USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 497 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 Single : A 23 GLN : amide:sc= -0.0371 X(o=-0.037,f=-0.32) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 97:sc= 1.33 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -85:sc= 0.164 USER MOD Single : A 73 ASN : amide:sc= -1.31 K(o=-1.3,f=-2.9!) USER MOD Single : A 75 THR OG1 : rot 70:sc= -1.69 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.0239 X(o=-0.024,f=-0.12) USER MOD Single : A 91 SER OG : rot 180:sc= -0.0996 USER MOD Single : A 92 MET CE :methyl -162:sc= -0.144 (180deg=-0.644) USER MOD Single : A 93 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00504) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 215 N ILE A 14 0.125 -4.726 17.635 1.00 43.34 N ATOM 216 CA ILE A 14 -0.207 -4.128 18.922 1.00 21.30 C ATOM 217 C ILE A 14 -1.717 -4.037 19.112 1.00 12.51 C ATOM 218 O ILE A 14 -2.259 -4.526 20.104 1.00 41.32 O ATOM 219 CB ILE A 14 0.404 -2.722 19.064 1.00 15.43 C ATOM 220 CG1 ILE A 14 1.804 -2.809 19.674 1.00 43.14 C ATOM 221 CG2 ILE A 14 -0.496 -1.837 19.915 1.00 20.40 C ATOM 222 CD1 ILE A 14 2.674 -3.872 19.040 1.00 52.03 C ATOM 0 HA ILE A 14 0.215 -4.777 19.690 1.00 21.30 H new ATOM 0 HB ILE A 14 0.487 -2.277 18.073 1.00 15.43 H new ATOM 0 HG12 ILE A 14 2.296 -1.841 19.574 1.00 43.14 H new ATOM 0 HG13 ILE A 14 1.715 -3.013 20.741 1.00 43.14 H new ATOM 0 HG21 ILE A 14 -0.051 -0.846 20.006 1.00 20.40 H new ATOM 0 HG22 ILE A 14 -1.475 -1.753 19.443 1.00 20.40 H new ATOM 0 HG23 ILE A 14 -0.608 -2.277 20.906 1.00 20.40 H new ATOM 0 HD11 ILE A 14 3.652 -3.877 19.522 1.00 52.03 H new ATOM 0 HD12 ILE A 14 2.204 -4.848 19.163 1.00 52.03 H new ATOM 0 HD13 ILE A 14 2.794 -3.658 17.978 1.00 52.03 H new ATOM 234 N ILE A 15 -2.391 -3.408 18.155 1.00 72.53 N ATOM 235 CA ILE A 15 -3.840 -3.255 18.215 1.00 25.43 C ATOM 236 C ILE A 15 -4.522 -4.590 18.497 1.00 50.24 C ATOM 237 O ILE A 15 -5.580 -4.638 19.122 1.00 32.13 O ATOM 238 CB ILE A 15 -4.399 -2.672 16.905 1.00 53.52 C ATOM 239 CG1 ILE A 15 -3.708 -1.347 16.575 1.00 63.25 C ATOM 240 CG2 ILE A 15 -5.904 -2.477 17.012 1.00 74.01 C ATOM 241 CD1 ILE A 15 -3.755 -0.343 17.704 1.00 11.44 C ATOM 0 H ILE A 15 -1.957 -2.996 17.329 1.00 72.53 H new ATOM 0 HA ILE A 15 -4.051 -2.562 19.030 1.00 25.43 H new ATOM 0 HB ILE A 15 -4.199 -3.376 16.097 1.00 53.52 H new ATOM 0 HG12 ILE A 15 -2.667 -1.544 16.318 1.00 63.25 H new ATOM 0 HG13 ILE A 15 -4.178 -0.912 15.693 1.00 63.25 H new ATOM 0 HG21 ILE A 15 -6.285 -2.064 16.078 1.00 74.01 H new ATOM 0 HG22 ILE A 15 -6.382 -3.437 17.206 1.00 74.01 H new ATOM 0 HG23 ILE A 15 -6.125 -1.790 17.829 1.00 74.01 H new ATOM 0 HD11 ILE A 15 -3.246 0.571 17.399 1.00 11.44 H new ATOM 0 HD12 ILE A 15 -4.793 -0.117 17.947 1.00 11.44 H new ATOM 0 HD13 ILE A 15 -3.259 -0.759 18.581 1.00 11.44 H new ATOM 253 N GLY A 16 -3.907 -5.673 18.031 1.00 50.21 N ATOM 254 CA GLY A 16 -4.469 -6.994 18.244 1.00 44.14 C ATOM 255 C GLY A 16 -4.505 -7.379 19.709 1.00 35.12 C ATOM 256 O GLY A 16 -5.445 -8.033 20.164 1.00 53.13 O ATOM 0 H GLY A 16 -3.030 -5.659 17.510 1.00 50.21 H new ATOM 0 HA2 GLY A 16 -5.480 -7.025 17.838 1.00 44.14 H new ATOM 0 HA3 GLY A 16 -3.882 -7.729 17.693 1.00 44.14 H new ATOM 260 N LEU A 17 -3.480 -6.975 20.451 1.00 33.32 N ATOM 261 CA LEU A 17 -3.398 -7.283 21.875 1.00 61.42 C ATOM 262 C LEU A 17 -4.199 -6.279 22.697 1.00 43.43 C ATOM 263 O LEU A 17 -4.813 -6.633 23.703 1.00 71.11 O ATOM 264 CB LEU A 17 -1.938 -7.286 22.332 1.00 13.14 C ATOM 265 CG LEU A 17 -0.925 -7.858 21.341 1.00 42.04 C ATOM 266 CD1 LEU A 17 0.484 -7.773 21.908 1.00 34.40 C ATOM 267 CD2 LEU A 17 -1.275 -9.297 20.990 1.00 11.23 C ATOM 0 H LEU A 17 -2.694 -6.434 20.091 1.00 33.32 H new ATOM 0 HA LEU A 17 -3.824 -8.274 22.033 1.00 61.42 H new ATOM 0 HB2 LEU A 17 -1.649 -6.261 22.565 1.00 13.14 H new ATOM 0 HB3 LEU A 17 -1.870 -7.855 23.259 1.00 13.14 H new ATOM 0 HG LEU A 17 -0.964 -7.263 20.428 1.00 42.04 H new ATOM 0 HD11 LEU A 17 1.191 -8.185 21.188 1.00 34.40 H new ATOM 0 HD12 LEU A 17 0.734 -6.731 22.107 1.00 34.40 H new ATOM 0 HD13 LEU A 17 0.538 -8.342 22.836 1.00 34.40 H new ATOM 0 HD21 LEU A 17 -0.543 -9.688 20.283 1.00 11.23 H new ATOM 0 HD22 LEU A 17 -1.266 -9.905 21.895 1.00 11.23 H new ATOM 0 HD23 LEU A 17 -2.267 -9.331 20.540 1.00 11.23 H new ATOM 279 N VAL A 18 -4.189 -5.023 22.260 1.00 32.11 N ATOM 280 CA VAL A 18 -4.917 -3.967 22.953 1.00 32.12 C ATOM 281 C VAL A 18 -6.417 -4.079 22.705 1.00 72.43 C ATOM 282 O VAL A 18 -7.226 -3.588 23.492 1.00 74.31 O ATOM 283 CB VAL A 18 -4.438 -2.572 22.511 1.00 1.32 C ATOM 284 CG1 VAL A 18 -2.932 -2.568 22.293 1.00 35.24 C ATOM 285 CG2 VAL A 18 -5.168 -2.132 21.251 1.00 32.31 C ATOM 0 H VAL A 18 -3.685 -4.713 21.429 1.00 32.11 H new ATOM 0 HA VAL A 18 -4.717 -4.091 24.017 1.00 32.12 H new ATOM 0 HB VAL A 18 -4.668 -1.861 23.304 1.00 1.32 H new ATOM 0 HG11 VAL A 18 -2.612 -1.574 21.981 1.00 35.24 H new ATOM 0 HG12 VAL A 18 -2.429 -2.836 23.222 1.00 35.24 H new ATOM 0 HG13 VAL A 18 -2.674 -3.291 21.519 1.00 35.24 H new ATOM 0 HG21 VAL A 18 -4.817 -1.144 20.953 1.00 32.31 H new ATOM 0 HG22 VAL A 18 -4.971 -2.844 20.449 1.00 32.31 H new ATOM 0 HG23 VAL A 18 -6.240 -2.092 21.446 1.00 32.31 H new ATOM 295 N VAL A 19 -6.782 -4.730 21.605 1.00 72.24 N ATOM 296 CA VAL A 19 -8.186 -4.909 21.252 1.00 23.13 C ATOM 297 C VAL A 19 -8.703 -6.263 21.725 1.00 65.21 C ATOM 298 O VAL A 19 -9.768 -6.355 22.335 1.00 15.34 O ATOM 299 CB VAL A 19 -8.402 -4.791 19.732 1.00 71.41 C ATOM 300 CG1 VAL A 19 -9.813 -5.219 19.359 1.00 54.33 C ATOM 301 CG2 VAL A 19 -8.125 -3.371 19.263 1.00 23.11 C ATOM 0 H VAL A 19 -6.125 -5.142 20.943 1.00 72.24 H new ATOM 0 HA VAL A 19 -8.742 -4.116 21.753 1.00 23.13 H new ATOM 0 HB VAL A 19 -7.701 -5.458 19.230 1.00 71.41 H new ATOM 0 HG11 VAL A 19 -9.948 -5.129 18.281 1.00 54.33 H new ATOM 0 HG12 VAL A 19 -9.970 -6.255 19.659 1.00 54.33 H new ATOM 0 HG13 VAL A 19 -10.534 -4.580 19.869 1.00 54.33 H new ATOM 0 HG21 VAL A 19 -8.283 -3.306 18.186 1.00 23.11 H new ATOM 0 HG22 VAL A 19 -8.800 -2.682 19.771 1.00 23.11 H new ATOM 0 HG23 VAL A 19 -7.094 -3.106 19.495 1.00 23.11 H new ATOM 311 N LEU A 20 -7.941 -7.313 21.439 1.00 23.35 N ATOM 312 CA LEU A 20 -8.321 -8.665 21.836 1.00 41.22 C ATOM 313 C LEU A 20 -7.868 -8.962 23.262 1.00 41.23 C ATOM 314 O LEU A 20 -8.137 -10.036 23.799 1.00 51.45 O ATOM 315 CB LEU A 20 -7.717 -9.689 20.873 1.00 12.30 C ATOM 316 CG LEU A 20 -8.410 -11.051 20.821 1.00 22.01 C ATOM 317 CD1 LEU A 20 -9.921 -10.884 20.865 1.00 3.31 C ATOM 318 CD2 LEU A 20 -7.992 -11.815 19.573 1.00 41.51 C ATOM 0 H LEU A 20 -7.057 -7.255 20.934 1.00 23.35 H new ATOM 0 HA LEU A 20 -9.408 -8.736 21.798 1.00 41.22 H new ATOM 0 HB2 LEU A 20 -7.723 -9.262 19.870 1.00 12.30 H new ATOM 0 HB3 LEU A 20 -6.674 -9.845 21.147 1.00 12.30 H new ATOM 0 HG LEU A 20 -8.103 -11.626 21.695 1.00 22.01 H new ATOM 0 HD11 LEU A 20 -10.397 -11.864 20.827 1.00 3.31 H new ATOM 0 HD12 LEU A 20 -10.204 -10.379 21.788 1.00 3.31 H new ATOM 0 HD13 LEU A 20 -10.246 -10.289 20.011 1.00 3.31 H new ATOM 0 HD21 LEU A 20 -8.495 -12.782 19.553 1.00 41.51 H new ATOM 0 HD22 LEU A 20 -8.268 -11.244 18.687 1.00 41.51 H new ATOM 0 HD23 LEU A 20 -6.913 -11.968 19.584 1.00 41.51 H new ATOM 330 N GLY A 21 -7.180 -8.001 23.871 1.00 24.10 N ATOM 331 CA GLY A 21 -6.702 -8.178 25.230 1.00 72.20 C ATOM 332 C GLY A 21 -5.648 -9.263 25.338 1.00 55.54 C ATOM 333 O GLY A 21 -5.798 -10.359 24.797 1.00 3.33 O ATOM 0 H GLY A 21 -6.945 -7.103 23.448 1.00 24.10 H new ATOM 0 HA2 GLY A 21 -6.288 -7.237 25.592 1.00 72.20 H new ATOM 0 HA3 GLY A 21 -7.543 -8.427 25.878 1.00 72.20 H new ATOM 337 N PRO A 22 -4.552 -8.959 26.049 1.00 73.44 N ATOM 338 CA PRO A 22 -3.447 -9.903 26.241 1.00 73.31 C ATOM 339 C PRO A 22 -3.831 -11.069 27.146 1.00 54.11 C ATOM 340 O PRO A 22 -3.031 -11.973 27.381 1.00 64.32 O ATOM 341 CB PRO A 22 -2.362 -9.049 26.901 1.00 61.13 C ATOM 342 CG PRO A 22 -3.105 -7.950 27.579 1.00 62.12 C ATOM 343 CD PRO A 22 -4.307 -7.672 26.720 1.00 15.12 C ATOM 0 HA PRO A 22 -3.136 -10.362 25.303 1.00 73.31 H new ATOM 0 HB2 PRO A 22 -1.779 -9.632 27.614 1.00 61.13 H new ATOM 0 HB3 PRO A 22 -1.663 -8.657 26.162 1.00 61.13 H new ATOM 0 HG2 PRO A 22 -3.404 -8.244 28.585 1.00 62.12 H new ATOM 0 HG3 PRO A 22 -2.482 -7.061 27.678 1.00 62.12 H new ATOM 0 HD2 PRO A 22 -5.164 -7.361 27.317 1.00 15.12 H new ATOM 0 HD3 PRO A 22 -4.112 -6.875 26.002 1.00 15.12 H new ATOM 351 N GLN A 23 -5.061 -11.040 27.650 1.00 21.50 N ATOM 352 CA GLN A 23 -5.550 -12.096 28.530 1.00 41.44 C ATOM 353 C GLN A 23 -5.634 -13.426 27.789 1.00 25.31 C ATOM 354 O GLN A 23 -5.308 -14.477 28.342 1.00 2.00 O ATOM 355 CB GLN A 23 -6.923 -11.724 29.092 1.00 30.30 C ATOM 356 CG GLN A 23 -6.995 -10.306 29.636 1.00 64.52 C ATOM 357 CD GLN A 23 -7.544 -10.250 31.048 1.00 63.03 C ATOM 358 OE1 GLN A 23 -8.444 -11.009 31.407 1.00 73.13 O ATOM 359 NE2 GLN A 23 -7.003 -9.348 31.858 1.00 4.20 N ATOM 0 H GLN A 23 -5.736 -10.298 27.465 1.00 21.50 H new ATOM 0 HA GLN A 23 -4.845 -12.204 29.354 1.00 41.44 H new ATOM 0 HB2 GLN A 23 -7.671 -11.842 28.308 1.00 30.30 H new ATOM 0 HB3 GLN A 23 -7.182 -12.423 29.887 1.00 30.30 H new ATOM 0 HG2 GLN A 23 -5.999 -9.864 29.620 1.00 64.52 H new ATOM 0 HG3 GLN A 23 -7.623 -9.701 28.982 1.00 64.52 H new ATOM 0 HE21 GLN A 23 -6.259 -8.739 31.518 1.00 4.20 H new ATOM 0 HE22 GLN A 23 -7.332 -9.264 32.820 1.00 4.20 H new ATOM 368 N ARG A 24 -6.072 -13.374 26.536 1.00 53.23 N ATOM 369 CA ARG A 24 -6.200 -14.575 25.720 1.00 33.51 C ATOM 370 C ARG A 24 -5.589 -14.362 24.338 1.00 23.44 C ATOM 371 O ARG A 24 -6.209 -14.668 23.319 1.00 13.32 O ATOM 372 CB ARG A 24 -7.672 -14.970 25.583 1.00 61.11 C ATOM 373 CG ARG A 24 -8.602 -13.788 25.365 1.00 43.24 C ATOM 374 CD ARG A 24 -8.670 -13.397 23.897 1.00 54.43 C ATOM 375 NE ARG A 24 -9.667 -12.357 23.653 1.00 3.13 N ATOM 376 CZ ARG A 24 -10.977 -12.560 23.739 1.00 3.10 C ATOM 377 NH1 ARG A 24 -11.446 -13.758 24.061 1.00 44.41 N ATOM 378 NH2 ARG A 24 -11.821 -11.563 23.503 1.00 65.50 N ATOM 0 H ARG A 24 -6.344 -12.512 26.063 1.00 53.23 H new ATOM 0 HA ARG A 24 -5.659 -15.380 26.217 1.00 33.51 H new ATOM 0 HB2 ARG A 24 -7.777 -15.663 24.748 1.00 61.11 H new ATOM 0 HB3 ARG A 24 -7.981 -15.504 26.482 1.00 61.11 H new ATOM 0 HG2 ARG A 24 -9.601 -14.038 25.723 1.00 43.24 H new ATOM 0 HG3 ARG A 24 -8.256 -12.938 25.954 1.00 43.24 H new ATOM 0 HD2 ARG A 24 -7.692 -13.045 23.570 1.00 54.43 H new ATOM 0 HD3 ARG A 24 -8.909 -14.276 23.298 1.00 54.43 H new ATOM 0 HE ARG A 24 -9.339 -11.424 23.403 1.00 3.13 H new ATOM 0 HH11 ARG A 24 -10.800 -14.526 24.243 1.00 44.41 H new ATOM 0 HH12 ARG A 24 -12.452 -13.911 24.126 1.00 44.41 H new ATOM 0 HH21 ARG A 24 -11.464 -10.640 23.255 1.00 65.50 H new ATOM 0 HH22 ARG A 24 -12.827 -11.720 23.569 1.00 65.50 H new ATOM 392 N LEU A 25 -4.369 -13.836 24.312 1.00 72.42 N ATOM 393 CA LEU A 25 -3.673 -13.582 23.055 1.00 11.34 C ATOM 394 C LEU A 25 -3.222 -14.887 22.408 1.00 21.24 C ATOM 395 O LEU A 25 -3.523 -15.171 21.249 1.00 52.42 O ATOM 396 CB LEU A 25 -2.466 -12.673 23.294 1.00 64.34 C ATOM 397 CG LEU A 25 -1.471 -12.562 22.137 1.00 12.44 C ATOM 398 CD1 LEU A 25 -0.428 -13.665 22.222 1.00 72.22 C ATOM 399 CD2 LEU A 25 -2.198 -12.614 20.802 1.00 54.44 C ATOM 0 H LEU A 25 -3.842 -13.577 25.146 1.00 72.42 H new ATOM 0 HA LEU A 25 -4.367 -13.084 22.377 1.00 11.34 H new ATOM 0 HB2 LEU A 25 -2.830 -11.673 23.531 1.00 64.34 H new ATOM 0 HB3 LEU A 25 -1.932 -13.035 24.173 1.00 64.34 H new ATOM 0 HG LEU A 25 -0.961 -11.602 22.213 1.00 12.44 H new ATOM 0 HD11 LEU A 25 0.271 -13.570 21.391 1.00 72.22 H new ATOM 0 HD12 LEU A 25 0.114 -13.581 23.164 1.00 72.22 H new ATOM 0 HD13 LEU A 25 -0.921 -14.636 22.172 1.00 72.22 H new ATOM 0 HD21 LEU A 25 -1.475 -12.534 19.990 1.00 54.44 H new ATOM 0 HD22 LEU A 25 -2.735 -13.558 20.717 1.00 54.44 H new ATOM 0 HD23 LEU A 25 -2.906 -11.787 20.741 1.00 54.44 H new ATOM 411 N PRO A 26 -2.484 -15.704 23.175 1.00 45.41 N ATOM 412 CA PRO A 26 -1.977 -16.994 22.698 1.00 35.12 C ATOM 413 C PRO A 26 -3.091 -18.019 22.508 1.00 5.12 C ATOM 414 O PRO A 26 -2.856 -19.119 22.008 1.00 75.11 O ATOM 415 CB PRO A 26 -1.028 -17.437 23.814 1.00 2.21 C ATOM 416 CG PRO A 26 -1.529 -16.746 25.035 1.00 53.42 C ATOM 417 CD PRO A 26 -2.086 -15.430 24.566 1.00 14.22 C ATOM 0 HA PRO A 26 -1.499 -16.909 21.722 1.00 35.12 H new ATOM 0 HB2 PRO A 26 -1.042 -18.520 23.938 1.00 2.21 H new ATOM 0 HB3 PRO A 26 0.001 -17.154 23.594 1.00 2.21 H new ATOM 0 HG2 PRO A 26 -2.296 -17.340 25.532 1.00 53.42 H new ATOM 0 HG3 PRO A 26 -0.725 -16.595 25.756 1.00 53.42 H new ATOM 0 HD2 PRO A 26 -2.935 -15.114 25.172 1.00 14.22 H new ATOM 0 HD3 PRO A 26 -1.342 -14.636 24.622 1.00 14.22 H new ATOM 425 N VAL A 27 -4.303 -17.651 22.910 1.00 2.45 N ATOM 426 CA VAL A 27 -5.453 -18.538 22.783 1.00 41.41 C ATOM 427 C VAL A 27 -5.781 -18.805 21.318 1.00 22.03 C ATOM 428 O VAL A 27 -5.953 -19.953 20.910 1.00 65.12 O ATOM 429 CB VAL A 27 -6.696 -17.949 23.477 1.00 44.55 C ATOM 430 CG1 VAL A 27 -7.931 -18.774 23.151 1.00 61.23 C ATOM 431 CG2 VAL A 27 -6.479 -17.869 24.980 1.00 24.21 C ATOM 0 H VAL A 27 -4.514 -16.744 23.327 1.00 2.45 H new ATOM 0 HA VAL A 27 -5.185 -19.476 23.270 1.00 41.41 H new ATOM 0 HB VAL A 27 -6.855 -16.938 23.102 1.00 44.55 H new ATOM 0 HG11 VAL A 27 -8.799 -18.343 23.650 1.00 61.23 H new ATOM 0 HG12 VAL A 27 -8.095 -18.774 22.073 1.00 61.23 H new ATOM 0 HG13 VAL A 27 -7.786 -19.798 23.496 1.00 61.23 H new ATOM 0 HG21 VAL A 27 -7.367 -17.451 25.454 1.00 24.21 H new ATOM 0 HG22 VAL A 27 -6.294 -18.868 25.375 1.00 24.21 H new ATOM 0 HG23 VAL A 27 -5.621 -17.231 25.190 1.00 24.21 H new ATOM 441 N ALA A 28 -5.866 -17.737 20.532 1.00 2.10 N ATOM 442 CA ALA A 28 -6.171 -17.856 19.112 1.00 64.34 C ATOM 443 C ALA A 28 -5.052 -18.579 18.369 1.00 43.41 C ATOM 444 O ALA A 28 -5.293 -19.558 17.664 1.00 63.44 O ATOM 445 CB ALA A 28 -6.407 -16.481 18.505 1.00 12.03 C ATOM 0 H ALA A 28 -5.728 -16.779 20.855 1.00 2.10 H new ATOM 0 HA ALA A 28 -7.081 -18.447 19.010 1.00 64.34 H new ATOM 0 HB1 ALA A 28 -6.634 -16.586 17.444 1.00 12.03 H new ATOM 0 HB2 ALA A 28 -7.245 -16.000 19.009 1.00 12.03 H new ATOM 0 HB3 ALA A 28 -5.512 -15.871 18.626 1.00 12.03 H new ATOM 451 N VAL A 29 -3.827 -18.088 18.531 1.00 21.12 N ATOM 452 CA VAL A 29 -2.670 -18.687 17.876 1.00 34.32 C ATOM 453 C VAL A 29 -2.572 -20.176 18.189 1.00 23.12 C ATOM 454 O VAL A 29 -2.551 -21.012 17.286 1.00 60.14 O ATOM 455 CB VAL A 29 -1.362 -17.996 18.304 1.00 32.13 C ATOM 456 CG1 VAL A 29 -0.190 -18.520 17.489 1.00 23.34 C ATOM 457 CG2 VAL A 29 -1.487 -16.487 18.164 1.00 52.51 C ATOM 0 H VAL A 29 -3.610 -17.277 19.110 1.00 21.12 H new ATOM 0 HA VAL A 29 -2.808 -18.552 16.803 1.00 34.32 H new ATOM 0 HB VAL A 29 -1.176 -18.226 19.353 1.00 32.13 H new ATOM 0 HG11 VAL A 29 0.726 -18.020 17.805 1.00 23.34 H new ATOM 0 HG12 VAL A 29 -0.090 -19.594 17.645 1.00 23.34 H new ATOM 0 HG13 VAL A 29 -0.365 -18.322 16.432 1.00 23.34 H new ATOM 0 HG21 VAL A 29 -0.554 -16.015 18.471 1.00 52.51 H new ATOM 0 HG22 VAL A 29 -1.697 -16.234 17.125 1.00 52.51 H new ATOM 0 HG23 VAL A 29 -2.300 -16.129 18.796 1.00 52.51 H new ATOM 467 N LYS A 30 -2.511 -20.502 19.476 1.00 14.30 N ATOM 468 CA LYS A 30 -2.417 -21.890 19.911 1.00 64.22 C ATOM 469 C LYS A 30 -3.548 -22.724 19.318 1.00 31.25 C ATOM 470 O LYS A 30 -3.320 -23.810 18.783 1.00 4.43 O ATOM 471 CB LYS A 30 -2.455 -21.972 21.438 1.00 4.45 C ATOM 472 CG LYS A 30 -1.175 -21.497 22.105 1.00 63.52 C ATOM 473 CD LYS A 30 -0.141 -22.608 22.180 1.00 23.42 C ATOM 474 CE LYS A 30 1.276 -22.055 22.147 1.00 54.21 C ATOM 475 NZ LYS A 30 2.010 -22.482 20.924 1.00 74.23 N ATOM 0 H LYS A 30 -2.525 -19.822 20.237 1.00 14.30 H new ATOM 0 HA LYS A 30 -1.468 -22.292 19.556 1.00 64.22 H new ATOM 0 HB2 LYS A 30 -3.289 -21.374 21.805 1.00 4.45 H new ATOM 0 HB3 LYS A 30 -2.648 -23.003 21.733 1.00 4.45 H new ATOM 0 HG2 LYS A 30 -0.765 -20.654 21.549 1.00 63.52 H new ATOM 0 HG3 LYS A 30 -1.398 -21.138 23.110 1.00 63.52 H new ATOM 0 HD2 LYS A 30 -0.288 -23.181 23.095 1.00 23.42 H new ATOM 0 HD3 LYS A 30 -0.284 -23.296 21.347 1.00 23.42 H new ATOM 0 HE2 LYS A 30 1.242 -20.966 22.188 1.00 54.21 H new ATOM 0 HE3 LYS A 30 1.818 -22.391 23.031 1.00 54.21 H new ATOM 0 HZ1 LYS A 30 2.971 -22.085 20.939 1.00 74.23 H new ATOM 0 HZ2 LYS A 30 2.065 -23.520 20.897 1.00 74.23 H new ATOM 0 HZ3 LYS A 30 1.507 -22.140 20.080 1.00 74.23 H new ATOM 489 N THR A 31 -4.770 -22.210 19.416 1.00 12.11 N ATOM 490 CA THR A 31 -5.937 -22.907 18.890 1.00 51.10 C ATOM 491 C THR A 31 -5.776 -23.204 17.404 1.00 62.44 C ATOM 492 O THR A 31 -5.707 -24.364 16.996 1.00 22.12 O ATOM 493 CB THR A 31 -7.224 -22.087 19.101 1.00 2.21 C ATOM 494 OG1 THR A 31 -7.535 -22.014 20.497 1.00 60.31 O ATOM 495 CG2 THR A 31 -8.391 -22.707 18.348 1.00 64.33 C ATOM 0 H THR A 31 -4.977 -21.313 19.855 1.00 12.11 H new ATOM 0 HA THR A 31 -6.019 -23.845 19.439 1.00 51.10 H new ATOM 0 HB THR A 31 -7.056 -21.082 18.714 1.00 2.21 H new ATOM 0 HG1 THR A 31 -7.193 -21.172 20.865 1.00 60.31 H new ATOM 0 HG21 THR A 31 -9.288 -22.110 18.512 1.00 64.33 H new ATOM 0 HG22 THR A 31 -8.163 -22.734 17.282 1.00 64.33 H new ATOM 0 HG23 THR A 31 -8.559 -23.722 18.709 1.00 64.33 H new ATOM 503 N VAL A 32 -5.716 -22.150 16.597 1.00 45.33 N ATOM 504 CA VAL A 32 -5.560 -22.298 15.155 1.00 73.33 C ATOM 505 C VAL A 32 -4.459 -23.298 14.821 1.00 42.14 C ATOM 506 O VAL A 32 -4.719 -24.355 14.246 1.00 42.51 O ATOM 507 CB VAL A 32 -5.236 -20.951 14.483 1.00 12.52 C ATOM 508 CG1 VAL A 32 -5.100 -21.123 12.978 1.00 12.41 C ATOM 509 CG2 VAL A 32 -6.304 -19.920 14.816 1.00 52.41 C ATOM 0 H VAL A 32 -5.773 -21.183 16.918 1.00 45.33 H new ATOM 0 HA VAL A 32 -6.511 -22.667 14.771 1.00 73.33 H new ATOM 0 HB VAL A 32 -4.283 -20.592 14.870 1.00 12.52 H new ATOM 0 HG11 VAL A 32 -4.871 -20.160 12.521 1.00 12.41 H new ATOM 0 HG12 VAL A 32 -4.296 -21.827 12.763 1.00 12.41 H new ATOM 0 HG13 VAL A 32 -6.035 -21.505 12.569 1.00 12.41 H new ATOM 0 HG21 VAL A 32 -6.059 -18.974 14.333 1.00 52.41 H new ATOM 0 HG22 VAL A 32 -7.272 -20.270 14.458 1.00 52.41 H new ATOM 0 HG23 VAL A 32 -6.347 -19.776 15.896 1.00 52.41 H new ATOM 519 N ALA A 33 -3.227 -22.957 15.185 1.00 12.32 N ATOM 520 CA ALA A 33 -2.086 -23.825 14.927 1.00 64.43 C ATOM 521 C ALA A 33 -2.319 -25.222 15.492 1.00 33.13 C ATOM 522 O ALA A 33 -1.728 -26.197 15.030 1.00 41.41 O ATOM 523 CB ALA A 33 -0.819 -23.221 15.514 1.00 22.12 C ATOM 0 H ALA A 33 -2.994 -22.085 15.660 1.00 12.32 H new ATOM 0 HA ALA A 33 -1.966 -23.914 13.847 1.00 64.43 H new ATOM 0 HB1 ALA A 33 0.025 -23.881 15.313 1.00 22.12 H new ATOM 0 HB2 ALA A 33 -0.635 -22.248 15.059 1.00 22.12 H new ATOM 0 HB3 ALA A 33 -0.938 -23.101 16.591 1.00 22.12 H new ATOM 529 N GLY A 34 -3.186 -25.312 16.497 1.00 41.42 N ATOM 530 CA GLY A 34 -3.481 -26.593 17.110 1.00 75.55 C ATOM 531 C GLY A 34 -4.081 -27.581 16.128 1.00 50.31 C ATOM 532 O GLY A 34 -3.448 -28.576 15.774 1.00 55.43 O ATOM 0 H GLY A 34 -3.689 -24.520 16.897 1.00 41.42 H new ATOM 0 HA2 GLY A 34 -2.566 -27.012 17.528 1.00 75.55 H new ATOM 0 HA3 GLY A 34 -4.172 -26.445 17.940 1.00 75.55 H new ATOM 536 N TRP A 35 -5.304 -27.307 15.689 1.00 51.00 N ATOM 537 CA TRP A 35 -5.990 -28.180 14.743 1.00 21.53 C ATOM 538 C TRP A 35 -5.419 -28.017 13.339 1.00 53.01 C ATOM 539 O TRP A 35 -5.561 -28.902 12.495 1.00 72.31 O ATOM 540 CB TRP A 35 -7.490 -27.881 14.736 1.00 42.30 C ATOM 541 CG TRP A 35 -7.803 -26.421 14.604 1.00 71.05 C ATOM 542 CD1 TRP A 35 -7.925 -25.514 15.617 1.00 50.30 C ATOM 543 CD2 TRP A 35 -8.036 -25.701 13.388 1.00 71.41 C ATOM 544 NE1 TRP A 35 -8.220 -24.273 15.104 1.00 21.35 N ATOM 545 CE2 TRP A 35 -8.293 -24.362 13.739 1.00 4.35 C ATOM 546 CE3 TRP A 35 -8.051 -26.058 12.037 1.00 51.32 C ATOM 547 CZ2 TRP A 35 -8.561 -23.381 12.788 1.00 35.22 C ATOM 548 CZ3 TRP A 35 -8.318 -25.084 11.094 1.00 55.51 C ATOM 549 CH2 TRP A 35 -8.570 -23.758 11.473 1.00 61.12 C ATOM 0 H TRP A 35 -5.841 -26.488 15.973 1.00 51.00 H new ATOM 0 HA TRP A 35 -5.835 -29.211 15.060 1.00 21.53 H new ATOM 0 HB2 TRP A 35 -7.957 -28.422 13.913 1.00 42.30 H new ATOM 0 HB3 TRP A 35 -7.933 -28.259 15.658 1.00 42.30 H new ATOM 0 HD1 TRP A 35 -7.807 -25.738 16.667 1.00 50.30 H new ATOM 0 HE1 TRP A 35 -8.362 -23.424 15.651 1.00 21.35 H new ATOM 0 HE3 TRP A 35 -7.857 -27.077 11.735 1.00 51.32 H new ATOM 0 HZ2 TRP A 35 -8.755 -22.359 13.078 1.00 35.22 H new ATOM 0 HZ3 TRP A 35 -8.333 -25.349 10.047 1.00 55.51 H new ATOM 0 HH2 TRP A 35 -8.775 -23.020 10.712 1.00 61.12 H new ATOM 560 N ILE A 36 -4.774 -26.881 13.096 1.00 73.15 N ATOM 561 CA ILE A 36 -4.182 -26.604 11.793 1.00 5.11 C ATOM 562 C ILE A 36 -3.005 -27.533 11.516 1.00 63.14 C ATOM 563 O ILE A 36 -2.929 -28.156 10.457 1.00 72.44 O ATOM 564 CB ILE A 36 -3.703 -25.143 11.692 1.00 60.52 C ATOM 565 CG1 ILE A 36 -4.878 -24.220 11.364 1.00 34.32 C ATOM 566 CG2 ILE A 36 -2.612 -25.015 10.639 1.00 74.42 C ATOM 567 CD1 ILE A 36 -5.447 -24.435 9.979 1.00 13.41 C ATOM 0 H ILE A 36 -4.648 -26.138 13.784 1.00 73.15 H new ATOM 0 HA ILE A 36 -4.960 -26.775 11.049 1.00 5.11 H new ATOM 0 HB ILE A 36 -3.288 -24.844 12.655 1.00 60.52 H new ATOM 0 HG12 ILE A 36 -5.667 -24.374 12.100 1.00 34.32 H new ATOM 0 HG13 ILE A 36 -4.553 -23.184 11.458 1.00 34.32 H new ATOM 0 HG21 ILE A 36 -2.284 -23.977 10.579 1.00 74.42 H new ATOM 0 HG22 ILE A 36 -1.767 -25.648 10.912 1.00 74.42 H new ATOM 0 HG23 ILE A 36 -3.002 -25.328 9.671 1.00 74.42 H new ATOM 0 HD11 ILE A 36 -6.276 -23.747 9.816 1.00 13.41 H new ATOM 0 HD12 ILE A 36 -4.672 -24.252 9.235 1.00 13.41 H new ATOM 0 HD13 ILE A 36 -5.803 -25.461 9.887 1.00 13.41 H new ATOM 579 N ARG A 37 -2.089 -27.622 12.475 1.00 72.21 N ATOM 580 CA ARG A 37 -0.916 -28.476 12.334 1.00 20.13 C ATOM 581 C ARG A 37 -1.299 -29.949 12.444 1.00 53.01 C ATOM 582 O ARG A 37 -0.784 -30.791 11.709 1.00 1.01 O ATOM 583 CB ARG A 37 0.125 -28.128 13.400 1.00 31.31 C ATOM 584 CG ARG A 37 0.973 -26.916 13.051 1.00 72.23 C ATOM 585 CD ARG A 37 1.746 -27.131 11.759 1.00 51.22 C ATOM 586 NE ARG A 37 3.184 -26.964 11.948 1.00 64.13 N ATOM 587 CZ ARG A 37 3.977 -27.915 12.429 1.00 5.21 C ATOM 588 NH1 ARG A 37 3.474 -29.094 12.768 1.00 3.32 N ATOM 589 NH2 ARG A 37 5.277 -27.687 12.572 1.00 71.32 N ATOM 0 H ARG A 37 -2.137 -27.113 13.358 1.00 72.21 H new ATOM 0 HA ARG A 37 -0.488 -28.303 11.347 1.00 20.13 H new ATOM 0 HB2 ARG A 37 -0.384 -27.944 14.346 1.00 31.31 H new ATOM 0 HB3 ARG A 37 0.779 -28.987 13.551 1.00 31.31 H new ATOM 0 HG2 ARG A 37 0.333 -26.039 12.952 1.00 72.23 H new ATOM 0 HG3 ARG A 37 1.670 -26.712 13.864 1.00 72.23 H new ATOM 0 HD2 ARG A 37 1.544 -28.132 11.378 1.00 51.22 H new ATOM 0 HD3 ARG A 37 1.395 -26.426 11.005 1.00 51.22 H new ATOM 0 HE ARG A 37 3.603 -26.068 11.697 1.00 64.13 H new ATOM 0 HH11 ARG A 37 2.476 -29.273 12.660 1.00 3.32 H new ATOM 0 HH12 ARG A 37 4.085 -29.822 13.137 1.00 3.32 H new ATOM 0 HH21 ARG A 37 5.667 -26.781 12.312 1.00 71.32 H new ATOM 0 HH22 ARG A 37 5.885 -28.418 12.941 1.00 71.32 H new ATOM 603 N ALA A 38 -2.207 -30.252 13.367 1.00 45.14 N ATOM 604 CA ALA A 38 -2.660 -31.622 13.571 1.00 22.13 C ATOM 605 C ALA A 38 -3.236 -32.207 12.287 1.00 75.33 C ATOM 606 O ALA A 38 -2.871 -33.310 11.876 1.00 55.31 O ATOM 607 CB ALA A 38 -3.692 -31.675 14.688 1.00 72.13 C ATOM 0 H ALA A 38 -2.643 -29.567 13.985 1.00 45.14 H new ATOM 0 HA ALA A 38 -1.798 -32.225 13.858 1.00 22.13 H new ATOM 0 HB1 ALA A 38 -4.022 -32.704 14.830 1.00 72.13 H new ATOM 0 HB2 ALA A 38 -3.247 -31.306 15.612 1.00 72.13 H new ATOM 0 HB3 ALA A 38 -4.547 -31.053 14.423 1.00 72.13 H new ATOM 613 N LEU A 39 -4.139 -31.464 11.656 1.00 0.35 N ATOM 614 CA LEU A 39 -4.767 -31.909 10.418 1.00 73.44 C ATOM 615 C LEU A 39 -3.750 -31.973 9.283 1.00 24.22 C ATOM 616 O LEU A 39 -3.609 -33.000 8.619 1.00 31.32 O ATOM 617 CB LEU A 39 -5.914 -30.971 10.038 1.00 44.45 C ATOM 618 CG LEU A 39 -7.326 -31.504 10.279 1.00 51.02 C ATOM 619 CD1 LEU A 39 -7.840 -31.059 11.639 1.00 2.42 C ATOM 620 CD2 LEU A 39 -8.266 -31.043 9.175 1.00 52.24 C ATOM 0 H LEU A 39 -4.452 -30.550 11.982 1.00 0.35 H new ATOM 0 HA LEU A 39 -5.164 -32.911 10.582 1.00 73.44 H new ATOM 0 HB2 LEU A 39 -5.798 -30.043 10.597 1.00 44.45 H new ATOM 0 HB3 LEU A 39 -5.817 -30.721 8.981 1.00 44.45 H new ATOM 0 HG LEU A 39 -7.289 -32.593 10.266 1.00 51.02 H new ATOM 0 HD11 LEU A 39 -8.847 -31.448 11.793 1.00 2.42 H new ATOM 0 HD12 LEU A 39 -7.181 -31.439 12.419 1.00 2.42 H new ATOM 0 HD13 LEU A 39 -7.862 -29.970 11.681 1.00 2.42 H new ATOM 0 HD21 LEU A 39 -9.267 -31.432 9.363 1.00 52.24 H new ATOM 0 HD22 LEU A 39 -8.298 -29.954 9.156 1.00 52.24 H new ATOM 0 HD23 LEU A 39 -7.908 -31.413 8.214 1.00 52.24 H new ATOM 632 N ARG A 40 -3.041 -30.870 9.068 1.00 2.33 N ATOM 633 CA ARG A 40 -2.035 -30.801 8.015 1.00 11.31 C ATOM 634 C ARG A 40 -1.062 -31.972 8.114 1.00 34.15 C ATOM 635 O ARG A 40 -0.810 -32.667 7.131 1.00 62.44 O ATOM 636 CB ARG A 40 -1.269 -29.479 8.098 1.00 21.20 C ATOM 637 CG ARG A 40 -0.566 -29.100 6.805 1.00 71.44 C ATOM 638 CD ARG A 40 -0.967 -27.709 6.340 1.00 61.13 C ATOM 639 NE ARG A 40 0.055 -27.100 5.493 1.00 51.52 N ATOM 640 CZ ARG A 40 1.182 -26.576 5.962 1.00 21.41 C ATOM 641 NH1 ARG A 40 1.431 -26.589 7.264 1.00 11.13 N ATOM 642 NH2 ARG A 40 2.063 -26.040 5.128 1.00 45.41 N ATOM 0 H ARG A 40 -3.145 -30.012 9.609 1.00 2.33 H new ATOM 0 HA ARG A 40 -2.547 -30.857 7.054 1.00 11.31 H new ATOM 0 HB2 ARG A 40 -1.962 -28.684 8.371 1.00 21.20 H new ATOM 0 HB3 ARG A 40 -0.531 -29.546 8.897 1.00 21.20 H new ATOM 0 HG2 ARG A 40 0.513 -29.139 6.952 1.00 71.44 H new ATOM 0 HG3 ARG A 40 -0.809 -29.828 6.031 1.00 71.44 H new ATOM 0 HD2 ARG A 40 -1.906 -27.767 5.790 1.00 61.13 H new ATOM 0 HD3 ARG A 40 -1.145 -27.074 7.208 1.00 61.13 H new ATOM 0 HE ARG A 40 -0.105 -27.076 4.486 1.00 51.52 H new ATOM 0 HH11 ARG A 40 0.757 -27.002 7.908 1.00 11.13 H new ATOM 0 HH12 ARG A 40 2.297 -26.186 7.622 1.00 11.13 H new ATOM 0 HH21 ARG A 40 1.875 -26.030 4.125 1.00 45.41 H new ATOM 0 HH22 ARG A 40 2.928 -25.638 5.489 1.00 45.41 H new ATOM 656 N SER A 41 -0.519 -32.184 9.309 1.00 34.01 N ATOM 657 CA SER A 41 0.429 -33.268 9.536 1.00 31.23 C ATOM 658 C SER A 41 -0.205 -34.620 9.221 1.00 51.55 C ATOM 659 O SER A 41 0.415 -35.477 8.590 1.00 74.20 O ATOM 660 CB SER A 41 0.921 -33.249 10.985 1.00 54.12 C ATOM 661 OG SER A 41 1.906 -34.244 11.202 1.00 32.03 O ATOM 0 H SER A 41 -0.720 -31.619 10.134 1.00 34.01 H new ATOM 0 HA SER A 41 1.278 -33.120 8.869 1.00 31.23 H new ATOM 0 HB2 SER A 41 1.333 -32.268 11.220 1.00 54.12 H new ATOM 0 HB3 SER A 41 0.081 -33.411 11.660 1.00 54.12 H new ATOM 0 HG SER A 41 2.205 -34.210 12.135 1.00 32.03 H new ATOM 667 N LEU A 42 -1.444 -34.802 9.663 1.00 32.32 N ATOM 668 CA LEU A 42 -2.164 -36.049 9.429 1.00 74.13 C ATOM 669 C LEU A 42 -2.382 -36.280 7.937 1.00 53.32 C ATOM 670 O LEU A 42 -2.170 -37.381 7.431 1.00 22.54 O ATOM 671 CB LEU A 42 -3.510 -36.028 10.155 1.00 14.11 C ATOM 672 CG LEU A 42 -4.530 -37.076 9.709 1.00 32.44 C ATOM 673 CD1 LEU A 42 -5.217 -37.699 10.915 1.00 72.12 C ATOM 674 CD2 LEU A 42 -5.555 -36.458 8.770 1.00 40.04 C ATOM 0 H LEU A 42 -1.971 -34.102 10.185 1.00 32.32 H new ATOM 0 HA LEU A 42 -1.560 -36.867 9.820 1.00 74.13 H new ATOM 0 HB2 LEU A 42 -3.327 -36.159 11.221 1.00 14.11 H new ATOM 0 HB3 LEU A 42 -3.954 -35.041 10.027 1.00 14.11 H new ATOM 0 HG LEU A 42 -4.002 -37.863 9.170 1.00 32.44 H new ATOM 0 HD11 LEU A 42 -5.940 -38.442 10.578 1.00 72.12 H new ATOM 0 HD12 LEU A 42 -4.472 -38.178 11.551 1.00 72.12 H new ATOM 0 HD13 LEU A 42 -5.732 -36.923 11.481 1.00 72.12 H new ATOM 0 HD21 LEU A 42 -6.273 -37.219 8.463 1.00 40.04 H new ATOM 0 HD22 LEU A 42 -6.079 -35.651 9.283 1.00 40.04 H new ATOM 0 HD23 LEU A 42 -5.049 -36.060 7.890 1.00 40.04 H new ATOM 686 N ALA A 43 -2.806 -35.232 7.237 1.00 64.20 N ATOM 687 CA ALA A 43 -3.048 -35.319 5.802 1.00 20.43 C ATOM 688 C ALA A 43 -1.818 -35.843 5.069 1.00 40.24 C ATOM 689 O ALA A 43 -1.880 -36.861 4.379 1.00 65.22 O ATOM 690 CB ALA A 43 -3.455 -33.960 5.252 1.00 25.32 C ATOM 0 H ALA A 43 -2.989 -34.313 7.641 1.00 64.20 H new ATOM 0 HA ALA A 43 -3.863 -36.023 5.638 1.00 20.43 H new ATOM 0 HB1 ALA A 43 -3.632 -34.040 4.180 1.00 25.32 H new ATOM 0 HB2 ALA A 43 -4.367 -33.625 5.747 1.00 25.32 H new ATOM 0 HB3 ALA A 43 -2.658 -33.240 5.435 1.00 25.32 H new ATOM 1082 N GLU A 67 -12.353 -40.412 -13.827 1.00 60.55 N ATOM 1083 CA GLU A 67 -12.028 -39.497 -14.915 1.00 14.11 C ATOM 1084 C GLU A 67 -12.669 -39.956 -16.222 1.00 4.21 C ATOM 1085 O GLU A 67 -13.266 -39.160 -16.947 1.00 35.31 O ATOM 1086 CB GLU A 67 -10.512 -39.391 -15.087 1.00 24.22 C ATOM 1087 CG GLU A 67 -9.889 -38.246 -14.306 1.00 50.34 C ATOM 1088 CD GLU A 67 -8.977 -37.386 -15.160 1.00 70.10 C ATOM 1089 OE1 GLU A 67 -8.345 -37.933 -16.088 1.00 4.02 O ATOM 1090 OE2 GLU A 67 -8.895 -36.167 -14.901 1.00 34.45 O ATOM 0 HA GLU A 67 -12.426 -38.515 -14.660 1.00 14.11 H new ATOM 0 HB2 GLU A 67 -10.053 -40.328 -14.771 1.00 24.22 H new ATOM 0 HB3 GLU A 67 -10.283 -39.265 -16.145 1.00 24.22 H new ATOM 0 HG2 GLU A 67 -10.680 -37.625 -13.886 1.00 50.34 H new ATOM 0 HG3 GLU A 67 -9.322 -38.649 -13.467 1.00 50.34 H new ATOM 1097 N LYS A 68 -12.538 -41.245 -16.517 1.00 13.20 N ATOM 1098 CA LYS A 68 -13.104 -41.812 -17.735 1.00 65.24 C ATOM 1099 C LYS A 68 -14.625 -41.882 -17.648 1.00 42.23 C ATOM 1100 O LYS A 68 -15.326 -41.542 -18.600 1.00 55.14 O ATOM 1101 CB LYS A 68 -12.532 -43.210 -17.985 1.00 2.34 C ATOM 1102 CG LYS A 68 -11.014 -43.249 -18.016 1.00 62.14 C ATOM 1103 CD LYS A 68 -10.502 -44.084 -19.179 1.00 1.55 C ATOM 1104 CE LYS A 68 -9.338 -43.404 -19.883 1.00 4.44 C ATOM 1105 NZ LYS A 68 -8.729 -44.281 -20.921 1.00 4.43 N ATOM 0 H LYS A 68 -12.045 -41.917 -15.929 1.00 13.20 H new ATOM 0 HA LYS A 68 -12.835 -41.161 -18.567 1.00 65.24 H new ATOM 0 HB2 LYS A 68 -12.889 -43.884 -17.206 1.00 2.34 H new ATOM 0 HB3 LYS A 68 -12.916 -43.587 -18.933 1.00 2.34 H new ATOM 0 HG2 LYS A 68 -10.624 -42.234 -18.096 1.00 62.14 H new ATOM 0 HG3 LYS A 68 -10.640 -43.661 -17.079 1.00 62.14 H new ATOM 0 HD2 LYS A 68 -10.187 -45.062 -18.815 1.00 1.55 H new ATOM 0 HD3 LYS A 68 -11.310 -44.253 -19.890 1.00 1.55 H new ATOM 0 HE2 LYS A 68 -9.683 -42.480 -20.346 1.00 4.44 H new ATOM 0 HE3 LYS A 68 -8.580 -43.129 -19.149 1.00 4.44 H new ATOM 0 HZ1 LYS A 68 -7.939 -43.782 -21.378 1.00 4.43 H new ATOM 0 HZ2 LYS A 68 -8.376 -45.152 -20.476 1.00 4.43 H new ATOM 0 HZ3 LYS A 68 -9.445 -44.523 -21.635 1.00 4.43 H new ATOM 1119 N ALA A 69 -15.128 -42.323 -16.500 1.00 63.20 N ATOM 1120 CA ALA A 69 -16.566 -42.434 -16.288 1.00 45.40 C ATOM 1121 C ALA A 69 -17.212 -41.057 -16.183 1.00 53.40 C ATOM 1122 O ALA A 69 -18.437 -40.933 -16.194 1.00 30.12 O ATOM 1123 CB ALA A 69 -16.853 -43.251 -15.037 1.00 54.23 C ATOM 0 H ALA A 69 -14.561 -42.609 -15.702 1.00 63.20 H new ATOM 0 HA ALA A 69 -16.998 -42.945 -17.149 1.00 45.40 H new ATOM 0 HB1 ALA A 69 -17.931 -43.326 -14.891 1.00 54.23 H new ATOM 0 HB2 ALA A 69 -16.432 -44.250 -15.150 1.00 54.23 H new ATOM 0 HB3 ALA A 69 -16.403 -42.763 -14.173 1.00 54.23 H new ATOM 1129 N SER A 70 -16.382 -40.024 -16.081 1.00 3.02 N ATOM 1130 CA SER A 70 -16.873 -38.656 -15.969 1.00 53.31 C ATOM 1131 C SER A 70 -16.554 -37.859 -17.231 1.00 32.14 C ATOM 1132 O SER A 70 -17.145 -36.808 -17.482 1.00 34.13 O ATOM 1133 CB SER A 70 -16.258 -37.968 -14.749 1.00 21.22 C ATOM 1134 OG SER A 70 -16.775 -38.507 -13.545 1.00 32.42 O ATOM 0 H SER A 70 -15.366 -40.109 -16.074 1.00 3.02 H new ATOM 0 HA SER A 70 -17.956 -38.694 -15.848 1.00 53.31 H new ATOM 0 HB2 SER A 70 -15.175 -38.087 -14.768 1.00 21.22 H new ATOM 0 HB3 SER A 70 -16.462 -36.898 -14.789 1.00 21.22 H new ATOM 0 HG SER A 70 -16.365 -38.052 -12.780 1.00 32.42 H new ATOM 1140 N LEU A 71 -15.615 -38.367 -18.021 1.00 52.23 N ATOM 1141 CA LEU A 71 -15.216 -37.704 -19.258 1.00 23.00 C ATOM 1142 C LEU A 71 -15.625 -38.528 -20.474 1.00 73.23 C ATOM 1143 O LEU A 71 -15.357 -38.148 -21.615 1.00 30.52 O ATOM 1144 CB LEU A 71 -13.704 -37.472 -19.270 1.00 62.32 C ATOM 1145 CG LEU A 71 -13.166 -36.493 -18.226 1.00 54.34 C ATOM 1146 CD1 LEU A 71 -12.152 -35.549 -18.853 1.00 0.52 C ATOM 1147 CD2 LEU A 71 -14.307 -35.709 -17.593 1.00 60.22 C ATOM 0 H LEU A 71 -15.116 -39.235 -17.828 1.00 52.23 H new ATOM 0 HA LEU A 71 -15.726 -36.742 -19.306 1.00 23.00 H new ATOM 0 HB2 LEU A 71 -13.208 -38.432 -19.128 1.00 62.32 H new ATOM 0 HB3 LEU A 71 -13.420 -37.110 -20.258 1.00 62.32 H new ATOM 0 HG LEU A 71 -12.665 -37.064 -17.444 1.00 54.34 H new ATOM 0 HD11 LEU A 71 -11.780 -34.859 -18.095 1.00 0.52 H new ATOM 0 HD12 LEU A 71 -11.321 -36.125 -19.259 1.00 0.52 H new ATOM 0 HD13 LEU A 71 -12.628 -34.985 -19.655 1.00 0.52 H new ATOM 0 HD21 LEU A 71 -13.906 -35.017 -16.852 1.00 60.22 H new ATOM 0 HD22 LEU A 71 -14.835 -35.149 -18.364 1.00 60.22 H new ATOM 0 HD23 LEU A 71 -14.998 -36.399 -17.108 1.00 60.22 H new ATOM 1159 N THR A 72 -16.279 -39.659 -20.224 1.00 40.52 N ATOM 1160 CA THR A 72 -16.727 -40.536 -21.298 1.00 61.11 C ATOM 1161 C THR A 72 -17.451 -39.750 -22.385 1.00 11.22 C ATOM 1162 O THR A 72 -17.418 -40.119 -23.558 1.00 33.43 O ATOM 1163 CB THR A 72 -17.662 -41.639 -20.769 1.00 35.43 C ATOM 1164 OG1 THR A 72 -18.171 -41.274 -19.481 1.00 31.10 O ATOM 1165 CG2 THR A 72 -16.930 -42.969 -20.672 1.00 33.32 C ATOM 0 H THR A 72 -16.510 -39.988 -19.287 1.00 40.52 H new ATOM 0 HA THR A 72 -15.835 -40.998 -21.721 1.00 61.11 H new ATOM 0 HB THR A 72 -18.490 -41.749 -21.469 1.00 35.43 H new ATOM 0 HG1 THR A 72 -17.533 -41.545 -18.788 1.00 31.10 H new ATOM 0 HG21 THR A 72 -17.611 -43.733 -20.296 1.00 33.32 H new ATOM 0 HG22 THR A 72 -16.569 -43.259 -21.659 1.00 33.32 H new ATOM 0 HG23 THR A 72 -16.084 -42.870 -19.991 1.00 33.32 H new ATOM 1173 N ASN A 73 -18.104 -38.663 -21.987 1.00 12.23 N ATOM 1174 CA ASN A 73 -18.837 -37.824 -22.928 1.00 42.30 C ATOM 1175 C ASN A 73 -18.988 -36.405 -22.388 1.00 52.21 C ATOM 1176 O ASN A 73 -19.911 -35.681 -22.765 1.00 3.54 O ATOM 1177 CB ASN A 73 -20.216 -38.423 -23.212 1.00 25.23 C ATOM 1178 CG ASN A 73 -20.554 -39.565 -22.273 1.00 23.20 C ATOM 1179 OD1 ASN A 73 -20.211 -40.719 -22.532 1.00 44.21 O ATOM 1180 ND2 ASN A 73 -21.230 -39.248 -21.175 1.00 54.13 N ATOM 0 H ASN A 73 -18.140 -38.343 -21.019 1.00 12.23 H new ATOM 0 HA ASN A 73 -18.269 -37.782 -23.857 1.00 42.30 H new ATOM 0 HB2 ASN A 73 -20.973 -37.644 -23.120 1.00 25.23 H new ATOM 0 HB3 ASN A 73 -20.249 -38.780 -24.241 1.00 25.23 H new ATOM 0 HD21 ASN A 73 -21.486 -39.974 -20.506 1.00 54.13 H new ATOM 0 HD22 ASN A 73 -21.494 -38.278 -21.001 1.00 54.13 H new ATOM 1187 N LEU A 74 -18.077 -36.014 -21.504 1.00 43.35 N ATOM 1188 CA LEU A 74 -18.108 -34.681 -20.912 1.00 45.34 C ATOM 1189 C LEU A 74 -16.876 -33.876 -21.317 1.00 73.43 C ATOM 1190 O LEU A 74 -16.369 -33.064 -20.543 1.00 52.00 O ATOM 1191 CB LEU A 74 -18.187 -34.780 -19.388 1.00 54.01 C ATOM 1192 CG LEU A 74 -19.304 -35.663 -18.831 1.00 31.34 C ATOM 1193 CD1 LEU A 74 -19.611 -35.289 -17.389 1.00 31.22 C ATOM 1194 CD2 LEU A 74 -20.554 -35.549 -19.691 1.00 31.21 C ATOM 0 H LEU A 74 -17.308 -36.601 -21.181 1.00 43.35 H new ATOM 0 HA LEU A 74 -18.994 -34.166 -21.283 1.00 45.34 H new ATOM 0 HB2 LEU A 74 -17.234 -35.158 -19.018 1.00 54.01 H new ATOM 0 HB3 LEU A 74 -18.310 -33.775 -18.984 1.00 54.01 H new ATOM 0 HG LEU A 74 -18.966 -36.699 -18.852 1.00 31.34 H new ATOM 0 HD11 LEU A 74 -20.408 -35.928 -17.009 1.00 31.22 H new ATOM 0 HD12 LEU A 74 -18.717 -35.424 -16.780 1.00 31.22 H new ATOM 0 HD13 LEU A 74 -19.928 -34.247 -17.343 1.00 31.22 H new ATOM 0 HD21 LEU A 74 -21.338 -36.184 -19.279 1.00 31.21 H new ATOM 0 HD22 LEU A 74 -20.895 -34.514 -19.703 1.00 31.21 H new ATOM 0 HD23 LEU A 74 -20.326 -35.867 -20.708 1.00 31.21 H new ATOM 1206 N THR A 75 -16.400 -34.106 -22.537 1.00 73.32 N ATOM 1207 CA THR A 75 -15.230 -33.403 -23.046 1.00 4.02 C ATOM 1208 C THR A 75 -14.847 -33.904 -24.433 1.00 62.55 C ATOM 1209 O THR A 75 -14.888 -35.101 -24.721 1.00 22.03 O ATOM 1210 CB THR A 75 -14.023 -33.566 -22.103 1.00 3.44 C ATOM 1211 OG1 THR A 75 -14.279 -34.608 -21.155 1.00 65.31 O ATOM 1212 CG2 THR A 75 -13.731 -32.266 -21.368 1.00 13.13 C ATOM 0 H THR A 75 -16.808 -34.774 -23.191 1.00 73.32 H new ATOM 0 HA THR A 75 -15.497 -32.348 -23.105 1.00 4.02 H new ATOM 0 HB THR A 75 -13.153 -33.828 -22.705 1.00 3.44 H new ATOM 0 HG1 THR A 75 -14.276 -35.475 -21.613 1.00 65.31 H new ATOM 0 HG21 THR A 75 -12.875 -32.406 -20.708 1.00 13.13 H new ATOM 0 HG22 THR A 75 -13.508 -31.481 -22.091 1.00 13.13 H new ATOM 0 HG23 THR A 75 -14.601 -31.978 -20.778 1.00 13.13 H new ATOM 1220 N PRO A 76 -14.464 -32.970 -25.317 1.00 35.14 N ATOM 1221 CA PRO A 76 -14.065 -33.295 -26.689 1.00 54.53 C ATOM 1222 C PRO A 76 -12.733 -34.034 -26.746 1.00 41.33 C ATOM 1223 O PRO A 76 -12.511 -34.864 -27.627 1.00 31.01 O ATOM 1224 CB PRO A 76 -13.945 -31.923 -27.357 1.00 43.53 C ATOM 1225 CG PRO A 76 -13.661 -30.980 -26.239 1.00 21.32 C ATOM 1226 CD PRO A 76 -14.392 -31.525 -25.043 1.00 22.11 C ATOM 0 HA PRO A 76 -14.779 -33.960 -27.175 1.00 54.53 H new ATOM 0 HB2 PRO A 76 -13.145 -31.912 -28.097 1.00 43.53 H new ATOM 0 HB3 PRO A 76 -14.864 -31.654 -27.877 1.00 43.53 H new ATOM 0 HG2 PRO A 76 -12.590 -30.915 -26.046 1.00 21.32 H new ATOM 0 HG3 PRO A 76 -14.003 -29.974 -26.481 1.00 21.32 H new ATOM 0 HD2 PRO A 76 -13.857 -31.318 -24.116 1.00 22.11 H new ATOM 0 HD3 PRO A 76 -15.384 -31.085 -24.943 1.00 22.11 H new ATOM 1234 N GLU A 77 -11.850 -33.726 -25.801 1.00 62.33 N ATOM 1235 CA GLU A 77 -10.539 -34.362 -25.746 1.00 21.53 C ATOM 1236 C GLU A 77 -10.668 -35.882 -25.809 1.00 52.31 C ATOM 1237 O GLU A 77 -10.076 -36.531 -26.672 1.00 23.22 O ATOM 1238 CB GLU A 77 -9.804 -33.955 -24.467 1.00 64.22 C ATOM 1239 CG GLU A 77 -8.702 -32.934 -24.697 1.00 54.14 C ATOM 1240 CD GLU A 77 -8.359 -32.153 -23.444 1.00 35.04 C ATOM 1241 OE1 GLU A 77 -9.039 -32.353 -22.415 1.00 41.32 O ATOM 1242 OE2 GLU A 77 -7.411 -31.342 -23.491 1.00 62.14 O ATOM 0 H GLU A 77 -12.018 -33.041 -25.064 1.00 62.33 H new ATOM 0 HA GLU A 77 -9.965 -34.027 -26.610 1.00 21.53 H new ATOM 0 HB2 GLU A 77 -10.524 -33.546 -23.758 1.00 64.22 H new ATOM 0 HB3 GLU A 77 -9.374 -34.844 -24.007 1.00 64.22 H new ATOM 0 HG2 GLU A 77 -7.809 -33.444 -25.058 1.00 54.14 H new ATOM 0 HG3 GLU A 77 -9.012 -32.241 -25.479 1.00 54.14 H new ATOM 1249 N LEU A 78 -11.446 -36.442 -24.890 1.00 12.04 N ATOM 1250 CA LEU A 78 -11.654 -37.885 -24.839 1.00 61.14 C ATOM 1251 C LEU A 78 -12.142 -38.412 -26.185 1.00 65.21 C ATOM 1252 O LEU A 78 -11.527 -39.300 -26.776 1.00 62.32 O ATOM 1253 CB LEU A 78 -12.663 -38.237 -23.745 1.00 21.20 C ATOM 1254 CG LEU A 78 -12.107 -38.329 -22.324 1.00 2.14 C ATOM 1255 CD1 LEU A 78 -11.088 -39.454 -22.220 1.00 53.45 C ATOM 1256 CD2 LEU A 78 -11.485 -37.004 -21.908 1.00 2.23 C ATOM 0 H LEU A 78 -11.944 -35.919 -24.170 1.00 12.04 H new ATOM 0 HA LEU A 78 -10.699 -38.357 -24.609 1.00 61.14 H new ATOM 0 HB2 LEU A 78 -13.456 -37.489 -23.756 1.00 21.20 H new ATOM 0 HB3 LEU A 78 -13.123 -39.193 -23.996 1.00 21.20 H new ATOM 0 HG LEU A 78 -12.931 -38.550 -21.646 1.00 2.14 H new ATOM 0 HD11 LEU A 78 -10.704 -39.504 -21.201 1.00 53.45 H new ATOM 0 HD12 LEU A 78 -11.564 -40.401 -22.475 1.00 53.45 H new ATOM 0 HD13 LEU A 78 -10.265 -39.265 -22.909 1.00 53.45 H new ATOM 0 HD21 LEU A 78 -11.094 -37.088 -20.894 1.00 2.23 H new ATOM 0 HD22 LEU A 78 -10.673 -36.753 -22.590 1.00 2.23 H new ATOM 0 HD23 LEU A 78 -12.242 -36.220 -21.942 1.00 2.23 H new ATOM 1268 N LYS A 79 -13.249 -37.858 -26.666 1.00 13.33 N ATOM 1269 CA LYS A 79 -13.819 -38.268 -27.944 1.00 22.34 C ATOM 1270 C LYS A 79 -12.735 -38.384 -29.010 1.00 64.52 C ATOM 1271 O LYS A 79 -12.741 -39.315 -29.816 1.00 3.40 O ATOM 1272 CB LYS A 79 -14.887 -37.269 -28.394 1.00 30.22 C ATOM 1273 CG LYS A 79 -16.274 -37.578 -27.856 1.00 4.20 C ATOM 1274 CD LYS A 79 -17.352 -36.862 -28.651 1.00 53.32 C ATOM 1275 CE LYS A 79 -17.578 -35.448 -28.137 1.00 43.04 C ATOM 1276 NZ LYS A 79 -17.667 -34.461 -29.249 1.00 75.43 N ATOM 0 H LYS A 79 -13.771 -37.122 -26.189 1.00 13.33 H new ATOM 0 HA LYS A 79 -14.280 -39.247 -27.811 1.00 22.34 H new ATOM 0 HB2 LYS A 79 -14.596 -36.269 -28.072 1.00 30.22 H new ATOM 0 HB3 LYS A 79 -14.924 -37.255 -29.483 1.00 30.22 H new ATOM 0 HG2 LYS A 79 -16.448 -38.653 -27.892 1.00 4.20 H new ATOM 0 HG3 LYS A 79 -16.334 -37.280 -26.809 1.00 4.20 H new ATOM 0 HD2 LYS A 79 -17.067 -36.827 -29.703 1.00 53.32 H new ATOM 0 HD3 LYS A 79 -18.284 -37.425 -28.592 1.00 53.32 H new ATOM 0 HE2 LYS A 79 -18.496 -35.417 -27.550 1.00 43.04 H new ATOM 0 HE3 LYS A 79 -16.763 -35.170 -27.469 1.00 43.04 H new ATOM 0 HZ1 LYS A 79 -17.821 -33.510 -28.857 1.00 75.43 H new ATOM 0 HZ2 LYS A 79 -16.781 -34.472 -29.794 1.00 75.43 H new ATOM 0 HZ3 LYS A 79 -18.461 -34.711 -29.873 1.00 75.43 H new ATOM 1290 N ALA A 80 -11.805 -37.435 -29.008 1.00 65.20 N ATOM 1291 CA ALA A 80 -10.712 -37.434 -29.973 1.00 52.42 C ATOM 1292 C ALA A 80 -9.765 -38.605 -29.733 1.00 15.44 C ATOM 1293 O ALA A 80 -9.362 -39.292 -30.671 1.00 1.23 O ATOM 1294 CB ALA A 80 -9.953 -36.117 -29.909 1.00 10.31 C ATOM 0 H ALA A 80 -11.786 -36.657 -28.349 1.00 65.20 H new ATOM 0 HA ALA A 80 -11.140 -37.546 -30.969 1.00 52.42 H new ATOM 0 HB1 ALA A 80 -9.140 -36.130 -30.635 1.00 10.31 H new ATOM 0 HB2 ALA A 80 -10.631 -35.295 -30.138 1.00 10.31 H new ATOM 0 HB3 ALA A 80 -9.544 -35.981 -28.908 1.00 10.31 H new ATOM 1300 N SER A 81 -9.414 -38.826 -28.470 1.00 11.21 N ATOM 1301 CA SER A 81 -8.511 -39.911 -28.107 1.00 24.22 C ATOM 1302 C SER A 81 -9.124 -41.266 -28.448 1.00 51.22 C ATOM 1303 O SER A 81 -8.484 -42.109 -29.075 1.00 65.00 O ATOM 1304 CB SER A 81 -8.180 -39.850 -26.614 1.00 62.13 C ATOM 1305 OG SER A 81 -7.113 -38.951 -26.365 1.00 21.41 O ATOM 0 H SER A 81 -9.741 -38.268 -27.681 1.00 11.21 H new ATOM 0 HA SER A 81 -7.592 -39.793 -28.681 1.00 24.22 H new ATOM 0 HB2 SER A 81 -9.062 -39.537 -26.055 1.00 62.13 H new ATOM 0 HB3 SER A 81 -7.913 -40.844 -26.256 1.00 62.13 H new ATOM 0 HG SER A 81 -6.922 -38.928 -25.404 1.00 21.41 H new ATOM 1311 N MET A 82 -10.370 -41.466 -28.031 1.00 22.24 N ATOM 1312 CA MET A 82 -11.071 -42.718 -28.293 1.00 12.43 C ATOM 1313 C MET A 82 -11.255 -42.934 -29.791 1.00 64.35 C ATOM 1314 O MET A 82 -11.116 -44.052 -30.288 1.00 63.31 O ATOM 1315 CB MET A 82 -12.433 -42.720 -27.595 1.00 4.12 C ATOM 1316 CG MET A 82 -12.379 -42.232 -26.156 1.00 62.50 C ATOM 1317 SD MET A 82 -13.145 -43.387 -25.002 1.00 71.04 S ATOM 1318 CE MET A 82 -11.758 -44.453 -24.619 1.00 21.22 C ATOM 0 H MET A 82 -10.915 -40.778 -27.511 1.00 22.24 H new ATOM 0 HA MET A 82 -10.466 -43.534 -27.897 1.00 12.43 H new ATOM 0 HB2 MET A 82 -13.122 -42.090 -28.158 1.00 4.12 H new ATOM 0 HB3 MET A 82 -12.839 -43.731 -27.612 1.00 4.12 H new ATOM 0 HG2 MET A 82 -11.340 -42.073 -25.869 1.00 62.50 H new ATOM 0 HG3 MET A 82 -12.880 -41.267 -26.085 1.00 62.50 H new ATOM 0 HE1 MET A 82 -12.074 -45.222 -23.914 1.00 21.22 H new ATOM 0 HE2 MET A 82 -11.398 -44.925 -25.533 1.00 21.22 H new ATOM 0 HE3 MET A 82 -10.956 -43.862 -24.176 1.00 21.22 H new ATOM 1328 N ASP A 83 -11.567 -41.859 -30.506 1.00 75.21 N ATOM 1329 CA ASP A 83 -11.769 -41.932 -31.949 1.00 12.04 C ATOM 1330 C ASP A 83 -10.496 -42.389 -32.653 1.00 22.50 C ATOM 1331 O ASP A 83 -10.538 -43.241 -33.540 1.00 72.21 O ATOM 1332 CB ASP A 83 -12.207 -40.572 -32.493 1.00 54.51 C ATOM 1333 CG ASP A 83 -12.633 -40.640 -33.947 1.00 13.55 C ATOM 1334 OD1 ASP A 83 -13.749 -41.131 -34.215 1.00 13.11 O ATOM 1335 OD2 ASP A 83 -11.850 -40.202 -34.816 1.00 31.13 O ATOM 0 H ASP A 83 -11.686 -40.926 -30.110 1.00 75.21 H new ATOM 0 HA ASP A 83 -12.554 -42.663 -32.145 1.00 12.04 H new ATOM 0 HB2 ASP A 83 -13.034 -40.193 -31.892 1.00 54.51 H new ATOM 0 HB3 ASP A 83 -11.387 -39.862 -32.391 1.00 54.51 H new ATOM 1340 N GLU A 84 -9.365 -41.817 -32.252 1.00 11.22 N ATOM 1341 CA GLU A 84 -8.080 -42.165 -32.847 1.00 32.23 C ATOM 1342 C GLU A 84 -7.681 -43.592 -32.482 1.00 61.21 C ATOM 1343 O GLU A 84 -7.089 -44.309 -33.290 1.00 73.23 O ATOM 1344 CB GLU A 84 -6.998 -41.187 -32.385 1.00 65.33 C ATOM 1345 CG GLU A 84 -6.861 -39.965 -33.277 1.00 52.14 C ATOM 1346 CD GLU A 84 -5.424 -39.690 -33.674 1.00 41.33 C ATOM 1347 OE1 GLU A 84 -4.537 -39.789 -32.801 1.00 12.22 O ATOM 1348 OE2 GLU A 84 -5.186 -39.375 -34.859 1.00 72.34 O ATOM 0 H GLU A 84 -9.313 -41.111 -31.518 1.00 11.22 H new ATOM 0 HA GLU A 84 -8.180 -42.100 -33.930 1.00 32.23 H new ATOM 0 HB2 GLU A 84 -7.224 -40.862 -31.370 1.00 65.33 H new ATOM 0 HB3 GLU A 84 -6.041 -41.708 -32.347 1.00 65.33 H new ATOM 0 HG2 GLU A 84 -7.461 -40.107 -34.176 1.00 52.14 H new ATOM 0 HG3 GLU A 84 -7.264 -39.095 -32.759 1.00 52.14 H new ATOM 1355 N LEU A 85 -8.008 -43.998 -31.260 1.00 42.41 N ATOM 1356 CA LEU A 85 -7.683 -45.339 -30.787 1.00 14.24 C ATOM 1357 C LEU A 85 -8.581 -46.381 -31.446 1.00 40.01 C ATOM 1358 O LEU A 85 -8.162 -47.513 -31.686 1.00 65.21 O ATOM 1359 CB LEU A 85 -7.829 -45.413 -29.266 1.00 23.14 C ATOM 1360 CG LEU A 85 -6.542 -45.237 -28.459 1.00 64.11 C ATOM 1361 CD1 LEU A 85 -6.293 -43.766 -28.165 1.00 42.11 C ATOM 1362 CD2 LEU A 85 -6.609 -46.037 -27.166 1.00 63.24 C ATOM 0 H LEU A 85 -8.498 -43.418 -30.579 1.00 42.41 H new ATOM 0 HA LEU A 85 -6.649 -45.553 -31.058 1.00 14.24 H new ATOM 0 HB2 LEU A 85 -8.539 -44.648 -28.952 1.00 23.14 H new ATOM 0 HB3 LEU A 85 -8.266 -46.378 -29.009 1.00 23.14 H new ATOM 0 HG LEU A 85 -5.709 -45.614 -29.053 1.00 64.11 H new ATOM 0 HD11 LEU A 85 -5.373 -43.661 -27.590 1.00 42.11 H new ATOM 0 HD12 LEU A 85 -6.200 -43.218 -29.103 1.00 42.11 H new ATOM 0 HD13 LEU A 85 -7.128 -43.363 -27.591 1.00 42.11 H new ATOM 0 HD21 LEU A 85 -5.685 -45.900 -26.605 1.00 63.24 H new ATOM 0 HD22 LEU A 85 -7.452 -45.691 -26.567 1.00 63.24 H new ATOM 0 HD23 LEU A 85 -6.739 -47.094 -27.398 1.00 63.24 H new ATOM 1374 N ARG A 86 -9.817 -45.990 -31.738 1.00 51.03 N ATOM 1375 CA ARG A 86 -10.774 -46.890 -32.371 1.00 64.02 C ATOM 1376 C ARG A 86 -10.410 -47.129 -33.834 1.00 23.03 C ATOM 1377 O ARG A 86 -10.302 -48.272 -34.277 1.00 4.02 O ATOM 1378 CB ARG A 86 -12.188 -46.316 -32.274 1.00 11.22 C ATOM 1379 CG ARG A 86 -13.274 -47.378 -32.218 1.00 11.32 C ATOM 1380 CD ARG A 86 -14.231 -47.136 -31.061 1.00 3.13 C ATOM 1381 NE ARG A 86 -15.627 -47.205 -31.482 1.00 34.14 N ATOM 1382 CZ ARG A 86 -16.636 -47.429 -30.647 1.00 12.11 C ATOM 1383 NH1 ARG A 86 -16.404 -47.604 -29.353 1.00 54.42 N ATOM 1384 NH2 ARG A 86 -17.880 -47.478 -31.106 1.00 13.42 N ATOM 0 H ARG A 86 -10.179 -45.056 -31.546 1.00 51.03 H new ATOM 0 HA ARG A 86 -10.740 -47.844 -31.845 1.00 64.02 H new ATOM 0 HB2 ARG A 86 -12.257 -45.691 -31.384 1.00 11.22 H new ATOM 0 HB3 ARG A 86 -12.368 -45.669 -33.133 1.00 11.22 H new ATOM 0 HG2 ARG A 86 -13.829 -47.382 -33.156 1.00 11.32 H new ATOM 0 HG3 ARG A 86 -12.817 -48.362 -32.114 1.00 11.32 H new ATOM 0 HD2 ARG A 86 -14.051 -47.875 -30.281 1.00 3.13 H new ATOM 0 HD3 ARG A 86 -14.032 -46.157 -30.625 1.00 3.13 H new ATOM 0 HE ARG A 86 -15.839 -47.074 -32.471 1.00 34.14 H new ATOM 0 HH11 ARG A 86 -15.449 -47.567 -28.996 1.00 54.42 H new ATOM 0 HH12 ARG A 86 -17.181 -47.776 -28.714 1.00 54.42 H new ATOM 0 HH21 ARG A 86 -18.062 -47.344 -32.101 1.00 13.42 H new ATOM 0 HH22 ARG A 86 -18.654 -47.650 -30.464 1.00 13.42 H new ATOM 1398 N GLN A 87 -10.223 -46.043 -34.577 1.00 1.03 N ATOM 1399 CA GLN A 87 -9.873 -46.135 -35.989 1.00 64.31 C ATOM 1400 C GLN A 87 -8.514 -46.803 -36.170 1.00 64.53 C ATOM 1401 O GLN A 87 -8.330 -47.626 -37.067 1.00 72.01 O ATOM 1402 CB GLN A 87 -9.859 -44.744 -36.625 1.00 20.11 C ATOM 1403 CG GLN A 87 -11.182 -44.006 -36.501 1.00 1.41 C ATOM 1404 CD GLN A 87 -11.750 -43.596 -37.845 1.00 60.24 C ATOM 1405 OE1 GLN A 87 -11.763 -44.383 -38.793 1.00 3.04 O ATOM 1406 NE2 GLN A 87 -12.224 -42.359 -37.936 1.00 72.22 N ATOM 0 H GLN A 87 -10.308 -45.090 -34.225 1.00 1.03 H new ATOM 0 HA GLN A 87 -10.627 -46.746 -36.485 1.00 64.31 H new ATOM 0 HB2 GLN A 87 -9.075 -44.148 -36.158 1.00 20.11 H new ATOM 0 HB3 GLN A 87 -9.602 -44.838 -37.680 1.00 20.11 H new ATOM 0 HG2 GLN A 87 -11.902 -44.642 -35.986 1.00 1.41 H new ATOM 0 HG3 GLN A 87 -11.042 -43.118 -35.884 1.00 1.41 H new ATOM 0 HE21 GLN A 87 -12.193 -41.740 -37.126 1.00 72.22 H new ATOM 0 HE22 GLN A 87 -12.619 -42.028 -38.816 1.00 72.22 H new ATOM 1415 N ALA A 88 -7.564 -46.444 -35.313 1.00 41.31 N ATOM 1416 CA ALA A 88 -6.222 -47.010 -35.378 1.00 12.32 C ATOM 1417 C ALA A 88 -6.236 -48.495 -35.032 1.00 5.32 C ATOM 1418 O ALA A 88 -5.601 -49.305 -35.707 1.00 2.43 O ATOM 1419 CB ALA A 88 -5.286 -46.257 -34.444 1.00 51.42 C ATOM 0 H ALA A 88 -7.699 -45.764 -34.565 1.00 41.31 H new ATOM 0 HA ALA A 88 -5.859 -46.905 -36.400 1.00 12.32 H new ATOM 0 HB1 ALA A 88 -4.287 -46.690 -34.503 1.00 51.42 H new ATOM 0 HB2 ALA A 88 -5.244 -45.208 -34.738 1.00 51.42 H new ATOM 0 HB3 ALA A 88 -5.655 -46.332 -33.421 1.00 51.42 H new ATOM 1425 N ALA A 89 -6.962 -48.845 -33.976 1.00 12.04 N ATOM 1426 CA ALA A 89 -7.059 -50.233 -33.541 1.00 42.01 C ATOM 1427 C ALA A 89 -7.849 -51.068 -34.543 1.00 32.03 C ATOM 1428 O ALA A 89 -7.477 -52.200 -34.851 1.00 10.41 O ATOM 1429 CB ALA A 89 -7.700 -50.311 -32.163 1.00 62.34 C ATOM 0 H ALA A 89 -7.492 -48.186 -33.405 1.00 12.04 H new ATOM 0 HA ALA A 89 -6.050 -50.641 -33.483 1.00 42.01 H new ATOM 0 HB1 ALA A 89 -7.766 -51.353 -31.851 1.00 62.34 H new ATOM 0 HB2 ALA A 89 -7.093 -49.756 -31.448 1.00 62.34 H new ATOM 0 HB3 ALA A 89 -8.700 -49.880 -32.202 1.00 62.34 H new ATOM 1435 N GLU A 90 -8.942 -50.502 -35.046 1.00 63.24 N ATOM 1436 CA GLU A 90 -9.785 -51.197 -36.012 1.00 42.23 C ATOM 1437 C GLU A 90 -9.070 -51.343 -37.353 1.00 11.33 C ATOM 1438 O GLU A 90 -9.084 -52.412 -37.962 1.00 42.14 O ATOM 1439 CB GLU A 90 -11.104 -50.446 -36.204 1.00 40.33 C ATOM 1440 CG GLU A 90 -12.157 -50.789 -35.164 1.00 61.01 C ATOM 1441 CD GLU A 90 -13.333 -49.832 -35.186 1.00 61.04 C ATOM 1442 OE1 GLU A 90 -13.109 -48.623 -35.407 1.00 71.20 O ATOM 1443 OE2 GLU A 90 -14.476 -50.291 -34.983 1.00 71.12 O ATOM 0 H GLU A 90 -9.264 -49.566 -34.801 1.00 63.24 H new ATOM 0 HA GLU A 90 -9.995 -52.193 -35.622 1.00 42.23 H new ATOM 0 HB2 GLU A 90 -10.910 -49.374 -36.172 1.00 40.33 H new ATOM 0 HB3 GLU A 90 -11.498 -50.669 -37.195 1.00 40.33 H new ATOM 0 HG2 GLU A 90 -12.516 -51.804 -35.337 1.00 61.01 H new ATOM 0 HG3 GLU A 90 -11.702 -50.776 -34.174 1.00 61.01 H new ATOM 1450 N SER A 91 -8.447 -50.259 -37.805 1.00 60.43 N ATOM 1451 CA SER A 91 -7.730 -50.264 -39.075 1.00 73.43 C ATOM 1452 C SER A 91 -6.591 -51.279 -39.052 1.00 74.24 C ATOM 1453 O SER A 91 -6.391 -52.025 -40.011 1.00 2.24 O ATOM 1454 CB SER A 91 -7.180 -48.870 -39.380 1.00 1.21 C ATOM 1455 OG SER A 91 -6.143 -48.523 -38.478 1.00 51.34 O ATOM 0 H SER A 91 -8.424 -49.367 -37.311 1.00 60.43 H new ATOM 0 HA SER A 91 -8.432 -50.549 -39.859 1.00 73.43 H new ATOM 0 HB2 SER A 91 -6.803 -48.840 -40.402 1.00 1.21 H new ATOM 0 HB3 SER A 91 -7.983 -48.136 -39.315 1.00 1.21 H new ATOM 0 HG SER A 91 -5.807 -47.628 -38.694 1.00 51.34 H new ATOM 1461 N MET A 92 -5.849 -51.301 -37.951 1.00 4.25 N ATOM 1462 CA MET A 92 -4.730 -52.225 -37.801 1.00 51.44 C ATOM 1463 C MET A 92 -5.224 -53.665 -37.706 1.00 44.14 C ATOM 1464 O MET A 92 -4.681 -54.562 -38.352 1.00 40.11 O ATOM 1465 CB MET A 92 -3.911 -51.871 -36.559 1.00 0.14 C ATOM 1466 CG MET A 92 -2.681 -51.030 -36.861 1.00 21.44 C ATOM 1467 SD MET A 92 -1.537 -50.949 -35.469 1.00 43.14 S ATOM 1468 CE MET A 92 -2.670 -50.644 -34.116 1.00 71.24 C ATOM 0 H MET A 92 -6.002 -50.690 -37.149 1.00 4.25 H new ATOM 0 HA MET A 92 -4.095 -52.134 -38.683 1.00 51.44 H new ATOM 0 HB2 MET A 92 -4.546 -51.331 -35.857 1.00 0.14 H new ATOM 0 HB3 MET A 92 -3.599 -52.791 -36.065 1.00 0.14 H new ATOM 0 HG2 MET A 92 -2.165 -51.445 -37.727 1.00 21.44 H new ATOM 0 HG3 MET A 92 -2.993 -50.021 -37.130 1.00 21.44 H new ATOM 0 HE1 MET A 92 -2.118 -50.257 -33.260 1.00 71.24 H new ATOM 0 HE2 MET A 92 -3.418 -49.915 -34.426 1.00 71.24 H new ATOM 0 HE3 MET A 92 -3.164 -51.575 -33.838 1.00 71.24 H new ATOM 1478 N LYS A 93 -6.255 -53.880 -36.897 1.00 53.02 N ATOM 1479 CA LYS A 93 -6.823 -55.211 -36.718 1.00 11.11 C ATOM 1480 C LYS A 93 -7.542 -55.671 -37.982 1.00 42.33 C ATOM 1481 O LYS A 93 -7.752 -56.866 -38.188 1.00 62.22 O ATOM 1482 CB LYS A 93 -7.794 -55.218 -35.535 1.00 73.42 C ATOM 1483 CG LYS A 93 -9.231 -54.921 -35.926 1.00 54.14 C ATOM 1484 CD LYS A 93 -10.012 -56.197 -36.194 1.00 41.25 C ATOM 1485 CE LYS A 93 -11.473 -56.050 -35.798 1.00 21.22 C ATOM 1486 NZ LYS A 93 -12.178 -55.045 -36.640 1.00 72.13 N ATOM 0 H LYS A 93 -6.715 -53.149 -36.354 1.00 53.02 H new ATOM 0 HA LYS A 93 -6.006 -55.903 -36.514 1.00 11.11 H new ATOM 0 HB2 LYS A 93 -7.753 -56.192 -35.048 1.00 73.42 H new ATOM 0 HB3 LYS A 93 -7.466 -54.481 -34.802 1.00 73.42 H new ATOM 0 HG2 LYS A 93 -9.716 -54.357 -35.130 1.00 54.14 H new ATOM 0 HG3 LYS A 93 -9.244 -54.292 -36.816 1.00 54.14 H new ATOM 0 HD2 LYS A 93 -9.944 -56.451 -37.252 1.00 41.25 H new ATOM 0 HD3 LYS A 93 -9.565 -57.022 -35.639 1.00 41.25 H new ATOM 0 HE2 LYS A 93 -11.973 -57.014 -35.889 1.00 21.22 H new ATOM 0 HE3 LYS A 93 -11.537 -55.755 -34.751 1.00 21.22 H new ATOM 0 HZ1 LYS A 93 -13.179 -54.999 -36.361 1.00 72.13 H new ATOM 0 HZ2 LYS A 93 -11.738 -54.112 -36.508 1.00 72.13 H new ATOM 0 HZ3 LYS A 93 -12.110 -55.321 -37.640 1.00 72.13 H new ATOM 1500 N ARG A 94 -7.915 -54.714 -38.826 1.00 72.33 N ATOM 1501 CA ARG A 94 -8.610 -55.022 -40.071 1.00 1.14 C ATOM 1502 C ARG A 94 -7.620 -55.421 -41.161 1.00 74.43 C ATOM 1503 O ARG A 94 -7.906 -56.291 -41.984 1.00 70.31 O ATOM 1504 CB ARG A 94 -9.434 -53.818 -40.531 1.00 3.24 C ATOM 1505 CG ARG A 94 -9.861 -53.893 -41.987 1.00 72.13 C ATOM 1506 CD ARG A 94 -11.223 -53.252 -42.202 1.00 34.11 C ATOM 1507 NE ARG A 94 -12.092 -54.079 -43.035 1.00 34.22 N ATOM 1508 CZ ARG A 94 -11.919 -54.243 -44.341 1.00 62.45 C ATOM 1509 NH1 ARG A 94 -10.913 -53.641 -44.961 1.00 13.21 N ATOM 1510 NH2 ARG A 94 -12.752 -55.012 -45.031 1.00 61.12 N ATOM 0 H ARG A 94 -7.748 -53.720 -38.671 1.00 72.33 H new ATOM 0 HA ARG A 94 -9.279 -55.862 -39.887 1.00 1.14 H new ATOM 0 HB2 ARG A 94 -10.322 -53.736 -39.905 1.00 3.24 H new ATOM 0 HB3 ARG A 94 -8.851 -52.910 -40.378 1.00 3.24 H new ATOM 0 HG2 ARG A 94 -9.120 -53.393 -42.611 1.00 72.13 H new ATOM 0 HG3 ARG A 94 -9.894 -54.935 -42.304 1.00 72.13 H new ATOM 0 HD2 ARG A 94 -11.700 -53.083 -41.237 1.00 34.11 H new ATOM 0 HD3 ARG A 94 -11.094 -52.276 -42.670 1.00 34.11 H new ATOM 0 HE ARG A 94 -12.875 -54.557 -42.589 1.00 34.22 H new ATOM 0 HH11 ARG A 94 -10.270 -53.050 -44.434 1.00 13.21 H new ATOM 0 HH12 ARG A 94 -10.783 -53.769 -45.965 1.00 13.21 H new ATOM 0 HH21 ARG A 94 -13.526 -55.478 -44.558 1.00 61.12 H new ATOM 0 HH22 ARG A 94 -12.618 -55.137 -46.034 1.00 61.12 H new ATOM 1524 N SER A 95 -6.456 -54.780 -41.161 1.00 55.52 N ATOM 1525 CA SER A 95 -5.426 -55.065 -42.153 1.00 53.41 C ATOM 1526 C SER A 95 -4.474 -56.147 -41.652 1.00 54.41 C ATOM 1527 O SER A 95 -3.619 -56.629 -42.395 1.00 33.31 O ATOM 1528 CB SER A 95 -4.642 -53.793 -42.485 1.00 33.41 C ATOM 1529 OG SER A 95 -4.607 -53.567 -43.883 1.00 43.42 O ATOM 0 H SER A 95 -6.202 -54.060 -40.485 1.00 55.52 H new ATOM 0 HA SER A 95 -5.916 -55.427 -43.057 1.00 53.41 H new ATOM 0 HB2 SER A 95 -5.100 -52.939 -41.987 1.00 33.41 H new ATOM 0 HB3 SER A 95 -3.625 -53.878 -42.101 1.00 33.41 H new ATOM 0 HG SER A 95 -4.102 -52.748 -44.069 1.00 43.42 H new ATOM 1535 N TYR A 96 -4.629 -56.522 -40.388 1.00 34.44 N ATOM 1536 CA TYR A 96 -3.783 -57.545 -39.785 1.00 61.30 C ATOM 1537 C TYR A 96 -4.570 -58.829 -39.539 1.00 54.31 C ATOM 1538 O TYR A 96 -4.191 -59.903 -40.005 1.00 23.10 O ATOM 1539 CB TYR A 96 -3.191 -57.037 -38.469 1.00 63.15 C ATOM 1540 CG TYR A 96 -2.488 -58.109 -37.667 1.00 74.34 C ATOM 1541 CD1 TYR A 96 -1.923 -59.214 -38.292 1.00 43.22 C ATOM 1542 CD2 TYR A 96 -2.390 -58.017 -36.284 1.00 63.24 C ATOM 1543 CE1 TYR A 96 -1.281 -60.196 -37.563 1.00 62.01 C ATOM 1544 CE2 TYR A 96 -1.748 -58.994 -35.547 1.00 54.14 C ATOM 1545 CZ TYR A 96 -1.196 -60.082 -36.191 1.00 51.52 C ATOM 1546 OH TYR A 96 -0.556 -61.057 -35.461 1.00 73.15 O ATOM 0 H TYR A 96 -5.333 -56.133 -39.760 1.00 34.44 H new ATOM 0 HA TYR A 96 -2.972 -57.765 -40.480 1.00 61.30 H new ATOM 0 HB2 TYR A 96 -2.485 -56.234 -38.684 1.00 63.15 H new ATOM 0 HB3 TYR A 96 -3.989 -56.607 -37.864 1.00 63.15 H new ATOM 0 HD1 TYR A 96 -1.987 -59.307 -39.366 1.00 43.22 H new ATOM 0 HD2 TYR A 96 -2.823 -57.168 -35.776 1.00 63.24 H new ATOM 0 HE1 TYR A 96 -0.848 -61.049 -38.065 1.00 62.01 H new ATOM 0 HE2 TYR A 96 -1.679 -58.906 -34.473 1.00 54.14 H new ATOM 0 HH TYR A 96 -0.584 -60.824 -34.509 1.00 73.15 H new