USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 504 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 85 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 114:sc= 1.09 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 74 GLN : amide:sc= -0.763 K(o=-0.76,f=-2!) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 107:sc= 0.234 USER MOD Single : A 92 GLN : amide:sc= -0.0538 X(o=-0.054,f=-0.5) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N PRO A 16 0.038 19.421 -11.536 1.00 0.00 N ATOM 211 CA PRO A 16 -1.200 19.422 -10.715 1.00 0.00 C ATOM 212 C PRO A 16 -1.115 20.478 -9.606 1.00 0.00 C ATOM 213 O PRO A 16 -2.104 20.814 -8.985 1.00 0.00 O ATOM 214 CB PRO A 16 -1.245 18.013 -10.130 1.00 0.00 C ATOM 215 CG PRO A 16 0.177 17.551 -10.135 1.00 0.00 C ATOM 216 CD PRO A 16 0.841 18.211 -11.314 1.00 0.00 C ATOM 0 HA PRO A 16 -2.093 19.667 -11.290 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.656 18.017 -9.120 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.876 17.356 -10.729 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.676 17.825 -9.206 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.231 16.465 -10.218 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.882 18.455 -11.102 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.838 17.562 -12.190 1.00 0.00 H new ATOM 224 N SER A 17 0.055 21.003 -9.355 1.00 0.00 N ATOM 225 CA SER A 17 0.195 22.039 -8.288 1.00 0.00 C ATOM 226 C SER A 17 -0.619 23.286 -8.648 1.00 0.00 C ATOM 227 O SER A 17 -0.902 24.116 -7.806 1.00 0.00 O ATOM 228 CB SER A 17 1.686 22.367 -8.247 1.00 0.00 C ATOM 229 OG SER A 17 1.975 23.087 -7.055 1.00 0.00 O ATOM 0 H SER A 17 0.918 20.761 -9.841 1.00 0.00 H new ATOM 0 HA SER A 17 -0.172 21.689 -7.323 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.273 21.449 -8.283 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.964 22.958 -9.119 1.00 0.00 H new ATOM 0 HG SER A 17 2.931 23.298 -7.024 1.00 0.00 H new ATOM 235 N ALA A 18 -0.998 23.425 -9.893 1.00 0.00 N ATOM 236 CA ALA A 18 -1.793 24.620 -10.304 1.00 0.00 C ATOM 237 C ALA A 18 -3.243 24.493 -9.823 1.00 0.00 C ATOM 238 O ALA A 18 -4.006 25.438 -9.877 1.00 0.00 O ATOM 239 CB ALA A 18 -1.735 24.626 -11.833 1.00 0.00 C ATOM 0 H ALA A 18 -0.791 22.763 -10.641 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.400 25.541 -9.874 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.298 25.478 -12.215 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.697 24.702 -12.157 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.169 23.703 -12.217 1.00 0.00 H new ATOM 245 N ASP A 19 -3.631 23.335 -9.353 1.00 0.00 N ATOM 246 CA ASP A 19 -5.030 23.154 -8.870 1.00 0.00 C ATOM 247 C ASP A 19 -5.083 22.051 -7.814 1.00 0.00 C ATOM 248 O ASP A 19 -4.844 20.896 -8.108 1.00 0.00 O ATOM 249 CB ASP A 19 -5.833 22.755 -10.108 1.00 0.00 C ATOM 250 CG ASP A 19 -6.026 23.976 -11.010 1.00 0.00 C ATOM 251 OD1 ASP A 19 -6.744 24.877 -10.609 1.00 0.00 O ATOM 252 OD2 ASP A 19 -5.451 23.990 -12.087 1.00 0.00 O ATOM 0 H ASP A 19 -3.038 22.508 -9.283 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.427 24.057 -8.406 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.313 21.967 -10.652 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.802 22.353 -9.812 1.00 0.00 H new ATOM 257 N PRO A 20 -5.393 22.449 -6.609 1.00 0.00 N ATOM 258 CA PRO A 20 -5.474 21.483 -5.490 1.00 0.00 C ATOM 259 C PRO A 20 -6.741 20.632 -5.611 1.00 0.00 C ATOM 260 O PRO A 20 -6.735 19.450 -5.325 1.00 0.00 O ATOM 261 CB PRO A 20 -5.531 22.376 -4.258 1.00 0.00 C ATOM 262 CG PRO A 20 -6.094 23.673 -4.738 1.00 0.00 C ATOM 263 CD PRO A 20 -5.693 23.821 -6.178 1.00 0.00 C ATOM 0 HA PRO A 20 -4.641 20.781 -5.464 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -6.159 21.937 -3.483 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.540 22.513 -3.825 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -7.179 23.683 -4.637 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -5.711 24.503 -4.144 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.495 24.259 -6.772 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.825 24.471 -6.285 1.00 0.00 H new ATOM 271 N GLU A 21 -7.827 21.225 -6.033 1.00 0.00 N ATOM 272 CA GLU A 21 -9.094 20.449 -6.173 1.00 0.00 C ATOM 273 C GLU A 21 -8.954 19.412 -7.291 1.00 0.00 C ATOM 274 O GLU A 21 -9.314 18.262 -7.132 1.00 0.00 O ATOM 275 CB GLU A 21 -10.160 21.486 -6.535 1.00 0.00 C ATOM 276 CG GLU A 21 -11.550 20.898 -6.281 1.00 0.00 C ATOM 277 CD GLU A 21 -12.603 21.751 -6.991 1.00 0.00 C ATOM 278 OE1 GLU A 21 -12.486 21.922 -8.193 1.00 0.00 O ATOM 279 OE2 GLU A 21 -13.508 22.219 -6.320 1.00 0.00 O ATOM 0 H GLU A 21 -7.891 22.211 -6.286 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.348 19.906 -5.263 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.021 22.389 -5.940 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.061 21.775 -7.581 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.594 19.871 -6.644 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.753 20.867 -5.211 1.00 0.00 H new ATOM 286 N LEU A 22 -8.430 19.811 -8.418 1.00 0.00 N ATOM 287 CA LEU A 22 -8.262 18.850 -9.547 1.00 0.00 C ATOM 288 C LEU A 22 -7.184 17.818 -9.200 1.00 0.00 C ATOM 289 O LEU A 22 -7.221 16.692 -9.654 1.00 0.00 O ATOM 290 CB LEU A 22 -7.825 19.703 -10.739 1.00 0.00 C ATOM 291 CG LEU A 22 -9.057 20.283 -11.433 1.00 0.00 C ATOM 292 CD1 LEU A 22 -9.711 21.328 -10.526 1.00 0.00 C ATOM 293 CD2 LEU A 22 -8.637 20.944 -12.748 1.00 0.00 C ATOM 0 H LEU A 22 -8.111 20.761 -8.606 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.178 18.298 -9.760 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.172 20.508 -10.403 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.251 19.098 -11.441 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.768 19.483 -11.637 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.590 21.741 -11.022 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.010 20.860 -9.588 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.000 22.128 -10.321 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.515 21.358 -13.244 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.926 21.744 -12.542 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.171 20.202 -13.396 1.00 0.00 H new ATOM 305 N ALA A 23 -6.227 18.198 -8.395 1.00 0.00 N ATOM 306 CA ALA A 23 -5.147 17.240 -8.015 1.00 0.00 C ATOM 307 C ALA A 23 -5.741 16.055 -7.249 1.00 0.00 C ATOM 308 O ALA A 23 -5.398 14.914 -7.490 1.00 0.00 O ATOM 309 CB ALA A 23 -4.201 18.040 -7.118 1.00 0.00 C ATOM 0 H ALA A 23 -6.146 19.128 -7.985 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.632 16.832 -8.885 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.378 17.402 -6.797 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.805 18.890 -7.673 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.745 18.399 -6.244 1.00 0.00 H new ATOM 315 N LEU A 24 -6.631 16.319 -6.329 1.00 0.00 N ATOM 316 CA LEU A 24 -7.250 15.207 -5.550 1.00 0.00 C ATOM 317 C LEU A 24 -8.152 14.369 -6.460 1.00 0.00 C ATOM 318 O LEU A 24 -8.184 13.157 -6.373 1.00 0.00 O ATOM 319 CB LEU A 24 -8.077 15.895 -4.460 1.00 0.00 C ATOM 320 CG LEU A 24 -7.836 15.200 -3.117 1.00 0.00 C ATOM 321 CD1 LEU A 24 -8.506 16.001 -2.000 1.00 0.00 C ATOM 322 CD2 LEU A 24 -8.430 13.791 -3.160 1.00 0.00 C ATOM 0 H LEU A 24 -6.955 17.254 -6.084 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.505 14.532 -5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.802 16.948 -4.391 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.136 15.858 -4.715 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.765 15.138 -2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.334 15.506 -1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.084 17.006 -1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.578 16.063 -2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.259 13.295 -2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.501 13.854 -3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.953 13.219 -3.956 1.00 0.00 H new ATOM 334 N ALA A 25 -8.880 15.008 -7.337 1.00 0.00 N ATOM 335 CA ALA A 25 -9.778 14.250 -8.258 1.00 0.00 C ATOM 336 C ALA A 25 -8.945 13.373 -9.195 1.00 0.00 C ATOM 337 O ALA A 25 -9.340 12.282 -9.556 1.00 0.00 O ATOM 338 CB ALA A 25 -10.530 15.319 -9.053 1.00 0.00 C ATOM 0 H ALA A 25 -8.892 16.021 -7.456 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.460 13.590 -7.721 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.212 14.838 -9.754 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.098 15.949 -8.369 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.817 15.932 -9.604 1.00 0.00 H new ATOM 344 N LEU A 26 -7.791 13.843 -9.590 1.00 0.00 N ATOM 345 CA LEU A 26 -6.927 13.036 -10.502 1.00 0.00 C ATOM 346 C LEU A 26 -6.336 11.841 -9.750 1.00 0.00 C ATOM 347 O LEU A 26 -5.986 10.837 -10.340 1.00 0.00 O ATOM 348 CB LEU A 26 -5.818 13.992 -10.951 1.00 0.00 C ATOM 349 CG LEU A 26 -5.506 13.768 -12.435 1.00 0.00 C ATOM 350 CD1 LEU A 26 -5.086 12.313 -12.661 1.00 0.00 C ATOM 351 CD2 LEU A 26 -6.751 14.078 -13.277 1.00 0.00 C ATOM 0 H LEU A 26 -7.409 14.750 -9.321 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.483 12.634 -11.349 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.127 15.024 -10.787 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.921 13.829 -10.353 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.693 14.429 -12.734 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.865 12.158 -13.717 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.198 12.095 -12.069 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.896 11.649 -12.358 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.526 13.918 -14.331 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.567 13.421 -12.976 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.046 15.116 -13.122 1.00 0.00 H new ATOM 363 N ARG A 27 -6.230 11.937 -8.451 1.00 0.00 N ATOM 364 CA ARG A 27 -5.669 10.804 -7.662 1.00 0.00 C ATOM 365 C ARG A 27 -6.780 9.804 -7.345 1.00 0.00 C ATOM 366 O ARG A 27 -6.547 8.617 -7.232 1.00 0.00 O ATOM 367 CB ARG A 27 -5.133 11.440 -6.379 1.00 0.00 C ATOM 368 CG ARG A 27 -3.656 11.796 -6.564 1.00 0.00 C ATOM 369 CD ARG A 27 -3.053 12.191 -5.214 1.00 0.00 C ATOM 370 NE ARG A 27 -1.760 12.848 -5.548 1.00 0.00 N ATOM 371 CZ ARG A 27 -0.715 12.122 -5.843 1.00 0.00 C ATOM 372 NH1 ARG A 27 -0.376 11.124 -5.072 1.00 0.00 N ATOM 373 NH2 ARG A 27 -0.010 12.394 -6.907 1.00 0.00 N ATOM 0 H ARG A 27 -6.508 12.751 -7.903 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.889 10.263 -8.198 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.706 12.335 -6.137 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.250 10.751 -5.543 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.116 10.946 -6.981 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.555 12.617 -7.274 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.711 12.869 -4.671 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.900 11.318 -4.579 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.690 13.866 -5.547 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.927 10.912 -4.240 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.440 10.556 -5.302 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.275 13.174 -7.509 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.806 11.827 -7.137 1.00 0.00 H new ATOM 387 N VAL A 28 -7.989 10.280 -7.207 1.00 0.00 N ATOM 388 CA VAL A 28 -9.122 9.362 -6.904 1.00 0.00 C ATOM 389 C VAL A 28 -9.520 8.596 -8.169 1.00 0.00 C ATOM 390 O VAL A 28 -9.922 7.450 -8.111 1.00 0.00 O ATOM 391 CB VAL A 28 -10.262 10.270 -6.438 1.00 0.00 C ATOM 392 CG1 VAL A 28 -11.499 9.425 -6.129 1.00 0.00 C ATOM 393 CG2 VAL A 28 -9.832 11.020 -5.175 1.00 0.00 C ATOM 0 H VAL A 28 -8.239 11.265 -7.291 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.867 8.621 -6.147 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.499 10.985 -7.226 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -12.309 10.074 -5.797 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -11.807 8.889 -7.027 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -11.263 8.708 -5.342 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.643 11.667 -4.842 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.594 10.303 -4.389 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.952 11.625 -5.393 1.00 0.00 H new ATOM 403 N SER A 29 -9.407 9.221 -9.310 1.00 0.00 N ATOM 404 CA SER A 29 -9.773 8.531 -10.581 1.00 0.00 C ATOM 405 C SER A 29 -8.681 7.529 -10.963 1.00 0.00 C ATOM 406 O SER A 29 -8.960 6.429 -11.398 1.00 0.00 O ATOM 407 CB SER A 29 -9.875 9.642 -11.626 1.00 0.00 C ATOM 408 OG SER A 29 -11.235 10.028 -11.768 1.00 0.00 O ATOM 0 H SER A 29 -9.077 10.180 -9.417 1.00 0.00 H new ATOM 0 HA SER A 29 -10.705 7.972 -10.496 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.271 10.498 -11.324 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.481 9.296 -12.582 1.00 0.00 H new ATOM 0 HG SER A 29 -11.304 10.742 -12.436 1.00 0.00 H new ATOM 414 N MET A 30 -7.438 7.900 -10.797 1.00 0.00 N ATOM 415 CA MET A 30 -6.327 6.967 -11.144 1.00 0.00 C ATOM 416 C MET A 30 -6.361 5.752 -10.214 1.00 0.00 C ATOM 417 O MET A 30 -6.060 4.644 -10.612 1.00 0.00 O ATOM 418 CB MET A 30 -5.045 7.773 -10.929 1.00 0.00 C ATOM 419 CG MET A 30 -4.018 7.395 -11.998 1.00 0.00 C ATOM 420 SD MET A 30 -2.372 7.933 -11.473 1.00 0.00 S ATOM 421 CE MET A 30 -1.447 7.222 -12.856 1.00 0.00 C ATOM 0 H MET A 30 -7.145 8.808 -10.436 1.00 0.00 H new ATOM 0 HA MET A 30 -6.401 6.594 -12.165 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.261 8.840 -10.979 1.00 0.00 H new ATOM 0 HB3 MET A 30 -4.641 7.576 -9.936 1.00 0.00 H new ATOM 0 HG2 MET A 30 -4.025 6.317 -12.159 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.278 7.861 -12.948 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.386 7.438 -12.733 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.597 6.143 -12.877 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.800 7.656 -13.791 1.00 0.00 H new ATOM 431 N GLU A 31 -6.730 5.954 -8.977 1.00 0.00 N ATOM 432 CA GLU A 31 -6.792 4.813 -8.017 1.00 0.00 C ATOM 433 C GLU A 31 -8.017 3.945 -8.312 1.00 0.00 C ATOM 434 O GLU A 31 -7.991 2.741 -8.151 1.00 0.00 O ATOM 435 CB GLU A 31 -6.911 5.460 -6.636 1.00 0.00 C ATOM 436 CG GLU A 31 -6.181 4.598 -5.603 1.00 0.00 C ATOM 437 CD GLU A 31 -4.749 5.107 -5.435 1.00 0.00 C ATOM 438 OE1 GLU A 31 -4.143 5.455 -6.436 1.00 0.00 O ATOM 439 OE2 GLU A 31 -4.281 5.139 -4.308 1.00 0.00 O ATOM 0 H GLU A 31 -6.991 6.861 -8.589 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.918 4.165 -8.087 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.485 6.463 -6.655 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.961 5.565 -6.361 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.705 4.634 -4.648 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.173 3.556 -5.923 1.00 0.00 H new ATOM 446 N GLU A 32 -9.091 4.550 -8.749 1.00 0.00 N ATOM 447 CA GLU A 32 -10.319 3.760 -9.061 1.00 0.00 C ATOM 448 C GLU A 32 -10.029 2.770 -10.192 1.00 0.00 C ATOM 449 O GLU A 32 -10.333 1.598 -10.096 1.00 0.00 O ATOM 450 CB GLU A 32 -11.359 4.793 -9.502 1.00 0.00 C ATOM 451 CG GLU A 32 -12.698 4.499 -8.820 1.00 0.00 C ATOM 452 CD GLU A 32 -13.839 4.695 -9.822 1.00 0.00 C ATOM 453 OE1 GLU A 32 -13.754 4.138 -10.903 1.00 0.00 O ATOM 454 OE2 GLU A 32 -14.778 5.399 -9.489 1.00 0.00 O ATOM 0 H GLU A 32 -9.171 5.555 -8.903 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.666 3.178 -8.207 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.021 5.797 -9.244 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.477 4.765 -10.585 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.707 3.478 -8.439 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.835 5.160 -7.964 1.00 0.00 H new ATOM 461 N GLN A 33 -9.437 3.235 -11.260 1.00 0.00 N ATOM 462 CA GLN A 33 -9.120 2.322 -12.397 1.00 0.00 C ATOM 463 C GLN A 33 -8.131 1.246 -11.940 1.00 0.00 C ATOM 464 O GLN A 33 -8.195 0.109 -12.365 1.00 0.00 O ATOM 465 CB GLN A 33 -8.484 3.217 -13.463 1.00 0.00 C ATOM 466 CG GLN A 33 -9.528 3.579 -14.524 1.00 0.00 C ATOM 467 CD GLN A 33 -9.040 3.128 -15.902 1.00 0.00 C ATOM 468 OE1 GLN A 33 -8.162 3.738 -16.479 1.00 0.00 O ATOM 469 NE2 GLN A 33 -9.576 2.075 -16.458 1.00 0.00 N ATOM 0 H GLN A 33 -9.159 4.207 -11.394 1.00 0.00 H new ATOM 0 HA GLN A 33 -10.003 1.808 -12.776 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.090 4.123 -13.003 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.642 2.703 -13.928 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.479 3.101 -14.290 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.703 4.655 -14.524 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.313 1.562 -15.974 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.257 1.765 -17.376 1.00 0.00 H new ATOM 478 N ARG A 34 -7.220 1.600 -11.074 1.00 0.00 N ATOM 479 CA ARG A 34 -6.226 0.603 -10.583 1.00 0.00 C ATOM 480 C ARG A 34 -6.925 -0.458 -9.727 1.00 0.00 C ATOM 481 O ARG A 34 -6.624 -1.632 -9.809 1.00 0.00 O ATOM 482 CB ARG A 34 -5.239 1.408 -9.737 1.00 0.00 C ATOM 483 CG ARG A 34 -3.840 0.803 -9.870 1.00 0.00 C ATOM 484 CD ARG A 34 -3.200 1.277 -11.177 1.00 0.00 C ATOM 485 NE ARG A 34 -2.052 0.354 -11.399 1.00 0.00 N ATOM 486 CZ ARG A 34 -0.924 0.555 -10.774 1.00 0.00 C ATOM 487 NH1 ARG A 34 -0.304 1.697 -10.897 1.00 0.00 N ATOM 488 NH2 ARG A 34 -0.415 -0.386 -10.026 1.00 0.00 N ATOM 0 H ARG A 34 -7.121 2.538 -10.685 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.728 0.079 -11.399 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.229 2.448 -10.062 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.551 1.403 -8.693 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.222 1.099 -9.022 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.900 -0.285 -9.856 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.909 1.231 -12.003 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.866 2.312 -11.101 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.147 -0.434 -12.039 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.701 2.433 -11.482 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.578 1.854 -10.408 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.899 -1.279 -9.930 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.467 -0.229 -9.538 1.00 0.00 H new ATOM 502 N GLN A 35 -7.859 -0.050 -8.909 1.00 0.00 N ATOM 503 CA GLN A 35 -8.582 -1.032 -8.049 1.00 0.00 C ATOM 504 C GLN A 35 -9.318 -2.053 -8.922 1.00 0.00 C ATOM 505 O GLN A 35 -9.343 -3.232 -8.626 1.00 0.00 O ATOM 506 CB GLN A 35 -9.581 -0.200 -7.243 1.00 0.00 C ATOM 507 CG GLN A 35 -8.937 0.238 -5.926 1.00 0.00 C ATOM 508 CD GLN A 35 -9.986 0.924 -5.049 1.00 0.00 C ATOM 509 OE1 GLN A 35 -10.515 0.324 -4.134 1.00 0.00 O ATOM 510 NE2 GLN A 35 -10.311 2.164 -5.291 1.00 0.00 N ATOM 0 H GLN A 35 -8.152 0.921 -8.799 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.905 -1.591 -7.403 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.889 0.674 -7.817 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.480 -0.784 -7.044 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.522 -0.626 -5.407 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.109 0.920 -6.122 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.867 2.667 -6.059 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.009 2.630 -4.712 1.00 0.00 H new ATOM 519 N ARG A 36 -9.913 -1.606 -9.996 1.00 0.00 N ATOM 520 CA ARG A 36 -10.646 -2.549 -10.892 1.00 0.00 C ATOM 521 C ARG A 36 -9.651 -3.437 -11.643 1.00 0.00 C ATOM 522 O ARG A 36 -9.875 -4.618 -11.827 1.00 0.00 O ATOM 523 CB ARG A 36 -11.416 -1.656 -11.867 1.00 0.00 C ATOM 524 CG ARG A 36 -12.680 -1.123 -11.186 1.00 0.00 C ATOM 525 CD ARG A 36 -13.892 -1.937 -11.644 1.00 0.00 C ATOM 526 NE ARG A 36 -15.049 -1.354 -10.909 1.00 0.00 N ATOM 527 CZ ARG A 36 -15.531 -0.195 -11.268 1.00 0.00 C ATOM 528 NH1 ARG A 36 -16.312 -0.107 -12.310 1.00 0.00 N ATOM 529 NH2 ARG A 36 -15.233 0.876 -10.585 1.00 0.00 N ATOM 0 H ARG A 36 -9.923 -0.630 -10.292 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.312 -3.212 -10.341 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.787 -0.826 -12.190 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.683 -2.221 -12.760 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.576 -1.186 -10.103 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.822 -0.071 -11.432 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.032 -1.863 -12.722 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.768 -2.994 -11.410 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.464 -1.860 -10.126 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -16.546 -0.944 -12.844 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.688 0.799 -12.590 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.623 0.808 -9.770 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.610 1.781 -10.866 1.00 0.00 H new ATOM 543 N GLN A 37 -8.553 -2.878 -12.077 1.00 0.00 N ATOM 544 CA GLN A 37 -7.538 -3.689 -12.813 1.00 0.00 C ATOM 545 C GLN A 37 -6.796 -4.608 -11.839 1.00 0.00 C ATOM 546 O GLN A 37 -6.300 -5.651 -12.215 1.00 0.00 O ATOM 547 CB GLN A 37 -6.578 -2.668 -13.430 1.00 0.00 C ATOM 548 CG GLN A 37 -6.442 -2.933 -14.931 1.00 0.00 C ATOM 549 CD GLN A 37 -5.202 -3.792 -15.189 1.00 0.00 C ATOM 550 OE1 GLN A 37 -5.277 -5.005 -15.182 1.00 0.00 O ATOM 551 NE2 GLN A 37 -4.057 -3.211 -15.418 1.00 0.00 N ATOM 0 H GLN A 37 -8.314 -1.894 -11.954 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.990 -4.327 -13.573 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.949 -1.657 -13.261 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.602 -2.734 -12.949 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.332 -3.440 -15.303 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.363 -1.990 -15.472 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.994 -2.193 -15.424 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.225 -3.775 -15.591 1.00 0.00 H new ATOM 560 N GLU A 38 -6.726 -4.232 -10.591 1.00 0.00 N ATOM 561 CA GLU A 38 -6.027 -5.079 -9.584 1.00 0.00 C ATOM 562 C GLU A 38 -6.983 -6.156 -9.075 1.00 0.00 C ATOM 563 O GLU A 38 -6.719 -7.336 -9.194 1.00 0.00 O ATOM 564 CB GLU A 38 -5.645 -4.124 -8.452 1.00 0.00 C ATOM 565 CG GLU A 38 -4.532 -4.751 -7.611 1.00 0.00 C ATOM 566 CD GLU A 38 -3.172 -4.291 -8.137 1.00 0.00 C ATOM 567 OE1 GLU A 38 -2.750 -3.210 -7.763 1.00 0.00 O ATOM 568 OE2 GLU A 38 -2.577 -5.027 -8.905 1.00 0.00 O ATOM 0 H GLU A 38 -7.126 -3.368 -10.224 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.153 -5.584 -9.995 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.312 -3.171 -8.863 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.514 -3.916 -7.828 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.646 -4.463 -6.566 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.600 -5.838 -7.651 1.00 0.00 H new ATOM 575 N GLU A 39 -8.102 -5.756 -8.524 1.00 0.00 N ATOM 576 CA GLU A 39 -9.090 -6.755 -8.020 1.00 0.00 C ATOM 577 C GLU A 39 -9.386 -7.773 -9.123 1.00 0.00 C ATOM 578 O GLU A 39 -9.622 -8.937 -8.866 1.00 0.00 O ATOM 579 CB GLU A 39 -10.344 -5.945 -7.684 1.00 0.00 C ATOM 580 CG GLU A 39 -10.192 -5.312 -6.298 1.00 0.00 C ATOM 581 CD GLU A 39 -11.295 -5.832 -5.372 1.00 0.00 C ATOM 582 OE1 GLU A 39 -12.446 -5.790 -5.773 1.00 0.00 O ATOM 583 OE2 GLU A 39 -10.968 -6.263 -4.279 1.00 0.00 O ATOM 0 H GLU A 39 -8.373 -4.780 -8.402 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.727 -7.306 -7.153 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.500 -5.169 -8.434 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.222 -6.590 -7.706 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.213 -5.551 -5.883 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.249 -4.226 -6.375 1.00 0.00 H new ATOM 590 N GLU A 40 -9.350 -7.334 -10.353 1.00 0.00 N ATOM 591 CA GLU A 40 -9.602 -8.262 -11.488 1.00 0.00 C ATOM 592 C GLU A 40 -8.298 -8.976 -11.848 1.00 0.00 C ATOM 593 O GLU A 40 -8.295 -10.129 -12.237 1.00 0.00 O ATOM 594 CB GLU A 40 -10.067 -7.368 -12.638 1.00 0.00 C ATOM 595 CG GLU A 40 -10.755 -8.223 -13.704 1.00 0.00 C ATOM 596 CD GLU A 40 -11.431 -7.313 -14.732 1.00 0.00 C ATOM 597 OE1 GLU A 40 -12.355 -6.611 -14.355 1.00 0.00 O ATOM 598 OE2 GLU A 40 -11.013 -7.334 -15.878 1.00 0.00 O ATOM 0 H GLU A 40 -9.156 -6.369 -10.619 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.343 -9.027 -11.256 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.755 -6.608 -12.267 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.216 -6.843 -13.072 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.025 -8.866 -14.196 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.494 -8.876 -13.240 1.00 0.00 H new ATOM 605 N ALA A 41 -7.185 -8.300 -11.707 1.00 0.00 N ATOM 606 CA ALA A 41 -5.878 -8.945 -12.027 1.00 0.00 C ATOM 607 C ALA A 41 -5.632 -10.108 -11.067 1.00 0.00 C ATOM 608 O ALA A 41 -5.370 -11.221 -11.478 1.00 0.00 O ATOM 609 CB ALA A 41 -4.825 -7.854 -11.827 1.00 0.00 C ATOM 0 H ALA A 41 -7.126 -7.334 -11.386 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.851 -9.345 -13.040 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.836 -8.258 -12.045 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.033 -7.021 -12.498 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.854 -7.505 -10.795 1.00 0.00 H new ATOM 615 N ARG A 42 -5.725 -9.859 -9.786 1.00 0.00 N ATOM 616 CA ARG A 42 -5.509 -10.953 -8.798 1.00 0.00 C ATOM 617 C ARG A 42 -6.614 -12.000 -8.946 1.00 0.00 C ATOM 618 O ARG A 42 -6.405 -13.176 -8.717 1.00 0.00 O ATOM 619 CB ARG A 42 -5.571 -10.279 -7.425 1.00 0.00 C ATOM 620 CG ARG A 42 -6.986 -9.762 -7.159 1.00 0.00 C ATOM 621 CD ARG A 42 -7.035 -9.119 -5.774 1.00 0.00 C ATOM 622 NE ARG A 42 -8.485 -8.952 -5.475 1.00 0.00 N ATOM 623 CZ ARG A 42 -8.879 -8.761 -4.246 1.00 0.00 C ATOM 624 NH1 ARG A 42 -8.280 -7.875 -3.500 1.00 0.00 N ATOM 625 NH2 ARG A 42 -9.873 -9.456 -3.764 1.00 0.00 N ATOM 0 H ARG A 42 -5.941 -8.947 -9.384 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.558 -11.466 -8.941 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -5.282 -10.988 -6.649 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.860 -9.454 -7.383 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.269 -9.035 -7.920 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.702 -10.581 -7.218 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.549 -9.749 -5.029 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.518 -8.160 -5.766 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.169 -8.987 -6.231 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.504 -7.332 -3.877 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.588 -7.725 -2.539 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.342 -10.148 -4.348 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.181 -9.307 -2.803 1.00 0.00 H new ATOM 639 N ARG A 43 -7.789 -11.580 -9.343 1.00 0.00 N ATOM 640 CA ARG A 43 -8.910 -12.549 -9.524 1.00 0.00 C ATOM 641 C ARG A 43 -8.456 -13.677 -10.451 1.00 0.00 C ATOM 642 O ARG A 43 -8.684 -14.842 -10.191 1.00 0.00 O ATOM 643 CB ARG A 43 -10.042 -11.743 -10.170 1.00 0.00 C ATOM 644 CG ARG A 43 -11.315 -11.881 -9.332 1.00 0.00 C ATOM 645 CD ARG A 43 -11.860 -13.307 -9.459 1.00 0.00 C ATOM 646 NE ARG A 43 -12.598 -13.552 -8.189 1.00 0.00 N ATOM 647 CZ ARG A 43 -12.988 -14.760 -7.885 1.00 0.00 C ATOM 648 NH1 ARG A 43 -12.109 -15.666 -7.557 1.00 0.00 N ATOM 649 NH2 ARG A 43 -14.258 -15.061 -7.911 1.00 0.00 N ATOM 0 H ARG A 43 -8.019 -10.608 -9.549 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.230 -13.002 -8.586 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.757 -10.694 -10.246 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.222 -12.099 -11.184 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.102 -11.654 -8.288 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.063 -11.163 -9.668 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -12.518 -13.403 -10.323 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.053 -14.028 -9.592 1.00 0.00 H new ATOM 0 HE ARG A 43 -12.799 -12.777 -7.557 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.117 -15.431 -7.538 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.414 -16.610 -7.319 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.945 -14.352 -8.169 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -14.563 -16.005 -7.674 1.00 0.00 H new ATOM 663 N ALA A 44 -7.794 -13.332 -11.524 1.00 0.00 N ATOM 664 CA ALA A 44 -7.298 -14.379 -12.461 1.00 0.00 C ATOM 665 C ALA A 44 -6.082 -15.077 -11.845 1.00 0.00 C ATOM 666 O ALA A 44 -5.766 -16.204 -12.172 1.00 0.00 O ATOM 667 CB ALA A 44 -6.901 -13.625 -13.731 1.00 0.00 C ATOM 0 H ALA A 44 -7.576 -12.372 -11.791 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.045 -15.145 -12.669 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.525 -14.331 -14.471 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.771 -13.107 -14.134 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.124 -12.898 -13.495 1.00 0.00 H new ATOM 673 N ALA A 45 -5.403 -14.411 -10.946 1.00 0.00 N ATOM 674 CA ALA A 45 -4.210 -15.025 -10.293 1.00 0.00 C ATOM 675 C ALA A 45 -4.648 -16.152 -9.356 1.00 0.00 C ATOM 676 O ALA A 45 -3.965 -17.144 -9.198 1.00 0.00 O ATOM 677 CB ALA A 45 -3.563 -13.888 -9.500 1.00 0.00 C ATOM 0 H ALA A 45 -5.625 -13.465 -10.636 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.519 -15.460 -11.015 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.675 -14.260 -8.989 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.280 -13.085 -10.180 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.272 -13.508 -8.765 1.00 0.00 H new ATOM 683 N ALA A 46 -5.789 -16.006 -8.733 1.00 0.00 N ATOM 684 CA ALA A 46 -6.277 -17.067 -7.805 1.00 0.00 C ATOM 685 C ALA A 46 -6.967 -18.179 -8.598 1.00 0.00 C ATOM 686 O ALA A 46 -6.754 -19.351 -8.356 1.00 0.00 O ATOM 687 CB ALA A 46 -7.277 -16.362 -6.888 1.00 0.00 C ATOM 0 H ALA A 46 -6.403 -15.197 -8.828 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.467 -17.531 -7.242 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.683 -17.078 -6.173 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.774 -15.558 -6.351 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.088 -15.946 -7.486 1.00 0.00 H new ATOM 693 N ALA A 47 -7.791 -17.818 -9.545 1.00 0.00 N ATOM 694 CA ALA A 47 -8.496 -18.852 -10.359 1.00 0.00 C ATOM 695 C ALA A 47 -7.479 -19.706 -11.119 1.00 0.00 C ATOM 696 O ALA A 47 -7.662 -20.894 -11.301 1.00 0.00 O ATOM 697 CB ALA A 47 -9.371 -18.064 -11.334 1.00 0.00 C ATOM 0 H ALA A 47 -8.007 -16.852 -9.791 1.00 0.00 H new ATOM 0 HA ALA A 47 -9.086 -19.531 -9.743 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -9.923 -18.757 -11.969 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.074 -17.446 -10.775 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -8.741 -17.426 -11.954 1.00 0.00 H new ATOM 703 N SER A 48 -6.405 -19.109 -11.564 1.00 0.00 N ATOM 704 CA SER A 48 -5.371 -19.883 -12.311 1.00 0.00 C ATOM 705 C SER A 48 -4.412 -20.563 -11.331 1.00 0.00 C ATOM 706 O SER A 48 -3.859 -21.608 -11.615 1.00 0.00 O ATOM 707 CB SER A 48 -4.631 -18.845 -13.153 1.00 0.00 C ATOM 708 OG SER A 48 -3.613 -19.491 -13.906 1.00 0.00 O ATOM 0 H SER A 48 -6.199 -18.117 -11.442 1.00 0.00 H new ATOM 0 HA SER A 48 -5.807 -20.670 -12.927 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.327 -18.338 -13.821 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.194 -18.082 -12.509 1.00 0.00 H new ATOM 0 HG SER A 48 -3.137 -18.828 -14.449 1.00 0.00 H new ATOM 714 N ALA A 49 -4.211 -19.978 -10.180 1.00 0.00 N ATOM 715 CA ALA A 49 -3.288 -20.590 -9.179 1.00 0.00 C ATOM 716 C ALA A 49 -3.800 -21.970 -8.762 1.00 0.00 C ATOM 717 O ALA A 49 -3.032 -22.878 -8.508 1.00 0.00 O ATOM 718 CB ALA A 49 -3.302 -19.632 -7.987 1.00 0.00 C ATOM 0 H ALA A 49 -4.646 -19.102 -9.889 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.283 -20.730 -9.577 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.645 -20.014 -7.206 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -2.954 -18.649 -8.306 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.317 -19.549 -7.599 1.00 0.00 H new ATOM 724 N ALA A 50 -5.094 -22.135 -8.694 1.00 0.00 N ATOM 725 CA ALA A 50 -5.660 -23.457 -8.295 1.00 0.00 C ATOM 726 C ALA A 50 -5.660 -24.416 -9.490 1.00 0.00 C ATOM 727 O ALA A 50 -5.646 -25.620 -9.329 1.00 0.00 O ATOM 728 CB ALA A 50 -7.092 -23.156 -7.850 1.00 0.00 C ATOM 0 H ALA A 50 -5.784 -21.412 -8.897 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.079 -23.934 -7.506 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.579 -24.081 -7.540 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.074 -22.457 -7.014 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.646 -22.715 -8.679 1.00 0.00 H new ATOM 734 N GLU A 51 -5.678 -23.889 -10.686 1.00 0.00 N ATOM 735 CA GLU A 51 -5.680 -24.770 -11.891 1.00 0.00 C ATOM 736 C GLU A 51 -4.258 -24.926 -12.438 1.00 0.00 C ATOM 737 O GLU A 51 -3.678 -25.993 -12.384 1.00 0.00 O ATOM 738 CB GLU A 51 -6.567 -24.047 -12.905 1.00 0.00 C ATOM 739 CG GLU A 51 -8.000 -23.976 -12.372 1.00 0.00 C ATOM 740 CD GLU A 51 -8.956 -23.640 -13.517 1.00 0.00 C ATOM 741 OE1 GLU A 51 -9.146 -22.464 -13.780 1.00 0.00 O ATOM 742 OE2 GLU A 51 -9.483 -24.565 -14.113 1.00 0.00 O ATOM 0 H GLU A 51 -5.691 -22.888 -10.880 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.045 -25.773 -11.669 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.185 -23.042 -13.087 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.549 -24.572 -13.860 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.278 -24.928 -11.920 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.071 -23.219 -11.591 1.00 0.00 H new ATOM 749 N ALA A 52 -3.695 -23.871 -12.964 1.00 0.00 N ATOM 750 CA ALA A 52 -2.311 -23.958 -13.518 1.00 0.00 C ATOM 751 C ALA A 52 -1.296 -23.436 -12.498 1.00 0.00 C ATOM 752 O ALA A 52 -0.259 -22.913 -12.854 1.00 0.00 O ATOM 753 CB ALA A 52 -2.327 -23.069 -14.761 1.00 0.00 C ATOM 0 H ALA A 52 -4.133 -22.953 -13.034 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.024 -24.983 -13.752 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.342 -23.079 -15.228 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.068 -23.444 -15.467 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.583 -22.049 -14.475 1.00 0.00 H new ATOM 759 N GLY A 53 -1.588 -23.572 -11.231 1.00 0.00 N ATOM 760 CA GLY A 53 -0.642 -23.080 -10.189 1.00 0.00 C ATOM 761 C GLY A 53 -0.187 -24.241 -9.297 1.00 0.00 C ATOM 762 O GLY A 53 0.802 -24.142 -8.597 1.00 0.00 O ATOM 0 H GLY A 53 -2.441 -24.003 -10.874 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.223 -22.615 -10.663 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.124 -22.313 -9.583 1.00 0.00 H new ATOM 882 N ASP A 63 9.931 -15.865 -22.047 1.00 0.00 N ATOM 883 CA ASP A 63 11.077 -16.329 -22.887 1.00 0.00 C ATOM 884 C ASP A 63 11.345 -15.337 -24.023 1.00 0.00 C ATOM 885 O ASP A 63 12.479 -15.095 -24.395 1.00 0.00 O ATOM 886 CB ASP A 63 10.638 -17.684 -23.451 1.00 0.00 C ATOM 887 CG ASP A 63 9.342 -17.516 -24.250 1.00 0.00 C ATOM 888 OD1 ASP A 63 8.335 -17.184 -23.646 1.00 0.00 O ATOM 889 OD2 ASP A 63 9.381 -17.721 -25.452 1.00 0.00 O ATOM 0 HA ASP A 63 12.000 -16.406 -22.312 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.420 -18.093 -24.090 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.486 -18.395 -22.639 1.00 0.00 H new ATOM 894 N ASP A 64 10.313 -14.751 -24.573 1.00 0.00 N ATOM 895 CA ASP A 64 10.521 -13.775 -25.678 1.00 0.00 C ATOM 896 C ASP A 64 11.022 -12.459 -25.100 1.00 0.00 C ATOM 897 O ASP A 64 11.743 -11.724 -25.744 1.00 0.00 O ATOM 898 CB ASP A 64 9.152 -13.590 -26.330 1.00 0.00 C ATOM 899 CG ASP A 64 8.625 -14.941 -26.817 1.00 0.00 C ATOM 900 OD1 ASP A 64 9.159 -15.444 -27.792 1.00 0.00 O ATOM 901 OD2 ASP A 64 7.699 -15.448 -26.207 1.00 0.00 O ATOM 0 H ASP A 64 9.341 -14.906 -24.305 1.00 0.00 H new ATOM 0 HA ASP A 64 11.258 -14.119 -26.403 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.454 -13.153 -25.615 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.228 -12.896 -27.167 1.00 0.00 H new ATOM 906 N ALA A 65 10.657 -12.159 -23.881 1.00 0.00 N ATOM 907 CA ALA A 65 11.131 -10.892 -23.265 1.00 0.00 C ATOM 908 C ALA A 65 12.654 -10.925 -23.173 1.00 0.00 C ATOM 909 O ALA A 65 13.329 -9.968 -23.495 1.00 0.00 O ATOM 910 CB ALA A 65 10.508 -10.850 -21.872 1.00 0.00 C ATOM 0 H ALA A 65 10.055 -12.734 -23.291 1.00 0.00 H new ATOM 0 HA ALA A 65 10.850 -10.013 -23.845 1.00 0.00 H new ATOM 0 HB1 ALA A 65 10.818 -9.938 -21.362 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.422 -10.866 -21.959 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.839 -11.716 -21.299 1.00 0.00 H new ATOM 916 N LEU A 66 13.201 -12.037 -22.757 1.00 0.00 N ATOM 917 CA LEU A 66 14.682 -12.148 -22.672 1.00 0.00 C ATOM 918 C LEU A 66 15.262 -12.078 -24.085 1.00 0.00 C ATOM 919 O LEU A 66 16.360 -11.605 -24.296 1.00 0.00 O ATOM 920 CB LEU A 66 14.954 -13.516 -22.039 1.00 0.00 C ATOM 921 CG LEU A 66 15.792 -13.339 -20.771 1.00 0.00 C ATOM 922 CD1 LEU A 66 15.374 -14.381 -19.731 1.00 0.00 C ATOM 923 CD2 LEU A 66 17.274 -13.524 -21.108 1.00 0.00 C ATOM 0 H LEU A 66 12.685 -12.870 -22.474 1.00 0.00 H new ATOM 0 HA LEU A 66 15.135 -11.349 -22.085 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.013 -14.010 -21.799 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.479 -14.157 -22.747 1.00 0.00 H new ATOM 0 HG LEU A 66 15.632 -12.339 -20.368 1.00 0.00 H new ATOM 0 HD11 LEU A 66 15.972 -14.254 -18.828 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.319 -14.251 -19.489 1.00 0.00 H new ATOM 0 HD13 LEU A 66 15.533 -15.381 -20.134 1.00 0.00 H new ATOM 0 HD21 LEU A 66 17.871 -13.398 -20.205 1.00 0.00 H new ATOM 0 HD22 LEU A 66 17.433 -14.524 -21.512 1.00 0.00 H new ATOM 0 HD23 LEU A 66 17.574 -12.782 -21.848 1.00 0.00 H new ATOM 935 N LEU A 67 14.516 -12.535 -25.057 1.00 0.00 N ATOM 936 CA LEU A 67 15.006 -12.483 -26.464 1.00 0.00 C ATOM 937 C LEU A 67 14.959 -11.041 -26.976 1.00 0.00 C ATOM 938 O LEU A 67 15.887 -10.557 -27.596 1.00 0.00 O ATOM 939 CB LEU A 67 14.037 -13.365 -27.255 1.00 0.00 C ATOM 940 CG LEU A 67 14.590 -13.598 -28.662 1.00 0.00 C ATOM 941 CD1 LEU A 67 14.215 -15.003 -29.133 1.00 0.00 C ATOM 942 CD2 LEU A 67 13.995 -12.564 -29.621 1.00 0.00 C ATOM 0 H LEU A 67 13.589 -12.942 -24.936 1.00 0.00 H new ATOM 0 HA LEU A 67 16.036 -12.826 -26.560 1.00 0.00 H new ATOM 0 HB2 LEU A 67 13.898 -14.318 -26.745 1.00 0.00 H new ATOM 0 HB3 LEU A 67 13.059 -12.888 -27.312 1.00 0.00 H new ATOM 0 HG LEU A 67 15.675 -13.498 -28.646 1.00 0.00 H new ATOM 0 HD11 LEU A 67 14.609 -15.168 -30.136 1.00 0.00 H new ATOM 0 HD12 LEU A 67 14.638 -15.740 -28.451 1.00 0.00 H new ATOM 0 HD13 LEU A 67 13.130 -15.104 -29.149 1.00 0.00 H new ATOM 0 HD21 LEU A 67 14.389 -12.729 -30.624 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.910 -12.664 -29.636 1.00 0.00 H new ATOM 0 HD23 LEU A 67 14.263 -11.562 -29.287 1.00 0.00 H new ATOM 954 N LYS A 68 13.881 -10.352 -26.714 1.00 0.00 N ATOM 955 CA LYS A 68 13.758 -8.940 -27.178 1.00 0.00 C ATOM 956 C LYS A 68 14.522 -8.005 -26.237 1.00 0.00 C ATOM 957 O LYS A 68 15.390 -7.271 -26.658 1.00 0.00 O ATOM 958 CB LYS A 68 12.260 -8.636 -27.135 1.00 0.00 C ATOM 959 CG LYS A 68 11.677 -8.726 -28.547 1.00 0.00 C ATOM 960 CD LYS A 68 11.772 -10.169 -29.049 1.00 0.00 C ATOM 961 CE LYS A 68 10.685 -11.016 -28.384 1.00 0.00 C ATOM 962 NZ LYS A 68 9.605 -11.126 -29.403 1.00 0.00 N ATOM 0 H LYS A 68 13.077 -10.708 -26.197 1.00 0.00 H new ATOM 0 HA LYS A 68 14.174 -8.797 -28.175 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.754 -9.342 -26.476 1.00 0.00 H new ATOM 0 HB3 LYS A 68 12.092 -7.640 -26.724 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.637 -8.399 -28.544 1.00 0.00 H new ATOM 0 HG3 LYS A 68 12.219 -8.060 -29.219 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.656 -10.196 -30.133 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.756 -10.579 -28.823 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.066 -11.998 -28.105 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.320 -10.544 -27.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.823 -11.694 -29.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.257 -10.176 -29.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.980 -11.585 -30.258 1.00 0.00 H new ATOM 976 N MET A 69 14.204 -8.025 -24.968 1.00 0.00 N ATOM 977 CA MET A 69 14.913 -7.131 -23.999 1.00 0.00 C ATOM 978 C MET A 69 16.434 -7.226 -24.183 1.00 0.00 C ATOM 979 O MET A 69 17.139 -6.237 -24.112 1.00 0.00 O ATOM 980 CB MET A 69 14.509 -7.646 -22.617 1.00 0.00 C ATOM 981 CG MET A 69 14.751 -6.555 -21.572 1.00 0.00 C ATOM 982 SD MET A 69 15.055 -7.319 -19.960 1.00 0.00 S ATOM 983 CE MET A 69 16.362 -6.193 -19.417 1.00 0.00 C ATOM 0 H MET A 69 13.484 -8.621 -24.559 1.00 0.00 H new ATOM 0 HA MET A 69 14.647 -6.084 -24.143 1.00 0.00 H new ATOM 0 HB2 MET A 69 13.458 -7.936 -22.619 1.00 0.00 H new ATOM 0 HB3 MET A 69 15.085 -8.537 -22.367 1.00 0.00 H new ATOM 0 HG2 MET A 69 15.604 -5.942 -21.862 1.00 0.00 H new ATOM 0 HG3 MET A 69 13.887 -5.893 -21.515 1.00 0.00 H new ATOM 0 HE1 MET A 69 16.705 -6.485 -18.424 1.00 0.00 H new ATOM 0 HE2 MET A 69 17.196 -6.239 -20.117 1.00 0.00 H new ATOM 0 HE3 MET A 69 15.974 -5.175 -19.382 1.00 0.00 H new ATOM 993 N THR A 70 16.940 -8.406 -24.421 1.00 0.00 N ATOM 994 CA THR A 70 18.413 -8.564 -24.608 1.00 0.00 C ATOM 995 C THR A 70 18.853 -7.947 -25.939 1.00 0.00 C ATOM 996 O THR A 70 19.883 -7.305 -26.022 1.00 0.00 O ATOM 997 CB THR A 70 18.657 -10.077 -24.600 1.00 0.00 C ATOM 998 OG1 THR A 70 18.345 -10.595 -23.315 1.00 0.00 O ATOM 999 CG2 THR A 70 20.125 -10.369 -24.923 1.00 0.00 C ATOM 0 H THR A 70 16.398 -9.267 -24.494 1.00 0.00 H new ATOM 0 HA THR A 70 18.983 -8.059 -23.828 1.00 0.00 H new ATOM 0 HB THR A 70 18.024 -10.548 -25.352 1.00 0.00 H new ATOM 0 HG1 THR A 70 17.566 -11.186 -23.381 1.00 0.00 H new ATOM 0 HG21 THR A 70 20.292 -11.446 -24.916 1.00 0.00 H new ATOM 0 HG22 THR A 70 20.367 -9.971 -25.908 1.00 0.00 H new ATOM 0 HG23 THR A 70 20.763 -9.898 -24.175 1.00 0.00 H new ATOM 1007 N ILE A 71 18.085 -8.128 -26.982 1.00 0.00 N ATOM 1008 CA ILE A 71 18.477 -7.542 -28.292 1.00 0.00 C ATOM 1009 C ILE A 71 18.077 -6.062 -28.347 1.00 0.00 C ATOM 1010 O ILE A 71 18.559 -5.313 -29.172 1.00 0.00 O ATOM 1011 CB ILE A 71 17.734 -8.375 -29.347 1.00 0.00 C ATOM 1012 CG1 ILE A 71 18.575 -8.422 -30.623 1.00 0.00 C ATOM 1013 CG2 ILE A 71 16.365 -7.763 -29.663 1.00 0.00 C ATOM 1014 CD1 ILE A 71 19.787 -9.328 -30.397 1.00 0.00 C ATOM 0 H ILE A 71 17.210 -8.653 -26.981 1.00 0.00 H new ATOM 0 HA ILE A 71 19.553 -7.572 -28.461 1.00 0.00 H new ATOM 0 HB ILE A 71 17.579 -9.381 -28.956 1.00 0.00 H new ATOM 0 HG12 ILE A 71 17.976 -8.797 -31.453 1.00 0.00 H new ATOM 0 HG13 ILE A 71 18.902 -7.418 -30.894 1.00 0.00 H new ATOM 0 HG21 ILE A 71 15.859 -8.371 -30.413 1.00 0.00 H new ATOM 0 HG22 ILE A 71 15.763 -7.730 -28.755 1.00 0.00 H new ATOM 0 HG23 ILE A 71 16.498 -6.751 -30.046 1.00 0.00 H new ATOM 0 HD11 ILE A 71 20.389 -9.364 -31.305 1.00 0.00 H new ATOM 0 HD12 ILE A 71 20.389 -8.933 -29.578 1.00 0.00 H new ATOM 0 HD13 ILE A 71 19.448 -10.333 -30.147 1.00 0.00 H new ATOM 1026 N SER A 72 17.210 -5.635 -27.467 1.00 0.00 N ATOM 1027 CA SER A 72 16.797 -4.205 -27.467 1.00 0.00 C ATOM 1028 C SER A 72 17.930 -3.345 -26.905 1.00 0.00 C ATOM 1029 O SER A 72 18.197 -2.261 -27.386 1.00 0.00 O ATOM 1030 CB SER A 72 15.568 -4.135 -26.560 1.00 0.00 C ATOM 1031 OG SER A 72 14.564 -3.352 -27.190 1.00 0.00 O ATOM 0 H SER A 72 16.772 -6.215 -26.751 1.00 0.00 H new ATOM 0 HA SER A 72 16.573 -3.837 -28.468 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.191 -5.138 -26.361 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.836 -3.698 -25.598 1.00 0.00 H new ATOM 0 HG SER A 72 13.774 -3.306 -26.612 1.00 0.00 H new ATOM 1037 N GLN A 73 18.601 -3.828 -25.894 1.00 0.00 N ATOM 1038 CA GLN A 73 19.724 -3.047 -25.301 1.00 0.00 C ATOM 1039 C GLN A 73 21.001 -3.251 -26.125 1.00 0.00 C ATOM 1040 O GLN A 73 21.900 -2.434 -26.104 1.00 0.00 O ATOM 1041 CB GLN A 73 19.898 -3.599 -23.882 1.00 0.00 C ATOM 1042 CG GLN A 73 20.218 -5.097 -23.936 1.00 0.00 C ATOM 1043 CD GLN A 73 20.856 -5.529 -22.615 1.00 0.00 C ATOM 1044 OE1 GLN A 73 20.604 -4.941 -21.583 1.00 0.00 O ATOM 1045 NE2 GLN A 73 21.679 -6.542 -22.603 1.00 0.00 N ATOM 0 H GLN A 73 18.420 -4.730 -25.453 1.00 0.00 H new ATOM 0 HA GLN A 73 19.521 -1.976 -25.291 1.00 0.00 H new ATOM 0 HB2 GLN A 73 20.700 -3.066 -23.372 1.00 0.00 H new ATOM 0 HB3 GLN A 73 18.988 -3.434 -23.305 1.00 0.00 H new ATOM 0 HG2 GLN A 73 19.307 -5.668 -24.116 1.00 0.00 H new ATOM 0 HG3 GLN A 73 20.895 -5.306 -24.765 1.00 0.00 H new ATOM 0 HE21 GLN A 73 21.891 -7.037 -23.469 1.00 0.00 H new ATOM 0 HE22 GLN A 73 22.110 -6.839 -21.727 1.00 0.00 H new ATOM 1054 N GLN A 74 21.085 -4.335 -26.851 1.00 0.00 N ATOM 1055 CA GLN A 74 22.301 -4.592 -27.677 1.00 0.00 C ATOM 1056 C GLN A 74 22.128 -3.988 -29.074 1.00 0.00 C ATOM 1057 O GLN A 74 23.082 -3.565 -29.698 1.00 0.00 O ATOM 1058 CB GLN A 74 22.407 -6.116 -27.761 1.00 0.00 C ATOM 1059 CG GLN A 74 23.530 -6.603 -26.841 1.00 0.00 C ATOM 1060 CD GLN A 74 23.215 -8.021 -26.358 1.00 0.00 C ATOM 1061 OE1 GLN A 74 22.208 -8.248 -25.719 1.00 0.00 O ATOM 1062 NE2 GLN A 74 24.042 -8.991 -26.638 1.00 0.00 N ATOM 0 H GLN A 74 20.363 -5.054 -26.907 1.00 0.00 H new ATOM 0 HA GLN A 74 23.196 -4.144 -27.246 1.00 0.00 H new ATOM 0 HB2 GLN A 74 21.461 -6.573 -27.471 1.00 0.00 H new ATOM 0 HB3 GLN A 74 22.606 -6.421 -28.788 1.00 0.00 H new ATOM 0 HG2 GLN A 74 24.481 -6.591 -27.373 1.00 0.00 H new ATOM 0 HG3 GLN A 74 23.633 -5.932 -25.989 1.00 0.00 H new ATOM 0 HE21 GLN A 74 24.888 -8.801 -27.175 1.00 0.00 H new ATOM 0 HE22 GLN A 74 23.842 -9.939 -26.320 1.00 0.00 H new ATOM 1203 N LEU A 84 15.201 9.817 -17.378 1.00 0.00 N ATOM 1204 CA LEU A 84 14.572 9.863 -16.025 1.00 0.00 C ATOM 1205 C LEU A 84 13.055 10.042 -16.151 1.00 0.00 C ATOM 1206 O LEU A 84 12.305 9.690 -15.263 1.00 0.00 O ATOM 1207 CB LEU A 84 15.199 11.076 -15.334 1.00 0.00 C ATOM 1208 CG LEU A 84 16.698 10.831 -15.126 1.00 0.00 C ATOM 1209 CD1 LEU A 84 17.502 11.859 -15.925 1.00 0.00 C ATOM 1210 CD2 LEU A 84 17.037 10.967 -13.639 1.00 0.00 C ATOM 0 HA LEU A 84 14.738 8.944 -15.463 1.00 0.00 H new ATOM 0 HB2 LEU A 84 15.047 11.970 -15.938 1.00 0.00 H new ATOM 0 HB3 LEU A 84 14.712 11.253 -14.375 1.00 0.00 H new ATOM 0 HG LEU A 84 16.950 9.827 -15.468 1.00 0.00 H new ATOM 0 HD11 LEU A 84 18.567 11.683 -15.776 1.00 0.00 H new ATOM 0 HD12 LEU A 84 17.263 11.764 -16.984 1.00 0.00 H new ATOM 0 HD13 LEU A 84 17.249 12.863 -15.585 1.00 0.00 H new ATOM 0 HD21 LEU A 84 18.103 10.793 -13.491 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.783 11.971 -13.298 1.00 0.00 H new ATOM 0 HD23 LEU A 84 16.467 10.235 -13.067 1.00 0.00 H new ATOM 1222 N SER A 85 12.601 10.586 -17.249 1.00 0.00 N ATOM 1223 CA SER A 85 11.132 10.786 -17.432 1.00 0.00 C ATOM 1224 C SER A 85 10.404 9.439 -17.390 1.00 0.00 C ATOM 1225 O SER A 85 9.240 9.363 -17.047 1.00 0.00 O ATOM 1226 CB SER A 85 10.987 11.430 -18.811 1.00 0.00 C ATOM 1227 OG SER A 85 11.231 10.451 -19.813 1.00 0.00 O ATOM 0 H SER A 85 13.182 10.900 -18.026 1.00 0.00 H new ATOM 0 HA SER A 85 10.700 11.405 -16.646 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.986 11.846 -18.928 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.690 12.257 -18.915 1.00 0.00 H new ATOM 0 HG SER A 85 11.137 10.859 -20.699 1.00 0.00 H new ATOM 1233 N SER A 86 11.081 8.376 -17.737 1.00 0.00 N ATOM 1234 CA SER A 86 10.428 7.034 -17.718 1.00 0.00 C ATOM 1235 C SER A 86 10.934 6.216 -16.527 1.00 0.00 C ATOM 1236 O SER A 86 11.122 5.018 -16.621 1.00 0.00 O ATOM 1237 CB SER A 86 10.838 6.376 -19.034 1.00 0.00 C ATOM 1238 OG SER A 86 10.491 7.232 -20.115 1.00 0.00 O ATOM 0 H SER A 86 12.057 8.379 -18.033 1.00 0.00 H new ATOM 0 HA SER A 86 9.345 7.103 -17.617 1.00 0.00 H new ATOM 0 HB2 SER A 86 11.911 6.182 -19.038 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.340 5.413 -19.143 1.00 0.00 H new ATOM 0 HG SER A 86 10.754 6.814 -20.961 1.00 0.00 H new ATOM 1244 N MET A 87 11.154 6.854 -15.409 1.00 0.00 N ATOM 1245 CA MET A 87 11.647 6.113 -14.210 1.00 0.00 C ATOM 1246 C MET A 87 10.570 6.096 -13.121 1.00 0.00 C ATOM 1247 O MET A 87 9.921 7.090 -12.863 1.00 0.00 O ATOM 1248 CB MET A 87 12.875 6.893 -13.738 1.00 0.00 C ATOM 1249 CG MET A 87 14.112 6.408 -14.496 1.00 0.00 C ATOM 1250 SD MET A 87 15.603 7.023 -13.674 1.00 0.00 S ATOM 1251 CE MET A 87 16.764 5.834 -14.388 1.00 0.00 C ATOM 0 H MET A 87 11.014 7.855 -15.273 1.00 0.00 H new ATOM 0 HA MET A 87 11.887 5.074 -14.436 1.00 0.00 H new ATOM 0 HB2 MET A 87 12.728 7.960 -13.906 1.00 0.00 H new ATOM 0 HB3 MET A 87 13.016 6.756 -12.666 1.00 0.00 H new ATOM 0 HG2 MET A 87 14.126 5.319 -14.531 1.00 0.00 H new ATOM 0 HG3 MET A 87 14.081 6.760 -15.527 1.00 0.00 H new ATOM 0 HE1 MET A 87 17.767 6.033 -14.010 1.00 0.00 H new ATOM 0 HE2 MET A 87 16.465 4.823 -14.111 1.00 0.00 H new ATOM 0 HE3 MET A 87 16.760 5.929 -15.474 1.00 0.00 H new ATOM 1261 N THR A 88 10.378 4.972 -12.483 1.00 0.00 N ATOM 1262 CA THR A 88 9.343 4.887 -11.410 1.00 0.00 C ATOM 1263 C THR A 88 9.844 5.568 -10.134 1.00 0.00 C ATOM 1264 O THR A 88 10.996 5.946 -10.033 1.00 0.00 O ATOM 1265 CB THR A 88 9.141 3.389 -11.169 1.00 0.00 C ATOM 1266 OG1 THR A 88 10.364 2.815 -10.728 1.00 0.00 O ATOM 1267 CG2 THR A 88 8.698 2.713 -12.467 1.00 0.00 C ATOM 0 H THR A 88 10.893 4.109 -12.658 1.00 0.00 H new ATOM 0 HA THR A 88 8.416 5.385 -11.694 1.00 0.00 H new ATOM 0 HB THR A 88 8.373 3.244 -10.409 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.302 2.608 -9.772 1.00 0.00 H new ATOM 0 HG21 THR A 88 8.555 1.647 -12.292 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.760 3.154 -12.805 1.00 0.00 H new ATOM 0 HG23 THR A 88 9.462 2.856 -13.231 1.00 0.00 H new ATOM 1275 N GLU A 89 8.988 5.725 -9.159 1.00 0.00 N ATOM 1276 CA GLU A 89 9.411 6.380 -7.885 1.00 0.00 C ATOM 1277 C GLU A 89 10.594 5.627 -7.268 1.00 0.00 C ATOM 1278 O GLU A 89 11.426 6.205 -6.596 1.00 0.00 O ATOM 1279 CB GLU A 89 8.185 6.307 -6.970 1.00 0.00 C ATOM 1280 CG GLU A 89 7.805 4.844 -6.726 1.00 0.00 C ATOM 1281 CD GLU A 89 6.429 4.778 -6.063 1.00 0.00 C ATOM 1282 OE1 GLU A 89 6.242 5.449 -5.062 1.00 0.00 O ATOM 1283 OE2 GLU A 89 5.584 4.056 -6.568 1.00 0.00 O ATOM 0 H GLU A 89 8.013 5.428 -9.189 1.00 0.00 H new ATOM 0 HA GLU A 89 9.739 7.408 -8.040 1.00 0.00 H new ATOM 0 HB2 GLU A 89 8.398 6.800 -6.021 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.349 6.838 -7.424 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.792 4.298 -7.669 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.550 4.365 -6.091 1.00 0.00 H new ATOM 1290 N GLU A 90 10.677 4.342 -7.496 1.00 0.00 N ATOM 1291 CA GLU A 90 11.810 3.556 -6.927 1.00 0.00 C ATOM 1292 C GLU A 90 13.035 3.675 -7.837 1.00 0.00 C ATOM 1293 O GLU A 90 14.159 3.706 -7.377 1.00 0.00 O ATOM 1294 CB GLU A 90 11.318 2.110 -6.877 1.00 0.00 C ATOM 1295 CG GLU A 90 10.059 2.023 -6.011 1.00 0.00 C ATOM 1296 CD GLU A 90 9.984 0.644 -5.355 1.00 0.00 C ATOM 1297 OE1 GLU A 90 10.322 -0.324 -6.016 1.00 0.00 O ATOM 1298 OE2 GLU A 90 9.590 0.578 -4.202 1.00 0.00 O ATOM 0 H GLU A 90 10.010 3.805 -8.050 1.00 0.00 H new ATOM 0 HA GLU A 90 12.104 3.913 -5.940 1.00 0.00 H new ATOM 0 HB2 GLU A 90 11.103 1.754 -7.885 1.00 0.00 H new ATOM 0 HB3 GLU A 90 12.096 1.465 -6.470 1.00 0.00 H new ATOM 0 HG2 GLU A 90 10.076 2.800 -5.247 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.173 2.196 -6.621 1.00 0.00 H new ATOM 1305 N GLU A 91 12.824 3.749 -9.127 1.00 0.00 N ATOM 1306 CA GLU A 91 13.978 3.872 -10.069 1.00 0.00 C ATOM 1307 C GLU A 91 14.843 5.074 -9.678 1.00 0.00 C ATOM 1308 O GLU A 91 16.000 4.932 -9.334 1.00 0.00 O ATOM 1309 CB GLU A 91 13.347 4.090 -11.445 1.00 0.00 C ATOM 1310 CG GLU A 91 13.392 2.784 -12.242 1.00 0.00 C ATOM 1311 CD GLU A 91 14.775 2.619 -12.875 1.00 0.00 C ATOM 1312 OE1 GLU A 91 15.748 2.634 -12.140 1.00 0.00 O ATOM 1313 OE2 GLU A 91 14.837 2.481 -14.086 1.00 0.00 O ATOM 0 H GLU A 91 11.904 3.730 -9.568 1.00 0.00 H new ATOM 0 HA GLU A 91 14.623 2.993 -10.054 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.316 4.425 -11.335 1.00 0.00 H new ATOM 0 HB3 GLU A 91 13.881 4.874 -11.981 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.177 1.939 -11.588 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.625 2.792 -13.016 1.00 0.00 H new ATOM 1320 N GLN A 92 14.284 6.256 -9.719 1.00 0.00 N ATOM 1321 CA GLN A 92 15.072 7.465 -9.338 1.00 0.00 C ATOM 1322 C GLN A 92 15.536 7.336 -7.885 1.00 0.00 C ATOM 1323 O GLN A 92 16.573 7.845 -7.505 1.00 0.00 O ATOM 1324 CB GLN A 92 14.105 8.641 -9.493 1.00 0.00 C ATOM 1325 CG GLN A 92 13.675 8.759 -10.956 1.00 0.00 C ATOM 1326 CD GLN A 92 13.151 10.172 -11.222 1.00 0.00 C ATOM 1327 OE1 GLN A 92 13.784 11.144 -10.862 1.00 0.00 O ATOM 1328 NE2 GLN A 92 12.014 10.327 -11.843 1.00 0.00 N ATOM 0 H GLN A 92 13.320 6.435 -9.999 1.00 0.00 H new ATOM 0 HA GLN A 92 15.962 7.596 -9.954 1.00 0.00 H new ATOM 0 HB2 GLN A 92 13.232 8.494 -8.857 1.00 0.00 H new ATOM 0 HB3 GLN A 92 14.584 9.565 -9.168 1.00 0.00 H new ATOM 0 HG2 GLN A 92 14.518 8.543 -11.612 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.901 8.025 -11.179 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.483 9.511 -12.145 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.657 11.265 -12.026 1.00 0.00 H new ATOM 1337 N ILE A 93 14.774 6.649 -7.076 1.00 0.00 N ATOM 1338 CA ILE A 93 15.166 6.469 -5.647 1.00 0.00 C ATOM 1339 C ILE A 93 16.429 5.605 -5.569 1.00 0.00 C ATOM 1340 O ILE A 93 17.322 5.867 -4.788 1.00 0.00 O ATOM 1341 CB ILE A 93 13.959 5.773 -4.993 1.00 0.00 C ATOM 1342 CG1 ILE A 93 13.175 6.802 -4.171 1.00 0.00 C ATOM 1343 CG2 ILE A 93 14.425 4.632 -4.078 1.00 0.00 C ATOM 1344 CD1 ILE A 93 11.977 6.126 -3.501 1.00 0.00 C ATOM 0 H ILE A 93 13.896 6.204 -7.343 1.00 0.00 H new ATOM 0 HA ILE A 93 15.399 7.407 -5.143 1.00 0.00 H new ATOM 0 HB ILE A 93 13.324 5.354 -5.773 1.00 0.00 H new ATOM 0 HG12 ILE A 93 13.822 7.247 -3.416 1.00 0.00 H new ATOM 0 HG13 ILE A 93 12.834 7.612 -4.816 1.00 0.00 H new ATOM 0 HG21 ILE A 93 13.558 4.152 -3.625 1.00 0.00 H new ATOM 0 HG22 ILE A 93 14.980 3.900 -4.664 1.00 0.00 H new ATOM 0 HG23 ILE A 93 15.068 5.033 -3.295 1.00 0.00 H new ATOM 0 HD11 ILE A 93 11.423 6.862 -2.918 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.325 5.702 -4.264 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.329 5.332 -2.843 1.00 0.00 H new ATOM 1356 N ALA A 94 16.508 4.581 -6.375 1.00 0.00 N ATOM 1357 CA ALA A 94 17.716 3.705 -6.352 1.00 0.00 C ATOM 1358 C ALA A 94 18.946 4.515 -6.764 1.00 0.00 C ATOM 1359 O ALA A 94 20.051 4.247 -6.337 1.00 0.00 O ATOM 1360 CB ALA A 94 17.430 2.601 -7.370 1.00 0.00 C ATOM 0 H ALA A 94 15.790 4.313 -7.048 1.00 0.00 H new ATOM 0 HA ALA A 94 17.916 3.294 -5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 94 18.276 1.915 -7.410 1.00 0.00 H new ATOM 0 HB2 ALA A 94 16.534 2.056 -7.073 1.00 0.00 H new ATOM 0 HB3 ALA A 94 17.276 3.044 -8.354 1.00 0.00 H new ATOM 1366 N TYR A 95 18.757 5.510 -7.588 1.00 0.00 N ATOM 1367 CA TYR A 95 19.906 6.349 -8.031 1.00 0.00 C ATOM 1368 C TYR A 95 20.177 7.450 -7.001 1.00 0.00 C ATOM 1369 O TYR A 95 21.311 7.755 -6.685 1.00 0.00 O ATOM 1370 CB TYR A 95 19.460 6.953 -9.363 1.00 0.00 C ATOM 1371 CG TYR A 95 20.666 7.221 -10.236 1.00 0.00 C ATOM 1372 CD1 TYR A 95 21.622 6.219 -10.442 1.00 0.00 C ATOM 1373 CD2 TYR A 95 20.823 8.474 -10.840 1.00 0.00 C ATOM 1374 CE1 TYR A 95 22.735 6.470 -11.253 1.00 0.00 C ATOM 1375 CE2 TYR A 95 21.937 8.725 -11.651 1.00 0.00 C ATOM 1376 CZ TYR A 95 22.893 7.723 -11.857 1.00 0.00 C ATOM 1377 OH TYR A 95 23.990 7.970 -12.656 1.00 0.00 O ATOM 0 H TYR A 95 17.852 5.778 -7.975 1.00 0.00 H new ATOM 0 HA TYR A 95 20.828 5.776 -8.134 1.00 0.00 H new ATOM 0 HB2 TYR A 95 18.777 6.272 -9.871 1.00 0.00 H new ATOM 0 HB3 TYR A 95 18.914 7.880 -9.187 1.00 0.00 H new ATOM 0 HD1 TYR A 95 21.501 5.253 -9.975 1.00 0.00 H new ATOM 0 HD2 TYR A 95 20.086 9.247 -10.681 1.00 0.00 H new ATOM 0 HE1 TYR A 95 23.472 5.697 -11.413 1.00 0.00 H new ATOM 0 HE2 TYR A 95 22.059 9.691 -12.117 1.00 0.00 H new ATOM 0 HH TYR A 95 23.946 8.887 -12.998 1.00 0.00 H new ATOM 1387 N ALA A 96 19.140 8.046 -6.473 1.00 0.00 N ATOM 1388 CA ALA A 96 19.330 9.127 -5.461 1.00 0.00 C ATOM 1389 C ALA A 96 19.756 8.524 -4.119 1.00 0.00 C ATOM 1390 O ALA A 96 20.452 9.148 -3.341 1.00 0.00 O ATOM 1391 CB ALA A 96 17.965 9.803 -5.337 1.00 0.00 C ATOM 0 H ALA A 96 18.169 7.831 -6.699 1.00 0.00 H new ATOM 0 HA ALA A 96 20.107 9.834 -5.753 1.00 0.00 H new ATOM 0 HB1 ALA A 96 18.024 10.612 -4.608 1.00 0.00 H new ATOM 0 HB2 ALA A 96 17.670 10.208 -6.305 1.00 0.00 H new ATOM 0 HB3 ALA A 96 17.226 9.072 -5.009 1.00 0.00 H new ATOM 1397 N MET A 97 19.350 7.313 -3.846 1.00 0.00 N ATOM 1398 CA MET A 97 19.736 6.667 -2.560 1.00 0.00 C ATOM 1399 C MET A 97 21.134 6.063 -2.684 1.00 0.00 C ATOM 1400 O MET A 97 21.850 5.921 -1.711 1.00 0.00 O ATOM 1401 CB MET A 97 18.695 5.569 -2.337 1.00 0.00 C ATOM 1402 CG MET A 97 18.948 4.890 -0.990 1.00 0.00 C ATOM 1403 SD MET A 97 18.058 5.780 0.312 1.00 0.00 S ATOM 1404 CE MET A 97 17.713 4.351 1.367 1.00 0.00 C ATOM 0 H MET A 97 18.767 6.743 -4.459 1.00 0.00 H new ATOM 0 HA MET A 97 19.762 7.373 -1.730 1.00 0.00 H new ATOM 0 HB2 MET A 97 17.692 5.995 -2.359 1.00 0.00 H new ATOM 0 HB3 MET A 97 18.747 4.835 -3.141 1.00 0.00 H new ATOM 0 HG2 MET A 97 18.618 3.852 -1.026 1.00 0.00 H new ATOM 0 HG3 MET A 97 20.016 4.877 -0.772 1.00 0.00 H new ATOM 0 HE1 MET A 97 17.159 4.675 2.248 1.00 0.00 H new ATOM 0 HE2 MET A 97 17.120 3.624 0.812 1.00 0.00 H new ATOM 0 HE3 MET A 97 18.652 3.892 1.677 1.00 0.00 H new ATOM 1414 N GLN A 98 21.531 5.711 -3.878 1.00 0.00 N ATOM 1415 CA GLN A 98 22.885 5.121 -4.070 1.00 0.00 C ATOM 1416 C GLN A 98 23.955 6.201 -3.902 1.00 0.00 C ATOM 1417 O GLN A 98 24.986 5.979 -3.297 1.00 0.00 O ATOM 1418 CB GLN A 98 22.887 4.577 -5.501 1.00 0.00 C ATOM 1419 CG GLN A 98 24.241 3.924 -5.800 1.00 0.00 C ATOM 1420 CD GLN A 98 24.782 4.448 -7.132 1.00 0.00 C ATOM 1421 OE1 GLN A 98 24.383 3.992 -8.185 1.00 0.00 O ATOM 1422 NE2 GLN A 98 25.681 5.394 -7.130 1.00 0.00 N ATOM 0 H GLN A 98 20.975 5.807 -4.728 1.00 0.00 H new ATOM 0 HA GLN A 98 23.103 4.340 -3.342 1.00 0.00 H new ATOM 0 HB2 GLN A 98 22.085 3.849 -5.625 1.00 0.00 H new ATOM 0 HB3 GLN A 98 22.697 5.384 -6.208 1.00 0.00 H new ATOM 0 HG2 GLN A 98 24.946 4.143 -4.998 1.00 0.00 H new ATOM 0 HG3 GLN A 98 24.132 2.840 -5.842 1.00 0.00 H new ATOM 0 HE21 GLN A 98 26.016 5.777 -6.246 1.00 0.00 H new ATOM 0 HE22 GLN A 98 26.048 5.750 -8.012 1.00 0.00 H new ATOM 1431 N MET A 99 23.716 7.371 -4.432 1.00 0.00 N ATOM 1432 CA MET A 99 24.716 8.470 -4.302 1.00 0.00 C ATOM 1433 C MET A 99 24.685 9.047 -2.884 1.00 0.00 C ATOM 1434 O MET A 99 25.671 9.558 -2.390 1.00 0.00 O ATOM 1435 CB MET A 99 24.284 9.526 -5.321 1.00 0.00 C ATOM 1436 CG MET A 99 25.351 10.619 -5.408 1.00 0.00 C ATOM 1437 SD MET A 99 26.652 10.103 -6.556 1.00 0.00 S ATOM 1438 CE MET A 99 26.147 11.139 -7.951 1.00 0.00 C ATOM 0 H MET A 99 22.871 7.613 -4.950 1.00 0.00 H new ATOM 0 HA MET A 99 25.734 8.124 -4.483 1.00 0.00 H new ATOM 0 HB2 MET A 99 24.139 9.066 -6.298 1.00 0.00 H new ATOM 0 HB3 MET A 99 23.328 9.959 -5.028 1.00 0.00 H new ATOM 0 HG2 MET A 99 24.903 11.553 -5.746 1.00 0.00 H new ATOM 0 HG3 MET A 99 25.775 10.807 -4.422 1.00 0.00 H new ATOM 0 HE1 MET A 99 26.826 10.978 -8.788 1.00 0.00 H new ATOM 0 HE2 MET A 99 25.132 10.876 -8.251 1.00 0.00 H new ATOM 0 HE3 MET A 99 26.178 12.188 -7.655 1.00 0.00 H new ATOM 1448 N SER A 100 23.558 8.965 -2.226 1.00 0.00 N ATOM 1449 CA SER A 100 23.462 9.507 -0.838 1.00 0.00 C ATOM 1450 C SER A 100 24.242 8.618 0.134 1.00 0.00 C ATOM 1451 O SER A 100 24.719 9.071 1.156 1.00 0.00 O ATOM 1452 CB SER A 100 21.970 9.485 -0.505 1.00 0.00 C ATOM 1453 OG SER A 100 21.754 10.164 0.726 1.00 0.00 O ATOM 0 H SER A 100 22.701 8.547 -2.589 1.00 0.00 H new ATOM 0 HA SER A 100 23.883 10.509 -0.758 1.00 0.00 H new ATOM 0 HB2 SER A 100 21.400 9.963 -1.302 1.00 0.00 H new ATOM 0 HB3 SER A 100 21.617 8.456 -0.433 1.00 0.00 H new ATOM 0 HG SER A 100 20.798 10.153 0.942 1.00 0.00 H new ATOM 1459 N LEU A 101 24.376 7.356 -0.177 1.00 0.00 N ATOM 1460 CA LEU A 101 25.126 6.438 0.729 1.00 0.00 C ATOM 1461 C LEU A 101 26.589 6.340 0.289 1.00 0.00 C ATOM 1462 O LEU A 101 27.152 5.267 0.205 1.00 0.00 O ATOM 1463 CB LEU A 101 24.429 5.083 0.588 1.00 0.00 C ATOM 1464 CG LEU A 101 24.214 4.471 1.974 1.00 0.00 C ATOM 1465 CD1 LEU A 101 23.098 5.226 2.697 1.00 0.00 C ATOM 1466 CD2 LEU A 101 23.819 3.000 1.825 1.00 0.00 C ATOM 0 H LEU A 101 23.999 6.921 -1.019 1.00 0.00 H new ATOM 0 HA LEU A 101 25.129 6.788 1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 101 23.472 5.206 0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 101 25.032 4.414 -0.027 1.00 0.00 H new ATOM 0 HG LEU A 101 25.136 4.544 2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 101 22.944 4.790 3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 101 23.377 6.274 2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 101 22.176 5.152 2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 101 23.666 2.563 2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 101 22.897 2.928 1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 101 24.613 2.461 1.309 1.00 0.00 H new