USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 632 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 37 GLN : amide:sc= -0.481 X(o=-0.48,f=0) USER MOD Set 1.2: A 53 SER OG : rot 170:sc= 0 USER MOD Set 2.1: A 25 GLN : amide:sc= -0.316 K(o=-2.7,f=-2) USER MOD Set 2.2: A 77 GLN : amide:sc= -2.36 K(o=-2.7,f=-8.9!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 32:sc= -3.08! USER MOD Single : A 24 GLN : amide:sc= -0.0837 X(o=-0.084,f=-0.078) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.358 X(o=-0.36,f=0.038) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 49 GLN : amide:sc= -0.289 X(o=-0.29,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.0558 K(o=-0.056,f=-3!) USER MOD Single : A 76 MET CE :methyl 169:sc= -7.11! (180deg=-7.31!) USER MOD Single : A 78 ASN : amide:sc= -0.245 K(o=-0.24,f=-2.2!) USER MOD Single : A 81 ASN : amide:sc= -0.732 K(o=-0.73,f=-2.2!) USER MOD Single : A 91 TYR OH : rot 56:sc= 0.365! USER MOD Single : A 92 GLN : amide:sc= -0.392 K(o=-0.39,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 212 N VAL A 18 -7.989 2.313 -7.173 1.00 0.00 N ATOM 213 CA VAL A 18 -7.706 1.668 -5.902 1.00 0.00 C ATOM 214 C VAL A 18 -8.482 0.353 -5.818 1.00 0.00 C ATOM 215 O VAL A 18 -9.632 0.278 -6.248 1.00 0.00 O ATOM 216 CB VAL A 18 -8.021 2.623 -4.749 1.00 0.00 C ATOM 217 CG1 VAL A 18 -7.942 1.902 -3.402 1.00 0.00 C ATOM 218 CG2 VAL A 18 -7.093 3.839 -4.774 1.00 0.00 C ATOM 0 HA VAL A 18 -6.646 1.425 -5.825 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.043 2.979 -4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.170 2.604 -2.600 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.662 1.084 -3.384 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.937 1.504 -3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.339 4.501 -3.944 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.058 3.509 -4.681 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.220 4.374 -5.715 1.00 0.00 H new ATOM 228 N SER A 19 -7.822 -0.652 -5.261 1.00 0.00 N ATOM 229 CA SER A 19 -8.435 -1.961 -5.115 1.00 0.00 C ATOM 230 C SER A 19 -9.093 -2.080 -3.739 1.00 0.00 C ATOM 231 O SER A 19 -8.673 -1.424 -2.787 1.00 0.00 O ATOM 232 CB SER A 19 -7.407 -3.077 -5.310 1.00 0.00 C ATOM 233 OG SER A 19 -7.731 -3.915 -6.415 1.00 0.00 O ATOM 0 H SER A 19 -6.868 -0.586 -4.905 1.00 0.00 H new ATOM 0 HA SER A 19 -9.198 -2.069 -5.886 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.421 -2.639 -5.465 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.349 -3.679 -4.403 1.00 0.00 H new ATOM 0 HG SER A 19 -7.050 -4.613 -6.507 1.00 0.00 H new ATOM 239 N PRO A 20 -10.141 -2.945 -3.675 1.00 0.00 N ATOM 240 CA PRO A 20 -10.861 -3.158 -2.431 1.00 0.00 C ATOM 241 C PRO A 20 -10.046 -4.022 -1.467 1.00 0.00 C ATOM 242 O PRO A 20 -10.297 -4.021 -0.263 1.00 0.00 O ATOM 243 CB PRO A 20 -12.174 -3.804 -2.843 1.00 0.00 C ATOM 244 CG PRO A 20 -11.949 -4.351 -4.243 1.00 0.00 C ATOM 245 CD PRO A 20 -10.667 -3.738 -4.782 1.00 0.00 C ATOM 0 HA PRO A 20 -11.042 -2.232 -1.885 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.451 -4.601 -2.152 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.986 -3.077 -2.834 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.872 -5.438 -4.220 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -12.791 -4.104 -4.889 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.959 -4.508 -5.089 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -10.862 -3.117 -5.656 1.00 0.00 H new ATOM 253 N ASP A 21 -9.086 -4.739 -2.033 1.00 0.00 N ATOM 254 CA ASP A 21 -8.233 -5.606 -1.239 1.00 0.00 C ATOM 255 C ASP A 21 -6.928 -4.875 -0.918 1.00 0.00 C ATOM 256 O ASP A 21 -5.981 -5.478 -0.415 1.00 0.00 O ATOM 257 CB ASP A 21 -7.882 -6.884 -2.003 1.00 0.00 C ATOM 258 CG ASP A 21 -9.031 -7.490 -2.813 1.00 0.00 C ATOM 259 OD1 ASP A 21 -10.132 -7.609 -2.233 1.00 0.00 O ATOM 260 OD2 ASP A 21 -8.782 -7.819 -3.992 1.00 0.00 O ATOM 0 H ASP A 21 -8.880 -4.737 -3.032 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.772 -5.867 -0.328 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.054 -6.669 -2.679 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.527 -7.629 -1.291 1.00 0.00 H new ATOM 265 N ILE A 22 -6.920 -3.585 -1.221 1.00 0.00 N ATOM 266 CA ILE A 22 -5.747 -2.764 -0.970 1.00 0.00 C ATOM 267 C ILE A 22 -5.172 -3.111 0.404 1.00 0.00 C ATOM 268 O ILE A 22 -3.955 -3.147 0.580 1.00 0.00 O ATOM 269 CB ILE A 22 -6.084 -1.282 -1.140 1.00 0.00 C ATOM 270 CG1 ILE A 22 -4.891 -0.401 -0.764 1.00 0.00 C ATOM 271 CG2 ILE A 22 -7.341 -0.911 -0.350 1.00 0.00 C ATOM 272 CD1 ILE A 22 -4.016 -0.112 -1.985 1.00 0.00 C ATOM 0 H ILE A 22 -7.707 -3.088 -1.638 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.969 -2.976 -1.704 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.299 -1.100 -2.193 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.247 0.537 -0.337 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.297 -0.896 0.005 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.558 0.148 -0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.183 -1.504 -0.707 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.178 -1.113 0.709 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.175 0.516 -1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.642 -1.050 -2.395 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.607 0.404 -2.742 1.00 0.00 H new ATOM 284 N TYR A 23 -6.073 -3.357 1.343 1.00 0.00 N ATOM 285 CA TYR A 23 -5.670 -3.700 2.696 1.00 0.00 C ATOM 286 C TYR A 23 -4.828 -4.978 2.711 1.00 0.00 C ATOM 287 O TYR A 23 -3.682 -4.964 3.156 1.00 0.00 O ATOM 288 CB TYR A 23 -6.966 -3.948 3.472 1.00 0.00 C ATOM 289 CG TYR A 23 -8.030 -2.869 3.266 1.00 0.00 C ATOM 290 CD1 TYR A 23 -7.871 -1.624 3.841 1.00 0.00 C ATOM 291 CD2 TYR A 23 -9.150 -3.140 2.506 1.00 0.00 C ATOM 292 CE1 TYR A 23 -8.874 -0.609 3.647 1.00 0.00 C ATOM 293 CE2 TYR A 23 -10.152 -2.125 2.313 1.00 0.00 C ATOM 294 CZ TYR A 23 -9.965 -0.909 2.893 1.00 0.00 C ATOM 295 OH TYR A 23 -10.911 0.050 2.710 1.00 0.00 O ATOM 0 H TYR A 23 -7.082 -3.326 1.194 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.068 -2.902 3.131 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.378 -4.912 3.173 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.734 -4.017 4.535 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.995 -1.411 4.436 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.274 -4.114 2.056 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.762 0.369 4.091 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -11.033 -2.324 1.721 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.485 0.932 2.701 1.00 0.00 H new ATOM 305 N GLN A 24 -5.430 -6.050 2.219 1.00 0.00 N ATOM 306 CA GLN A 24 -4.750 -7.334 2.170 1.00 0.00 C ATOM 307 C GLN A 24 -3.471 -7.225 1.338 1.00 0.00 C ATOM 308 O GLN A 24 -2.455 -7.832 1.672 1.00 0.00 O ATOM 309 CB GLN A 24 -5.673 -8.422 1.618 1.00 0.00 C ATOM 310 CG GLN A 24 -4.956 -9.773 1.565 1.00 0.00 C ATOM 311 CD GLN A 24 -4.711 -10.320 2.973 1.00 0.00 C ATOM 312 OE1 GLN A 24 -5.620 -10.489 3.768 1.00 0.00 O ATOM 313 NE2 GLN A 24 -3.434 -10.585 3.234 1.00 0.00 N ATOM 0 H GLN A 24 -6.381 -6.057 1.851 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.476 -7.618 3.186 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.562 -8.502 2.244 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.010 -8.146 0.619 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.554 -10.484 0.994 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.005 -9.664 1.043 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.723 -10.420 2.522 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.166 -10.953 4.147 1.00 0.00 H new ATOM 322 N GLN A 25 -3.563 -6.447 0.269 1.00 0.00 N ATOM 323 CA GLN A 25 -2.426 -6.251 -0.614 1.00 0.00 C ATOM 324 C GLN A 25 -1.210 -5.774 0.184 1.00 0.00 C ATOM 325 O GLN A 25 -0.136 -6.367 0.098 1.00 0.00 O ATOM 326 CB GLN A 25 -2.766 -5.267 -1.735 1.00 0.00 C ATOM 327 CG GLN A 25 -3.522 -5.966 -2.867 1.00 0.00 C ATOM 328 CD GLN A 25 -3.051 -5.464 -4.233 1.00 0.00 C ATOM 329 OE1 GLN A 25 -2.360 -6.149 -4.970 1.00 0.00 O ATOM 330 NE2 GLN A 25 -3.461 -4.235 -4.530 1.00 0.00 N ATOM 0 H GLN A 25 -4.408 -5.945 -0.005 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.181 -7.207 -1.076 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.371 -4.452 -1.337 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.850 -4.823 -2.124 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.370 -7.043 -2.799 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.592 -5.787 -2.759 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.038 -3.716 -3.868 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.199 -3.811 -5.420 1.00 0.00 H new ATOM 339 N VAL A 26 -1.421 -4.709 0.942 1.00 0.00 N ATOM 340 CA VAL A 26 -0.356 -4.146 1.755 1.00 0.00 C ATOM 341 C VAL A 26 0.236 -5.242 2.643 1.00 0.00 C ATOM 342 O VAL A 26 1.395 -5.619 2.481 1.00 0.00 O ATOM 343 CB VAL A 26 -0.881 -2.950 2.551 1.00 0.00 C ATOM 344 CG1 VAL A 26 0.131 -2.509 3.610 1.00 0.00 C ATOM 345 CG2 VAL A 26 -1.244 -1.789 1.622 1.00 0.00 C ATOM 0 H VAL A 26 -2.314 -4.220 1.011 1.00 0.00 H new ATOM 0 HA VAL A 26 0.448 -3.770 1.123 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.789 -3.263 3.066 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.267 -1.657 4.161 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.318 -3.332 4.299 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.064 -2.223 3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.614 -0.952 2.214 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.360 -1.477 1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.017 -2.110 0.924 1.00 0.00 H new ATOM 355 N ARG A 27 -0.588 -5.723 3.562 1.00 0.00 N ATOM 356 CA ARG A 27 -0.161 -6.769 4.476 1.00 0.00 C ATOM 357 C ARG A 27 0.695 -7.801 3.740 1.00 0.00 C ATOM 358 O ARG A 27 1.797 -8.125 4.178 1.00 0.00 O ATOM 359 CB ARG A 27 -1.364 -7.472 5.109 1.00 0.00 C ATOM 360 CG ARG A 27 -2.162 -6.508 5.989 1.00 0.00 C ATOM 361 CD ARG A 27 -2.831 -7.250 7.148 1.00 0.00 C ATOM 362 NE ARG A 27 -1.806 -7.715 8.109 1.00 0.00 N ATOM 363 CZ ARG A 27 -2.082 -8.187 9.332 1.00 0.00 C ATOM 364 NH1 ARG A 27 -3.353 -8.259 9.752 1.00 0.00 N ATOM 365 NH2 ARG A 27 -1.088 -8.587 10.137 1.00 0.00 N ATOM 0 H ARG A 27 -1.549 -5.408 3.693 1.00 0.00 H new ATOM 0 HA ARG A 27 0.428 -6.300 5.264 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.008 -7.874 4.327 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.023 -8.317 5.706 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.501 -5.735 6.381 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.920 -6.005 5.389 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.541 -6.593 7.650 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.398 -8.100 6.768 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.828 -7.673 7.822 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.110 -7.954 9.140 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.563 -8.618 10.683 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.121 -8.532 9.819 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.299 -8.946 11.068 1.00 0.00 H new ATOM 379 N ASP A 28 0.155 -8.288 2.632 1.00 0.00 N ATOM 380 CA ASP A 28 0.856 -9.277 1.830 1.00 0.00 C ATOM 381 C ASP A 28 2.159 -8.671 1.306 1.00 0.00 C ATOM 382 O ASP A 28 3.194 -9.336 1.290 1.00 0.00 O ATOM 383 CB ASP A 28 0.016 -9.705 0.625 1.00 0.00 C ATOM 384 CG ASP A 28 0.139 -11.181 0.242 1.00 0.00 C ATOM 385 OD1 ASP A 28 -0.232 -12.020 1.091 1.00 0.00 O ATOM 386 OD2 ASP A 28 0.601 -11.437 -0.890 1.00 0.00 O ATOM 0 H ASP A 28 -0.759 -8.016 2.271 1.00 0.00 H new ATOM 0 HA ASP A 28 1.051 -10.145 2.460 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.031 -9.486 0.835 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.303 -9.097 -0.233 1.00 0.00 H new ATOM 391 N GLU A 29 2.067 -7.417 0.891 1.00 0.00 N ATOM 392 CA GLU A 29 3.226 -6.714 0.368 1.00 0.00 C ATOM 393 C GLU A 29 4.321 -6.629 1.434 1.00 0.00 C ATOM 394 O GLU A 29 5.492 -6.869 1.146 1.00 0.00 O ATOM 395 CB GLU A 29 2.842 -5.321 -0.136 1.00 0.00 C ATOM 396 CG GLU A 29 4.086 -4.473 -0.404 1.00 0.00 C ATOM 397 CD GLU A 29 4.885 -5.030 -1.584 1.00 0.00 C ATOM 398 OE1 GLU A 29 4.249 -5.291 -2.628 1.00 0.00 O ATOM 399 OE2 GLU A 29 6.115 -5.182 -1.416 1.00 0.00 O ATOM 0 H GLU A 29 1.207 -6.869 0.906 1.00 0.00 H new ATOM 0 HA GLU A 29 3.615 -7.277 -0.481 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.255 -5.410 -1.050 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.211 -4.825 0.601 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.791 -3.445 -0.613 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.714 -4.450 0.487 1.00 0.00 H new ATOM 406 N LEU A 30 3.900 -6.286 2.642 1.00 0.00 N ATOM 407 CA LEU A 30 4.830 -6.167 3.752 1.00 0.00 C ATOM 408 C LEU A 30 5.449 -7.535 4.043 1.00 0.00 C ATOM 409 O LEU A 30 6.660 -7.646 4.231 1.00 0.00 O ATOM 410 CB LEU A 30 4.141 -5.533 4.963 1.00 0.00 C ATOM 411 CG LEU A 30 3.329 -4.267 4.686 1.00 0.00 C ATOM 412 CD1 LEU A 30 2.467 -3.893 5.893 1.00 0.00 C ATOM 413 CD2 LEU A 30 4.239 -3.115 4.253 1.00 0.00 C ATOM 0 H LEU A 30 2.928 -6.087 2.877 1.00 0.00 H new ATOM 0 HA LEU A 30 5.649 -5.496 3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.479 -6.275 5.409 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.902 -5.297 5.707 1.00 0.00 H new ATOM 0 HG LEU A 30 2.651 -4.471 3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.900 -2.989 5.669 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.778 -4.708 6.115 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.108 -3.715 6.757 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.636 -2.227 4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.958 -2.902 5.044 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.772 -3.394 3.344 1.00 0.00 H new ATOM 425 N LYS A 31 4.590 -8.544 4.071 1.00 0.00 N ATOM 426 CA LYS A 31 5.037 -9.900 4.336 1.00 0.00 C ATOM 427 C LYS A 31 5.874 -10.397 3.155 1.00 0.00 C ATOM 428 O LYS A 31 6.524 -11.437 3.244 1.00 0.00 O ATOM 429 CB LYS A 31 3.847 -10.802 4.669 1.00 0.00 C ATOM 430 CG LYS A 31 4.152 -12.262 4.327 1.00 0.00 C ATOM 431 CD LYS A 31 2.972 -13.167 4.685 1.00 0.00 C ATOM 432 CE LYS A 31 3.042 -14.489 3.918 1.00 0.00 C ATOM 433 NZ LYS A 31 2.635 -15.615 4.788 1.00 0.00 N ATOM 0 H LYS A 31 3.587 -8.449 3.914 1.00 0.00 H new ATOM 0 HA LYS A 31 5.680 -9.923 5.216 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.606 -10.716 5.729 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.969 -10.471 4.115 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.374 -12.351 3.264 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.041 -12.587 4.867 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.972 -13.364 5.757 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.036 -12.658 4.455 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.392 -14.444 3.044 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.056 -14.652 3.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.688 -16.505 4.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.271 -15.667 5.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.659 -15.466 5.115 1.00 0.00 H new ATOM 447 N ARG A 32 5.830 -9.629 2.076 1.00 0.00 N ATOM 448 CA ARG A 32 6.575 -9.978 0.879 1.00 0.00 C ATOM 449 C ARG A 32 7.992 -9.406 0.950 1.00 0.00 C ATOM 450 O ARG A 32 8.967 -10.123 0.732 1.00 0.00 O ATOM 451 CB ARG A 32 5.881 -9.447 -0.377 1.00 0.00 C ATOM 452 CG ARG A 32 5.881 -10.497 -1.489 1.00 0.00 C ATOM 453 CD ARG A 32 4.502 -11.145 -1.632 1.00 0.00 C ATOM 454 NE ARG A 32 4.528 -12.516 -1.073 1.00 0.00 N ATOM 455 CZ ARG A 32 5.223 -13.531 -1.604 1.00 0.00 C ATOM 456 NH1 ARG A 32 5.955 -13.336 -2.709 1.00 0.00 N ATOM 457 NH2 ARG A 32 5.187 -14.741 -1.029 1.00 0.00 N ATOM 0 H ARG A 32 5.290 -8.767 2.006 1.00 0.00 H new ATOM 0 HA ARG A 32 6.620 -11.066 0.823 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.856 -9.165 -0.138 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.387 -8.546 -0.723 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.168 -10.033 -2.432 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.626 -11.263 -1.271 1.00 0.00 H new ATOM 0 HD2 ARG A 32 3.754 -10.546 -1.113 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.213 -11.177 -2.682 1.00 0.00 H new ATOM 0 HE ARG A 32 3.983 -12.699 -0.231 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.983 -12.415 -3.146 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.484 -14.109 -3.113 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.630 -14.889 -0.187 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.716 -15.514 -1.433 1.00 0.00 H new ATOM 471 N ALA A 33 8.062 -8.118 1.256 1.00 0.00 N ATOM 472 CA ALA A 33 9.343 -7.441 1.359 1.00 0.00 C ATOM 473 C ALA A 33 9.832 -7.502 2.808 1.00 0.00 C ATOM 474 O ALA A 33 10.919 -7.018 3.121 1.00 0.00 O ATOM 475 CB ALA A 33 9.204 -6.005 0.850 1.00 0.00 C ATOM 0 H ALA A 33 7.251 -7.526 1.436 1.00 0.00 H new ATOM 0 HA ALA A 33 10.090 -7.936 0.738 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.165 -5.497 0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.883 -6.018 -0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.465 -5.476 1.451 1.00 0.00 H new ATOM 481 N SER A 34 9.006 -8.100 3.653 1.00 0.00 N ATOM 482 CA SER A 34 9.340 -8.230 5.061 1.00 0.00 C ATOM 483 C SER A 34 9.829 -6.887 5.609 1.00 0.00 C ATOM 484 O SER A 34 10.868 -6.821 6.263 1.00 0.00 O ATOM 485 CB SER A 34 10.402 -9.310 5.278 1.00 0.00 C ATOM 486 OG SER A 34 10.249 -9.965 6.534 1.00 0.00 O ATOM 0 H SER A 34 8.106 -8.500 3.390 1.00 0.00 H new ATOM 0 HA SER A 34 8.441 -8.530 5.599 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.340 -10.045 4.476 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.393 -8.860 5.222 1.00 0.00 H new ATOM 0 HG SER A 34 10.945 -10.648 6.634 1.00 0.00 H new ATOM 492 N VAL A 35 9.055 -5.851 5.323 1.00 0.00 N ATOM 493 CA VAL A 35 9.396 -4.514 5.778 1.00 0.00 C ATOM 494 C VAL A 35 8.505 -4.142 6.965 1.00 0.00 C ATOM 495 O VAL A 35 7.641 -4.920 7.365 1.00 0.00 O ATOM 496 CB VAL A 35 9.290 -3.522 4.618 1.00 0.00 C ATOM 497 CG1 VAL A 35 9.184 -4.255 3.279 1.00 0.00 C ATOM 498 CG2 VAL A 35 8.110 -2.569 4.817 1.00 0.00 C ATOM 0 H VAL A 35 8.193 -5.910 4.782 1.00 0.00 H new ATOM 0 HA VAL A 35 10.430 -4.480 6.123 1.00 0.00 H new ATOM 0 HB VAL A 35 10.202 -2.925 4.602 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.110 -3.527 2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.070 -4.873 3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.297 -4.888 3.280 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.058 -1.875 3.978 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.185 -3.142 4.872 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.246 -2.010 5.743 1.00 0.00 H new ATOM 508 N SER A 36 8.746 -2.952 7.495 1.00 0.00 N ATOM 509 CA SER A 36 7.977 -2.467 8.628 1.00 0.00 C ATOM 510 C SER A 36 6.839 -1.567 8.141 1.00 0.00 C ATOM 511 O SER A 36 7.042 -0.718 7.275 1.00 0.00 O ATOM 512 CB SER A 36 8.867 -1.710 9.615 1.00 0.00 C ATOM 513 OG SER A 36 9.174 -2.492 10.766 1.00 0.00 O ATOM 0 H SER A 36 9.464 -2.309 7.160 1.00 0.00 H new ATOM 0 HA SER A 36 7.555 -3.327 9.148 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.792 -1.418 9.118 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.367 -0.792 9.923 1.00 0.00 H new ATOM 0 HG SER A 36 9.745 -1.974 11.371 1.00 0.00 H new ATOM 519 N GLN A 37 5.667 -1.783 8.720 1.00 0.00 N ATOM 520 CA GLN A 37 4.497 -1.002 8.356 1.00 0.00 C ATOM 521 C GLN A 37 4.872 0.473 8.197 1.00 0.00 C ATOM 522 O GLN A 37 4.250 1.195 7.419 1.00 0.00 O ATOM 523 CB GLN A 37 3.380 -1.175 9.387 1.00 0.00 C ATOM 524 CG GLN A 37 2.648 -2.503 9.184 1.00 0.00 C ATOM 525 CD GLN A 37 1.655 -2.761 10.319 1.00 0.00 C ATOM 526 OE1 GLN A 37 1.986 -3.317 11.354 1.00 0.00 O ATOM 527 NE2 GLN A 37 0.423 -2.328 10.069 1.00 0.00 N ATOM 0 H GLN A 37 5.503 -2.488 9.439 1.00 0.00 H new ATOM 0 HA GLN A 37 4.124 -1.367 7.399 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.799 -1.137 10.392 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.673 -0.350 9.305 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.120 -2.489 8.230 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.371 -3.317 9.136 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.213 -1.871 9.182 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.313 -2.453 10.764 1.00 0.00 H new ATOM 536 N ALA A 38 5.888 0.877 8.946 1.00 0.00 N ATOM 537 CA ALA A 38 6.353 2.252 8.898 1.00 0.00 C ATOM 538 C ALA A 38 7.101 2.487 7.584 1.00 0.00 C ATOM 539 O ALA A 38 6.697 3.323 6.777 1.00 0.00 O ATOM 540 CB ALA A 38 7.222 2.541 10.124 1.00 0.00 C ATOM 0 H ALA A 38 6.402 0.275 9.590 1.00 0.00 H new ATOM 0 HA ALA A 38 5.511 2.943 8.926 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.571 3.573 10.088 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.636 2.388 11.030 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.080 1.868 10.129 1.00 0.00 H new ATOM 546 N VAL A 39 8.178 1.735 7.411 1.00 0.00 N ATOM 547 CA VAL A 39 8.986 1.851 6.209 1.00 0.00 C ATOM 548 C VAL A 39 8.067 1.948 4.989 1.00 0.00 C ATOM 549 O VAL A 39 8.207 2.858 4.173 1.00 0.00 O ATOM 550 CB VAL A 39 9.969 0.682 6.125 1.00 0.00 C ATOM 551 CG1 VAL A 39 10.640 0.628 4.751 1.00 0.00 C ATOM 552 CG2 VAL A 39 11.011 0.760 7.242 1.00 0.00 C ATOM 0 H VAL A 39 8.510 1.043 8.083 1.00 0.00 H new ATOM 0 HA VAL A 39 9.585 2.761 6.238 1.00 0.00 H new ATOM 0 HB VAL A 39 9.404 -0.241 6.258 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.334 -0.212 4.718 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.880 0.502 3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 39 11.185 1.556 4.575 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.697 -0.083 7.159 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.569 1.692 7.155 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.510 0.726 8.210 1.00 0.00 H new ATOM 562 N PHE A 40 7.148 0.998 4.903 1.00 0.00 N ATOM 563 CA PHE A 40 6.206 0.965 3.797 1.00 0.00 C ATOM 564 C PHE A 40 5.352 2.234 3.766 1.00 0.00 C ATOM 565 O PHE A 40 5.435 3.020 2.823 1.00 0.00 O ATOM 566 CB PHE A 40 5.295 -0.243 4.021 1.00 0.00 C ATOM 567 CG PHE A 40 4.085 -0.291 3.086 1.00 0.00 C ATOM 568 CD1 PHE A 40 4.195 -0.872 1.861 1.00 0.00 C ATOM 569 CD2 PHE A 40 2.899 0.246 3.479 1.00 0.00 C ATOM 570 CE1 PHE A 40 3.072 -0.917 0.993 1.00 0.00 C ATOM 571 CE2 PHE A 40 1.776 0.201 2.612 1.00 0.00 C ATOM 572 CZ PHE A 40 1.886 -0.379 1.387 1.00 0.00 C ATOM 0 H PHE A 40 7.035 0.245 5.581 1.00 0.00 H new ATOM 0 HA PHE A 40 6.745 0.899 2.852 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.878 -1.154 3.891 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.944 -0.234 5.053 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.136 -1.299 1.549 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.811 0.707 4.452 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.159 -1.378 0.020 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.834 0.627 2.925 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.032 -0.413 0.727 1.00 0.00 H new ATOM 582 N ALA A 41 4.552 2.396 4.809 1.00 0.00 N ATOM 583 CA ALA A 41 3.683 3.556 4.913 1.00 0.00 C ATOM 584 C ALA A 41 4.460 4.808 4.500 1.00 0.00 C ATOM 585 O ALA A 41 3.895 5.725 3.906 1.00 0.00 O ATOM 586 CB ALA A 41 3.132 3.656 6.337 1.00 0.00 C ATOM 0 H ALA A 41 4.487 1.743 5.590 1.00 0.00 H new ATOM 0 HA ALA A 41 2.831 3.459 4.240 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.480 4.526 6.415 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.564 2.755 6.572 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.958 3.758 7.041 1.00 0.00 H new ATOM 592 N ARG A 42 5.743 4.805 4.830 1.00 0.00 N ATOM 593 CA ARG A 42 6.603 5.929 4.500 1.00 0.00 C ATOM 594 C ARG A 42 6.834 5.995 2.989 1.00 0.00 C ATOM 595 O ARG A 42 6.783 7.072 2.396 1.00 0.00 O ATOM 596 CB ARG A 42 7.953 5.817 5.212 1.00 0.00 C ATOM 597 CG ARG A 42 8.821 7.047 4.938 1.00 0.00 C ATOM 598 CD ARG A 42 8.091 8.332 5.335 1.00 0.00 C ATOM 599 NE ARG A 42 8.972 9.176 6.173 1.00 0.00 N ATOM 600 CZ ARG A 42 9.970 9.929 5.691 1.00 0.00 C ATOM 601 NH1 ARG A 42 10.221 9.947 4.375 1.00 0.00 N ATOM 602 NH2 ARG A 42 10.718 10.663 6.526 1.00 0.00 N ATOM 0 H ARG A 42 6.208 4.042 5.322 1.00 0.00 H new ATOM 0 HA ARG A 42 6.104 6.838 4.834 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.794 5.711 6.285 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.472 4.919 4.876 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.755 6.969 5.494 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.082 7.084 3.880 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.790 8.880 4.442 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.180 8.088 5.881 1.00 0.00 H new ATOM 0 HE ARG A 42 8.809 9.185 7.180 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.652 9.387 3.740 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.981 10.520 4.009 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.528 10.648 7.528 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.478 11.236 6.160 1.00 0.00 H new ATOM 616 N VAL A 43 7.084 4.830 2.410 1.00 0.00 N ATOM 617 CA VAL A 43 7.323 4.742 0.979 1.00 0.00 C ATOM 618 C VAL A 43 6.004 4.448 0.263 1.00 0.00 C ATOM 619 O VAL A 43 5.991 4.179 -0.937 1.00 0.00 O ATOM 620 CB VAL A 43 8.405 3.698 0.693 1.00 0.00 C ATOM 621 CG1 VAL A 43 9.667 3.978 1.511 1.00 0.00 C ATOM 622 CG2 VAL A 43 7.884 2.284 0.954 1.00 0.00 C ATOM 0 H VAL A 43 7.126 3.939 2.905 1.00 0.00 H new ATOM 0 HA VAL A 43 7.696 5.691 0.595 1.00 0.00 H new ATOM 0 HB VAL A 43 8.668 3.768 -0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.420 3.222 1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.056 4.963 1.254 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.426 3.949 2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.672 1.561 0.743 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.580 2.195 1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.028 2.087 0.308 1.00 0.00 H new ATOM 632 N ALA A 44 4.925 4.510 1.029 1.00 0.00 N ATOM 633 CA ALA A 44 3.603 4.254 0.483 1.00 0.00 C ATOM 634 C ALA A 44 2.878 5.584 0.267 1.00 0.00 C ATOM 635 O ALA A 44 2.460 5.893 -0.848 1.00 0.00 O ATOM 636 CB ALA A 44 2.836 3.317 1.418 1.00 0.00 C ATOM 0 H ALA A 44 4.939 4.734 2.024 1.00 0.00 H new ATOM 0 HA ALA A 44 3.678 3.758 -0.485 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.844 3.125 1.008 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.377 2.376 1.514 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.739 3.781 2.399 1.00 0.00 H new ATOM 642 N PHE A 45 2.752 6.335 1.351 1.00 0.00 N ATOM 643 CA PHE A 45 2.085 7.625 1.294 1.00 0.00 C ATOM 644 C PHE A 45 2.666 8.588 2.332 1.00 0.00 C ATOM 645 O PHE A 45 1.981 9.503 2.786 1.00 0.00 O ATOM 646 CB PHE A 45 0.609 7.380 1.613 1.00 0.00 C ATOM 647 CG PHE A 45 0.372 6.290 2.661 1.00 0.00 C ATOM 648 CD1 PHE A 45 0.586 4.985 2.345 1.00 0.00 C ATOM 649 CD2 PHE A 45 -0.054 6.627 3.908 1.00 0.00 C ATOM 650 CE1 PHE A 45 0.366 3.974 3.318 1.00 0.00 C ATOM 651 CE2 PHE A 45 -0.274 5.616 4.880 1.00 0.00 C ATOM 652 CZ PHE A 45 -0.060 4.311 4.565 1.00 0.00 C ATOM 0 H PHE A 45 3.100 6.075 2.274 1.00 0.00 H new ATOM 0 HA PHE A 45 2.219 8.071 0.308 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.164 8.311 1.965 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.090 7.106 0.695 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.923 4.717 1.355 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.225 7.664 4.159 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.537 2.937 3.068 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.612 5.884 5.870 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.228 3.542 5.305 1.00 0.00 H new ATOM 662 N ASN A 46 3.923 8.349 2.676 1.00 0.00 N ATOM 663 CA ASN A 46 4.603 9.184 3.651 1.00 0.00 C ATOM 664 C ASN A 46 3.787 9.217 4.946 1.00 0.00 C ATOM 665 O ASN A 46 3.278 10.267 5.336 1.00 0.00 O ATOM 666 CB ASN A 46 4.743 10.621 3.144 1.00 0.00 C ATOM 667 CG ASN A 46 5.643 11.444 4.069 1.00 0.00 C ATOM 668 OD1 ASN A 46 5.201 12.046 5.033 1.00 0.00 O ATOM 669 ND2 ASN A 46 6.927 11.435 3.722 1.00 0.00 N ATOM 0 H ASN A 46 4.488 7.589 2.297 1.00 0.00 H new ATOM 0 HA ASN A 46 5.594 8.764 3.822 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.159 10.616 2.136 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.759 11.085 3.081 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.609 11.954 4.276 1.00 0.00 H new ATOM 0 HD22 ASN A 46 7.230 10.909 2.902 1.00 0.00 H new ATOM 676 N ARG A 47 3.689 8.056 5.575 1.00 0.00 N ATOM 677 CA ARG A 47 2.944 7.938 6.817 1.00 0.00 C ATOM 678 C ARG A 47 3.735 7.114 7.835 1.00 0.00 C ATOM 679 O ARG A 47 4.893 6.773 7.597 1.00 0.00 O ATOM 680 CB ARG A 47 1.584 7.278 6.583 1.00 0.00 C ATOM 681 CG ARG A 47 0.474 8.327 6.486 1.00 0.00 C ATOM 682 CD ARG A 47 0.237 9.001 7.839 1.00 0.00 C ATOM 683 NE ARG A 47 -0.749 10.095 7.693 1.00 0.00 N ATOM 684 CZ ARG A 47 -0.436 11.343 7.318 1.00 0.00 C ATOM 685 NH1 ARG A 47 0.837 11.662 7.048 1.00 0.00 N ATOM 686 NH2 ARG A 47 -1.397 12.272 7.212 1.00 0.00 N ATOM 0 H ARG A 47 4.113 7.188 5.248 1.00 0.00 H new ATOM 0 HA ARG A 47 2.785 8.944 7.205 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.614 6.690 5.666 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.366 6.587 7.398 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.743 9.078 5.743 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.448 7.856 6.144 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.124 8.269 8.561 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.176 9.396 8.227 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.728 9.886 7.890 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.568 10.955 7.128 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.075 12.612 6.763 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.366 12.029 7.417 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.159 13.222 6.927 1.00 0.00 H new ATOM 700 N THR A 48 3.079 6.818 8.947 1.00 0.00 N ATOM 701 CA THR A 48 3.706 6.040 10.002 1.00 0.00 C ATOM 702 C THR A 48 3.108 4.633 10.054 1.00 0.00 C ATOM 703 O THR A 48 2.755 4.065 9.021 1.00 0.00 O ATOM 704 CB THR A 48 3.556 6.814 11.313 1.00 0.00 C ATOM 705 OG1 THR A 48 2.166 6.718 11.615 1.00 0.00 O ATOM 706 CG2 THR A 48 3.796 8.314 11.139 1.00 0.00 C ATOM 0 H THR A 48 2.119 7.103 9.141 1.00 0.00 H new ATOM 0 HA THR A 48 4.770 5.899 9.811 1.00 0.00 H new ATOM 0 HB THR A 48 4.255 6.418 12.050 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.980 7.192 12.452 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.677 8.815 12.100 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.807 8.480 10.766 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.076 8.718 10.427 1.00 0.00 H new ATOM 714 N GLN A 49 3.012 4.110 11.268 1.00 0.00 N ATOM 715 CA GLN A 49 2.463 2.780 11.469 1.00 0.00 C ATOM 716 C GLN A 49 1.126 2.864 12.208 1.00 0.00 C ATOM 717 O GLN A 49 0.113 2.359 11.725 1.00 0.00 O ATOM 718 CB GLN A 49 3.451 1.887 12.222 1.00 0.00 C ATOM 719 CG GLN A 49 2.851 0.503 12.482 1.00 0.00 C ATOM 720 CD GLN A 49 3.805 -0.361 13.310 1.00 0.00 C ATOM 721 OE1 GLN A 49 3.446 -0.919 14.334 1.00 0.00 O ATOM 722 NE2 GLN A 49 5.035 -0.439 12.811 1.00 0.00 N ATOM 0 H GLN A 49 3.305 4.584 12.122 1.00 0.00 H new ATOM 0 HA GLN A 49 2.288 2.329 10.492 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.369 1.786 11.644 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.720 2.354 13.169 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.901 0.607 13.006 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.639 0.010 11.533 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.268 0.054 11.949 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.746 -0.992 13.290 1.00 0.00 H new ATOM 731 N GLY A 50 1.166 3.505 13.367 1.00 0.00 N ATOM 732 CA GLY A 50 -0.030 3.661 14.177 1.00 0.00 C ATOM 733 C GLY A 50 -1.242 3.996 13.306 1.00 0.00 C ATOM 734 O GLY A 50 -2.375 3.679 13.664 1.00 0.00 O ATOM 0 H GLY A 50 2.008 3.922 13.764 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.220 2.743 14.733 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.124 4.452 14.911 1.00 0.00 H new ATOM 738 N LEU A 51 -0.963 4.633 12.178 1.00 0.00 N ATOM 739 CA LEU A 51 -2.017 5.015 11.253 1.00 0.00 C ATOM 740 C LEU A 51 -2.316 3.843 10.316 1.00 0.00 C ATOM 741 O LEU A 51 -3.408 3.279 10.351 1.00 0.00 O ATOM 742 CB LEU A 51 -1.646 6.308 10.523 1.00 0.00 C ATOM 743 CG LEU A 51 -2.549 6.698 9.351 1.00 0.00 C ATOM 744 CD1 LEU A 51 -2.090 6.023 8.057 1.00 0.00 C ATOM 745 CD2 LEU A 51 -4.016 6.397 9.665 1.00 0.00 C ATOM 0 H LEU A 51 -0.022 4.894 11.884 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.938 5.234 11.793 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.649 7.124 11.246 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.625 6.213 10.154 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.466 7.774 9.200 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.749 6.317 7.240 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.069 6.330 7.829 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.125 4.940 8.179 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.636 6.684 8.816 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.135 5.331 9.858 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.323 6.962 10.545 1.00 0.00 H new ATOM 757 N LEU A 52 -1.326 3.511 9.501 1.00 0.00 N ATOM 758 CA LEU A 52 -1.469 2.417 8.556 1.00 0.00 C ATOM 759 C LEU A 52 -2.183 1.249 9.239 1.00 0.00 C ATOM 760 O LEU A 52 -2.977 0.550 8.612 1.00 0.00 O ATOM 761 CB LEU A 52 -0.111 2.043 7.959 1.00 0.00 C ATOM 762 CG LEU A 52 -0.043 0.694 7.239 1.00 0.00 C ATOM 763 CD1 LEU A 52 -0.823 0.735 5.924 1.00 0.00 C ATOM 764 CD2 LEU A 52 1.408 0.256 7.032 1.00 0.00 C ATOM 0 H LEU A 52 -0.421 3.981 9.476 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.089 2.721 7.713 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.182 2.823 7.256 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.628 2.042 8.760 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.518 -0.056 7.872 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.759 -0.236 5.432 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.868 0.970 6.128 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.399 1.500 5.273 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.428 -0.705 6.518 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.930 1.000 6.430 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.901 0.161 8.000 1.00 0.00 H new ATOM 776 N SER A 53 -1.876 1.075 10.516 1.00 0.00 N ATOM 777 CA SER A 53 -2.479 0.004 11.292 1.00 0.00 C ATOM 778 C SER A 53 -3.994 0.200 11.365 1.00 0.00 C ATOM 779 O SER A 53 -4.757 -0.665 10.937 1.00 0.00 O ATOM 780 CB SER A 53 -1.883 -0.059 12.699 1.00 0.00 C ATOM 781 OG SER A 53 -1.376 -1.355 13.007 1.00 0.00 O ATOM 0 H SER A 53 -1.218 1.658 11.033 1.00 0.00 H new ATOM 0 HA SER A 53 -2.265 -0.942 10.794 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.081 0.674 12.786 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.646 0.215 13.428 1.00 0.00 H new ATOM 0 HG SER A 53 -0.863 -1.316 13.841 1.00 0.00 H new ATOM 787 N GLU A 54 -4.386 1.343 11.910 1.00 0.00 N ATOM 788 CA GLU A 54 -5.796 1.663 12.045 1.00 0.00 C ATOM 789 C GLU A 54 -6.509 1.499 10.701 1.00 0.00 C ATOM 790 O GLU A 54 -7.690 1.158 10.658 1.00 0.00 O ATOM 791 CB GLU A 54 -5.987 3.077 12.598 1.00 0.00 C ATOM 792 CG GLU A 54 -6.161 4.090 11.464 1.00 0.00 C ATOM 793 CD GLU A 54 -5.829 5.506 11.939 1.00 0.00 C ATOM 794 OE1 GLU A 54 -4.913 5.623 12.781 1.00 0.00 O ATOM 795 OE2 GLU A 54 -6.499 6.441 11.448 1.00 0.00 O ATOM 0 H GLU A 54 -3.751 2.059 12.263 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.240 0.967 12.757 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.860 3.102 13.250 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.126 3.352 13.208 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.514 3.821 10.629 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.186 4.057 11.096 1.00 0.00 H new ATOM 802 N ILE A 55 -5.761 1.750 9.637 1.00 0.00 N ATOM 803 CA ILE A 55 -6.306 1.634 8.295 1.00 0.00 C ATOM 804 C ILE A 55 -6.502 0.156 7.954 1.00 0.00 C ATOM 805 O ILE A 55 -7.531 -0.225 7.397 1.00 0.00 O ATOM 806 CB ILE A 55 -5.426 2.385 7.292 1.00 0.00 C ATOM 807 CG1 ILE A 55 -5.534 3.898 7.493 1.00 0.00 C ATOM 808 CG2 ILE A 55 -5.757 1.972 5.857 1.00 0.00 C ATOM 809 CD1 ILE A 55 -4.471 4.636 6.678 1.00 0.00 C ATOM 0 H ILE A 55 -4.782 2.033 9.677 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.287 2.107 8.241 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.387 2.110 7.475 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.526 4.238 7.196 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.418 4.137 8.550 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.118 2.520 5.164 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.588 0.902 5.738 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.802 2.200 5.645 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.570 5.710 6.839 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.480 4.311 6.994 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.605 4.414 5.619 1.00 0.00 H new ATOM 821 N LEU A 56 -5.500 -0.637 8.303 1.00 0.00 N ATOM 822 CA LEU A 56 -5.549 -2.065 8.042 1.00 0.00 C ATOM 823 C LEU A 56 -6.489 -2.732 9.049 1.00 0.00 C ATOM 824 O LEU A 56 -6.885 -3.882 8.867 1.00 0.00 O ATOM 825 CB LEU A 56 -4.139 -2.658 8.032 1.00 0.00 C ATOM 826 CG LEU A 56 -3.162 -2.048 7.024 1.00 0.00 C ATOM 827 CD1 LEU A 56 -1.714 -2.235 7.481 1.00 0.00 C ATOM 828 CD2 LEU A 56 -3.398 -2.612 5.621 1.00 0.00 C ATOM 0 H LEU A 56 -4.649 -0.317 8.765 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.957 -2.256 7.049 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.714 -2.551 9.030 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.217 -3.727 7.831 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.348 -0.975 6.975 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.041 -1.793 6.747 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.571 -1.747 8.445 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.497 -3.299 7.577 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.691 -2.162 4.924 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.256 -3.693 5.635 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.415 -2.384 5.303 1.00 0.00 H new ATOM 840 N ARG A 57 -6.818 -1.980 10.089 1.00 0.00 N ATOM 841 CA ARG A 57 -7.704 -2.484 11.125 1.00 0.00 C ATOM 842 C ARG A 57 -9.159 -2.150 10.788 1.00 0.00 C ATOM 843 O ARG A 57 -10.030 -3.016 10.856 1.00 0.00 O ATOM 844 CB ARG A 57 -7.354 -1.884 12.488 1.00 0.00 C ATOM 845 CG ARG A 57 -6.103 -2.545 13.073 1.00 0.00 C ATOM 846 CD ARG A 57 -5.723 -1.911 14.412 1.00 0.00 C ATOM 847 NE ARG A 57 -4.292 -2.156 14.700 1.00 0.00 N ATOM 848 CZ ARG A 57 -3.638 -1.640 15.749 1.00 0.00 C ATOM 849 NH1 ARG A 57 -4.281 -0.847 16.616 1.00 0.00 N ATOM 850 NH2 ARG A 57 -2.339 -1.918 15.932 1.00 0.00 N ATOM 0 H ARG A 57 -6.487 -1.026 10.237 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.577 -3.566 11.173 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.189 -0.811 12.386 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.192 -2.014 13.173 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.281 -3.612 13.209 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.274 -2.447 12.372 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.919 -0.839 14.385 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.339 -2.327 15.209 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.771 -2.755 14.060 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.269 -0.636 16.478 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.782 -0.454 17.415 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -1.849 -2.522 15.272 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.841 -1.525 16.731 1.00 0.00 H new ATOM 864 N LYS A 58 -9.377 -0.893 10.432 1.00 0.00 N ATOM 865 CA LYS A 58 -10.711 -0.434 10.085 1.00 0.00 C ATOM 866 C LYS A 58 -10.995 -0.769 8.619 1.00 0.00 C ATOM 867 O LYS A 58 -12.129 -1.080 8.258 1.00 0.00 O ATOM 868 CB LYS A 58 -10.872 1.050 10.418 1.00 0.00 C ATOM 869 CG LYS A 58 -10.738 1.292 11.923 1.00 0.00 C ATOM 870 CD LYS A 58 -10.268 2.719 12.210 1.00 0.00 C ATOM 871 CE LYS A 58 -9.773 2.854 13.651 1.00 0.00 C ATOM 872 NZ LYS A 58 -10.798 3.510 14.492 1.00 0.00 N ATOM 0 H LYS A 58 -8.652 -0.178 10.376 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.460 -0.954 10.683 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.119 1.630 9.884 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.846 1.400 10.075 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.697 1.117 12.410 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.030 0.580 12.348 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.468 2.988 11.520 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.087 3.417 12.036 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.539 1.869 14.055 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.851 3.435 13.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.446 3.594 15.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.002 4.458 14.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.668 2.941 14.486 1.00 0.00 H new ATOM 886 N GLU A 59 -9.946 -0.695 7.814 1.00 0.00 N ATOM 887 CA GLU A 59 -10.068 -0.986 6.396 1.00 0.00 C ATOM 888 C GLU A 59 -11.119 -0.077 5.756 1.00 0.00 C ATOM 889 O GLU A 59 -11.969 -0.543 4.998 1.00 0.00 O ATOM 890 CB GLU A 59 -10.405 -2.461 6.166 1.00 0.00 C ATOM 891 CG GLU A 59 -9.197 -3.352 6.462 1.00 0.00 C ATOM 892 CD GLU A 59 -9.369 -4.735 5.830 1.00 0.00 C ATOM 893 OE1 GLU A 59 -10.518 -5.227 5.845 1.00 0.00 O ATOM 894 OE2 GLU A 59 -8.347 -5.270 5.348 1.00 0.00 O ATOM 0 H GLU A 59 -9.007 -0.437 8.117 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.107 -0.788 5.920 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.240 -2.751 6.804 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.726 -2.608 5.135 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.291 -2.883 6.078 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.071 -3.454 7.540 1.00 0.00 H new ATOM 901 N GLU A 60 -11.027 1.203 6.084 1.00 0.00 N ATOM 902 CA GLU A 60 -11.959 2.181 5.550 1.00 0.00 C ATOM 903 C GLU A 60 -12.123 1.991 4.041 1.00 0.00 C ATOM 904 O GLU A 60 -11.238 2.353 3.267 1.00 0.00 O ATOM 905 CB GLU A 60 -11.506 3.606 5.877 1.00 0.00 C ATOM 906 CG GLU A 60 -12.384 4.224 6.967 1.00 0.00 C ATOM 907 CD GLU A 60 -12.901 5.599 6.541 1.00 0.00 C ATOM 908 OE1 GLU A 60 -12.110 6.561 6.648 1.00 0.00 O ATOM 909 OE2 GLU A 60 -14.076 5.658 6.117 1.00 0.00 O ATOM 0 H GLU A 60 -10.321 1.586 6.713 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.929 2.025 6.023 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.467 3.595 6.205 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.550 4.221 4.978 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.226 3.565 7.178 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.812 4.317 7.890 1.00 0.00 H new ATOM 916 N ASP A 61 -13.260 1.423 3.668 1.00 0.00 N ATOM 917 CA ASP A 61 -13.551 1.180 2.265 1.00 0.00 C ATOM 918 C ASP A 61 -13.162 2.413 1.447 1.00 0.00 C ATOM 919 O ASP A 61 -13.431 3.543 1.854 1.00 0.00 O ATOM 920 CB ASP A 61 -15.044 0.922 2.049 1.00 0.00 C ATOM 921 CG ASP A 61 -15.723 0.100 3.146 1.00 0.00 C ATOM 922 OD1 ASP A 61 -15.339 -1.080 3.292 1.00 0.00 O ATOM 923 OD2 ASP A 61 -16.612 0.672 3.815 1.00 0.00 O ATOM 0 H ASP A 61 -13.991 1.124 4.313 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.984 0.304 1.950 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.555 1.881 1.966 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.175 0.408 1.097 1.00 0.00 H new ATOM 928 N PRO A 62 -12.517 2.148 0.279 1.00 0.00 N ATOM 929 CA PRO A 62 -12.088 3.223 -0.599 1.00 0.00 C ATOM 930 C PRO A 62 -13.277 3.824 -1.351 1.00 0.00 C ATOM 931 O PRO A 62 -13.110 4.745 -2.149 1.00 0.00 O ATOM 932 CB PRO A 62 -11.060 2.589 -1.522 1.00 0.00 C ATOM 933 CG PRO A 62 -11.290 1.089 -1.436 1.00 0.00 C ATOM 934 CD PRO A 62 -12.182 0.823 -0.234 1.00 0.00 C ATOM 0 HA PRO A 62 -11.653 4.062 -0.056 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.182 2.945 -2.545 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.047 2.847 -1.214 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.759 0.722 -2.349 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.341 0.563 -1.331 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -13.077 0.271 -0.520 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.666 0.226 0.518 1.00 0.00 H new ATOM 942 N ARG A 63 -14.451 3.277 -1.071 1.00 0.00 N ATOM 943 CA ARG A 63 -15.667 3.748 -1.712 1.00 0.00 C ATOM 944 C ARG A 63 -16.292 4.882 -0.896 1.00 0.00 C ATOM 945 O ARG A 63 -16.871 5.810 -1.459 1.00 0.00 O ATOM 946 CB ARG A 63 -16.685 2.616 -1.860 1.00 0.00 C ATOM 947 CG ARG A 63 -16.075 1.423 -2.599 1.00 0.00 C ATOM 948 CD ARG A 63 -16.304 0.123 -1.824 1.00 0.00 C ATOM 949 NE ARG A 63 -17.013 -0.856 -2.678 1.00 0.00 N ATOM 950 CZ ARG A 63 -17.086 -2.168 -2.414 1.00 0.00 C ATOM 951 NH1 ARG A 63 -16.494 -2.666 -1.321 1.00 0.00 N ATOM 952 NH2 ARG A 63 -17.752 -2.982 -3.245 1.00 0.00 N ATOM 0 H ARG A 63 -14.586 2.513 -0.409 1.00 0.00 H new ATOM 0 HA ARG A 63 -15.399 4.113 -2.703 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -17.029 2.301 -0.875 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -17.559 2.977 -2.403 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -16.517 1.341 -3.592 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -15.006 1.584 -2.738 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -15.349 -0.290 -1.499 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -16.887 0.323 -0.925 1.00 0.00 H new ATOM 0 HE ARG A 63 -17.475 -0.511 -3.520 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -15.987 -2.047 -0.689 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -16.550 -3.665 -1.121 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -18.203 -2.603 -4.078 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -17.808 -3.981 -3.045 1.00 0.00 H new ATOM 966 N THR A 64 -16.153 4.770 0.417 1.00 0.00 N ATOM 967 CA THR A 64 -16.696 5.775 1.315 1.00 0.00 C ATOM 968 C THR A 64 -15.565 6.522 2.026 1.00 0.00 C ATOM 969 O THR A 64 -15.761 7.635 2.511 1.00 0.00 O ATOM 970 CB THR A 64 -17.661 5.077 2.276 1.00 0.00 C ATOM 971 OG1 THR A 64 -16.808 4.433 3.218 1.00 0.00 O ATOM 972 CG2 THR A 64 -18.419 3.926 1.611 1.00 0.00 C ATOM 0 H THR A 64 -15.672 3.999 0.880 1.00 0.00 H new ATOM 0 HA THR A 64 -17.252 6.536 0.768 1.00 0.00 H new ATOM 0 HB THR A 64 -18.374 5.804 2.666 1.00 0.00 H new ATOM 0 HG1 THR A 64 -17.352 3.957 3.880 1.00 0.00 H new ATOM 0 HG21 THR A 64 -19.090 3.465 2.336 1.00 0.00 H new ATOM 0 HG22 THR A 64 -19.000 4.309 0.772 1.00 0.00 H new ATOM 0 HG23 THR A 64 -17.708 3.182 1.250 1.00 0.00 H new ATOM 980 N ALA A 65 -14.408 5.879 2.065 1.00 0.00 N ATOM 981 CA ALA A 65 -13.246 6.469 2.708 1.00 0.00 C ATOM 982 C ALA A 65 -13.190 7.962 2.381 1.00 0.00 C ATOM 983 O ALA A 65 -13.469 8.365 1.253 1.00 0.00 O ATOM 984 CB ALA A 65 -11.984 5.727 2.263 1.00 0.00 C ATOM 0 H ALA A 65 -14.250 4.955 1.662 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.317 6.371 3.791 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.113 6.170 2.745 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -12.061 4.677 2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.879 5.805 1.181 1.00 0.00 H new ATOM 990 N SER A 66 -12.829 8.743 3.389 1.00 0.00 N ATOM 991 CA SER A 66 -12.733 10.184 3.222 1.00 0.00 C ATOM 992 C SER A 66 -11.518 10.531 2.360 1.00 0.00 C ATOM 993 O SER A 66 -10.553 9.771 2.306 1.00 0.00 O ATOM 994 CB SER A 66 -12.643 10.890 4.576 1.00 0.00 C ATOM 995 OG SER A 66 -13.922 11.299 5.051 1.00 0.00 O ATOM 0 H SER A 66 -12.600 8.406 4.324 1.00 0.00 H new ATOM 0 HA SER A 66 -13.636 10.532 2.721 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.183 10.221 5.304 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.993 11.761 4.488 1.00 0.00 H new ATOM 0 HG SER A 66 -13.822 11.744 5.918 1.00 0.00 H new ATOM 1001 N GLN A 67 -11.605 11.681 1.707 1.00 0.00 N ATOM 1002 CA GLN A 67 -10.525 12.139 0.850 1.00 0.00 C ATOM 1003 C GLN A 67 -9.181 11.995 1.568 1.00 0.00 C ATOM 1004 O GLN A 67 -8.181 11.628 0.953 1.00 0.00 O ATOM 1005 CB GLN A 67 -10.755 13.583 0.401 1.00 0.00 C ATOM 1006 CG GLN A 67 -11.151 13.641 -1.076 1.00 0.00 C ATOM 1007 CD GLN A 67 -11.426 15.082 -1.513 1.00 0.00 C ATOM 1008 OE1 GLN A 67 -10.673 15.998 -1.228 1.00 0.00 O ATOM 1009 NE2 GLN A 67 -12.544 15.229 -2.218 1.00 0.00 N ATOM 0 H GLN A 67 -12.407 12.309 1.754 1.00 0.00 H new ATOM 0 HA GLN A 67 -10.507 11.515 -0.043 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -11.538 14.037 1.009 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.848 14.166 0.561 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -10.354 13.218 -1.687 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.039 13.031 -1.243 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.129 14.419 -2.421 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -12.816 16.152 -2.556 1.00 0.00 H new ATOM 1018 N SER A 68 -9.201 12.293 2.858 1.00 0.00 N ATOM 1019 CA SER A 68 -7.997 12.202 3.666 1.00 0.00 C ATOM 1020 C SER A 68 -7.387 10.805 3.540 1.00 0.00 C ATOM 1021 O SER A 68 -6.192 10.666 3.281 1.00 0.00 O ATOM 1022 CB SER A 68 -8.292 12.522 5.133 1.00 0.00 C ATOM 1023 OG SER A 68 -7.876 13.839 5.486 1.00 0.00 O ATOM 0 H SER A 68 -10.032 12.598 3.364 1.00 0.00 H new ATOM 0 HA SER A 68 -7.282 12.938 3.299 1.00 0.00 H new ATOM 0 HB2 SER A 68 -9.361 12.417 5.319 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.785 11.798 5.771 1.00 0.00 H new ATOM 0 HG SER A 68 -8.083 14.006 6.429 1.00 0.00 H new ATOM 1029 N LEU A 69 -8.235 9.804 3.730 1.00 0.00 N ATOM 1030 CA LEU A 69 -7.794 8.423 3.641 1.00 0.00 C ATOM 1031 C LEU A 69 -7.508 8.076 2.178 1.00 0.00 C ATOM 1032 O LEU A 69 -6.416 7.617 1.847 1.00 0.00 O ATOM 1033 CB LEU A 69 -8.810 7.492 4.306 1.00 0.00 C ATOM 1034 CG LEU A 69 -8.228 6.357 5.151 1.00 0.00 C ATOM 1035 CD1 LEU A 69 -9.282 5.787 6.102 1.00 0.00 C ATOM 1036 CD2 LEU A 69 -7.610 5.275 4.265 1.00 0.00 C ATOM 0 H LEU A 69 -9.225 9.923 3.945 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.862 8.285 4.190 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.462 8.092 4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.436 7.055 3.528 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.426 6.765 5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.843 4.982 6.691 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.634 6.574 6.769 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.121 5.398 5.525 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.204 4.480 4.891 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.375 4.863 3.607 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.810 5.709 3.665 1.00 0.00 H new ATOM 1048 N LEU A 70 -8.508 8.310 1.341 1.00 0.00 N ATOM 1049 CA LEU A 70 -8.378 8.028 -0.078 1.00 0.00 C ATOM 1050 C LEU A 70 -7.014 8.519 -0.568 1.00 0.00 C ATOM 1051 O LEU A 70 -6.321 7.812 -1.298 1.00 0.00 O ATOM 1052 CB LEU A 70 -9.558 8.618 -0.852 1.00 0.00 C ATOM 1053 CG LEU A 70 -10.738 7.676 -1.097 1.00 0.00 C ATOM 1054 CD1 LEU A 70 -11.922 8.427 -1.710 1.00 0.00 C ATOM 1055 CD2 LEU A 70 -10.316 6.478 -1.951 1.00 0.00 C ATOM 0 H LEU A 70 -9.412 8.692 1.619 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.414 6.954 -0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.922 9.491 -0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.194 8.971 -1.817 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.068 7.285 -0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.747 7.734 -1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.242 9.218 -1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.622 8.865 -2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.174 5.824 -2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.945 6.830 -2.913 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.529 5.925 -1.439 1.00 0.00 H new ATOM 1067 N VAL A 71 -6.670 9.727 -0.146 1.00 0.00 N ATOM 1068 CA VAL A 71 -5.401 10.321 -0.533 1.00 0.00 C ATOM 1069 C VAL A 71 -4.277 9.311 -0.295 1.00 0.00 C ATOM 1070 O VAL A 71 -3.375 9.174 -1.121 1.00 0.00 O ATOM 1071 CB VAL A 71 -5.190 11.638 0.216 1.00 0.00 C ATOM 1072 CG1 VAL A 71 -3.701 11.965 0.343 1.00 0.00 C ATOM 1073 CG2 VAL A 71 -5.946 12.782 -0.464 1.00 0.00 C ATOM 0 H VAL A 71 -7.247 10.310 0.460 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.401 10.563 -1.596 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.594 11.520 1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.580 12.906 0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.199 11.168 0.891 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.262 12.055 -0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.779 13.707 0.088 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.586 12.899 -1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.012 12.555 -0.479 1.00 0.00 H new ATOM 1083 N ASN A 72 -4.366 8.631 0.839 1.00 0.00 N ATOM 1084 CA ASN A 72 -3.367 7.638 1.196 1.00 0.00 C ATOM 1085 C ASN A 72 -3.630 6.351 0.411 1.00 0.00 C ATOM 1086 O ASN A 72 -2.724 5.808 -0.218 1.00 0.00 O ATOM 1087 CB ASN A 72 -3.432 7.304 2.688 1.00 0.00 C ATOM 1088 CG ASN A 72 -2.923 8.472 3.534 1.00 0.00 C ATOM 1089 OD1 ASN A 72 -1.886 9.057 3.271 1.00 0.00 O ATOM 1090 ND2 ASN A 72 -3.709 8.777 4.563 1.00 0.00 N ATOM 0 H ASN A 72 -5.114 8.748 1.522 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.385 8.047 0.960 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -4.459 7.069 2.967 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.835 6.415 2.892 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.456 9.542 5.189 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.564 8.246 4.726 1.00 0.00 H new ATOM 1097 N LEU A 73 -4.875 5.901 0.474 1.00 0.00 N ATOM 1098 CA LEU A 73 -5.268 4.688 -0.223 1.00 0.00 C ATOM 1099 C LEU A 73 -4.740 4.736 -1.658 1.00 0.00 C ATOM 1100 O LEU A 73 -4.076 3.804 -2.110 1.00 0.00 O ATOM 1101 CB LEU A 73 -6.781 4.484 -0.131 1.00 0.00 C ATOM 1102 CG LEU A 73 -7.376 4.499 1.279 1.00 0.00 C ATOM 1103 CD1 LEU A 73 -8.892 4.298 1.237 1.00 0.00 C ATOM 1104 CD2 LEU A 73 -6.686 3.469 2.176 1.00 0.00 C ATOM 0 H LEU A 73 -5.624 6.355 0.997 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.822 3.814 0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.269 5.262 -0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.028 3.531 -0.598 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.194 5.481 1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.289 4.313 2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.349 5.099 0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.119 3.338 0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.127 3.500 3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.816 2.473 1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.623 3.699 2.243 1.00 0.00 H new ATOM 1116 N ARG A 74 -5.054 5.831 -2.334 1.00 0.00 N ATOM 1117 CA ARG A 74 -4.620 6.012 -3.709 1.00 0.00 C ATOM 1118 C ARG A 74 -3.094 5.945 -3.796 1.00 0.00 C ATOM 1119 O ARG A 74 -2.548 5.301 -4.690 1.00 0.00 O ATOM 1120 CB ARG A 74 -5.097 7.355 -4.265 1.00 0.00 C ATOM 1121 CG ARG A 74 -6.431 7.202 -4.998 1.00 0.00 C ATOM 1122 CD ARG A 74 -7.166 8.541 -5.085 1.00 0.00 C ATOM 1123 NE ARG A 74 -8.257 8.457 -6.082 1.00 0.00 N ATOM 1124 CZ ARG A 74 -9.191 9.401 -6.255 1.00 0.00 C ATOM 1125 NH1 ARG A 74 -9.174 10.507 -5.499 1.00 0.00 N ATOM 1126 NH2 ARG A 74 -10.143 9.240 -7.184 1.00 0.00 N ATOM 0 H ARG A 74 -5.604 6.602 -1.955 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.057 5.210 -4.303 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.205 8.072 -3.451 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.348 7.757 -4.947 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.256 6.813 -6.001 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -7.054 6.474 -4.478 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.574 8.805 -4.109 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.468 9.331 -5.363 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.300 7.628 -6.675 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.450 10.630 -4.792 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.885 11.226 -5.631 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.157 8.398 -7.760 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.854 9.959 -7.315 1.00 0.00 H new ATOM 1140 N ALA A 75 -2.449 6.620 -2.856 1.00 0.00 N ATOM 1141 CA ALA A 75 -0.997 6.645 -2.816 1.00 0.00 C ATOM 1142 C ALA A 75 -0.468 5.211 -2.747 1.00 0.00 C ATOM 1143 O ALA A 75 0.312 4.791 -3.600 1.00 0.00 O ATOM 1144 CB ALA A 75 -0.533 7.496 -1.632 1.00 0.00 C ATOM 0 H ALA A 75 -2.905 7.154 -2.116 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.596 7.101 -3.721 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.556 7.515 -1.602 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.910 8.512 -1.744 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.914 7.068 -0.705 1.00 0.00 H new ATOM 1150 N MET A 76 -0.913 4.499 -1.722 1.00 0.00 N ATOM 1151 CA MET A 76 -0.495 3.121 -1.530 1.00 0.00 C ATOM 1152 C MET A 76 -0.570 2.337 -2.842 1.00 0.00 C ATOM 1153 O MET A 76 0.450 1.887 -3.360 1.00 0.00 O ATOM 1154 CB MET A 76 -1.392 2.455 -0.485 1.00 0.00 C ATOM 1155 CG MET A 76 -1.064 2.960 0.921 1.00 0.00 C ATOM 1156 SD MET A 76 -2.183 2.234 2.107 1.00 0.00 S ATOM 1157 CE MET A 76 -3.207 3.649 2.474 1.00 0.00 C ATOM 0 H MET A 76 -1.559 4.851 -1.016 1.00 0.00 H new ATOM 0 HA MET A 76 0.539 3.120 -1.187 1.00 0.00 H new ATOM 0 HB2 MET A 76 -2.438 2.660 -0.714 1.00 0.00 H new ATOM 0 HB3 MET A 76 -1.263 1.373 -0.526 1.00 0.00 H new ATOM 0 HG2 MET A 76 -0.035 2.706 1.177 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.142 4.047 0.953 1.00 0.00 H new ATOM 0 HE1 MET A 76 -4.077 3.329 3.047 1.00 0.00 H new ATOM 0 HE2 MET A 76 -2.634 4.371 3.056 1.00 0.00 H new ATOM 0 HE3 MET A 76 -3.536 4.112 1.543 1.00 0.00 H new ATOM 1167 N GLN A 77 -1.790 2.198 -3.342 1.00 0.00 N ATOM 1168 CA GLN A 77 -2.012 1.477 -4.583 1.00 0.00 C ATOM 1169 C GLN A 77 -1.048 1.971 -5.664 1.00 0.00 C ATOM 1170 O GLN A 77 -0.697 1.224 -6.576 1.00 0.00 O ATOM 1171 CB GLN A 77 -3.465 1.609 -5.042 1.00 0.00 C ATOM 1172 CG GLN A 77 -3.711 0.810 -6.323 1.00 0.00 C ATOM 1173 CD GLN A 77 -4.552 -0.437 -6.038 1.00 0.00 C ATOM 1174 OE1 GLN A 77 -5.635 -0.621 -6.569 1.00 0.00 O ATOM 1175 NE2 GLN A 77 -3.995 -1.279 -5.173 1.00 0.00 N ATOM 0 H GLN A 77 -2.634 2.573 -2.910 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.817 0.419 -4.405 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.132 1.256 -4.255 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.702 2.659 -5.213 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.220 1.437 -7.055 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.757 0.517 -6.762 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.085 -1.064 -4.765 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.477 -2.140 -4.917 1.00 0.00 H new ATOM 1184 N ASN A 78 -0.648 3.226 -5.526 1.00 0.00 N ATOM 1185 CA ASN A 78 0.268 3.829 -6.479 1.00 0.00 C ATOM 1186 C ASN A 78 1.667 3.243 -6.276 1.00 0.00 C ATOM 1187 O ASN A 78 2.412 3.059 -7.237 1.00 0.00 O ATOM 1188 CB ASN A 78 0.357 5.343 -6.277 1.00 0.00 C ATOM 1189 CG ASN A 78 0.166 6.085 -7.601 1.00 0.00 C ATOM 1190 OD1 ASN A 78 0.229 5.514 -8.677 1.00 0.00 O ATOM 1191 ND2 ASN A 78 -0.071 7.386 -7.463 1.00 0.00 N ATOM 0 H ASN A 78 -0.942 3.842 -4.768 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.104 3.620 -7.482 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.402 5.664 -5.564 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.326 5.600 -5.848 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.213 7.969 -8.288 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.111 7.801 -6.532 1.00 0.00 H new ATOM 1198 N PHE A 79 1.981 2.965 -5.019 1.00 0.00 N ATOM 1199 CA PHE A 79 3.277 2.403 -4.678 1.00 0.00 C ATOM 1200 C PHE A 79 3.327 0.907 -4.996 1.00 0.00 C ATOM 1201 O PHE A 79 4.334 0.408 -5.495 1.00 0.00 O ATOM 1202 CB PHE A 79 3.468 2.600 -3.173 1.00 0.00 C ATOM 1203 CG PHE A 79 4.725 1.932 -2.613 1.00 0.00 C ATOM 1204 CD1 PHE A 79 5.955 2.404 -2.952 1.00 0.00 C ATOM 1205 CD2 PHE A 79 4.613 0.866 -1.775 1.00 0.00 C ATOM 1206 CE1 PHE A 79 7.121 1.784 -2.432 1.00 0.00 C ATOM 1207 CE2 PHE A 79 5.780 0.246 -1.255 1.00 0.00 C ATOM 1208 CZ PHE A 79 7.009 0.718 -1.594 1.00 0.00 C ATOM 0 H PHE A 79 1.360 3.118 -4.224 1.00 0.00 H new ATOM 0 HA PHE A 79 4.060 2.896 -5.255 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.511 3.668 -2.959 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.596 2.205 -2.652 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.044 3.250 -3.617 1.00 0.00 H new ATOM 0 HD2 PHE A 79 3.637 0.491 -1.505 1.00 0.00 H new ATOM 0 HE1 PHE A 79 8.097 2.158 -2.702 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.691 -0.601 -0.590 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.896 0.247 -1.198 1.00 0.00 H new ATOM 1218 N LEU A 80 2.227 0.234 -4.693 1.00 0.00 N ATOM 1219 CA LEU A 80 2.133 -1.195 -4.939 1.00 0.00 C ATOM 1220 C LEU A 80 2.236 -1.457 -6.443 1.00 0.00 C ATOM 1221 O LEU A 80 2.422 -2.596 -6.867 1.00 0.00 O ATOM 1222 CB LEU A 80 0.865 -1.766 -4.301 1.00 0.00 C ATOM 1223 CG LEU A 80 0.744 -1.602 -2.785 1.00 0.00 C ATOM 1224 CD1 LEU A 80 -0.671 -1.934 -2.309 1.00 0.00 C ATOM 1225 CD2 LEU A 80 1.803 -2.432 -2.057 1.00 0.00 C ATOM 0 H LEU A 80 1.393 0.652 -4.279 1.00 0.00 H new ATOM 0 HA LEU A 80 2.964 -1.719 -4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.002 -1.291 -4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.810 -2.829 -4.537 1.00 0.00 H new ATOM 0 HG LEU A 80 0.930 -0.556 -2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.730 -1.809 -1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.383 -1.264 -2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.910 -2.965 -2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.694 -2.297 -0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.674 -3.485 -2.306 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.796 -2.106 -2.365 1.00 0.00 H new ATOM 1237 N ASN A 81 2.111 -0.382 -7.208 1.00 0.00 N ATOM 1238 CA ASN A 81 2.188 -0.481 -8.656 1.00 0.00 C ATOM 1239 C ASN A 81 3.657 -0.512 -9.083 1.00 0.00 C ATOM 1240 O ASN A 81 3.996 -1.094 -10.112 1.00 0.00 O ATOM 1241 CB ASN A 81 1.525 0.724 -9.326 1.00 0.00 C ATOM 1242 CG ASN A 81 0.000 0.604 -9.285 1.00 0.00 C ATOM 1243 OD1 ASN A 81 -0.561 -0.473 -9.164 1.00 0.00 O ATOM 1244 ND2 ASN A 81 -0.636 1.767 -9.394 1.00 0.00 N ATOM 0 H ASN A 81 1.957 0.562 -6.852 1.00 0.00 H new ATOM 0 HA ASN A 81 1.672 -1.391 -8.960 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.835 1.640 -8.823 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.860 0.799 -10.361 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.656 1.794 -9.379 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.104 2.632 -9.493 1.00 0.00 H new ATOM 1251 N LEU A 82 4.489 0.123 -8.271 1.00 0.00 N ATOM 1252 CA LEU A 82 5.914 0.177 -8.552 1.00 0.00 C ATOM 1253 C LEU A 82 6.418 -1.231 -8.878 1.00 0.00 C ATOM 1254 O LEU A 82 5.753 -2.219 -8.570 1.00 0.00 O ATOM 1255 CB LEU A 82 6.663 0.847 -7.399 1.00 0.00 C ATOM 1256 CG LEU A 82 6.602 2.375 -7.358 1.00 0.00 C ATOM 1257 CD1 LEU A 82 7.586 2.936 -6.330 1.00 0.00 C ATOM 1258 CD2 LEU A 82 6.825 2.971 -8.749 1.00 0.00 C ATOM 0 H LEU A 82 4.204 0.605 -7.418 1.00 0.00 H new ATOM 0 HA LEU A 82 6.107 0.796 -9.428 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.264 0.462 -6.460 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.709 0.546 -7.448 1.00 0.00 H new ATOM 0 HG LEU A 82 5.602 2.668 -7.039 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.522 4.024 -6.321 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.338 2.550 -5.341 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.600 2.634 -6.594 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.777 4.058 -8.691 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.805 2.671 -9.121 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.053 2.609 -9.428 1.00 0.00 H new ATOM 1270 N PRO A 83 7.620 -1.279 -9.512 1.00 0.00 N ATOM 1271 CA PRO A 83 8.221 -2.549 -9.882 1.00 0.00 C ATOM 1272 C PRO A 83 8.800 -3.259 -8.657 1.00 0.00 C ATOM 1273 O PRO A 83 9.498 -2.646 -7.851 1.00 0.00 O ATOM 1274 CB PRO A 83 9.276 -2.198 -10.918 1.00 0.00 C ATOM 1275 CG PRO A 83 9.547 -0.712 -10.750 1.00 0.00 C ATOM 1276 CD PRO A 83 8.436 -0.129 -9.891 1.00 0.00 C ATOM 0 HA PRO A 83 7.497 -3.253 -10.293 1.00 0.00 H new ATOM 0 HB2 PRO A 83 10.184 -2.781 -10.763 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.923 -2.419 -11.925 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.517 -0.552 -10.280 1.00 0.00 H new ATOM 0 HG3 PRO A 83 9.578 -0.218 -11.721 1.00 0.00 H new ATOM 0 HD2 PRO A 83 8.838 0.378 -9.014 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.852 0.606 -10.444 1.00 0.00 H new ATOM 1284 N GLU A 84 8.489 -4.543 -8.555 1.00 0.00 N ATOM 1285 CA GLU A 84 8.969 -5.344 -7.441 1.00 0.00 C ATOM 1286 C GLU A 84 10.449 -5.056 -7.181 1.00 0.00 C ATOM 1287 O GLU A 84 10.876 -4.971 -6.030 1.00 0.00 O ATOM 1288 CB GLU A 84 8.737 -6.834 -7.697 1.00 0.00 C ATOM 1289 CG GLU A 84 8.873 -7.162 -9.185 1.00 0.00 C ATOM 1290 CD GLU A 84 9.542 -8.524 -9.388 1.00 0.00 C ATOM 1291 OE1 GLU A 84 9.068 -9.489 -8.750 1.00 0.00 O ATOM 1292 OE2 GLU A 84 10.512 -8.568 -10.175 1.00 0.00 O ATOM 0 H GLU A 84 7.910 -5.049 -9.226 1.00 0.00 H new ATOM 0 HA GLU A 84 8.403 -5.070 -6.551 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.455 -7.421 -7.124 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.744 -7.116 -7.348 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.888 -7.163 -9.652 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.459 -6.388 -9.680 1.00 0.00 H new ATOM 1299 N VAL A 85 11.192 -4.913 -8.268 1.00 0.00 N ATOM 1300 CA VAL A 85 12.615 -4.637 -8.172 1.00 0.00 C ATOM 1301 C VAL A 85 12.827 -3.340 -7.389 1.00 0.00 C ATOM 1302 O VAL A 85 13.753 -3.239 -6.585 1.00 0.00 O ATOM 1303 CB VAL A 85 13.237 -4.600 -9.569 1.00 0.00 C ATOM 1304 CG1 VAL A 85 12.574 -5.624 -10.492 1.00 0.00 C ATOM 1305 CG2 VAL A 85 13.161 -3.193 -10.166 1.00 0.00 C ATOM 0 H VAL A 85 10.835 -4.983 -9.221 1.00 0.00 H new ATOM 0 HA VAL A 85 13.122 -5.433 -7.626 1.00 0.00 H new ATOM 0 HB VAL A 85 14.289 -4.867 -9.474 1.00 0.00 H new ATOM 0 HG11 VAL A 85 13.035 -5.577 -11.479 1.00 0.00 H new ATOM 0 HG12 VAL A 85 12.704 -6.624 -10.079 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.510 -5.402 -10.577 1.00 0.00 H new ATOM 0 HG21 VAL A 85 13.610 -3.194 -11.159 1.00 0.00 H new ATOM 0 HG22 VAL A 85 12.118 -2.885 -10.240 1.00 0.00 H new ATOM 0 HG23 VAL A 85 13.701 -2.496 -9.525 1.00 0.00 H new ATOM 1315 N GLU A 86 11.952 -2.379 -7.650 1.00 0.00 N ATOM 1316 CA GLU A 86 12.031 -1.092 -6.980 1.00 0.00 C ATOM 1317 C GLU A 86 11.623 -1.232 -5.512 1.00 0.00 C ATOM 1318 O GLU A 86 12.403 -0.917 -4.615 1.00 0.00 O ATOM 1319 CB GLU A 86 11.168 -0.049 -7.692 1.00 0.00 C ATOM 1320 CG GLU A 86 12.021 0.845 -8.594 1.00 0.00 C ATOM 1321 CD GLU A 86 13.182 1.464 -7.813 1.00 0.00 C ATOM 1322 OE1 GLU A 86 12.908 2.413 -7.046 1.00 0.00 O ATOM 1323 OE2 GLU A 86 14.317 0.975 -7.999 1.00 0.00 O ATOM 0 H GLU A 86 11.185 -2.466 -8.316 1.00 0.00 H new ATOM 0 HA GLU A 86 13.064 -0.747 -7.018 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.404 -0.549 -8.287 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.648 0.563 -6.955 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.410 0.261 -9.428 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.402 1.635 -9.019 1.00 0.00 H new ATOM 1330 N ARG A 87 10.401 -1.705 -5.314 1.00 0.00 N ATOM 1331 CA ARG A 87 9.880 -1.891 -3.970 1.00 0.00 C ATOM 1332 C ARG A 87 10.926 -2.570 -3.084 1.00 0.00 C ATOM 1333 O ARG A 87 11.114 -2.183 -1.931 1.00 0.00 O ATOM 1334 CB ARG A 87 8.607 -2.739 -3.986 1.00 0.00 C ATOM 1335 CG ARG A 87 7.621 -2.228 -5.038 1.00 0.00 C ATOM 1336 CD ARG A 87 6.175 -2.454 -4.591 1.00 0.00 C ATOM 1337 NE ARG A 87 5.615 -3.643 -5.271 1.00 0.00 N ATOM 1338 CZ ARG A 87 5.862 -4.907 -4.901 1.00 0.00 C ATOM 1339 NH1 ARG A 87 6.662 -5.154 -3.855 1.00 0.00 N ATOM 1340 NH2 ARG A 87 5.310 -5.923 -5.577 1.00 0.00 N ATOM 0 H ARG A 87 9.757 -1.965 -6.061 1.00 0.00 H new ATOM 0 HA ARG A 87 9.642 -0.906 -3.567 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.861 -3.778 -4.195 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.138 -2.717 -3.002 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.789 -1.165 -5.213 1.00 0.00 H new ATOM 0 HG3 ARG A 87 7.797 -2.739 -5.985 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.137 -2.591 -3.510 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.573 -1.575 -4.822 1.00 0.00 H new ATOM 0 HE ARG A 87 5.002 -3.491 -6.072 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.083 -4.380 -3.341 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.850 -6.116 -3.573 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.701 -5.735 -6.374 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.498 -6.885 -5.295 1.00 0.00 H new ATOM 1354 N ASP A 88 11.580 -3.570 -3.656 1.00 0.00 N ATOM 1355 CA ASP A 88 12.603 -4.307 -2.932 1.00 0.00 C ATOM 1356 C ASP A 88 13.722 -3.348 -2.523 1.00 0.00 C ATOM 1357 O ASP A 88 14.210 -3.404 -1.395 1.00 0.00 O ATOM 1358 CB ASP A 88 13.215 -5.402 -3.807 1.00 0.00 C ATOM 1359 CG ASP A 88 12.445 -6.724 -3.821 1.00 0.00 C ATOM 1360 OD1 ASP A 88 11.213 -6.661 -4.020 1.00 0.00 O ATOM 1361 OD2 ASP A 88 13.106 -7.768 -3.633 1.00 0.00 O ATOM 0 H ASP A 88 11.422 -3.888 -4.612 1.00 0.00 H new ATOM 0 HA ASP A 88 12.137 -4.762 -2.058 1.00 0.00 H new ATOM 0 HB2 ASP A 88 13.288 -5.031 -4.829 1.00 0.00 H new ATOM 0 HB3 ASP A 88 14.232 -5.595 -3.464 1.00 0.00 H new ATOM 1366 N ARG A 89 14.096 -2.490 -3.461 1.00 0.00 N ATOM 1367 CA ARG A 89 15.149 -1.520 -3.211 1.00 0.00 C ATOM 1368 C ARG A 89 14.643 -0.415 -2.282 1.00 0.00 C ATOM 1369 O ARG A 89 15.275 -0.111 -1.272 1.00 0.00 O ATOM 1370 CB ARG A 89 15.642 -0.894 -4.517 1.00 0.00 C ATOM 1371 CG ARG A 89 17.160 -1.024 -4.649 1.00 0.00 C ATOM 1372 CD ARG A 89 17.638 -0.513 -6.010 1.00 0.00 C ATOM 1373 NE ARG A 89 19.079 -0.805 -6.183 1.00 0.00 N ATOM 1374 CZ ARG A 89 19.799 -0.429 -7.249 1.00 0.00 C ATOM 1375 NH1 ARG A 89 19.217 0.254 -8.243 1.00 0.00 N ATOM 1376 NH2 ARG A 89 21.101 -0.737 -7.320 1.00 0.00 N ATOM 0 H ARG A 89 13.689 -2.446 -4.395 1.00 0.00 H new ATOM 0 HA ARG A 89 15.979 -2.045 -2.738 1.00 0.00 H new ATOM 0 HB2 ARG A 89 15.157 -1.380 -5.363 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.359 0.158 -4.549 1.00 0.00 H new ATOM 0 HG2 ARG A 89 17.647 -0.460 -3.853 1.00 0.00 H new ATOM 0 HG3 ARG A 89 17.451 -2.067 -4.525 1.00 0.00 H new ATOM 0 HD2 ARG A 89 17.064 -0.986 -6.807 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.464 0.560 -6.086 1.00 0.00 H new ATOM 0 HE ARG A 89 19.554 -1.325 -5.445 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.226 0.488 -8.189 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.765 0.540 -9.054 1.00 0.00 H new ATOM 0 HH21 ARG A 89 21.544 -1.258 -6.563 1.00 0.00 H new ATOM 0 HH22 ARG A 89 21.649 -0.451 -8.131 1.00 0.00 H new ATOM 1390 N ILE A 90 13.508 0.156 -2.658 1.00 0.00 N ATOM 1391 CA ILE A 90 12.910 1.221 -1.871 1.00 0.00 C ATOM 1392 C ILE A 90 12.962 0.846 -0.389 1.00 0.00 C ATOM 1393 O ILE A 90 13.490 1.599 0.428 1.00 0.00 O ATOM 1394 CB ILE A 90 11.501 1.535 -2.377 1.00 0.00 C ATOM 1395 CG1 ILE A 90 11.536 2.036 -3.822 1.00 0.00 C ATOM 1396 CG2 ILE A 90 10.791 2.520 -1.446 1.00 0.00 C ATOM 1397 CD1 ILE A 90 10.140 2.005 -4.447 1.00 0.00 C ATOM 0 H ILE A 90 12.987 -0.099 -3.497 1.00 0.00 H new ATOM 0 HA ILE A 90 13.478 2.144 -1.986 1.00 0.00 H new ATOM 0 HB ILE A 90 10.922 0.611 -2.371 1.00 0.00 H new ATOM 0 HG12 ILE A 90 11.928 3.053 -3.849 1.00 0.00 H new ATOM 0 HG13 ILE A 90 12.215 1.417 -4.409 1.00 0.00 H new ATOM 0 HG21 ILE A 90 9.791 2.726 -1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.716 2.088 -0.448 1.00 0.00 H new ATOM 0 HG23 ILE A 90 11.360 3.449 -1.397 1.00 0.00 H new ATOM 0 HD11 ILE A 90 10.193 2.366 -5.474 1.00 0.00 H new ATOM 0 HD12 ILE A 90 9.761 0.983 -4.441 1.00 0.00 H new ATOM 0 HD13 ILE A 90 9.470 2.644 -3.872 1.00 0.00 H new ATOM 1409 N TYR A 91 12.408 -0.319 -0.087 1.00 0.00 N ATOM 1410 CA TYR A 91 12.384 -0.804 1.283 1.00 0.00 C ATOM 1411 C TYR A 91 13.792 -0.829 1.880 1.00 0.00 C ATOM 1412 O TYR A 91 14.003 -0.369 3.001 1.00 0.00 O ATOM 1413 CB TYR A 91 11.847 -2.235 1.214 1.00 0.00 C ATOM 1414 CG TYR A 91 10.414 -2.338 0.689 1.00 0.00 C ATOM 1415 CD1 TYR A 91 9.516 -1.318 0.931 1.00 0.00 C ATOM 1416 CD2 TYR A 91 10.018 -3.450 -0.027 1.00 0.00 C ATOM 1417 CE1 TYR A 91 8.167 -1.414 0.437 1.00 0.00 C ATOM 1418 CE2 TYR A 91 8.669 -3.546 -0.521 1.00 0.00 C ATOM 1419 CZ TYR A 91 7.810 -2.523 -0.265 1.00 0.00 C ATOM 1420 OH TYR A 91 6.536 -2.614 -0.731 1.00 0.00 O ATOM 0 H TYR A 91 11.972 -0.941 -0.767 1.00 0.00 H new ATOM 0 HA TYR A 91 11.770 -0.156 1.909 1.00 0.00 H new ATOM 0 HB2 TYR A 91 12.501 -2.827 0.574 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.891 -2.677 2.209 1.00 0.00 H new ATOM 0 HD1 TYR A 91 9.825 -0.448 1.491 1.00 0.00 H new ATOM 0 HD2 TYR A 91 10.720 -4.248 -0.217 1.00 0.00 H new ATOM 0 HE1 TYR A 91 7.455 -0.623 0.620 1.00 0.00 H new ATOM 0 HE2 TYR A 91 8.347 -4.411 -1.082 1.00 0.00 H new ATOM 0 HH TYR A 91 6.335 -1.834 -1.289 1.00 0.00 H new ATOM 1430 N GLN A 92 14.720 -1.371 1.105 1.00 0.00 N ATOM 1431 CA GLN A 92 16.102 -1.461 1.543 1.00 0.00 C ATOM 1432 C GLN A 92 16.616 -0.084 1.967 1.00 0.00 C ATOM 1433 O GLN A 92 16.957 0.124 3.131 1.00 0.00 O ATOM 1434 CB GLN A 92 16.986 -2.063 0.449 1.00 0.00 C ATOM 1435 CG GLN A 92 18.467 -1.820 0.745 1.00 0.00 C ATOM 1436 CD GLN A 92 18.920 -2.619 1.969 1.00 0.00 C ATOM 1437 OE1 GLN A 92 18.416 -2.459 3.068 1.00 0.00 O ATOM 1438 NE2 GLN A 92 19.896 -3.487 1.717 1.00 0.00 N ATOM 0 H GLN A 92 14.541 -1.752 0.176 1.00 0.00 H new ATOM 0 HA GLN A 92 16.146 -2.125 2.406 1.00 0.00 H new ATOM 0 HB2 GLN A 92 16.798 -3.134 0.373 1.00 0.00 H new ATOM 0 HB3 GLN A 92 16.727 -1.624 -0.515 1.00 0.00 H new ATOM 0 HG2 GLN A 92 19.066 -2.103 -0.121 1.00 0.00 H new ATOM 0 HG3 GLN A 92 18.638 -0.757 0.917 1.00 0.00 H new ATOM 0 HE21 GLN A 92 20.273 -3.570 0.773 1.00 0.00 H new ATOM 0 HE22 GLN A 92 20.267 -4.069 2.468 1.00 0.00 H new ATOM 1447 N ASP A 93 16.654 0.822 1.001 1.00 0.00 N ATOM 1448 CA ASP A 93 17.121 2.173 1.260 1.00 0.00 C ATOM 1449 C ASP A 93 16.509 2.677 2.569 1.00 0.00 C ATOM 1450 O ASP A 93 17.227 3.127 3.460 1.00 0.00 O ATOM 1451 CB ASP A 93 16.695 3.126 0.142 1.00 0.00 C ATOM 1452 CG ASP A 93 17.785 4.084 -0.342 1.00 0.00 C ATOM 1453 OD1 ASP A 93 18.958 3.833 0.011 1.00 0.00 O ATOM 1454 OD2 ASP A 93 17.422 5.045 -1.055 1.00 0.00 O ATOM 0 H ASP A 93 16.369 0.647 0.037 1.00 0.00 H new ATOM 0 HA ASP A 93 18.209 2.149 1.319 1.00 0.00 H new ATOM 0 HB2 ASP A 93 16.349 2.535 -0.706 1.00 0.00 H new ATOM 0 HB3 ASP A 93 15.845 3.713 0.490 1.00 0.00 H new ATOM 1459 N GLU A 94 15.190 2.584 2.643 1.00 0.00 N ATOM 1460 CA GLU A 94 14.474 3.024 3.828 1.00 0.00 C ATOM 1461 C GLU A 94 15.067 2.373 5.079 1.00 0.00 C ATOM 1462 O GLU A 94 15.558 3.065 5.970 1.00 0.00 O ATOM 1463 CB GLU A 94 12.979 2.723 3.709 1.00 0.00 C ATOM 1464 CG GLU A 94 12.195 3.979 3.324 1.00 0.00 C ATOM 1465 CD GLU A 94 12.533 4.420 1.898 1.00 0.00 C ATOM 1466 OE1 GLU A 94 12.311 3.599 0.982 1.00 0.00 O ATOM 1467 OE2 GLU A 94 13.007 5.568 1.756 1.00 0.00 O ATOM 0 H GLU A 94 14.598 2.210 1.901 1.00 0.00 H new ATOM 0 HA GLU A 94 14.587 4.104 3.916 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.819 1.947 2.961 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.606 2.334 4.656 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.126 3.784 3.404 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.425 4.784 4.022 1.00 0.00 H new