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=-0.054) USER MOD Single : A 23 GLN : amide:sc= -0.408 K(o=-0.41,f=-1.7) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 81:sc= 1.07 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 75 THR OG1 : rot -130:sc= -1.33 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 X(o=0,f=-0.0074) USER MOD Single : A 91 SER OG : rot -78:sc= 0.0993 USER MOD Single : A 92 MET CE :methyl 164:sc=-0.00185 (180deg=-0.461) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 82:sc= 1.24 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 215 N ILE A 14 -2.618 -5.433 15.772 1.00 45.32 N ATOM 216 CA ILE A 14 -3.240 -4.791 16.923 1.00 2.11 C ATOM 217 C ILE A 14 -4.760 -4.875 16.844 1.00 13.12 C ATOM 218 O ILE A 14 -5.414 -5.364 17.766 1.00 24.32 O ATOM 219 CB ILE A 14 -2.824 -3.312 17.036 1.00 22.45 C ATOM 220 CG1 ILE A 14 -1.512 -3.187 17.814 1.00 61.20 C ATOM 221 CG2 ILE A 14 -3.923 -2.503 17.708 1.00 51.21 C ATOM 222 CD1 ILE A 14 -0.295 -3.603 17.017 1.00 33.32 C ATOM 0 HA ILE A 14 -2.894 -5.326 17.808 1.00 2.11 H new ATOM 0 HB ILE A 14 -2.669 -2.915 16.033 1.00 22.45 H new ATOM 0 HG12 ILE A 14 -1.388 -2.154 18.138 1.00 61.20 H new ATOM 0 HG13 ILE A 14 -1.573 -3.798 18.714 1.00 61.20 H new ATOM 0 HG21 ILE A 14 -3.614 -1.460 17.781 1.00 51.21 H new ATOM 0 HG22 ILE A 14 -4.837 -2.571 17.118 1.00 51.21 H new ATOM 0 HG23 ILE A 14 -4.106 -2.898 18.707 1.00 51.21 H new ATOM 0 HD11 ILE A 14 0.598 -3.488 17.631 1.00 33.32 H new ATOM 0 HD12 ILE A 14 -0.397 -4.645 16.715 1.00 33.32 H new ATOM 0 HD13 ILE A 14 -0.209 -2.975 16.130 1.00 33.32 H new ATOM 234 N ILE A 15 -5.317 -4.396 15.737 1.00 70.33 N ATOM 235 CA ILE A 15 -6.761 -4.420 15.536 1.00 24.22 C ATOM 236 C ILE A 15 -7.331 -5.808 15.810 1.00 43.22 C ATOM 237 O ILE A 15 -8.452 -5.945 16.297 1.00 2.35 O ATOM 238 CB ILE A 15 -7.137 -3.996 14.104 1.00 11.14 C ATOM 239 CG1 ILE A 15 -6.541 -2.624 13.782 1.00 30.02 C ATOM 240 CG2 ILE A 15 -8.649 -3.974 13.939 1.00 73.53 C ATOM 241 CD1 ILE A 15 -6.868 -1.566 14.813 1.00 63.12 C ATOM 0 H ILE A 15 -4.790 -3.986 14.965 1.00 70.33 H new ATOM 0 HA ILE A 15 -7.190 -3.708 16.241 1.00 24.22 H new ATOM 0 HB ILE A 15 -6.725 -4.724 13.405 1.00 11.14 H new ATOM 0 HG12 ILE A 15 -5.458 -2.717 13.700 1.00 30.02 H new ATOM 0 HG13 ILE A 15 -6.907 -2.297 12.809 1.00 30.02 H new ATOM 0 HG21 ILE A 15 -8.900 -3.673 12.922 1.00 73.53 H new ATOM 0 HG22 ILE A 15 -9.051 -4.969 14.132 1.00 73.53 H new ATOM 0 HG23 ILE A 15 -9.082 -3.265 14.645 1.00 73.53 H new ATOM 0 HD11 ILE A 15 -6.413 -0.620 14.520 1.00 63.12 H new ATOM 0 HD12 ILE A 15 -7.949 -1.444 14.879 1.00 63.12 H new ATOM 0 HD13 ILE A 15 -6.477 -1.871 15.784 1.00 63.12 H new ATOM 253 N GLY A 16 -6.549 -6.836 15.493 1.00 11.14 N ATOM 254 CA GLY A 16 -6.992 -8.200 15.714 1.00 74.13 C ATOM 255 C GLY A 16 -7.153 -8.527 17.185 1.00 23.11 C ATOM 256 O GLY A 16 -8.052 -9.276 17.568 1.00 75.21 O ATOM 0 H GLY A 16 -5.617 -6.748 15.087 1.00 11.14 H new ATOM 0 HA2 GLY A 16 -7.943 -8.357 15.204 1.00 74.13 H new ATOM 0 HA3 GLY A 16 -6.274 -8.888 15.269 1.00 74.13 H new ATOM 260 N LEU A 17 -6.278 -7.967 18.013 1.00 42.52 N ATOM 261 CA LEU A 17 -6.325 -8.204 19.451 1.00 10.24 C ATOM 262 C LEU A 17 -7.346 -7.289 20.121 1.00 62.31 C ATOM 263 O LEU A 17 -8.040 -7.694 21.054 1.00 43.21 O ATOM 264 CB LEU A 17 -4.943 -7.984 20.070 1.00 74.10 C ATOM 265 CG LEU A 17 -3.759 -8.547 19.284 1.00 43.33 C ATOM 266 CD1 LEU A 17 -2.460 -8.324 20.043 1.00 70.00 C ATOM 267 CD2 LEU A 17 -3.964 -10.027 18.997 1.00 42.03 C ATOM 0 H LEU A 17 -5.527 -7.345 17.713 1.00 42.52 H new ATOM 0 HA LEU A 17 -6.629 -9.238 19.614 1.00 10.24 H new ATOM 0 HB2 LEU A 17 -4.791 -6.912 20.199 1.00 74.10 H new ATOM 0 HB3 LEU A 17 -4.938 -8.429 21.065 1.00 74.10 H new ATOM 0 HG LEU A 17 -3.695 -8.019 18.333 1.00 43.33 H new ATOM 0 HD11 LEU A 17 -1.628 -8.731 19.468 1.00 70.00 H new ATOM 0 HD12 LEU A 17 -2.307 -7.256 20.196 1.00 70.00 H new ATOM 0 HD13 LEU A 17 -2.513 -8.825 21.010 1.00 70.00 H new ATOM 0 HD21 LEU A 17 -3.111 -10.411 18.437 1.00 42.03 H new ATOM 0 HD22 LEU A 17 -4.055 -10.571 19.937 1.00 42.03 H new ATOM 0 HD23 LEU A 17 -4.873 -10.161 18.411 1.00 42.03 H new ATOM 279 N VAL A 18 -7.434 -6.054 19.637 1.00 64.31 N ATOM 280 CA VAL A 18 -8.372 -5.083 20.186 1.00 0.10 C ATOM 281 C VAL A 18 -9.801 -5.398 19.760 1.00 74.11 C ATOM 282 O VAL A 18 -10.760 -5.001 20.422 1.00 11.12 O ATOM 283 CB VAL A 18 -8.020 -3.650 19.743 1.00 30.33 C ATOM 284 CG1 VAL A 18 -6.514 -3.437 19.771 1.00 32.41 C ATOM 285 CG2 VAL A 18 -8.581 -3.368 18.358 1.00 72.22 C ATOM 0 H VAL A 18 -6.867 -5.703 18.866 1.00 64.31 H new ATOM 0 HA VAL A 18 -8.297 -5.149 21.271 1.00 0.10 H new ATOM 0 HB VAL A 18 -8.475 -2.950 20.444 1.00 30.33 H new ATOM 0 HG11 VAL A 18 -6.285 -2.419 19.455 1.00 32.41 H new ATOM 0 HG12 VAL A 18 -6.143 -3.595 20.784 1.00 32.41 H new ATOM 0 HG13 VAL A 18 -6.034 -4.144 19.094 1.00 32.41 H new ATOM 0 HG21 VAL A 18 -8.323 -2.351 18.061 1.00 72.22 H new ATOM 0 HG22 VAL A 18 -8.157 -4.074 17.643 1.00 72.22 H new ATOM 0 HG23 VAL A 18 -9.665 -3.477 18.376 1.00 72.22 H new ATOM 295 N VAL A 19 -9.937 -6.116 18.649 1.00 14.41 N ATOM 296 CA VAL A 19 -11.250 -6.486 18.134 1.00 32.34 C ATOM 297 C VAL A 19 -11.649 -7.882 18.600 1.00 20.10 C ATOM 298 O VAL A 19 -12.733 -8.079 19.150 1.00 34.01 O ATOM 299 CB VAL A 19 -11.283 -6.442 16.595 1.00 4.32 C ATOM 300 CG1 VAL A 19 -12.571 -7.057 16.070 1.00 64.30 C ATOM 301 CG2 VAL A 19 -11.125 -5.012 16.101 1.00 40.15 C ATOM 0 H VAL A 19 -9.154 -6.453 18.089 1.00 14.41 H new ATOM 0 HA VAL A 19 -11.960 -5.758 18.526 1.00 32.34 H new ATOM 0 HB VAL A 19 -10.448 -7.029 16.214 1.00 4.32 H new ATOM 0 HG11 VAL A 19 -12.576 -7.017 14.981 1.00 64.30 H new ATOM 0 HG12 VAL A 19 -12.637 -8.095 16.395 1.00 64.30 H new ATOM 0 HG13 VAL A 19 -13.424 -6.500 16.457 1.00 64.30 H new ATOM 0 HG21 VAL A 19 -11.150 -4.999 15.011 1.00 40.15 H new ATOM 0 HG22 VAL A 19 -11.939 -4.400 16.491 1.00 40.15 H new ATOM 0 HG23 VAL A 19 -10.172 -4.611 16.447 1.00 40.15 H new ATOM 311 N LEU A 20 -10.766 -8.849 18.377 1.00 43.12 N ATOM 312 CA LEU A 20 -11.025 -10.229 18.774 1.00 4.51 C ATOM 313 C LEU A 20 -10.752 -10.427 20.262 1.00 64.24 C ATOM 314 O LEU A 20 -10.947 -11.517 20.799 1.00 44.51 O ATOM 315 CB LEU A 20 -10.161 -11.187 17.953 1.00 63.21 C ATOM 316 CG LEU A 20 -10.663 -12.628 17.856 1.00 21.25 C ATOM 317 CD1 LEU A 20 -12.172 -12.656 17.667 1.00 64.15 C ATOM 318 CD2 LEU A 20 -9.967 -13.361 16.719 1.00 43.32 C ATOM 0 H LEU A 20 -9.864 -8.703 17.923 1.00 43.12 H new ATOM 0 HA LEU A 20 -12.076 -10.445 18.584 1.00 4.51 H new ATOM 0 HB2 LEU A 20 -10.069 -10.787 16.943 1.00 63.21 H new ATOM 0 HB3 LEU A 20 -9.160 -11.200 18.383 1.00 63.21 H new ATOM 0 HG LEU A 20 -10.425 -13.139 18.789 1.00 21.25 H new ATOM 0 HD11 LEU A 20 -12.511 -13.690 17.600 1.00 64.15 H new ATOM 0 HD12 LEU A 20 -12.654 -12.170 18.515 1.00 64.15 H new ATOM 0 HD13 LEU A 20 -12.434 -12.128 16.750 1.00 64.15 H new ATOM 0 HD21 LEU A 20 -10.337 -14.385 16.666 1.00 43.32 H new ATOM 0 HD22 LEU A 20 -10.173 -12.851 15.778 1.00 43.32 H new ATOM 0 HD23 LEU A 20 -8.892 -13.373 16.898 1.00 43.32 H new ATOM 330 N GLY A 21 -10.301 -9.365 20.922 1.00 25.15 N ATOM 331 CA GLY A 21 -10.010 -9.443 22.342 1.00 32.12 C ATOM 332 C GLY A 21 -8.852 -10.373 22.647 1.00 53.40 C ATOM 333 O GLY A 21 -8.776 -11.491 22.138 1.00 22.23 O ATOM 0 H GLY A 21 -10.132 -8.452 20.499 1.00 25.15 H new ATOM 0 HA2 GLY A 21 -9.780 -8.446 22.718 1.00 32.12 H new ATOM 0 HA3 GLY A 21 -10.898 -9.787 22.873 1.00 32.12 H new ATOM 337 N PRO A 22 -7.923 -9.908 23.495 1.00 3.00 N ATOM 338 CA PRO A 22 -6.745 -10.690 23.885 1.00 54.52 C ATOM 339 C PRO A 22 -7.105 -11.875 24.774 1.00 0.11 C ATOM 340 O PRO A 22 -6.237 -12.655 25.163 1.00 22.53 O ATOM 341 CB PRO A 22 -5.890 -9.682 24.657 1.00 14.31 C ATOM 342 CG PRO A 22 -6.862 -8.677 25.173 1.00 32.42 C ATOM 343 CD PRO A 22 -7.950 -8.584 24.139 1.00 22.01 C ATOM 0 HA PRO A 22 -6.240 -11.125 23.022 1.00 54.52 H new ATOM 0 HB2 PRO A 22 -5.349 -10.164 25.471 1.00 14.31 H new ATOM 0 HB3 PRO A 22 -5.146 -9.217 24.011 1.00 14.31 H new ATOM 0 HG2 PRO A 22 -7.266 -8.984 26.138 1.00 32.42 H new ATOM 0 HG3 PRO A 22 -6.381 -7.710 25.322 1.00 32.42 H new ATOM 0 HD2 PRO A 22 -8.919 -8.378 24.593 1.00 22.01 H new ATOM 0 HD3 PRO A 22 -7.757 -7.785 23.423 1.00 22.01 H new ATOM 351 N GLN A 23 -8.389 -12.003 25.091 1.00 54.01 N ATOM 352 CA GLN A 23 -8.862 -13.094 25.935 1.00 54.12 C ATOM 353 C GLN A 23 -8.665 -14.440 25.246 1.00 71.13 C ATOM 354 O GLN A 23 -8.286 -15.424 25.881 1.00 33.13 O ATOM 355 CB GLN A 23 -10.339 -12.896 26.280 1.00 34.12 C ATOM 356 CG GLN A 23 -10.668 -11.494 26.767 1.00 41.24 C ATOM 357 CD GLN A 23 -9.786 -11.054 27.919 1.00 72.13 C ATOM 358 OE1 GLN A 23 -9.233 -11.882 28.643 1.00 44.01 O ATOM 359 NE2 GLN A 23 -9.651 -9.745 28.095 1.00 44.13 N ATOM 0 H GLN A 23 -9.120 -11.365 24.776 1.00 54.01 H new ATOM 0 HA GLN A 23 -8.277 -13.088 26.855 1.00 54.12 H new ATOM 0 HB2 GLN A 23 -10.942 -13.116 25.399 1.00 34.12 H new ATOM 0 HB3 GLN A 23 -10.623 -13.615 27.049 1.00 34.12 H new ATOM 0 HG2 GLN A 23 -10.558 -10.791 25.941 1.00 41.24 H new ATOM 0 HG3 GLN A 23 -11.712 -11.458 27.079 1.00 41.24 H new ATOM 0 HE21 GLN A 23 -10.128 -9.095 27.471 1.00 44.13 H new ATOM 0 HE22 GLN A 23 -9.070 -9.390 28.855 1.00 44.13 H new ATOM 368 N ARG A 24 -8.925 -14.476 23.943 1.00 63.02 N ATOM 369 CA ARG A 24 -8.777 -15.702 23.168 1.00 71.11 C ATOM 370 C ARG A 24 -8.000 -15.442 21.881 1.00 42.51 C ATOM 371 O ARG A 24 -8.427 -15.835 20.795 1.00 63.14 O ATOM 372 CB ARG A 24 -10.150 -16.290 22.837 1.00 51.11 C ATOM 373 CG ARG A 24 -11.182 -15.245 22.446 1.00 10.52 C ATOM 374 CD ARG A 24 -11.087 -14.893 20.970 1.00 74.13 C ATOM 375 NE ARG A 24 -12.142 -13.970 20.558 1.00 60.50 N ATOM 376 CZ ARG A 24 -13.424 -14.310 20.474 1.00 4.41 C ATOM 377 NH1 ARG A 24 -13.807 -15.543 20.772 1.00 33.23 N ATOM 378 NH2 ARG A 24 -14.325 -13.414 20.092 1.00 44.43 N ATOM 0 H ARG A 24 -9.239 -13.670 23.402 1.00 63.02 H new ATOM 0 HA ARG A 24 -8.218 -16.418 23.771 1.00 71.11 H new ATOM 0 HB2 ARG A 24 -10.043 -17.005 22.021 1.00 51.11 H new ATOM 0 HB3 ARG A 24 -10.516 -16.845 23.701 1.00 51.11 H new ATOM 0 HG2 ARG A 24 -12.182 -15.618 22.668 1.00 10.52 H new ATOM 0 HG3 ARG A 24 -11.037 -14.346 23.046 1.00 10.52 H new ATOM 0 HD2 ARG A 24 -10.114 -14.446 20.766 1.00 74.13 H new ATOM 0 HD3 ARG A 24 -11.150 -15.804 20.375 1.00 74.13 H new ATOM 0 HE ARG A 24 -11.880 -13.013 20.322 1.00 60.50 H new ATOM 0 HH11 ARG A 24 -13.117 -16.234 21.067 1.00 33.23 H new ATOM 0 HH12 ARG A 24 -14.792 -15.801 20.707 1.00 33.23 H new ATOM 0 HH21 ARG A 24 -14.034 -12.464 19.863 1.00 44.43 H new ATOM 0 HH22 ARG A 24 -15.309 -13.675 20.028 1.00 44.43 H new ATOM 392 N LEU A 25 -6.858 -14.776 22.010 1.00 4.24 N ATOM 393 CA LEU A 25 -6.020 -14.462 20.858 1.00 52.21 C ATOM 394 C LEU A 25 -5.329 -15.715 20.329 1.00 12.34 C ATOM 395 O LEU A 25 -5.422 -16.054 19.150 1.00 52.15 O ATOM 396 CB LEU A 25 -4.976 -13.409 21.233 1.00 25.33 C ATOM 397 CG LEU A 25 -3.841 -13.202 20.229 1.00 0.24 C ATOM 398 CD1 LEU A 25 -2.701 -14.170 20.505 1.00 4.51 C ATOM 399 CD2 LEU A 25 -4.352 -13.368 18.806 1.00 64.14 C ATOM 0 H LEU A 25 -6.491 -14.443 22.901 1.00 4.24 H new ATOM 0 HA LEU A 25 -6.661 -14.064 20.072 1.00 52.21 H new ATOM 0 HB2 LEU A 25 -5.486 -12.456 21.377 1.00 25.33 H new ATOM 0 HB3 LEU A 25 -4.539 -13.685 22.193 1.00 25.33 H new ATOM 0 HG LEU A 25 -3.462 -12.186 20.342 1.00 0.24 H new ATOM 0 HD11 LEU A 25 -1.903 -14.008 19.781 1.00 4.51 H new ATOM 0 HD12 LEU A 25 -2.317 -14.003 21.511 1.00 4.51 H new ATOM 0 HD13 LEU A 25 -3.065 -15.194 20.421 1.00 4.51 H new ATOM 0 HD21 LEU A 25 -3.531 -13.217 18.105 1.00 64.14 H new ATOM 0 HD22 LEU A 25 -4.757 -14.372 18.680 1.00 64.14 H new ATOM 0 HD23 LEU A 25 -5.134 -12.634 18.612 1.00 64.14 H new ATOM 411 N PRO A 26 -4.620 -16.421 21.222 1.00 34.35 N ATOM 412 CA PRO A 26 -3.902 -17.649 20.870 1.00 72.53 C ATOM 413 C PRO A 26 -4.848 -18.805 20.559 1.00 5.02 C ATOM 414 O PRO A 26 -4.416 -19.875 20.128 1.00 13.52 O ATOM 415 CB PRO A 26 -3.081 -17.953 22.125 1.00 22.11 C ATOM 416 CG PRO A 26 -3.833 -17.305 23.236 1.00 72.51 C ATOM 417 CD PRO A 26 -4.466 -16.076 22.646 1.00 50.24 C ATOM 0 HA PRO A 26 -3.300 -17.525 19.970 1.00 72.53 H new ATOM 0 HB2 PRO A 26 -2.986 -19.027 22.285 1.00 22.11 H new ATOM 0 HB3 PRO A 26 -2.071 -17.552 22.044 1.00 22.11 H new ATOM 0 HG2 PRO A 26 -4.589 -17.978 23.640 1.00 72.51 H new ATOM 0 HG3 PRO A 26 -3.167 -17.044 24.058 1.00 72.51 H new ATOM 0 HD2 PRO A 26 -5.426 -15.856 23.112 1.00 50.24 H new ATOM 0 HD3 PRO A 26 -3.837 -15.196 22.780 1.00 50.24 H new ATOM 425 N VAL A 27 -6.139 -18.583 20.780 1.00 13.45 N ATOM 426 CA VAL A 27 -7.146 -19.605 20.523 1.00 72.14 C ATOM 427 C VAL A 27 -7.219 -19.943 19.038 1.00 65.12 C ATOM 428 O VAL A 27 -7.201 -21.113 18.656 1.00 54.35 O ATOM 429 CB VAL A 27 -8.538 -19.156 21.004 1.00 15.31 C ATOM 430 CG1 VAL A 27 -9.609 -20.119 20.515 1.00 33.02 C ATOM 431 CG2 VAL A 27 -8.566 -19.040 22.521 1.00 63.24 C ATOM 0 H VAL A 27 -6.513 -17.704 21.137 1.00 13.45 H new ATOM 0 HA VAL A 27 -6.846 -20.492 21.081 1.00 72.14 H new ATOM 0 HB VAL A 27 -8.748 -18.173 20.583 1.00 15.31 H new ATOM 0 HG11 VAL A 27 -10.586 -19.785 20.865 1.00 33.02 H new ATOM 0 HG12 VAL A 27 -9.604 -20.146 19.425 1.00 33.02 H new ATOM 0 HG13 VAL A 27 -9.406 -21.117 20.904 1.00 33.02 H new ATOM 0 HG21 VAL A 27 -9.557 -18.722 22.843 1.00 63.24 H new ATOM 0 HG22 VAL A 27 -8.334 -20.008 22.964 1.00 63.24 H new ATOM 0 HG23 VAL A 27 -7.827 -18.307 22.844 1.00 63.24 H new ATOM 441 N ALA A 28 -7.299 -18.911 18.205 1.00 41.32 N ATOM 442 CA ALA A 28 -7.371 -19.098 16.761 1.00 12.21 C ATOM 443 C ALA A 28 -6.106 -19.764 16.230 1.00 55.32 C ATOM 444 O ALA A 28 -6.171 -20.784 15.544 1.00 31.34 O ATOM 445 CB ALA A 28 -7.599 -17.763 16.067 1.00 70.33 C ATOM 0 H ALA A 28 -7.316 -17.936 18.505 1.00 41.32 H new ATOM 0 HA ALA A 28 -8.213 -19.755 16.546 1.00 12.21 H new ATOM 0 HB1 ALA A 28 -7.651 -17.917 14.989 1.00 70.33 H new ATOM 0 HB2 ALA A 28 -8.535 -17.326 16.416 1.00 70.33 H new ATOM 0 HB3 ALA A 28 -6.775 -17.088 16.298 1.00 70.33 H new ATOM 451 N VAL A 29 -4.956 -19.179 16.550 1.00 73.12 N ATOM 452 CA VAL A 29 -3.676 -19.716 16.105 1.00 61.32 C ATOM 453 C VAL A 29 -3.536 -21.187 16.481 1.00 13.03 C ATOM 454 O VAL A 29 -3.279 -22.036 15.628 1.00 72.41 O ATOM 455 CB VAL A 29 -2.497 -18.929 16.708 1.00 71.24 C ATOM 456 CG1 VAL A 29 -1.179 -19.405 16.116 1.00 30.22 C ATOM 457 CG2 VAL A 29 -2.683 -17.436 16.483 1.00 35.30 C ATOM 0 H VAL A 29 -4.885 -18.333 17.116 1.00 73.12 H new ATOM 0 HA VAL A 29 -3.652 -19.618 15.020 1.00 61.32 H new ATOM 0 HB VAL A 29 -2.472 -19.111 17.782 1.00 71.24 H new ATOM 0 HG11 VAL A 29 -0.358 -18.838 16.554 1.00 30.22 H new ATOM 0 HG12 VAL A 29 -1.044 -20.465 16.333 1.00 30.22 H new ATOM 0 HG13 VAL A 29 -1.189 -19.254 15.037 1.00 30.22 H new ATOM 0 HG21 VAL A 29 -1.841 -16.895 16.915 1.00 35.30 H new ATOM 0 HG22 VAL A 29 -2.734 -17.233 15.413 1.00 35.30 H new ATOM 0 HG23 VAL A 29 -3.607 -17.109 16.959 1.00 35.30 H new ATOM 467 N LYS A 30 -3.708 -21.482 17.765 1.00 21.14 N ATOM 468 CA LYS A 30 -3.603 -22.851 18.257 1.00 12.20 C ATOM 469 C LYS A 30 -4.545 -23.777 17.494 1.00 13.50 C ATOM 470 O LYS A 30 -4.153 -24.862 17.065 1.00 74.33 O ATOM 471 CB LYS A 30 -3.921 -22.903 19.753 1.00 1.22 C ATOM 472 CG LYS A 30 -2.855 -22.261 20.624 1.00 2.10 C ATOM 473 CD LYS A 30 -1.951 -23.304 21.259 1.00 31.23 C ATOM 474 CE LYS A 30 -1.178 -24.087 20.208 1.00 14.44 C ATOM 475 NZ LYS A 30 -0.136 -24.957 20.820 1.00 74.21 N ATOM 0 H LYS A 30 -3.921 -20.791 18.484 1.00 21.14 H new ATOM 0 HA LYS A 30 -2.580 -23.190 18.097 1.00 12.20 H new ATOM 0 HB2 LYS A 30 -4.873 -22.403 19.931 1.00 1.22 H new ATOM 0 HB3 LYS A 30 -4.046 -23.943 20.053 1.00 1.22 H new ATOM 0 HG2 LYS A 30 -2.256 -21.577 20.023 1.00 2.10 H new ATOM 0 HG3 LYS A 30 -3.331 -21.667 21.404 1.00 2.10 H new ATOM 0 HD2 LYS A 30 -1.252 -22.816 21.938 1.00 31.23 H new ATOM 0 HD3 LYS A 30 -2.550 -23.990 21.858 1.00 31.23 H new ATOM 0 HE2 LYS A 30 -1.870 -24.700 19.630 1.00 14.44 H new ATOM 0 HE3 LYS A 30 -0.708 -23.393 19.511 1.00 14.44 H new ATOM 0 HZ1 LYS A 30 0.368 -25.474 20.071 1.00 74.21 H new ATOM 0 HZ2 LYS A 30 0.539 -24.370 21.350 1.00 74.21 H new ATOM 0 HZ3 LYS A 30 -0.586 -25.636 21.466 1.00 74.21 H new ATOM 489 N THR A 31 -5.790 -23.340 17.327 1.00 61.02 N ATOM 490 CA THR A 31 -6.787 -24.129 16.615 1.00 35.14 C ATOM 491 C THR A 31 -6.319 -24.464 15.204 1.00 54.53 C ATOM 492 O THR A 31 -6.093 -25.628 14.873 1.00 5.44 O ATOM 493 CB THR A 31 -8.136 -23.389 16.535 1.00 31.31 C ATOM 494 OG1 THR A 31 -8.715 -23.283 17.840 1.00 32.44 O ATOM 495 CG2 THR A 31 -9.097 -24.115 15.606 1.00 71.42 C ATOM 0 H THR A 31 -6.131 -22.444 17.675 1.00 61.02 H new ATOM 0 HA THR A 31 -6.920 -25.053 17.178 1.00 35.14 H new ATOM 0 HB THR A 31 -7.954 -22.391 16.137 1.00 31.31 H new ATOM 0 HG1 THR A 31 -8.299 -22.539 18.323 1.00 32.44 H new ATOM 0 HG21 THR A 31 -10.042 -23.574 15.566 1.00 71.42 H new ATOM 0 HG22 THR A 31 -8.666 -24.168 14.606 1.00 71.42 H new ATOM 0 HG23 THR A 31 -9.272 -25.124 15.980 1.00 71.42 H new ATOM 503 N VAL A 32 -6.176 -23.435 14.374 1.00 62.24 N ATOM 504 CA VAL A 32 -5.733 -23.620 12.997 1.00 64.10 C ATOM 505 C VAL A 32 -4.517 -24.538 12.930 1.00 74.35 C ATOM 506 O VAL A 32 -4.579 -25.624 12.354 1.00 25.30 O ATOM 507 CB VAL A 32 -5.383 -22.274 12.334 1.00 22.44 C ATOM 508 CG1 VAL A 32 -5.015 -22.478 10.873 1.00 63.33 C ATOM 509 CG2 VAL A 32 -6.541 -21.297 12.470 1.00 70.53 C ATOM 0 H VAL A 32 -6.360 -22.465 14.631 1.00 62.24 H new ATOM 0 HA VAL A 32 -6.561 -24.078 12.457 1.00 64.10 H new ATOM 0 HB VAL A 32 -4.518 -21.851 12.845 1.00 22.44 H new ATOM 0 HG11 VAL A 32 -4.771 -21.516 10.422 1.00 63.33 H new ATOM 0 HG12 VAL A 32 -4.152 -23.141 10.804 1.00 63.33 H new ATOM 0 HG13 VAL A 32 -5.858 -22.924 10.344 1.00 63.33 H new ATOM 0 HG21 VAL A 32 -6.277 -20.352 11.996 1.00 70.53 H new ATOM 0 HG22 VAL A 32 -7.425 -21.711 11.985 1.00 70.53 H new ATOM 0 HG23 VAL A 32 -6.752 -21.127 13.526 1.00 70.53 H new ATOM 519 N ALA A 33 -3.414 -24.095 13.522 1.00 3.51 N ATOM 520 CA ALA A 33 -2.184 -24.877 13.532 1.00 72.43 C ATOM 521 C ALA A 33 -2.423 -26.267 14.112 1.00 21.22 C ATOM 522 O ALA A 33 -1.672 -27.202 13.838 1.00 22.34 O ATOM 523 CB ALA A 33 -1.103 -24.153 14.320 1.00 52.43 C ATOM 0 H ALA A 33 -3.347 -23.197 14.002 1.00 3.51 H new ATOM 0 HA ALA A 33 -1.849 -24.994 12.501 1.00 72.43 H new ATOM 0 HB1 ALA A 33 -0.191 -24.749 14.319 1.00 52.43 H new ATOM 0 HB2 ALA A 33 -0.904 -23.185 13.860 1.00 52.43 H new ATOM 0 HB3 ALA A 33 -1.438 -24.005 15.347 1.00 52.43 H new ATOM 529 N GLY A 34 -3.474 -26.395 14.917 1.00 61.24 N ATOM 530 CA GLY A 34 -3.792 -27.674 15.524 1.00 62.42 C ATOM 531 C GLY A 34 -4.121 -28.738 14.496 1.00 71.45 C ATOM 532 O GLY A 34 -3.361 -29.689 14.312 1.00 73.34 O ATOM 0 H GLY A 34 -4.110 -25.636 15.159 1.00 61.24 H new ATOM 0 HA2 GLY A 34 -2.948 -28.006 16.128 1.00 62.42 H new ATOM 0 HA3 GLY A 34 -4.639 -27.552 16.199 1.00 62.42 H new ATOM 536 N TRP A 35 -5.257 -28.580 13.825 1.00 4.54 N ATOM 537 CA TRP A 35 -5.686 -29.536 12.811 1.00 5.02 C ATOM 538 C TRP A 35 -4.856 -29.390 11.540 1.00 31.42 C ATOM 539 O TRP A 35 -4.801 -30.304 10.716 1.00 12.23 O ATOM 540 CB TRP A 35 -7.169 -29.341 12.492 1.00 23.52 C ATOM 541 CG TRP A 35 -7.539 -27.912 12.236 1.00 3.24 C ATOM 542 CD1 TRP A 35 -7.925 -26.987 13.164 1.00 43.53 C ATOM 543 CD2 TRP A 35 -7.559 -27.246 10.969 1.00 14.53 C ATOM 544 NE1 TRP A 35 -8.184 -25.785 12.549 1.00 31.14 N ATOM 545 CE2 TRP A 35 -7.967 -25.917 11.204 1.00 64.55 C ATOM 546 CE3 TRP A 35 -7.272 -27.641 9.660 1.00 4.42 C ATOM 547 CZ2 TRP A 35 -8.093 -24.986 10.176 1.00 35.05 C ATOM 548 CZ3 TRP A 35 -7.398 -26.715 8.642 1.00 73.11 C ATOM 549 CH2 TRP A 35 -7.805 -25.400 8.904 1.00 34.25 C ATOM 0 H TRP A 35 -5.897 -27.799 13.965 1.00 4.54 H new ATOM 0 HA TRP A 35 -5.536 -30.540 13.207 1.00 5.02 H new ATOM 0 HB2 TRP A 35 -7.426 -29.938 11.617 1.00 23.52 H new ATOM 0 HB3 TRP A 35 -7.765 -29.720 13.323 1.00 23.52 H new ATOM 0 HD1 TRP A 35 -8.014 -27.172 14.224 1.00 43.53 H new ATOM 0 HE1 TRP A 35 -8.489 -24.933 13.019 1.00 31.14 H new ATOM 0 HE3 TRP A 35 -6.957 -28.652 9.447 1.00 4.42 H new ATOM 0 HZ2 TRP A 35 -8.407 -23.972 10.376 1.00 35.05 H new ATOM 0 HZ3 TRP A 35 -7.179 -27.010 7.626 1.00 73.11 H new ATOM 0 HH2 TRP A 35 -7.893 -24.700 8.086 1.00 34.25 H new ATOM 560 N ILE A 36 -4.213 -28.238 11.388 1.00 45.04 N ATOM 561 CA ILE A 36 -3.385 -27.975 10.217 1.00 40.01 C ATOM 562 C ILE A 36 -2.120 -28.827 10.235 1.00 12.32 C ATOM 563 O ILE A 36 -1.792 -29.489 9.251 1.00 23.40 O ATOM 564 CB ILE A 36 -2.989 -26.489 10.130 1.00 63.31 C ATOM 565 CG1 ILE A 36 -4.118 -25.674 9.498 1.00 55.33 C ATOM 566 CG2 ILE A 36 -1.703 -26.330 9.333 1.00 41.14 C ATOM 567 CD1 ILE A 36 -4.385 -26.030 8.052 1.00 33.31 C ATOM 0 H ILE A 36 -4.249 -27.472 12.060 1.00 45.04 H new ATOM 0 HA ILE A 36 -3.982 -28.235 9.343 1.00 40.01 H new ATOM 0 HB ILE A 36 -2.817 -26.114 11.139 1.00 63.31 H new ATOM 0 HG12 ILE A 36 -5.030 -25.824 10.075 1.00 55.33 H new ATOM 0 HG13 ILE A 36 -3.871 -24.614 9.563 1.00 55.33 H new ATOM 0 HG21 ILE A 36 -1.436 -25.275 9.280 1.00 41.14 H new ATOM 0 HG22 ILE A 36 -0.901 -26.883 9.822 1.00 41.14 H new ATOM 0 HG23 ILE A 36 -1.849 -26.718 8.325 1.00 41.14 H new ATOM 0 HD11 ILE A 36 -5.198 -25.413 7.669 1.00 33.31 H new ATOM 0 HD12 ILE A 36 -3.486 -25.853 7.462 1.00 33.31 H new ATOM 0 HD13 ILE A 36 -4.664 -27.081 7.982 1.00 33.31 H new ATOM 579 N ARG A 37 -1.415 -28.805 11.362 1.00 73.34 N ATOM 580 CA ARG A 37 -0.187 -29.576 11.509 1.00 65.14 C ATOM 581 C ARG A 37 -0.491 -31.066 11.633 1.00 31.12 C ATOM 582 O ARG A 37 0.266 -31.907 11.149 1.00 11.02 O ATOM 583 CB ARG A 37 0.596 -29.100 12.734 1.00 34.32 C ATOM 584 CG ARG A 37 2.072 -29.457 12.690 1.00 5.43 C ATOM 585 CD ARG A 37 2.779 -28.761 11.537 1.00 23.42 C ATOM 586 NE ARG A 37 4.232 -28.817 11.673 1.00 43.42 N ATOM 587 CZ ARG A 37 4.953 -29.905 11.426 1.00 34.23 C ATOM 588 NH1 ARG A 37 4.357 -31.023 11.033 1.00 5.13 N ATOM 589 NH2 ARG A 37 6.271 -29.877 11.572 1.00 1.14 N ATOM 0 H ARG A 37 -1.674 -28.262 12.186 1.00 73.34 H new ATOM 0 HA ARG A 37 0.419 -29.420 10.616 1.00 65.14 H new ATOM 0 HB2 ARG A 37 0.495 -28.018 12.821 1.00 34.32 H new ATOM 0 HB3 ARG A 37 0.152 -29.535 13.630 1.00 34.32 H new ATOM 0 HG2 ARG A 37 2.544 -29.175 13.631 1.00 5.43 H new ATOM 0 HG3 ARG A 37 2.184 -30.536 12.588 1.00 5.43 H new ATOM 0 HD2 ARG A 37 2.485 -29.227 10.597 1.00 23.42 H new ATOM 0 HD3 ARG A 37 2.459 -27.720 11.491 1.00 23.42 H new ATOM 0 HE ARG A 37 4.720 -27.974 11.974 1.00 43.42 H new ATOM 0 HH11 ARG A 37 3.344 -31.048 10.920 1.00 5.13 H new ATOM 0 HH12 ARG A 37 4.912 -31.858 10.844 1.00 5.13 H new ATOM 0 HH21 ARG A 37 6.733 -29.019 11.874 1.00 1.14 H new ATOM 0 HH22 ARG A 37 6.823 -30.713 11.382 1.00 1.14 H new ATOM 603 N ALA A 38 -1.604 -31.385 12.286 1.00 50.31 N ATOM 604 CA ALA A 38 -2.009 -32.772 12.473 1.00 73.31 C ATOM 605 C ALA A 38 -2.304 -33.443 11.136 1.00 55.04 C ATOM 606 O ALA A 38 -1.741 -34.491 10.817 1.00 1.01 O ATOM 607 CB ALA A 38 -3.226 -32.849 13.384 1.00 43.33 C ATOM 0 H ALA A 38 -2.241 -30.701 12.694 1.00 50.31 H new ATOM 0 HA ALA A 38 -1.183 -33.305 12.943 1.00 73.31 H new ATOM 0 HB1 ALA A 38 -3.517 -33.891 13.515 1.00 43.33 H new ATOM 0 HB2 ALA A 38 -2.982 -32.416 14.354 1.00 43.33 H new ATOM 0 HB3 ALA A 38 -4.051 -32.295 12.936 1.00 43.33 H new ATOM 613 N LEU A 39 -3.191 -32.834 10.356 1.00 12.55 N ATOM 614 CA LEU A 39 -3.562 -33.372 9.053 1.00 71.35 C ATOM 615 C LEU A 39 -2.380 -33.329 8.089 1.00 32.43 C ATOM 616 O LEU A 39 -2.174 -34.254 7.303 1.00 5.11 O ATOM 617 CB LEU A 39 -4.738 -32.587 8.470 1.00 53.20 C ATOM 618 CG LEU A 39 -4.396 -31.237 7.837 1.00 35.41 C ATOM 619 CD1 LEU A 39 -4.007 -31.415 6.378 1.00 72.52 C ATOM 620 CD2 LEU A 39 -5.569 -30.276 7.965 1.00 73.14 C ATOM 0 H LEU A 39 -3.667 -31.967 10.604 1.00 12.55 H new ATOM 0 HA LEU A 39 -3.859 -34.412 9.189 1.00 71.35 H new ATOM 0 HB2 LEU A 39 -5.224 -33.206 7.716 1.00 53.20 H new ATOM 0 HB3 LEU A 39 -5.466 -32.420 9.264 1.00 53.20 H new ATOM 0 HG LEU A 39 -3.545 -30.813 8.369 1.00 35.41 H new ATOM 0 HD11 LEU A 39 -3.767 -30.444 5.944 1.00 72.52 H new ATOM 0 HD12 LEU A 39 -3.137 -32.068 6.311 1.00 72.52 H new ATOM 0 HD13 LEU A 39 -4.838 -31.861 5.832 1.00 72.52 H new ATOM 0 HD21 LEU A 39 -5.308 -29.321 7.509 1.00 73.14 H new ATOM 0 HD22 LEU A 39 -6.439 -30.694 7.458 1.00 73.14 H new ATOM 0 HD23 LEU A 39 -5.801 -30.124 9.019 1.00 73.14 H new ATOM 632 N ARG A 40 -1.606 -32.251 8.158 1.00 34.01 N ATOM 633 CA ARG A 40 -0.444 -32.088 7.293 1.00 73.21 C ATOM 634 C ARG A 40 0.585 -33.184 7.554 1.00 43.35 C ATOM 635 O ARG A 40 0.978 -33.910 6.641 1.00 62.13 O ATOM 636 CB ARG A 40 0.191 -30.714 7.510 1.00 4.23 C ATOM 637 CG ARG A 40 1.354 -30.426 6.575 1.00 42.31 C ATOM 638 CD ARG A 40 1.247 -29.037 5.964 1.00 23.14 C ATOM 639 NE ARG A 40 2.550 -28.387 5.852 1.00 41.21 N ATOM 640 CZ ARG A 40 2.775 -27.317 5.098 1.00 54.52 C ATOM 641 NH1 ARG A 40 1.788 -26.779 4.394 1.00 42.22 N ATOM 642 NH2 ARG A 40 3.988 -26.782 5.047 1.00 11.44 N ATOM 0 H ARG A 40 -1.763 -31.477 8.804 1.00 34.01 H new ATOM 0 HA ARG A 40 -0.778 -32.166 6.258 1.00 73.21 H new ATOM 0 HB2 ARG A 40 -0.571 -29.946 7.376 1.00 4.23 H new ATOM 0 HB3 ARG A 40 0.538 -30.642 8.541 1.00 4.23 H new ATOM 0 HG2 ARG A 40 2.293 -30.512 7.123 1.00 42.31 H new ATOM 0 HG3 ARG A 40 1.378 -31.173 5.781 1.00 42.31 H new ATOM 0 HD2 ARG A 40 0.792 -29.109 4.976 1.00 23.14 H new ATOM 0 HD3 ARG A 40 0.586 -28.422 6.575 1.00 23.14 H new ATOM 0 HE ARG A 40 3.330 -28.776 6.382 1.00 41.21 H new ATOM 0 HH11 ARG A 40 0.854 -27.187 4.431 1.00 42.22 H new ATOM 0 HH12 ARG A 40 1.963 -25.957 3.816 1.00 42.22 H new ATOM 0 HH21 ARG A 40 4.750 -27.192 5.587 1.00 11.44 H new ATOM 0 HH22 ARG A 40 4.159 -25.960 4.467 1.00 11.44 H new ATOM 656 N SER A 41 1.019 -33.296 8.805 1.00 15.11 N ATOM 657 CA SER A 41 2.006 -34.300 9.185 1.00 13.43 C ATOM 658 C SER A 41 1.522 -35.701 8.825 1.00 30.00 C ATOM 659 O SER A 41 2.291 -36.530 8.336 1.00 2.41 O ATOM 660 CB SER A 41 2.296 -34.218 10.685 1.00 12.22 C ATOM 661 OG SER A 41 2.955 -35.386 11.142 1.00 60.24 O ATOM 0 H SER A 41 0.703 -32.704 9.573 1.00 15.11 H new ATOM 0 HA SER A 41 2.924 -34.099 8.633 1.00 13.43 H new ATOM 0 HB2 SER A 41 2.913 -33.344 10.892 1.00 12.22 H new ATOM 0 HB3 SER A 41 1.363 -34.086 11.232 1.00 12.22 H new ATOM 0 HG SER A 41 3.130 -35.308 12.103 1.00 60.24 H new ATOM 667 N LEU A 42 0.242 -35.959 9.070 1.00 22.31 N ATOM 668 CA LEU A 42 -0.346 -37.260 8.772 1.00 35.41 C ATOM 669 C LEU A 42 -0.323 -37.538 7.272 1.00 32.04 C ATOM 670 O LEU A 42 0.063 -38.623 6.838 1.00 52.31 O ATOM 671 CB LEU A 42 -1.784 -37.323 9.292 1.00 41.14 C ATOM 672 CG LEU A 42 -2.646 -38.462 8.746 1.00 23.23 C ATOM 673 CD1 LEU A 42 -3.506 -39.056 9.851 1.00 60.43 C ATOM 674 CD2 LEU A 42 -3.514 -37.971 7.597 1.00 30.22 C ATOM 0 H LEU A 42 -0.408 -35.285 9.474 1.00 22.31 H new ATOM 0 HA LEU A 42 0.249 -38.023 9.273 1.00 35.41 H new ATOM 0 HB2 LEU A 42 -1.753 -37.406 10.378 1.00 41.14 H new ATOM 0 HB3 LEU A 42 -2.275 -36.378 9.059 1.00 41.14 H new ATOM 0 HG LEU A 42 -1.986 -39.243 8.367 1.00 23.23 H new ATOM 0 HD11 LEU A 42 -4.113 -39.865 9.445 1.00 60.43 H new ATOM 0 HD12 LEU A 42 -2.865 -39.445 10.642 1.00 60.43 H new ATOM 0 HD13 LEU A 42 -4.158 -38.284 10.260 1.00 60.43 H new ATOM 0 HD21 LEU A 42 -4.120 -38.795 7.221 1.00 30.22 H new ATOM 0 HD22 LEU A 42 -4.166 -37.172 7.949 1.00 30.22 H new ATOM 0 HD23 LEU A 42 -2.878 -37.594 6.796 1.00 30.22 H new ATOM 686 N ALA A 43 -0.737 -36.549 6.486 1.00 21.54 N ATOM 687 CA ALA A 43 -0.759 -36.686 5.035 1.00 14.33 C ATOM 688 C ALA A 43 0.604 -37.113 4.503 1.00 42.02 C ATOM 689 O ALA A 43 0.729 -38.144 3.842 1.00 63.34 O ATOM 690 CB ALA A 43 -1.195 -35.379 4.389 1.00 4.22 C ATOM 0 H ALA A 43 -1.061 -35.645 6.830 1.00 21.54 H new ATOM 0 HA ALA A 43 -1.479 -37.463 4.779 1.00 14.33 H new ATOM 0 HB1 ALA A 43 -1.207 -35.495 3.305 1.00 4.22 H new ATOM 0 HB2 ALA A 43 -2.194 -35.117 4.737 1.00 4.22 H new ATOM 0 HB3 ALA A 43 -0.497 -34.588 4.661 1.00 4.22 H new ATOM 1082 N GLU A 67 -9.250 -38.248 -12.272 1.00 74.14 N ATOM 1083 CA GLU A 67 -8.775 -37.689 -13.532 1.00 45.12 C ATOM 1084 C GLU A 67 -9.732 -38.024 -14.672 1.00 62.23 C ATOM 1085 O GLU A 67 -10.255 -37.133 -15.342 1.00 31.14 O ATOM 1086 CB GLU A 67 -7.375 -38.218 -13.854 1.00 53.32 C ATOM 1087 CG GLU A 67 -6.257 -37.392 -13.242 1.00 4.41 C ATOM 1088 CD GLU A 67 -5.247 -36.922 -14.272 1.00 31.54 C ATOM 1089 OE1 GLU A 67 -4.997 -37.671 -15.240 1.00 1.41 O ATOM 1090 OE2 GLU A 67 -4.707 -35.808 -14.109 1.00 73.33 O ATOM 0 HA GLU A 67 -8.731 -36.605 -13.425 1.00 45.12 H new ATOM 0 HB2 GLU A 67 -7.293 -39.245 -13.498 1.00 53.32 H new ATOM 0 HB3 GLU A 67 -7.246 -38.244 -14.936 1.00 53.32 H new ATOM 0 HG2 GLU A 67 -6.685 -36.526 -12.737 1.00 4.41 H new ATOM 0 HG3 GLU A 67 -5.747 -37.984 -12.482 1.00 4.41 H new ATOM 1097 N LYS A 68 -9.956 -39.316 -14.888 1.00 42.13 N ATOM 1098 CA LYS A 68 -10.850 -39.772 -15.946 1.00 42.51 C ATOM 1099 C LYS A 68 -12.221 -39.116 -15.819 1.00 74.21 C ATOM 1100 O LYS A 68 -12.824 -38.717 -16.815 1.00 64.44 O ATOM 1101 CB LYS A 68 -10.994 -41.294 -15.900 1.00 32.45 C ATOM 1102 CG LYS A 68 -9.718 -42.037 -16.253 1.00 65.43 C ATOM 1103 CD LYS A 68 -9.770 -42.596 -17.665 1.00 55.04 C ATOM 1104 CE LYS A 68 -8.423 -42.481 -18.361 1.00 41.12 C ATOM 1105 NZ LYS A 68 -8.493 -42.919 -19.783 1.00 14.32 N ATOM 0 H LYS A 68 -9.530 -40.066 -14.344 1.00 42.13 H new ATOM 0 HA LYS A 68 -10.416 -39.484 -16.904 1.00 42.51 H new ATOM 0 HB2 LYS A 68 -11.312 -41.590 -14.900 1.00 32.45 H new ATOM 0 HB3 LYS A 68 -11.783 -41.597 -16.588 1.00 32.45 H new ATOM 0 HG2 LYS A 68 -8.866 -41.364 -16.159 1.00 65.43 H new ATOM 0 HG3 LYS A 68 -9.562 -42.850 -15.544 1.00 65.43 H new ATOM 0 HD2 LYS A 68 -10.075 -43.642 -17.632 1.00 55.04 H new ATOM 0 HD3 LYS A 68 -10.525 -42.061 -18.241 1.00 55.04 H new ATOM 0 HE2 LYS A 68 -8.078 -41.448 -18.316 1.00 41.12 H new ATOM 0 HE3 LYS A 68 -7.688 -43.086 -17.831 1.00 41.12 H new ATOM 0 HZ1 LYS A 68 -7.555 -42.825 -20.222 1.00 14.32 H new ATOM 0 HZ2 LYS A 68 -8.797 -43.913 -19.826 1.00 14.32 H new ATOM 0 HZ3 LYS A 68 -9.176 -42.325 -20.296 1.00 14.32 H new ATOM 1119 N ALA A 69 -12.708 -39.007 -14.587 1.00 73.34 N ATOM 1120 CA ALA A 69 -14.007 -38.397 -14.331 1.00 21.15 C ATOM 1121 C ALA A 69 -13.947 -36.884 -14.509 1.00 12.24 C ATOM 1122 O ALA A 69 -14.976 -36.226 -14.662 1.00 34.10 O ATOM 1123 CB ALA A 69 -14.487 -38.747 -12.930 1.00 23.13 C ATOM 0 H ALA A 69 -12.223 -39.333 -13.751 1.00 73.34 H new ATOM 0 HA ALA A 69 -14.717 -38.794 -15.056 1.00 21.15 H new ATOM 0 HB1 ALA A 69 -15.458 -38.285 -12.752 1.00 23.13 H new ATOM 0 HB2 ALA A 69 -14.577 -39.829 -12.836 1.00 23.13 H new ATOM 0 HB3 ALA A 69 -13.770 -38.378 -12.197 1.00 23.13 H new ATOM 1129 N SER A 70 -12.736 -36.337 -14.486 1.00 63.24 N ATOM 1130 CA SER A 70 -12.542 -34.900 -14.641 1.00 35.21 C ATOM 1131 C SER A 70 -11.778 -34.590 -15.924 1.00 5.31 C ATOM 1132 O SER A 70 -11.357 -33.455 -16.151 1.00 3.54 O ATOM 1133 CB SER A 70 -11.791 -34.333 -13.435 1.00 45.24 C ATOM 1134 OG SER A 70 -12.567 -34.437 -12.255 1.00 12.23 O ATOM 0 H SER A 70 -11.874 -36.868 -14.361 1.00 63.24 H new ATOM 0 HA SER A 70 -13.523 -34.430 -14.702 1.00 35.21 H new ATOM 0 HB2 SER A 70 -10.851 -34.869 -13.304 1.00 45.24 H new ATOM 0 HB3 SER A 70 -11.540 -33.288 -13.618 1.00 45.24 H new ATOM 0 HG SER A 70 -12.064 -34.069 -11.499 1.00 12.23 H new ATOM 1140 N LEU A 71 -11.601 -35.606 -16.760 1.00 70.55 N ATOM 1141 CA LEU A 71 -10.887 -35.444 -18.022 1.00 63.10 C ATOM 1142 C LEU A 71 -11.758 -35.868 -19.200 1.00 14.22 C ATOM 1143 O LEU A 71 -11.555 -35.422 -20.330 1.00 1.13 O ATOM 1144 CB LEU A 71 -9.595 -36.263 -18.008 1.00 62.14 C ATOM 1145 CG LEU A 71 -8.310 -35.486 -17.717 1.00 55.03 C ATOM 1146 CD1 LEU A 71 -8.274 -35.041 -16.264 1.00 24.15 C ATOM 1147 CD2 LEU A 71 -7.089 -36.331 -18.050 1.00 11.33 C ATOM 0 H LEU A 71 -11.942 -36.552 -16.587 1.00 70.55 H new ATOM 0 HA LEU A 71 -10.641 -34.389 -18.138 1.00 63.10 H new ATOM 0 HB2 LEU A 71 -9.696 -37.051 -17.262 1.00 62.14 H new ATOM 0 HB3 LEU A 71 -9.488 -36.753 -18.976 1.00 62.14 H new ATOM 0 HG LEU A 71 -8.294 -34.597 -18.348 1.00 55.03 H new ATOM 0 HD11 LEU A 71 -7.353 -34.490 -16.075 1.00 24.15 H new ATOM 0 HD12 LEU A 71 -9.130 -34.398 -16.059 1.00 24.15 H new ATOM 0 HD13 LEU A 71 -8.313 -35.916 -15.615 1.00 24.15 H new ATOM 0 HD21 LEU A 71 -6.184 -35.762 -17.837 1.00 11.33 H new ATOM 0 HD22 LEU A 71 -7.098 -37.238 -17.446 1.00 11.33 H new ATOM 0 HD23 LEU A 71 -7.109 -36.599 -19.106 1.00 11.33 H new ATOM 1159 N THR A 72 -12.733 -36.731 -18.928 1.00 43.43 N ATOM 1160 CA THR A 72 -13.637 -37.214 -19.964 1.00 45.24 C ATOM 1161 C THR A 72 -13.913 -36.131 -21.001 1.00 60.35 C ATOM 1162 O THR A 72 -13.709 -36.337 -22.197 1.00 25.31 O ATOM 1163 CB THR A 72 -14.974 -37.689 -19.366 1.00 70.32 C ATOM 1164 OG1 THR A 72 -15.377 -36.812 -18.309 1.00 13.21 O ATOM 1165 CG2 THR A 72 -14.855 -39.110 -18.835 1.00 41.15 C ATOM 0 H THR A 72 -12.916 -37.109 -17.999 1.00 43.43 H new ATOM 0 HA THR A 72 -13.143 -38.058 -20.446 1.00 45.24 H new ATOM 0 HB THR A 72 -15.725 -37.675 -20.156 1.00 70.32 H new ATOM 0 HG1 THR A 72 -16.229 -37.120 -17.935 1.00 13.21 H new ATOM 0 HG21 THR A 72 -15.812 -39.424 -18.417 1.00 41.15 H new ATOM 0 HG22 THR A 72 -14.577 -39.780 -19.648 1.00 41.15 H new ATOM 0 HG23 THR A 72 -14.091 -39.145 -18.058 1.00 41.15 H new ATOM 1173 N ASN A 73 -14.378 -34.977 -20.535 1.00 54.14 N ATOM 1174 CA ASN A 73 -14.683 -33.861 -21.424 1.00 23.02 C ATOM 1175 C ASN A 73 -14.202 -32.543 -20.826 1.00 5.44 C ATOM 1176 O ASN A 73 -14.881 -31.520 -20.922 1.00 41.42 O ATOM 1177 CB ASN A 73 -16.187 -33.793 -21.694 1.00 12.44 C ATOM 1178 CG ASN A 73 -16.987 -34.651 -20.733 1.00 23.04 C ATOM 1179 OD1 ASN A 73 -17.345 -35.786 -21.047 1.00 64.13 O ATOM 1180 ND2 ASN A 73 -17.271 -34.111 -19.553 1.00 43.01 N ATOM 0 H ASN A 73 -14.552 -34.790 -19.548 1.00 54.14 H new ATOM 0 HA ASN A 73 -14.159 -34.025 -22.366 1.00 23.02 H new ATOM 0 HB2 ASN A 73 -16.521 -32.758 -21.617 1.00 12.44 H new ATOM 0 HB3 ASN A 73 -16.385 -34.116 -22.716 1.00 12.44 H new ATOM 0 HD21 ASN A 73 -17.806 -34.641 -18.865 1.00 43.01 H new ATOM 0 HD22 ASN A 73 -16.954 -33.166 -19.335 1.00 43.01 H new ATOM 1187 N LEU A 74 -13.026 -32.574 -20.208 1.00 42.21 N ATOM 1188 CA LEU A 74 -12.452 -31.381 -19.594 1.00 71.23 C ATOM 1189 C LEU A 74 -11.075 -31.078 -20.177 1.00 13.25 C ATOM 1190 O LEU A 74 -10.314 -30.285 -19.620 1.00 73.23 O ATOM 1191 CB LEU A 74 -12.349 -31.563 -18.079 1.00 2.00 C ATOM 1192 CG LEU A 74 -13.624 -32.019 -17.369 1.00 71.12 C ATOM 1193 CD1 LEU A 74 -13.578 -31.645 -15.896 1.00 0.21 C ATOM 1194 CD2 LEU A 74 -14.851 -31.415 -18.037 1.00 30.03 C ATOM 0 H LEU A 74 -12.451 -33.412 -20.119 1.00 42.21 H new ATOM 0 HA LEU A 74 -13.110 -30.539 -19.808 1.00 71.23 H new ATOM 0 HB2 LEU A 74 -11.563 -32.290 -17.873 1.00 2.00 H new ATOM 0 HB3 LEU A 74 -12.031 -30.617 -17.640 1.00 2.00 H new ATOM 0 HG LEU A 74 -13.691 -33.104 -17.445 1.00 71.12 H new ATOM 0 HD11 LEU A 74 -14.494 -31.978 -15.407 1.00 0.21 H new ATOM 0 HD12 LEU A 74 -12.720 -32.126 -15.425 1.00 0.21 H new ATOM 0 HD13 LEU A 74 -13.487 -30.563 -15.798 1.00 0.21 H new ATOM 0 HD21 LEU A 74 -15.749 -31.750 -17.519 1.00 30.03 H new ATOM 0 HD22 LEU A 74 -14.791 -30.328 -17.993 1.00 30.03 H new ATOM 0 HD23 LEU A 74 -14.892 -31.734 -19.078 1.00 30.03 H new ATOM 1206 N THR A 75 -10.761 -31.712 -21.302 1.00 33.21 N ATOM 1207 CA THR A 75 -9.477 -31.510 -21.961 1.00 11.33 C ATOM 1208 C THR A 75 -9.460 -32.156 -23.341 1.00 45.33 C ATOM 1209 O THR A 75 -10.057 -33.208 -23.569 1.00 14.43 O ATOM 1210 CB THR A 75 -8.319 -32.084 -21.123 1.00 32.11 C ATOM 1211 OG1 THR A 75 -8.838 -32.800 -19.996 1.00 43.31 O ATOM 1212 CG2 THR A 75 -7.395 -30.974 -20.644 1.00 34.41 C ATOM 0 H THR A 75 -11.379 -32.370 -21.776 1.00 33.21 H new ATOM 0 HA THR A 75 -9.341 -30.434 -22.065 1.00 11.33 H new ATOM 0 HB THR A 75 -7.746 -32.765 -21.753 1.00 32.11 H new ATOM 0 HG1 THR A 75 -8.386 -32.498 -19.180 1.00 43.31 H new ATOM 0 HG21 THR A 75 -6.585 -31.404 -20.054 1.00 34.41 H new ATOM 0 HG22 THR A 75 -6.979 -30.450 -21.505 1.00 34.41 H new ATOM 0 HG23 THR A 75 -7.958 -30.272 -20.029 1.00 34.41 H new ATOM 1220 N PRO A 76 -8.758 -31.514 -24.287 1.00 4.30 N ATOM 1221 CA PRO A 76 -8.644 -32.009 -25.662 1.00 33.00 C ATOM 1222 C PRO A 76 -7.798 -33.274 -25.755 1.00 33.25 C ATOM 1223 O PRO A 76 -8.096 -34.174 -26.539 1.00 62.12 O ATOM 1224 CB PRO A 76 -7.962 -30.854 -26.400 1.00 31.41 C ATOM 1225 CG PRO A 76 -7.206 -30.124 -25.344 1.00 72.12 C ATOM 1226 CD PRO A 76 -8.020 -30.255 -24.087 1.00 30.05 C ATOM 0 HA PRO A 76 -9.613 -32.285 -26.077 1.00 33.00 H new ATOM 0 HB2 PRO A 76 -7.296 -31.221 -27.181 1.00 31.41 H new ATOM 0 HB3 PRO A 76 -8.693 -30.206 -26.883 1.00 31.41 H new ATOM 0 HG2 PRO A 76 -6.211 -30.550 -25.211 1.00 72.12 H new ATOM 0 HG3 PRO A 76 -7.071 -29.077 -25.614 1.00 72.12 H new ATOM 0 HD2 PRO A 76 -7.387 -30.297 -23.201 1.00 30.05 H new ATOM 0 HD3 PRO A 76 -8.696 -29.410 -23.956 1.00 30.05 H new ATOM 1234 N GLU A 77 -6.743 -33.336 -24.948 1.00 13.41 N ATOM 1235 CA GLU A 77 -5.855 -34.492 -24.940 1.00 44.43 C ATOM 1236 C GLU A 77 -6.651 -35.790 -24.842 1.00 50.45 C ATOM 1237 O GLU A 77 -6.268 -36.811 -25.415 1.00 13.11 O ATOM 1238 CB GLU A 77 -4.868 -34.397 -23.775 1.00 0.33 C ATOM 1239 CG GLU A 77 -3.651 -33.538 -24.076 1.00 11.04 C ATOM 1240 CD GLU A 77 -2.510 -34.334 -24.679 1.00 52.11 C ATOM 1241 OE1 GLU A 77 -2.314 -35.497 -24.268 1.00 55.40 O ATOM 1242 OE2 GLU A 77 -1.813 -33.793 -25.563 1.00 72.33 O ATOM 0 H GLU A 77 -6.483 -32.600 -24.292 1.00 13.41 H new ATOM 0 HA GLU A 77 -5.300 -34.497 -25.878 1.00 44.43 H new ATOM 0 HB2 GLU A 77 -5.384 -33.989 -22.905 1.00 0.33 H new ATOM 0 HB3 GLU A 77 -4.537 -35.400 -23.508 1.00 0.33 H new ATOM 0 HG2 GLU A 77 -3.935 -32.740 -24.762 1.00 11.04 H new ATOM 0 HG3 GLU A 77 -3.311 -33.062 -23.157 1.00 11.04 H new ATOM 1249 N LEU A 78 -7.760 -35.742 -24.113 1.00 72.40 N ATOM 1250 CA LEU A 78 -8.612 -36.914 -23.939 1.00 23.03 C ATOM 1251 C LEU A 78 -9.319 -37.272 -25.242 1.00 12.22 C ATOM 1252 O LEU A 78 -9.106 -38.347 -25.802 1.00 35.53 O ATOM 1253 CB LEU A 78 -9.643 -36.660 -22.838 1.00 73.01 C ATOM 1254 CG LEU A 78 -9.164 -36.885 -21.404 1.00 23.32 C ATOM 1255 CD1 LEU A 78 -8.436 -38.216 -21.287 1.00 13.31 C ATOM 1256 CD2 LEU A 78 -8.264 -35.742 -20.956 1.00 71.45 C ATOM 0 H LEU A 78 -8.091 -34.905 -23.633 1.00 72.40 H new ATOM 0 HA LEU A 78 -7.979 -37.753 -23.649 1.00 23.03 H new ATOM 0 HB2 LEU A 78 -9.992 -35.631 -22.926 1.00 73.01 H new ATOM 0 HB3 LEU A 78 -10.503 -37.305 -23.018 1.00 73.01 H new ATOM 0 HG LEU A 78 -10.036 -36.912 -20.750 1.00 23.32 H new ATOM 0 HD11 LEU A 78 -8.102 -38.359 -20.259 1.00 13.31 H new ATOM 0 HD12 LEU A 78 -9.111 -39.025 -21.565 1.00 13.31 H new ATOM 0 HD13 LEU A 78 -7.573 -38.218 -21.952 1.00 13.31 H new ATOM 0 HD21 LEU A 78 -7.933 -35.919 -19.933 1.00 71.45 H new ATOM 0 HD22 LEU A 78 -7.396 -35.683 -21.613 1.00 71.45 H new ATOM 0 HD23 LEU A 78 -8.818 -34.804 -21.001 1.00 71.45 H new ATOM 1268 N LYS A 79 -10.160 -36.362 -25.721 1.00 54.14 N ATOM 1269 CA LYS A 79 -10.897 -36.578 -26.961 1.00 34.43 C ATOM 1270 C LYS A 79 -9.984 -37.140 -28.046 1.00 33.44 C ATOM 1271 O LYS A 79 -10.393 -37.992 -28.834 1.00 72.21 O ATOM 1272 CB LYS A 79 -11.528 -35.269 -27.438 1.00 55.44 C ATOM 1273 CG LYS A 79 -12.700 -34.812 -26.586 1.00 51.35 C ATOM 1274 CD LYS A 79 -13.485 -33.703 -27.267 1.00 11.44 C ATOM 1275 CE LYS A 79 -13.081 -32.333 -26.744 1.00 43.53 C ATOM 1276 NZ LYS A 79 -13.132 -31.295 -27.811 1.00 54.21 N ATOM 0 H LYS A 79 -10.349 -35.467 -25.269 1.00 54.14 H new ATOM 0 HA LYS A 79 -11.686 -37.303 -26.763 1.00 34.43 H new ATOM 0 HB2 LYS A 79 -10.767 -34.489 -27.442 1.00 55.44 H new ATOM 0 HB3 LYS A 79 -11.864 -35.392 -28.468 1.00 55.44 H new ATOM 0 HG2 LYS A 79 -13.359 -35.657 -26.389 1.00 51.35 H new ATOM 0 HG3 LYS A 79 -12.335 -34.461 -25.621 1.00 51.35 H new ATOM 0 HD2 LYS A 79 -13.319 -33.746 -28.343 1.00 11.44 H new ATOM 0 HD3 LYS A 79 -14.552 -33.857 -27.102 1.00 11.44 H new ATOM 0 HE2 LYS A 79 -13.743 -32.047 -25.927 1.00 43.53 H new ATOM 0 HE3 LYS A 79 -12.072 -32.384 -26.334 1.00 43.53 H new ATOM 0 HZ1 LYS A 79 -12.850 -30.376 -27.415 1.00 54.21 H new ATOM 0 HZ2 LYS A 79 -12.482 -31.555 -28.580 1.00 54.21 H new ATOM 0 HZ3 LYS A 79 -14.100 -31.228 -28.185 1.00 54.21 H new ATOM 1290 N ALA A 80 -8.746 -36.659 -28.079 1.00 11.15 N ATOM 1291 CA ALA A 80 -7.775 -37.116 -29.064 1.00 64.13 C ATOM 1292 C ALA A 80 -7.343 -38.552 -28.785 1.00 54.12 C ATOM 1293 O ALA A 80 -7.319 -39.389 -29.687 1.00 73.31 O ATOM 1294 CB ALA A 80 -6.565 -36.193 -29.080 1.00 61.45 C ATOM 0 H ALA A 80 -8.392 -35.952 -27.434 1.00 11.15 H new ATOM 0 HA ALA A 80 -8.251 -37.091 -30.044 1.00 64.13 H new ATOM 0 HB1 ALA A 80 -5.848 -36.546 -29.821 1.00 61.45 H new ATOM 0 HB2 ALA A 80 -6.882 -35.182 -29.336 1.00 61.45 H new ATOM 0 HB3 ALA A 80 -6.098 -36.189 -28.095 1.00 61.45 H new ATOM 1300 N SER A 81 -7.003 -38.829 -27.531 1.00 21.43 N ATOM 1301 CA SER A 81 -6.568 -40.164 -27.134 1.00 10.51 C ATOM 1302 C SER A 81 -7.678 -41.186 -27.358 1.00 13.23 C ATOM 1303 O SER A 81 -7.448 -42.255 -27.922 1.00 42.32 O ATOM 1304 CB SER A 81 -6.143 -40.168 -25.664 1.00 74.52 C ATOM 1305 OG SER A 81 -4.803 -39.732 -25.519 1.00 60.11 O ATOM 0 H SER A 81 -7.020 -38.148 -26.772 1.00 21.43 H new ATOM 0 HA SER A 81 -5.714 -40.441 -27.752 1.00 10.51 H new ATOM 0 HB2 SER A 81 -6.804 -39.519 -25.089 1.00 74.52 H new ATOM 0 HB3 SER A 81 -6.248 -41.173 -25.255 1.00 74.52 H new ATOM 0 HG SER A 81 -4.557 -39.742 -24.571 1.00 60.11 H new ATOM 1311 N MET A 82 -8.883 -40.848 -26.911 1.00 34.45 N ATOM 1312 CA MET A 82 -10.031 -41.736 -27.063 1.00 4.14 C ATOM 1313 C MET A 82 -10.376 -41.930 -28.536 1.00 30.34 C ATOM 1314 O MET A 82 -10.700 -43.037 -28.966 1.00 63.40 O ATOM 1315 CB MET A 82 -11.240 -41.174 -26.313 1.00 30.21 C ATOM 1316 CG MET A 82 -10.906 -40.655 -24.924 1.00 14.51 C ATOM 1317 SD MET A 82 -12.034 -41.275 -23.661 1.00 1.21 S ATOM 1318 CE MET A 82 -11.158 -42.739 -23.115 1.00 13.21 C ATOM 0 H MET A 82 -9.090 -39.967 -26.441 1.00 34.45 H new ATOM 0 HA MET A 82 -9.769 -42.705 -26.639 1.00 4.14 H new ATOM 0 HB2 MET A 82 -11.677 -40.365 -26.899 1.00 30.21 H new ATOM 0 HB3 MET A 82 -11.999 -41.952 -26.228 1.00 30.21 H new ATOM 0 HG2 MET A 82 -9.886 -40.943 -24.668 1.00 14.51 H new ATOM 0 HG3 MET A 82 -10.937 -39.565 -24.930 1.00 14.51 H new ATOM 0 HE1 MET A 82 -11.731 -43.235 -22.331 1.00 13.21 H new ATOM 0 HE2 MET A 82 -11.028 -43.420 -23.956 1.00 13.21 H new ATOM 0 HE3 MET A 82 -10.181 -42.454 -22.725 1.00 13.21 H new ATOM 1328 N ASP A 83 -10.305 -40.848 -29.303 1.00 34.21 N ATOM 1329 CA ASP A 83 -10.610 -40.900 -30.728 1.00 70.21 C ATOM 1330 C ASP A 83 -9.655 -41.843 -31.454 1.00 32.02 C ATOM 1331 O ASP A 83 -10.066 -42.604 -32.329 1.00 20.10 O ATOM 1332 CB ASP A 83 -10.528 -39.501 -31.340 1.00 73.02 C ATOM 1333 CG ASP A 83 -11.814 -38.717 -31.167 1.00 33.14 C ATOM 1334 OD1 ASP A 83 -12.811 -39.308 -30.700 1.00 11.54 O ATOM 1335 OD2 ASP A 83 -11.824 -37.513 -31.497 1.00 22.03 O ATOM 0 H ASP A 83 -10.039 -39.924 -28.962 1.00 34.21 H new ATOM 0 HA ASP A 83 -11.625 -41.280 -30.844 1.00 70.21 H new ATOM 0 HB2 ASP A 83 -9.707 -38.953 -30.878 1.00 73.02 H new ATOM 0 HB3 ASP A 83 -10.297 -39.585 -32.402 1.00 73.02 H new ATOM 1340 N GLU A 84 -8.380 -41.785 -31.084 1.00 65.11 N ATOM 1341 CA GLU A 84 -7.367 -42.633 -31.702 1.00 43.20 C ATOM 1342 C GLU A 84 -7.534 -44.086 -31.267 1.00 12.10 C ATOM 1343 O GLU A 84 -7.315 -45.010 -32.052 1.00 14.15 O ATOM 1344 CB GLU A 84 -5.965 -42.138 -31.338 1.00 70.44 C ATOM 1345 CG GLU A 84 -5.400 -41.130 -32.325 1.00 33.12 C ATOM 1346 CD GLU A 84 -3.985 -41.464 -32.755 1.00 72.30 C ATOM 1347 OE1 GLU A 84 -3.261 -42.106 -31.966 1.00 63.34 O ATOM 1348 OE2 GLU A 84 -3.603 -41.084 -33.881 1.00 43.44 O ATOM 0 H GLU A 84 -8.024 -41.161 -30.360 1.00 65.11 H new ATOM 0 HA GLU A 84 -7.495 -42.579 -32.783 1.00 43.20 H new ATOM 0 HB2 GLU A 84 -5.995 -41.686 -30.347 1.00 70.44 H new ATOM 0 HB3 GLU A 84 -5.291 -42.993 -31.279 1.00 70.44 H new ATOM 0 HG2 GLU A 84 -6.043 -41.089 -33.204 1.00 33.12 H new ATOM 0 HG3 GLU A 84 -5.414 -40.138 -31.873 1.00 33.12 H new ATOM 1355 N LEU A 85 -7.923 -44.280 -30.012 1.00 21.23 N ATOM 1356 CA LEU A 85 -8.120 -45.621 -29.470 1.00 43.55 C ATOM 1357 C LEU A 85 -9.389 -46.253 -30.031 1.00 35.01 C ATOM 1358 O LEU A 85 -9.451 -47.464 -30.241 1.00 64.54 O ATOM 1359 CB LEU A 85 -8.193 -45.570 -27.943 1.00 43.44 C ATOM 1360 CG LEU A 85 -6.894 -45.882 -27.199 1.00 34.45 C ATOM 1361 CD1 LEU A 85 -6.082 -44.614 -26.986 1.00 72.31 C ATOM 1362 CD2 LEU A 85 -7.193 -46.556 -25.867 1.00 65.31 C ATOM 0 H LEU A 85 -8.108 -43.526 -29.350 1.00 21.23 H new ATOM 0 HA LEU A 85 -7.269 -46.235 -29.766 1.00 43.55 H new ATOM 0 HB2 LEU A 85 -8.527 -44.575 -27.648 1.00 43.44 H new ATOM 0 HB3 LEU A 85 -8.956 -46.274 -27.612 1.00 43.44 H new ATOM 0 HG LEU A 85 -6.304 -46.568 -27.808 1.00 34.45 H new ATOM 0 HD11 LEU A 85 -5.161 -44.856 -26.455 1.00 72.31 H new ATOM 0 HD12 LEU A 85 -5.838 -44.172 -27.952 1.00 72.31 H new ATOM 0 HD13 LEU A 85 -6.664 -43.904 -26.398 1.00 72.31 H new ATOM 0 HD21 LEU A 85 -6.258 -46.771 -25.350 1.00 65.31 H new ATOM 0 HD22 LEU A 85 -7.803 -45.893 -25.253 1.00 65.31 H new ATOM 0 HD23 LEU A 85 -7.733 -47.486 -26.043 1.00 65.31 H new ATOM 1374 N ARG A 86 -10.400 -45.425 -30.272 1.00 53.41 N ATOM 1375 CA ARG A 86 -11.668 -45.903 -30.809 1.00 55.33 C ATOM 1376 C ARG A 86 -11.527 -46.285 -32.280 1.00 4.13 C ATOM 1377 O ARG A 86 -11.919 -47.378 -32.687 1.00 2.02 O ATOM 1378 CB ARG A 86 -12.750 -44.832 -30.652 1.00 4.13 C ATOM 1379 CG ARG A 86 -14.133 -45.399 -30.380 1.00 55.05 C ATOM 1380 CD ARG A 86 -14.724 -44.838 -29.096 1.00 43.54 C ATOM 1381 NE ARG A 86 -16.141 -44.515 -29.241 1.00 4.53 N ATOM 1382 CZ ARG A 86 -17.104 -45.429 -29.267 1.00 1.10 C ATOM 1383 NH1 ARG A 86 -16.804 -46.716 -29.159 1.00 0.22 N ATOM 1384 NH2 ARG A 86 -18.370 -45.056 -29.401 1.00 74.42 N ATOM 0 H ARG A 86 -10.366 -44.420 -30.104 1.00 53.41 H new ATOM 0 HA ARG A 86 -11.959 -46.790 -30.247 1.00 55.33 H new ATOM 0 HB2 ARG A 86 -12.473 -44.165 -29.836 1.00 4.13 H new ATOM 0 HB3 ARG A 86 -12.786 -44.228 -31.559 1.00 4.13 H new ATOM 0 HG2 ARG A 86 -14.793 -45.168 -31.216 1.00 55.05 H new ATOM 0 HG3 ARG A 86 -14.075 -46.485 -30.310 1.00 55.05 H new ATOM 0 HD2 ARG A 86 -14.598 -45.563 -28.292 1.00 43.54 H new ATOM 0 HD3 ARG A 86 -14.176 -43.942 -28.806 1.00 43.54 H new ATOM 0 HE ARG A 86 -16.405 -43.534 -29.327 1.00 4.53 H new ATOM 0 HH11 ARG A 86 -15.832 -47.006 -29.056 1.00 0.22 H new ATOM 0 HH12 ARG A 86 -17.546 -47.416 -29.179 1.00 0.22 H new ATOM 0 HH21 ARG A 86 -18.604 -44.067 -29.484 1.00 74.42 H new ATOM 0 HH22 ARG A 86 -19.109 -45.758 -29.421 1.00 74.42 H new ATOM 1398 N GLN A 87 -10.964 -45.377 -33.070 1.00 50.53 N ATOM 1399 CA GLN A 87 -10.772 -45.619 -34.495 1.00 41.33 C ATOM 1400 C GLN A 87 -9.807 -46.777 -34.725 1.00 41.04 C ATOM 1401 O GLN A 87 -10.032 -47.622 -35.591 1.00 65.03 O ATOM 1402 CB GLN A 87 -10.246 -44.357 -35.182 1.00 71.11 C ATOM 1403 CG GLN A 87 -11.189 -43.169 -35.077 1.00 21.20 C ATOM 1404 CD GLN A 87 -11.698 -42.707 -36.428 1.00 12.11 C ATOM 1405 OE1 GLN A 87 -12.291 -43.482 -37.179 1.00 14.30 O ATOM 1406 NE2 GLN A 87 -11.469 -41.438 -36.745 1.00 1.13 N ATOM 0 H GLN A 87 -10.633 -44.468 -32.748 1.00 50.53 H new ATOM 0 HA GLN A 87 -11.737 -45.883 -34.926 1.00 41.33 H new ATOM 0 HB2 GLN A 87 -9.285 -44.088 -34.743 1.00 71.11 H new ATOM 0 HB3 GLN A 87 -10.065 -44.575 -36.235 1.00 71.11 H new ATOM 0 HG2 GLN A 87 -12.036 -43.437 -34.446 1.00 21.20 H new ATOM 0 HG3 GLN A 87 -10.674 -42.344 -34.585 1.00 21.20 H new ATOM 0 HE21 GLN A 87 -10.974 -40.831 -36.092 1.00 1.13 H new ATOM 0 HE22 GLN A 87 -11.789 -41.071 -37.641 1.00 1.13 H new ATOM 1415 N ALA A 88 -8.732 -46.809 -33.945 1.00 21.14 N ATOM 1416 CA ALA A 88 -7.734 -47.865 -34.062 1.00 45.53 C ATOM 1417 C ALA A 88 -8.308 -49.213 -33.643 1.00 74.32 C ATOM 1418 O ALA A 88 -8.089 -50.226 -34.308 1.00 10.43 O ATOM 1419 CB ALA A 88 -6.508 -47.528 -33.225 1.00 53.23 C ATOM 0 H ALA A 88 -8.530 -46.116 -33.225 1.00 21.14 H new ATOM 0 HA ALA A 88 -7.438 -47.936 -35.109 1.00 45.53 H new ATOM 0 HB1 ALA A 88 -5.771 -48.325 -33.322 1.00 53.23 H new ATOM 0 HB2 ALA A 88 -6.076 -46.590 -33.574 1.00 53.23 H new ATOM 0 HB3 ALA A 88 -6.798 -47.427 -32.179 1.00 53.23 H new ATOM 1425 N ALA A 89 -9.044 -49.220 -32.537 1.00 15.53 N ATOM 1426 CA ALA A 89 -9.652 -50.444 -32.030 1.00 42.11 C ATOM 1427 C ALA A 89 -10.772 -50.922 -32.948 1.00 10.52 C ATOM 1428 O ALA A 89 -10.889 -52.114 -33.230 1.00 14.53 O ATOM 1429 CB ALA A 89 -10.179 -50.227 -30.619 1.00 61.04 C ATOM 0 H ALA A 89 -9.234 -48.391 -31.974 1.00 15.53 H new ATOM 0 HA ALA A 89 -8.884 -51.218 -32.004 1.00 42.11 H new ATOM 0 HB1 ALA A 89 -10.630 -51.149 -30.253 1.00 61.04 H new ATOM 0 HB2 ALA A 89 -9.357 -49.941 -29.963 1.00 61.04 H new ATOM 0 HB3 ALA A 89 -10.928 -49.435 -30.628 1.00 61.04 H new ATOM 1435 N GLU A 90 -11.593 -49.983 -33.410 1.00 21.51 N ATOM 1436 CA GLU A 90 -12.705 -50.311 -34.295 1.00 2.33 C ATOM 1437 C GLU A 90 -12.198 -50.759 -35.663 1.00 1.25 C ATOM 1438 O GLU A 90 -12.652 -51.766 -36.205 1.00 23.30 O ATOM 1439 CB GLU A 90 -13.632 -49.104 -34.453 1.00 11.14 C ATOM 1440 CG GLU A 90 -14.648 -48.966 -33.331 1.00 72.23 C ATOM 1441 CD GLU A 90 -15.290 -47.593 -33.291 1.00 75.14 C ATOM 1442 OE1 GLU A 90 -14.556 -46.601 -33.104 1.00 1.42 O ATOM 1443 OE2 GLU A 90 -16.527 -47.511 -33.447 1.00 44.13 O ATOM 0 H GLU A 90 -11.509 -48.991 -33.187 1.00 21.51 H new ATOM 0 HA GLU A 90 -13.263 -51.133 -33.847 1.00 2.33 H new ATOM 0 HB2 GLU A 90 -13.029 -48.197 -34.500 1.00 11.14 H new ATOM 0 HB3 GLU A 90 -14.161 -49.184 -35.403 1.00 11.14 H new ATOM 0 HG2 GLU A 90 -15.424 -49.722 -33.453 1.00 72.23 H new ATOM 0 HG3 GLU A 90 -14.159 -49.162 -32.377 1.00 72.23 H new ATOM 1450 N SER A 91 -11.255 -50.002 -36.214 1.00 65.45 N ATOM 1451 CA SER A 91 -10.688 -50.318 -37.521 1.00 34.23 C ATOM 1452 C SER A 91 -10.032 -51.696 -37.510 1.00 14.42 C ATOM 1453 O SER A 91 -10.226 -52.494 -38.426 1.00 21.43 O ATOM 1454 CB SER A 91 -9.665 -49.256 -37.927 1.00 24.44 C ATOM 1455 OG SER A 91 -8.510 -49.321 -37.107 1.00 34.11 O ATOM 0 H SER A 91 -10.867 -49.166 -35.777 1.00 65.45 H new ATOM 0 HA SER A 91 -11.499 -50.327 -38.249 1.00 34.23 H new ATOM 0 HB2 SER A 91 -9.383 -49.398 -38.970 1.00 24.44 H new ATOM 0 HB3 SER A 91 -10.114 -48.266 -37.850 1.00 24.44 H new ATOM 0 HG SER A 91 -8.697 -48.895 -36.244 1.00 34.11 H new ATOM 1461 N MET A 92 -9.255 -51.966 -36.466 1.00 14.31 N ATOM 1462 CA MET A 92 -8.571 -53.247 -36.334 1.00 51.23 C ATOM 1463 C MET A 92 -9.573 -54.380 -36.137 1.00 64.44 C ATOM 1464 O MET A 92 -9.420 -55.463 -36.704 1.00 12.21 O ATOM 1465 CB MET A 92 -7.591 -53.207 -35.161 1.00 23.25 C ATOM 1466 CG MET A 92 -6.185 -52.786 -35.557 1.00 0.22 C ATOM 1467 SD MET A 92 -5.263 -52.065 -34.185 1.00 53.10 S ATOM 1468 CE MET A 92 -5.665 -53.211 -32.868 1.00 43.41 C ATOM 0 H MET A 92 -9.083 -51.315 -35.700 1.00 14.31 H new ATOM 0 HA MET A 92 -8.017 -53.432 -37.254 1.00 51.23 H new ATOM 0 HB2 MET A 92 -7.969 -52.517 -34.406 1.00 23.25 H new ATOM 0 HB3 MET A 92 -7.549 -54.193 -34.699 1.00 23.25 H new ATOM 0 HG2 MET A 92 -5.644 -53.652 -35.938 1.00 0.22 H new ATOM 0 HG3 MET A 92 -6.242 -52.063 -36.371 1.00 0.22 H new ATOM 0 HE1 MET A 92 -4.965 -53.078 -32.043 1.00 43.41 H new ATOM 0 HE2 MET A 92 -6.679 -53.021 -32.517 1.00 43.41 H new ATOM 0 HE3 MET A 92 -5.596 -54.233 -33.241 1.00 43.41 H new ATOM 1478 N LYS A 93 -10.597 -54.125 -35.331 1.00 32.22 N ATOM 1479 CA LYS A 93 -11.625 -55.123 -35.059 1.00 61.34 C ATOM 1480 C LYS A 93 -12.611 -55.219 -36.220 1.00 5.23 C ATOM 1481 O LYS A 93 -13.428 -56.138 -36.278 1.00 1.51 O ATOM 1482 CB LYS A 93 -12.372 -54.778 -33.769 1.00 22.30 C ATOM 1483 CG LYS A 93 -13.613 -53.932 -33.992 1.00 41.33 C ATOM 1484 CD LYS A 93 -14.857 -54.792 -34.134 1.00 31.55 C ATOM 1485 CE LYS A 93 -15.723 -54.730 -32.884 1.00 64.33 C ATOM 1486 NZ LYS A 93 -16.990 -53.986 -33.124 1.00 2.30 N ATOM 0 H LYS A 93 -10.738 -53.235 -34.854 1.00 32.22 H new ATOM 0 HA LYS A 93 -11.135 -56.089 -34.940 1.00 61.34 H new ATOM 0 HB2 LYS A 93 -12.658 -55.702 -33.267 1.00 22.30 H new ATOM 0 HB3 LYS A 93 -11.696 -54.247 -33.099 1.00 22.30 H new ATOM 0 HG2 LYS A 93 -13.739 -53.243 -33.157 1.00 41.33 H new ATOM 0 HG3 LYS A 93 -13.485 -53.326 -34.889 1.00 41.33 H new ATOM 0 HD2 LYS A 93 -15.435 -54.458 -34.996 1.00 31.55 H new ATOM 0 HD3 LYS A 93 -14.567 -55.825 -34.326 1.00 31.55 H new ATOM 0 HE2 LYS A 93 -15.954 -55.742 -32.551 1.00 64.33 H new ATOM 0 HE3 LYS A 93 -15.166 -54.249 -32.080 1.00 64.33 H new ATOM 0 HZ1 LYS A 93 -17.552 -53.966 -32.249 1.00 2.30 H new ATOM 0 HZ2 LYS A 93 -16.771 -53.013 -33.417 1.00 2.30 H new ATOM 0 HZ3 LYS A 93 -17.534 -54.459 -33.874 1.00 2.30 H new ATOM 1500 N ARG A 94 -12.527 -54.265 -37.142 1.00 25.25 N ATOM 1501 CA ARG A 94 -13.411 -54.243 -38.300 1.00 50.42 C ATOM 1502 C ARG A 94 -12.765 -54.944 -39.491 1.00 44.24 C ATOM 1503 O ARG A 94 -13.455 -55.476 -40.361 1.00 1.32 O ATOM 1504 CB ARG A 94 -13.762 -52.801 -38.673 1.00 12.05 C ATOM 1505 CG ARG A 94 -14.757 -52.692 -39.817 1.00 20.44 C ATOM 1506 CD ARG A 94 -15.876 -51.715 -39.491 1.00 62.31 C ATOM 1507 NE ARG A 94 -16.274 -50.931 -40.657 1.00 61.10 N ATOM 1508 CZ ARG A 94 -15.573 -49.905 -41.127 1.00 21.31 C ATOM 1509 NH1 ARG A 94 -14.444 -49.542 -40.534 1.00 32.14 N ATOM 1510 NH2 ARG A 94 -16.000 -49.241 -42.193 1.00 15.32 N ATOM 0 H ARG A 94 -11.856 -53.498 -37.109 1.00 25.25 H new ATOM 0 HA ARG A 94 -14.325 -54.777 -38.038 1.00 50.42 H new ATOM 0 HB2 ARG A 94 -14.172 -52.298 -37.797 1.00 12.05 H new ATOM 0 HB3 ARG A 94 -12.848 -52.273 -38.946 1.00 12.05 H new ATOM 0 HG2 ARG A 94 -14.240 -52.367 -40.720 1.00 20.44 H new ATOM 0 HG3 ARG A 94 -15.180 -53.674 -40.028 1.00 20.44 H new ATOM 0 HD2 ARG A 94 -16.738 -52.264 -39.112 1.00 62.31 H new ATOM 0 HD3 ARG A 94 -15.551 -51.044 -38.696 1.00 62.31 H new ATOM 0 HE ARG A 94 -17.137 -51.185 -41.137 1.00 61.10 H new ATOM 0 HH11 ARG A 94 -14.112 -50.051 -39.715 1.00 32.14 H new ATOM 0 HH12 ARG A 94 -13.908 -48.754 -40.897 1.00 32.14 H new ATOM 0 HH21 ARG A 94 -16.867 -49.518 -42.653 1.00 15.32 H new ATOM 0 HH22 ARG A 94 -15.461 -48.453 -42.553 1.00 15.32 H new ATOM 1524 N SER A 95 -11.436 -54.940 -39.524 1.00 42.11 N ATOM 1525 CA SER A 95 -10.696 -55.572 -40.610 1.00 51.55 C ATOM 1526 C SER A 95 -10.346 -57.015 -40.262 1.00 75.21 C ATOM 1527 O SER A 95 -10.497 -57.918 -41.085 1.00 75.23 O ATOM 1528 CB SER A 95 -9.419 -54.784 -40.912 1.00 35.22 C ATOM 1529 OG SER A 95 -9.629 -53.392 -40.751 1.00 51.14 O ATOM 0 H SER A 95 -10.850 -54.506 -38.811 1.00 42.11 H new ATOM 0 HA SER A 95 -11.331 -55.574 -41.496 1.00 51.55 H new ATOM 0 HB2 SER A 95 -8.619 -55.113 -40.249 1.00 35.22 H new ATOM 0 HB3 SER A 95 -9.093 -54.990 -41.931 1.00 35.22 H new ATOM 0 HG SER A 95 -9.548 -53.156 -39.803 1.00 51.14 H new ATOM 1535 N TYR A 96 -9.878 -57.225 -39.037 1.00 14.52 N ATOM 1536 CA TYR A 96 -9.504 -58.557 -38.579 1.00 35.32 C ATOM 1537 C TYR A 96 -10.727 -59.465 -38.487 1.00 14.22 C ATOM 1538 O TYR A 96 -10.756 -60.549 -39.070 1.00 11.22 O ATOM 1539 CB TYR A 96 -8.812 -58.476 -37.217 1.00 73.02 C ATOM 1540 CG TYR A 96 -8.814 -59.784 -36.458 1.00 42.31 C ATOM 1541 CD1 TYR A 96 -8.567 -60.987 -37.107 1.00 43.12 C ATOM 1542 CD2 TYR A 96 -9.061 -59.816 -35.091 1.00 54.42 C ATOM 1543 CE1 TYR A 96 -8.568 -62.184 -36.418 1.00 1.13 C ATOM 1544 CE2 TYR A 96 -9.063 -61.008 -34.393 1.00 51.22 C ATOM 1545 CZ TYR A 96 -8.816 -62.189 -35.061 1.00 34.20 C ATOM 1546 OH TYR A 96 -8.817 -63.379 -34.370 1.00 60.42 O ATOM 0 H TYR A 96 -9.749 -56.489 -38.343 1.00 14.52 H new ATOM 0 HA TYR A 96 -8.812 -58.982 -39.306 1.00 35.32 H new ATOM 0 HB2 TYR A 96 -7.782 -58.151 -37.361 1.00 73.02 H new ATOM 0 HB3 TYR A 96 -9.305 -57.714 -36.613 1.00 73.02 H new ATOM 0 HD1 TYR A 96 -8.371 -60.986 -38.169 1.00 43.12 H new ATOM 0 HD2 TYR A 96 -9.255 -58.893 -34.565 1.00 54.42 H new ATOM 0 HE1 TYR A 96 -8.376 -63.111 -36.939 1.00 1.13 H new ATOM 0 HE2 TYR A 96 -9.257 -61.015 -33.331 1.00 51.22 H new ATOM 0 HH TYR A 96 -9.007 -63.208 -33.424 1.00 60.42 H new