341 -6.822 1.00 0.00 C ATOM 313 O LEU A 23 2.634 -9.251 -7.471 1.00 0.00 O ATOM 314 CB LEU A 23 0.809 -9.040 -4.810 1.00 0.00 C ATOM 315 CG LEU A 23 0.879 -9.732 -3.448 1.00 0.00 C ATOM 316 CD1 LEU A 23 -0.343 -10.610 -3.231 1.00 0.00 C ATOM 317 CD2 LEU A 23 2.155 -10.554 -3.333 1.00 0.00 C ATOM 0 H LEU A 23 1.363 -6.660 -4.356 1.00 0.00 H new ATOM 0 HA LEU A 23 2.952 -8.974 -4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.031 -8.278 -4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.496 -9.774 -5.552 1.00 0.00 H new ATOM 0 HG LEU A 23 0.892 -8.966 -2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.275 -11.094 -2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.243 -9.997 -3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.388 -11.370 -4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.188 -11.039 -2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.171 -11.312 -4.116 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.020 -9.900 -3.443 1.00 0.00 H new ATOM 329 N GLY A 24 1.558 -7.277 -7.387 1.00 0.00 N ATOM 330 CA GLY A 24 1.523 -7.136 -8.831 1.00 0.00 C ATOM 331 C GLY A 24 0.379 -7.905 -9.462 1.00 0.00 C ATOM 332 O GLY A 24 0.596 -8.770 -10.309 1.00 0.00 O ATOM 0 H GLY A 24 1.126 -6.510 -6.871 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.432 -6.081 -9.088 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.466 -7.486 -9.250 1.00 0.00 H new ATOM 336 N VAL A 25 -0.843 -7.590 -9.046 1.00 0.00 N ATOM 337 CA VAL A 25 -2.027 -8.258 -9.575 1.00 0.00 C ATOM 338 C VAL A 25 -3.048 -7.246 -10.083 1.00 0.00 C ATOM 339 O VAL A 25 -3.042 -6.085 -9.675 1.00 0.00 O ATOM 340 CB VAL A 25 -2.691 -9.151 -8.510 1.00 0.00 C ATOM 341 CG1 VAL A 25 -2.058 -10.534 -8.503 1.00 0.00 C ATOM 342 CG2 VAL A 25 -2.593 -8.503 -7.137 1.00 0.00 C ATOM 0 H VAL A 25 -1.040 -6.876 -8.344 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.694 -8.882 -10.405 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.746 -9.263 -8.760 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.540 -11.151 -7.744 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.185 -10.997 -9.482 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.995 -10.447 -8.278 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.067 -9.147 -6.396 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.544 -8.360 -6.876 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.097 -7.537 -7.154 1.00 0.00 H new ATOM 352 N SER A 26 -3.924 -7.696 -10.976 1.00 0.00 N ATOM 353 CA SER A 26 -4.950 -6.829 -11.543 1.00 0.00 C ATOM 354 C SER A 26 -6.265 -6.975 -10.783 1.00 0.00 C ATOM 355 O SER A 26 -6.371 -7.772 -9.851 1.00 0.00 O ATOM 356 CB SER A 26 -5.164 -7.155 -13.022 1.00 0.00 C ATOM 357 OG SER A 26 -6.178 -8.132 -13.188 1.00 0.00 O ATOM 0 H SER A 26 -3.944 -8.655 -11.322 1.00 0.00 H new ATOM 0 HA SER A 26 -4.610 -5.798 -11.452 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.437 -6.248 -13.562 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.232 -7.516 -13.456 1.00 0.00 H new ATOM 0 HG SER A 26 -5.994 -8.661 -13.993 1.00 0.00 H new ATOM 363 N ARG A 27 -7.265 -6.199 -11.189 1.00 0.00 N ATOM 364 CA ARG A 27 -8.573 -6.241 -10.547 1.00 0.00 C ATOM 365 C ARG A 27 -9.257 -7.582 -10.792 1.00 0.00 C ATOM 366 O ARG A 27 -10.057 -8.043 -9.976 1.00 0.00 O ATOM 367 CB ARG A 27 -9.456 -5.104 -11.065 1.00 0.00 C ATOM 368 CG ARG A 27 -8.766 -3.750 -11.068 1.00 0.00 C ATOM 369 CD ARG A 27 -9.465 -2.770 -11.997 1.00 0.00 C ATOM 370 NE ARG A 27 -8.919 -2.814 -13.351 1.00 0.00 N ATOM 371 CZ ARG A 27 -7.755 -2.273 -13.692 1.00 0.00 C ATOM 372 NH1 ARG A 27 -7.018 -1.650 -12.783 1.00 0.00 N ATOM 373 NH2 ARG A 27 -7.326 -2.355 -14.945 1.00 0.00 N ATOM 0 H ARG A 27 -7.194 -5.534 -11.959 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.426 -6.118 -9.474 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -9.780 -5.340 -12.079 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -10.354 -5.043 -10.450 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.751 -3.346 -10.056 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.728 -3.870 -11.379 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -10.531 -2.997 -12.028 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.366 -1.760 -11.599 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.461 -3.286 -14.074 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.345 -1.585 -11.819 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.124 -1.235 -13.048 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.890 -2.834 -15.647 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.432 -1.939 -15.206 1.00 0.00 H new ATOM 387 N THR A 28 -8.939 -8.205 -11.922 1.00 0.00 N ATOM 388 CA THR A 28 -9.523 -9.493 -12.276 1.00 0.00 C ATOM 389 C THR A 28 -8.749 -10.642 -11.640 1.00 0.00 C ATOM 390 O THR A 28 -9.191 -11.790 -11.665 1.00 0.00 O ATOM 391 CB THR A 28 -9.555 -9.694 -13.803 1.00 0.00 C ATOM 392 OG1 THR A 28 -8.229 -9.613 -14.336 1.00 0.00 O ATOM 393 CG2 THR A 28 -10.439 -8.650 -14.468 1.00 0.00 C ATOM 0 H THR A 28 -8.280 -7.838 -12.608 1.00 0.00 H new ATOM 0 HA THR A 28 -10.544 -9.492 -11.895 1.00 0.00 H new ATOM 0 HB THR A 28 -9.969 -10.681 -14.008 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.650 -9.142 -13.702 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.446 -8.812 -15.546 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.455 -8.734 -14.082 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.051 -7.654 -14.253 1.00 0.00 H new ATOM 401 N ALA A 29 -7.592 -10.324 -11.069 1.00 0.00 N ATOM 402 CA ALA A 29 -6.758 -11.330 -10.423 1.00 0.00 C ATOM 403 C ALA A 29 -7.364 -11.778 -9.097 1.00 0.00 C ATOM 404 O ALA A 29 -7.436 -11.003 -8.143 1.00 0.00 O ATOM 405 CB ALA A 29 -5.352 -10.790 -10.207 1.00 0.00 C ATOM 0 H ALA A 29 -7.211 -9.378 -11.041 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.706 -12.198 -11.080 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.740 -11.552 -9.724 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.912 -10.527 -11.169 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.396 -9.904 -9.574 1.00 0.00 H new ATOM 411 N SER A 30 -7.801 -13.032 -9.045 1.00 0.00 N ATOM 412 CA SER A 30 -8.406 -13.581 -7.837 1.00 0.00 C ATOM 413 C SER A 30 -7.383 -14.374 -7.029 1.00 0.00 C ATOM 414 O SER A 30 -6.264 -14.610 -7.486 1.00 0.00 O ATOM 415 CB SER A 30 -9.593 -14.477 -8.197 1.00 0.00 C ATOM 416 OG SER A 30 -9.154 -15.722 -8.712 1.00 0.00 O ATOM 0 H SER A 30 -7.747 -13.687 -9.825 1.00 0.00 H new ATOM 0 HA SER A 30 -8.759 -12.749 -7.227 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.209 -14.642 -7.313 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.221 -13.976 -8.934 1.00 0.00 H new ATOM 0 HG SER A 30 -9.931 -16.277 -8.933 1.00 0.00 H new ATOM 422 N GLN A 31 -7.775 -14.782 -5.827 1.00 0.00 N ATOM 423 CA GLN A 31 -6.893 -15.548 -4.954 1.00 0.00 C ATOM 424 C GLN A 31 -5.994 -16.474 -5.767 1.00 0.00 C ATOM 425 O GLN A 31 -4.769 -16.403 -5.676 1.00 0.00 O ATOM 426 CB GLN A 31 -7.712 -16.363 -3.953 1.00 0.00 C ATOM 427 CG GLN A 31 -8.153 -15.566 -2.735 1.00 0.00 C ATOM 428 CD GLN A 31 -7.040 -15.387 -1.721 1.00 0.00 C ATOM 429 OE1 GLN A 31 -6.459 -16.361 -1.242 1.00 0.00 O ATOM 430 NE2 GLN A 31 -6.736 -14.138 -1.389 1.00 0.00 N ATOM 0 H GLN A 31 -8.698 -14.595 -5.435 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.263 -14.845 -4.409 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.594 -16.760 -4.456 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.121 -17.218 -3.623 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.508 -14.587 -3.055 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.994 -16.071 -2.260 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.244 -13.360 -1.811 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.995 -13.956 -0.712 1.00 0.00 H new ATOM 439 N ALA A 32 -6.611 -17.343 -6.561 1.00 0.00 N ATOM 440 CA ALA A 32 -5.867 -18.282 -7.391 1.00 0.00 C ATOM 441 C ALA A 32 -4.740 -17.579 -8.140 1.00 0.00 C ATOM 442 O ALA A 32 -3.629 -18.100 -8.241 1.00 0.00 O ATOM 443 CB ALA A 32 -6.801 -18.976 -8.371 1.00 0.00 C ATOM 0 H ALA A 32 -7.625 -17.416 -6.647 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.422 -19.032 -6.737 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.231 -19.674 -8.984 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.568 -19.520 -7.820 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.274 -18.232 -9.012 1.00 0.00 H new ATOM 449 N ASP A 33 -5.033 -16.393 -8.663 1.00 0.00 N ATOM 450 CA ASP A 33 -4.043 -15.618 -9.402 1.00 0.00 C ATOM 451 C ASP A 33 -3.034 -14.978 -8.454 1.00 0.00 C ATOM 452 O ASP A 33 -1.844 -14.899 -8.760 1.00 0.00 O ATOM 453 CB ASP A 33 -4.731 -14.539 -10.239 1.00 0.00 C ATOM 454 CG ASP A 33 -5.122 -15.036 -11.617 1.00 0.00 C ATOM 455 OD1 ASP A 33 -4.294 -14.922 -12.545 1.00 0.00 O ATOM 456 OD2 ASP A 33 -6.256 -15.537 -11.768 1.00 0.00 O ATOM 0 H ASP A 33 -5.948 -15.948 -8.589 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.509 -16.297 -10.066 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.621 -14.190 -9.716 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.065 -13.682 -10.341 1.00 0.00 H new ATOM 461 N ILE A 34 -3.518 -14.523 -7.303 1.00 0.00 N ATOM 462 CA ILE A 34 -2.659 -13.890 -6.311 1.00 0.00 C ATOM 463 C ILE A 34 -1.604 -14.863 -5.797 1.00 0.00 C ATOM 464 O ILE A 34 -0.404 -14.626 -5.936 1.00 0.00 O ATOM 465 CB ILE A 34 -3.474 -13.357 -5.118 1.00 0.00 C ATOM 466 CG1 ILE A 34 -4.612 -12.460 -5.610 1.00 0.00 C ATOM 467 CG2 ILE A 34 -2.572 -12.597 -4.157 1.00 0.00 C ATOM 468 CD1 ILE A 34 -5.705 -12.253 -4.585 1.00 0.00 C ATOM 0 H ILE A 34 -4.500 -14.581 -7.035 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.168 -13.053 -6.807 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.907 -14.204 -4.586 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.203 -11.490 -5.894 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.046 -12.898 -6.509 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.163 -12.227 -3.319 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.793 -13.263 -3.785 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.113 -11.756 -4.677 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.478 -11.607 -5.002 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.141 -13.216 -4.319 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.285 -11.786 -3.694 1.00 0.00 H new ATOM 480 N LYS A 35 -2.059 -15.961 -5.203 1.00 0.00 N ATOM 481 CA LYS A 35 -1.155 -16.974 -4.670 1.00 0.00 C ATOM 482 C LYS A 35 0.062 -17.147 -5.573 1.00 0.00 C ATOM 483 O LYS A 35 1.202 -17.068 -5.117 1.00 0.00 O ATOM 484 CB LYS A 35 -1.886 -18.310 -4.519 1.00 0.00 C ATOM 485 CG LYS A 35 -1.058 -19.382 -3.832 1.00 0.00 C ATOM 486 CD LYS A 35 -1.936 -20.474 -3.244 1.00 0.00 C ATOM 487 CE LYS A 35 -1.130 -21.720 -2.913 1.00 0.00 C ATOM 488 NZ LYS A 35 -0.588 -22.372 -4.137 1.00 0.00 N ATOM 0 H LYS A 35 -3.049 -16.172 -5.078 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.813 -16.641 -3.690 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.803 -18.151 -3.951 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.181 -18.667 -5.506 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.362 -19.820 -4.548 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.460 -18.930 -3.041 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.423 -20.104 -2.342 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.726 -20.728 -3.951 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.308 -21.455 -2.249 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.760 -22.427 -2.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.364 -23.366 -3.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.297 -22.327 -4.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.276 -21.878 -4.440 1.00 0.00 H new ATOM 502 N LYS A 36 -0.188 -17.381 -6.857 1.00 0.00 N ATOM 503 CA LYS A 36 0.886 -17.563 -7.825 1.00 0.00 C ATOM 504 C LYS A 36 1.778 -16.327 -7.886 1.00 0.00 C ATOM 505 O LYS A 36 2.997 -16.435 -8.020 1.00 0.00 O ATOM 506 CB LYS A 36 0.307 -17.855 -9.211 1.00 0.00 C ATOM 507 CG LYS A 36 -0.333 -19.227 -9.325 1.00 0.00 C ATOM 508 CD LYS A 36 -1.017 -19.414 -10.670 1.00 0.00 C ATOM 509 CE LYS A 36 -0.005 -19.642 -11.782 1.00 0.00 C ATOM 510 NZ LYS A 36 -0.594 -20.402 -12.920 1.00 0.00 N ATOM 0 H LYS A 36 -1.126 -17.449 -7.251 1.00 0.00 H new ATOM 0 HA LYS A 36 1.491 -18.411 -7.504 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.436 -17.095 -9.453 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.101 -17.771 -9.953 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.428 -19.996 -9.193 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.061 -19.357 -8.524 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.699 -20.262 -10.618 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.619 -18.535 -10.899 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.365 -18.681 -12.140 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.853 -20.186 -11.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.127 -20.537 -13.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.924 -21.329 -12.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.397 -19.871 -13.314 1.00 0.00 H new ATOM 524 N ALA A 37 1.163 -15.153 -7.784 1.00 0.00 N ATOM 525 CA ALA A 37 1.902 -13.897 -7.824 1.00 0.00 C ATOM 526 C ALA A 37 2.792 -13.745 -6.595 1.00 0.00 C ATOM 527 O ALA A 37 3.943 -13.319 -6.699 1.00 0.00 O ATOM 528 CB ALA A 37 0.941 -12.722 -7.931 1.00 0.00 C ATOM 0 H ALA A 37 0.155 -15.046 -7.673 1.00 0.00 H new ATOM 0 HA ALA A 37 2.543 -13.909 -8.706 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.507 -11.791 -7.960 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.351 -12.816 -8.843 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.276 -12.716 -7.067 1.00 0.00 H new ATOM 534 N TYR A 38 2.252 -14.094 -5.433 1.00 0.00 N ATOM 535 CA TYR A 38 2.996 -13.992 -4.183 1.00 0.00 C ATOM 536 C TYR A 38 4.182 -14.952 -4.176 1.00 0.00 C ATOM 537 O TYR A 38 5.327 -14.542 -3.980 1.00 0.00 O ATOM 538 CB TYR A 38 2.080 -14.288 -2.994 1.00 0.00 C ATOM 539 CG TYR A 38 2.808 -14.853 -1.795 1.00 0.00 C ATOM 540 CD1 TYR A 38 3.432 -14.016 -0.878 1.00 0.00 C ATOM 541 CD2 TYR A 38 2.870 -16.224 -1.579 1.00 0.00 C ATOM 542 CE1 TYR A 38 4.098 -14.528 0.218 1.00 0.00 C ATOM 543 CE2 TYR A 38 3.533 -16.745 -0.484 1.00 0.00 C ATOM 544 CZ TYR A 38 4.146 -15.893 0.411 1.00 0.00 C ATOM 545 OH TYR A 38 4.807 -16.406 1.503 1.00 0.00 O ATOM 0 H TYR A 38 1.302 -14.450 -5.330 1.00 0.00 H new ATOM 0 HA TYR A 38 3.375 -12.973 -4.097 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.572 -13.370 -2.700 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.310 -14.993 -3.306 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.395 -12.947 -1.025 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.392 -16.894 -2.278 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.579 -13.863 0.920 1.00 0.00 H new ATOM 0 HE2 TYR A 38 3.571 -17.813 -0.330 1.00 0.00 H new ATOM 0 HH TYR A 38 4.746 -17.384 1.492 1.00 0.00 H new ATOM 555 N LYS A 39 3.901 -16.232 -4.392 1.00 0.00 N ATOM 556 CA LYS A 39 4.942 -17.252 -4.414 1.00 0.00 C ATOM 557 C LYS A 39 6.042 -16.887 -5.406 1.00 0.00 C ATOM 558 O LYS A 39 7.223 -16.870 -5.061 1.00 0.00 O ATOM 559 CB LYS A 39 4.344 -18.613 -4.778 1.00 0.00 C ATOM 560 CG LYS A 39 3.648 -19.302 -3.616 1.00 0.00 C ATOM 561 CD LYS A 39 2.905 -20.547 -4.071 1.00 0.00 C ATOM 562 CE LYS A 39 2.813 -21.579 -2.957 1.00 0.00 C ATOM 563 NZ LYS A 39 4.156 -22.082 -2.555 1.00 0.00 N ATOM 0 H LYS A 39 2.959 -16.588 -4.555 1.00 0.00 H new ATOM 0 HA LYS A 39 5.380 -17.309 -3.418 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.631 -18.481 -5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.137 -19.261 -5.151 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.384 -19.573 -2.859 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.948 -18.610 -3.148 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.902 -20.274 -4.399 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.414 -20.982 -4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.317 -21.137 -2.093 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.196 -22.415 -3.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.065 -23.044 -2.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.783 -22.099 -3.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.559 -21.455 -1.829 1.00 0.00 H new ATOM 577 N LYS A 40 5.645 -16.592 -6.639 1.00 0.00 N ATOM 578 CA LYS A 40 6.596 -16.224 -7.682 1.00 0.00 C ATOM 579 C LYS A 40 7.545 -15.135 -7.192 1.00 0.00 C ATOM 580 O LYS A 40 8.751 -15.190 -7.440 1.00 0.00 O ATOM 581 CB LYS A 40 5.854 -15.744 -8.931 1.00 0.00 C ATOM 582 CG LYS A 40 6.766 -15.479 -10.116 1.00 0.00 C ATOM 583 CD LYS A 40 6.001 -14.885 -11.287 1.00 0.00 C ATOM 584 CE LYS A 40 6.898 -14.017 -12.156 1.00 0.00 C ATOM 585 NZ LYS A 40 7.871 -14.830 -12.936 1.00 0.00 N ATOM 0 H LYS A 40 4.671 -16.600 -6.941 1.00 0.00 H new ATOM 0 HA LYS A 40 7.183 -17.108 -7.933 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.113 -16.492 -9.213 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.309 -14.831 -8.691 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.563 -14.798 -9.818 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.242 -16.410 -10.425 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.575 -15.687 -11.889 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.168 -14.290 -10.914 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.284 -13.431 -12.840 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.438 -13.309 -11.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.463 -14.201 -13.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.474 -15.370 -12.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.356 -15.488 -13.555 1.00 0.00 H new ATOM 599 N LEU A 41 6.996 -14.147 -6.494 1.00 0.00 N ATOM 600 CA LEU A 41 7.794 -13.046 -5.967 1.00 0.00 C ATOM 601 C LEU A 41 8.670 -13.513 -4.809 1.00 0.00 C ATOM 602 O LEU A 41 9.858 -13.199 -4.750 1.00 0.00 O ATOM 603 CB LEU A 41 6.885 -11.905 -5.507 1.00 0.00 C ATOM 604 CG LEU A 41 6.507 -10.876 -6.572 1.00 0.00 C ATOM 605 CD1 LEU A 41 5.198 -10.191 -6.212 1.00 0.00 C ATOM 606 CD2 LEU A 41 7.619 -9.851 -6.742 1.00 0.00 C ATOM 0 H LEU A 41 6.001 -14.086 -6.280 1.00 0.00 H new ATOM 0 HA LEU A 41 8.442 -12.686 -6.766 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.968 -12.337 -5.106 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.377 -11.384 -4.686 1.00 0.00 H new ATOM 0 HG LEU A 41 6.372 -11.396 -7.520 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.945 -9.462 -6.982 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.405 -10.935 -6.143 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.304 -9.684 -5.253 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.332 -9.126 -7.504 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.787 -9.336 -5.796 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.535 -10.356 -7.048 1.00 0.00 H new ATOM 618 N ALA A 42 8.074 -14.267 -3.891 1.00 0.00 N ATOM 619 CA ALA A 42 8.801 -14.782 -2.737 1.00 0.00 C ATOM 620 C ALA A 42 9.988 -15.634 -3.171 1.00 0.00 C ATOM 621 O ALA A 42 11.033 -15.637 -2.520 1.00 0.00 O ATOM 622 CB ALA A 42 7.869 -15.587 -1.843 1.00 0.00 C ATOM 0 H ALA A 42 7.090 -14.535 -3.924 1.00 0.00 H new ATOM 0 HA ALA A 42 9.185 -13.933 -2.172 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.425 -15.966 -0.985 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.057 -14.949 -1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.457 -16.424 -2.407 1.00 0.00 H new ATOM 628 N ARG A 43 9.820 -16.357 -4.273 1.00 0.00 N ATOM 629 CA ARG A 43 10.878 -17.215 -4.793 1.00 0.00 C ATOM 630 C ARG A 43 12.008 -16.383 -5.393 1.00 0.00 C ATOM 631 O ARG A 43 13.184 -16.696 -5.215 1.00 0.00 O ATOM 632 CB ARG A 43 10.317 -18.170 -5.847 1.00 0.00 C ATOM 633 CG ARG A 43 9.429 -19.261 -5.271 1.00 0.00 C ATOM 634 CD ARG A 43 9.147 -20.349 -6.295 1.00 0.00 C ATOM 635 NE ARG A 43 8.061 -19.981 -7.200 1.00 0.00 N ATOM 636 CZ ARG A 43 7.447 -20.845 -8.000 1.00 0.00 C ATOM 637 NH1 ARG A 43 7.810 -22.121 -8.007 1.00 0.00 N ATOM 638 NH2 ARG A 43 6.468 -20.435 -8.795 1.00 0.00 N ATOM 0 H ARG A 43 8.961 -16.366 -4.823 1.00 0.00 H new ATOM 0 HA ARG A 43 11.280 -17.797 -3.964 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.746 -17.597 -6.577 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.146 -18.633 -6.383 1.00 0.00 H new ATOM 0 HG2 ARG A 43 9.910 -19.699 -4.396 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.489 -18.826 -4.933 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.050 -20.545 -6.873 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.891 -21.275 -5.779 1.00 0.00 H new ATOM 0 HE ARG A 43 7.758 -19.007 -7.218 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.562 -22.441 -7.397 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.337 -22.783 -8.622 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.186 -19.455 -8.793 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.997 -21.100 -9.409 1.00 0.00 H new ATOM 652 N GLU A 44 11.640 -15.323 -6.106 1.00 0.00 N ATOM 653 CA GLU A 44 12.622 -14.447 -6.734 1.00 0.00 C ATOM 654 C GLU A 44 13.379 -13.638 -5.685 1.00 0.00 C ATOM 655 O GLU A 44 14.604 -13.715 -5.591 1.00 0.00 O ATOM 656 CB GLU A 44 11.938 -13.504 -7.726 1.00 0.00 C ATOM 657 CG GLU A 44 11.794 -14.089 -9.121 1.00 0.00 C ATOM 658 CD GLU A 44 13.107 -14.119 -9.879 1.00 0.00 C ATOM 659 OE1 GLU A 44 13.906 -13.173 -9.718 1.00 0.00 O ATOM 660 OE2 GLU A 44 13.335 -15.088 -10.633 1.00 0.00 O ATOM 0 H GLU A 44 10.670 -15.050 -6.263 1.00 0.00 H new ATOM 0 HA GLU A 44 13.336 -15.071 -7.271 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.950 -13.245 -7.346 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.509 -12.578 -7.787 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.398 -15.102 -9.047 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.067 -13.503 -9.684 1.00 0.00 H new ATOM 667 N TRP A 45 12.641 -12.862 -4.900 1.00 0.00 N ATOM 668 CA TRP A 45 13.241 -12.038 -3.857 1.00 0.00 C ATOM 669 C TRP A 45 13.547 -12.867 -2.615 1.00 0.00 C ATOM 670 O TRP A 45 13.855 -12.324 -1.554 1.00 0.00 O ATOM 671 CB TRP A 45 12.311 -10.879 -3.495 1.00 0.00 C ATOM 672 CG TRP A 45 12.001 -9.981 -4.655 1.00 0.00 C ATOM 673 CD1 TRP A 45 10.956 -10.099 -5.526 1.00 0.00 C ATOM 674 CD2 TRP A 45 12.745 -8.831 -5.071 1.00 0.00 C ATOM 675 NE1 TRP A 45 11.005 -9.090 -6.458 1.00 0.00 N ATOM 676 CE2 TRP A 45 12.093 -8.299 -6.200 1.00 0.00 C ATOM 677 CE3 TRP A 45 13.898 -8.198 -4.598 1.00 0.00 C ATOM 678 CZ2 TRP A 45 12.557 -7.165 -6.862 1.00 0.00 C ATOM 679 CZ3 TRP A 45 14.357 -7.073 -5.256 1.00 0.00 C ATOM 680 CH2 TRP A 45 13.687 -6.565 -6.378 1.00 0.00 C ATOM 0 H TRP A 45 11.626 -12.786 -4.966 1.00 0.00 H new ATOM 0 HA TRP A 45 14.178 -11.636 -4.242 1.00 0.00 H new ATOM 0 HB2 TRP A 45 11.379 -11.281 -3.097 1.00 0.00 H new ATOM 0 HB3 TRP A 45 12.769 -10.290 -2.701 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.202 -10.871 -5.488 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.339 -8.953 -7.218 1.00 0.00 H new ATOM 0 HE3 TRP A 45 14.421 -8.581 -3.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 12.043 -6.773 -7.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 15.247 -6.576 -4.900 1.00 0.00 H new ATOM 0 HH2 TRP A 45 14.070 -5.683 -6.870 1.00 0.00 H new ATOM 691 N HIS A 46 13.460 -14.187 -2.753 1.00 0.00 N ATOM 692 CA HIS A 46 13.728 -15.091 -1.641 1.00 0.00 C ATOM 693 C HIS A 46 15.090 -14.798 -1.019 1.00 0.00 C ATOM 694 O HIS A 46 16.135 -14.959 -1.650 1.00 0.00 O ATOM 695 CB HIS A 46 13.672 -16.544 -2.114 1.00 0.00 C ATOM 696 CG HIS A 46 13.223 -17.502 -1.053 1.00 0.00 C ATOM 697 ND1 HIS A 46 12.766 -17.096 0.183 1.00 0.00 N ATOM 698 CD2 HIS A 46 13.162 -18.854 -1.050 1.00 0.00 C ATOM 699 CE1 HIS A 46 12.444 -18.157 0.901 1.00 0.00 C ATOM 700 NE2 HIS A 46 12.674 -19.237 0.176 1.00 0.00 N ATOM 0 H HIS A 46 13.206 -14.653 -3.624 1.00 0.00 H new ATOM 0 HA HIS A 46 12.961 -14.933 -0.883 1.00 0.00 H new ATOM 0 HB2 HIS A 46 12.995 -16.615 -2.966 1.00 0.00 H new ATOM 0 HB3 HIS A 46 14.660 -16.841 -2.466 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.444 -19.510 -1.860 1.00 0.00 H new ATOM 0 HE1 HIS A 46 12.058 -18.144 1.910 1.00 0.00 H new ATOM 0 HE2 HIS A 46 12.515 -20.198 0.477 1.00 0.00 H new ATOM 708 N PRO A 47 15.080 -14.357 0.247 1.00 0.00 N ATOM 709 CA PRO A 47 16.306 -14.032 0.982 1.00 0.00 C ATOM 710 C PRO A 47 17.127 -15.272 1.317 1.00 0.00 C ATOM 711 O PRO A 47 18.310 -15.176 1.644 1.00 0.00 O ATOM 712 CB PRO A 47 15.788 -13.371 2.262 1.00 0.00 C ATOM 713 CG PRO A 47 14.416 -13.922 2.444 1.00 0.00 C ATOM 714 CD PRO A 47 13.871 -14.142 1.060 1.00 0.00 C ATOM 0 HA PRO A 47 16.974 -13.398 0.399 1.00 0.00 H new ATOM 0 HB2 PRO A 47 16.425 -13.606 3.115 1.00 0.00 H new ATOM 0 HB3 PRO A 47 15.769 -12.285 2.167 1.00 0.00 H new ATOM 0 HG2 PRO A 47 14.442 -14.856 3.006 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.789 -13.229 3.005 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.204 -15.003 1.023 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.300 -13.281 0.711 1.00 0.00 H new ATOM 722 N ASP A 48 16.492 -16.436 1.235 1.00 0.00 N ATOM 723 CA ASP A 48 17.165 -17.697 1.528 1.00 0.00 C ATOM 724 C ASP A 48 18.167 -18.046 0.433 1.00 0.00 C ATOM 725 O ASP A 48 19.260 -18.541 0.710 1.00 0.00 O ATOM 726 CB ASP A 48 16.141 -18.823 1.677 1.00 0.00 C ATOM 727 CG ASP A 48 16.704 -20.024 2.410 1.00 0.00 C ATOM 728 OD1 ASP A 48 17.361 -20.863 1.759 1.00 0.00 O ATOM 729 OD2 ASP A 48 16.489 -20.125 3.636 1.00 0.00 O ATOM 0 H ASP A 48 15.512 -16.533 0.968 1.00 0.00 H new ATOM 0 HA ASP A 48 17.706 -17.582 2.467 1.00 0.00 H new ATOM 0 HB2 ASP A 48 15.270 -18.449 2.214 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.798 -19.132 0.689 1.00 0.00 H new ATOM 734 N LYS A 49 17.788 -17.785 -0.814 1.00 0.00 N ATOM 735 CA LYS A 49 18.653 -18.071 -1.953 1.00 0.00 C ATOM 736 C LYS A 49 19.418 -16.822 -2.382 1.00 0.00 C ATOM 737 O LYS A 49 20.531 -16.912 -2.898 1.00 0.00 O ATOM 738 CB LYS A 49 17.827 -18.604 -3.125 1.00 0.00 C ATOM 739 CG LYS A 49 17.536 -20.092 -3.037 1.00 0.00 C ATOM 740 CD LYS A 49 16.285 -20.463 -3.816 1.00 0.00 C ATOM 741 CE LYS A 49 16.066 -21.968 -3.835 1.00 0.00 C ATOM 742 NZ LYS A 49 14.883 -22.346 -4.658 1.00 0.00 N ATOM 0 H LYS A 49 16.887 -17.376 -1.061 1.00 0.00 H new ATOM 0 HA LYS A 49 19.373 -18.830 -1.649 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.884 -18.060 -3.171 1.00 0.00 H new ATOM 0 HB3 LYS A 49 18.358 -18.401 -4.055 1.00 0.00 H new ATOM 0 HG2 LYS A 49 18.386 -20.653 -3.424 1.00 0.00 H new ATOM 0 HG3 LYS A 49 17.414 -20.379 -1.992 1.00 0.00 H new ATOM 0 HD2 LYS A 49 15.419 -19.974 -3.370 1.00 0.00 H new ATOM 0 HD3 LYS A 49 16.369 -20.093 -4.838 1.00 0.00 H new ATOM 0 HE2 LYS A 49 16.955 -22.459 -4.230 1.00 0.00 H new ATOM 0 HE3 LYS A 49 15.929 -22.328 -2.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.767 -23.379 -4.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.030 -21.898 -4.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 15.024 -22.025 -5.637 1.00 0.00 H new ATOM 756 N ASN A 50 18.813 -15.659 -2.164 1.00 0.00 N ATOM 757 CA ASN A 50 19.438 -14.393 -2.528 1.00 0.00 C ATOM 758 C ASN A 50 20.567 -14.046 -1.562 1.00 0.00 C ATOM 759 O ASN A 50 20.414 -14.154 -0.345 1.00 0.00 O ATOM 760 CB ASN A 50 18.397 -13.271 -2.537 1.00 0.00 C ATOM 761 CG ASN A 50 17.569 -13.260 -3.807 1.00 0.00 C ATOM 762 OD1 ASN A 50 17.175 -14.311 -4.313 1.00 0.00 O ATOM 763 ND2 ASN A 50 17.302 -12.069 -4.329 1.00 0.00 N ATOM 0 H ASN A 50 17.891 -15.567 -1.737 1.00 0.00 H new ATOM 0 HA ASN A 50 19.859 -14.498 -3.528 1.00 0.00 H new ATOM 0 HB2 ASN A 50 17.737 -13.385 -1.677 1.00 0.00 H new ATOM 0 HB3 ASN A 50 18.901 -12.311 -2.427 1.00 0.00 H new ATOM 0 HD21 ASN A 50 16.750 -11.999 -5.184 1.00 0.00 H new ATOM 0 HD22 ASN A 50 17.649 -11.224 -3.875 1.00 0.00 H new ATOM 770 N LYS A 51 21.702 -13.630 -2.113 1.00 0.00 N ATOM 771 CA LYS A 51 22.858 -13.265 -1.303 1.00 0.00 C ATOM 772 C LYS A 51 23.030 -11.750 -1.251 1.00 0.00 C ATOM 773 O LYS A 51 23.488 -11.202 -0.248 1.00 0.00 O ATOM 774 CB LYS A 51 24.125 -13.914 -1.864 1.00 0.00 C ATOM 775 CG LYS A 51 24.203 -15.411 -1.616 1.00 0.00 C ATOM 776 CD LYS A 51 24.446 -15.721 -0.148 1.00 0.00 C ATOM 777 CE LYS A 51 25.002 -17.124 0.040 1.00 0.00 C ATOM 778 NZ LYS A 51 25.340 -17.400 1.464 1.00 0.00 N ATOM 0 H LYS A 51 21.846 -13.537 -3.118 1.00 0.00 H new ATOM 0 HA LYS A 51 22.689 -13.629 -0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 51 24.173 -13.729 -2.937 1.00 0.00 H new ATOM 0 HB3 LYS A 51 24.997 -13.435 -1.418 1.00 0.00 H new ATOM 0 HG2 LYS A 51 23.276 -15.883 -1.940 1.00 0.00 H new ATOM 0 HG3 LYS A 51 25.005 -15.839 -2.217 1.00 0.00 H new ATOM 0 HD2 LYS A 51 25.143 -14.993 0.268 1.00 0.00 H new ATOM 0 HD3 LYS A 51 23.512 -15.621 0.406 1.00 0.00 H new ATOM 0 HE2 LYS A 51 24.271 -17.854 -0.308 1.00 0.00 H new ATOM 0 HE3 LYS A 51 25.893 -17.247 -0.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 25.716 -18.366 1.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 26.056 -16.719 1.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 24.484 -17.308 2.048 1.00 0.00 H new ATOM 792 N ASP A 52 22.660 -11.080 -2.337 1.00 0.00 N ATOM 793 CA ASP A 52 22.772 -9.628 -2.414 1.00 0.00 C ATOM 794 C ASP A 52 22.066 -8.966 -1.235 1.00 0.00 C ATOM 795 O ASP A 52 21.009 -9.408 -0.784 1.00 0.00 O ATOM 796 CB ASP A 52 22.180 -9.119 -3.729 1.00 0.00 C ATOM 797 CG ASP A 52 23.197 -9.103 -4.853 1.00 0.00 C ATOM 798 OD1 ASP A 52 23.962 -10.082 -4.975 1.00 0.00 O ATOM 799 OD2 ASP A 52 23.229 -8.110 -5.611 1.00 0.00 O ATOM 0 H ASP A 52 22.280 -11.519 -3.176 1.00 0.00 H new ATOM 0 HA ASP A 52 23.830 -9.367 -2.375 1.00 0.00 H new ATOM 0 HB2 ASP A 52 21.338 -9.750 -4.014 1.00 0.00 H new ATOM 0 HB3 ASP A 52 21.789 -8.112 -3.582 1.00 0.00 H new ATOM 804 N PRO A 53 22.663 -7.880 -0.721 1.00 0.00 N ATOM 805 CA PRO A 53 22.110 -7.134 0.413 1.00 0.00 C ATOM 806 C PRO A 53 20.837 -6.380 0.045 1.00 0.00 C ATOM 807 O PRO A 53 20.854 -5.494 -0.809 1.00 0.00 O ATOM 808 CB PRO A 53 23.229 -6.152 0.772 1.00 0.00 C ATOM 809 CG PRO A 53 23.998 -5.977 -0.492 1.00 0.00 C ATOM 810 CD PRO A 53 23.925 -7.297 -1.208 1.00 0.00 C ATOM 0 HA PRO A 53 21.823 -7.792 1.233 1.00 0.00 H new ATOM 0 HB2 PRO A 53 22.825 -5.203 1.124 1.00 0.00 H new ATOM 0 HB3 PRO A 53 23.861 -6.545 1.569 1.00 0.00 H new ATOM 0 HG2 PRO A 53 23.572 -5.179 -1.100 1.00 0.00 H new ATOM 0 HG3 PRO A 53 25.032 -5.702 -0.285 1.00 0.00 H new ATOM 0 HD2 PRO A 53 23.916 -7.167 -2.290 1.00 0.00 H new ATOM 0 HD3 PRO A 53 24.779 -7.931 -0.970 1.00 0.00 H new ATOM 818 N GLY A 54 19.734 -6.736 0.696 1.00 0.00 N ATOM 819 CA GLY A 54 18.467 -6.082 0.423 1.00 0.00 C ATOM 820 C GLY A 54 17.363 -7.069 0.101 1.00 0.00 C ATOM 821 O GLY A 54 16.208 -6.862 0.472 1.00 0.00 O ATOM 0 H GLY A 54 19.695 -7.466 1.408 1.00 0.00 H new ATOM 0 HA2 GLY A 54 18.176 -5.485 1.287 1.00 0.00 H new ATOM 0 HA3 GLY A 54 18.590 -5.393 -0.413 1.00 0.00 H new ATOM 825 N ALA A 55 17.717 -8.146 -0.594 1.00 0.00 N ATOM 826 CA ALA A 55 16.747 -9.168 -0.966 1.00 0.00 C ATOM 827 C ALA A 55 15.723 -9.382 0.143 1.00 0.00 C ATOM 828 O ALA A 55 14.537 -9.572 -0.124 1.00 0.00 O ATOM 829 CB ALA A 55 17.456 -10.474 -1.292 1.00 0.00 C ATOM 0 H ALA A 55 18.669 -8.333 -0.910 1.00 0.00 H new ATOM 0 HA ALA A 55 16.216 -8.824 -1.854 1.00 0.00 H new ATOM 0 HB1 ALA A 55 16.720 -11.229 -1.568 1.00 0.00 H new ATOM 0 HB2 ALA A 55 18.144 -10.317 -2.123 1.00 0.00 H new ATOM 0 HB3 ALA A 55 18.013 -10.813 -0.419 1.00 0.00 H new ATOM 835 N GLU A 56 16.189 -9.351 1.388 1.00 0.00 N ATOM 836 CA GLU A 56 15.312 -9.544 2.536 1.00 0.00 C ATOM 837 C GLU A 56 14.238 -8.461 2.588 1.00 0.00 C ATOM 838 O GLU A 56 13.047 -8.747 2.459 1.00 0.00 O ATOM 839 CB GLU A 56 16.124 -9.534 3.833 1.00 0.00 C ATOM 840 CG GLU A 56 15.423 -10.216 4.996 1.00 0.00 C ATOM 841 CD GLU A 56 16.185 -10.079 6.299 1.00 0.00 C ATOM 842 OE1 GLU A 56 16.141 -8.985 6.901 1.00 0.00 O ATOM 843 OE2 GLU A 56 16.826 -11.065 6.718 1.00 0.00 O ATOM 0 H GLU A 56 17.168 -9.194 1.627 1.00 0.00 H new ATOM 0 HA GLU A 56 14.823 -10.512 2.429 1.00 0.00 H new ATOM 0 HB2 GLU A 56 17.080 -10.027 3.657 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.343 -8.502 4.107 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.427 -9.789 5.116 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.291 -11.273 4.766 1.00 0.00 H new ATOM 850 N ASP A 57 14.667 -7.219 2.778 1.00 0.00 N ATOM 851 CA ASP A 57 13.744 -6.093 2.847 1.00 0.00 C ATOM 852 C ASP A 57 12.597 -6.269 1.856 1.00 0.00 C ATOM 853 O ASP A 57 11.431 -6.327 2.245 1.00 0.00 O ATOM 854 CB ASP A 57 14.481 -4.783 2.565 1.00 0.00 C ATOM 855 CG ASP A 57 13.547 -3.680 2.107 1.00 0.00 C ATOM 856 OD1 ASP A 57 12.377 -3.673 2.543 1.00 0.00 O ATOM 857 OD2 ASP A 57 13.987 -2.822 1.313 1.00 0.00 O ATOM 0 H ASP A 57 15.649 -6.966 2.887 1.00 0.00 H new ATOM 0 HA ASP A 57 13.329 -6.057 3.854 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.003 -4.462 3.466 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.239 -4.953 1.801 1.00 0.00 H new ATOM 862 N ARG A 58 12.938 -6.352 0.574 1.00 0.00 N ATOM 863 CA ARG A 58 11.937 -6.520 -0.473 1.00 0.00 C ATOM 864 C ARG A 58 11.005 -7.685 -0.153 1.00 0.00 C ATOM 865 O ARG A 58 9.785 -7.568 -0.268 1.00 0.00 O ATOM 866 CB ARG A 58 12.615 -6.751 -1.824 1.00 0.00 C ATOM 867 CG ARG A 58 11.781 -6.296 -3.010 1.00 0.00 C ATOM 868 CD ARG A 58 11.853 -4.789 -3.197 1.00 0.00 C ATOM 869 NE ARG A 58 11.369 -4.376 -4.511 1.00 0.00 N ATOM 870 CZ ARG A 58 10.081 -4.291 -4.827 1.00 0.00 C ATOM 871 NH1 ARG A 58 9.154 -4.589 -3.927 1.00 0.00 N ATOM 872 NH2 ARG A 58 9.719 -3.908 -6.044 1.00 0.00 N ATOM 0 H ARG A 58 13.899 -6.306 0.236 1.00 0.00 H new ATOM 0 HA ARG A 58 11.344 -5.607 -0.523 1.00 0.00 H new ATOM 0 HB2 ARG A 58 13.568 -6.223 -1.837 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.837 -7.813 -1.933 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.132 -6.793 -3.915 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.744 -6.596 -2.863 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.262 -4.299 -2.423 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.883 -4.457 -3.070 1.00 0.00 H new ATOM 0 HE ARG A 58 12.057 -4.140 -5.226 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.429 -4.884 -2.990 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.166 -4.523 -4.172 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.430 -3.678 -6.739 1.00 0.00 H new ATOM 0 HH22 ARG A 58 8.730 -3.843 -6.285 1.00 0.00 H new ATOM 886 N PHE A 59 11.588 -8.809 0.249 1.00 0.00 N ATOM 887 CA PHE A 59 10.811 -9.997 0.584 1.00 0.00 C ATOM 888 C PHE A 59 9.855 -9.713 1.739 1.00 0.00 C ATOM 889 O PHE A 59 8.756 -10.264 1.798 1.00 0.00 O ATOM 890 CB PHE A 59 11.741 -11.155 0.950 1.00 0.00 C ATOM 891 CG PHE A 59 11.015 -12.375 1.441 1.00 0.00 C ATOM 892 CD1 PHE A 59 10.606 -12.468 2.762 1.00 0.00 C ATOM 893 CD2 PHE A 59 10.742 -13.427 0.583 1.00 0.00 C ATOM 894 CE1 PHE A 59 9.939 -13.590 3.216 1.00 0.00 C ATOM 895 CE2 PHE A 59 10.075 -14.551 1.032 1.00 0.00 C ATOM 896 CZ PHE A 59 9.672 -14.632 2.350 1.00 0.00 C ATOM 0 H PHE A 59 12.597 -8.923 0.351 1.00 0.00 H new ATOM 0 HA PHE A 59 10.224 -10.275 -0.291 1.00 0.00 H new ATOM 0 HB2 PHE A 59 12.336 -11.423 0.077 1.00 0.00 H new ATOM 0 HB3 PHE A 59 12.437 -10.822 1.720 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.811 -11.655 3.443 1.00 0.00 H new ATOM 0 HD2 PHE A 59 11.054 -13.368 -0.449 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.627 -13.652 4.248 1.00 0.00 H new ATOM 0 HE2 PHE A 59 9.869 -15.365 0.353 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.149 -15.508 2.703 1.00 0.00 H new ATOM 906 N ILE A 60 10.283 -8.850 2.654 1.00 0.00 N ATOM 907 CA ILE A 60 9.465 -8.492 3.807 1.00 0.00 C ATOM 908 C ILE A 60 8.119 -7.924 3.371 1.00 0.00 C ATOM 909 O ILE A 60 7.083 -8.241 3.955 1.00 0.00 O ATOM 910 CB ILE A 60 10.178 -7.463 4.705 1.00 0.00 C ATOM 911 CG1 ILE A 60 11.532 -8.006 5.164 1.00 0.00 C ATOM 912 CG2 ILE A 60 9.308 -7.113 5.902 1.00 0.00 C ATOM 913 CD1 ILE A 60 11.533 -9.498 5.412 1.00 0.00 C ATOM 0 H ILE A 60 11.191 -8.386 2.620 1.00 0.00 H new ATOM 0 HA ILE A 60 9.303 -9.408 4.376 1.00 0.00 H new ATOM 0 HB ILE A 60 10.349 -6.555 4.127 1.00 0.00 H new ATOM 0 HG12 ILE A 60 12.283 -7.771 4.410 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.828 -7.494 6.079 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.825 -6.385 6.527 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.366 -6.689 5.555 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.109 -8.014 6.483 1.00 0.00 H new ATOM 0 HD11 ILE A 60 12.526 -9.813 5.735 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.806 -9.738 6.188 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.268 -10.020 4.492 1.00 0.00 H new ATOM 925 N GLN A 61 8.142 -7.085 2.341 1.00 0.00 N ATOM 926 CA GLN A 61 6.923 -6.474 1.826 1.00 0.00 C ATOM 927 C GLN A 61 6.056 -7.506 1.113 1.00 0.00 C ATOM 928 O GLN A 61 4.913 -7.747 1.503 1.00 0.00 O ATOM 929 CB GLN A 61 7.264 -5.329 0.871 1.00 0.00 C ATOM 930 CG GLN A 61 7.397 -3.981 1.560 1.00 0.00 C ATOM 931 CD GLN A 61 8.090 -2.948 0.693 1.00 0.00 C ATOM 932 OE1 GLN A 61 9.316 -2.933 0.585 1.00 0.00 O ATOM 933 NE2 GLN A 61 7.306 -2.077 0.068 1.00 0.00 N ATOM 0 H GLN A 61 8.992 -6.813 1.847 1.00 0.00 H new ATOM 0 HA GLN A 61 6.361 -6.076 2.671 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.198 -5.560 0.359 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.490 -5.262 0.106 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.406 -3.616 1.831 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.956 -4.105 2.488 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.294 -2.126 0.186 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.716 -1.359 -0.530 1.00 0.00 H new ATOM 942 N ILE A 62 6.606 -8.111 0.066 1.00 0.00 N ATOM 943 CA ILE A 62 5.883 -9.118 -0.701 1.00 0.00 C ATOM 944 C ILE A 62 5.046 -10.008 0.211 1.00 0.00 C ATOM 945 O ILE A 62 3.915 -10.363 -0.120 1.00 0.00 O ATOM 946 CB ILE A 62 6.844 -10.001 -1.519 1.00 0.00 C ATOM 947 CG1 ILE A 62 7.621 -9.150 -2.526 1.00 0.00 C ATOM 948 CG2 ILE A 62 6.075 -11.103 -2.231 1.00 0.00 C ATOM 949 CD1 ILE A 62 8.983 -9.712 -2.868 1.00 0.00 C ATOM 0 H ILE A 62 7.550 -7.922 -0.271 1.00 0.00 H new ATOM 0 HA ILE A 62 5.225 -8.581 -1.384 1.00 0.00 H new ATOM 0 HB ILE A 62 7.557 -10.465 -0.837 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.035 -9.058 -3.440 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.743 -8.145 -2.123 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.768 -11.718 -2.805 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.563 -11.723 -1.495 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.342 -10.659 -2.904 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.477 -9.058 -3.587 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.587 -9.778 -1.963 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.868 -10.706 -3.301 1.00 0.00 H new ATOM 961 N SER A 63 5.608 -10.362 1.362 1.00 0.00 N ATOM 962 CA SER A 63 4.914 -11.212 2.322 1.00 0.00 C ATOM 963 C SER A 63 3.812 -10.436 3.037 1.00 0.00 C ATOM 964 O SER A 63 2.727 -10.962 3.285 1.00 0.00 O ATOM 965 CB SER A 63 5.903 -11.775 3.345 1.00 0.00 C ATOM 966 OG SER A 63 5.445 -13.009 3.871 1.00 0.00 O ATOM 0 H SER A 63 6.542 -10.073 1.652 1.00 0.00 H new ATOM 0 HA SER A 63 4.458 -12.038 1.776 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.877 -11.915 2.875 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.040 -11.059 4.155 1.00 0.00 H new ATOM 0 HG SER A 63 6.095 -13.349 4.521 1.00 0.00 H new ATOM 972 N LYS A 64 4.099 -9.181 3.367 1.00 0.00 N ATOM 973 CA LYS A 64 3.134 -8.330 4.053 1.00 0.00 C ATOM 974 C LYS A 64 1.992 -7.941 3.120 1.00 0.00 C ATOM 975 O LYS A 64 0.943 -7.479 3.567 1.00 0.00 O ATOM 976 CB LYS A 64 3.822 -7.071 4.586 1.00 0.00 C ATOM 977 CG LYS A 64 4.659 -7.316 5.830 1.00 0.00 C ATOM 978 CD LYS A 64 4.734 -6.076 6.705 1.00 0.00 C ATOM 979 CE LYS A 64 5.481 -4.948 6.010 1.00 0.00 C ATOM 980 NZ LYS A 64 6.955 -5.150 6.053 1.00 0.00 N ATOM 0 H LYS A 64 4.993 -8.731 3.170 1.00 0.00 H new ATOM 0 HA LYS A 64 2.721 -8.893 4.890 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.460 -6.657 3.805 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.064 -6.320 4.810 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.231 -8.140 6.401 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.665 -7.618 5.539 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.726 -5.746 6.957 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.233 -6.321 7.643 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.154 -4.881 4.972 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.230 -4.000 6.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.408 -4.313 6.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.174 -5.988 6.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.315 -5.290 5.087 1.00 0.00 H new ATOM 994 N ALA A 65 2.203 -8.133 1.821 1.00 0.00 N ATOM 995 CA ALA A 65 1.190 -7.805 0.826 1.00 0.00 C ATOM 996 C ALA A 65 0.231 -8.971 0.615 1.00 0.00 C ATOM 997 O ALA A 65 -0.928 -8.776 0.247 1.00 0.00 O ATOM 998 CB ALA A 65 1.849 -7.416 -0.489 1.00 0.00 C ATOM 0 H ALA A 65 3.066 -8.514 1.434 1.00 0.00 H new ATOM 0 HA ALA A 65 0.614 -6.957 1.196 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.081 -7.174 -1.223 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.488 -6.547 -0.333 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.451 -8.248 -0.855 1.00 0.00 H new ATOM 1004 N TYR A 66 0.720 -10.184 0.849 1.00 0.00 N ATOM 1005 CA TYR A 66 -0.093 -11.382 0.681 1.00 0.00 C ATOM 1006 C TYR A 66 -0.904 -11.671 1.941 1.00 0.00 C ATOM 1007 O TYR A 66 -2.101 -11.949 1.871 1.00 0.00 O ATOM 1008 CB TYR A 66 0.793 -12.583 0.346 1.00 0.00 C ATOM 1009 CG TYR A 66 0.017 -13.810 -0.075 1.00 0.00 C ATOM 1010 CD1 TYR A 66 -1.074 -13.706 -0.930 1.00 0.00 C ATOM 1011 CD2 TYR A 66 0.373 -15.073 0.382 1.00 0.00 C ATOM 1012 CE1 TYR A 66 -1.787 -14.824 -1.317 1.00 0.00 C ATOM 1013 CE2 TYR A 66 -0.333 -16.196 -0.002 1.00 0.00 C ATOM 1014 CZ TYR A 66 -1.412 -16.067 -0.851 1.00 0.00 C ATOM 1015 OH TYR A 66 -2.119 -17.183 -1.234 1.00 0.00 O ATOM 0 H TYR A 66 1.676 -10.363 1.156 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.785 -11.208 -0.143 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.479 -12.305 -0.454 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.401 -12.829 1.216 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.369 -12.735 -1.298 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.216 -15.178 1.049 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.633 -14.725 -1.981 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.042 -17.171 0.361 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.725 -17.978 -0.819 1.00 0.00 H new ATOM 1025 N GLU A 67 -0.243 -11.602 3.092 1.00 0.00 N ATOM 1026 CA GLU A 67 -0.902 -11.855 4.368 1.00 0.00 C ATOM 1027 C GLU A 67 -2.295 -11.233 4.394 1.00 0.00 C ATOM 1028 O GLU A 67 -3.215 -11.770 5.011 1.00 0.00 O ATOM 1029 CB GLU A 67 -0.062 -11.301 5.520 1.00 0.00 C ATOM 1030 CG GLU A 67 -0.145 -9.791 5.663 1.00 0.00 C ATOM 1031 CD GLU A 67 1.008 -9.216 6.463 1.00 0.00 C ATOM 1032 OE1 GLU A 67 1.716 -9.998 7.130 1.00 0.00 O ATOM 1033 OE2 GLU A 67 1.202 -7.983 6.420 1.00 0.00 O ATOM 0 H GLU A 67 0.748 -11.373 3.167 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.003 -12.934 4.488 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.388 -11.764 6.451 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.979 -11.586 5.369 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.157 -9.336 4.672 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.085 -9.527 6.147 1.00 0.00 H new ATOM 1040 N ILE A 68 -2.441 -10.096 3.721 1.00 0.00 N ATOM 1041 CA ILE A 68 -3.720 -9.401 3.666 1.00 0.00 C ATOM 1042 C ILE A 68 -4.710 -10.139 2.771 1.00 0.00 C ATOM 1043 O ILE A 68 -5.844 -10.408 3.171 1.00 0.00 O ATOM 1044 CB ILE A 68 -3.556 -7.959 3.150 1.00 0.00 C ATOM 1045 CG1 ILE A 68 -2.603 -7.176 4.055 1.00 0.00 C ATOM 1046 CG2 ILE A 68 -4.909 -7.267 3.071 1.00 0.00 C ATOM 1047 CD1 ILE A 68 -1.974 -5.978 3.378 1.00 0.00 C ATOM 0 H ILE A 68 -1.689 -9.637 3.207 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.106 -9.372 4.685 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.129 -7.994 2.148 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.147 -6.840 4.938 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.814 -7.843 4.402 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.776 -6.249 2.705 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.559 -7.816 2.390 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.362 -7.240 4.062 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.311 -5.471 4.079 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.402 -6.309 2.511 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.756 -5.290 3.056 1.00 0.00 H new ATOM 1059 N LEU A 69 -4.274 -10.466 1.560 1.00 0.00 N ATOM 1060 CA LEU A 69 -5.120 -11.177 0.608 1.00 0.00 C ATOM 1061 C LEU A 69 -5.224 -12.655 0.969 1.00 0.00 C ATOM 1062 O LEU A 69 -6.317 -13.172 1.203 1.00 0.00 O ATOM 1063 CB LEU A 69 -4.567 -11.024 -0.810 1.00 0.00 C ATOM 1064 CG LEU A 69 -4.189 -9.604 -1.233 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -3.356 -9.630 -2.506 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -5.437 -8.755 -1.428 1.00 0.00 C ATOM 0 H LEU A 69 -3.339 -10.250 1.214 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.118 -10.741 0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.685 -11.657 -0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.309 -11.405 -1.511 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.590 -9.157 -0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.096 -8.611 -2.792 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.444 -10.202 -2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.930 -10.096 -3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.149 -7.748 -1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.062 -9.200 -2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.995 -8.708 -0.493 1.00 0.00 H new ATOM 1078 N SER A 70 -4.080 -13.330 1.013 1.00 0.00 N ATOM 1079 CA SER A 70 -4.042 -14.750 1.344 1.00 0.00 C ATOM 1080 C SER A 70 -5.117 -15.097 2.369 1.00 0.00 C ATOM 1081 O SER A 70 -5.904 -16.021 2.170 1.00 0.00 O ATOM 1082 CB SER A 70 -2.663 -15.132 1.884 1.00 0.00 C ATOM 1083 OG SER A 70 -2.576 -16.527 2.118 1.00 0.00 O ATOM 0 H SER A 70 -3.167 -12.917 0.824 1.00 0.00 H new ATOM 0 HA SER A 70 -4.237 -15.316 0.433 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.894 -14.831 1.173 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.469 -14.592 2.811 1.00 0.00 H new ATOM 0 HG SER A 70 -1.937 -16.925 1.490 1.00 0.00 H new ATOM 1089 N ASN A 71 -5.143 -14.349 3.467 1.00 0.00 N ATOM 1090 CA ASN A 71 -6.120 -14.577 4.525 1.00 0.00 C ATOM 1091 C ASN A 71 -7.518 -14.167 4.072 1.00 0.00 C ATOM 1092 O ASN A 71 -7.708 -13.086 3.516 1.00 0.00 O ATOM 1093 CB ASN A 71 -5.731 -13.799 5.784 1.00 0.00 C ATOM 1094 CG ASN A 71 -4.840 -14.605 6.709 1.00 0.00 C ATOM 1095 OD1 ASN A 71 -3.980 -15.362 6.258 1.00 0.00 O ATOM 1096 ND2 ASN A 71 -5.042 -14.446 8.012 1.00 0.00 N ATOM 0 H ASN A 71 -4.498 -13.579 3.647 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.129 -15.643 4.753 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.217 -12.882 5.497 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.634 -13.504 6.319 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.473 -14.962 8.683 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.766 -13.808 8.342 1.00 0.00 H new ATOM 1103 N GLU A 72 -8.492 -15.038 4.316 1.00 0.00 N ATOM 1104 CA GLU A 72 -9.873 -14.765 3.933 1.00 0.00 C ATOM 1105 C GLU A 72 -10.434 -13.585 4.721 1.00 0.00 C ATOM 1106 O GLU A 72 -11.163 -12.755 4.180 1.00 0.00 O ATOM 1107 CB GLU A 72 -10.742 -16.004 4.160 1.00 0.00 C ATOM 1108 CG GLU A 72 -12.075 -15.954 3.431 1.00 0.00 C ATOM 1109 CD GLU A 72 -12.803 -17.284 3.456 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -12.221 -18.288 2.996 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -13.956 -17.319 3.936 1.00 0.00 O ATOM 0 H GLU A 72 -8.351 -15.937 4.776 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.886 -14.510 2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.193 -16.887 3.835 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.926 -16.118 5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.705 -15.190 3.886 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.908 -15.655 2.396 1.00 0.00 H new ATOM 1118 N GLU A 73 -10.087 -13.519 6.003 1.00 0.00 N ATOM 1119 CA GLU A 73 -10.558 -12.442 6.866 1.00 0.00 C ATOM 1120 C GLU A 73 -9.972 -11.102 6.431 1.00 0.00 C ATOM 1121 O GLU A 73 -10.689 -10.224 5.951 1.00 0.00 O ATOM 1122 CB GLU A 73 -10.185 -12.726 8.322 1.00 0.00 C ATOM 1123 CG GLU A 73 -10.952 -13.888 8.932 1.00 0.00 C ATOM 1124 CD GLU A 73 -10.379 -14.331 10.264 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -9.158 -14.585 10.328 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -11.150 -14.424 11.241 1.00 0.00 O ATOM 0 H GLU A 73 -9.482 -14.198 6.466 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.643 -12.389 6.780 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.117 -12.936 8.380 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.366 -11.830 8.916 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.994 -13.599 9.067 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.942 -14.729 8.239 1.00 0.00 H new ATOM 1133 N LYS A 74 -8.663 -10.951 6.604 1.00 0.00 N ATOM 1134 CA LYS A 74 -7.978 -9.720 6.230 1.00 0.00 C ATOM 1135 C LYS A 74 -8.408 -9.258 4.841 1.00 0.00 C ATOM 1136 O LYS A 74 -8.684 -8.077 4.628 1.00 0.00 O ATOM 1137 CB LYS A 74 -6.462 -9.925 6.264 1.00 0.00 C ATOM 1138 CG LYS A 74 -5.901 -10.091 7.665 1.00 0.00 C ATOM 1139 CD LYS A 74 -4.581 -10.843 7.653 1.00 0.00 C ATOM 1140 CE LYS A 74 -3.402 -9.898 7.485 1.00 0.00 C ATOM 1141 NZ LYS A 74 -3.236 -9.003 8.664 1.00 0.00 N ATOM 0 H LYS A 74 -8.055 -11.667 7.001 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.251 -8.949 6.951 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.210 -10.806 5.674 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.978 -9.073 5.787 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.758 -9.110 8.119 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.620 -10.627 8.284 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.471 -11.402 8.582 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.583 -11.571 6.842 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.490 -10.477 7.338 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.545 -9.295 6.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.245 -8.693 8.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.853 -8.172 8.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.494 -9.518 9.530 1.00 0.00 H new ATOM 1155 N ARG A 75 -8.466 -10.196 3.902 1.00 0.00 N ATOM 1156 CA ARG A 75 -8.863 -9.885 2.534 1.00 0.00 C ATOM 1157 C ARG A 75 -10.243 -9.235 2.504 1.00 0.00 C ATOM 1158 O ARG A 75 -10.407 -8.120 2.006 1.00 0.00 O ATOM 1159 CB ARG A 75 -8.866 -11.153 1.680 1.00 0.00 C ATOM 1160 CG ARG A 75 -9.044 -10.887 0.194 1.00 0.00 C ATOM 1161 CD ARG A 75 -9.450 -12.147 -0.553 1.00 0.00 C ATOM 1162 NE ARG A 75 -10.892 -12.374 -0.503 1.00 0.00 N ATOM 1163 CZ ARG A 75 -11.456 -13.563 -0.682 1.00 0.00 C ATOM 1164 NH1 ARG A 75 -10.704 -14.628 -0.922 1.00 0.00 N ATOM 1165 NH2 ARG A 75 -12.776 -13.689 -0.621 1.00 0.00 N ATOM 0 H ARG A 75 -8.243 -11.178 4.063 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.139 -9.181 2.123 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -7.929 -11.687 1.835 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.667 -11.809 2.021 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.802 -10.117 0.049 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.113 -10.500 -0.221 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -9.131 -12.070 -1.593 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.933 -13.005 -0.124 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.499 -11.575 -0.321 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.689 -14.536 -0.970 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.140 -15.540 -1.059 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.358 -12.872 -0.437 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.208 -14.603 -0.759 1.00 0.00 H new ATOM 1179 N THR A 76 -11.235 -9.940 3.039 1.00 0.00 N ATOM 1180 CA THR A 76 -12.602 -9.433 3.072 1.00 0.00 C ATOM 1181 C THR A 76 -12.670 -8.079 3.769 1.00 0.00 C ATOM 1182 O THR A 76 -13.372 -7.175 3.320 1.00 0.00 O ATOM 1183 CB THR A 76 -13.548 -10.415 3.789 1.00 0.00 C ATOM 1184 OG1 THR A 76 -13.485 -11.701 3.164 1.00 0.00 O ATOM 1185 CG2 THR A 76 -14.980 -9.903 3.764 1.00 0.00 C ATOM 0 H THR A 76 -11.118 -10.864 3.455 1.00 0.00 H new ATOM 0 HA THR A 76 -12.923 -9.322 2.036 1.00 0.00 H new ATOM 0 HB THR A 76 -13.228 -10.500 4.827 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.722 -12.201 3.521 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.629 -10.613 4.276 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.030 -8.937 4.267 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.308 -9.791 2.731 1.00 0.00 H new