USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=14 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 38 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 63 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 36 LYS NZ :NH3+ 140:sc= -0.0316 (180deg=-0.623) USER MOD Set 2.2: A 40 LYS NZ :NH3+ -131:sc=-0.00764 (180deg=0) USER MOD Set 3.1: A 35 LYS NZ :NH3+ 176:sc= 0 (180deg=0) USER MOD Set 3.2: A 39 LYS NZ :NH3+ 137:sc= -0.713 (180deg=-2.92!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.63 K(o=-0.63,f=0.55) USER MOD Single : A 46 HIS : no HD1:sc= -1.03 K(o=-1,f=-7.2!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.204 X(o=-0.2,f=-0.2) USER MOD Single : A 51 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0366) USER MOD Single : A 61 GLN : amide:sc= 0.423! C(o=0.42!,f=-0.86!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.953 USER MOD Single : A 70 SER OG : rot 170:sc= -0.241 USER MOD Single : A 71 ASN : amide:sc= -0.513 K(o=-0.51,f=-6.5!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 75:sc= 0.041 USER MOD ----------------------------------------------------------------- ATOM 191 N ASP A 16 -0.967 2.683 4.005 1.00 0.00 N ATOM 192 CA ASP A 16 0.226 3.301 3.439 1.00 0.00 C ATOM 193 C ASP A 16 0.725 2.515 2.230 1.00 0.00 C ATOM 194 O ASP A 16 1.605 2.971 1.500 1.00 0.00 O ATOM 195 CB ASP A 16 1.329 3.391 4.495 1.00 0.00 C ATOM 196 CG ASP A 16 2.437 4.345 4.094 1.00 0.00 C ATOM 197 OD1 ASP A 16 3.071 4.111 3.044 1.00 0.00 O ATOM 198 OD2 ASP A 16 2.672 5.326 4.832 1.00 0.00 O ATOM 0 HA ASP A 16 -0.037 4.307 3.112 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.897 3.718 5.441 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.750 2.400 4.662 1.00 0.00 H new ATOM 203 N PHE A 17 0.157 1.331 2.026 1.00 0.00 N ATOM 204 CA PHE A 17 0.545 0.480 0.907 1.00 0.00 C ATOM 205 C PHE A 17 -0.564 -0.511 0.568 1.00 0.00 C ATOM 206 O PHE A 17 -1.189 -1.089 1.457 1.00 0.00 O ATOM 207 CB PHE A 17 1.835 -0.274 1.236 1.00 0.00 C ATOM 208 CG PHE A 17 1.616 -1.497 2.079 1.00 0.00 C ATOM 209 CD1 PHE A 17 0.990 -2.615 1.552 1.00 0.00 C ATOM 210 CD2 PHE A 17 2.038 -1.530 3.399 1.00 0.00 C ATOM 211 CE1 PHE A 17 0.786 -3.742 2.327 1.00 0.00 C ATOM 212 CE2 PHE A 17 1.837 -2.654 4.178 1.00 0.00 C ATOM 213 CZ PHE A 17 1.212 -3.762 3.641 1.00 0.00 C ATOM 0 H PHE A 17 -0.573 0.939 2.621 1.00 0.00 H new ATOM 0 HA PHE A 17 0.716 1.118 0.040 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.323 -0.566 0.306 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.517 0.399 1.756 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.658 -2.606 0.524 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.530 -0.667 3.824 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.294 -4.606 1.905 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.169 -2.666 5.206 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.057 -4.642 4.247 1.00 0.00 H new ATOM 223 N ASP A 18 -0.803 -0.702 -0.725 1.00 0.00 N ATOM 224 CA ASP A 18 -1.836 -1.623 -1.184 1.00 0.00 C ATOM 225 C ASP A 18 -1.249 -3.004 -1.459 1.00 0.00 C ATOM 226 O ASP A 18 -0.129 -3.143 -1.951 1.00 0.00 O ATOM 227 CB ASP A 18 -2.509 -1.081 -2.446 1.00 0.00 C ATOM 228 CG ASP A 18 -3.664 -0.149 -2.131 1.00 0.00 C ATOM 229 OD1 ASP A 18 -4.278 -0.308 -1.055 1.00 0.00 O ATOM 230 OD2 ASP A 18 -3.952 0.738 -2.960 1.00 0.00 O ATOM 0 H ASP A 18 -0.295 -0.231 -1.474 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.582 -1.715 -0.395 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.772 -0.551 -3.048 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.872 -1.914 -3.047 1.00 0.00 H new ATOM 235 N PRO A 19 -2.022 -4.051 -1.135 1.00 0.00 N ATOM 236 CA PRO A 19 -1.599 -5.440 -1.338 1.00 0.00 C ATOM 237 C PRO A 19 -1.539 -5.818 -2.814 1.00 0.00 C ATOM 238 O PRO A 19 -0.574 -6.434 -3.268 1.00 0.00 O ATOM 239 CB PRO A 19 -2.684 -6.249 -0.623 1.00 0.00 C ATOM 240 CG PRO A 19 -3.886 -5.369 -0.638 1.00 0.00 C ATOM 241 CD PRO A 19 -3.368 -3.960 -0.544 1.00 0.00 C ATOM 0 HA PRO A 19 -0.593 -5.619 -0.958 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.877 -7.191 -1.135 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.387 -6.495 0.396 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.463 -5.512 -1.551 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.548 -5.598 0.197 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.001 -3.262 -1.092 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.331 -3.614 0.489 1.00 0.00 H new ATOM 249 N TYR A 20 -2.574 -5.445 -3.558 1.00 0.00 N ATOM 250 CA TYR A 20 -2.639 -5.747 -4.983 1.00 0.00 C ATOM 251 C TYR A 20 -1.488 -5.084 -5.733 1.00 0.00 C ATOM 252 O TYR A 20 -0.935 -5.654 -6.673 1.00 0.00 O ATOM 253 CB TYR A 20 -3.976 -5.282 -5.563 1.00 0.00 C ATOM 254 CG TYR A 20 -5.068 -6.323 -5.477 1.00 0.00 C ATOM 255 CD1 TYR A 20 -5.460 -6.848 -4.252 1.00 0.00 C ATOM 256 CD2 TYR A 20 -5.708 -6.783 -6.621 1.00 0.00 C ATOM 257 CE1 TYR A 20 -6.457 -7.800 -4.168 1.00 0.00 C ATOM 258 CE2 TYR A 20 -6.708 -7.734 -6.547 1.00 0.00 C ATOM 259 CZ TYR A 20 -7.078 -8.240 -5.319 1.00 0.00 C ATOM 260 OH TYR A 20 -8.072 -9.188 -5.241 1.00 0.00 O ATOM 0 H TYR A 20 -3.379 -4.933 -3.198 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.554 -6.827 -5.105 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.299 -4.385 -5.035 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.832 -5.004 -6.607 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.976 -6.506 -3.349 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.419 -6.391 -7.585 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.749 -8.198 -3.207 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -7.197 -8.079 -7.446 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.406 -9.387 -6.141 1.00 0.00 H new ATOM 270 N ARG A 21 -1.132 -3.875 -5.310 1.00 0.00 N ATOM 271 CA ARG A 21 -0.048 -3.133 -5.941 1.00 0.00 C ATOM 272 C ARG A 21 1.302 -3.771 -5.627 1.00 0.00 C ATOM 273 O ARG A 21 2.154 -3.911 -6.504 1.00 0.00 O ATOM 274 CB ARG A 21 -0.057 -1.677 -5.472 1.00 0.00 C ATOM 275 CG ARG A 21 -1.358 -0.950 -5.768 1.00 0.00 C ATOM 276 CD ARG A 21 -1.129 0.538 -5.980 1.00 0.00 C ATOM 277 NE ARG A 21 -2.247 1.170 -6.676 1.00 0.00 N ATOM 278 CZ ARG A 21 -2.531 2.465 -6.585 1.00 0.00 C ATOM 279 NH1 ARG A 21 -1.784 3.260 -5.832 1.00 0.00 N ATOM 280 NH2 ARG A 21 -3.565 2.966 -7.249 1.00 0.00 N ATOM 0 H ARG A 21 -1.579 -3.389 -4.533 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.202 -3.161 -7.020 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.129 -1.649 -4.398 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.764 -1.145 -5.952 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.821 -1.378 -6.657 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.055 -1.098 -4.943 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.982 1.023 -5.015 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.214 0.686 -6.554 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.842 0.586 -7.264 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.989 2.878 -5.320 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.005 4.254 -5.764 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.142 2.357 -7.829 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.783 3.960 -7.179 1.00 0.00 H new ATOM 294 N VAL A 22 1.491 -4.156 -4.368 1.00 0.00 N ATOM 295 CA VAL A 22 2.737 -4.780 -3.938 1.00 0.00 C ATOM 296 C VAL A 22 3.006 -6.063 -4.716 1.00 0.00 C ATOM 297 O VAL A 22 4.056 -6.214 -5.341 1.00 0.00 O ATOM 298 CB VAL A 22 2.713 -5.101 -2.432 1.00 0.00 C ATOM 299 CG1 VAL A 22 3.976 -5.843 -2.024 1.00 0.00 C ATOM 300 CG2 VAL A 22 2.547 -3.826 -1.618 1.00 0.00 C ATOM 0 H VAL A 22 0.797 -4.047 -3.628 1.00 0.00 H new ATOM 0 HA VAL A 22 3.535 -4.064 -4.137 1.00 0.00 H new ATOM 0 HB VAL A 22 1.859 -5.748 -2.230 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.941 -6.061 -0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.046 -6.776 -2.583 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.847 -5.224 -2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.532 -4.072 -0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.379 -3.152 -1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.611 -3.339 -1.891 1.00 0.00 H new ATOM 310 N LEU A 23 2.051 -6.985 -4.673 1.00 0.00 N ATOM 311 CA LEU A 23 2.184 -8.257 -5.375 1.00 0.00 C ATOM 312 C LEU A 23 2.261 -8.042 -6.883 1.00 0.00 C ATOM 313 O LEU A 23 2.940 -8.783 -7.592 1.00 0.00 O ATOM 314 CB LEU A 23 1.006 -9.173 -5.039 1.00 0.00 C ATOM 315 CG LEU A 23 1.072 -9.884 -3.687 1.00 0.00 C ATOM 316 CD1 LEU A 23 -0.209 -10.663 -3.430 1.00 0.00 C ATOM 317 CD2 LEU A 23 2.281 -10.806 -3.628 1.00 0.00 C ATOM 0 H LEU A 23 1.176 -6.876 -4.160 1.00 0.00 H new ATOM 0 HA LEU A 23 3.110 -8.730 -5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.091 -8.581 -5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.925 -9.928 -5.821 1.00 0.00 H new ATOM 0 HG LEU A 23 1.177 -9.130 -2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.143 -11.162 -2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.057 -9.978 -3.428 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.346 -11.407 -4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.312 -11.304 -2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.207 -11.554 -4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.191 -10.222 -3.765 1.00 0.00 H new ATOM 329 N GLY A 24 1.562 -7.019 -7.367 1.00 0.00 N ATOM 330 CA GLY A 24 1.567 -6.723 -8.787 1.00 0.00 C ATOM 331 C GLY A 24 0.459 -7.440 -9.533 1.00 0.00 C ATOM 332 O GLY A 24 0.694 -8.039 -10.582 1.00 0.00 O ATOM 0 H GLY A 24 0.993 -6.390 -6.800 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.461 -5.648 -8.931 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.530 -7.008 -9.211 1.00 0.00 H new ATOM 336 N VAL A 25 -0.752 -7.380 -8.989 1.00 0.00 N ATOM 337 CA VAL A 25 -1.901 -8.029 -9.610 1.00 0.00 C ATOM 338 C VAL A 25 -3.088 -7.076 -9.700 1.00 0.00 C ATOM 339 O VAL A 25 -3.106 -6.027 -9.056 1.00 0.00 O ATOM 340 CB VAL A 25 -2.325 -9.286 -8.828 1.00 0.00 C ATOM 341 CG1 VAL A 25 -1.384 -10.443 -9.126 1.00 0.00 C ATOM 342 CG2 VAL A 25 -2.370 -8.996 -7.336 1.00 0.00 C ATOM 0 H VAL A 25 -0.963 -6.889 -8.120 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.595 -8.320 -10.615 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.327 -9.571 -9.149 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.699 -11.322 -8.565 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.408 -10.666 -10.193 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.369 -10.171 -8.835 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.672 -9.896 -6.799 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.382 -8.684 -6.996 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.088 -8.200 -7.142 1.00 0.00 H new ATOM 352 N SER A 26 -4.079 -7.448 -10.503 1.00 0.00 N ATOM 353 CA SER A 26 -5.270 -6.625 -10.681 1.00 0.00 C ATOM 354 C SER A 26 -6.490 -7.292 -10.053 1.00 0.00 C ATOM 355 O SER A 26 -6.401 -8.399 -9.521 1.00 0.00 O ATOM 356 CB SER A 26 -5.522 -6.370 -12.168 1.00 0.00 C ATOM 357 OG SER A 26 -6.157 -5.120 -12.370 1.00 0.00 O ATOM 0 H SER A 26 -4.081 -8.314 -11.041 1.00 0.00 H new ATOM 0 HA SER A 26 -5.101 -5.672 -10.180 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.576 -6.393 -12.710 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.143 -7.167 -12.577 1.00 0.00 H new ATOM 0 HG SER A 26 -6.306 -4.980 -13.328 1.00 0.00 H new ATOM 363 N ARG A 27 -7.629 -6.611 -10.120 1.00 0.00 N ATOM 364 CA ARG A 27 -8.868 -7.135 -9.558 1.00 0.00 C ATOM 365 C ARG A 27 -9.208 -8.493 -10.165 1.00 0.00 C ATOM 366 O ARG A 27 -9.809 -9.346 -9.511 1.00 0.00 O ATOM 367 CB ARG A 27 -10.017 -6.155 -9.798 1.00 0.00 C ATOM 368 CG ARG A 27 -10.219 -5.799 -11.262 1.00 0.00 C ATOM 369 CD ARG A 27 -11.478 -4.972 -11.465 1.00 0.00 C ATOM 370 NE ARG A 27 -11.607 -4.501 -12.842 1.00 0.00 N ATOM 371 CZ ARG A 27 -12.758 -4.117 -13.383 1.00 0.00 C ATOM 372 NH1 ARG A 27 -13.873 -4.146 -12.666 1.00 0.00 N ATOM 373 NH2 ARG A 27 -12.795 -3.701 -14.642 1.00 0.00 N ATOM 0 H ARG A 27 -7.720 -5.694 -10.558 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.726 -7.261 -8.485 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.939 -6.586 -9.407 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -9.828 -5.242 -9.234 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -9.355 -5.243 -11.625 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -10.282 -6.712 -11.854 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -12.351 -5.570 -11.203 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -11.463 -4.117 -10.789 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.767 -4.465 -13.420 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -13.848 -4.464 -11.697 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -14.756 -3.851 -13.083 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.939 -3.676 -15.196 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -13.679 -3.407 -15.056 1.00 0.00 H new ATOM 387 N THR A 28 -8.820 -8.688 -11.422 1.00 0.00 N ATOM 388 CA THR A 28 -9.085 -9.940 -12.118 1.00 0.00 C ATOM 389 C THR A 28 -8.324 -11.096 -11.479 1.00 0.00 C ATOM 390 O THR A 28 -8.699 -12.258 -11.633 1.00 0.00 O ATOM 391 CB THR A 28 -8.700 -9.847 -13.607 1.00 0.00 C ATOM 392 OG1 THR A 28 -9.220 -10.976 -14.319 1.00 0.00 O ATOM 393 CG2 THR A 28 -7.188 -9.790 -13.772 1.00 0.00 C ATOM 0 H THR A 28 -8.321 -7.994 -11.978 1.00 0.00 H new ATOM 0 HA THR A 28 -10.156 -10.126 -12.038 1.00 0.00 H new ATOM 0 HB THR A 28 -9.129 -8.932 -14.014 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.972 -10.909 -15.265 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.940 -9.725 -14.831 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.798 -8.914 -13.253 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.742 -10.690 -13.350 1.00 0.00 H new ATOM 401 N ALA A 29 -7.254 -10.770 -10.761 1.00 0.00 N ATOM 402 CA ALA A 29 -6.443 -11.781 -10.097 1.00 0.00 C ATOM 403 C ALA A 29 -7.225 -12.467 -8.982 1.00 0.00 C ATOM 404 O ALA A 29 -7.831 -11.807 -8.139 1.00 0.00 O ATOM 405 CB ALA A 29 -5.170 -11.157 -9.544 1.00 0.00 C ATOM 0 H ALA A 29 -6.929 -9.813 -10.625 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.174 -12.537 -10.835 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.573 -11.924 -9.050 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.595 -10.719 -10.360 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.428 -10.380 -8.825 1.00 0.00 H new ATOM 411 N SER A 30 -7.208 -13.796 -8.984 1.00 0.00 N ATOM 412 CA SER A 30 -7.920 -14.572 -7.975 1.00 0.00 C ATOM 413 C SER A 30 -6.941 -15.320 -7.075 1.00 0.00 C ATOM 414 O SER A 30 -5.737 -15.337 -7.329 1.00 0.00 O ATOM 415 CB SER A 30 -8.875 -15.563 -8.643 1.00 0.00 C ATOM 416 OG SER A 30 -8.190 -16.382 -9.575 1.00 0.00 O ATOM 0 H SER A 30 -6.709 -14.358 -9.673 1.00 0.00 H new ATOM 0 HA SER A 30 -8.497 -13.881 -7.361 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.346 -16.187 -7.884 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.673 -15.019 -9.149 1.00 0.00 H new ATOM 0 HG SER A 30 -8.822 -17.008 -9.987 1.00 0.00 H new ATOM 422 N GLN A 31 -7.468 -15.937 -6.022 1.00 0.00 N ATOM 423 CA GLN A 31 -6.642 -16.686 -5.083 1.00 0.00 C ATOM 424 C GLN A 31 -5.515 -17.413 -5.810 1.00 0.00 C ATOM 425 O GLN A 31 -4.384 -17.463 -5.328 1.00 0.00 O ATOM 426 CB GLN A 31 -7.496 -17.691 -4.308 1.00 0.00 C ATOM 427 CG GLN A 31 -8.511 -17.040 -3.382 1.00 0.00 C ATOM 428 CD GLN A 31 -7.859 -16.317 -2.219 1.00 0.00 C ATOM 429 OE1 GLN A 31 -7.740 -16.863 -1.122 1.00 0.00 O ATOM 430 NE2 GLN A 31 -7.434 -15.081 -2.454 1.00 0.00 N ATOM 0 H GLN A 31 -8.463 -15.933 -5.798 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.201 -15.978 -4.381 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.021 -18.331 -5.016 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.841 -18.335 -3.721 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.116 -16.334 -3.951 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.188 -17.803 -2.997 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.553 -14.668 -3.379 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.988 -14.545 -1.710 1.00 0.00 H new ATOM 439 N ALA A 32 -5.832 -17.975 -6.972 1.00 0.00 N ATOM 440 CA ALA A 32 -4.846 -18.697 -7.765 1.00 0.00 C ATOM 441 C ALA A 32 -3.737 -17.766 -8.243 1.00 0.00 C ATOM 442 O ALA A 32 -2.575 -17.925 -7.869 1.00 0.00 O ATOM 443 CB ALA A 32 -5.517 -19.375 -8.951 1.00 0.00 C ATOM 0 H ALA A 32 -6.764 -17.944 -7.385 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.395 -19.461 -7.131 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.769 -19.911 -9.535 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.268 -20.078 -8.591 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.995 -18.622 -9.578 1.00 0.00 H new ATOM 449 N ASP A 33 -4.103 -16.795 -9.072 1.00 0.00 N ATOM 450 CA ASP A 33 -3.139 -15.837 -9.602 1.00 0.00 C ATOM 451 C ASP A 33 -2.320 -15.213 -8.477 1.00 0.00 C ATOM 452 O ASP A 33 -1.098 -15.096 -8.577 1.00 0.00 O ATOM 453 CB ASP A 33 -3.857 -14.744 -10.394 1.00 0.00 C ATOM 454 CG ASP A 33 -2.893 -13.758 -11.024 1.00 0.00 C ATOM 455 OD1 ASP A 33 -1.774 -13.601 -10.492 1.00 0.00 O ATOM 456 OD2 ASP A 33 -3.258 -13.142 -12.048 1.00 0.00 O ATOM 0 H ASP A 33 -5.061 -16.650 -9.392 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.461 -16.371 -10.268 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.464 -15.204 -11.174 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.539 -14.209 -9.733 1.00 0.00 H new ATOM 461 N ILE A 34 -3.000 -14.813 -7.408 1.00 0.00 N ATOM 462 CA ILE A 34 -2.335 -14.201 -6.264 1.00 0.00 C ATOM 463 C ILE A 34 -1.309 -15.149 -5.653 1.00 0.00 C ATOM 464 O ILE A 34 -0.107 -14.888 -5.688 1.00 0.00 O ATOM 465 CB ILE A 34 -3.347 -13.787 -5.180 1.00 0.00 C ATOM 466 CG1 ILE A 34 -4.387 -12.828 -5.761 1.00 0.00 C ATOM 467 CG2 ILE A 34 -2.628 -13.147 -4.001 1.00 0.00 C ATOM 468 CD1 ILE A 34 -5.533 -12.536 -4.818 1.00 0.00 C ATOM 0 H ILE A 34 -4.011 -14.902 -7.310 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.827 -13.310 -6.633 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.862 -14.680 -4.825 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.897 -11.891 -6.026 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.785 -13.252 -6.683 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.357 -12.860 -3.243 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.923 -13.860 -3.574 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.089 -12.262 -4.340 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.232 -11.849 -5.296 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.048 -13.465 -4.572 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.147 -12.083 -3.905 1.00 0.00 H new ATOM 480 N LYS A 35 -1.793 -16.252 -5.092 1.00 0.00 N ATOM 481 CA LYS A 35 -0.919 -17.243 -4.474 1.00 0.00 C ATOM 482 C LYS A 35 0.250 -17.585 -5.392 1.00 0.00 C ATOM 483 O LYS A 35 1.379 -17.768 -4.936 1.00 0.00 O ATOM 484 CB LYS A 35 -1.708 -18.511 -4.141 1.00 0.00 C ATOM 485 CG LYS A 35 -0.855 -19.620 -3.549 1.00 0.00 C ATOM 486 CD LYS A 35 -0.296 -20.531 -4.630 1.00 0.00 C ATOM 487 CE LYS A 35 -1.294 -21.611 -5.019 1.00 0.00 C ATOM 488 NZ LYS A 35 -1.282 -22.749 -4.058 1.00 0.00 N ATOM 0 H LYS A 35 -2.786 -16.482 -5.052 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.522 -16.817 -3.553 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.502 -18.260 -3.438 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.189 -18.878 -5.048 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.034 -19.184 -2.979 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.452 -20.206 -2.851 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.038 -19.939 -5.508 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.625 -20.995 -4.276 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.295 -21.182 -5.062 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.061 -21.977 -6.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.022 -23.432 -4.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.354 -23.217 -4.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.462 -22.394 -3.097 1.00 0.00 H new ATOM 502 N LYS A 36 -0.027 -17.670 -6.689 1.00 0.00 N ATOM 503 CA LYS A 36 1.001 -17.988 -7.673 1.00 0.00 C ATOM 504 C LYS A 36 1.990 -16.835 -7.818 1.00 0.00 C ATOM 505 O LYS A 36 3.196 -17.050 -7.932 1.00 0.00 O ATOM 506 CB LYS A 36 0.362 -18.299 -9.028 1.00 0.00 C ATOM 507 CG LYS A 36 1.317 -18.151 -10.199 1.00 0.00 C ATOM 508 CD LYS A 36 0.639 -18.488 -11.517 1.00 0.00 C ATOM 509 CE LYS A 36 1.650 -18.906 -12.573 1.00 0.00 C ATOM 510 NZ LYS A 36 2.406 -17.740 -13.109 1.00 0.00 N ATOM 0 H LYS A 36 -0.956 -17.523 -7.083 1.00 0.00 H new ATOM 0 HA LYS A 36 1.543 -18.867 -7.324 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.025 -19.318 -9.012 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.490 -17.636 -9.179 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.696 -17.129 -10.234 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.177 -18.805 -10.053 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.080 -19.292 -11.362 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.079 -17.623 -11.871 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.348 -19.625 -12.143 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.134 -19.411 -13.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.404 -18.003 -13.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.001 -17.454 -14.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.342 -16.947 -12.439 1.00 0.00 H new ATOM 524 N ALA A 37 1.470 -15.612 -7.812 1.00 0.00 N ATOM 525 CA ALA A 37 2.307 -14.425 -7.940 1.00 0.00 C ATOM 526 C ALA A 37 3.182 -14.235 -6.705 1.00 0.00 C ATOM 527 O ALA A 37 4.343 -13.841 -6.809 1.00 0.00 O ATOM 528 CB ALA A 37 1.445 -13.194 -8.173 1.00 0.00 C ATOM 0 H ALA A 37 0.473 -15.417 -7.720 1.00 0.00 H new ATOM 0 HA ALA A 37 2.962 -14.564 -8.800 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.083 -12.315 -8.267 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.867 -13.322 -9.088 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.766 -13.061 -7.331 1.00 0.00 H new ATOM 534 N TYR A 38 2.616 -14.516 -5.536 1.00 0.00 N ATOM 535 CA TYR A 38 3.343 -14.373 -4.281 1.00 0.00 C ATOM 536 C TYR A 38 4.569 -15.281 -4.254 1.00 0.00 C ATOM 537 O TYR A 38 5.701 -14.813 -4.137 1.00 0.00 O ATOM 538 CB TYR A 38 2.429 -14.696 -3.098 1.00 0.00 C ATOM 539 CG TYR A 38 3.168 -15.224 -1.889 1.00 0.00 C ATOM 540 CD1 TYR A 38 3.765 -14.358 -0.981 1.00 0.00 C ATOM 541 CD2 TYR A 38 3.267 -16.590 -1.653 1.00 0.00 C ATOM 542 CE1 TYR A 38 4.441 -14.837 0.124 1.00 0.00 C ATOM 543 CE2 TYR A 38 3.940 -17.078 -0.550 1.00 0.00 C ATOM 544 CZ TYR A 38 4.526 -16.197 0.336 1.00 0.00 C ATOM 545 OH TYR A 38 5.197 -16.678 1.436 1.00 0.00 O ATOM 0 H TYR A 38 1.656 -14.844 -5.432 1.00 0.00 H new ATOM 0 HA TYR A 38 3.678 -13.339 -4.201 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.883 -13.796 -2.815 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.689 -15.433 -3.412 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.699 -13.292 -1.142 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.810 -17.282 -2.344 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.901 -14.150 0.819 1.00 0.00 H new ATOM 0 HE2 TYR A 38 4.007 -18.143 -0.382 1.00 0.00 H new ATOM 0 HH TYR A 38 5.162 -17.657 1.438 1.00 0.00 H new ATOM 555 N LYS A 39 4.333 -16.584 -4.365 1.00 0.00 N ATOM 556 CA LYS A 39 5.415 -17.561 -4.356 1.00 0.00 C ATOM 557 C LYS A 39 6.532 -17.145 -5.308 1.00 0.00 C ATOM 558 O LYS A 39 7.678 -16.965 -4.896 1.00 0.00 O ATOM 559 CB LYS A 39 4.886 -18.943 -4.747 1.00 0.00 C ATOM 560 CG LYS A 39 4.414 -19.770 -3.564 1.00 0.00 C ATOM 561 CD LYS A 39 3.433 -20.848 -3.994 1.00 0.00 C ATOM 562 CE LYS A 39 3.096 -21.786 -2.844 1.00 0.00 C ATOM 563 NZ LYS A 39 1.979 -22.709 -3.190 1.00 0.00 N ATOM 0 H LYS A 39 3.401 -16.988 -4.462 1.00 0.00 H new ATOM 0 HA LYS A 39 5.821 -17.607 -3.345 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.060 -18.822 -5.448 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.671 -19.488 -5.271 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.272 -20.232 -3.076 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.941 -19.119 -2.829 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.520 -20.383 -4.365 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.858 -21.420 -4.819 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.979 -22.368 -2.579 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.825 -21.201 -1.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.204 -23.667 -2.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.103 -22.380 -2.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.849 -22.725 -4.222 1.00 0.00 H new ATOM 577 N LYS A 40 6.190 -16.992 -6.583 1.00 0.00 N ATOM 578 CA LYS A 40 7.163 -16.594 -7.593 1.00 0.00 C ATOM 579 C LYS A 40 7.977 -15.394 -7.122 1.00 0.00 C ATOM 580 O LYS A 40 9.203 -15.376 -7.242 1.00 0.00 O ATOM 581 CB LYS A 40 6.454 -16.258 -8.908 1.00 0.00 C ATOM 582 CG LYS A 40 5.706 -17.434 -9.513 1.00 0.00 C ATOM 583 CD LYS A 40 4.616 -16.970 -10.464 1.00 0.00 C ATOM 584 CE LYS A 40 5.195 -16.505 -11.791 1.00 0.00 C ATOM 585 NZ LYS A 40 4.362 -15.441 -12.418 1.00 0.00 N ATOM 0 H LYS A 40 5.246 -17.138 -6.941 1.00 0.00 H new ATOM 0 HA LYS A 40 7.843 -17.430 -7.756 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.752 -15.442 -8.735 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.190 -15.898 -9.627 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.406 -18.077 -10.046 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.265 -18.034 -8.717 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.913 -17.784 -10.638 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.054 -16.156 -10.006 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.206 -16.129 -11.634 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.272 -17.354 -12.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.182 -15.683 -13.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.457 -15.365 -11.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.865 -14.532 -12.368 1.00 0.00 H new ATOM 599 N LEU A 41 7.290 -14.393 -6.584 1.00 0.00 N ATOM 600 CA LEU A 41 7.950 -13.188 -6.092 1.00 0.00 C ATOM 601 C LEU A 41 8.891 -13.516 -4.937 1.00 0.00 C ATOM 602 O LEU A 41 10.002 -12.992 -4.861 1.00 0.00 O ATOM 603 CB LEU A 41 6.910 -12.160 -5.642 1.00 0.00 C ATOM 604 CG LEU A 41 6.401 -11.204 -6.722 1.00 0.00 C ATOM 605 CD1 LEU A 41 4.975 -10.771 -6.421 1.00 0.00 C ATOM 606 CD2 LEU A 41 7.315 -9.993 -6.835 1.00 0.00 C ATOM 0 H LEU A 41 6.276 -14.391 -6.477 1.00 0.00 H new ATOM 0 HA LEU A 41 8.538 -12.767 -6.907 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.056 -12.695 -5.226 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.339 -11.568 -4.834 1.00 0.00 H new ATOM 0 HG LEU A 41 6.406 -11.729 -7.677 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.629 -10.091 -7.200 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.327 -11.647 -6.390 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.945 -10.264 -5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.938 -9.323 -7.608 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.342 -9.467 -5.881 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.321 -10.320 -7.097 1.00 0.00 H new ATOM 618 N ALA A 42 8.439 -14.387 -4.041 1.00 0.00 N ATOM 619 CA ALA A 42 9.241 -14.788 -2.893 1.00 0.00 C ATOM 620 C ALA A 42 10.480 -15.562 -3.332 1.00 0.00 C ATOM 621 O ALA A 42 11.569 -15.367 -2.792 1.00 0.00 O ATOM 622 CB ALA A 42 8.408 -15.623 -1.932 1.00 0.00 C ATOM 0 H ALA A 42 7.521 -14.829 -4.089 1.00 0.00 H new ATOM 0 HA ALA A 42 9.571 -13.885 -2.379 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.021 -15.915 -1.079 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.557 -15.037 -1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.048 -16.516 -2.443 1.00 0.00 H new ATOM 628 N ARG A 43 10.305 -16.441 -4.313 1.00 0.00 N ATOM 629 CA ARG A 43 11.409 -17.246 -4.823 1.00 0.00 C ATOM 630 C ARG A 43 12.439 -16.370 -5.530 1.00 0.00 C ATOM 631 O ARG A 43 13.644 -16.538 -5.341 1.00 0.00 O ATOM 632 CB ARG A 43 10.887 -18.315 -5.785 1.00 0.00 C ATOM 633 CG ARG A 43 10.309 -19.534 -5.085 1.00 0.00 C ATOM 634 CD ARG A 43 10.154 -20.705 -6.043 1.00 0.00 C ATOM 635 NE ARG A 43 9.724 -21.921 -5.357 1.00 0.00 N ATOM 636 CZ ARG A 43 9.943 -23.145 -5.824 1.00 0.00 C ATOM 637 NH1 ARG A 43 10.582 -23.315 -6.973 1.00 0.00 N ATOM 638 NH2 ARG A 43 9.522 -24.202 -5.142 1.00 0.00 N ATOM 0 H ARG A 43 9.410 -16.614 -4.771 1.00 0.00 H new ATOM 0 HA ARG A 43 11.892 -17.734 -3.976 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.120 -17.875 -6.422 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.700 -18.633 -6.438 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.958 -19.822 -4.258 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.339 -19.283 -4.656 1.00 0.00 H new ATOM 0 HD2 ARG A 43 9.428 -20.448 -6.815 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.103 -20.889 -6.547 1.00 0.00 H new ATOM 0 HE ARG A 43 9.228 -21.825 -4.471 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.907 -22.505 -7.501 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.749 -24.256 -7.329 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.029 -24.075 -4.258 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.691 -25.141 -5.502 1.00 0.00 H new ATOM 652 N GLU A 44 11.957 -15.437 -6.344 1.00 0.00 N ATOM 653 CA GLU A 44 12.837 -14.536 -7.079 1.00 0.00 C ATOM 654 C GLU A 44 13.487 -13.524 -6.140 1.00 0.00 C ATOM 655 O GLU A 44 14.710 -13.390 -6.106 1.00 0.00 O ATOM 656 CB GLU A 44 12.056 -13.805 -8.173 1.00 0.00 C ATOM 657 CG GLU A 44 12.028 -14.546 -9.500 1.00 0.00 C ATOM 658 CD GLU A 44 13.339 -14.441 -10.254 1.00 0.00 C ATOM 659 OE1 GLU A 44 13.980 -13.371 -10.183 1.00 0.00 O ATOM 660 OE2 GLU A 44 13.725 -15.428 -10.914 1.00 0.00 O ATOM 0 H GLU A 44 10.962 -15.285 -6.511 1.00 0.00 H new ATOM 0 HA GLU A 44 13.623 -15.134 -7.541 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.032 -13.647 -7.833 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.497 -12.820 -8.326 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.799 -15.597 -9.321 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.224 -14.146 -10.118 1.00 0.00 H new ATOM 667 N TRP A 45 12.660 -12.814 -5.382 1.00 0.00 N ATOM 668 CA TRP A 45 13.154 -11.813 -4.443 1.00 0.00 C ATOM 669 C TRP A 45 13.591 -12.463 -3.134 1.00 0.00 C ATOM 670 O TRP A 45 13.738 -11.789 -2.114 1.00 0.00 O ATOM 671 CB TRP A 45 12.075 -10.763 -4.170 1.00 0.00 C ATOM 672 CG TRP A 45 11.676 -9.991 -5.391 1.00 0.00 C ATOM 673 CD1 TRP A 45 10.833 -10.404 -6.383 1.00 0.00 C ATOM 674 CD2 TRP A 45 12.105 -8.673 -5.749 1.00 0.00 C ATOM 675 NE1 TRP A 45 10.712 -9.422 -7.336 1.00 0.00 N ATOM 676 CE2 TRP A 45 11.482 -8.350 -6.970 1.00 0.00 C ATOM 677 CE3 TRP A 45 12.953 -7.733 -5.156 1.00 0.00 C ATOM 678 CZ2 TRP A 45 11.682 -7.128 -7.607 1.00 0.00 C ATOM 679 CZ3 TRP A 45 13.151 -6.522 -5.790 1.00 0.00 C ATOM 680 CH2 TRP A 45 12.518 -6.227 -7.005 1.00 0.00 C ATOM 0 H TRP A 45 11.645 -12.912 -5.399 1.00 0.00 H new ATOM 0 HA TRP A 45 14.020 -11.326 -4.892 1.00 0.00 H new ATOM 0 HB2 TRP A 45 11.195 -11.256 -3.757 1.00 0.00 H new ATOM 0 HB3 TRP A 45 12.437 -10.069 -3.412 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.335 -11.362 -6.414 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.141 -9.482 -8.179 1.00 0.00 H new ATOM 0 HE3 TRP A 45 13.444 -7.950 -4.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 11.195 -6.899 -8.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 13.805 -5.789 -5.341 1.00 0.00 H new ATOM 0 HH2 TRP A 45 12.693 -5.271 -7.475 1.00 0.00 H new ATOM 691 N HIS A 46 13.797 -13.775 -3.170 1.00 0.00 N ATOM 692 CA HIS A 46 14.218 -14.516 -1.986 1.00 0.00 C ATOM 693 C HIS A 46 15.575 -14.023 -1.492 1.00 0.00 C ATOM 694 O HIS A 46 16.522 -13.861 -2.261 1.00 0.00 O ATOM 695 CB HIS A 46 14.287 -16.012 -2.292 1.00 0.00 C ATOM 696 CG HIS A 46 13.998 -16.880 -1.106 1.00 0.00 C ATOM 697 ND1 HIS A 46 14.907 -17.093 -0.091 1.00 0.00 N ATOM 698 CD2 HIS A 46 12.894 -17.589 -0.775 1.00 0.00 C ATOM 699 CE1 HIS A 46 14.375 -17.896 0.812 1.00 0.00 C ATOM 700 NE2 HIS A 46 13.153 -18.212 0.421 1.00 0.00 N ATOM 0 H HIS A 46 13.679 -14.347 -4.006 1.00 0.00 H new ATOM 0 HA HIS A 46 13.481 -14.347 -1.201 1.00 0.00 H new ATOM 0 HB2 HIS A 46 13.576 -16.245 -3.085 1.00 0.00 H new ATOM 0 HB3 HIS A 46 15.280 -16.251 -2.674 1.00 0.00 H new ATOM 0 HD2 HIS A 46 11.979 -17.653 -1.345 1.00 0.00 H new ATOM 0 HE1 HIS A 46 14.857 -18.237 1.717 1.00 0.00 H new ATOM 0 HE2 HIS A 46 12.507 -18.820 0.925 1.00 0.00 H new ATOM 708 N PRO A 47 15.673 -13.777 -0.177 1.00 0.00 N ATOM 709 CA PRO A 47 16.909 -13.299 0.450 1.00 0.00 C ATOM 710 C PRO A 47 17.999 -14.365 0.468 1.00 0.00 C ATOM 711 O PRO A 47 19.189 -14.050 0.435 1.00 0.00 O ATOM 712 CB PRO A 47 16.473 -12.955 1.876 1.00 0.00 C ATOM 713 CG PRO A 47 15.281 -13.813 2.126 1.00 0.00 C ATOM 714 CD PRO A 47 14.584 -13.948 0.800 1.00 0.00 C ATOM 0 HA PRO A 47 17.343 -12.459 -0.092 1.00 0.00 H new ATOM 0 HB2 PRO A 47 17.267 -13.162 2.593 1.00 0.00 H new ATOM 0 HB3 PRO A 47 16.226 -11.897 1.970 1.00 0.00 H new ATOM 0 HG2 PRO A 47 15.576 -14.788 2.513 1.00 0.00 H new ATOM 0 HG3 PRO A 47 14.623 -13.361 2.869 1.00 0.00 H new ATOM 0 HD2 PRO A 47 14.101 -14.920 0.697 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.809 -13.192 0.674 1.00 0.00 H new ATOM 722 N ASP A 48 17.586 -15.627 0.520 1.00 0.00 N ATOM 723 CA ASP A 48 18.528 -16.740 0.541 1.00 0.00 C ATOM 724 C ASP A 48 19.341 -16.788 -0.749 1.00 0.00 C ATOM 725 O ASP A 48 20.524 -17.126 -0.738 1.00 0.00 O ATOM 726 CB ASP A 48 17.785 -18.061 0.741 1.00 0.00 C ATOM 727 CG ASP A 48 18.688 -19.161 1.263 1.00 0.00 C ATOM 728 OD1 ASP A 48 19.203 -19.018 2.392 1.00 0.00 O ATOM 729 OD2 ASP A 48 18.881 -20.163 0.544 1.00 0.00 O ATOM 0 H ASP A 48 16.605 -15.905 0.548 1.00 0.00 H new ATOM 0 HA ASP A 48 19.213 -16.589 1.375 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.962 -17.909 1.439 1.00 0.00 H new ATOM 0 HB3 ASP A 48 17.346 -18.374 -0.206 1.00 0.00 H new ATOM 734 N LYS A 49 18.697 -16.449 -1.861 1.00 0.00 N ATOM 735 CA LYS A 49 19.358 -16.453 -3.160 1.00 0.00 C ATOM 736 C LYS A 49 19.869 -15.061 -3.515 1.00 0.00 C ATOM 737 O LYS A 49 20.870 -14.917 -4.215 1.00 0.00 O ATOM 738 CB LYS A 49 18.397 -16.947 -4.243 1.00 0.00 C ATOM 739 CG LYS A 49 18.193 -18.452 -4.236 1.00 0.00 C ATOM 740 CD LYS A 49 17.662 -18.949 -5.570 1.00 0.00 C ATOM 741 CE LYS A 49 18.788 -19.184 -6.566 1.00 0.00 C ATOM 742 NZ LYS A 49 18.438 -20.234 -7.562 1.00 0.00 N ATOM 0 H LYS A 49 17.717 -16.168 -1.888 1.00 0.00 H new ATOM 0 HA LYS A 49 20.210 -17.130 -3.103 1.00 0.00 H new ATOM 0 HB2 LYS A 49 17.432 -16.458 -4.111 1.00 0.00 H new ATOM 0 HB3 LYS A 49 18.777 -16.645 -5.219 1.00 0.00 H new ATOM 0 HG2 LYS A 49 19.138 -18.947 -4.012 1.00 0.00 H new ATOM 0 HG3 LYS A 49 17.496 -18.722 -3.443 1.00 0.00 H new ATOM 0 HD2 LYS A 49 17.108 -19.876 -5.420 1.00 0.00 H new ATOM 0 HD3 LYS A 49 16.960 -18.221 -5.977 1.00 0.00 H new ATOM 0 HE2 LYS A 49 19.014 -18.252 -7.085 1.00 0.00 H new ATOM 0 HE3 LYS A 49 19.691 -19.478 -6.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 19.231 -20.364 -8.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 18.247 -21.130 -7.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 17.591 -19.942 -8.091 1.00 0.00 H new ATOM 756 N ASN A 50 19.175 -14.038 -3.026 1.00 0.00 N ATOM 757 CA ASN A 50 19.560 -12.657 -3.291 1.00 0.00 C ATOM 758 C ASN A 50 20.736 -12.241 -2.412 1.00 0.00 C ATOM 759 O ASN A 50 20.728 -12.462 -1.201 1.00 0.00 O ATOM 760 CB ASN A 50 18.374 -11.720 -3.052 1.00 0.00 C ATOM 761 CG ASN A 50 17.396 -11.718 -4.211 1.00 0.00 C ATOM 762 OD1 ASN A 50 17.023 -12.773 -4.725 1.00 0.00 O ATOM 763 ND2 ASN A 50 16.975 -10.530 -4.628 1.00 0.00 N ATOM 0 H ASN A 50 18.343 -14.140 -2.444 1.00 0.00 H new ATOM 0 HA ASN A 50 19.867 -12.586 -4.335 1.00 0.00 H new ATOM 0 HB2 ASN A 50 17.854 -12.021 -2.142 1.00 0.00 H new ATOM 0 HB3 ASN A 50 18.742 -10.707 -2.889 1.00 0.00 H new ATOM 0 HD21 ASN A 50 16.316 -10.466 -5.404 1.00 0.00 H new ATOM 0 HD22 ASN A 50 17.311 -9.681 -4.172 1.00 0.00 H new ATOM 770 N LYS A 51 21.745 -11.637 -3.030 1.00 0.00 N ATOM 771 CA LYS A 51 22.928 -11.188 -2.306 1.00 0.00 C ATOM 772 C LYS A 51 22.872 -9.685 -2.052 1.00 0.00 C ATOM 773 O LYS A 51 23.367 -9.199 -1.035 1.00 0.00 O ATOM 774 CB LYS A 51 24.195 -11.537 -3.090 1.00 0.00 C ATOM 775 CG LYS A 51 24.539 -13.016 -3.062 1.00 0.00 C ATOM 776 CD LYS A 51 25.083 -13.437 -1.707 1.00 0.00 C ATOM 777 CE LYS A 51 25.344 -14.934 -1.652 1.00 0.00 C ATOM 778 NZ LYS A 51 24.078 -15.716 -1.600 1.00 0.00 N ATOM 0 H LYS A 51 21.767 -11.447 -4.032 1.00 0.00 H new ATOM 0 HA LYS A 51 22.951 -11.701 -1.344 1.00 0.00 H new ATOM 0 HB2 LYS A 51 24.070 -11.221 -4.126 1.00 0.00 H new ATOM 0 HB3 LYS A 51 25.032 -10.970 -2.683 1.00 0.00 H new ATOM 0 HG2 LYS A 51 23.650 -13.602 -3.296 1.00 0.00 H new ATOM 0 HG3 LYS A 51 25.276 -13.234 -3.835 1.00 0.00 H new ATOM 0 HD2 LYS A 51 26.008 -12.898 -1.501 1.00 0.00 H new ATOM 0 HD3 LYS A 51 24.373 -13.161 -0.927 1.00 0.00 H new ATOM 0 HE2 LYS A 51 25.921 -15.234 -2.527 1.00 0.00 H new ATOM 0 HE3 LYS A 51 25.950 -15.165 -0.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 24.297 -16.721 -1.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 23.485 -15.366 -0.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 23.566 -15.609 -2.499 1.00 0.00 H new ATOM 792 N ASP A 52 22.266 -8.955 -2.982 1.00 0.00 N ATOM 793 CA ASP A 52 22.143 -7.507 -2.857 1.00 0.00 C ATOM 794 C ASP A 52 21.461 -7.130 -1.546 1.00 0.00 C ATOM 795 O ASP A 52 20.421 -7.679 -1.179 1.00 0.00 O ATOM 796 CB ASP A 52 21.357 -6.937 -4.039 1.00 0.00 C ATOM 797 CG ASP A 52 22.178 -6.892 -5.312 1.00 0.00 C ATOM 798 OD1 ASP A 52 23.002 -7.806 -5.519 1.00 0.00 O ATOM 799 OD2 ASP A 52 21.996 -5.941 -6.102 1.00 0.00 O ATOM 0 H ASP A 52 21.852 -9.342 -3.830 1.00 0.00 H new ATOM 0 HA ASP A 52 23.146 -7.080 -2.858 1.00 0.00 H new ATOM 0 HB2 ASP A 52 20.467 -7.543 -4.206 1.00 0.00 H new ATOM 0 HB3 ASP A 52 21.017 -5.931 -3.794 1.00 0.00 H new ATOM 804 N PRO A 53 22.057 -6.173 -0.821 1.00 0.00 N ATOM 805 CA PRO A 53 21.524 -5.701 0.460 1.00 0.00 C ATOM 806 C PRO A 53 20.233 -4.908 0.294 1.00 0.00 C ATOM 807 O PRO A 53 20.217 -3.857 -0.345 1.00 0.00 O ATOM 808 CB PRO A 53 22.639 -4.802 0.999 1.00 0.00 C ATOM 809 CG PRO A 53 23.374 -4.342 -0.212 1.00 0.00 C ATOM 810 CD PRO A 53 23.299 -5.475 -1.198 1.00 0.00 C ATOM 0 HA PRO A 53 21.266 -6.527 1.123 1.00 0.00 H new ATOM 0 HB2 PRO A 53 22.232 -3.960 1.559 1.00 0.00 H new ATOM 0 HB3 PRO A 53 23.295 -5.348 1.677 1.00 0.00 H new ATOM 0 HG2 PRO A 53 22.924 -3.438 -0.622 1.00 0.00 H new ATOM 0 HG3 PRO A 53 24.410 -4.102 0.028 1.00 0.00 H new ATOM 0 HD2 PRO A 53 23.260 -5.112 -2.225 1.00 0.00 H new ATOM 0 HD3 PRO A 53 24.167 -6.130 -1.124 1.00 0.00 H new ATOM 818 N GLY A 54 19.151 -5.418 0.875 1.00 0.00 N ATOM 819 CA GLY A 54 17.870 -4.743 0.780 1.00 0.00 C ATOM 820 C GLY A 54 16.759 -5.669 0.326 1.00 0.00 C ATOM 821 O GLY A 54 15.633 -5.585 0.815 1.00 0.00 O ATOM 0 H GLY A 54 19.139 -6.287 1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 54 17.613 -4.321 1.751 1.00 0.00 H new ATOM 0 HA3 GLY A 54 17.953 -3.910 0.082 1.00 0.00 H new ATOM 825 N ALA A 55 17.075 -6.555 -0.612 1.00 0.00 N ATOM 826 CA ALA A 55 16.095 -7.501 -1.131 1.00 0.00 C ATOM 827 C ALA A 55 15.161 -7.985 -0.028 1.00 0.00 C ATOM 828 O ALA A 55 13.960 -8.143 -0.244 1.00 0.00 O ATOM 829 CB ALA A 55 16.797 -8.682 -1.786 1.00 0.00 C ATOM 0 H ALA A 55 18.002 -6.638 -1.028 1.00 0.00 H new ATOM 0 HA ALA A 55 15.493 -6.988 -1.881 1.00 0.00 H new ATOM 0 HB1 ALA A 55 16.053 -9.381 -2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 55 17.418 -8.326 -2.608 1.00 0.00 H new ATOM 0 HB3 ALA A 55 17.423 -9.186 -1.050 1.00 0.00 H new ATOM 835 N GLU A 56 15.721 -8.218 1.156 1.00 0.00 N ATOM 836 CA GLU A 56 14.936 -8.685 2.292 1.00 0.00 C ATOM 837 C GLU A 56 13.733 -7.777 2.533 1.00 0.00 C ATOM 838 O GLU A 56 12.604 -8.248 2.671 1.00 0.00 O ATOM 839 CB GLU A 56 15.805 -8.744 3.550 1.00 0.00 C ATOM 840 CG GLU A 56 15.056 -9.215 4.786 1.00 0.00 C ATOM 841 CD GLU A 56 15.986 -9.650 5.901 1.00 0.00 C ATOM 842 OE1 GLU A 56 16.931 -10.417 5.620 1.00 0.00 O ATOM 843 OE2 GLU A 56 15.770 -9.224 7.055 1.00 0.00 O ATOM 0 H GLU A 56 16.714 -8.091 1.352 1.00 0.00 H new ATOM 0 HA GLU A 56 14.572 -9.687 2.063 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.647 -9.412 3.369 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.219 -7.754 3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.415 -8.411 5.146 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.404 -10.046 4.517 1.00 0.00 H new ATOM 850 N ASP A 57 13.985 -6.474 2.584 1.00 0.00 N ATOM 851 CA ASP A 57 12.924 -5.499 2.807 1.00 0.00 C ATOM 852 C ASP A 57 11.704 -5.815 1.947 1.00 0.00 C ATOM 853 O ASP A 57 10.603 -6.009 2.461 1.00 0.00 O ATOM 854 CB ASP A 57 13.426 -4.087 2.502 1.00 0.00 C ATOM 855 CG ASP A 57 12.305 -3.146 2.106 1.00 0.00 C ATOM 856 OD1 ASP A 57 11.296 -3.085 2.838 1.00 0.00 O ATOM 857 OD2 ASP A 57 12.438 -2.471 1.064 1.00 0.00 O ATOM 0 H ASP A 57 14.914 -6.068 2.474 1.00 0.00 H new ATOM 0 HA ASP A 57 12.631 -5.553 3.855 1.00 0.00 H new ATOM 0 HB2 ASP A 57 13.937 -3.689 3.379 1.00 0.00 H new ATOM 0 HB3 ASP A 57 14.160 -4.132 1.698 1.00 0.00 H new ATOM 862 N ARG A 58 11.909 -5.865 0.635 1.00 0.00 N ATOM 863 CA ARG A 58 10.826 -6.156 -0.297 1.00 0.00 C ATOM 864 C ARG A 58 10.179 -7.500 0.024 1.00 0.00 C ATOM 865 O ARG A 58 8.955 -7.608 0.103 1.00 0.00 O ATOM 866 CB ARG A 58 11.349 -6.160 -1.735 1.00 0.00 C ATOM 867 CG ARG A 58 10.254 -6.043 -2.782 1.00 0.00 C ATOM 868 CD ARG A 58 9.653 -4.646 -2.806 1.00 0.00 C ATOM 869 NE ARG A 58 8.325 -4.632 -3.413 1.00 0.00 N ATOM 870 CZ ARG A 58 8.116 -4.545 -4.722 1.00 0.00 C ATOM 871 NH1 ARG A 58 9.143 -4.466 -5.557 1.00 0.00 N ATOM 872 NH2 ARG A 58 6.877 -4.539 -5.198 1.00 0.00 N ATOM 0 H ARG A 58 12.815 -5.708 0.193 1.00 0.00 H new ATOM 0 HA ARG A 58 10.072 -5.375 -0.194 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.049 -5.334 -1.860 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.907 -7.080 -1.907 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.661 -6.282 -3.764 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.472 -6.773 -2.575 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.590 -4.261 -1.788 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.312 -3.977 -3.360 1.00 0.00 H new ATOM 0 HE ARG A 58 7.513 -4.692 -2.798 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.096 -4.472 -5.195 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.980 -4.399 -6.562 1.00 0.00 H new ATOM 0 HH21 ARG A 58 6.085 -4.601 -4.559 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.717 -4.472 -6.203 1.00 0.00 H new ATOM 886 N PHE A 59 11.008 -8.521 0.207 1.00 0.00 N ATOM 887 CA PHE A 59 10.517 -9.859 0.518 1.00 0.00 C ATOM 888 C PHE A 59 9.476 -9.810 1.632 1.00 0.00 C ATOM 889 O PHE A 59 8.429 -10.454 1.546 1.00 0.00 O ATOM 890 CB PHE A 59 11.677 -10.769 0.928 1.00 0.00 C ATOM 891 CG PHE A 59 11.236 -12.121 1.410 1.00 0.00 C ATOM 892 CD1 PHE A 59 10.893 -13.116 0.509 1.00 0.00 C ATOM 893 CD2 PHE A 59 11.164 -12.397 2.766 1.00 0.00 C ATOM 894 CE1 PHE A 59 10.488 -14.361 0.950 1.00 0.00 C ATOM 895 CE2 PHE A 59 10.759 -13.641 3.213 1.00 0.00 C ATOM 896 CZ PHE A 59 10.419 -14.624 2.304 1.00 0.00 C ATOM 0 H PHE A 59 12.024 -8.448 0.145 1.00 0.00 H new ATOM 0 HA PHE A 59 10.047 -10.264 -0.378 1.00 0.00 H new ATOM 0 HB2 PHE A 59 12.347 -10.896 0.078 1.00 0.00 H new ATOM 0 HB3 PHE A 59 12.251 -10.281 1.716 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.943 -12.916 -0.551 1.00 0.00 H new ATOM 0 HD2 PHE A 59 11.427 -11.632 3.481 1.00 0.00 H new ATOM 0 HE1 PHE A 59 10.226 -15.128 0.236 1.00 0.00 H new ATOM 0 HE2 PHE A 59 10.708 -13.844 4.273 1.00 0.00 H new ATOM 0 HZ PHE A 59 10.100 -15.596 2.651 1.00 0.00 H new ATOM 906 N ILE A 60 9.770 -9.044 2.676 1.00 0.00 N ATOM 907 CA ILE A 60 8.860 -8.911 3.807 1.00 0.00 C ATOM 908 C ILE A 60 7.516 -8.340 3.367 1.00 0.00 C ATOM 909 O ILE A 60 6.462 -8.868 3.719 1.00 0.00 O ATOM 910 CB ILE A 60 9.454 -8.007 4.904 1.00 0.00 C ATOM 911 CG1 ILE A 60 10.783 -8.579 5.402 1.00 0.00 C ATOM 912 CG2 ILE A 60 8.471 -7.857 6.056 1.00 0.00 C ATOM 913 CD1 ILE A 60 11.675 -7.550 6.060 1.00 0.00 C ATOM 0 H ILE A 60 10.632 -8.505 2.763 1.00 0.00 H new ATOM 0 HA ILE A 60 8.712 -9.912 4.212 1.00 0.00 H new ATOM 0 HB ILE A 60 9.641 -7.020 4.480 1.00 0.00 H new ATOM 0 HG12 ILE A 60 10.581 -9.380 6.113 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.315 -9.025 4.562 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.905 -7.216 6.823 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.547 -7.410 5.690 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.257 -8.837 6.481 1.00 0.00 H new ATOM 0 HD11 ILE A 60 12.599 -8.026 6.388 1.00 0.00 H new ATOM 0 HD12 ILE A 60 11.908 -6.760 5.346 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.162 -7.121 6.921 1.00 0.00 H new ATOM 925 N GLN A 61 7.563 -7.261 2.593 1.00 0.00 N ATOM 926 CA GLN A 61 6.348 -6.619 2.103 1.00 0.00 C ATOM 927 C GLN A 61 5.541 -7.576 1.232 1.00 0.00 C ATOM 928 O GLN A 61 4.327 -7.704 1.394 1.00 0.00 O ATOM 929 CB GLN A 61 6.696 -5.359 1.310 1.00 0.00 C ATOM 930 CG GLN A 61 6.761 -4.102 2.163 1.00 0.00 C ATOM 931 CD GLN A 61 5.612 -4.005 3.147 1.00 0.00 C ATOM 932 OE1 GLN A 61 5.782 -4.247 4.343 1.00 0.00 O ATOM 933 NE2 GLN A 61 4.434 -3.649 2.650 1.00 0.00 N ATOM 0 H GLN A 61 8.428 -6.813 2.292 1.00 0.00 H new ATOM 0 HA GLN A 61 5.741 -6.341 2.965 1.00 0.00 H new ATOM 0 HB2 GLN A 61 7.657 -5.504 0.817 1.00 0.00 H new ATOM 0 HB3 GLN A 61 5.953 -5.217 0.525 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.704 -4.086 2.709 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.754 -3.226 1.514 1.00 0.00 H new ATOM 0 HE21 GLN A 61 4.338 -3.458 1.653 1.00 0.00 H new ATOM 0 HE22 GLN A 61 3.625 -3.567 3.265 1.00 0.00 H new ATOM 942 N ILE A 62 6.222 -8.245 0.308 1.00 0.00 N ATOM 943 CA ILE A 62 5.568 -9.191 -0.588 1.00 0.00 C ATOM 944 C ILE A 62 4.693 -10.168 0.189 1.00 0.00 C ATOM 945 O ILE A 62 3.541 -10.408 -0.173 1.00 0.00 O ATOM 946 CB ILE A 62 6.595 -9.985 -1.416 1.00 0.00 C ATOM 947 CG1 ILE A 62 7.391 -9.043 -2.322 1.00 0.00 C ATOM 948 CG2 ILE A 62 5.897 -11.057 -2.239 1.00 0.00 C ATOM 949 CD1 ILE A 62 8.652 -9.664 -2.880 1.00 0.00 C ATOM 0 H ILE A 62 7.227 -8.150 0.160 1.00 0.00 H new ATOM 0 HA ILE A 62 4.944 -8.606 -1.264 1.00 0.00 H new ATOM 0 HB ILE A 62 7.290 -10.474 -0.733 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.756 -8.724 -3.149 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.655 -8.148 -1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.636 -11.610 -2.819 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.372 -11.742 -1.574 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.182 -10.589 -2.915 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.165 -8.940 -3.513 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.307 -9.957 -2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.394 -10.543 -3.471 1.00 0.00 H new ATOM 961 N SER A 63 5.247 -10.729 1.259 1.00 0.00 N ATOM 962 CA SER A 63 4.517 -11.682 2.087 1.00 0.00 C ATOM 963 C SER A 63 3.399 -10.988 2.859 1.00 0.00 C ATOM 964 O SER A 63 2.271 -11.478 2.916 1.00 0.00 O ATOM 965 CB SER A 63 5.469 -12.377 3.062 1.00 0.00 C ATOM 966 OG SER A 63 4.939 -13.617 3.496 1.00 0.00 O ATOM 0 H SER A 63 6.199 -10.540 1.573 1.00 0.00 H new ATOM 0 HA SER A 63 4.072 -12.429 1.430 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.433 -12.539 2.580 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.647 -11.733 3.923 1.00 0.00 H new ATOM 0 HG SER A 63 5.567 -14.042 4.117 1.00 0.00 H new ATOM 972 N LYS A 64 3.720 -9.842 3.451 1.00 0.00 N ATOM 973 CA LYS A 64 2.745 -9.078 4.219 1.00 0.00 C ATOM 974 C LYS A 64 1.602 -8.602 3.327 1.00 0.00 C ATOM 975 O LYS A 64 0.504 -8.323 3.806 1.00 0.00 O ATOM 976 CB LYS A 64 3.419 -7.877 4.886 1.00 0.00 C ATOM 977 CG LYS A 64 4.487 -8.261 5.895 1.00 0.00 C ATOM 978 CD LYS A 64 3.903 -8.428 7.288 1.00 0.00 C ATOM 979 CE LYS A 64 4.976 -8.794 8.302 1.00 0.00 C ATOM 980 NZ LYS A 64 4.449 -8.789 9.694 1.00 0.00 N ATOM 0 H LYS A 64 4.649 -9.422 3.413 1.00 0.00 H new ATOM 0 HA LYS A 64 2.334 -9.731 4.989 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.868 -7.249 4.116 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.659 -7.276 5.385 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.964 -9.191 5.585 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.263 -7.496 5.914 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.414 -7.502 7.592 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.137 -9.203 7.272 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.375 -9.781 8.068 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.804 -8.089 8.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.211 -9.043 10.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.092 -7.840 9.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.676 -9.480 9.775 1.00 0.00 H new ATOM 994 N ALA A 65 1.869 -8.514 2.028 1.00 0.00 N ATOM 995 CA ALA A 65 0.862 -8.075 1.070 1.00 0.00 C ATOM 996 C ALA A 65 -0.053 -9.228 0.669 1.00 0.00 C ATOM 997 O ALA A 65 -1.244 -9.032 0.427 1.00 0.00 O ATOM 998 CB ALA A 65 1.529 -7.477 -0.160 1.00 0.00 C ATOM 0 H ALA A 65 2.774 -8.741 1.615 1.00 0.00 H new ATOM 0 HA ALA A 65 0.251 -7.309 1.548 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.765 -7.153 -0.867 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.136 -6.621 0.135 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.164 -8.227 -0.630 1.00 0.00 H new ATOM 1004 N TYR A 66 0.511 -10.428 0.601 1.00 0.00 N ATOM 1005 CA TYR A 66 -0.253 -11.612 0.227 1.00 0.00 C ATOM 1006 C TYR A 66 -1.082 -12.120 1.403 1.00 0.00 C ATOM 1007 O TYR A 66 -2.280 -12.368 1.270 1.00 0.00 O ATOM 1008 CB TYR A 66 0.684 -12.716 -0.266 1.00 0.00 C ATOM 1009 CG TYR A 66 -0.019 -14.024 -0.553 1.00 0.00 C ATOM 1010 CD1 TYR A 66 -1.189 -14.056 -1.302 1.00 0.00 C ATOM 1011 CD2 TYR A 66 0.487 -15.226 -0.075 1.00 0.00 C ATOM 1012 CE1 TYR A 66 -1.835 -15.248 -1.566 1.00 0.00 C ATOM 1013 CE2 TYR A 66 -0.152 -16.423 -0.336 1.00 0.00 C ATOM 1014 CZ TYR A 66 -1.312 -16.429 -1.081 1.00 0.00 C ATOM 1015 OH TYR A 66 -1.952 -17.619 -1.342 1.00 0.00 O ATOM 0 H TYR A 66 1.495 -10.607 0.800 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.932 -11.335 -0.579 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.186 -12.377 -1.172 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.458 -12.886 0.483 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.600 -13.133 -1.684 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.395 -15.225 0.510 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.744 -15.256 -2.149 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.255 -17.349 0.042 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.454 -18.356 -0.930 1.00 0.00 H new ATOM 1025 N GLU A 67 -0.434 -12.271 2.553 1.00 0.00 N ATOM 1026 CA GLU A 67 -1.110 -12.749 3.753 1.00 0.00 C ATOM 1027 C GLU A 67 -2.476 -12.087 3.909 1.00 0.00 C ATOM 1028 O GLU A 67 -3.435 -12.716 4.356 1.00 0.00 O ATOM 1029 CB GLU A 67 -0.254 -12.475 4.992 1.00 0.00 C ATOM 1030 CG GLU A 67 -0.333 -11.038 5.480 1.00 0.00 C ATOM 1031 CD GLU A 67 0.783 -10.688 6.445 1.00 0.00 C ATOM 1032 OE1 GLU A 67 1.842 -11.349 6.391 1.00 0.00 O ATOM 1033 OE2 GLU A 67 0.598 -9.755 7.253 1.00 0.00 O ATOM 0 H GLU A 67 0.558 -12.069 2.679 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.256 -13.824 3.652 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.569 -13.141 5.796 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.785 -12.717 4.767 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.293 -10.365 4.624 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.294 -10.876 5.968 1.00 0.00 H new ATOM 1040 N ILE A 68 -2.555 -10.814 3.537 1.00 0.00 N ATOM 1041 CA ILE A 68 -3.802 -10.066 3.634 1.00 0.00 C ATOM 1042 C ILE A 68 -4.858 -10.632 2.690 1.00 0.00 C ATOM 1043 O ILE A 68 -5.944 -11.024 3.119 1.00 0.00 O ATOM 1044 CB ILE A 68 -3.591 -8.574 3.315 1.00 0.00 C ATOM 1045 CG1 ILE A 68 -2.638 -7.942 4.332 1.00 0.00 C ATOM 1046 CG2 ILE A 68 -4.924 -7.841 3.303 1.00 0.00 C ATOM 1047 CD1 ILE A 68 -2.053 -6.625 3.874 1.00 0.00 C ATOM 0 H ILE A 68 -1.770 -10.279 3.166 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.148 -10.163 4.663 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.143 -8.489 2.325 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.171 -7.787 5.270 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.826 -8.639 4.539 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.758 -6.788 3.076 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.573 -8.278 2.544 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.398 -7.931 4.281 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.387 -6.235 4.644 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.491 -6.777 2.952 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.858 -5.912 3.695 1.00 0.00 H new ATOM 1059 N LEU A 69 -4.531 -10.674 1.403 1.00 0.00 N ATOM 1060 CA LEU A 69 -5.450 -11.194 0.397 1.00 0.00 C ATOM 1061 C LEU A 69 -5.697 -12.685 0.605 1.00 0.00 C ATOM 1062 O LEU A 69 -6.837 -13.116 0.783 1.00 0.00 O ATOM 1063 CB LEU A 69 -4.893 -10.949 -1.006 1.00 0.00 C ATOM 1064 CG LEU A 69 -4.346 -9.546 -1.276 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -3.796 -9.451 -2.690 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -5.427 -8.500 -1.050 1.00 0.00 C ATOM 0 H LEU A 69 -3.636 -10.354 1.032 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.399 -10.669 0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.096 -11.669 -1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.682 -11.155 -1.729 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.531 -9.353 -0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.411 -8.446 -2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.991 -10.175 -2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.591 -9.664 -3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.020 -7.508 -1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.263 -8.689 -1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.773 -8.552 -0.018 1.00 0.00 H new ATOM 1078 N SER A 70 -4.623 -13.467 0.582 1.00 0.00 N ATOM 1079 CA SER A 70 -4.724 -14.910 0.767 1.00 0.00 C ATOM 1080 C SER A 70 -5.838 -15.255 1.749 1.00 0.00 C ATOM 1081 O SER A 70 -6.682 -16.107 1.473 1.00 0.00 O ATOM 1082 CB SER A 70 -3.393 -15.475 1.268 1.00 0.00 C ATOM 1083 OG SER A 70 -3.165 -15.119 2.620 1.00 0.00 O ATOM 0 H SER A 70 -3.673 -13.126 0.437 1.00 0.00 H new ATOM 0 HA SER A 70 -4.962 -15.360 -0.197 1.00 0.00 H new ATOM 0 HB2 SER A 70 -3.395 -16.561 1.170 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.579 -15.100 0.648 1.00 0.00 H new ATOM 0 HG SER A 70 -2.396 -15.620 2.965 1.00 0.00 H new ATOM 1089 N ASN A 71 -5.834 -14.587 2.898 1.00 0.00 N ATOM 1090 CA ASN A 71 -6.845 -14.823 3.923 1.00 0.00 C ATOM 1091 C ASN A 71 -8.143 -14.097 3.585 1.00 0.00 C ATOM 1092 O ASN A 71 -8.135 -12.910 3.260 1.00 0.00 O ATOM 1093 CB ASN A 71 -6.332 -14.364 5.289 1.00 0.00 C ATOM 1094 CG ASN A 71 -7.170 -14.902 6.433 1.00 0.00 C ATOM 1095 OD1 ASN A 71 -8.388 -15.033 6.316 1.00 0.00 O ATOM 1096 ND2 ASN A 71 -6.519 -15.217 7.546 1.00 0.00 N ATOM 0 H ASN A 71 -5.142 -13.878 3.143 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.047 -15.893 3.959 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.299 -14.690 5.414 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.329 -13.275 5.326 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.030 -15.584 8.349 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.508 -15.092 7.598 1.00 0.00 H new ATOM 1103 N GLU A 72 -9.256 -14.819 3.663 1.00 0.00 N ATOM 1104 CA GLU A 72 -10.562 -14.243 3.365 1.00 0.00 C ATOM 1105 C GLU A 72 -10.859 -13.062 4.284 1.00 0.00 C ATOM 1106 O GLU A 72 -11.166 -11.964 3.821 1.00 0.00 O ATOM 1107 CB GLU A 72 -11.657 -15.303 3.509 1.00 0.00 C ATOM 1108 CG GLU A 72 -12.968 -14.917 2.846 1.00 0.00 C ATOM 1109 CD GLU A 72 -12.837 -14.753 1.344 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -11.895 -15.334 0.765 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -13.675 -14.045 0.748 1.00 0.00 O ATOM 0 H GLU A 72 -9.280 -15.803 3.930 1.00 0.00 H new ATOM 0 HA GLU A 72 -10.546 -13.885 2.336 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.303 -16.240 3.078 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.836 -15.487 4.568 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.717 -15.679 3.060 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.329 -13.984 3.279 1.00 0.00 H new ATOM 1118 N GLU A 73 -10.765 -13.297 5.590 1.00 0.00 N ATOM 1119 CA GLU A 73 -11.025 -12.253 6.574 1.00 0.00 C ATOM 1120 C GLU A 73 -10.254 -10.981 6.234 1.00 0.00 C ATOM 1121 O GLU A 73 -10.843 -9.960 5.878 1.00 0.00 O ATOM 1122 CB GLU A 73 -10.642 -12.735 7.975 1.00 0.00 C ATOM 1123 CG GLU A 73 -11.682 -13.641 8.612 1.00 0.00 C ATOM 1124 CD GLU A 73 -11.078 -14.616 9.604 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -10.701 -14.179 10.711 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -10.983 -15.816 9.272 1.00 0.00 O ATOM 0 H GLU A 73 -10.511 -14.200 5.990 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.091 -12.028 6.554 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.693 -13.268 7.920 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.484 -11.869 8.618 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.429 -13.030 9.118 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.201 -14.197 7.831 1.00 0.00 H new ATOM 1133 N LYS A 74 -8.932 -11.049 6.346 1.00 0.00 N ATOM 1134 CA LYS A 74 -8.078 -9.905 6.050 1.00 0.00 C ATOM 1135 C LYS A 74 -8.428 -9.301 4.694 1.00 0.00 C ATOM 1136 O LYS A 74 -8.622 -8.091 4.575 1.00 0.00 O ATOM 1137 CB LYS A 74 -6.606 -10.323 6.069 1.00 0.00 C ATOM 1138 CG LYS A 74 -6.106 -10.730 7.444 1.00 0.00 C ATOM 1139 CD LYS A 74 -4.588 -10.781 7.494 1.00 0.00 C ATOM 1140 CE LYS A 74 -4.078 -10.786 8.927 1.00 0.00 C ATOM 1141 NZ LYS A 74 -4.049 -9.417 9.510 1.00 0.00 N ATOM 0 H LYS A 74 -8.428 -11.886 6.640 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.245 -9.150 6.818 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.465 -11.155 5.379 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.998 -9.497 5.701 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.472 -10.023 8.189 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.512 -11.707 7.705 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.236 -11.674 6.978 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.176 -9.923 6.963 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.715 -11.427 9.537 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.076 -11.214 8.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.696 -9.463 10.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.422 -8.812 8.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.010 -9.018 9.508 1.00 0.00 H new ATOM 1155 N ARG A 75 -8.509 -10.150 3.675 1.00 0.00 N ATOM 1156 CA ARG A 75 -8.837 -9.699 2.328 1.00 0.00 C ATOM 1157 C ARG A 75 -10.059 -8.785 2.343 1.00 0.00 C ATOM 1158 O ARG A 75 -9.990 -7.631 1.919 1.00 0.00 O ATOM 1159 CB ARG A 75 -9.095 -10.898 1.415 1.00 0.00 C ATOM 1160 CG ARG A 75 -9.306 -10.520 -0.042 1.00 0.00 C ATOM 1161 CD ARG A 75 -9.832 -11.694 -0.852 1.00 0.00 C ATOM 1162 NE ARG A 75 -11.258 -11.920 -0.628 1.00 0.00 N ATOM 1163 CZ ARG A 75 -12.216 -11.272 -1.281 1.00 0.00 C ATOM 1164 NH1 ARG A 75 -11.903 -10.364 -2.195 1.00 0.00 N ATOM 1165 NH2 ARG A 75 -13.491 -11.533 -1.021 1.00 0.00 N ATOM 0 H ARG A 75 -8.352 -11.155 3.757 1.00 0.00 H new ATOM 0 HA ARG A 75 -7.987 -9.135 1.944 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -8.252 -11.585 1.485 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.974 -11.434 1.773 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.009 -9.689 -0.105 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.365 -10.175 -0.469 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -9.656 -11.510 -1.912 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -9.277 -12.594 -0.588 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.533 -12.613 0.068 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.924 -10.161 -2.398 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.641 -9.868 -2.695 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.736 -12.232 -0.319 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.226 -11.035 -1.523 1.00 0.00 H new ATOM 1179 N THR A 76 -11.177 -9.309 2.835 1.00 0.00 N ATOM 1180 CA THR A 76 -12.415 -8.542 2.904 1.00 0.00 C ATOM 1181 C THR A 76 -12.234 -7.281 3.742 1.00 0.00 C ATOM 1182 O THR A 76 -12.660 -6.197 3.348 1.00 0.00 O ATOM 1183 CB THR A 76 -13.563 -9.380 3.498 1.00 0.00 C ATOM 1184 OG1 THR A 76 -13.797 -10.535 2.685 1.00 0.00 O ATOM 1185 CG2 THR A 76 -14.838 -8.556 3.598 1.00 0.00 C ATOM 0 H THR A 76 -11.251 -10.262 3.192 1.00 0.00 H new ATOM 0 HA THR A 76 -12.671 -8.262 1.882 1.00 0.00 H new ATOM 0 HB THR A 76 -13.274 -9.695 4.501 1.00 0.00 H new ATOM 0 HG1 THR A 76 -13.087 -11.192 2.839 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.635 -9.168 4.020 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.664 -7.693 4.241 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.130 -8.215 2.605 1.00 0.00 H new