USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=10 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 Set 1.1: A 72 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 73 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 82:sc= 0.282 USER MOD Single : A 41 SER OG : rot 82:sc= 0.276 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 75 THR OG1 : rot -120:sc= -1.37 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 84:sc= 0.134 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot -78:sc= 0.0617 USER MOD Single : A 92 MET CE :methyl 162:sc= 0 (180deg=-0.457) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 74:sc= 1.14 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 215 N ILE A 14 -3.155 -5.655 16.579 1.00 12.50 N ATOM 216 CA ILE A 14 -3.834 -4.913 17.635 1.00 70.33 C ATOM 217 C ILE A 14 -5.342 -4.892 17.409 1.00 40.41 C ATOM 218 O ILE A 14 -6.118 -5.241 18.299 1.00 60.13 O ATOM 219 CB ILE A 14 -3.319 -3.465 17.726 1.00 10.31 C ATOM 220 CG1 ILE A 14 -2.103 -3.390 18.652 1.00 14.03 C ATOM 221 CG2 ILE A 14 -4.423 -2.540 18.217 1.00 71.04 C ATOM 222 CD1 ILE A 14 -0.807 -3.105 17.926 1.00 33.23 C ATOM 0 HA ILE A 14 -3.617 -5.426 18.572 1.00 70.33 H new ATOM 0 HB ILE A 14 -3.015 -3.140 16.731 1.00 10.31 H new ATOM 0 HG12 ILE A 14 -2.271 -2.612 19.397 1.00 14.03 H new ATOM 0 HG13 ILE A 14 -2.008 -4.333 19.191 1.00 14.03 H new ATOM 0 HG21 ILE A 14 -4.044 -1.520 18.276 1.00 71.04 H new ATOM 0 HG22 ILE A 14 -5.263 -2.575 17.523 1.00 71.04 H new ATOM 0 HG23 ILE A 14 -4.755 -2.861 19.204 1.00 71.04 H new ATOM 0 HD11 ILE A 14 0.012 -3.066 18.645 1.00 33.23 H new ATOM 0 HD12 ILE A 14 -0.615 -3.895 17.200 1.00 33.23 H new ATOM 0 HD13 ILE A 14 -0.882 -2.148 17.409 1.00 33.23 H new ATOM 234 N ILE A 15 -5.750 -4.481 16.213 1.00 44.41 N ATOM 235 CA ILE A 15 -7.165 -4.416 15.869 1.00 23.42 C ATOM 236 C ILE A 15 -7.875 -5.720 16.218 1.00 1.15 C ATOM 237 O ILE A 15 -8.974 -5.711 16.771 1.00 72.43 O ATOM 238 CB ILE A 15 -7.367 -4.120 14.372 1.00 53.15 C ATOM 239 CG1 ILE A 15 -6.711 -2.789 14.000 1.00 40.35 C ATOM 240 CG2 ILE A 15 -8.850 -4.099 14.032 1.00 51.23 C ATOM 241 CD1 ILE A 15 -7.197 -1.622 14.831 1.00 61.30 C ATOM 0 H ILE A 15 -5.120 -4.188 15.466 1.00 44.41 H new ATOM 0 HA ILE A 15 -7.595 -3.602 16.453 1.00 23.42 H new ATOM 0 HB ILE A 15 -6.892 -4.912 13.793 1.00 53.15 H new ATOM 0 HG12 ILE A 15 -5.631 -2.881 14.115 1.00 40.35 H new ATOM 0 HG13 ILE A 15 -6.903 -2.580 12.948 1.00 40.35 H new ATOM 0 HG21 ILE A 15 -8.977 -3.888 12.970 1.00 51.23 H new ATOM 0 HG22 ILE A 15 -9.290 -5.068 14.265 1.00 51.23 H new ATOM 0 HG23 ILE A 15 -9.347 -3.325 14.617 1.00 51.23 H new ATOM 0 HD11 ILE A 15 -6.689 -0.712 14.512 1.00 61.30 H new ATOM 0 HD12 ILE A 15 -8.272 -1.503 14.698 1.00 61.30 H new ATOM 0 HD13 ILE A 15 -6.980 -1.809 15.883 1.00 61.30 H new ATOM 253 N GLY A 16 -7.237 -6.841 15.894 1.00 53.44 N ATOM 254 CA GLY A 16 -7.822 -8.137 16.182 1.00 31.01 C ATOM 255 C GLY A 16 -7.895 -8.422 17.669 1.00 20.31 C ATOM 256 O GLY A 16 -8.766 -9.165 18.125 1.00 51.45 O ATOM 0 H GLY A 16 -6.326 -6.874 15.437 1.00 53.44 H new ATOM 0 HA2 GLY A 16 -8.825 -8.182 15.757 1.00 31.01 H new ATOM 0 HA3 GLY A 16 -7.234 -8.914 15.695 1.00 31.01 H new ATOM 260 N LEU A 17 -6.978 -7.833 18.428 1.00 23.44 N ATOM 261 CA LEU A 17 -6.940 -8.029 19.873 1.00 32.35 C ATOM 262 C LEU A 17 -7.999 -7.177 20.566 1.00 21.31 C ATOM 263 O LEU A 17 -8.686 -7.641 21.477 1.00 42.34 O ATOM 264 CB LEU A 17 -5.554 -7.683 20.419 1.00 23.20 C ATOM 265 CG LEU A 17 -4.591 -8.857 20.599 1.00 20.52 C ATOM 266 CD1 LEU A 17 -4.620 -9.764 19.378 1.00 14.05 C ATOM 267 CD2 LEU A 17 -3.178 -8.354 20.858 1.00 34.22 C ATOM 0 H LEU A 17 -6.251 -7.216 18.067 1.00 23.44 H new ATOM 0 HA LEU A 17 -7.152 -9.078 20.078 1.00 32.35 H new ATOM 0 HB2 LEU A 17 -5.091 -6.959 19.748 1.00 23.20 H new ATOM 0 HB3 LEU A 17 -5.678 -7.190 21.383 1.00 23.20 H new ATOM 0 HG LEU A 17 -4.913 -9.436 21.464 1.00 20.52 H new ATOM 0 HD11 LEU A 17 -3.928 -10.594 19.525 1.00 14.05 H new ATOM 0 HD12 LEU A 17 -5.629 -10.153 19.237 1.00 14.05 H new ATOM 0 HD13 LEU A 17 -4.324 -9.196 18.496 1.00 14.05 H new ATOM 0 HD21 LEU A 17 -2.507 -9.204 20.984 1.00 34.22 H new ATOM 0 HD22 LEU A 17 -2.846 -7.751 20.013 1.00 34.22 H new ATOM 0 HD23 LEU A 17 -3.168 -7.747 21.763 1.00 34.22 H new ATOM 279 N VAL A 18 -8.127 -5.929 20.127 1.00 20.11 N ATOM 280 CA VAL A 18 -9.104 -5.013 20.702 1.00 14.13 C ATOM 281 C VAL A 18 -10.515 -5.348 20.232 1.00 33.30 C ATOM 282 O VAL A 18 -11.499 -4.978 20.873 1.00 73.25 O ATOM 283 CB VAL A 18 -8.787 -3.551 20.336 1.00 41.11 C ATOM 284 CG1 VAL A 18 -7.502 -3.098 21.013 1.00 53.44 C ATOM 285 CG2 VAL A 18 -8.690 -3.390 18.826 1.00 4.44 C ATOM 0 H VAL A 18 -7.566 -5.529 19.375 1.00 20.11 H new ATOM 0 HA VAL A 18 -9.047 -5.129 21.784 1.00 14.13 H new ATOM 0 HB VAL A 18 -9.600 -2.919 20.694 1.00 41.11 H new ATOM 0 HG11 VAL A 18 -7.294 -2.063 20.743 1.00 53.44 H new ATOM 0 HG12 VAL A 18 -7.614 -3.175 22.094 1.00 53.44 H new ATOM 0 HG13 VAL A 18 -6.676 -3.731 20.687 1.00 53.44 H new ATOM 0 HG21 VAL A 18 -8.466 -2.351 18.585 1.00 4.44 H new ATOM 0 HG22 VAL A 18 -7.897 -4.031 18.442 1.00 4.44 H new ATOM 0 HG23 VAL A 18 -9.638 -3.672 18.368 1.00 4.44 H new ATOM 295 N VAL A 19 -10.607 -6.052 19.108 1.00 21.43 N ATOM 296 CA VAL A 19 -11.898 -6.440 18.552 1.00 43.10 C ATOM 297 C VAL A 19 -12.277 -7.854 18.977 1.00 60.12 C ATOM 298 O VAL A 19 -13.321 -8.070 19.595 1.00 44.24 O ATOM 299 CB VAL A 19 -11.892 -6.362 17.014 1.00 51.13 C ATOM 300 CG1 VAL A 19 -13.169 -6.961 16.444 1.00 64.41 C ATOM 301 CG2 VAL A 19 -11.718 -4.922 16.554 1.00 32.23 C ATOM 0 H VAL A 19 -9.803 -6.365 18.565 1.00 21.43 H new ATOM 0 HA VAL A 19 -12.635 -5.737 18.941 1.00 43.10 H new ATOM 0 HB VAL A 19 -11.048 -6.943 16.642 1.00 51.13 H new ATOM 0 HG11 VAL A 19 -13.147 -6.897 15.356 1.00 64.41 H new ATOM 0 HG12 VAL A 19 -13.246 -8.006 16.745 1.00 64.41 H new ATOM 0 HG13 VAL A 19 -14.030 -6.410 16.822 1.00 64.41 H new ATOM 0 HG21 VAL A 19 -11.716 -4.886 15.465 1.00 32.23 H new ATOM 0 HG22 VAL A 19 -12.540 -4.316 16.936 1.00 32.23 H new ATOM 0 HG23 VAL A 19 -10.773 -4.531 16.932 1.00 32.23 H new ATOM 311 N LEU A 20 -11.423 -8.815 18.643 1.00 71.24 N ATOM 312 CA LEU A 20 -11.668 -10.211 18.990 1.00 43.21 C ATOM 313 C LEU A 20 -11.447 -10.448 20.480 1.00 2.35 C ATOM 314 O LEU A 20 -11.812 -11.494 21.014 1.00 74.20 O ATOM 315 CB LEU A 20 -10.753 -11.127 18.175 1.00 35.52 C ATOM 316 CG LEU A 20 -11.191 -12.589 18.068 1.00 1.33 C ATOM 317 CD1 LEU A 20 -12.700 -12.684 17.904 1.00 2.41 C ATOM 318 CD2 LEU A 20 -10.482 -13.274 16.909 1.00 32.10 C ATOM 0 H LEU A 20 -10.555 -8.654 18.132 1.00 71.24 H new ATOM 0 HA LEU A 20 -12.707 -10.442 18.754 1.00 43.21 H new ATOM 0 HB2 LEU A 20 -10.668 -10.719 17.168 1.00 35.52 H new ATOM 0 HB3 LEU A 20 -9.757 -11.098 18.616 1.00 35.52 H new ATOM 0 HG LEU A 20 -10.914 -13.100 18.990 1.00 1.33 H new ATOM 0 HD11 LEU A 20 -12.993 -13.731 17.830 1.00 2.41 H new ATOM 0 HD12 LEU A 20 -13.189 -12.231 18.766 1.00 2.41 H new ATOM 0 HD13 LEU A 20 -13.001 -12.158 16.998 1.00 2.41 H new ATOM 0 HD21 LEU A 20 -10.805 -14.313 16.848 1.00 32.10 H new ATOM 0 HD22 LEU A 20 -10.727 -12.762 15.979 1.00 32.10 H new ATOM 0 HD23 LEU A 20 -9.404 -13.238 17.069 1.00 32.10 H new ATOM 330 N GLY A 21 -10.847 -9.466 21.148 1.00 34.42 N ATOM 331 CA GLY A 21 -10.590 -9.587 22.571 1.00 11.24 C ATOM 332 C GLY A 21 -9.406 -10.484 22.873 1.00 42.44 C ATOM 333 O GLY A 21 -9.276 -11.580 22.329 1.00 71.43 O ATOM 0 H GLY A 21 -10.535 -8.590 20.729 1.00 34.42 H new ATOM 0 HA2 GLY A 21 -10.408 -8.597 22.989 1.00 11.24 H new ATOM 0 HA3 GLY A 21 -11.477 -9.983 23.065 1.00 11.24 H new ATOM 337 N PRO A 22 -8.514 -10.015 23.758 1.00 1.01 N ATOM 338 CA PRO A 22 -7.318 -10.766 24.150 1.00 64.22 C ATOM 339 C PRO A 22 -7.653 -11.994 24.990 1.00 52.13 C ATOM 340 O PRO A 22 -6.766 -12.757 25.371 1.00 10.43 O ATOM 341 CB PRO A 22 -6.519 -9.755 24.976 1.00 64.20 C ATOM 342 CG PRO A 22 -7.539 -8.805 25.502 1.00 64.40 C ATOM 343 CD PRO A 22 -8.605 -8.716 24.445 1.00 1.15 C ATOM 0 HA PRO A 22 -6.778 -11.152 23.285 1.00 64.22 H new ATOM 0 HB2 PRO A 22 -5.979 -10.245 25.786 1.00 64.20 H new ATOM 0 HB3 PRO A 22 -5.778 -9.241 24.364 1.00 64.20 H new ATOM 0 HG2 PRO A 22 -7.953 -9.160 26.445 1.00 64.40 H new ATOM 0 HG3 PRO A 22 -7.098 -7.827 25.695 1.00 64.40 H new ATOM 0 HD2 PRO A 22 -9.592 -8.561 24.882 1.00 1.15 H new ATOM 0 HD3 PRO A 22 -8.425 -7.886 23.761 1.00 1.15 H new ATOM 351 N GLN A 23 -8.939 -12.178 25.273 1.00 4.12 N ATOM 352 CA GLN A 23 -9.390 -13.314 26.068 1.00 1.45 C ATOM 353 C GLN A 23 -9.108 -14.628 25.349 1.00 61.40 C ATOM 354 O GLN A 23 -8.714 -15.615 25.971 1.00 74.43 O ATOM 355 CB GLN A 23 -10.885 -13.192 26.367 1.00 74.34 C ATOM 356 CG GLN A 23 -11.278 -11.854 26.972 1.00 34.40 C ATOM 357 CD GLN A 23 -12.767 -11.750 27.241 1.00 62.23 C ATOM 358 OE1 GLN A 23 -13.562 -12.523 26.705 1.00 43.13 O ATOM 359 NE2 GLN A 23 -13.152 -10.791 28.075 1.00 73.53 N ATOM 0 H GLN A 23 -9.686 -11.556 24.964 1.00 4.12 H new ATOM 0 HA GLN A 23 -8.837 -13.310 27.008 1.00 1.45 H new ATOM 0 HB2 GLN A 23 -11.445 -13.342 25.444 1.00 74.34 H new ATOM 0 HB3 GLN A 23 -11.177 -13.990 27.050 1.00 74.34 H new ATOM 0 HG2 GLN A 23 -10.733 -11.707 27.904 1.00 34.40 H new ATOM 0 HG3 GLN A 23 -10.978 -11.052 26.297 1.00 34.40 H new ATOM 0 HE21 GLN A 23 -12.459 -10.173 28.496 1.00 73.53 H new ATOM 0 HE22 GLN A 23 -14.141 -10.672 28.294 1.00 73.53 H new ATOM 368 N ARG A 24 -9.312 -14.634 24.036 1.00 70.23 N ATOM 369 CA ARG A 24 -9.081 -15.828 23.232 1.00 71.41 C ATOM 370 C ARG A 24 -8.320 -15.485 21.955 1.00 65.40 C ATOM 371 O ARG A 24 -8.711 -15.888 20.859 1.00 63.43 O ATOM 372 CB ARG A 24 -10.411 -16.498 22.881 1.00 11.10 C ATOM 373 CG ARG A 24 -11.522 -15.513 22.556 1.00 42.44 C ATOM 374 CD ARG A 24 -11.466 -15.070 21.102 1.00 44.01 C ATOM 375 NE ARG A 24 -12.510 -14.100 20.784 1.00 35.41 N ATOM 376 CZ ARG A 24 -13.801 -14.407 20.716 1.00 52.22 C ATOM 377 NH1 ARG A 24 -14.204 -15.650 20.942 1.00 2.32 N ATOM 378 NH2 ARG A 24 -14.692 -13.469 20.421 1.00 53.10 N ATOM 0 H ARG A 24 -9.637 -13.825 23.506 1.00 70.23 H new ATOM 0 HA ARG A 24 -8.477 -16.520 23.820 1.00 71.41 H new ATOM 0 HB2 ARG A 24 -10.261 -17.158 22.027 1.00 11.10 H new ATOM 0 HB3 ARG A 24 -10.725 -17.124 23.717 1.00 11.10 H new ATOM 0 HG2 ARG A 24 -12.489 -15.973 22.760 1.00 42.44 H new ATOM 0 HG3 ARG A 24 -11.439 -14.642 23.206 1.00 42.44 H new ATOM 0 HD2 ARG A 24 -10.490 -14.633 20.894 1.00 44.01 H new ATOM 0 HD3 ARG A 24 -11.570 -15.940 20.454 1.00 44.01 H new ATOM 0 HE ARG A 24 -12.233 -13.135 20.604 1.00 35.41 H new ATOM 0 HH11 ARG A 24 -13.522 -16.374 21.169 1.00 2.32 H new ATOM 0 HH12 ARG A 24 -15.196 -15.882 20.889 1.00 2.32 H new ATOM 0 HH21 ARG A 24 -14.386 -12.512 20.246 1.00 53.10 H new ATOM 0 HH22 ARG A 24 -15.683 -13.705 20.369 1.00 53.10 H new ATOM 392 N LEU A 25 -7.231 -14.739 22.104 1.00 10.31 N ATOM 393 CA LEU A 25 -6.414 -14.341 20.963 1.00 51.50 C ATOM 394 C LEU A 25 -5.650 -15.534 20.397 1.00 13.53 C ATOM 395 O LEU A 25 -5.716 -15.836 19.206 1.00 54.24 O ATOM 396 CB LEU A 25 -5.433 -13.240 21.372 1.00 74.01 C ATOM 397 CG LEU A 25 -4.316 -12.933 20.375 1.00 43.42 C ATOM 398 CD1 LEU A 25 -3.132 -13.861 20.597 1.00 60.22 C ATOM 399 CD2 LEU A 25 -4.828 -13.050 18.947 1.00 63.23 C ATOM 0 H LEU A 25 -6.893 -14.397 23.004 1.00 10.31 H new ATOM 0 HA LEU A 25 -7.078 -13.958 20.188 1.00 51.50 H new ATOM 0 HB2 LEU A 25 -5.998 -12.324 21.548 1.00 74.01 H new ATOM 0 HB3 LEU A 25 -4.978 -13.521 22.322 1.00 74.01 H new ATOM 0 HG LEU A 25 -3.983 -11.908 20.537 1.00 43.42 H new ATOM 0 HD11 LEU A 25 -2.347 -13.627 19.878 1.00 60.22 H new ATOM 0 HD12 LEU A 25 -2.749 -13.727 21.609 1.00 60.22 H new ATOM 0 HD13 LEU A 25 -3.450 -14.895 20.464 1.00 60.22 H new ATOM 0 HD21 LEU A 25 -4.019 -12.828 18.251 1.00 63.23 H new ATOM 0 HD22 LEU A 25 -5.189 -14.063 18.772 1.00 63.23 H new ATOM 0 HD23 LEU A 25 -5.643 -12.343 18.794 1.00 63.23 H new ATOM 411 N PRO A 26 -4.909 -16.230 21.271 1.00 22.24 N ATOM 412 CA PRO A 26 -4.120 -17.403 20.882 1.00 34.24 C ATOM 413 C PRO A 26 -4.997 -18.598 20.524 1.00 33.21 C ATOM 414 O PRO A 26 -4.504 -19.627 20.061 1.00 43.51 O ATOM 415 CB PRO A 26 -3.292 -17.704 22.134 1.00 64.34 C ATOM 416 CG PRO A 26 -4.086 -17.139 23.260 1.00 75.04 C ATOM 417 CD PRO A 26 -4.783 -15.927 22.707 1.00 55.32 C ATOM 0 HA PRO A 26 -3.520 -17.214 19.992 1.00 34.24 H new ATOM 0 HB2 PRO A 26 -3.137 -18.776 22.258 1.00 64.34 H new ATOM 0 HB3 PRO A 26 -2.305 -17.244 22.076 1.00 64.34 H new ATOM 0 HG2 PRO A 26 -4.806 -17.867 23.634 1.00 75.04 H new ATOM 0 HG3 PRO A 26 -3.441 -16.871 24.097 1.00 75.04 H new ATOM 0 HD2 PRO A 26 -5.757 -15.776 23.173 1.00 55.32 H new ATOM 0 HD3 PRO A 26 -4.205 -15.019 22.877 1.00 55.32 H new ATOM 425 N VAL A 27 -6.301 -18.456 20.741 1.00 51.12 N ATOM 426 CA VAL A 27 -7.247 -19.523 20.439 1.00 32.41 C ATOM 427 C VAL A 27 -7.313 -19.792 18.940 1.00 64.21 C ATOM 428 O VAL A 27 -7.213 -20.937 18.499 1.00 11.13 O ATOM 429 CB VAL A 27 -8.660 -19.183 20.951 1.00 44.35 C ATOM 430 CG1 VAL A 27 -9.675 -20.186 20.424 1.00 3.21 C ATOM 431 CG2 VAL A 27 -8.679 -19.140 22.471 1.00 52.10 C ATOM 0 H VAL A 27 -6.726 -17.612 21.125 1.00 51.12 H new ATOM 0 HA VAL A 27 -6.889 -20.417 20.950 1.00 32.41 H new ATOM 0 HB VAL A 27 -8.935 -18.196 20.579 1.00 44.35 H new ATOM 0 HG11 VAL A 27 -10.667 -19.930 20.796 1.00 3.21 H new ATOM 0 HG12 VAL A 27 -9.679 -20.161 19.334 1.00 3.21 H new ATOM 0 HG13 VAL A 27 -9.408 -21.187 20.763 1.00 3.21 H new ATOM 0 HG21 VAL A 27 -9.684 -18.899 22.816 1.00 52.10 H new ATOM 0 HG22 VAL A 27 -8.384 -20.112 22.866 1.00 52.10 H new ATOM 0 HG23 VAL A 27 -7.983 -18.379 22.822 1.00 52.10 H new ATOM 441 N ALA A 28 -7.480 -18.729 18.160 1.00 11.14 N ATOM 442 CA ALA A 28 -7.556 -18.849 16.710 1.00 73.52 C ATOM 443 C ALA A 28 -6.265 -19.426 16.138 1.00 34.14 C ATOM 444 O ALA A 28 -6.290 -20.383 15.364 1.00 32.24 O ATOM 445 CB ALA A 28 -7.855 -17.496 16.083 1.00 40.24 C ATOM 0 H ALA A 28 -7.565 -17.774 18.509 1.00 11.14 H new ATOM 0 HA ALA A 28 -8.368 -19.536 16.469 1.00 73.52 H new ATOM 0 HB1 ALA A 28 -7.909 -17.601 14.999 1.00 40.24 H new ATOM 0 HB2 ALA A 28 -8.808 -17.123 16.459 1.00 40.24 H new ATOM 0 HB3 ALA A 28 -7.063 -16.793 16.340 1.00 40.24 H new ATOM 451 N VAL A 29 -5.138 -18.837 16.524 1.00 22.21 N ATOM 452 CA VAL A 29 -3.836 -19.293 16.050 1.00 14.13 C ATOM 453 C VAL A 29 -3.627 -20.772 16.356 1.00 54.23 C ATOM 454 O VAL A 29 -3.332 -21.566 15.463 1.00 74.24 O ATOM 455 CB VAL A 29 -2.692 -18.482 16.687 1.00 40.14 C ATOM 456 CG1 VAL A 29 -1.361 -18.844 16.046 1.00 4.23 C ATOM 457 CG2 VAL A 29 -2.964 -16.990 16.564 1.00 72.34 C ATOM 0 H VAL A 29 -5.100 -18.043 17.163 1.00 22.21 H new ATOM 0 HA VAL A 29 -3.821 -19.143 14.971 1.00 14.13 H new ATOM 0 HB VAL A 29 -2.638 -18.732 17.747 1.00 40.14 H new ATOM 0 HG11 VAL A 29 -0.564 -18.261 16.508 1.00 4.23 H new ATOM 0 HG12 VAL A 29 -1.165 -19.906 16.190 1.00 4.23 H new ATOM 0 HG13 VAL A 29 -1.399 -18.624 14.979 1.00 4.23 H new ATOM 0 HG21 VAL A 29 -2.146 -16.432 17.019 1.00 72.34 H new ATOM 0 HG22 VAL A 29 -3.045 -16.721 15.511 1.00 72.34 H new ATOM 0 HG23 VAL A 29 -3.896 -16.747 17.074 1.00 72.34 H new ATOM 467 N LYS A 30 -3.783 -21.136 17.624 1.00 23.10 N ATOM 468 CA LYS A 30 -3.613 -22.520 18.049 1.00 32.43 C ATOM 469 C LYS A 30 -4.487 -23.455 17.219 1.00 23.51 C ATOM 470 O LYS A 30 -4.025 -24.492 16.739 1.00 2.55 O ATOM 471 CB LYS A 30 -3.959 -22.666 19.533 1.00 1.30 C ATOM 472 CG LYS A 30 -2.940 -22.026 20.460 1.00 13.34 C ATOM 473 CD LYS A 30 -2.061 -23.070 21.128 1.00 2.51 C ATOM 474 CE LYS A 30 -1.069 -22.431 22.089 1.00 72.04 C ATOM 475 NZ LYS A 30 0.298 -23.000 21.933 1.00 2.14 N ATOM 0 H LYS A 30 -4.027 -20.491 18.376 1.00 23.10 H new ATOM 0 HA LYS A 30 -2.569 -22.795 17.896 1.00 32.43 H new ATOM 0 HB2 LYS A 30 -4.936 -22.218 19.716 1.00 1.30 H new ATOM 0 HB3 LYS A 30 -4.044 -23.725 19.775 1.00 1.30 H new ATOM 0 HG2 LYS A 30 -2.317 -21.333 19.895 1.00 13.34 H new ATOM 0 HG3 LYS A 30 -3.456 -21.442 21.222 1.00 13.34 H new ATOM 0 HD2 LYS A 30 -2.686 -23.782 21.668 1.00 2.51 H new ATOM 0 HD3 LYS A 30 -1.521 -23.633 20.367 1.00 2.51 H new ATOM 0 HE2 LYS A 30 -1.037 -21.355 21.916 1.00 72.04 H new ATOM 0 HE3 LYS A 30 -1.409 -22.579 23.114 1.00 72.04 H new ATOM 0 HZ1 LYS A 30 0.945 -22.539 22.605 1.00 2.14 H new ATOM 0 HZ2 LYS A 30 0.272 -24.022 22.123 1.00 2.14 H new ATOM 0 HZ3 LYS A 30 0.633 -22.837 20.962 1.00 2.14 H new ATOM 489 N THR A 31 -5.752 -23.083 17.051 1.00 1.03 N ATOM 490 CA THR A 31 -6.690 -23.888 16.279 1.00 44.12 C ATOM 491 C THR A 31 -6.186 -24.104 14.856 1.00 34.33 C ATOM 492 O THR A 31 -5.926 -25.235 14.444 1.00 3.24 O ATOM 493 CB THR A 31 -8.082 -23.231 16.224 1.00 2.05 C ATOM 494 OG1 THR A 31 -8.726 -23.343 17.498 1.00 12.43 O ATOM 495 CG2 THR A 31 -8.946 -23.882 15.155 1.00 43.44 C ATOM 0 H THR A 31 -6.151 -22.228 17.440 1.00 1.03 H new ATOM 0 HA THR A 31 -6.771 -24.851 16.784 1.00 44.12 H new ATOM 0 HB THR A 31 -7.953 -22.178 15.973 1.00 2.05 H new ATOM 0 HG1 THR A 31 -8.405 -22.631 18.091 1.00 12.43 H new ATOM 0 HG21 THR A 31 -9.924 -23.401 15.135 1.00 43.44 H new ATOM 0 HG22 THR A 31 -8.467 -23.770 14.182 1.00 43.44 H new ATOM 0 HG23 THR A 31 -9.067 -24.942 15.380 1.00 43.44 H new ATOM 503 N VAL A 32 -6.051 -23.013 14.109 1.00 71.41 N ATOM 504 CA VAL A 32 -5.577 -23.084 12.732 1.00 40.10 C ATOM 505 C VAL A 32 -4.348 -23.979 12.619 1.00 3.42 C ATOM 506 O VAL A 32 -4.384 -25.021 11.965 1.00 3.44 O ATOM 507 CB VAL A 32 -5.233 -21.686 12.185 1.00 62.05 C ATOM 508 CG1 VAL A 32 -4.915 -21.758 10.699 1.00 52.53 C ATOM 509 CG2 VAL A 32 -6.374 -20.715 12.448 1.00 31.30 C ATOM 0 H VAL A 32 -6.263 -22.070 14.434 1.00 71.41 H new ATOM 0 HA VAL A 32 -6.387 -23.509 12.139 1.00 40.10 H new ATOM 0 HB VAL A 32 -4.348 -21.319 12.705 1.00 62.05 H new ATOM 0 HG11 VAL A 32 -4.674 -20.761 10.330 1.00 52.53 H new ATOM 0 HG12 VAL A 32 -4.063 -22.419 10.541 1.00 52.53 H new ATOM 0 HG13 VAL A 32 -5.780 -22.146 10.160 1.00 52.53 H new ATOM 0 HG21 VAL A 32 -6.113 -19.732 12.055 1.00 31.30 H new ATOM 0 HG22 VAL A 32 -7.278 -21.074 11.957 1.00 31.30 H new ATOM 0 HG23 VAL A 32 -6.549 -20.642 13.521 1.00 31.30 H new ATOM 519 N ALA A 33 -3.260 -23.565 13.262 1.00 54.34 N ATOM 520 CA ALA A 33 -2.020 -24.330 13.236 1.00 51.12 C ATOM 521 C ALA A 33 -2.235 -25.742 13.769 1.00 72.31 C ATOM 522 O ALA A 33 -1.453 -26.649 13.486 1.00 55.03 O ATOM 523 CB ALA A 33 -0.944 -23.618 14.042 1.00 43.35 C ATOM 0 H ALA A 33 -3.213 -22.704 13.807 1.00 54.34 H new ATOM 0 HA ALA A 33 -1.691 -24.407 12.200 1.00 51.12 H new ATOM 0 HB1 ALA A 33 -0.023 -24.201 14.014 1.00 43.35 H new ATOM 0 HB2 ALA A 33 -0.763 -22.632 13.615 1.00 43.35 H new ATOM 0 HB3 ALA A 33 -1.274 -23.511 15.075 1.00 43.35 H new ATOM 529 N GLY A 34 -3.301 -25.922 14.544 1.00 41.33 N ATOM 530 CA GLY A 34 -3.599 -27.226 15.105 1.00 62.51 C ATOM 531 C GLY A 34 -3.872 -28.268 14.038 1.00 42.11 C ATOM 532 O GLY A 34 -3.082 -29.193 13.848 1.00 34.21 O ATOM 0 H GLY A 34 -3.963 -25.187 14.793 1.00 41.33 H new ATOM 0 HA2 GLY A 34 -2.762 -27.553 15.722 1.00 62.51 H new ATOM 0 HA3 GLY A 34 -4.466 -27.146 15.761 1.00 62.51 H new ATOM 536 N TRP A 35 -4.993 -28.119 13.341 1.00 4.33 N ATOM 537 CA TRP A 35 -5.368 -29.056 12.289 1.00 54.34 C ATOM 538 C TRP A 35 -4.494 -28.867 11.054 1.00 52.41 C ATOM 539 O TRP A 35 -4.392 -29.760 10.212 1.00 2.43 O ATOM 540 CB TRP A 35 -6.841 -28.875 11.918 1.00 14.34 C ATOM 541 CG TRP A 35 -7.218 -27.447 11.660 1.00 22.10 C ATOM 542 CD1 TRP A 35 -7.624 -26.527 12.583 1.00 10.45 C ATOM 543 CD2 TRP A 35 -7.225 -26.778 10.394 1.00 24.41 C ATOM 544 NE1 TRP A 35 -7.883 -25.326 11.968 1.00 41.22 N ATOM 545 CE2 TRP A 35 -7.645 -25.454 10.625 1.00 43.20 C ATOM 546 CE3 TRP A 35 -6.915 -27.169 9.089 1.00 43.34 C ATOM 547 CZ2 TRP A 35 -7.763 -24.521 9.598 1.00 31.11 C ATOM 548 CZ3 TRP A 35 -7.033 -26.242 8.070 1.00 0.15 C ATOM 549 CH2 TRP A 35 -7.453 -24.931 8.330 1.00 53.54 C ATOM 0 H TRP A 35 -5.657 -27.359 13.486 1.00 4.33 H new ATOM 0 HA TRP A 35 -5.217 -30.067 12.667 1.00 54.34 H new ATOM 0 HB2 TRP A 35 -7.060 -29.467 11.029 1.00 14.34 H new ATOM 0 HB3 TRP A 35 -7.462 -29.267 12.723 1.00 14.34 H new ATOM 0 HD1 TRP A 35 -7.727 -26.715 13.641 1.00 10.45 H new ATOM 0 HE1 TRP A 35 -8.201 -24.477 12.435 1.00 41.22 H new ATOM 0 HE3 TRP A 35 -6.589 -28.177 8.880 1.00 43.34 H new ATOM 0 HZ2 TRP A 35 -8.088 -23.510 9.795 1.00 31.11 H new ATOM 0 HZ3 TRP A 35 -6.798 -26.533 7.057 1.00 0.15 H new ATOM 0 HH2 TRP A 35 -7.534 -24.230 7.513 1.00 53.54 H new ATOM 560 N ILE A 36 -3.866 -27.700 10.952 1.00 71.20 N ATOM 561 CA ILE A 36 -3.000 -27.396 9.820 1.00 63.00 C ATOM 562 C ILE A 36 -1.741 -28.256 9.845 1.00 62.34 C ATOM 563 O ILE A 36 -1.403 -28.908 8.856 1.00 4.13 O ATOM 564 CB ILE A 36 -2.593 -25.911 9.806 1.00 43.34 C ATOM 565 CG1 ILE A 36 -3.667 -25.072 9.111 1.00 13.32 C ATOM 566 CG2 ILE A 36 -1.248 -25.737 9.115 1.00 54.41 C ATOM 567 CD1 ILE A 36 -3.237 -23.649 8.833 1.00 44.41 C ATOM 0 H ILE A 36 -3.941 -26.950 11.639 1.00 71.20 H new ATOM 0 HA ILE A 36 -3.570 -27.617 8.918 1.00 63.00 H new ATOM 0 HB ILE A 36 -2.498 -25.566 10.835 1.00 43.34 H new ATOM 0 HG12 ILE A 36 -3.938 -25.551 8.170 1.00 13.32 H new ATOM 0 HG13 ILE A 36 -4.563 -25.057 9.731 1.00 13.32 H new ATOM 0 HG21 ILE A 36 -0.974 -24.682 9.113 1.00 54.41 H new ATOM 0 HG22 ILE A 36 -0.488 -26.308 9.648 1.00 54.41 H new ATOM 0 HG23 ILE A 36 -1.317 -26.096 8.088 1.00 54.41 H new ATOM 0 HD11 ILE A 36 -4.048 -23.114 8.339 1.00 44.41 H new ATOM 0 HD12 ILE A 36 -2.993 -23.152 9.772 1.00 44.41 H new ATOM 0 HD13 ILE A 36 -2.359 -23.654 8.187 1.00 44.41 H new ATOM 579 N ARG A 37 -1.052 -28.255 10.981 1.00 42.30 N ATOM 580 CA ARG A 37 0.170 -29.036 11.135 1.00 52.51 C ATOM 581 C ARG A 37 -0.145 -30.527 11.215 1.00 4.52 C ATOM 582 O ARG A 37 0.609 -31.358 10.709 1.00 14.22 O ATOM 583 CB ARG A 37 0.927 -28.595 12.389 1.00 44.03 C ATOM 584 CG ARG A 37 2.427 -28.832 12.309 1.00 34.12 C ATOM 585 CD ARG A 37 3.063 -28.007 11.202 1.00 61.35 C ATOM 586 NE ARG A 37 4.492 -27.803 11.423 1.00 21.12 N ATOM 587 CZ ARG A 37 5.341 -27.445 10.466 1.00 74.12 C ATOM 588 NH1 ARG A 37 4.906 -27.252 9.228 1.00 32.42 N ATOM 589 NH2 ARG A 37 6.627 -27.279 10.746 1.00 51.22 N ATOM 0 H ARG A 37 -1.319 -27.722 11.809 1.00 42.30 H new ATOM 0 HA ARG A 37 0.797 -28.861 10.261 1.00 52.51 H new ATOM 0 HB2 ARG A 37 0.744 -27.534 12.560 1.00 44.03 H new ATOM 0 HB3 ARG A 37 0.528 -29.130 13.251 1.00 44.03 H new ATOM 0 HG2 ARG A 37 2.888 -28.579 13.264 1.00 34.12 H new ATOM 0 HG3 ARG A 37 2.620 -29.890 12.133 1.00 34.12 H new ATOM 0 HD2 ARG A 37 2.912 -28.507 10.245 1.00 61.35 H new ATOM 0 HD3 ARG A 37 2.564 -27.040 11.139 1.00 61.35 H new ATOM 0 HE ARG A 37 4.859 -27.943 12.364 1.00 21.12 H new ATOM 0 HH11 ARG A 37 3.918 -27.378 9.009 1.00 32.42 H new ATOM 0 HH12 ARG A 37 5.560 -26.977 8.495 1.00 32.42 H new ATOM 0 HH21 ARG A 37 6.965 -27.426 11.697 1.00 51.22 H new ATOM 0 HH22 ARG A 37 7.278 -27.004 10.010 1.00 51.22 H new ATOM 603 N ALA A 38 -1.262 -30.857 11.855 1.00 43.12 N ATOM 604 CA ALA A 38 -1.676 -32.247 12.000 1.00 13.31 C ATOM 605 C ALA A 38 -1.921 -32.892 10.640 1.00 11.41 C ATOM 606 O ALA A 38 -1.368 -33.949 10.334 1.00 0.22 O ATOM 607 CB ALA A 38 -2.927 -32.337 12.862 1.00 61.10 C ATOM 0 H ALA A 38 -1.896 -30.181 12.281 1.00 43.12 H new ATOM 0 HA ALA A 38 -0.869 -32.792 12.491 1.00 13.31 H new ATOM 0 HB1 ALA A 38 -3.225 -33.381 12.962 1.00 61.10 H new ATOM 0 HB2 ALA A 38 -2.720 -31.922 13.849 1.00 61.10 H new ATOM 0 HB3 ALA A 38 -3.733 -31.772 12.393 1.00 61.10 H new ATOM 613 N LEU A 39 -2.753 -32.250 9.827 1.00 11.35 N ATOM 614 CA LEU A 39 -3.072 -32.761 8.499 1.00 21.30 C ATOM 615 C LEU A 39 -1.852 -32.701 7.585 1.00 31.52 C ATOM 616 O LEU A 39 -1.623 -33.604 6.780 1.00 25.00 O ATOM 617 CB LEU A 39 -4.223 -31.962 7.886 1.00 43.34 C ATOM 618 CG LEU A 39 -3.855 -30.598 7.300 1.00 61.14 C ATOM 619 CD1 LEU A 39 -3.408 -30.742 5.853 1.00 0.31 C ATOM 620 CD2 LEU A 39 -5.031 -29.638 7.404 1.00 72.25 C ATOM 0 H LEU A 39 -3.219 -31.374 10.065 1.00 11.35 H new ATOM 0 HA LEU A 39 -3.376 -33.803 8.601 1.00 21.30 H new ATOM 0 HB2 LEU A 39 -4.677 -32.563 7.098 1.00 43.34 H new ATOM 0 HB3 LEU A 39 -4.984 -31.813 8.652 1.00 43.34 H new ATOM 0 HG LEU A 39 -3.025 -30.188 7.876 1.00 61.14 H new ATOM 0 HD11 LEU A 39 -3.150 -29.762 5.453 1.00 0.31 H new ATOM 0 HD12 LEU A 39 -2.536 -31.394 5.805 1.00 0.31 H new ATOM 0 HD13 LEU A 39 -4.217 -31.173 5.263 1.00 0.31 H new ATOM 0 HD21 LEU A 39 -4.751 -28.673 6.982 1.00 72.25 H new ATOM 0 HD22 LEU A 39 -5.880 -30.042 6.853 1.00 72.25 H new ATOM 0 HD23 LEU A 39 -5.305 -29.511 8.451 1.00 72.25 H new ATOM 632 N ARG A 40 -1.072 -31.634 7.717 1.00 11.43 N ATOM 633 CA ARG A 40 0.125 -31.457 6.904 1.00 10.42 C ATOM 634 C ARG A 40 1.119 -32.588 7.147 1.00 24.21 C ATOM 635 O ARG A 40 1.502 -33.301 6.220 1.00 60.54 O ATOM 636 CB ARG A 40 0.783 -30.110 7.213 1.00 33.40 C ATOM 637 CG ARG A 40 1.944 -29.774 6.292 1.00 61.31 C ATOM 638 CD ARG A 40 1.472 -29.048 5.042 1.00 33.21 C ATOM 639 NE ARG A 40 2.551 -28.864 4.075 1.00 32.13 N ATOM 640 CZ ARG A 40 2.508 -27.979 3.086 1.00 73.25 C ATOM 641 NH1 ARG A 40 1.445 -27.201 2.933 1.00 33.50 N ATOM 642 NH2 ARG A 40 3.530 -27.871 2.246 1.00 15.40 N ATOM 0 H ARG A 40 -1.247 -30.878 8.379 1.00 11.43 H new ATOM 0 HA ARG A 40 -0.172 -31.476 5.855 1.00 10.42 H new ATOM 0 HB2 ARG A 40 0.032 -29.323 7.139 1.00 33.40 H new ATOM 0 HB3 ARG A 40 1.138 -30.116 8.244 1.00 33.40 H new ATOM 0 HG2 ARG A 40 2.664 -29.153 6.825 1.00 61.31 H new ATOM 0 HG3 ARG A 40 2.462 -30.690 6.008 1.00 61.31 H new ATOM 0 HD2 ARG A 40 0.663 -29.612 4.579 1.00 33.21 H new ATOM 0 HD3 ARG A 40 1.064 -28.076 5.320 1.00 33.21 H new ATOM 0 HE ARG A 40 3.383 -29.447 4.164 1.00 32.13 H new ATOM 0 HH11 ARG A 40 0.657 -27.281 3.576 1.00 33.50 H new ATOM 0 HH12 ARG A 40 1.415 -26.522 2.172 1.00 33.50 H new ATOM 0 HH21 ARG A 40 4.349 -28.468 2.360 1.00 15.40 H new ATOM 0 HH22 ARG A 40 3.496 -27.191 1.487 1.00 15.40 H new ATOM 656 N SER A 41 1.534 -32.746 8.400 1.00 1.00 N ATOM 657 CA SER A 41 2.487 -33.788 8.764 1.00 2.33 C ATOM 658 C SER A 41 1.934 -35.170 8.432 1.00 63.33 C ATOM 659 O SER A 41 2.661 -36.046 7.960 1.00 4.25 O ATOM 660 CB SER A 41 2.821 -33.705 10.255 1.00 12.51 C ATOM 661 OG SER A 41 3.391 -32.449 10.581 1.00 43.13 O ATOM 0 H SER A 41 1.225 -32.166 9.180 1.00 1.00 H new ATOM 0 HA SER A 41 3.397 -33.631 8.185 1.00 2.33 H new ATOM 0 HB2 SER A 41 1.916 -33.861 10.843 1.00 12.51 H new ATOM 0 HB3 SER A 41 3.515 -34.503 10.520 1.00 12.51 H new ATOM 0 HG SER A 41 2.678 -31.788 10.703 1.00 43.13 H new ATOM 667 N LEU A 42 0.643 -35.359 8.680 1.00 22.43 N ATOM 668 CA LEU A 42 -0.010 -36.635 8.408 1.00 65.33 C ATOM 669 C LEU A 42 0.024 -36.957 6.917 1.00 51.40 C ATOM 670 O LEU A 42 0.352 -38.074 6.520 1.00 21.21 O ATOM 671 CB LEU A 42 -1.457 -36.606 8.902 1.00 23.34 C ATOM 672 CG LEU A 42 -2.368 -37.715 8.376 1.00 33.43 C ATOM 673 CD1 LEU A 42 -3.105 -38.390 9.523 1.00 11.21 C ATOM 674 CD2 LEU A 42 -3.355 -37.158 7.361 1.00 41.05 C ATOM 0 H LEU A 42 0.027 -34.645 9.069 1.00 22.43 H new ATOM 0 HA LEU A 42 0.534 -37.414 8.942 1.00 65.33 H new ATOM 0 HB2 LEU A 42 -1.449 -36.656 9.991 1.00 23.34 H new ATOM 0 HB3 LEU A 42 -1.894 -35.645 8.630 1.00 23.34 H new ATOM 0 HG LEU A 42 -1.749 -38.462 7.879 1.00 33.43 H new ATOM 0 HD11 LEU A 42 -3.749 -39.177 9.129 1.00 11.21 H new ATOM 0 HD12 LEU A 42 -2.383 -38.824 10.214 1.00 11.21 H new ATOM 0 HD13 LEU A 42 -3.713 -37.653 10.049 1.00 11.21 H new ATOM 0 HD21 LEU A 42 -3.995 -37.962 6.997 1.00 41.05 H new ATOM 0 HD22 LEU A 42 -3.968 -36.391 7.833 1.00 41.05 H new ATOM 0 HD23 LEU A 42 -2.809 -36.722 6.524 1.00 41.05 H new ATOM 686 N ALA A 43 -0.316 -35.968 6.096 1.00 20.21 N ATOM 687 CA ALA A 43 -0.321 -36.144 4.649 1.00 23.32 C ATOM 688 C ALA A 43 1.062 -36.538 4.140 1.00 54.14 C ATOM 689 O ALA A 43 1.220 -37.555 3.463 1.00 54.43 O ATOM 690 CB ALA A 43 -0.795 -34.871 3.964 1.00 32.32 C ATOM 0 H ALA A 43 -0.591 -35.037 6.409 1.00 20.21 H new ATOM 0 HA ALA A 43 -1.012 -36.952 4.408 1.00 23.32 H new ATOM 0 HB1 ALA A 43 -0.794 -35.017 2.884 1.00 32.32 H new ATOM 0 HB2 ALA A 43 -1.805 -34.633 4.297 1.00 32.32 H new ATOM 0 HB3 ALA A 43 -0.126 -34.049 4.220 1.00 32.32 H new ATOM 1082 N GLU A 67 -8.982 -37.896 -12.271 1.00 13.15 N ATOM 1083 CA GLU A 67 -8.528 -37.232 -13.487 1.00 24.32 C ATOM 1084 C GLU A 67 -9.437 -37.572 -14.664 1.00 64.34 C ATOM 1085 O GLU A 67 -9.988 -36.684 -15.315 1.00 34.34 O ATOM 1086 CB GLU A 67 -7.087 -37.637 -13.807 1.00 11.21 C ATOM 1087 CG GLU A 67 -6.048 -36.881 -12.996 1.00 11.11 C ATOM 1088 CD GLU A 67 -4.666 -37.495 -13.101 1.00 22.41 C ATOM 1089 OE1 GLU A 67 -4.413 -38.220 -14.087 1.00 4.45 O ATOM 1090 OE2 GLU A 67 -3.838 -37.253 -12.198 1.00 42.24 O ATOM 0 HA GLU A 67 -8.567 -36.156 -13.320 1.00 24.32 H new ATOM 0 HB2 GLU A 67 -6.970 -38.705 -13.626 1.00 11.21 H new ATOM 0 HB3 GLU A 67 -6.899 -37.471 -14.868 1.00 11.21 H new ATOM 0 HG2 GLU A 67 -6.009 -35.847 -13.337 1.00 11.11 H new ATOM 0 HG3 GLU A 67 -6.354 -36.860 -11.950 1.00 11.11 H new ATOM 1097 N LYS A 68 -9.587 -38.865 -14.934 1.00 15.33 N ATOM 1098 CA LYS A 68 -10.429 -39.325 -16.032 1.00 13.32 C ATOM 1099 C LYS A 68 -11.844 -38.769 -15.902 1.00 70.43 C ATOM 1100 O LYS A 68 -12.437 -38.322 -16.883 1.00 53.21 O ATOM 1101 CB LYS A 68 -10.471 -40.854 -16.063 1.00 72.14 C ATOM 1102 CG LYS A 68 -10.278 -41.439 -17.452 1.00 24.45 C ATOM 1103 CD LYS A 68 -11.200 -42.623 -17.691 1.00 53.45 C ATOM 1104 CE LYS A 68 -12.658 -42.192 -17.741 1.00 11.45 C ATOM 1105 NZ LYS A 68 -13.381 -42.808 -18.888 1.00 25.15 N ATOM 0 H LYS A 68 -9.136 -39.613 -14.407 1.00 15.33 H new ATOM 0 HA LYS A 68 -9.999 -38.961 -16.965 1.00 13.32 H new ATOM 0 HB2 LYS A 68 -9.696 -41.244 -15.403 1.00 72.14 H new ATOM 0 HB3 LYS A 68 -11.428 -41.191 -15.665 1.00 72.14 H new ATOM 0 HG2 LYS A 68 -10.469 -40.671 -18.201 1.00 24.45 H new ATOM 0 HG3 LYS A 68 -9.241 -41.753 -17.575 1.00 24.45 H new ATOM 0 HD2 LYS A 68 -10.931 -43.112 -18.628 1.00 53.45 H new ATOM 0 HD3 LYS A 68 -11.064 -43.358 -16.898 1.00 53.45 H new ATOM 0 HE2 LYS A 68 -13.151 -42.471 -16.810 1.00 11.45 H new ATOM 0 HE3 LYS A 68 -12.713 -41.106 -17.818 1.00 11.45 H new ATOM 0 HZ1 LYS A 68 -14.371 -42.489 -18.886 1.00 25.15 H new ATOM 0 HZ2 LYS A 68 -12.927 -42.522 -19.779 1.00 25.15 H new ATOM 0 HZ3 LYS A 68 -13.351 -43.844 -18.801 1.00 25.15 H new ATOM 1119 N ALA A 69 -12.378 -38.801 -14.686 1.00 0.53 N ATOM 1120 CA ALA A 69 -13.721 -38.297 -14.428 1.00 34.10 C ATOM 1121 C ALA A 69 -13.770 -36.777 -14.546 1.00 32.53 C ATOM 1122 O ALA A 69 -14.842 -36.191 -14.701 1.00 25.45 O ATOM 1123 CB ALA A 69 -14.195 -38.737 -13.051 1.00 23.15 C ATOM 0 H ALA A 69 -11.901 -39.171 -13.864 1.00 0.53 H new ATOM 0 HA ALA A 69 -14.389 -38.715 -15.181 1.00 34.10 H new ATOM 0 HB1 ALA A 69 -15.199 -38.353 -12.872 1.00 23.15 H new ATOM 0 HB2 ALA A 69 -14.208 -39.826 -13.002 1.00 23.15 H new ATOM 0 HB3 ALA A 69 -13.517 -38.348 -12.291 1.00 23.15 H new ATOM 1129 N SER A 70 -12.603 -36.145 -14.471 1.00 15.03 N ATOM 1130 CA SER A 70 -12.514 -34.693 -14.564 1.00 50.54 C ATOM 1131 C SER A 70 -11.765 -34.275 -15.826 1.00 54.34 C ATOM 1132 O SER A 70 -11.445 -33.100 -16.012 1.00 3.11 O ATOM 1133 CB SER A 70 -11.813 -34.123 -13.330 1.00 1.14 C ATOM 1134 OG SER A 70 -12.504 -34.473 -12.143 1.00 74.44 O ATOM 0 H SER A 70 -11.707 -36.616 -14.346 1.00 15.03 H new ATOM 0 HA SER A 70 -13.527 -34.294 -14.614 1.00 50.54 H new ATOM 0 HB2 SER A 70 -10.791 -34.498 -13.283 1.00 1.14 H new ATOM 0 HB3 SER A 70 -11.751 -33.038 -13.412 1.00 1.14 H new ATOM 0 HG SER A 70 -12.035 -34.098 -11.369 1.00 74.44 H new ATOM 1140 N LEU A 71 -11.490 -35.244 -16.691 1.00 62.44 N ATOM 1141 CA LEU A 71 -10.779 -34.979 -17.937 1.00 63.12 C ATOM 1142 C LEU A 71 -11.599 -35.433 -19.140 1.00 74.30 C ATOM 1143 O LEU A 71 -11.359 -35.002 -20.268 1.00 74.24 O ATOM 1144 CB LEU A 71 -9.423 -35.687 -17.934 1.00 44.11 C ATOM 1145 CG LEU A 71 -8.214 -34.821 -17.578 1.00 12.44 C ATOM 1146 CD1 LEU A 71 -8.229 -34.466 -16.099 1.00 31.12 C ATOM 1147 CD2 LEU A 71 -6.920 -35.533 -17.944 1.00 74.11 C ATOM 0 H LEU A 71 -11.748 -36.221 -16.553 1.00 62.44 H new ATOM 0 HA LEU A 71 -10.621 -33.903 -18.014 1.00 63.12 H new ATOM 0 HB2 LEU A 71 -9.471 -36.517 -17.229 1.00 44.11 H new ATOM 0 HB3 LEU A 71 -9.258 -36.117 -18.922 1.00 44.11 H new ATOM 0 HG LEU A 71 -8.272 -33.897 -18.154 1.00 12.44 H new ATOM 0 HD11 LEU A 71 -7.361 -33.850 -15.864 1.00 31.12 H new ATOM 0 HD12 LEU A 71 -9.140 -33.914 -15.866 1.00 31.12 H new ATOM 0 HD13 LEU A 71 -8.197 -35.379 -15.505 1.00 31.12 H new ATOM 0 HD21 LEU A 71 -6.071 -34.901 -17.683 1.00 74.11 H new ATOM 0 HD22 LEU A 71 -6.855 -36.473 -17.396 1.00 74.11 H new ATOM 0 HD23 LEU A 71 -6.906 -35.735 -19.015 1.00 74.11 H new ATOM 1159 N THR A 72 -12.571 -36.306 -18.892 1.00 14.35 N ATOM 1160 CA THR A 72 -13.429 -36.818 -19.953 1.00 42.31 C ATOM 1161 C THR A 72 -13.762 -35.727 -20.965 1.00 23.30 C ATOM 1162 O THR A 72 -13.583 -35.909 -22.168 1.00 43.24 O ATOM 1163 CB THR A 72 -14.740 -37.395 -19.387 1.00 50.41 C ATOM 1164 OG1 THR A 72 -15.206 -36.582 -18.304 1.00 25.02 O ATOM 1165 CG2 THR A 72 -14.539 -38.824 -18.906 1.00 12.32 C ATOM 0 H THR A 72 -12.783 -36.673 -17.964 1.00 14.35 H new ATOM 0 HA THR A 72 -12.875 -37.615 -20.450 1.00 42.31 H new ATOM 0 HB THR A 72 -15.484 -37.398 -20.184 1.00 50.41 H new ATOM 0 HG1 THR A 72 -16.041 -36.955 -17.951 1.00 25.02 H new ATOM 0 HG21 THR A 72 -15.478 -39.210 -18.511 1.00 12.32 H new ATOM 0 HG22 THR A 72 -14.213 -39.446 -19.740 1.00 12.32 H new ATOM 0 HG23 THR A 72 -13.781 -38.841 -18.123 1.00 12.32 H new ATOM 1173 N ASN A 73 -14.246 -34.594 -20.468 1.00 54.35 N ATOM 1174 CA ASN A 73 -14.604 -33.473 -21.330 1.00 72.05 C ATOM 1175 C ASN A 73 -14.172 -32.149 -20.708 1.00 51.45 C ATOM 1176 O ASN A 73 -14.878 -31.144 -20.807 1.00 41.03 O ATOM 1177 CB ASN A 73 -16.113 -33.461 -21.586 1.00 43.05 C ATOM 1178 CG ASN A 73 -16.860 -34.422 -20.682 1.00 53.40 C ATOM 1179 OD1 ASN A 73 -17.121 -35.566 -21.054 1.00 12.13 O ATOM 1180 ND2 ASN A 73 -17.209 -33.959 -19.487 1.00 51.12 N ATOM 0 H ASN A 73 -14.399 -34.427 -19.473 1.00 54.35 H new ATOM 0 HA ASN A 73 -14.082 -33.596 -22.279 1.00 72.05 H new ATOM 0 HB2 ASN A 73 -16.496 -32.452 -21.435 1.00 43.05 H new ATOM 0 HB3 ASN A 73 -16.304 -33.722 -22.627 1.00 43.05 H new ATOM 0 HD21 ASN A 73 -17.715 -34.559 -18.835 1.00 51.12 H new ATOM 0 HD22 ASN A 73 -16.971 -33.003 -19.221 1.00 51.12 H new ATOM 1187 N LEU A 74 -13.008 -32.154 -20.068 1.00 72.12 N ATOM 1188 CA LEU A 74 -12.480 -30.953 -19.430 1.00 74.10 C ATOM 1189 C LEU A 74 -11.098 -30.610 -19.975 1.00 3.11 C ATOM 1190 O LEU A 74 -10.346 -29.853 -19.360 1.00 41.40 O ATOM 1191 CB LEU A 74 -12.410 -31.146 -17.914 1.00 54.12 C ATOM 1192 CG LEU A 74 -13.686 -31.655 -17.243 1.00 14.34 C ATOM 1193 CD1 LEU A 74 -13.684 -31.309 -15.762 1.00 34.14 C ATOM 1194 CD2 LEU A 74 -14.916 -31.075 -17.926 1.00 13.32 C ATOM 0 H LEU A 74 -12.412 -32.976 -19.977 1.00 72.12 H new ATOM 0 HA LEU A 74 -13.154 -30.126 -19.654 1.00 74.10 H new ATOM 0 HB2 LEU A 74 -11.604 -31.846 -17.694 1.00 54.12 H new ATOM 0 HB3 LEU A 74 -12.139 -30.193 -17.459 1.00 54.12 H new ATOM 0 HG LEU A 74 -13.718 -32.740 -17.342 1.00 14.34 H new ATOM 0 HD11 LEU A 74 -14.600 -31.679 -15.301 1.00 34.14 H new ATOM 0 HD12 LEU A 74 -12.823 -31.773 -15.281 1.00 34.14 H new ATOM 0 HD13 LEU A 74 -13.628 -30.227 -15.641 1.00 34.14 H new ATOM 0 HD21 LEU A 74 -15.815 -31.448 -17.435 1.00 13.32 H new ATOM 0 HD22 LEU A 74 -14.891 -29.987 -17.859 1.00 13.32 H new ATOM 0 HD23 LEU A 74 -14.925 -31.373 -18.974 1.00 13.32 H new ATOM 1206 N THR A 75 -10.768 -31.170 -21.134 1.00 71.55 N ATOM 1207 CA THR A 75 -9.477 -30.923 -21.763 1.00 62.43 C ATOM 1208 C THR A 75 -9.416 -31.541 -23.156 1.00 11.23 C ATOM 1209 O THR A 75 -9.957 -32.618 -23.408 1.00 1.24 O ATOM 1210 CB THR A 75 -8.322 -31.486 -20.914 1.00 25.02 C ATOM 1211 OG1 THR A 75 -8.844 -32.251 -19.822 1.00 2.12 O ATOM 1212 CG2 THR A 75 -7.446 -30.363 -20.380 1.00 4.22 C ATOM 0 H THR A 75 -11.378 -31.799 -21.657 1.00 71.55 H new ATOM 0 HA THR A 75 -9.367 -29.842 -21.843 1.00 62.43 H new ATOM 0 HB THR A 75 -7.713 -32.129 -21.549 1.00 25.02 H new ATOM 0 HG1 THR A 75 -8.545 -31.858 -18.975 1.00 2.12 H new ATOM 0 HG21 THR A 75 -6.637 -30.785 -19.783 1.00 4.22 H new ATOM 0 HG22 THR A 75 -7.027 -29.801 -21.214 1.00 4.22 H new ATOM 0 HG23 THR A 75 -8.046 -29.698 -19.759 1.00 4.22 H new ATOM 1220 N PRO A 76 -8.742 -30.845 -24.083 1.00 70.15 N ATOM 1221 CA PRO A 76 -8.594 -31.307 -25.467 1.00 23.23 C ATOM 1222 C PRO A 76 -7.682 -32.525 -25.576 1.00 54.15 C ATOM 1223 O PRO A 76 -7.930 -33.426 -26.377 1.00 43.34 O ATOM 1224 CB PRO A 76 -7.967 -30.105 -26.177 1.00 54.32 C ATOM 1225 CG PRO A 76 -7.258 -29.357 -25.102 1.00 3.21 C ATOM 1226 CD PRO A 76 -8.072 -29.554 -23.853 1.00 53.04 C ATOM 0 HA PRO A 76 -9.545 -31.624 -25.895 1.00 23.23 H new ATOM 0 HB2 PRO A 76 -7.277 -30.423 -26.959 1.00 54.32 H new ATOM 0 HB3 PRO A 76 -8.727 -29.487 -26.654 1.00 54.32 H new ATOM 0 HG2 PRO A 76 -6.243 -29.733 -24.970 1.00 3.21 H new ATOM 0 HG3 PRO A 76 -7.176 -28.299 -25.352 1.00 3.21 H new ATOM 0 HD2 PRO A 76 -7.443 -29.581 -22.963 1.00 53.04 H new ATOM 0 HD3 PRO A 76 -8.791 -28.748 -23.711 1.00 53.04 H new ATOM 1234 N GLU A 77 -6.629 -32.545 -24.766 1.00 45.33 N ATOM 1235 CA GLU A 77 -5.681 -33.653 -24.774 1.00 44.31 C ATOM 1236 C GLU A 77 -6.409 -34.992 -24.722 1.00 73.54 C ATOM 1237 O GLU A 77 -5.968 -35.976 -25.319 1.00 53.54 O ATOM 1238 CB GLU A 77 -4.718 -33.537 -23.591 1.00 23.54 C ATOM 1239 CG GLU A 77 -3.387 -32.898 -23.949 1.00 2.02 C ATOM 1240 CD GLU A 77 -2.252 -33.380 -23.066 1.00 43.41 C ATOM 1241 OE1 GLU A 77 -1.896 -34.573 -23.155 1.00 64.10 O ATOM 1242 OE2 GLU A 77 -1.719 -32.562 -22.286 1.00 55.03 O ATOM 0 H GLU A 77 -6.411 -31.807 -24.096 1.00 45.33 H new ATOM 0 HA GLU A 77 -5.112 -33.605 -25.703 1.00 44.31 H new ATOM 0 HB2 GLU A 77 -5.192 -32.951 -22.804 1.00 23.54 H new ATOM 0 HB3 GLU A 77 -4.536 -34.531 -23.183 1.00 23.54 H new ATOM 0 HG2 GLU A 77 -3.151 -33.118 -24.990 1.00 2.02 H new ATOM 0 HG3 GLU A 77 -3.474 -31.815 -23.864 1.00 2.02 H new ATOM 1249 N LEU A 78 -7.527 -35.024 -24.005 1.00 23.04 N ATOM 1250 CA LEU A 78 -8.318 -36.243 -23.874 1.00 3.25 C ATOM 1251 C LEU A 78 -9.000 -36.594 -25.192 1.00 3.30 C ATOM 1252 O LEU A 78 -8.725 -37.636 -25.788 1.00 10.42 O ATOM 1253 CB LEU A 78 -9.366 -36.078 -22.772 1.00 11.20 C ATOM 1254 CG LEU A 78 -8.885 -36.334 -21.343 1.00 43.24 C ATOM 1255 CD1 LEU A 78 -8.141 -37.658 -21.260 1.00 15.02 C ATOM 1256 CD2 LEU A 78 -7.999 -35.192 -20.866 1.00 50.03 C ATOM 0 H LEU A 78 -7.906 -34.220 -23.505 1.00 23.04 H new ATOM 0 HA LEU A 78 -7.644 -37.057 -23.607 1.00 3.25 H new ATOM 0 HB2 LEU A 78 -9.762 -35.064 -22.824 1.00 11.20 H new ATOM 0 HB3 LEU A 78 -10.194 -36.755 -22.982 1.00 11.20 H new ATOM 0 HG LEU A 78 -9.757 -36.388 -20.691 1.00 43.24 H new ATOM 0 HD11 LEU A 78 -7.806 -37.824 -20.236 1.00 15.02 H new ATOM 0 HD12 LEU A 78 -8.806 -38.468 -21.560 1.00 15.02 H new ATOM 0 HD13 LEU A 78 -7.277 -37.632 -21.925 1.00 15.02 H new ATOM 0 HD21 LEU A 78 -7.666 -35.391 -19.847 1.00 50.03 H new ATOM 0 HD22 LEU A 78 -7.132 -35.106 -21.521 1.00 50.03 H new ATOM 0 HD23 LEU A 78 -8.564 -34.260 -20.888 1.00 50.03 H new ATOM 1268 N LYS A 79 -9.889 -35.716 -25.644 1.00 31.10 N ATOM 1269 CA LYS A 79 -10.609 -35.930 -26.894 1.00 23.11 C ATOM 1270 C LYS A 79 -9.664 -36.411 -27.991 1.00 4.55 C ATOM 1271 O LYS A 79 -10.028 -37.251 -28.812 1.00 63.13 O ATOM 1272 CB LYS A 79 -11.303 -34.639 -27.334 1.00 32.31 C ATOM 1273 CG LYS A 79 -12.497 -34.266 -26.472 1.00 23.44 C ATOM 1274 CD LYS A 79 -13.330 -33.172 -27.117 1.00 35.13 C ATOM 1275 CE LYS A 79 -12.837 -31.789 -26.721 1.00 13.14 C ATOM 1276 NZ LYS A 79 -13.823 -30.728 -27.069 1.00 5.11 N ATOM 0 H LYS A 79 -10.128 -34.849 -25.163 1.00 31.10 H new ATOM 0 HA LYS A 79 -11.361 -36.700 -26.724 1.00 23.11 H new ATOM 0 HB2 LYS A 79 -10.581 -33.823 -27.313 1.00 32.31 H new ATOM 0 HB3 LYS A 79 -11.631 -34.747 -28.368 1.00 32.31 H new ATOM 0 HG2 LYS A 79 -13.117 -35.147 -26.307 1.00 23.44 H new ATOM 0 HG3 LYS A 79 -12.151 -33.932 -25.494 1.00 23.44 H new ATOM 0 HD2 LYS A 79 -13.292 -33.276 -28.201 1.00 35.13 H new ATOM 0 HD3 LYS A 79 -14.373 -33.286 -26.822 1.00 35.13 H new ATOM 0 HE2 LYS A 79 -12.642 -31.766 -25.649 1.00 13.14 H new ATOM 0 HE3 LYS A 79 -11.891 -31.584 -27.221 1.00 13.14 H new ATOM 0 HZ1 LYS A 79 -13.450 -29.800 -26.783 1.00 5.11 H new ATOM 0 HZ2 LYS A 79 -13.990 -30.733 -28.095 1.00 5.11 H new ATOM 0 HZ3 LYS A 79 -14.718 -30.909 -26.572 1.00 5.11 H new ATOM 1290 N ALA A 80 -8.448 -35.872 -27.996 1.00 35.31 N ATOM 1291 CA ALA A 80 -7.450 -36.249 -28.989 1.00 74.02 C ATOM 1292 C ALA A 80 -6.947 -37.669 -28.751 1.00 12.44 C ATOM 1293 O ALA A 80 -6.875 -38.476 -29.677 1.00 40.33 O ATOM 1294 CB ALA A 80 -6.290 -35.265 -28.971 1.00 22.44 C ATOM 0 H ALA A 80 -8.131 -35.173 -27.324 1.00 35.31 H new ATOM 0 HA ALA A 80 -7.921 -36.219 -29.971 1.00 74.02 H new ATOM 0 HB1 ALA A 80 -5.552 -35.559 -29.718 1.00 22.44 H new ATOM 0 HB2 ALA A 80 -6.658 -34.265 -29.199 1.00 22.44 H new ATOM 0 HB3 ALA A 80 -5.828 -35.266 -27.984 1.00 22.44 H new ATOM 1300 N SER A 81 -6.600 -37.966 -27.503 1.00 25.52 N ATOM 1301 CA SER A 81 -6.098 -39.288 -27.144 1.00 14.14 C ATOM 1302 C SER A 81 -7.154 -40.358 -27.404 1.00 22.40 C ATOM 1303 O SER A 81 -6.865 -41.400 -27.992 1.00 41.14 O ATOM 1304 CB SER A 81 -5.680 -39.315 -25.672 1.00 70.32 C ATOM 1305 OG SER A 81 -4.441 -38.655 -25.482 1.00 1.40 O ATOM 0 H SER A 81 -6.657 -37.310 -26.724 1.00 25.52 H new ATOM 0 HA SER A 81 -5.228 -39.501 -27.765 1.00 14.14 H new ATOM 0 HB2 SER A 81 -6.448 -38.836 -25.064 1.00 70.32 H new ATOM 0 HB3 SER A 81 -5.602 -40.348 -25.332 1.00 70.32 H new ATOM 0 HG SER A 81 -4.595 -37.692 -25.388 1.00 1.40 H new ATOM 1311 N MET A 82 -8.378 -40.093 -26.961 1.00 33.22 N ATOM 1312 CA MET A 82 -9.478 -41.033 -27.147 1.00 10.24 C ATOM 1313 C MET A 82 -9.809 -41.197 -28.627 1.00 11.54 C ATOM 1314 O MET A 82 -10.072 -42.305 -29.095 1.00 3.53 O ATOM 1315 CB MET A 82 -10.717 -40.558 -26.384 1.00 63.44 C ATOM 1316 CG MET A 82 -10.413 -40.061 -24.981 1.00 2.43 C ATOM 1317 SD MET A 82 -11.530 -40.748 -23.743 1.00 43.41 S ATOM 1318 CE MET A 82 -10.595 -42.175 -23.199 1.00 22.14 C ATOM 0 H MET A 82 -8.634 -39.236 -26.471 1.00 33.22 H new ATOM 0 HA MET A 82 -9.167 -42.001 -26.754 1.00 10.24 H new ATOM 0 HB2 MET A 82 -11.196 -39.758 -26.948 1.00 63.44 H new ATOM 0 HB3 MET A 82 -11.433 -41.378 -26.323 1.00 63.44 H new ATOM 0 HG2 MET A 82 -9.386 -40.321 -24.722 1.00 2.43 H new ATOM 0 HG3 MET A 82 -10.481 -38.973 -24.962 1.00 2.43 H new ATOM 0 HE1 MET A 82 -11.156 -42.706 -22.430 1.00 22.14 H new ATOM 0 HE2 MET A 82 -10.420 -42.840 -24.045 1.00 22.14 H new ATOM 0 HE3 MET A 82 -9.639 -41.849 -22.790 1.00 22.14 H new ATOM 1328 N ASP A 83 -9.795 -40.087 -29.357 1.00 70.35 N ATOM 1329 CA ASP A 83 -10.093 -40.108 -30.785 1.00 31.41 C ATOM 1330 C ASP A 83 -9.087 -40.973 -31.537 1.00 62.44 C ATOM 1331 O ASP A 83 -9.451 -41.714 -32.450 1.00 54.32 O ATOM 1332 CB ASP A 83 -10.086 -38.687 -31.350 1.00 71.21 C ATOM 1333 CG ASP A 83 -11.415 -37.983 -31.162 1.00 11.44 C ATOM 1334 OD1 ASP A 83 -12.371 -38.635 -30.692 1.00 43.03 O ATOM 1335 OD2 ASP A 83 -11.500 -36.779 -31.484 1.00 40.13 O ATOM 0 H ASP A 83 -9.581 -39.162 -28.984 1.00 70.35 H new ATOM 0 HA ASP A 83 -11.086 -40.538 -30.918 1.00 31.41 H new ATOM 0 HB2 ASP A 83 -9.300 -38.109 -30.863 1.00 71.21 H new ATOM 0 HB3 ASP A 83 -9.844 -38.723 -32.412 1.00 71.21 H new ATOM 1340 N GLU A 84 -7.820 -40.873 -31.148 1.00 43.33 N ATOM 1341 CA GLU A 84 -6.761 -41.645 -31.788 1.00 51.12 C ATOM 1342 C GLU A 84 -6.855 -43.119 -31.405 1.00 33.00 C ATOM 1343 O GLU A 84 -6.593 -44.003 -32.222 1.00 2.30 O ATOM 1344 CB GLU A 84 -5.389 -41.092 -31.398 1.00 42.11 C ATOM 1345 CG GLU A 84 -4.866 -40.032 -32.353 1.00 63.21 C ATOM 1346 CD GLU A 84 -3.429 -40.280 -32.770 1.00 21.24 C ATOM 1347 OE1 GLU A 84 -2.558 -40.363 -31.879 1.00 32.25 O ATOM 1348 OE2 GLU A 84 -3.176 -40.392 -33.988 1.00 2.45 O ATOM 0 H GLU A 84 -7.502 -40.265 -30.393 1.00 43.33 H new ATOM 0 HA GLU A 84 -6.886 -41.559 -32.867 1.00 51.12 H new ATOM 0 HB2 GLU A 84 -5.449 -40.668 -30.396 1.00 42.11 H new ATOM 0 HB3 GLU A 84 -4.674 -41.914 -31.354 1.00 42.11 H new ATOM 0 HG2 GLU A 84 -5.498 -40.004 -33.240 1.00 63.21 H new ATOM 0 HG3 GLU A 84 -4.939 -39.053 -31.879 1.00 63.21 H new ATOM 1355 N LEU A 85 -7.231 -43.377 -30.157 1.00 41.21 N ATOM 1356 CA LEU A 85 -7.360 -44.744 -29.664 1.00 3.43 C ATOM 1357 C LEU A 85 -8.598 -45.418 -30.246 1.00 24.32 C ATOM 1358 O LEU A 85 -8.599 -46.623 -30.500 1.00 4.11 O ATOM 1359 CB LEU A 85 -7.432 -44.750 -28.136 1.00 20.52 C ATOM 1360 CG LEU A 85 -6.117 -45.018 -27.403 1.00 20.22 C ATOM 1361 CD1 LEU A 85 -5.380 -43.715 -27.136 1.00 21.14 C ATOM 1362 CD2 LEU A 85 -6.374 -45.764 -26.102 1.00 20.24 C ATOM 0 H LEU A 85 -7.452 -42.658 -29.468 1.00 41.21 H new ATOM 0 HA LEU A 85 -6.481 -45.304 -29.983 1.00 3.43 H new ATOM 0 HB2 LEU A 85 -7.818 -43.785 -27.807 1.00 20.52 H new ATOM 0 HB3 LEU A 85 -8.156 -45.505 -27.829 1.00 20.52 H new ATOM 0 HG LEU A 85 -5.490 -45.643 -28.039 1.00 20.22 H new ATOM 0 HD11 LEU A 85 -4.447 -43.925 -26.614 1.00 21.14 H new ATOM 0 HD12 LEU A 85 -5.163 -43.219 -28.082 1.00 21.14 H new ATOM 0 HD13 LEU A 85 -6.002 -43.065 -26.520 1.00 21.14 H new ATOM 0 HD21 LEU A 85 -5.427 -45.946 -25.594 1.00 20.24 H new ATOM 0 HD22 LEU A 85 -7.021 -45.165 -25.461 1.00 20.24 H new ATOM 0 HD23 LEU A 85 -6.859 -46.716 -26.318 1.00 20.24 H new ATOM 1374 N ARG A 86 -9.649 -44.633 -30.456 1.00 71.35 N ATOM 1375 CA ARG A 86 -10.893 -45.155 -31.010 1.00 11.42 C ATOM 1376 C ARG A 86 -10.737 -45.473 -32.494 1.00 2.21 C ATOM 1377 O ARG A 86 -11.087 -46.563 -32.944 1.00 71.23 O ATOM 1378 CB ARG A 86 -12.027 -44.147 -30.810 1.00 21.21 C ATOM 1379 CG ARG A 86 -13.385 -44.794 -30.592 1.00 50.13 C ATOM 1380 CD ARG A 86 -14.088 -44.216 -29.374 1.00 75.12 C ATOM 1381 NE ARG A 86 -15.443 -43.768 -29.686 1.00 1.51 N ATOM 1382 CZ ARG A 86 -16.392 -43.604 -28.771 1.00 3.03 C ATOM 1383 NH1 ARG A 86 -16.135 -43.850 -27.494 1.00 30.35 N ATOM 1384 NH2 ARG A 86 -17.600 -43.193 -29.132 1.00 53.45 N ATOM 0 H ARG A 86 -9.664 -43.634 -30.251 1.00 71.35 H new ATOM 0 HA ARG A 86 -11.137 -46.077 -30.483 1.00 11.42 H new ATOM 0 HB2 ARG A 86 -11.793 -43.515 -29.953 1.00 21.21 H new ATOM 0 HB3 ARG A 86 -12.080 -43.495 -31.682 1.00 21.21 H new ATOM 0 HG2 ARG A 86 -14.006 -44.646 -31.476 1.00 50.13 H new ATOM 0 HG3 ARG A 86 -13.261 -45.869 -30.466 1.00 50.13 H new ATOM 0 HD2 ARG A 86 -14.127 -44.969 -28.587 1.00 75.12 H new ATOM 0 HD3 ARG A 86 -13.510 -43.378 -28.985 1.00 75.12 H new ATOM 0 HE ARG A 86 -15.673 -43.570 -30.660 1.00 1.51 H new ATOM 0 HH11 ARG A 86 -15.207 -44.166 -27.212 1.00 30.35 H new ATOM 0 HH12 ARG A 86 -16.865 -43.723 -26.793 1.00 30.35 H new ATOM 0 HH21 ARG A 86 -17.802 -43.002 -30.114 1.00 53.45 H new ATOM 0 HH22 ARG A 86 -18.328 -43.068 -28.428 1.00 53.45 H new ATOM 1398 N GLN A 87 -10.209 -44.513 -33.247 1.00 75.22 N ATOM 1399 CA GLN A 87 -10.008 -44.691 -34.680 1.00 74.34 C ATOM 1400 C GLN A 87 -9.008 -45.809 -34.955 1.00 21.21 C ATOM 1401 O GLN A 87 -9.212 -46.633 -35.846 1.00 0.00 O ATOM 1402 CB GLN A 87 -9.521 -43.387 -35.314 1.00 62.44 C ATOM 1403 CG GLN A 87 -10.504 -42.236 -35.171 1.00 25.52 C ATOM 1404 CD GLN A 87 -11.083 -41.795 -36.500 1.00 54.01 C ATOM 1405 OE1 GLN A 87 -11.968 -42.450 -37.053 1.00 3.31 O ATOM 1406 NE2 GLN A 87 -10.587 -40.679 -37.021 1.00 54.22 N ATOM 0 H GLN A 87 -9.913 -43.605 -32.889 1.00 75.22 H new ATOM 0 HA GLN A 87 -10.964 -44.967 -35.124 1.00 74.34 H new ATOM 0 HB2 GLN A 87 -8.573 -43.103 -34.857 1.00 62.44 H new ATOM 0 HB3 GLN A 87 -9.326 -43.558 -36.373 1.00 62.44 H new ATOM 0 HG2 GLN A 87 -11.315 -42.536 -34.507 1.00 25.52 H new ATOM 0 HG3 GLN A 87 -10.002 -41.391 -34.699 1.00 25.52 H new ATOM 0 HE21 GLN A 87 -9.854 -40.168 -36.529 1.00 54.22 H new ATOM 0 HE22 GLN A 87 -10.939 -40.333 -37.914 1.00 54.22 H new ATOM 1415 N ALA A 88 -7.926 -45.831 -34.183 1.00 50.03 N ATOM 1416 CA ALA A 88 -6.895 -46.849 -34.342 1.00 44.44 C ATOM 1417 C ALA A 88 -7.420 -48.228 -33.959 1.00 54.31 C ATOM 1418 O ALA A 88 -7.176 -49.212 -34.657 1.00 5.54 O ATOM 1419 CB ALA A 88 -5.673 -46.497 -33.507 1.00 44.40 C ATOM 0 H ALA A 88 -7.741 -45.155 -33.442 1.00 50.03 H new ATOM 0 HA ALA A 88 -6.608 -46.878 -35.393 1.00 44.44 H new ATOM 0 HB1 ALA A 88 -4.911 -47.266 -33.635 1.00 44.40 H new ATOM 0 HB2 ALA A 88 -5.276 -45.535 -33.831 1.00 44.40 H new ATOM 0 HB3 ALA A 88 -5.955 -46.438 -32.456 1.00 44.40 H new ATOM 1425 N ALA A 89 -8.143 -48.292 -32.846 1.00 14.12 N ATOM 1426 CA ALA A 89 -8.705 -49.550 -32.371 1.00 24.51 C ATOM 1427 C ALA A 89 -9.802 -50.049 -33.305 1.00 30.32 C ATOM 1428 O ALA A 89 -9.866 -51.236 -33.623 1.00 33.35 O ATOM 1429 CB ALA A 89 -9.245 -49.388 -30.958 1.00 11.50 C ATOM 0 H ALA A 89 -8.353 -47.487 -32.256 1.00 14.12 H new ATOM 0 HA ALA A 89 -7.908 -50.293 -32.360 1.00 24.51 H new ATOM 0 HB1 ALA A 89 -9.662 -50.336 -30.617 1.00 11.50 H new ATOM 0 HB2 ALA A 89 -8.437 -49.086 -30.292 1.00 11.50 H new ATOM 0 HB3 ALA A 89 -10.024 -48.626 -30.951 1.00 11.50 H new ATOM 1435 N GLU A 90 -10.663 -49.135 -33.740 1.00 52.03 N ATOM 1436 CA GLU A 90 -11.759 -49.484 -34.637 1.00 21.22 C ATOM 1437 C GLU A 90 -11.232 -49.866 -36.017 1.00 42.11 C ATOM 1438 O GLU A 90 -11.605 -50.899 -36.572 1.00 73.30 O ATOM 1439 CB GLU A 90 -12.740 -48.316 -34.758 1.00 61.34 C ATOM 1440 CG GLU A 90 -13.761 -48.260 -33.635 1.00 11.32 C ATOM 1441 CD GLU A 90 -14.503 -46.938 -33.587 1.00 21.03 C ATOM 1442 OE1 GLU A 90 -14.003 -45.956 -34.175 1.00 72.32 O ATOM 1443 OE2 GLU A 90 -15.582 -46.885 -32.961 1.00 31.11 O ATOM 0 H GLU A 90 -10.623 -48.148 -33.486 1.00 52.03 H new ATOM 0 HA GLU A 90 -12.280 -50.344 -34.216 1.00 21.22 H new ATOM 0 HB2 GLU A 90 -12.179 -47.382 -34.775 1.00 61.34 H new ATOM 0 HB3 GLU A 90 -13.264 -48.390 -35.711 1.00 61.34 H new ATOM 0 HG2 GLU A 90 -14.479 -49.071 -33.761 1.00 11.32 H new ATOM 0 HG3 GLU A 90 -13.257 -48.425 -32.682 1.00 11.32 H new ATOM 1450 N SER A 91 -10.362 -49.024 -36.566 1.00 11.43 N ATOM 1451 CA SER A 91 -9.786 -49.269 -37.883 1.00 35.43 C ATOM 1452 C SER A 91 -9.076 -50.619 -37.922 1.00 32.11 C ATOM 1453 O SER A 91 -9.224 -51.383 -38.875 1.00 51.03 O ATOM 1454 CB SER A 91 -8.806 -48.154 -38.251 1.00 15.34 C ATOM 1455 OG SER A 91 -7.636 -48.220 -37.454 1.00 52.23 O ATOM 0 H SER A 91 -10.040 -48.166 -36.119 1.00 11.43 H new ATOM 0 HA SER A 91 -10.598 -49.283 -38.610 1.00 35.43 H new ATOM 0 HB2 SER A 91 -8.537 -48.235 -39.304 1.00 15.34 H new ATOM 0 HB3 SER A 91 -9.286 -47.185 -38.118 1.00 15.34 H new ATOM 0 HG SER A 91 -7.821 -47.840 -36.570 1.00 52.23 H new ATOM 1461 N MET A 92 -8.305 -50.905 -36.878 1.00 65.03 N ATOM 1462 CA MET A 92 -7.572 -52.163 -36.792 1.00 43.12 C ATOM 1463 C MET A 92 -8.530 -53.344 -36.675 1.00 12.42 C ATOM 1464 O MET A 92 -8.374 -54.354 -37.360 1.00 61.25 O ATOM 1465 CB MET A 92 -6.620 -52.142 -35.594 1.00 71.44 C ATOM 1466 CG MET A 92 -5.228 -51.633 -35.933 1.00 33.44 C ATOM 1467 SD MET A 92 -4.385 -50.919 -34.508 1.00 22.10 S ATOM 1468 CE MET A 92 -4.760 -52.135 -33.247 1.00 53.15 C ATOM 0 H MET A 92 -8.172 -50.283 -36.080 1.00 65.03 H new ATOM 0 HA MET A 92 -6.991 -52.279 -37.707 1.00 43.12 H new ATOM 0 HB2 MET A 92 -7.047 -51.514 -34.812 1.00 71.44 H new ATOM 0 HB3 MET A 92 -6.540 -53.150 -35.186 1.00 71.44 H new ATOM 0 HG2 MET A 92 -4.631 -52.455 -36.329 1.00 33.44 H new ATOM 0 HG3 MET A 92 -5.301 -50.883 -36.721 1.00 33.44 H new ATOM 0 HE1 MET A 92 -4.068 -52.020 -32.413 1.00 53.15 H new ATOM 0 HE2 MET A 92 -5.781 -51.990 -32.894 1.00 53.15 H new ATOM 0 HE3 MET A 92 -4.660 -53.136 -33.666 1.00 53.15 H new ATOM 1478 N LYS A 93 -9.523 -53.210 -35.801 1.00 45.24 N ATOM 1479 CA LYS A 93 -10.508 -54.265 -35.594 1.00 44.42 C ATOM 1480 C LYS A 93 -11.370 -54.456 -36.838 1.00 3.11 C ATOM 1481 O LYS A 93 -11.966 -55.515 -37.034 1.00 53.21 O ATOM 1482 CB LYS A 93 -11.395 -53.933 -34.392 1.00 24.52 C ATOM 1483 CG LYS A 93 -12.701 -53.257 -34.768 1.00 53.21 C ATOM 1484 CD LYS A 93 -13.811 -54.271 -34.991 1.00 24.12 C ATOM 1485 CE LYS A 93 -14.735 -53.847 -36.122 1.00 65.22 C ATOM 1486 NZ LYS A 93 -16.154 -54.196 -35.839 1.00 53.10 N ATOM 0 H LYS A 93 -9.666 -52.381 -35.225 1.00 45.24 H new ATOM 0 HA LYS A 93 -9.973 -55.194 -35.398 1.00 44.42 H new ATOM 0 HB2 LYS A 93 -11.615 -54.852 -33.849 1.00 24.52 H new ATOM 0 HB3 LYS A 93 -10.843 -53.285 -33.712 1.00 24.52 H new ATOM 0 HG2 LYS A 93 -12.993 -52.564 -33.979 1.00 53.21 H new ATOM 0 HG3 LYS A 93 -12.559 -52.667 -35.674 1.00 53.21 H new ATOM 0 HD2 LYS A 93 -13.376 -55.244 -35.221 1.00 24.12 H new ATOM 0 HD3 LYS A 93 -14.388 -54.388 -34.073 1.00 24.12 H new ATOM 0 HE2 LYS A 93 -14.650 -52.771 -36.277 1.00 65.22 H new ATOM 0 HE3 LYS A 93 -14.420 -54.328 -37.048 1.00 65.22 H new ATOM 0 HZ1 LYS A 93 -16.752 -53.891 -36.633 1.00 53.10 H new ATOM 0 HZ2 LYS A 93 -16.241 -55.225 -35.716 1.00 53.10 H new ATOM 0 HZ3 LYS A 93 -16.463 -53.716 -34.969 1.00 53.10 H new ATOM 1500 N ARG A 94 -11.429 -53.426 -37.675 1.00 53.42 N ATOM 1501 CA ARG A 94 -12.218 -53.481 -38.900 1.00 72.10 C ATOM 1502 C ARG A 94 -11.443 -54.177 -40.015 1.00 30.31 C ATOM 1503 O ARG A 94 -12.019 -54.905 -40.824 1.00 4.20 O ATOM 1504 CB ARG A 94 -12.612 -52.071 -39.342 1.00 55.33 C ATOM 1505 CG ARG A 94 -13.332 -52.031 -40.681 1.00 3.13 C ATOM 1506 CD ARG A 94 -14.213 -50.798 -40.803 1.00 42.42 C ATOM 1507 NE ARG A 94 -14.080 -50.157 -42.109 1.00 65.20 N ATOM 1508 CZ ARG A 94 -12.984 -49.519 -42.506 1.00 54.11 C ATOM 1509 NH1 ARG A 94 -11.933 -49.437 -41.703 1.00 1.43 N ATOM 1510 NH2 ARG A 94 -12.939 -48.962 -43.710 1.00 14.45 N ATOM 0 H ARG A 94 -10.940 -52.543 -37.528 1.00 53.42 H new ATOM 0 HA ARG A 94 -13.121 -54.056 -38.695 1.00 72.10 H new ATOM 0 HB2 ARG A 94 -13.253 -51.627 -38.581 1.00 55.33 H new ATOM 0 HB3 ARG A 94 -11.715 -51.454 -39.403 1.00 55.33 H new ATOM 0 HG2 ARG A 94 -12.600 -52.038 -41.489 1.00 3.13 H new ATOM 0 HG3 ARG A 94 -13.941 -52.928 -40.795 1.00 3.13 H new ATOM 0 HD2 ARG A 94 -15.254 -51.079 -40.641 1.00 42.42 H new ATOM 0 HD3 ARG A 94 -13.950 -50.086 -40.021 1.00 42.42 H new ATOM 0 HE ARG A 94 -14.871 -50.202 -42.751 1.00 65.20 H new ATOM 0 HH11 ARG A 94 -11.964 -49.864 -40.777 1.00 1.43 H new ATOM 0 HH12 ARG A 94 -11.093 -48.947 -42.011 1.00 1.43 H new ATOM 0 HH21 ARG A 94 -13.746 -49.024 -44.331 1.00 14.45 H new ATOM 0 HH22 ARG A 94 -12.098 -48.472 -44.014 1.00 14.45 H new ATOM 1524 N SER A 95 -10.134 -53.948 -40.051 1.00 32.32 N ATOM 1525 CA SER A 95 -9.281 -54.550 -41.069 1.00 3.33 C ATOM 1526 C SER A 95 -8.725 -55.888 -40.590 1.00 43.53 C ATOM 1527 O SER A 95 -8.062 -56.602 -41.343 1.00 4.33 O ATOM 1528 CB SER A 95 -8.131 -53.605 -41.424 1.00 53.41 C ATOM 1529 OG SER A 95 -8.494 -52.253 -41.199 1.00 70.42 O ATOM 0 H SER A 95 -9.641 -53.350 -39.387 1.00 32.32 H new ATOM 0 HA SER A 95 -9.886 -54.725 -41.958 1.00 3.33 H new ATOM 0 HB2 SER A 95 -7.254 -53.854 -40.826 1.00 53.41 H new ATOM 0 HB3 SER A 95 -7.854 -53.741 -42.469 1.00 53.41 H new ATOM 0 HG SER A 95 -8.505 -52.073 -40.236 1.00 70.42 H new ATOM 1535 N TYR A 96 -9.000 -56.220 -39.334 1.00 42.20 N ATOM 1536 CA TYR A 96 -8.526 -57.470 -38.753 1.00 22.22 C ATOM 1537 C TYR A 96 -9.689 -58.419 -38.480 1.00 24.33 C ATOM 1538 O TYR A 96 -9.743 -59.525 -39.018 1.00 65.11 O ATOM 1539 CB TYR A 96 -7.761 -57.197 -37.457 1.00 3.12 C ATOM 1540 CG TYR A 96 -7.450 -58.445 -36.662 1.00 62.24 C ATOM 1541 CD1 TYR A 96 -7.397 -59.689 -37.278 1.00 71.53 C ATOM 1542 CD2 TYR A 96 -7.208 -58.380 -35.296 1.00 22.04 C ATOM 1543 CE1 TYR A 96 -7.114 -60.833 -36.556 1.00 52.51 C ATOM 1544 CE2 TYR A 96 -6.923 -59.518 -34.566 1.00 3.23 C ATOM 1545 CZ TYR A 96 -6.878 -60.742 -35.200 1.00 45.42 C ATOM 1546 OH TYR A 96 -6.594 -61.878 -34.478 1.00 0.24 O ATOM 0 H TYR A 96 -9.549 -55.641 -38.699 1.00 42.20 H new ATOM 0 HA TYR A 96 -7.855 -57.943 -39.470 1.00 22.22 H new ATOM 0 HB2 TYR A 96 -6.828 -56.687 -37.697 1.00 3.12 H new ATOM 0 HB3 TYR A 96 -8.345 -56.517 -36.837 1.00 3.12 H new ATOM 0 HD1 TYR A 96 -7.580 -59.763 -38.340 1.00 71.53 H new ATOM 0 HD2 TYR A 96 -7.243 -57.424 -34.796 1.00 22.04 H new ATOM 0 HE1 TYR A 96 -7.078 -61.792 -37.051 1.00 52.51 H new ATOM 0 HE2 TYR A 96 -6.736 -59.449 -33.504 1.00 3.23 H new ATOM 0 HH TYR A 96 -6.452 -61.641 -33.538 1.00 0.24 H new