USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 561 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 18 SER OG : rot 180:sc= -0.449 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= -0.804 USER MOD Set 2.1: A 46 THR OG1 : rot -83:sc= 2.36 USER MOD Set 2.2: A 48 THR OG1 : rot -84:sc= 1.15 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -149:sc= -0.477 (180deg=-1.71!) USER MOD Single : A 27 HIS : no HD1:sc= -7.49! C(o=-7.5!,f=-11!) USER MOD Single : A 28 HIS : no HD1:sc= -3.19! C(o=-3.2!,f=-9.1!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.972 K(o=-0.97,f=-0.29) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.021) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.469 K(o=0.47,f=-3.4!) USER MOD Single : A 61 GLN : amide:sc= -0.899 K(o=-0.9,f=-2.4!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.458 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.544 X(o=-0.54,f=-0.098) USER MOD Single : A 82 SER OG : rot 99:sc= 1.15 USER MOD Single : A 85 GLN : amide:sc= -1.19 X(o=-1.2,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 214 N ALA A 17 12.427 -7.550 -3.479 1.00 0.00 N ATOM 215 CA ALA A 17 11.304 -7.649 -4.403 1.00 0.00 C ATOM 216 C ALA A 17 10.458 -6.380 -4.377 1.00 0.00 C ATOM 217 O ALA A 17 10.626 -5.529 -3.503 1.00 0.00 O ATOM 218 CB ALA A 17 10.449 -8.862 -4.067 1.00 0.00 C ATOM 0 HA ALA A 17 11.704 -7.768 -5.410 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.614 -8.923 -4.765 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.053 -9.766 -4.144 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.066 -8.767 -3.051 1.00 0.00 H new ATOM 224 N SER A 18 9.550 -6.259 -5.341 1.00 0.00 N ATOM 225 CA SER A 18 8.681 -5.092 -5.430 1.00 0.00 C ATOM 226 C SER A 18 7.309 -5.476 -5.976 1.00 0.00 C ATOM 227 O SER A 18 7.203 -6.150 -6.999 1.00 0.00 O ATOM 228 CB SER A 18 9.317 -4.024 -6.321 1.00 0.00 C ATOM 229 OG SER A 18 10.728 -4.023 -6.189 1.00 0.00 O ATOM 0 H SER A 18 9.398 -6.955 -6.071 1.00 0.00 H new ATOM 0 HA SER A 18 8.552 -4.688 -4.426 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.046 -4.205 -7.361 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.923 -3.043 -6.056 1.00 0.00 H new ATOM 0 HG SER A 18 11.110 -3.332 -6.770 1.00 0.00 H new ATOM 235 N ALA A 19 6.261 -5.041 -5.284 1.00 0.00 N ATOM 236 CA ALA A 19 4.896 -5.336 -5.699 1.00 0.00 C ATOM 237 C ALA A 19 4.113 -4.055 -5.967 1.00 0.00 C ATOM 238 O ALA A 19 4.617 -2.951 -5.754 1.00 0.00 O ATOM 239 CB ALA A 19 4.192 -6.176 -4.642 1.00 0.00 C ATOM 0 H ALA A 19 6.332 -4.483 -4.433 1.00 0.00 H new ATOM 0 HA ALA A 19 4.941 -5.904 -6.628 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.173 -6.389 -4.966 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.732 -7.113 -4.503 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.167 -5.629 -3.700 1.00 0.00 H new ATOM 245 N THR A 20 2.879 -4.208 -6.435 1.00 0.00 N ATOM 246 CA THR A 20 2.028 -3.063 -6.733 1.00 0.00 C ATOM 247 C THR A 20 0.591 -3.313 -6.284 1.00 0.00 C ATOM 248 O THR A 20 0.179 -4.459 -6.101 1.00 0.00 O ATOM 249 CB THR A 20 2.033 -2.737 -8.239 1.00 0.00 C ATOM 250 OG1 THR A 20 2.241 -3.932 -8.999 1.00 0.00 O ATOM 251 CG2 THR A 20 3.119 -1.724 -8.568 1.00 0.00 C ATOM 0 H THR A 20 2.446 -5.114 -6.616 1.00 0.00 H new ATOM 0 HA THR A 20 2.435 -2.215 -6.183 1.00 0.00 H new ATOM 0 HB THR A 20 1.066 -2.307 -8.499 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.241 -3.716 -9.955 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.104 -1.509 -9.636 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.940 -0.805 -8.010 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.092 -2.132 -8.294 1.00 0.00 H new ATOM 259 N VAL A 21 -0.165 -2.234 -6.109 1.00 0.00 N ATOM 260 CA VAL A 21 -1.555 -2.338 -5.684 1.00 0.00 C ATOM 261 C VAL A 21 -2.460 -1.458 -6.541 1.00 0.00 C ATOM 262 O VAL A 21 -2.416 -0.232 -6.451 1.00 0.00 O ATOM 263 CB VAL A 21 -1.721 -1.938 -4.205 1.00 0.00 C ATOM 264 CG1 VAL A 21 -1.120 -0.563 -3.954 1.00 0.00 C ATOM 265 CG2 VAL A 21 -3.189 -1.968 -3.807 1.00 0.00 C ATOM 0 H VAL A 21 0.162 -1.279 -6.255 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.846 -3.381 -5.806 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.186 -2.660 -3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.246 -0.297 -2.905 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.058 -0.580 -4.199 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.625 0.174 -4.579 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.288 -1.683 -2.760 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.749 -1.268 -4.428 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.584 -2.974 -3.948 1.00 0.00 H new ATOM 275 N ALA A 22 -3.278 -2.095 -7.373 1.00 0.00 N ATOM 276 CA ALA A 22 -4.195 -1.371 -8.244 1.00 0.00 C ATOM 277 C ALA A 22 -5.328 -0.737 -7.445 1.00 0.00 C ATOM 278 O ALA A 22 -6.201 -1.434 -6.928 1.00 0.00 O ATOM 279 CB ALA A 22 -4.755 -2.301 -9.311 1.00 0.00 C ATOM 0 H ALA A 22 -3.324 -3.110 -7.462 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.638 -0.571 -8.731 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.438 -1.747 -9.954 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.937 -2.702 -9.910 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.291 -3.121 -8.834 1.00 0.00 H new ATOM 285 N ILE A 23 -5.307 0.589 -7.348 1.00 0.00 N ATOM 286 CA ILE A 23 -6.334 1.316 -6.611 1.00 0.00 C ATOM 287 C ILE A 23 -6.707 2.611 -7.323 1.00 0.00 C ATOM 288 O ILE A 23 -5.938 3.159 -8.114 1.00 0.00 O ATOM 289 CB ILE A 23 -5.871 1.645 -5.179 1.00 0.00 C ATOM 290 CG1 ILE A 23 -4.394 2.043 -5.174 1.00 0.00 C ATOM 291 CG2 ILE A 23 -6.109 0.457 -4.260 1.00 0.00 C ATOM 292 CD1 ILE A 23 -3.856 2.352 -3.796 1.00 0.00 C ATOM 0 H ILE A 23 -4.591 1.181 -7.770 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.208 0.667 -6.562 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.455 2.488 -4.809 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.807 1.235 -5.611 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.259 2.917 -5.812 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.777 0.705 -3.252 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.172 0.217 -4.243 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.549 -0.404 -4.625 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.804 2.626 -3.869 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.418 3.180 -3.363 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.958 1.473 -3.160 1.00 0.00 H new ATOM 304 N PRO A 24 -7.917 3.116 -7.037 1.00 0.00 N ATOM 305 CA PRO A 24 -8.420 4.355 -7.637 1.00 0.00 C ATOM 306 C PRO A 24 -7.677 5.588 -7.132 1.00 0.00 C ATOM 307 O PRO A 24 -7.335 5.679 -5.953 1.00 0.00 O ATOM 308 CB PRO A 24 -9.884 4.394 -7.195 1.00 0.00 C ATOM 309 CG PRO A 24 -9.923 3.593 -5.940 1.00 0.00 C ATOM 310 CD PRO A 24 -8.885 2.516 -6.104 1.00 0.00 C ATOM 0 HA PRO A 24 -8.287 4.367 -8.719 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.218 5.417 -7.022 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.539 3.969 -7.956 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.705 4.216 -5.072 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.912 3.162 -5.783 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.420 2.258 -5.153 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.317 1.600 -6.507 1.00 0.00 H new ATOM 318 N LYS A 25 -7.431 6.534 -8.031 1.00 0.00 N ATOM 319 CA LYS A 25 -6.731 7.763 -7.677 1.00 0.00 C ATOM 320 C LYS A 25 -7.453 8.495 -6.551 1.00 0.00 C ATOM 321 O LYS A 25 -6.912 9.429 -5.960 1.00 0.00 O ATOM 322 CB LYS A 25 -6.610 8.676 -8.899 1.00 0.00 C ATOM 323 CG LYS A 25 -5.608 8.185 -9.930 1.00 0.00 C ATOM 324 CD LYS A 25 -4.969 9.342 -10.680 1.00 0.00 C ATOM 325 CE LYS A 25 -5.758 9.698 -11.931 1.00 0.00 C ATOM 326 NZ LYS A 25 -6.107 8.490 -12.729 1.00 0.00 N ATOM 0 H LYS A 25 -7.706 6.473 -9.011 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.732 7.496 -7.331 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.588 8.768 -9.371 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.320 9.674 -8.569 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.834 7.598 -9.436 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.107 7.523 -10.637 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.909 10.212 -10.026 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.948 9.079 -10.955 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.671 10.222 -11.648 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.174 10.383 -12.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.148 8.740 -13.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.384 7.757 -12.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.033 8.128 -12.424 1.00 0.00 H new ATOM 340 N GLU A 26 -8.676 8.064 -6.259 1.00 0.00 N ATOM 341 CA GLU A 26 -9.471 8.681 -5.204 1.00 0.00 C ATOM 342 C GLU A 26 -9.068 8.141 -3.834 1.00 0.00 C ATOM 343 O GLU A 26 -9.298 8.783 -2.809 1.00 0.00 O ATOM 344 CB GLU A 26 -10.961 8.430 -5.444 1.00 0.00 C ATOM 345 CG GLU A 26 -11.469 7.140 -4.822 1.00 0.00 C ATOM 346 CD GLU A 26 -12.693 6.593 -5.532 1.00 0.00 C ATOM 347 OE1 GLU A 26 -12.614 6.366 -6.758 1.00 0.00 O ATOM 348 OE2 GLU A 26 -13.727 6.391 -4.862 1.00 0.00 O ATOM 0 H GLU A 26 -9.137 7.291 -6.738 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.283 9.755 -5.223 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.531 9.267 -5.041 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.148 8.404 -6.517 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.676 6.393 -4.845 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.710 7.317 -3.774 1.00 0.00 H new ATOM 355 N HIS A 27 -8.465 6.956 -3.825 1.00 0.00 N ATOM 356 CA HIS A 27 -8.030 6.329 -2.583 1.00 0.00 C ATOM 357 C HIS A 27 -6.572 6.669 -2.284 1.00 0.00 C ATOM 358 O HIS A 27 -6.135 6.612 -1.135 1.00 0.00 O ATOM 359 CB HIS A 27 -8.205 4.812 -2.664 1.00 0.00 C ATOM 360 CG HIS A 27 -9.638 4.374 -2.671 1.00 0.00 C ATOM 361 ND1 HIS A 27 -10.031 3.094 -3.001 1.00 0.00 N ATOM 362 CD2 HIS A 27 -10.773 5.054 -2.384 1.00 0.00 C ATOM 363 CE1 HIS A 27 -11.347 3.006 -2.918 1.00 0.00 C ATOM 364 NE2 HIS A 27 -11.821 4.182 -2.546 1.00 0.00 N ATOM 0 H HIS A 27 -8.267 6.411 -4.664 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.649 6.716 -1.774 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.717 4.446 -3.567 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.697 4.350 -1.818 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -10.841 6.089 -2.084 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.935 2.123 -3.120 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.806 4.406 -2.402 1.00 0.00 H new ATOM 372 N HIS A 28 -5.827 7.022 -3.327 1.00 0.00 N ATOM 373 CA HIS A 28 -4.418 7.371 -3.175 1.00 0.00 C ATOM 374 C HIS A 28 -4.229 8.387 -2.053 1.00 0.00 C ATOM 375 O HIS A 28 -3.226 8.357 -1.339 1.00 0.00 O ATOM 376 CB HIS A 28 -3.868 7.933 -4.487 1.00 0.00 C ATOM 377 CG HIS A 28 -3.437 6.877 -5.457 1.00 0.00 C ATOM 378 ND1 HIS A 28 -2.399 7.052 -6.347 1.00 0.00 N ATOM 379 CD2 HIS A 28 -3.910 5.628 -5.672 1.00 0.00 C ATOM 380 CE1 HIS A 28 -2.253 5.955 -7.070 1.00 0.00 C ATOM 381 NE2 HIS A 28 -3.156 5.076 -6.680 1.00 0.00 N ATOM 0 H HIS A 28 -6.174 7.074 -4.285 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.869 6.466 -2.917 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.632 8.555 -4.955 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.020 8.581 -4.268 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -4.727 5.153 -5.149 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.519 5.804 -7.848 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.275 4.139 -7.064 1.00 0.00 H new ATOM 389 N ARG A 29 -5.197 9.284 -1.903 1.00 0.00 N ATOM 390 CA ARG A 29 -5.135 10.310 -0.868 1.00 0.00 C ATOM 391 C ARG A 29 -5.286 9.693 0.519 1.00 0.00 C ATOM 392 O ARG A 29 -4.592 10.078 1.461 1.00 0.00 O ATOM 393 CB ARG A 29 -6.225 11.359 -1.094 1.00 0.00 C ATOM 394 CG ARG A 29 -7.629 10.845 -0.824 1.00 0.00 C ATOM 395 CD ARG A 29 -8.673 11.924 -1.067 1.00 0.00 C ATOM 396 NE ARG A 29 -9.955 11.361 -1.483 1.00 0.00 N ATOM 397 CZ ARG A 29 -11.116 11.991 -1.339 1.00 0.00 C ATOM 398 NH1 ARG A 29 -11.156 13.199 -0.794 1.00 0.00 N ATOM 399 NH2 ARG A 29 -12.240 11.413 -1.743 1.00 0.00 N ATOM 0 H ARG A 29 -6.034 9.322 -2.485 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.159 10.792 -0.927 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.031 12.217 -0.450 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.169 11.714 -2.123 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.834 9.988 -1.466 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.698 10.496 0.206 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.811 12.506 -0.156 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.313 12.611 -1.833 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.959 10.433 -1.907 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.294 13.647 -0.484 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -12.049 13.680 -0.685 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -12.213 10.484 -2.164 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -13.131 11.897 -1.632 1.00 0.00 H new ATOM 413 N PHE A 30 -6.198 8.734 0.637 1.00 0.00 N ATOM 414 CA PHE A 30 -6.442 8.064 1.910 1.00 0.00 C ATOM 415 C PHE A 30 -5.198 7.316 2.379 1.00 0.00 C ATOM 416 O PHE A 30 -5.126 6.861 3.520 1.00 0.00 O ATOM 417 CB PHE A 30 -7.617 7.092 1.781 1.00 0.00 C ATOM 418 CG PHE A 30 -8.959 7.752 1.920 1.00 0.00 C ATOM 419 CD1 PHE A 30 -9.532 7.930 3.170 1.00 0.00 C ATOM 420 CD2 PHE A 30 -9.648 8.192 0.802 1.00 0.00 C ATOM 421 CE1 PHE A 30 -10.767 8.537 3.302 1.00 0.00 C ATOM 422 CE2 PHE A 30 -10.883 8.800 0.928 1.00 0.00 C ATOM 423 CZ PHE A 30 -11.444 8.971 2.179 1.00 0.00 C ATOM 0 H PHE A 30 -6.780 8.403 -0.132 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.687 8.825 2.651 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.563 6.596 0.812 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.522 6.317 2.541 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.007 7.590 4.051 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.216 8.059 -0.179 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.202 8.672 4.281 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.409 9.141 0.049 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.410 9.443 2.279 1.00 0.00 H new ATOM 433 N VAL A 31 -4.218 7.193 1.488 1.00 0.00 N ATOM 434 CA VAL A 31 -2.975 6.501 1.810 1.00 0.00 C ATOM 435 C VAL A 31 -1.863 7.493 2.132 1.00 0.00 C ATOM 436 O VAL A 31 -0.933 7.177 2.876 1.00 0.00 O ATOM 437 CB VAL A 31 -2.521 5.595 0.651 1.00 0.00 C ATOM 438 CG1 VAL A 31 -1.286 4.801 1.046 1.00 0.00 C ATOM 439 CG2 VAL A 31 -3.650 4.666 0.228 1.00 0.00 C ATOM 0 H VAL A 31 -4.261 7.563 0.539 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.173 5.884 2.687 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.261 6.225 -0.200 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.980 4.166 0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.477 5.487 1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.515 4.179 1.912 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.312 4.033 -0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.943 4.041 1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.505 5.258 -0.099 1.00 0.00 H new ATOM 449 N ILE A 32 -1.963 8.691 1.567 1.00 0.00 N ATOM 450 CA ILE A 32 -0.966 9.729 1.795 1.00 0.00 C ATOM 451 C ILE A 32 -1.233 10.471 3.102 1.00 0.00 C ATOM 452 O ILE A 32 -0.308 10.779 3.852 1.00 0.00 O ATOM 453 CB ILE A 32 -0.937 10.745 0.639 1.00 0.00 C ATOM 454 CG1 ILE A 32 -0.600 10.042 -0.678 1.00 0.00 C ATOM 455 CG2 ILE A 32 0.070 11.849 0.929 1.00 0.00 C ATOM 456 CD1 ILE A 32 -0.844 10.899 -1.901 1.00 0.00 C ATOM 0 H ILE A 32 -2.725 8.967 0.948 1.00 0.00 H new ATOM 0 HA ILE A 32 0.001 9.230 1.854 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.925 11.196 0.546 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.447 9.738 -0.661 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.195 9.132 -0.757 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.079 12.560 0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.210 12.364 1.848 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.063 11.415 1.045 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.584 10.336 -2.797 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.896 11.182 -1.943 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.229 11.797 -1.845 1.00 0.00 H new ATOM 468 N GLY A 33 -2.505 10.751 3.367 1.00 0.00 N ATOM 469 CA GLY A 33 -2.871 11.453 4.584 1.00 0.00 C ATOM 470 C GLY A 33 -3.515 12.797 4.306 1.00 0.00 C ATOM 471 O GLY A 33 -3.422 13.321 3.197 1.00 0.00 O ATOM 0 H GLY A 33 -3.288 10.505 2.762 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.559 10.837 5.163 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.982 11.599 5.197 1.00 0.00 H new ATOM 475 N LYS A 34 -4.171 13.356 5.318 1.00 0.00 N ATOM 476 CA LYS A 34 -4.834 14.647 5.180 1.00 0.00 C ATOM 477 C LYS A 34 -3.881 15.689 4.603 1.00 0.00 C ATOM 478 O LYS A 34 -4.198 16.356 3.619 1.00 0.00 O ATOM 479 CB LYS A 34 -5.363 15.119 6.536 1.00 0.00 C ATOM 480 CG LYS A 34 -4.302 15.166 7.621 1.00 0.00 C ATOM 481 CD LYS A 34 -4.910 15.012 9.004 1.00 0.00 C ATOM 482 CE LYS A 34 -5.128 13.548 9.357 1.00 0.00 C ATOM 483 NZ LYS A 34 -6.069 13.388 10.502 1.00 0.00 N ATOM 0 H LYS A 34 -4.257 12.935 6.243 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.671 14.526 4.493 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.797 16.112 6.421 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.166 14.455 6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.573 14.373 7.453 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.763 16.112 7.563 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.255 15.472 9.744 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.861 15.543 9.046 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.520 13.019 8.488 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.172 13.088 9.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.192 12.377 10.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.683 13.871 11.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.990 13.804 10.256 1.00 0.00 H new ATOM 497 N ASN A 35 -2.712 15.822 5.222 1.00 0.00 N ATOM 498 CA ASN A 35 -1.712 16.782 4.768 1.00 0.00 C ATOM 499 C ASN A 35 -0.503 16.069 4.175 1.00 0.00 C ATOM 500 O ASN A 35 0.214 16.626 3.345 1.00 0.00 O ATOM 501 CB ASN A 35 -1.273 17.677 5.928 1.00 0.00 C ATOM 502 CG ASN A 35 -2.434 18.428 6.553 1.00 0.00 C ATOM 503 OD1 ASN A 35 -3.126 19.192 5.880 1.00 0.00 O ATOM 504 ND2 ASN A 35 -2.650 18.213 7.845 1.00 0.00 N ATOM 0 H ASN A 35 -2.434 15.278 6.039 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.163 17.400 3.991 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.787 17.067 6.689 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.532 18.392 5.571 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.416 18.690 8.320 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.050 17.571 8.362 1.00 0.00 H new ATOM 511 N GLY A 36 -0.281 14.831 4.607 1.00 0.00 N ATOM 512 CA GLY A 36 0.843 14.060 4.108 1.00 0.00 C ATOM 513 C GLY A 36 1.615 13.374 5.217 1.00 0.00 C ATOM 514 O GLY A 36 2.842 13.443 5.261 1.00 0.00 O ATOM 0 H GLY A 36 -0.860 14.348 5.294 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.481 13.310 3.404 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.514 14.718 3.556 1.00 0.00 H new ATOM 518 N GLU A 37 0.893 12.713 6.116 1.00 0.00 N ATOM 519 CA GLU A 37 1.518 12.014 7.232 1.00 0.00 C ATOM 520 C GLU A 37 1.309 10.507 7.118 1.00 0.00 C ATOM 521 O GLU A 37 2.193 9.718 7.452 1.00 0.00 O ATOM 522 CB GLU A 37 0.951 12.519 8.562 1.00 0.00 C ATOM 523 CG GLU A 37 0.605 13.997 8.552 1.00 0.00 C ATOM 524 CD GLU A 37 0.728 14.634 9.923 1.00 0.00 C ATOM 525 OE1 GLU A 37 -0.182 14.431 10.755 1.00 0.00 O ATOM 526 OE2 GLU A 37 1.733 15.335 10.165 1.00 0.00 O ATOM 0 H GLU A 37 -0.125 12.647 6.093 1.00 0.00 H new ATOM 0 HA GLU A 37 2.588 12.218 7.200 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.056 11.946 8.807 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.677 12.330 9.353 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.262 14.516 7.854 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.414 14.125 8.186 1.00 0.00 H new ATOM 533 N LYS A 38 0.132 10.114 6.642 1.00 0.00 N ATOM 534 CA LYS A 38 -0.195 8.702 6.482 1.00 0.00 C ATOM 535 C LYS A 38 0.939 7.956 5.785 1.00 0.00 C ATOM 536 O LYS A 38 1.581 7.088 6.378 1.00 0.00 O ATOM 537 CB LYS A 38 -1.490 8.546 5.680 1.00 0.00 C ATOM 538 CG LYS A 38 -2.258 7.277 6.008 1.00 0.00 C ATOM 539 CD LYS A 38 -1.326 6.091 6.188 1.00 0.00 C ATOM 540 CE LYS A 38 -2.073 4.868 6.697 1.00 0.00 C ATOM 541 NZ LYS A 38 -2.146 4.842 8.185 1.00 0.00 N ATOM 0 H LYS A 38 -0.611 10.754 6.360 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.334 8.272 7.474 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.131 9.408 5.868 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.252 8.552 4.616 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.838 7.427 6.919 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.969 7.064 5.209 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.846 5.856 5.238 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.534 6.353 6.889 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.082 4.860 6.284 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.576 3.965 6.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.663 3.993 8.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.184 4.824 8.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.643 5.691 8.523 1.00 0.00 H new ATOM 555 N LEU A 39 1.181 8.300 4.525 1.00 0.00 N ATOM 556 CA LEU A 39 2.239 7.663 3.748 1.00 0.00 C ATOM 557 C LEU A 39 3.528 7.570 4.559 1.00 0.00 C ATOM 558 O LEU A 39 4.181 6.527 4.583 1.00 0.00 O ATOM 559 CB LEU A 39 2.490 8.444 2.457 1.00 0.00 C ATOM 560 CG LEU A 39 3.907 8.363 1.888 1.00 0.00 C ATOM 561 CD1 LEU A 39 4.184 6.971 1.339 1.00 0.00 C ATOM 562 CD2 LEU A 39 4.111 9.414 0.807 1.00 0.00 C ATOM 0 H LEU A 39 0.659 9.016 4.020 1.00 0.00 H new ATOM 0 HA LEU A 39 1.915 6.653 3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.794 8.086 1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.252 9.492 2.638 1.00 0.00 H new ATOM 0 HG LEU A 39 4.612 8.560 2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.197 6.933 0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.082 6.238 2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.471 6.744 0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.125 9.340 0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.397 9.249 0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.957 10.406 1.231 1.00 0.00 H new ATOM 574 N GLN A 40 3.887 8.665 5.220 1.00 0.00 N ATOM 575 CA GLN A 40 5.096 8.705 6.033 1.00 0.00 C ATOM 576 C GLN A 40 5.112 7.560 7.041 1.00 0.00 C ATOM 577 O GLN A 40 6.031 6.740 7.049 1.00 0.00 O ATOM 578 CB GLN A 40 5.202 10.045 6.764 1.00 0.00 C ATOM 579 CG GLN A 40 4.990 11.249 5.860 1.00 0.00 C ATOM 580 CD GLN A 40 5.928 11.257 4.670 1.00 0.00 C ATOM 581 OE1 GLN A 40 5.508 11.476 3.533 1.00 0.00 O ATOM 582 NE2 GLN A 40 7.210 11.020 4.925 1.00 0.00 N ATOM 0 H GLN A 40 3.358 9.537 5.208 1.00 0.00 H new ATOM 0 HA GLN A 40 5.953 8.593 5.369 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.466 10.070 7.568 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.185 10.119 7.229 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.959 11.255 5.505 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.134 12.162 6.438 1.00 0.00 H new ATOM 0 HE21 GLN A 40 7.515 10.843 5.882 1.00 0.00 H new ATOM 0 HE22 GLN A 40 7.889 11.015 4.164 1.00 0.00 H new ATOM 591 N ASP A 41 4.091 7.510 7.888 1.00 0.00 N ATOM 592 CA ASP A 41 3.988 6.465 8.901 1.00 0.00 C ATOM 593 C ASP A 41 4.117 5.083 8.270 1.00 0.00 C ATOM 594 O ASP A 41 4.804 4.209 8.799 1.00 0.00 O ATOM 595 CB ASP A 41 2.657 6.578 9.646 1.00 0.00 C ATOM 596 CG ASP A 41 2.674 5.848 10.975 1.00 0.00 C ATOM 597 OD1 ASP A 41 2.918 4.623 10.976 1.00 0.00 O ATOM 598 OD2 ASP A 41 2.444 6.501 12.014 1.00 0.00 O ATOM 0 H ASP A 41 3.322 8.180 7.894 1.00 0.00 H new ATOM 0 HA ASP A 41 4.805 6.598 9.610 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.427 7.630 9.815 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.859 6.174 9.023 1.00 0.00 H new ATOM 603 N LEU A 42 3.452 4.892 7.135 1.00 0.00 N ATOM 604 CA LEU A 42 3.491 3.614 6.432 1.00 0.00 C ATOM 605 C LEU A 42 4.913 3.276 5.996 1.00 0.00 C ATOM 606 O LEU A 42 5.439 2.215 6.331 1.00 0.00 O ATOM 607 CB LEU A 42 2.567 3.653 5.213 1.00 0.00 C ATOM 608 CG LEU A 42 1.122 3.211 5.451 1.00 0.00 C ATOM 609 CD1 LEU A 42 0.282 3.441 4.205 1.00 0.00 C ATOM 610 CD2 LEU A 42 1.073 1.749 5.868 1.00 0.00 C ATOM 0 H LEU A 42 2.880 5.605 6.683 1.00 0.00 H new ATOM 0 HA LEU A 42 3.147 2.839 7.117 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.555 4.671 4.824 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.996 3.020 4.436 1.00 0.00 H new ATOM 0 HG LEU A 42 0.707 3.812 6.260 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.743 3.121 4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.290 4.501 3.951 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.696 2.866 3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.037 1.452 6.033 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.507 1.132 5.081 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.640 1.614 6.789 1.00 0.00 H new ATOM 622 N GLU A 43 5.530 4.186 5.248 1.00 0.00 N ATOM 623 CA GLU A 43 6.891 3.983 4.768 1.00 0.00 C ATOM 624 C GLU A 43 7.809 3.541 5.905 1.00 0.00 C ATOM 625 O GLU A 43 8.695 2.708 5.714 1.00 0.00 O ATOM 626 CB GLU A 43 7.429 5.269 4.135 1.00 0.00 C ATOM 627 CG GLU A 43 7.084 5.412 2.663 1.00 0.00 C ATOM 628 CD GLU A 43 7.570 6.722 2.074 1.00 0.00 C ATOM 629 OE1 GLU A 43 7.124 7.788 2.548 1.00 0.00 O ATOM 630 OE2 GLU A 43 8.398 6.681 1.140 1.00 0.00 O ATOM 0 H GLU A 43 5.109 5.070 4.962 1.00 0.00 H new ATOM 0 HA GLU A 43 6.870 3.196 4.014 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.030 6.126 4.678 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.513 5.295 4.250 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.524 4.583 2.108 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.003 5.341 2.538 1.00 0.00 H new ATOM 637 N LEU A 44 7.590 4.106 7.088 1.00 0.00 N ATOM 638 CA LEU A 44 8.396 3.771 8.256 1.00 0.00 C ATOM 639 C LEU A 44 7.954 2.442 8.861 1.00 0.00 C ATOM 640 O LEU A 44 8.694 1.459 8.836 1.00 0.00 O ATOM 641 CB LEU A 44 8.296 4.880 9.305 1.00 0.00 C ATOM 642 CG LEU A 44 9.174 6.109 9.068 1.00 0.00 C ATOM 643 CD1 LEU A 44 8.773 7.240 10.003 1.00 0.00 C ATOM 644 CD2 LEU A 44 10.643 5.759 9.252 1.00 0.00 C ATOM 0 H LEU A 44 6.861 4.798 7.263 1.00 0.00 H new ATOM 0 HA LEU A 44 9.433 3.676 7.935 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.257 5.206 9.362 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.552 4.458 10.277 1.00 0.00 H new ATOM 0 HG LEU A 44 9.027 6.444 8.041 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.409 8.106 9.820 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.732 7.509 9.823 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.890 6.916 11.037 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.253 6.646 9.079 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.807 5.398 10.267 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.924 4.982 8.541 1.00 0.00 H new ATOM 656 N LYS A 45 6.741 2.419 9.401 1.00 0.00 N ATOM 657 CA LYS A 45 6.196 1.211 10.010 1.00 0.00 C ATOM 658 C LYS A 45 6.515 -0.016 9.162 1.00 0.00 C ATOM 659 O LYS A 45 6.849 -1.078 9.688 1.00 0.00 O ATOM 660 CB LYS A 45 4.682 1.342 10.188 1.00 0.00 C ATOM 661 CG LYS A 45 4.101 0.368 11.198 1.00 0.00 C ATOM 662 CD LYS A 45 2.679 0.743 11.580 1.00 0.00 C ATOM 663 CE LYS A 45 1.692 0.374 10.484 1.00 0.00 C ATOM 664 NZ LYS A 45 0.322 0.149 11.025 1.00 0.00 N ATOM 0 H LYS A 45 6.115 3.224 9.430 1.00 0.00 H new ATOM 0 HA LYS A 45 6.660 1.086 10.988 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.448 2.360 10.501 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.197 1.186 9.225 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.113 -0.639 10.782 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.726 0.352 12.091 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.404 0.236 12.505 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.624 1.814 11.775 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.662 1.169 9.739 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.034 -0.527 9.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.322 -0.100 10.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.345 -0.627 11.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.015 1.017 11.489 1.00 0.00 H new ATOM 678 N THR A 46 6.411 0.138 7.846 1.00 0.00 N ATOM 679 CA THR A 46 6.689 -0.958 6.925 1.00 0.00 C ATOM 680 C THR A 46 8.130 -0.911 6.432 1.00 0.00 C ATOM 681 O THR A 46 8.655 -1.901 5.923 1.00 0.00 O ATOM 682 CB THR A 46 5.742 -0.923 5.710 1.00 0.00 C ATOM 683 OG1 THR A 46 6.079 0.176 4.856 1.00 0.00 O ATOM 684 CG2 THR A 46 4.293 -0.800 6.156 1.00 0.00 C ATOM 0 H THR A 46 6.137 1.010 7.394 1.00 0.00 H new ATOM 0 HA THR A 46 6.527 -1.884 7.477 1.00 0.00 H new ATOM 0 HB THR A 46 5.858 -1.857 5.161 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.665 0.996 5.199 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.644 -0.777 5.281 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.031 -1.654 6.780 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.165 0.120 6.727 1.00 0.00 H new ATOM 692 N ALA A 47 8.766 0.246 6.587 1.00 0.00 N ATOM 693 CA ALA A 47 10.149 0.422 6.160 1.00 0.00 C ATOM 694 C ALA A 47 10.308 0.114 4.674 1.00 0.00 C ATOM 695 O ALA A 47 11.347 -0.385 4.241 1.00 0.00 O ATOM 696 CB ALA A 47 11.071 -0.463 6.985 1.00 0.00 C ATOM 0 H ALA A 47 8.345 1.076 7.005 1.00 0.00 H new ATOM 0 HA ALA A 47 10.424 1.465 6.320 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.101 -0.322 6.656 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.986 -0.195 8.038 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.787 -1.507 6.853 1.00 0.00 H new ATOM 702 N THR A 48 9.272 0.416 3.898 1.00 0.00 N ATOM 703 CA THR A 48 9.296 0.171 2.462 1.00 0.00 C ATOM 704 C THR A 48 9.404 1.477 1.683 1.00 0.00 C ATOM 705 O THR A 48 9.363 2.563 2.262 1.00 0.00 O ATOM 706 CB THR A 48 8.037 -0.586 2.000 1.00 0.00 C ATOM 707 OG1 THR A 48 6.862 0.151 2.361 1.00 0.00 O ATOM 708 CG2 THR A 48 7.981 -1.974 2.621 1.00 0.00 C ATOM 0 H THR A 48 8.405 0.831 4.241 1.00 0.00 H new ATOM 0 HA THR A 48 10.174 -0.443 2.261 1.00 0.00 H new ATOM 0 HB THR A 48 8.081 -0.692 0.916 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.620 -0.053 3.288 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.083 -2.489 2.280 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.861 -2.542 2.321 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.958 -1.886 3.707 1.00 0.00 H new ATOM 716 N LYS A 49 9.542 1.365 0.366 1.00 0.00 N ATOM 717 CA LYS A 49 9.656 2.537 -0.494 1.00 0.00 C ATOM 718 C LYS A 49 8.390 2.725 -1.326 1.00 0.00 C ATOM 719 O LYS A 49 8.338 2.325 -2.490 1.00 0.00 O ATOM 720 CB LYS A 49 10.869 2.404 -1.416 1.00 0.00 C ATOM 721 CG LYS A 49 12.147 2.975 -0.824 1.00 0.00 C ATOM 722 CD LYS A 49 12.584 2.203 0.410 1.00 0.00 C ATOM 723 CE LYS A 49 13.347 0.941 0.037 1.00 0.00 C ATOM 724 NZ LYS A 49 14.343 0.567 1.078 1.00 0.00 N ATOM 0 H LYS A 49 9.578 0.474 -0.129 1.00 0.00 H new ATOM 0 HA LYS A 49 9.786 3.412 0.142 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.025 1.351 -1.648 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.657 2.910 -2.358 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.940 2.947 -1.572 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.992 4.022 -0.563 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.212 2.838 1.034 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.709 1.938 1.004 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.644 0.120 -0.104 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.856 1.092 -0.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.842 -0.298 0.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 15.029 1.340 1.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.855 0.397 1.981 1.00 0.00 H new ATOM 738 N ILE A 50 7.376 3.334 -0.724 1.00 0.00 N ATOM 739 CA ILE A 50 6.114 3.577 -1.411 1.00 0.00 C ATOM 740 C ILE A 50 6.266 4.660 -2.474 1.00 0.00 C ATOM 741 O ILE A 50 6.918 5.678 -2.247 1.00 0.00 O ATOM 742 CB ILE A 50 5.006 3.994 -0.424 1.00 0.00 C ATOM 743 CG1 ILE A 50 4.764 2.885 0.603 1.00 0.00 C ATOM 744 CG2 ILE A 50 3.723 4.318 -1.175 1.00 0.00 C ATOM 745 CD1 ILE A 50 3.857 3.303 1.739 1.00 0.00 C ATOM 0 H ILE A 50 7.403 3.669 0.239 1.00 0.00 H new ATOM 0 HA ILE A 50 5.830 2.639 -1.889 1.00 0.00 H new ATOM 0 HB ILE A 50 5.329 4.890 0.106 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.328 2.023 0.099 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.722 2.564 1.012 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.950 4.611 -0.465 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.906 5.137 -1.871 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.393 3.439 -1.728 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.729 2.469 2.429 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.301 4.146 2.268 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.886 3.596 1.340 1.00 0.00 H new ATOM 757 N GLN A 51 5.656 4.432 -3.633 1.00 0.00 N ATOM 758 CA GLN A 51 5.724 5.389 -4.732 1.00 0.00 C ATOM 759 C GLN A 51 4.352 5.580 -5.371 1.00 0.00 C ATOM 760 O GLN A 51 3.806 4.659 -5.978 1.00 0.00 O ATOM 761 CB GLN A 51 6.729 4.919 -5.784 1.00 0.00 C ATOM 762 CG GLN A 51 7.400 6.059 -6.535 1.00 0.00 C ATOM 763 CD GLN A 51 8.207 5.579 -7.725 1.00 0.00 C ATOM 764 OE1 GLN A 51 8.427 4.379 -7.897 1.00 0.00 O ATOM 765 NE2 GLN A 51 8.653 6.514 -8.554 1.00 0.00 N ATOM 0 H GLN A 51 5.110 3.595 -3.835 1.00 0.00 H new ATOM 0 HA GLN A 51 6.054 6.346 -4.328 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.495 4.314 -5.299 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.219 4.274 -6.499 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.640 6.761 -6.876 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.054 6.603 -5.853 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.447 7.496 -8.373 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.202 6.250 -9.372 1.00 0.00 H new ATOM 774 N ILE A 52 3.802 6.782 -5.230 1.00 0.00 N ATOM 775 CA ILE A 52 2.494 7.093 -5.794 1.00 0.00 C ATOM 776 C ILE A 52 2.629 7.935 -7.059 1.00 0.00 C ATOM 777 O ILE A 52 3.396 8.895 -7.117 1.00 0.00 O ATOM 778 CB ILE A 52 1.609 7.844 -4.783 1.00 0.00 C ATOM 779 CG1 ILE A 52 1.468 7.031 -3.495 1.00 0.00 C ATOM 780 CG2 ILE A 52 0.242 8.132 -5.387 1.00 0.00 C ATOM 781 CD1 ILE A 52 0.963 7.842 -2.321 1.00 0.00 C ATOM 0 H ILE A 52 4.241 7.555 -4.731 1.00 0.00 H new ATOM 0 HA ILE A 52 2.022 6.142 -6.041 1.00 0.00 H new ATOM 0 HB ILE A 52 2.085 8.794 -4.541 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.786 6.200 -3.672 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.436 6.600 -3.239 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.372 8.663 -4.660 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.361 8.746 -6.280 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.243 7.193 -5.654 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.887 7.202 -1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.657 8.658 -2.117 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.019 8.251 -2.557 1.00 0.00 H new ATOM 793 N PRO A 53 1.862 7.569 -8.098 1.00 0.00 N ATOM 794 CA PRO A 53 1.876 8.280 -9.380 1.00 0.00 C ATOM 795 C PRO A 53 1.250 9.666 -9.281 1.00 0.00 C ATOM 796 O PRO A 53 0.435 9.929 -8.396 1.00 0.00 O ATOM 797 CB PRO A 53 1.038 7.380 -10.292 1.00 0.00 C ATOM 798 CG PRO A 53 0.140 6.633 -9.368 1.00 0.00 C ATOM 799 CD PRO A 53 0.924 6.434 -8.100 1.00 0.00 C ATOM 0 HA PRO A 53 2.890 8.451 -9.740 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.466 7.967 -11.010 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.669 6.701 -10.866 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.776 7.192 -9.177 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.155 5.676 -9.799 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.278 6.445 -7.222 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.449 5.479 -8.098 1.00 0.00 H new ATOM 807 N ARG A 54 1.636 10.551 -10.195 1.00 0.00 N ATOM 808 CA ARG A 54 1.112 11.912 -10.210 1.00 0.00 C ATOM 809 C ARG A 54 -0.401 11.911 -10.404 1.00 0.00 C ATOM 810 O ARG A 54 -0.981 10.967 -10.942 1.00 0.00 O ATOM 811 CB ARG A 54 1.780 12.725 -11.320 1.00 0.00 C ATOM 812 CG ARG A 54 3.214 13.118 -11.009 1.00 0.00 C ATOM 813 CD ARG A 54 4.191 12.027 -11.414 1.00 0.00 C ATOM 814 NE ARG A 54 5.581 12.439 -11.230 1.00 0.00 N ATOM 815 CZ ARG A 54 6.619 11.644 -11.461 1.00 0.00 C ATOM 816 NH1 ARG A 54 6.428 10.402 -11.883 1.00 0.00 N ATOM 817 NH2 ARG A 54 7.854 12.092 -11.270 1.00 0.00 N ATOM 0 H ARG A 54 2.309 10.350 -10.934 1.00 0.00 H new ATOM 0 HA ARG A 54 1.336 12.372 -9.247 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.763 12.146 -12.243 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.196 13.628 -11.499 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.461 14.042 -11.533 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.314 13.320 -9.942 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.998 11.131 -10.825 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.027 11.763 -12.459 1.00 0.00 H new ATOM 0 HE ARG A 54 5.764 13.389 -10.907 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.481 10.054 -12.031 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.228 9.795 -12.059 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.006 13.047 -10.946 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.651 11.481 -11.448 1.00 0.00 H new ATOM 831 N PRO A 55 -1.057 12.992 -9.956 1.00 0.00 N ATOM 832 CA PRO A 55 -2.511 13.140 -10.069 1.00 0.00 C ATOM 833 C PRO A 55 -2.961 13.342 -11.512 1.00 0.00 C ATOM 834 O PRO A 55 -4.157 13.439 -11.791 1.00 0.00 O ATOM 835 CB PRO A 55 -2.806 14.388 -9.235 1.00 0.00 C ATOM 836 CG PRO A 55 -1.537 15.168 -9.257 1.00 0.00 C ATOM 837 CD PRO A 55 -0.429 14.154 -9.304 1.00 0.00 C ATOM 0 HA PRO A 55 -3.040 12.250 -9.729 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.630 14.961 -9.659 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.091 14.125 -8.216 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.499 15.828 -10.124 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.451 15.799 -8.372 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.426 14.520 -9.872 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.067 13.908 -8.306 1.00 0.00 H new ATOM 845 N ASP A 56 -1.999 13.406 -12.425 1.00 0.00 N ATOM 846 CA ASP A 56 -2.297 13.596 -13.839 1.00 0.00 C ATOM 847 C ASP A 56 -1.856 12.385 -14.655 1.00 0.00 C ATOM 848 O ASP A 56 -2.157 12.283 -15.844 1.00 0.00 O ATOM 849 CB ASP A 56 -1.608 14.858 -14.362 1.00 0.00 C ATOM 850 CG ASP A 56 -2.252 16.128 -13.841 1.00 0.00 C ATOM 851 OD1 ASP A 56 -3.334 16.496 -14.346 1.00 0.00 O ATOM 852 OD2 ASP A 56 -1.675 16.753 -12.927 1.00 0.00 O ATOM 0 H ASP A 56 -1.005 13.329 -12.211 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.376 13.710 -13.946 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.557 14.842 -14.072 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.638 14.860 -15.452 1.00 0.00 H new ATOM 857 N ASP A 57 -1.141 11.471 -14.009 1.00 0.00 N ATOM 858 CA ASP A 57 -0.659 10.267 -14.675 1.00 0.00 C ATOM 859 C ASP A 57 -1.748 9.201 -14.727 1.00 0.00 C ATOM 860 O ASP A 57 -2.518 9.020 -13.784 1.00 0.00 O ATOM 861 CB ASP A 57 0.574 9.719 -13.953 1.00 0.00 C ATOM 862 CG ASP A 57 1.524 9.004 -14.893 1.00 0.00 C ATOM 863 OD1 ASP A 57 2.134 9.679 -15.748 1.00 0.00 O ATOM 864 OD2 ASP A 57 1.659 7.768 -14.774 1.00 0.00 O ATOM 0 H ASP A 57 -0.882 11.541 -13.025 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.386 10.531 -15.697 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.100 10.539 -13.464 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.257 9.031 -13.169 1.00 0.00 H new ATOM 869 N PRO A 58 -1.817 8.479 -15.856 1.00 0.00 N ATOM 870 CA PRO A 58 -2.809 7.420 -16.058 1.00 0.00 C ATOM 871 C PRO A 58 -2.545 6.203 -15.179 1.00 0.00 C ATOM 872 O PRO A 58 -3.248 5.195 -15.270 1.00 0.00 O ATOM 873 CB PRO A 58 -2.645 7.058 -17.537 1.00 0.00 C ATOM 874 CG PRO A 58 -1.242 7.439 -17.867 1.00 0.00 C ATOM 875 CD PRO A 58 -0.930 8.642 -17.020 1.00 0.00 C ATOM 0 HA PRO A 58 -3.815 7.748 -15.794 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.817 5.995 -17.706 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.359 7.599 -18.158 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.554 6.621 -17.652 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.140 7.671 -18.927 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.119 8.665 -16.726 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.132 9.572 -17.552 1.00 0.00 H new ATOM 883 N SER A 59 -1.528 6.300 -14.330 1.00 0.00 N ATOM 884 CA SER A 59 -1.168 5.205 -13.437 1.00 0.00 C ATOM 885 C SER A 59 -1.821 5.383 -12.070 1.00 0.00 C ATOM 886 O SER A 59 -1.534 6.340 -11.353 1.00 0.00 O ATOM 887 CB SER A 59 0.352 5.123 -13.282 1.00 0.00 C ATOM 888 OG SER A 59 0.954 4.576 -14.443 1.00 0.00 O ATOM 0 H SER A 59 -0.938 7.127 -14.241 1.00 0.00 H new ATOM 0 HA SER A 59 -1.531 4.276 -13.876 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.756 6.118 -13.093 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.600 4.509 -12.416 1.00 0.00 H new ATOM 0 HG SER A 59 1.925 4.536 -14.320 1.00 0.00 H new ATOM 894 N ASN A 60 -2.703 4.453 -11.717 1.00 0.00 N ATOM 895 CA ASN A 60 -3.398 4.506 -10.436 1.00 0.00 C ATOM 896 C ASN A 60 -2.955 3.363 -9.528 1.00 0.00 C ATOM 897 O ASN A 60 -3.576 3.098 -8.500 1.00 0.00 O ATOM 898 CB ASN A 60 -4.912 4.444 -10.651 1.00 0.00 C ATOM 899 CG ASN A 60 -5.358 3.118 -11.238 1.00 0.00 C ATOM 900 OD1 ASN A 60 -4.865 2.691 -12.281 1.00 0.00 O ATOM 901 ND2 ASN A 60 -6.297 2.461 -10.567 1.00 0.00 N ATOM 0 H ASN A 60 -2.953 3.654 -12.300 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.144 5.449 -9.952 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.418 4.606 -9.699 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.216 5.253 -11.315 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.638 1.564 -10.913 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.677 2.853 -9.706 1.00 0.00 H new ATOM 908 N GLN A 61 -1.876 2.691 -9.917 1.00 0.00 N ATOM 909 CA GLN A 61 -1.349 1.576 -9.138 1.00 0.00 C ATOM 910 C GLN A 61 -0.100 1.993 -8.368 1.00 0.00 C ATOM 911 O GLN A 61 0.878 2.456 -8.957 1.00 0.00 O ATOM 912 CB GLN A 61 -1.028 0.394 -10.053 1.00 0.00 C ATOM 913 CG GLN A 61 -2.130 0.082 -11.052 1.00 0.00 C ATOM 914 CD GLN A 61 -1.958 -1.276 -11.706 1.00 0.00 C ATOM 915 OE1 GLN A 61 -2.910 -2.049 -11.815 1.00 0.00 O ATOM 916 NE2 GLN A 61 -0.740 -1.572 -12.144 1.00 0.00 N ATOM 0 H GLN A 61 -1.350 2.899 -10.766 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.112 1.274 -8.421 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.106 0.605 -10.595 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.843 -0.489 -9.441 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -3.095 0.118 -10.546 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.146 0.853 -11.823 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.019 -0.900 -12.032 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.564 -2.471 -12.592 1.00 0.00 H new ATOM 925 N ILE A 62 -0.140 1.825 -7.050 1.00 0.00 N ATOM 926 CA ILE A 62 0.989 2.182 -6.200 1.00 0.00 C ATOM 927 C ILE A 62 2.077 1.115 -6.255 1.00 0.00 C ATOM 928 O ILE A 62 1.805 -0.052 -6.539 1.00 0.00 O ATOM 929 CB ILE A 62 0.552 2.381 -4.737 1.00 0.00 C ATOM 930 CG1 ILE A 62 -0.186 3.711 -4.578 1.00 0.00 C ATOM 931 CG2 ILE A 62 1.758 2.323 -3.812 1.00 0.00 C ATOM 932 CD1 ILE A 62 -0.868 3.867 -3.237 1.00 0.00 C ATOM 0 H ILE A 62 -0.942 1.444 -6.548 1.00 0.00 H new ATOM 0 HA ILE A 62 1.387 3.122 -6.582 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.130 1.575 -4.464 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.522 4.529 -4.714 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.931 3.800 -5.368 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.433 2.465 -2.781 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.244 1.352 -3.908 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.462 3.110 -4.082 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.371 4.833 -3.195 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.601 3.070 -3.106 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.125 3.810 -2.442 1.00 0.00 H new ATOM 944 N LYS A 63 3.312 1.522 -5.979 1.00 0.00 N ATOM 945 CA LYS A 63 4.443 0.602 -5.992 1.00 0.00 C ATOM 946 C LYS A 63 5.051 0.467 -4.600 1.00 0.00 C ATOM 947 O LYS A 63 5.317 1.465 -3.930 1.00 0.00 O ATOM 948 CB LYS A 63 5.507 1.084 -6.981 1.00 0.00 C ATOM 949 CG LYS A 63 6.644 0.096 -7.180 1.00 0.00 C ATOM 950 CD LYS A 63 7.732 0.671 -8.070 1.00 0.00 C ATOM 951 CE LYS A 63 7.420 0.457 -9.542 1.00 0.00 C ATOM 952 NZ LYS A 63 8.420 1.119 -10.425 1.00 0.00 N ATOM 0 H LYS A 63 3.555 2.484 -5.743 1.00 0.00 H new ATOM 0 HA LYS A 63 4.080 -0.376 -6.306 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.034 1.280 -7.943 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.917 2.031 -6.628 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.068 -0.172 -6.212 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.257 -0.821 -7.623 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.840 1.737 -7.871 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.686 0.203 -7.828 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.398 -0.611 -9.756 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.426 0.847 -9.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.171 0.949 -11.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.424 2.142 -10.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.365 0.729 -10.233 1.00 0.00 H new ATOM 966 N ILE A 64 5.269 -0.772 -4.172 1.00 0.00 N ATOM 967 CA ILE A 64 5.848 -1.036 -2.861 1.00 0.00 C ATOM 968 C ILE A 64 7.057 -1.958 -2.970 1.00 0.00 C ATOM 969 O ILE A 64 6.951 -3.088 -3.449 1.00 0.00 O ATOM 970 CB ILE A 64 4.817 -1.670 -1.908 1.00 0.00 C ATOM 971 CG1 ILE A 64 3.769 -2.452 -2.702 1.00 0.00 C ATOM 972 CG2 ILE A 64 4.154 -0.599 -1.056 1.00 0.00 C ATOM 973 CD1 ILE A 64 2.768 -3.178 -1.831 1.00 0.00 C ATOM 0 H ILE A 64 5.053 -1.609 -4.714 1.00 0.00 H new ATOM 0 HA ILE A 64 6.163 -0.075 -2.455 1.00 0.00 H new ATOM 0 HB ILE A 64 5.335 -2.364 -1.246 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.236 -1.765 -3.359 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.275 -3.176 -3.341 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.428 -1.063 -0.388 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.911 -0.083 -0.466 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.646 0.117 -1.702 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.056 -3.711 -2.461 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.290 -3.890 -1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.235 -2.457 -1.211 1.00 0.00 H new ATOM 985 N THR A 65 8.210 -1.469 -2.521 1.00 0.00 N ATOM 986 CA THR A 65 9.441 -2.248 -2.567 1.00 0.00 C ATOM 987 C THR A 65 10.053 -2.390 -1.179 1.00 0.00 C ATOM 988 O THR A 65 9.963 -1.483 -0.353 1.00 0.00 O ATOM 989 CB THR A 65 10.476 -1.607 -3.510 1.00 0.00 C ATOM 990 OG1 THR A 65 9.907 -1.424 -4.812 1.00 0.00 O ATOM 991 CG2 THR A 65 11.723 -2.473 -3.613 1.00 0.00 C ATOM 0 H THR A 65 8.316 -0.537 -2.121 1.00 0.00 H new ATOM 0 HA THR A 65 9.177 -3.235 -2.947 1.00 0.00 H new ATOM 0 HB THR A 65 10.758 -0.638 -3.099 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.571 -1.015 -5.405 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.440 -2.000 -4.284 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.170 -2.586 -2.625 1.00 0.00 H new ATOM 0 HG23 THR A 65 11.453 -3.454 -4.003 1.00 0.00 H new ATOM 999 N GLY A 66 10.679 -3.537 -0.927 1.00 0.00 N ATOM 1000 CA GLY A 66 11.299 -3.776 0.362 1.00 0.00 C ATOM 1001 C GLY A 66 11.348 -5.249 0.718 1.00 0.00 C ATOM 1002 O GLY A 66 11.426 -6.106 -0.164 1.00 0.00 O ATOM 0 H GLY A 66 10.767 -4.304 -1.594 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.312 -3.373 0.355 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.747 -3.237 1.132 1.00 0.00 H new ATOM 1006 N THR A 67 11.304 -5.546 2.012 1.00 0.00 N ATOM 1007 CA THR A 67 11.347 -6.924 2.482 1.00 0.00 C ATOM 1008 C THR A 67 9.985 -7.596 2.346 1.00 0.00 C ATOM 1009 O THR A 67 8.947 -6.961 2.534 1.00 0.00 O ATOM 1010 CB THR A 67 11.799 -7.003 3.953 1.00 0.00 C ATOM 1011 OG1 THR A 67 10.868 -6.307 4.790 1.00 0.00 O ATOM 1012 CG2 THR A 67 13.188 -6.407 4.125 1.00 0.00 C ATOM 0 H THR A 67 11.239 -4.849 2.754 1.00 0.00 H new ATOM 0 HA THR A 67 12.071 -7.447 1.857 1.00 0.00 H new ATOM 0 HB THR A 67 11.833 -8.053 4.244 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.162 -6.363 5.723 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.486 -6.474 5.171 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.899 -6.958 3.509 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.176 -5.361 3.817 1.00 0.00 H new ATOM 1020 N LYS A 68 9.995 -8.882 2.016 1.00 0.00 N ATOM 1021 CA LYS A 68 8.761 -9.641 1.855 1.00 0.00 C ATOM 1022 C LYS A 68 7.752 -9.276 2.940 1.00 0.00 C ATOM 1023 O LYS A 68 6.555 -9.175 2.677 1.00 0.00 O ATOM 1024 CB LYS A 68 9.051 -11.143 1.898 1.00 0.00 C ATOM 1025 CG LYS A 68 8.057 -11.978 1.110 1.00 0.00 C ATOM 1026 CD LYS A 68 6.688 -11.985 1.771 1.00 0.00 C ATOM 1027 CE LYS A 68 5.888 -13.220 1.382 1.00 0.00 C ATOM 1028 NZ LYS A 68 5.357 -13.123 -0.005 1.00 0.00 N ATOM 0 H LYS A 68 10.845 -9.422 1.854 1.00 0.00 H new ATOM 0 HA LYS A 68 8.333 -9.388 0.885 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.053 -11.322 1.508 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.049 -11.475 2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.971 -11.584 0.097 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.426 -13.000 1.024 1.00 0.00 H new ATOM 0 HD2 LYS A 68 6.805 -11.952 2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.139 -11.089 1.483 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.520 -14.104 1.468 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.060 -13.351 2.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.818 -13.983 -0.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.733 -12.294 -0.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.148 -13.024 -0.673 1.00 0.00 H new ATOM 1042 N GLU A 69 8.247 -9.081 4.159 1.00 0.00 N ATOM 1043 CA GLU A 69 7.387 -8.727 5.283 1.00 0.00 C ATOM 1044 C GLU A 69 6.971 -7.260 5.209 1.00 0.00 C ATOM 1045 O GLU A 69 5.817 -6.918 5.459 1.00 0.00 O ATOM 1046 CB GLU A 69 8.104 -8.999 6.607 1.00 0.00 C ATOM 1047 CG GLU A 69 8.295 -10.478 6.902 1.00 0.00 C ATOM 1048 CD GLU A 69 8.980 -11.215 5.767 1.00 0.00 C ATOM 1049 OE1 GLU A 69 10.080 -10.787 5.360 1.00 0.00 O ATOM 1050 OE2 GLU A 69 8.416 -12.221 5.289 1.00 0.00 O ATOM 0 H GLU A 69 9.237 -9.162 4.393 1.00 0.00 H new ATOM 0 HA GLU A 69 6.490 -9.344 5.230 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.079 -8.512 6.590 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.535 -8.545 7.419 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.885 -10.590 7.812 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.324 -10.935 7.093 1.00 0.00 H new ATOM 1057 N GLY A 70 7.924 -6.398 4.866 1.00 0.00 N ATOM 1058 CA GLY A 70 7.638 -4.978 4.766 1.00 0.00 C ATOM 1059 C GLY A 70 6.559 -4.674 3.747 1.00 0.00 C ATOM 1060 O GLY A 70 5.511 -4.122 4.087 1.00 0.00 O ATOM 0 H GLY A 70 8.888 -6.657 4.656 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.328 -4.604 5.742 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.550 -4.445 4.495 1.00 0.00 H new ATOM 1064 N ILE A 71 6.813 -5.034 2.492 1.00 0.00 N ATOM 1065 CA ILE A 71 5.854 -4.794 1.421 1.00 0.00 C ATOM 1066 C ILE A 71 4.476 -5.333 1.787 1.00 0.00 C ATOM 1067 O ILE A 71 3.457 -4.709 1.490 1.00 0.00 O ATOM 1068 CB ILE A 71 6.312 -5.443 0.101 1.00 0.00 C ATOM 1069 CG1 ILE A 71 7.692 -4.916 -0.299 1.00 0.00 C ATOM 1070 CG2 ILE A 71 5.298 -5.176 -1.000 1.00 0.00 C ATOM 1071 CD1 ILE A 71 8.322 -5.681 -1.443 1.00 0.00 C ATOM 0 H ILE A 71 7.674 -5.492 2.193 1.00 0.00 H new ATOM 0 HA ILE A 71 5.795 -3.714 1.285 1.00 0.00 H new ATOM 0 HB ILE A 71 6.384 -6.521 0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.604 -3.866 -0.579 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.354 -4.961 0.566 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.636 -5.641 -1.926 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.333 -5.594 -0.715 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.198 -4.101 -1.149 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.298 -5.253 -1.673 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.442 -6.727 -1.159 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.681 -5.615 -2.322 1.00 0.00 H new ATOM 1083 N GLU A 72 4.452 -6.493 2.436 1.00 0.00 N ATOM 1084 CA GLU A 72 3.197 -7.115 2.842 1.00 0.00 C ATOM 1085 C GLU A 72 2.420 -6.203 3.788 1.00 0.00 C ATOM 1086 O GLU A 72 1.228 -5.961 3.598 1.00 0.00 O ATOM 1087 CB GLU A 72 3.464 -8.461 3.520 1.00 0.00 C ATOM 1088 CG GLU A 72 3.576 -9.620 2.545 1.00 0.00 C ATOM 1089 CD GLU A 72 3.871 -10.938 3.237 1.00 0.00 C ATOM 1090 OE1 GLU A 72 4.873 -11.006 3.979 1.00 0.00 O ATOM 1091 OE2 GLU A 72 3.101 -11.899 3.034 1.00 0.00 O ATOM 0 H GLU A 72 5.287 -7.021 2.692 1.00 0.00 H new ATOM 0 HA GLU A 72 2.597 -7.280 1.947 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.386 -8.391 4.097 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.661 -8.668 4.227 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.646 -9.709 1.984 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.365 -9.408 1.823 1.00 0.00 H new ATOM 1098 N LYS A 73 3.105 -5.699 4.810 1.00 0.00 N ATOM 1099 CA LYS A 73 2.482 -4.814 5.786 1.00 0.00 C ATOM 1100 C LYS A 73 1.851 -3.605 5.101 1.00 0.00 C ATOM 1101 O LYS A 73 0.731 -3.211 5.423 1.00 0.00 O ATOM 1102 CB LYS A 73 3.514 -4.348 6.815 1.00 0.00 C ATOM 1103 CG LYS A 73 3.777 -5.361 7.916 1.00 0.00 C ATOM 1104 CD LYS A 73 5.108 -5.107 8.602 1.00 0.00 C ATOM 1105 CE LYS A 73 5.370 -6.122 9.705 1.00 0.00 C ATOM 1106 NZ LYS A 73 6.733 -5.973 10.283 1.00 0.00 N ATOM 0 H LYS A 73 4.092 -5.889 4.983 1.00 0.00 H new ATOM 0 HA LYS A 73 1.696 -5.373 6.295 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.451 -4.129 6.303 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.171 -3.416 7.265 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.974 -5.317 8.651 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.770 -6.367 7.496 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.912 -5.151 7.867 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.116 -4.101 9.022 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.626 -6.002 10.493 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.253 -7.130 9.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.872 -6.682 11.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.444 -6.112 9.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.837 -5.020 10.686 1.00 0.00 H new ATOM 1120 N ALA A 74 2.578 -3.022 4.153 1.00 0.00 N ATOM 1121 CA ALA A 74 2.088 -1.862 3.420 1.00 0.00 C ATOM 1122 C ALA A 74 0.966 -2.250 2.464 1.00 0.00 C ATOM 1123 O ALA A 74 -0.001 -1.508 2.292 1.00 0.00 O ATOM 1124 CB ALA A 74 3.227 -1.199 2.659 1.00 0.00 C ATOM 0 H ALA A 74 3.508 -3.335 3.875 1.00 0.00 H new ATOM 0 HA ALA A 74 1.685 -1.151 4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.847 -0.334 2.116 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.995 -0.877 3.362 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.656 -1.911 1.953 1.00 0.00 H new ATOM 1130 N ARG A 75 1.101 -3.417 1.842 1.00 0.00 N ATOM 1131 CA ARG A 75 0.099 -3.903 0.902 1.00 0.00 C ATOM 1132 C ARG A 75 -1.194 -4.269 1.625 1.00 0.00 C ATOM 1133 O ARG A 75 -2.288 -4.111 1.082 1.00 0.00 O ATOM 1134 CB ARG A 75 0.631 -5.118 0.140 1.00 0.00 C ATOM 1135 CG ARG A 75 0.060 -5.254 -1.263 1.00 0.00 C ATOM 1136 CD ARG A 75 0.939 -6.136 -2.138 1.00 0.00 C ATOM 1137 NE ARG A 75 0.552 -7.542 -2.060 1.00 0.00 N ATOM 1138 CZ ARG A 75 0.948 -8.360 -1.090 1.00 0.00 C ATOM 1139 NH1 ARG A 75 1.736 -7.914 -0.122 1.00 0.00 N ATOM 1140 NH2 ARG A 75 0.554 -9.627 -1.088 1.00 0.00 N ATOM 0 H ARG A 75 1.895 -4.043 1.973 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.116 -3.103 0.193 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.717 -5.050 0.076 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.401 -6.021 0.706 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.943 -5.677 -1.210 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.034 -4.267 -1.716 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.875 -5.799 -3.173 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.980 -6.029 -1.832 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.055 -7.917 -2.789 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.040 -6.940 -0.120 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.038 -8.544 0.621 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.053 -9.974 -1.831 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.858 -10.254 -0.344 1.00 0.00 H new ATOM 1154 N HIS A 76 -1.060 -4.759 2.854 1.00 0.00 N ATOM 1155 CA HIS A 76 -2.217 -5.147 3.652 1.00 0.00 C ATOM 1156 C HIS A 76 -2.943 -3.917 4.191 1.00 0.00 C ATOM 1157 O HIS A 76 -4.163 -3.926 4.348 1.00 0.00 O ATOM 1158 CB HIS A 76 -1.786 -6.047 4.810 1.00 0.00 C ATOM 1159 CG HIS A 76 -2.908 -6.844 5.400 1.00 0.00 C ATOM 1160 ND1 HIS A 76 -3.290 -8.078 4.917 1.00 0.00 N ATOM 1161 CD2 HIS A 76 -3.733 -6.577 6.440 1.00 0.00 C ATOM 1162 CE1 HIS A 76 -4.302 -8.535 5.634 1.00 0.00 C ATOM 1163 NE2 HIS A 76 -4.589 -7.643 6.564 1.00 0.00 N ATOM 0 H HIS A 76 -0.162 -4.896 3.318 1.00 0.00 H new ATOM 0 HA HIS A 76 -2.902 -5.699 3.009 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -1.012 -6.730 4.460 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -1.339 -5.431 5.591 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -3.720 -5.691 7.057 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -4.808 -9.477 5.485 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.328 -7.732 7.262 1.00 0.00 H new ATOM 1171 N GLU A 77 -2.183 -2.863 4.472 1.00 0.00 N ATOM 1172 CA GLU A 77 -2.755 -1.628 4.993 1.00 0.00 C ATOM 1173 C GLU A 77 -3.366 -0.794 3.871 1.00 0.00 C ATOM 1174 O GLU A 77 -4.499 -0.324 3.978 1.00 0.00 O ATOM 1175 CB GLU A 77 -1.686 -0.814 5.725 1.00 0.00 C ATOM 1176 CG GLU A 77 -1.199 -1.461 7.010 1.00 0.00 C ATOM 1177 CD GLU A 77 -2.264 -1.484 8.091 1.00 0.00 C ATOM 1178 OE1 GLU A 77 -2.907 -0.436 8.310 1.00 0.00 O ATOM 1179 OE2 GLU A 77 -2.454 -2.549 8.715 1.00 0.00 O ATOM 0 H GLU A 77 -1.171 -2.840 4.348 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.545 -1.892 5.696 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.836 -0.665 5.059 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.088 0.173 5.955 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.878 -2.481 6.800 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.326 -0.921 7.376 1.00 0.00 H new ATOM 1186 N VAL A 78 -2.607 -0.614 2.795 1.00 0.00 N ATOM 1187 CA VAL A 78 -3.073 0.162 1.652 1.00 0.00 C ATOM 1188 C VAL A 78 -4.348 -0.434 1.066 1.00 0.00 C ATOM 1189 O VAL A 78 -5.212 0.287 0.567 1.00 0.00 O ATOM 1190 CB VAL A 78 -2.000 0.238 0.551 1.00 0.00 C ATOM 1191 CG1 VAL A 78 -1.783 -1.130 -0.079 1.00 0.00 C ATOM 1192 CG2 VAL A 78 -2.391 1.263 -0.504 1.00 0.00 C ATOM 0 H VAL A 78 -1.667 -0.995 2.691 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.281 1.168 2.016 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.061 0.556 1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.021 -1.056 -0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.456 -1.835 0.685 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.717 -1.480 -0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.621 1.304 -1.275 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.341 0.977 -0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.491 2.244 -0.039 1.00 0.00 H new ATOM 1202 N LEU A 79 -4.459 -1.757 1.128 1.00 0.00 N ATOM 1203 CA LEU A 79 -5.629 -2.452 0.603 1.00 0.00 C ATOM 1204 C LEU A 79 -6.805 -2.346 1.569 1.00 0.00 C ATOM 1205 O LEU A 79 -7.931 -2.053 1.164 1.00 0.00 O ATOM 1206 CB LEU A 79 -5.299 -3.923 0.345 1.00 0.00 C ATOM 1207 CG LEU A 79 -4.713 -4.247 -1.030 1.00 0.00 C ATOM 1208 CD1 LEU A 79 -4.171 -5.668 -1.057 1.00 0.00 C ATOM 1209 CD2 LEU A 79 -5.762 -4.055 -2.116 1.00 0.00 C ATOM 0 H LEU A 79 -3.753 -2.369 1.537 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.911 -1.978 -0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.593 -4.256 1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.209 -4.508 0.477 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.889 -3.561 -1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.758 -5.881 -2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.389 -5.773 -0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.977 -6.369 -0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.327 -4.290 -3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.607 -4.717 -1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.104 -3.020 -2.112 1.00 0.00 H new ATOM 1221 N LEU A 80 -6.536 -2.581 2.849 1.00 0.00 N ATOM 1222 CA LEU A 80 -7.570 -2.510 3.874 1.00 0.00 C ATOM 1223 C LEU A 80 -8.288 -1.165 3.831 1.00 0.00 C ATOM 1224 O LEU A 80 -9.511 -1.098 3.953 1.00 0.00 O ATOM 1225 CB LEU A 80 -6.960 -2.731 5.260 1.00 0.00 C ATOM 1226 CG LEU A 80 -6.857 -4.184 5.723 1.00 0.00 C ATOM 1227 CD1 LEU A 80 -6.002 -4.284 6.978 1.00 0.00 C ATOM 1228 CD2 LEU A 80 -8.241 -4.764 5.971 1.00 0.00 C ATOM 0 H LEU A 80 -5.610 -2.822 3.201 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.298 -3.297 3.675 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.961 -2.296 5.269 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.554 -2.180 5.989 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.378 -4.764 4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.939 -5.325 7.294 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.001 -3.908 6.767 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.452 -3.690 7.773 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.148 -5.799 6.300 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.747 -4.182 6.742 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.822 -4.727 5.049 1.00 0.00 H new ATOM 1240 N ILE A 81 -7.519 -0.095 3.654 1.00 0.00 N ATOM 1241 CA ILE A 81 -8.082 1.247 3.591 1.00 0.00 C ATOM 1242 C ILE A 81 -8.865 1.456 2.299 1.00 0.00 C ATOM 1243 O ILE A 81 -10.028 1.859 2.323 1.00 0.00 O ATOM 1244 CB ILE A 81 -6.984 2.324 3.691 1.00 0.00 C ATOM 1245 CG1 ILE A 81 -6.177 2.141 4.977 1.00 0.00 C ATOM 1246 CG2 ILE A 81 -7.599 3.714 3.638 1.00 0.00 C ATOM 1247 CD1 ILE A 81 -4.753 2.641 4.873 1.00 0.00 C ATOM 0 H ILE A 81 -6.505 -0.132 3.552 1.00 0.00 H new ATOM 0 HA ILE A 81 -8.756 1.345 4.442 1.00 0.00 H new ATOM 0 HB ILE A 81 -6.309 2.215 2.842 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.679 2.666 5.789 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -6.164 1.083 5.241 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.811 4.464 3.710 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.134 3.839 2.697 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.293 3.837 4.469 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.240 2.479 5.821 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.234 2.099 4.083 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.757 3.706 4.640 1.00 0.00 H new ATOM 1259 N SER A 82 -8.220 1.174 1.171 1.00 0.00 N ATOM 1260 CA SER A 82 -8.856 1.333 -0.132 1.00 0.00 C ATOM 1261 C SER A 82 -10.124 0.489 -0.224 1.00 0.00 C ATOM 1262 O SER A 82 -11.085 0.865 -0.893 1.00 0.00 O ATOM 1263 CB SER A 82 -7.885 0.938 -1.247 1.00 0.00 C ATOM 1264 OG SER A 82 -6.651 1.621 -1.113 1.00 0.00 O ATOM 0 H SER A 82 -7.259 0.835 1.133 1.00 0.00 H new ATOM 0 HA SER A 82 -9.129 2.382 -0.251 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.714 -0.138 -1.220 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.327 1.166 -2.217 1.00 0.00 H new ATOM 0 HG SER A 82 -5.998 1.034 -0.679 1.00 0.00 H new ATOM 1270 N ALA A 83 -10.116 -0.654 0.454 1.00 0.00 N ATOM 1271 CA ALA A 83 -11.265 -1.552 0.451 1.00 0.00 C ATOM 1272 C ALA A 83 -12.443 -0.938 1.200 1.00 0.00 C ATOM 1273 O ALA A 83 -13.557 -0.881 0.680 1.00 0.00 O ATOM 1274 CB ALA A 83 -10.888 -2.893 1.064 1.00 0.00 C ATOM 0 H ALA A 83 -9.327 -0.980 1.012 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.569 -1.711 -0.584 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.755 -3.554 1.055 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.082 -3.344 0.485 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.556 -2.743 2.091 1.00 0.00 H new ATOM 1280 N GLU A 84 -12.189 -0.480 2.421 1.00 0.00 N ATOM 1281 CA GLU A 84 -13.230 0.128 3.240 1.00 0.00 C ATOM 1282 C GLU A 84 -14.020 1.159 2.440 1.00 0.00 C ATOM 1283 O GLU A 84 -15.246 1.219 2.524 1.00 0.00 O ATOM 1284 CB GLU A 84 -12.616 0.787 4.477 1.00 0.00 C ATOM 1285 CG GLU A 84 -12.490 -0.149 5.667 1.00 0.00 C ATOM 1286 CD GLU A 84 -13.830 -0.472 6.299 1.00 0.00 C ATOM 1287 OE1 GLU A 84 -14.350 0.377 7.054 1.00 0.00 O ATOM 1288 OE2 GLU A 84 -14.359 -1.574 6.041 1.00 0.00 O ATOM 0 H GLU A 84 -11.271 -0.518 2.865 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.913 -0.660 3.558 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.628 1.171 4.221 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.227 1.644 4.763 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.011 -1.074 5.348 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.840 0.305 6.415 1.00 0.00 H new ATOM 1295 N GLN A 85 -13.306 1.969 1.664 1.00 0.00 N ATOM 1296 CA GLN A 85 -13.940 2.999 0.849 1.00 0.00 C ATOM 1297 C GLN A 85 -14.965 2.388 -0.100 1.00 0.00 C ATOM 1298 O GLN A 85 -16.046 2.942 -0.303 1.00 0.00 O ATOM 1299 CB GLN A 85 -12.885 3.769 0.052 1.00 0.00 C ATOM 1300 CG GLN A 85 -11.857 4.471 0.925 1.00 0.00 C ATOM 1301 CD GLN A 85 -12.490 5.408 1.934 1.00 0.00 C ATOM 1302 OE1 GLN A 85 -13.606 5.889 1.738 1.00 0.00 O ATOM 1303 NE2 GLN A 85 -11.779 5.672 3.024 1.00 0.00 N ATOM 0 H GLN A 85 -12.290 1.932 1.583 1.00 0.00 H new ATOM 0 HA GLN A 85 -14.456 3.689 1.517 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -12.371 3.079 -0.617 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.383 4.509 -0.575 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.263 3.724 1.452 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -11.172 5.035 0.291 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.858 5.252 3.146 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.154 6.295 3.739 1.00 0.00 H new