USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 497 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 23 GLN : amide:sc= -0.863 K(o=-0.86,f=-1.4!) USER MOD Single : A 30 LYS NZ :NH3+ 154:sc= -0.154 (180deg=-0.591) USER MOD Single : A 31 THR OG1 : rot 84:sc= 0.381 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -85:sc= 0.113 USER MOD Single : A 73 ASN : amide:sc= -1.28 K(o=-1.3,f=-2.9!) USER MOD Single : A 75 THR OG1 : rot 70:sc= -1.79 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) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -165:sc= -0.166 (180deg=-0.694) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 80:sc= 1.23 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 215 N ILE A 14 -1.292 -5.754 22.041 1.00 22.33 N ATOM 216 CA ILE A 14 -1.792 -5.309 23.336 1.00 51.42 C ATOM 217 C ILE A 14 -3.276 -4.965 23.263 1.00 40.21 C ATOM 218 O ILE A 14 -4.074 -5.439 24.072 1.00 23.22 O ATOM 219 CB ILE A 14 -1.017 -4.080 23.846 1.00 5.05 C ATOM 220 CG1 ILE A 14 0.279 -4.517 24.533 1.00 44.33 C ATOM 221 CG2 ILE A 14 -1.880 -3.268 24.800 1.00 4.43 C ATOM 222 CD1 ILE A 14 1.522 -4.220 23.722 1.00 31.24 C ATOM 0 HA ILE A 14 -1.646 -6.135 24.032 1.00 51.42 H new ATOM 0 HB ILE A 14 -0.761 -3.451 22.994 1.00 5.05 H new ATOM 0 HG12 ILE A 14 0.356 -4.016 25.498 1.00 44.33 H new ATOM 0 HG13 ILE A 14 0.232 -5.588 24.732 1.00 44.33 H new ATOM 0 HG21 ILE A 14 -1.318 -2.403 25.152 1.00 4.43 H new ATOM 0 HG22 ILE A 14 -2.778 -2.931 24.282 1.00 4.43 H new ATOM 0 HG23 ILE A 14 -2.163 -3.887 25.651 1.00 4.43 H new ATOM 0 HD11 ILE A 14 2.403 -4.556 24.269 1.00 31.24 H new ATOM 0 HD12 ILE A 14 1.467 -4.743 22.767 1.00 31.24 H new ATOM 0 HD13 ILE A 14 1.593 -3.147 23.545 1.00 31.24 H new ATOM 234 N ILE A 15 -3.639 -4.139 22.287 1.00 11.04 N ATOM 235 CA ILE A 15 -5.028 -3.734 22.107 1.00 23.31 C ATOM 236 C ILE A 15 -5.960 -4.940 22.139 1.00 33.31 C ATOM 237 O ILE A 15 -6.977 -4.934 22.831 1.00 13.33 O ATOM 238 CB ILE A 15 -5.227 -2.981 20.779 1.00 45.23 C ATOM 239 CG1 ILE A 15 -4.355 -1.724 20.745 1.00 41.32 C ATOM 240 CG2 ILE A 15 -6.692 -2.621 20.588 1.00 14.11 C ATOM 241 CD1 ILE A 15 -4.602 -0.786 21.905 1.00 11.43 C ATOM 0 H ILE A 15 -2.991 -3.737 21.609 1.00 11.04 H new ATOM 0 HA ILE A 15 -5.272 -3.067 22.934 1.00 23.31 H new ATOM 0 HB ILE A 15 -4.924 -3.633 19.960 1.00 45.23 H new ATOM 0 HG12 ILE A 15 -3.306 -2.019 20.744 1.00 41.32 H new ATOM 0 HG13 ILE A 15 -4.537 -1.191 19.812 1.00 41.32 H new ATOM 0 HG21 ILE A 15 -6.816 -2.089 19.645 1.00 14.11 H new ATOM 0 HG22 ILE A 15 -7.291 -3.531 20.573 1.00 14.11 H new ATOM 0 HG23 ILE A 15 -7.020 -1.984 21.409 1.00 14.11 H new ATOM 0 HD11 ILE A 15 -3.950 0.083 21.816 1.00 11.43 H new ATOM 0 HD12 ILE A 15 -5.642 -0.461 21.895 1.00 11.43 H new ATOM 0 HD13 ILE A 15 -4.392 -1.303 22.842 1.00 11.43 H new ATOM 253 N GLY A 16 -5.605 -5.977 21.385 1.00 12.43 N ATOM 254 CA GLY A 16 -6.420 -7.177 21.343 1.00 41.32 C ATOM 255 C GLY A 16 -6.501 -7.870 22.688 1.00 31.32 C ATOM 256 O GLY A 16 -7.506 -8.507 23.008 1.00 53.54 O ATOM 0 H GLY A 16 -4.768 -6.007 20.803 1.00 12.43 H new ATOM 0 HA2 GLY A 16 -7.425 -6.918 21.010 1.00 41.32 H new ATOM 0 HA3 GLY A 16 -6.008 -7.867 20.607 1.00 41.32 H new ATOM 260 N LEU A 17 -5.440 -7.750 23.479 1.00 54.11 N ATOM 261 CA LEU A 17 -5.395 -8.372 24.798 1.00 64.04 C ATOM 262 C LEU A 17 -6.226 -7.581 25.802 1.00 15.01 C ATOM 263 O LEU A 17 -7.002 -8.152 26.569 1.00 62.52 O ATOM 264 CB LEU A 17 -3.948 -8.475 25.285 1.00 52.13 C ATOM 265 CG LEU A 17 -3.213 -9.770 24.936 1.00 12.35 C ATOM 266 CD1 LEU A 17 -3.396 -10.108 23.465 1.00 30.12 C ATOM 267 CD2 LEU A 17 -1.735 -9.653 25.279 1.00 11.50 C ATOM 0 H LEU A 17 -4.600 -7.228 23.230 1.00 54.11 H new ATOM 0 HA LEU A 17 -5.817 -9.374 24.715 1.00 64.04 H new ATOM 0 HB2 LEU A 17 -3.386 -7.638 24.870 1.00 52.13 H new ATOM 0 HB3 LEU A 17 -3.941 -8.358 26.369 1.00 52.13 H new ATOM 0 HG LEU A 17 -3.640 -10.579 25.529 1.00 12.35 H new ATOM 0 HD11 LEU A 17 -2.866 -11.032 23.235 1.00 30.12 H new ATOM 0 HD12 LEU A 17 -4.457 -10.235 23.250 1.00 30.12 H new ATOM 0 HD13 LEU A 17 -2.996 -9.299 22.853 1.00 30.12 H new ATOM 0 HD21 LEU A 17 -1.228 -10.583 25.024 1.00 11.50 H new ATOM 0 HD22 LEU A 17 -1.294 -8.832 24.713 1.00 11.50 H new ATOM 0 HD23 LEU A 17 -1.623 -9.459 26.346 1.00 11.50 H new ATOM 279 N VAL A 18 -6.061 -6.262 25.791 1.00 75.01 N ATOM 280 CA VAL A 18 -6.799 -5.392 26.698 1.00 14.44 C ATOM 281 C VAL A 18 -8.256 -5.258 26.269 1.00 71.30 C ATOM 282 O VAL A 18 -9.116 -4.872 27.062 1.00 64.45 O ATOM 283 CB VAL A 18 -6.166 -3.989 26.770 1.00 74.21 C ATOM 284 CG1 VAL A 18 -4.780 -4.060 27.391 1.00 63.21 C ATOM 285 CG2 VAL A 18 -6.108 -3.360 25.386 1.00 72.30 C ATOM 0 H VAL A 18 -5.423 -5.773 25.164 1.00 75.01 H new ATOM 0 HA VAL A 18 -6.755 -5.854 27.684 1.00 14.44 H new ATOM 0 HB VAL A 18 -6.790 -3.359 27.404 1.00 74.21 H new ATOM 0 HG11 VAL A 18 -4.349 -3.060 27.434 1.00 63.21 H new ATOM 0 HG12 VAL A 18 -4.854 -4.467 28.400 1.00 63.21 H new ATOM 0 HG13 VAL A 18 -4.143 -4.705 26.786 1.00 63.21 H new ATOM 0 HG21 VAL A 18 -5.658 -2.370 25.455 1.00 72.30 H new ATOM 0 HG22 VAL A 18 -5.507 -3.986 24.727 1.00 72.30 H new ATOM 0 HG23 VAL A 18 -7.117 -3.273 24.983 1.00 72.30 H new ATOM 295 N VAL A 19 -8.528 -5.581 25.008 1.00 4.33 N ATOM 296 CA VAL A 19 -9.881 -5.499 24.473 1.00 52.23 C ATOM 297 C VAL A 19 -10.567 -6.860 24.501 1.00 63.31 C ATOM 298 O VAL A 19 -11.538 -7.064 25.230 1.00 12.44 O ATOM 299 CB VAL A 19 -9.882 -4.966 23.028 1.00 42.24 C ATOM 300 CG1 VAL A 19 -11.257 -5.131 22.398 1.00 4.51 C ATOM 301 CG2 VAL A 19 -9.443 -3.509 22.997 1.00 34.52 C ATOM 0 H VAL A 19 -7.829 -5.902 24.338 1.00 4.33 H new ATOM 0 HA VAL A 19 -10.431 -4.805 25.109 1.00 52.23 H new ATOM 0 HB VAL A 19 -9.170 -5.549 22.444 1.00 42.24 H new ATOM 0 HG11 VAL A 19 -11.238 -4.749 21.377 1.00 4.51 H new ATOM 0 HG12 VAL A 19 -11.527 -6.187 22.385 1.00 4.51 H new ATOM 0 HG13 VAL A 19 -11.993 -4.576 22.980 1.00 4.51 H new ATOM 0 HG21 VAL A 19 -9.450 -3.149 21.968 1.00 34.52 H new ATOM 0 HG22 VAL A 19 -10.129 -2.910 23.596 1.00 34.52 H new ATOM 0 HG23 VAL A 19 -8.436 -3.424 23.405 1.00 34.52 H new ATOM 311 N LEU A 20 -10.055 -7.791 23.703 1.00 41.43 N ATOM 312 CA LEU A 20 -10.617 -9.135 23.636 1.00 72.11 C ATOM 313 C LEU A 20 -10.461 -9.858 24.970 1.00 10.42 C ATOM 314 O LEU A 20 -11.173 -10.820 25.254 1.00 53.31 O ATOM 315 CB LEU A 20 -9.938 -9.939 22.525 1.00 12.54 C ATOM 316 CG LEU A 20 -10.676 -11.194 22.058 1.00 25.14 C ATOM 317 CD1 LEU A 20 -12.168 -10.926 21.948 1.00 74.24 C ATOM 318 CD2 LEU A 20 -10.118 -11.676 20.727 1.00 50.21 C ATOM 0 H LEU A 20 -9.251 -7.639 23.093 1.00 41.43 H new ATOM 0 HA LEU A 20 -11.680 -9.046 23.414 1.00 72.11 H new ATOM 0 HB2 LEU A 20 -9.796 -9.284 21.665 1.00 12.54 H new ATOM 0 HB3 LEU A 20 -8.946 -10.232 22.870 1.00 12.54 H new ATOM 0 HG LEU A 20 -10.523 -11.979 22.799 1.00 25.14 H new ATOM 0 HD11 LEU A 20 -12.677 -11.831 21.614 1.00 74.24 H new ATOM 0 HD12 LEU A 20 -12.557 -10.629 22.922 1.00 74.24 H new ATOM 0 HD13 LEU A 20 -12.342 -10.126 21.229 1.00 74.24 H new ATOM 0 HD21 LEU A 20 -10.655 -12.570 20.410 1.00 50.21 H new ATOM 0 HD22 LEU A 20 -10.240 -10.894 19.977 1.00 50.21 H new ATOM 0 HD23 LEU A 20 -9.059 -11.909 20.839 1.00 50.21 H new ATOM 330 N GLY A 21 -9.525 -9.385 25.787 1.00 4.14 N ATOM 331 CA GLY A 21 -9.293 -9.996 27.083 1.00 34.41 C ATOM 332 C GLY A 21 -8.354 -11.184 27.005 1.00 52.45 C ATOM 333 O GLY A 21 -8.506 -12.068 26.162 1.00 74.13 O ATOM 0 H GLY A 21 -8.923 -8.589 25.575 1.00 4.14 H new ATOM 0 HA2 GLY A 21 -8.877 -9.252 27.763 1.00 34.41 H new ATOM 0 HA3 GLY A 21 -10.245 -10.317 27.506 1.00 34.41 H new ATOM 337 N PRO A 22 -7.355 -11.213 27.899 1.00 42.43 N ATOM 338 CA PRO A 22 -6.367 -12.294 27.947 1.00 63.43 C ATOM 339 C PRO A 22 -6.969 -13.609 28.431 1.00 52.20 C ATOM 340 O PRO A 22 -6.255 -14.589 28.640 1.00 50.03 O ATOM 341 CB PRO A 22 -5.328 -11.782 28.947 1.00 2.31 C ATOM 342 CG PRO A 22 -6.075 -10.829 29.815 1.00 52.24 C ATOM 343 CD PRO A 22 -7.113 -10.192 28.932 1.00 1.11 C ATOM 0 HA PRO A 22 -5.957 -12.515 26.961 1.00 63.43 H new ATOM 0 HB2 PRO A 22 -4.903 -12.599 29.530 1.00 2.31 H new ATOM 0 HB3 PRO A 22 -4.499 -11.289 28.439 1.00 2.31 H new ATOM 0 HG2 PRO A 22 -6.540 -11.347 30.653 1.00 52.24 H new ATOM 0 HG3 PRO A 22 -5.406 -10.078 30.236 1.00 52.24 H new ATOM 0 HD2 PRO A 22 -8.022 -9.957 29.486 1.00 1.11 H new ATOM 0 HD3 PRO A 22 -6.754 -9.259 28.498 1.00 1.11 H new ATOM 351 N GLN A 23 -8.287 -13.621 28.607 1.00 65.31 N ATOM 352 CA GLN A 23 -8.984 -14.816 29.067 1.00 21.30 C ATOM 353 C GLN A 23 -8.854 -15.947 28.052 1.00 21.20 C ATOM 354 O GLN A 23 -8.655 -17.105 28.420 1.00 32.03 O ATOM 355 CB GLN A 23 -10.461 -14.506 29.316 1.00 21.34 C ATOM 356 CG GLN A 23 -11.160 -13.877 28.123 1.00 54.44 C ATOM 357 CD GLN A 23 -12.051 -12.714 28.515 1.00 73.35 C ATOM 358 OE1 GLN A 23 -12.051 -11.669 27.863 1.00 24.40 O ATOM 359 NE2 GLN A 23 -12.818 -12.890 29.584 1.00 32.42 N ATOM 0 H GLN A 23 -8.892 -12.818 28.438 1.00 65.31 H new ATOM 0 HA GLN A 23 -8.524 -15.137 30.002 1.00 21.30 H new ATOM 0 HB2 GLN A 23 -10.977 -15.428 29.584 1.00 21.34 H new ATOM 0 HB3 GLN A 23 -10.544 -13.834 30.171 1.00 21.34 H new ATOM 0 HG2 GLN A 23 -10.412 -13.532 27.409 1.00 54.44 H new ATOM 0 HG3 GLN A 23 -11.759 -14.634 27.617 1.00 54.44 H new ATOM 0 HE21 GLN A 23 -12.786 -13.772 30.095 1.00 32.42 H new ATOM 0 HE22 GLN A 23 -13.439 -12.143 29.895 1.00 32.42 H new ATOM 368 N ARG A 24 -8.968 -15.604 26.773 1.00 4.12 N ATOM 369 CA ARG A 24 -8.864 -16.591 25.705 1.00 13.21 C ATOM 370 C ARG A 24 -8.012 -16.061 24.556 1.00 42.12 C ATOM 371 O ARG A 24 -8.324 -16.279 23.385 1.00 75.44 O ATOM 372 CB ARG A 24 -10.256 -16.965 25.192 1.00 63.45 C ATOM 373 CG ARG A 24 -11.177 -15.771 25.004 1.00 74.53 C ATOM 374 CD ARG A 24 -10.825 -14.987 23.750 1.00 64.25 C ATOM 375 NE ARG A 24 -9.884 -13.905 24.027 1.00 25.41 N ATOM 376 CZ ARG A 24 -8.955 -13.501 23.168 1.00 41.42 C ATOM 377 NH1 ARG A 24 -8.844 -14.085 21.983 1.00 40.43 N ATOM 378 NH2 ARG A 24 -8.135 -12.509 23.493 1.00 32.22 N ATOM 0 H ARG A 24 -9.132 -14.650 26.451 1.00 4.12 H new ATOM 0 HA ARG A 24 -8.382 -17.480 26.111 1.00 13.21 H new ATOM 0 HB2 ARG A 24 -10.155 -17.488 24.241 1.00 63.45 H new ATOM 0 HB3 ARG A 24 -10.717 -17.662 25.892 1.00 63.45 H new ATOM 0 HG2 ARG A 24 -12.210 -16.113 24.942 1.00 74.53 H new ATOM 0 HG3 ARG A 24 -11.109 -15.118 25.874 1.00 74.53 H new ATOM 0 HD2 ARG A 24 -10.394 -15.661 23.010 1.00 64.25 H new ATOM 0 HD3 ARG A 24 -11.734 -14.574 23.314 1.00 64.25 H new ATOM 0 HE ARG A 24 -9.943 -13.434 24.930 1.00 25.41 H new ATOM 0 HH11 ARG A 24 -9.473 -14.847 21.729 1.00 40.43 H new ATOM 0 HH12 ARG A 24 -8.130 -13.773 21.325 1.00 40.43 H new ATOM 0 HH21 ARG A 24 -8.218 -12.056 24.403 1.00 32.22 H new ATOM 0 HH22 ARG A 24 -7.422 -12.200 22.833 1.00 32.22 H new ATOM 392 N LEU A 25 -6.934 -15.363 24.898 1.00 35.22 N ATOM 393 CA LEU A 25 -6.036 -14.801 23.895 1.00 34.13 C ATOM 394 C LEU A 25 -5.324 -15.906 23.122 1.00 24.02 C ATOM 395 O LEU A 25 -5.343 -15.949 21.892 1.00 52.41 O ATOM 396 CB LEU A 25 -5.009 -13.883 24.560 1.00 62.24 C ATOM 397 CG LEU A 25 -3.880 -13.378 23.661 1.00 64.23 C ATOM 398 CD1 LEU A 25 -2.744 -14.389 23.611 1.00 13.20 C ATOM 399 CD2 LEU A 25 -4.401 -13.090 22.260 1.00 11.14 C ATOM 0 H LEU A 25 -6.661 -15.173 25.862 1.00 35.22 H new ATOM 0 HA LEU A 25 -6.633 -14.219 23.193 1.00 34.13 H new ATOM 0 HB2 LEU A 25 -5.534 -13.020 24.970 1.00 62.24 H new ATOM 0 HB3 LEU A 25 -4.566 -14.416 25.401 1.00 62.24 H new ATOM 0 HG LEU A 25 -3.495 -12.449 24.082 1.00 64.23 H new ATOM 0 HD11 LEU A 25 -1.950 -14.012 22.966 1.00 13.20 H new ATOM 0 HD12 LEU A 25 -2.352 -14.546 24.616 1.00 13.20 H new ATOM 0 HD13 LEU A 25 -3.115 -15.334 23.215 1.00 13.20 H new ATOM 0 HD21 LEU A 25 -3.584 -12.732 21.634 1.00 11.14 H new ATOM 0 HD22 LEU A 25 -4.813 -14.003 21.830 1.00 11.14 H new ATOM 0 HD23 LEU A 25 -5.180 -12.329 22.311 1.00 11.14 H new ATOM 411 N PRO A 26 -4.680 -16.824 23.859 1.00 12.31 N ATOM 412 CA PRO A 26 -3.951 -17.948 23.264 1.00 53.32 C ATOM 413 C PRO A 26 -4.885 -18.971 22.626 1.00 24.32 C ATOM 414 O PRO A 26 -4.437 -19.906 21.962 1.00 25.35 O ATOM 415 CB PRO A 26 -3.215 -18.565 24.456 1.00 55.51 C ATOM 416 CG PRO A 26 -4.032 -18.186 25.643 1.00 54.44 C ATOM 417 CD PRO A 26 -4.615 -16.835 25.330 1.00 31.11 C ATOM 0 HA PRO A 26 -3.290 -17.625 22.459 1.00 53.32 H new ATOM 0 HB2 PRO A 26 -3.139 -19.648 24.357 1.00 55.51 H new ATOM 0 HB3 PRO A 26 -2.198 -18.180 24.536 1.00 55.51 H new ATOM 0 HG2 PRO A 26 -4.819 -18.918 25.825 1.00 54.44 H new ATOM 0 HG3 PRO A 26 -3.418 -18.147 26.543 1.00 54.44 H new ATOM 0 HD2 PRO A 26 -5.601 -16.710 25.777 1.00 31.11 H new ATOM 0 HD3 PRO A 26 -3.988 -16.029 25.711 1.00 31.11 H new ATOM 425 N VAL A 27 -6.185 -18.788 22.832 1.00 72.24 N ATOM 426 CA VAL A 27 -7.182 -19.695 22.275 1.00 31.23 C ATOM 427 C VAL A 27 -7.243 -19.580 20.756 1.00 24.43 C ATOM 428 O VAL A 27 -7.210 -20.585 20.046 1.00 52.30 O ATOM 429 CB VAL A 27 -8.581 -19.416 22.856 1.00 21.34 C ATOM 430 CG1 VAL A 27 -9.625 -20.290 22.178 1.00 51.21 C ATOM 431 CG2 VAL A 27 -8.586 -19.637 24.362 1.00 62.05 C ATOM 0 H VAL A 27 -6.573 -18.020 23.380 1.00 72.24 H new ATOM 0 HA VAL A 27 -6.878 -20.705 22.548 1.00 31.23 H new ATOM 0 HB VAL A 27 -8.834 -18.373 22.663 1.00 21.34 H new ATOM 0 HG11 VAL A 27 -10.607 -20.079 22.602 1.00 51.21 H new ATOM 0 HG12 VAL A 27 -9.638 -20.078 21.109 1.00 51.21 H new ATOM 0 HG13 VAL A 27 -9.379 -21.340 22.337 1.00 51.21 H new ATOM 0 HG21 VAL A 27 -9.582 -19.435 24.756 1.00 62.05 H new ATOM 0 HG22 VAL A 27 -8.312 -20.669 24.579 1.00 62.05 H new ATOM 0 HG23 VAL A 27 -7.868 -18.965 24.831 1.00 62.05 H new ATOM 441 N ALA A 28 -7.330 -18.349 20.265 1.00 54.25 N ATOM 442 CA ALA A 28 -7.393 -18.102 18.829 1.00 21.03 C ATOM 443 C ALA A 28 -6.129 -18.594 18.132 1.00 2.52 C ATOM 444 O ALA A 28 -6.197 -19.278 17.111 1.00 0.21 O ATOM 445 CB ALA A 28 -7.606 -16.620 18.557 1.00 23.24 C ATOM 0 H ALA A 28 -7.359 -17.507 20.840 1.00 54.25 H new ATOM 0 HA ALA A 28 -8.239 -18.659 18.426 1.00 21.03 H new ATOM 0 HB1 ALA A 28 -7.651 -16.450 17.481 1.00 23.24 H new ATOM 0 HB2 ALA A 28 -8.541 -16.297 19.015 1.00 23.24 H new ATOM 0 HB3 ALA A 28 -6.779 -16.050 18.980 1.00 23.24 H new ATOM 451 N VAL A 29 -4.975 -18.240 18.690 1.00 52.41 N ATOM 452 CA VAL A 29 -3.695 -18.645 18.122 1.00 72.23 C ATOM 453 C VAL A 29 -3.576 -20.164 18.064 1.00 0.03 C ATOM 454 O VAL A 29 -3.332 -20.739 17.004 1.00 72.45 O ATOM 455 CB VAL A 29 -2.516 -18.079 18.935 1.00 43.05 C ATOM 456 CG1 VAL A 29 -1.200 -18.338 18.217 1.00 24.13 C ATOM 457 CG2 VAL A 29 -2.710 -16.592 19.189 1.00 1.21 C ATOM 0 H VAL A 29 -4.901 -17.673 19.535 1.00 52.41 H new ATOM 0 HA VAL A 29 -3.655 -18.241 17.110 1.00 72.23 H new ATOM 0 HB VAL A 29 -2.483 -18.588 19.898 1.00 43.05 H new ATOM 0 HG11 VAL A 29 -0.378 -17.931 18.806 1.00 24.13 H new ATOM 0 HG12 VAL A 29 -1.060 -19.412 18.091 1.00 24.13 H new ATOM 0 HG13 VAL A 29 -1.218 -17.857 17.239 1.00 24.13 H new ATOM 0 HG21 VAL A 29 -1.868 -16.208 19.765 1.00 1.21 H new ATOM 0 HG22 VAL A 29 -2.769 -16.065 18.237 1.00 1.21 H new ATOM 0 HG23 VAL A 29 -3.633 -16.436 19.748 1.00 1.21 H new ATOM 467 N LYS A 30 -3.750 -20.809 19.213 1.00 61.33 N ATOM 468 CA LYS A 30 -3.664 -22.263 19.295 1.00 50.42 C ATOM 469 C LYS A 30 -4.587 -22.921 18.274 1.00 44.31 C ATOM 470 O LYS A 30 -4.187 -23.845 17.565 1.00 32.43 O ATOM 471 CB LYS A 30 -4.025 -22.736 20.704 1.00 31.55 C ATOM 472 CG LYS A 30 -2.980 -22.388 21.750 1.00 65.13 C ATOM 473 CD LYS A 30 -2.148 -23.601 22.132 1.00 3.21 C ATOM 474 CE LYS A 30 -0.941 -23.759 21.220 1.00 61.11 C ATOM 475 NZ LYS A 30 0.009 -22.620 21.354 1.00 54.34 N ATOM 0 H LYS A 30 -3.951 -20.348 20.100 1.00 61.33 H new ATOM 0 HA LYS A 30 -2.638 -22.555 19.072 1.00 50.42 H new ATOM 0 HB2 LYS A 30 -4.978 -22.293 20.994 1.00 31.55 H new ATOM 0 HB3 LYS A 30 -4.167 -23.817 20.690 1.00 31.55 H new ATOM 0 HG2 LYS A 30 -2.327 -21.604 21.367 1.00 65.13 H new ATOM 0 HG3 LYS A 30 -3.471 -21.988 22.637 1.00 65.13 H new ATOM 0 HD2 LYS A 30 -1.814 -23.504 23.165 1.00 3.21 H new ATOM 0 HD3 LYS A 30 -2.765 -24.498 22.079 1.00 3.21 H new ATOM 0 HE2 LYS A 30 -0.427 -24.690 21.457 1.00 61.11 H new ATOM 0 HE3 LYS A 30 -1.275 -23.833 20.185 1.00 61.11 H new ATOM 0 HZ1 LYS A 30 0.966 -22.934 21.096 1.00 54.34 H new ATOM 0 HZ2 LYS A 30 -0.284 -21.847 20.722 1.00 54.34 H new ATOM 0 HZ3 LYS A 30 0.009 -22.282 22.338 1.00 54.34 H new ATOM 489 N THR A 31 -5.823 -22.438 18.202 1.00 12.43 N ATOM 490 CA THR A 31 -6.802 -22.979 17.268 1.00 51.40 C ATOM 491 C THR A 31 -6.302 -22.884 15.831 1.00 2.31 C ATOM 492 O THR A 31 -6.094 -23.899 15.167 1.00 32.30 O ATOM 493 CB THR A 31 -8.151 -22.243 17.379 1.00 31.44 C ATOM 494 OG1 THR A 31 -8.809 -22.608 18.598 1.00 62.51 O ATOM 495 CG2 THR A 31 -9.047 -22.574 16.195 1.00 1.31 C ATOM 0 H THR A 31 -6.170 -21.672 18.780 1.00 12.43 H new ATOM 0 HA THR A 31 -6.945 -24.027 17.532 1.00 51.40 H new ATOM 0 HB THR A 31 -7.956 -21.171 17.378 1.00 31.44 H new ATOM 0 HG1 THR A 31 -8.473 -22.051 19.331 1.00 62.51 H new ATOM 0 HG21 THR A 31 -9.994 -22.043 16.295 1.00 1.31 H new ATOM 0 HG22 THR A 31 -8.556 -22.269 15.271 1.00 1.31 H new ATOM 0 HG23 THR A 31 -9.234 -23.647 16.169 1.00 1.31 H new ATOM 503 N VAL A 32 -6.109 -21.657 15.356 1.00 31.22 N ATOM 504 CA VAL A 32 -5.631 -21.430 13.998 1.00 41.22 C ATOM 505 C VAL A 32 -4.446 -22.332 13.674 1.00 23.40 C ATOM 506 O VAL A 32 -4.529 -23.194 12.799 1.00 13.12 O ATOM 507 CB VAL A 32 -5.216 -19.961 13.787 1.00 34.41 C ATOM 508 CG1 VAL A 32 -4.848 -19.714 12.332 1.00 4.13 C ATOM 509 CG2 VAL A 32 -6.330 -19.025 14.230 1.00 14.01 C ATOM 0 H VAL A 32 -6.277 -20.806 15.892 1.00 31.22 H new ATOM 0 HA VAL A 32 -6.458 -21.667 13.328 1.00 41.22 H new ATOM 0 HB VAL A 32 -4.337 -19.758 14.398 1.00 34.41 H new ATOM 0 HG11 VAL A 32 -4.558 -18.671 12.202 1.00 4.13 H new ATOM 0 HG12 VAL A 32 -4.016 -20.360 12.052 1.00 4.13 H new ATOM 0 HG13 VAL A 32 -5.707 -19.933 11.697 1.00 4.13 H new ATOM 0 HG21 VAL A 32 -6.020 -17.992 14.074 1.00 14.01 H new ATOM 0 HG22 VAL A 32 -7.228 -19.227 13.646 1.00 14.01 H new ATOM 0 HG23 VAL A 32 -6.541 -19.185 15.287 1.00 14.01 H new ATOM 519 N ALA A 33 -3.342 -22.129 14.386 1.00 32.01 N ATOM 520 CA ALA A 33 -2.140 -22.926 14.177 1.00 71.24 C ATOM 521 C ALA A 33 -2.426 -24.412 14.368 1.00 52.21 C ATOM 522 O ALA A 33 -1.688 -25.264 13.877 1.00 24.51 O ATOM 523 CB ALA A 33 -1.036 -22.474 15.120 1.00 5.31 C ATOM 0 H ALA A 33 -3.256 -21.419 15.113 1.00 32.01 H new ATOM 0 HA ALA A 33 -1.809 -22.776 13.149 1.00 71.24 H new ATOM 0 HB1 ALA A 33 -0.144 -23.078 14.953 1.00 5.31 H new ATOM 0 HB2 ALA A 33 -0.804 -21.426 14.933 1.00 5.31 H new ATOM 0 HB3 ALA A 33 -1.367 -22.594 16.152 1.00 5.31 H new ATOM 529 N GLY A 34 -3.504 -24.715 15.086 1.00 43.22 N ATOM 530 CA GLY A 34 -3.867 -26.098 15.330 1.00 75.31 C ATOM 531 C GLY A 34 -4.186 -26.848 14.052 1.00 60.23 C ATOM 532 O GLY A 34 -3.442 -27.741 13.646 1.00 22.13 O ATOM 0 H GLY A 34 -4.132 -24.027 15.502 1.00 43.22 H new ATOM 0 HA2 GLY A 34 -3.049 -26.599 15.847 1.00 75.31 H new ATOM 0 HA3 GLY A 34 -4.732 -26.132 15.993 1.00 75.31 H new ATOM 536 N TRP A 35 -5.295 -26.487 13.417 1.00 42.45 N ATOM 537 CA TRP A 35 -5.711 -27.133 12.177 1.00 20.52 C ATOM 538 C TRP A 35 -4.824 -26.704 11.014 1.00 3.42 C ATOM 539 O TRP A 35 -4.763 -27.378 9.986 1.00 54.03 O ATOM 540 CB TRP A 35 -7.172 -26.801 11.870 1.00 31.11 C ATOM 541 CG TRP A 35 -7.478 -25.336 11.953 1.00 71.33 C ATOM 542 CD1 TRP A 35 -7.848 -24.638 13.067 1.00 43.35 C ATOM 543 CD2 TRP A 35 -7.443 -24.391 10.878 1.00 65.54 C ATOM 544 NE1 TRP A 35 -8.044 -23.315 12.748 1.00 31.55 N ATOM 545 CE2 TRP A 35 -7.801 -23.138 11.412 1.00 31.41 C ATOM 546 CE3 TRP A 35 -7.141 -24.481 9.516 1.00 22.41 C ATOM 547 CZ2 TRP A 35 -7.867 -21.988 10.631 1.00 5.42 C ATOM 548 CZ3 TRP A 35 -7.206 -23.338 8.742 1.00 35.34 C ATOM 549 CH2 TRP A 35 -7.566 -22.105 9.301 1.00 11.33 C ATOM 0 H TRP A 35 -5.922 -25.751 13.740 1.00 42.45 H new ATOM 0 HA TRP A 35 -5.610 -28.210 12.307 1.00 20.52 H new ATOM 0 HB2 TRP A 35 -7.416 -27.160 10.870 1.00 31.11 H new ATOM 0 HB3 TRP A 35 -7.814 -27.339 12.568 1.00 31.11 H new ATOM 0 HD1 TRP A 35 -7.969 -25.062 14.053 1.00 43.35 H new ATOM 0 HE1 TRP A 35 -8.325 -22.584 13.401 1.00 31.55 H new ATOM 0 HE3 TRP A 35 -6.862 -25.427 9.076 1.00 22.41 H new ATOM 0 HZ2 TRP A 35 -8.146 -21.037 11.059 1.00 5.42 H new ATOM 0 HZ3 TRP A 35 -6.975 -23.396 7.689 1.00 35.34 H new ATOM 0 HH2 TRP A 35 -7.607 -21.229 8.670 1.00 11.33 H new ATOM 560 N ILE A 36 -4.137 -25.579 11.184 1.00 50.22 N ATOM 561 CA ILE A 36 -3.252 -25.061 10.148 1.00 71.02 C ATOM 562 C ILE A 36 -2.039 -25.965 9.959 1.00 62.21 C ATOM 563 O ILE A 36 -1.731 -26.383 8.842 1.00 2.44 O ATOM 564 CB ILE A 36 -2.770 -23.636 10.479 1.00 20.44 C ATOM 565 CG1 ILE A 36 -3.795 -22.604 10.005 1.00 61.21 C ATOM 566 CG2 ILE A 36 -1.413 -23.375 9.843 1.00 11.11 C ATOM 567 CD1 ILE A 36 -3.284 -21.181 10.049 1.00 32.11 C ATOM 0 H ILE A 36 -4.176 -25.009 12.029 1.00 50.22 H new ATOM 0 HA ILE A 36 -3.830 -25.034 9.224 1.00 71.02 H new ATOM 0 HB ILE A 36 -2.666 -23.545 11.560 1.00 20.44 H new ATOM 0 HG12 ILE A 36 -4.094 -22.843 8.984 1.00 61.21 H new ATOM 0 HG13 ILE A 36 -4.688 -22.680 10.625 1.00 61.21 H new ATOM 0 HG21 ILE A 36 -1.086 -22.364 10.086 1.00 11.11 H new ATOM 0 HG22 ILE A 36 -0.688 -24.093 10.226 1.00 11.11 H new ATOM 0 HG23 ILE A 36 -1.492 -23.481 8.761 1.00 11.11 H new ATOM 0 HD11 ILE A 36 -4.063 -20.504 9.699 1.00 32.11 H new ATOM 0 HD12 ILE A 36 -3.012 -20.924 11.073 1.00 32.11 H new ATOM 0 HD13 ILE A 36 -2.408 -21.089 9.407 1.00 32.11 H new ATOM 579 N ARG A 37 -1.354 -26.265 11.058 1.00 75.21 N ATOM 580 CA ARG A 37 -0.175 -27.121 11.014 1.00 41.23 C ATOM 581 C ARG A 37 -0.566 -28.574 10.760 1.00 12.32 C ATOM 582 O ARG A 37 0.152 -29.312 10.087 1.00 50.25 O ATOM 583 CB ARG A 37 0.608 -27.014 12.323 1.00 5.44 C ATOM 584 CG ARG A 37 2.076 -27.385 12.187 1.00 20.34 C ATOM 585 CD ARG A 37 2.829 -26.379 11.331 1.00 15.11 C ATOM 586 NE ARG A 37 4.276 -26.519 11.467 1.00 51.33 N ATOM 587 CZ ARG A 37 4.970 -27.521 10.940 1.00 31.51 C ATOM 588 NH1 ARG A 37 4.352 -28.467 10.246 1.00 60.11 N ATOM 589 NH2 ARG A 37 6.285 -27.579 11.107 1.00 60.41 N ATOM 0 H ARG A 37 -1.596 -25.928 11.990 1.00 75.21 H new ATOM 0 HA ARG A 37 0.457 -26.784 10.192 1.00 41.23 H new ATOM 0 HB2 ARG A 37 0.533 -25.994 12.699 1.00 5.44 H new ATOM 0 HB3 ARG A 37 0.146 -27.662 13.067 1.00 5.44 H new ATOM 0 HG2 ARG A 37 2.532 -27.437 13.176 1.00 20.34 H new ATOM 0 HG3 ARG A 37 2.162 -28.377 11.744 1.00 20.34 H new ATOM 0 HD2 ARG A 37 2.549 -26.511 10.286 1.00 15.11 H new ATOM 0 HD3 ARG A 37 2.534 -25.369 11.615 1.00 15.11 H new ATOM 0 HE ARG A 37 4.781 -25.808 11.996 1.00 51.33 H new ATOM 0 HH11 ARG A 37 3.341 -28.426 10.116 1.00 60.11 H new ATOM 0 HH12 ARG A 37 4.887 -29.236 9.842 1.00 60.11 H new ATOM 0 HH21 ARG A 37 6.764 -26.853 11.641 1.00 60.41 H new ATOM 0 HH22 ARG A 37 6.817 -28.349 10.702 1.00 60.41 H new ATOM 603 N ALA A 38 -1.709 -28.977 11.305 1.00 13.11 N ATOM 604 CA ALA A 38 -2.197 -30.340 11.137 1.00 62.32 C ATOM 605 C ALA A 38 -2.475 -30.647 9.669 1.00 3.31 C ATOM 606 O ALA A 38 -1.995 -31.646 9.131 1.00 15.22 O ATOM 607 CB ALA A 38 -3.451 -30.559 11.970 1.00 23.13 C ATOM 0 H ALA A 38 -2.314 -28.379 11.867 1.00 13.11 H new ATOM 0 HA ALA A 38 -1.420 -31.022 11.483 1.00 62.32 H new ATOM 0 HB1 ALA A 38 -3.804 -31.581 11.834 1.00 23.13 H new ATOM 0 HB2 ALA A 38 -3.223 -30.391 13.022 1.00 23.13 H new ATOM 0 HB3 ALA A 38 -4.226 -29.862 11.651 1.00 23.13 H new ATOM 613 N LEU A 39 -3.252 -29.782 9.026 1.00 21.21 N ATOM 614 CA LEU A 39 -3.595 -29.961 7.619 1.00 4.24 C ATOM 615 C LEU A 39 -2.371 -29.761 6.731 1.00 1.52 C ATOM 616 O LEU A 39 -2.188 -30.469 5.741 1.00 4.11 O ATOM 617 CB LEU A 39 -4.698 -28.982 7.215 1.00 74.12 C ATOM 618 CG LEU A 39 -4.254 -27.545 6.942 1.00 10.42 C ATOM 619 CD1 LEU A 39 -3.821 -27.385 5.493 1.00 74.41 C ATOM 620 CD2 LEU A 39 -5.372 -26.568 7.277 1.00 30.23 C ATOM 0 H LEU A 39 -3.656 -28.950 9.456 1.00 21.21 H new ATOM 0 HA LEU A 39 -3.956 -30.981 7.485 1.00 4.24 H new ATOM 0 HB2 LEU A 39 -5.187 -29.366 6.320 1.00 74.12 H new ATOM 0 HB3 LEU A 39 -5.448 -28.965 8.005 1.00 74.12 H new ATOM 0 HG LEU A 39 -3.400 -27.322 7.581 1.00 10.42 H new ATOM 0 HD11 LEU A 39 -3.509 -26.355 5.318 1.00 74.41 H new ATOM 0 HD12 LEU A 39 -2.988 -28.057 5.286 1.00 74.41 H new ATOM 0 HD13 LEU A 39 -4.655 -27.628 4.835 1.00 74.41 H new ATOM 0 HD21 LEU A 39 -5.038 -25.550 7.076 1.00 30.23 H new ATOM 0 HD22 LEU A 39 -6.245 -26.791 6.664 1.00 30.23 H new ATOM 0 HD23 LEU A 39 -5.634 -26.663 8.331 1.00 30.23 H new ATOM 632 N ARG A 40 -1.535 -28.793 7.093 1.00 14.53 N ATOM 633 CA ARG A 40 -0.328 -28.500 6.330 1.00 53.22 C ATOM 634 C ARG A 40 0.607 -29.706 6.307 1.00 15.43 C ATOM 635 O ARG A 40 0.984 -30.191 5.241 1.00 21.21 O ATOM 636 CB ARG A 40 0.396 -27.290 6.924 1.00 31.50 C ATOM 637 CG ARG A 40 1.551 -26.793 6.071 1.00 40.52 C ATOM 638 CD ARG A 40 1.093 -25.743 5.070 1.00 75.40 C ATOM 639 NE ARG A 40 1.805 -25.851 3.799 1.00 14.24 N ATOM 640 CZ ARG A 40 1.715 -24.949 2.828 1.00 1.03 C ATOM 641 NH1 ARG A 40 0.948 -23.878 2.982 1.00 63.31 N ATOM 642 NH2 ARG A 40 2.394 -25.117 1.701 1.00 51.14 N ATOM 0 H ARG A 40 -1.672 -28.198 7.910 1.00 14.53 H new ATOM 0 HA ARG A 40 -0.622 -28.271 5.306 1.00 53.22 H new ATOM 0 HB2 ARG A 40 -0.320 -26.479 7.059 1.00 31.50 H new ATOM 0 HB3 ARG A 40 0.772 -27.552 7.913 1.00 31.50 H new ATOM 0 HG2 ARG A 40 2.324 -26.372 6.713 1.00 40.52 H new ATOM 0 HG3 ARG A 40 2.000 -27.632 5.540 1.00 40.52 H new ATOM 0 HD2 ARG A 40 0.022 -25.851 4.896 1.00 75.40 H new ATOM 0 HD3 ARG A 40 1.249 -24.749 5.490 1.00 75.40 H new ATOM 0 HE ARG A 40 2.404 -26.663 3.649 1.00 14.24 H new ATOM 0 HH11 ARG A 40 0.425 -23.745 3.848 1.00 63.31 H new ATOM 0 HH12 ARG A 40 0.881 -23.187 2.235 1.00 63.31 H new ATOM 0 HH21 ARG A 40 2.986 -25.939 1.580 1.00 51.14 H new ATOM 0 HH22 ARG A 40 2.325 -24.424 0.956 1.00 51.14 H new ATOM 656 N SER A 41 0.976 -30.183 7.491 1.00 24.23 N ATOM 657 CA SER A 41 1.871 -31.329 7.608 1.00 75.32 C ATOM 658 C SER A 41 1.262 -32.562 6.946 1.00 23.23 C ATOM 659 O SER A 41 1.956 -33.327 6.274 1.00 1.25 O ATOM 660 CB SER A 41 2.170 -31.622 9.079 1.00 3.53 C ATOM 661 OG SER A 41 2.922 -32.815 9.219 1.00 0.44 O ATOM 0 H SER A 41 0.670 -29.794 8.383 1.00 24.23 H new ATOM 0 HA SER A 41 2.803 -31.085 7.097 1.00 75.32 H new ATOM 0 HB2 SER A 41 2.721 -30.788 9.514 1.00 3.53 H new ATOM 0 HB3 SER A 41 1.235 -31.711 9.633 1.00 3.53 H new ATOM 0 HG SER A 41 3.101 -32.979 10.168 1.00 0.44 H new ATOM 667 N LEU A 42 -0.038 -32.749 7.141 1.00 33.33 N ATOM 668 CA LEU A 42 -0.742 -33.889 6.564 1.00 33.32 C ATOM 669 C LEU A 42 -0.704 -33.838 5.040 1.00 22.52 C ATOM 670 O LEU A 42 -0.435 -34.843 4.382 1.00 21.15 O ATOM 671 CB LEU A 42 -2.193 -33.916 7.049 1.00 70.25 C ATOM 672 CG LEU A 42 -2.472 -34.770 8.286 1.00 3.33 C ATOM 673 CD1 LEU A 42 -3.765 -34.332 8.956 1.00 31.30 C ATOM 674 CD2 LEU A 42 -2.533 -36.244 7.915 1.00 74.14 C ATOM 0 H LEU A 42 -0.626 -32.126 7.694 1.00 33.33 H new ATOM 0 HA LEU A 42 -0.239 -34.799 6.891 1.00 33.32 H new ATOM 0 HB2 LEU A 42 -2.503 -32.893 7.261 1.00 70.25 H new ATOM 0 HB3 LEU A 42 -2.821 -34.277 6.234 1.00 70.25 H new ATOM 0 HG LEU A 42 -1.655 -34.629 8.993 1.00 3.33 H new ATOM 0 HD11 LEU A 42 -3.947 -34.951 9.834 1.00 31.30 H new ATOM 0 HD12 LEU A 42 -3.683 -33.288 9.258 1.00 31.30 H new ATOM 0 HD13 LEU A 42 -4.593 -34.443 8.256 1.00 31.30 H new ATOM 0 HD21 LEU A 42 -2.732 -36.836 8.808 1.00 74.14 H new ATOM 0 HD22 LEU A 42 -3.330 -36.404 7.188 1.00 74.14 H new ATOM 0 HD23 LEU A 42 -1.581 -36.550 7.482 1.00 74.14 H new ATOM 686 N ALA A 43 -0.972 -32.661 4.486 1.00 54.04 N ATOM 687 CA ALA A 43 -0.964 -32.478 3.040 1.00 72.04 C ATOM 688 C ALA A 43 0.403 -32.810 2.452 1.00 62.01 C ATOM 689 O ALA A 43 0.516 -33.628 1.538 1.00 25.13 O ATOM 690 CB ALA A 43 -1.361 -31.052 2.686 1.00 61.43 C ATOM 0 H ALA A 43 -1.197 -31.819 5.016 1.00 54.04 H new ATOM 0 HA ALA A 43 -1.692 -33.164 2.608 1.00 72.04 H new ATOM 0 HB1 ALA A 43 -1.351 -30.930 1.603 1.00 61.43 H new ATOM 0 HB2 ALA A 43 -2.363 -30.849 3.065 1.00 61.43 H new ATOM 0 HB3 ALA A 43 -0.654 -30.355 3.137 1.00 61.43 H new ATOM 1082 N GLU A 67 -11.331 -37.417 -17.284 1.00 43.44 N ATOM 1083 CA GLU A 67 -10.917 -36.877 -18.575 1.00 32.44 C ATOM 1084 C GLU A 67 -11.615 -37.608 -19.718 1.00 44.05 C ATOM 1085 O GLU A 67 -12.044 -36.992 -20.694 1.00 52.20 O ATOM 1086 CB GLU A 67 -9.399 -36.987 -18.735 1.00 54.32 C ATOM 1087 CG GLU A 67 -8.640 -35.798 -18.170 1.00 53.01 C ATOM 1088 CD GLU A 67 -7.817 -35.079 -19.221 1.00 5.03 C ATOM 1089 OE1 GLU A 67 -6.868 -35.693 -19.752 1.00 45.11 O ATOM 1090 OE2 GLU A 67 -8.120 -33.903 -19.511 1.00 71.22 O ATOM 0 HA GLU A 67 -11.203 -35.826 -18.610 1.00 32.44 H new ATOM 0 HB2 GLU A 67 -9.055 -37.895 -18.241 1.00 54.32 H new ATOM 0 HB3 GLU A 67 -9.160 -37.090 -19.793 1.00 54.32 H new ATOM 0 HG2 GLU A 67 -9.347 -35.098 -17.726 1.00 53.01 H new ATOM 0 HG3 GLU A 67 -7.983 -36.138 -17.369 1.00 53.01 H new ATOM 1097 N LYS A 68 -11.723 -38.926 -19.592 1.00 33.14 N ATOM 1098 CA LYS A 68 -12.369 -39.743 -20.613 1.00 5.13 C ATOM 1099 C LYS A 68 -13.876 -39.513 -20.620 1.00 75.33 C ATOM 1100 O LYS A 68 -14.478 -39.314 -21.675 1.00 41.02 O ATOM 1101 CB LYS A 68 -12.069 -41.225 -20.374 1.00 43.44 C ATOM 1102 CG LYS A 68 -11.647 -41.969 -21.629 1.00 71.32 C ATOM 1103 CD LYS A 68 -11.964 -43.452 -21.531 1.00 21.13 C ATOM 1104 CE LYS A 68 -13.385 -43.750 -21.984 1.00 41.22 C ATOM 1105 NZ LYS A 68 -14.221 -44.285 -20.874 1.00 41.40 N ATOM 0 H LYS A 68 -11.371 -39.452 -18.792 1.00 33.14 H new ATOM 0 HA LYS A 68 -11.970 -39.450 -21.584 1.00 5.13 H new ATOM 0 HB2 LYS A 68 -11.280 -41.312 -19.627 1.00 43.44 H new ATOM 0 HB3 LYS A 68 -12.955 -41.704 -19.958 1.00 43.44 H new ATOM 0 HG2 LYS A 68 -12.156 -41.544 -22.494 1.00 71.32 H new ATOM 0 HG3 LYS A 68 -10.577 -41.834 -21.791 1.00 71.32 H new ATOM 0 HD2 LYS A 68 -11.260 -44.017 -22.143 1.00 21.13 H new ATOM 0 HD3 LYS A 68 -11.832 -43.786 -20.502 1.00 21.13 H new ATOM 0 HE2 LYS A 68 -13.840 -42.840 -22.375 1.00 41.22 H new ATOM 0 HE3 LYS A 68 -13.362 -44.471 -22.801 1.00 41.22 H new ATOM 0 HZ1 LYS A 68 -15.182 -44.475 -21.224 1.00 41.40 H new ATOM 0 HZ2 LYS A 68 -13.801 -45.167 -20.517 1.00 41.40 H new ATOM 0 HZ3 LYS A 68 -14.265 -43.587 -20.105 1.00 41.40 H new ATOM 1119 N ALA A 69 -14.481 -39.541 -19.437 1.00 22.40 N ATOM 1120 CA ALA A 69 -15.918 -39.333 -19.308 1.00 4.22 C ATOM 1121 C ALA A 69 -16.288 -37.880 -19.584 1.00 13.30 C ATOM 1122 O ALA A 69 -17.467 -37.537 -19.680 1.00 22.24 O ATOM 1123 CB ALA A 69 -16.388 -39.745 -17.921 1.00 32.21 C ATOM 0 H ALA A 69 -13.998 -39.706 -18.554 1.00 22.40 H new ATOM 0 HA ALA A 69 -16.419 -39.956 -20.049 1.00 4.22 H new ATOM 0 HB1 ALA A 69 -17.463 -39.584 -17.838 1.00 32.21 H new ATOM 0 HB2 ALA A 69 -16.165 -40.800 -17.760 1.00 32.21 H new ATOM 0 HB3 ALA A 69 -15.873 -39.146 -17.170 1.00 32.21 H new ATOM 1129 N SER A 70 -15.275 -37.029 -19.710 1.00 41.15 N ATOM 1130 CA SER A 70 -15.495 -35.611 -19.971 1.00 60.21 C ATOM 1131 C SER A 70 -15.065 -35.246 -21.389 1.00 32.41 C ATOM 1132 O SER A 70 -15.467 -34.213 -21.926 1.00 30.14 O ATOM 1133 CB SER A 70 -14.727 -34.760 -18.958 1.00 52.43 C ATOM 1134 OG SER A 70 -15.326 -34.828 -17.676 1.00 32.51 O ATOM 0 H SER A 70 -14.294 -37.297 -19.636 1.00 41.15 H new ATOM 0 HA SER A 70 -16.561 -35.409 -19.871 1.00 60.21 H new ATOM 0 HB2 SER A 70 -13.694 -35.103 -18.899 1.00 52.43 H new ATOM 0 HB3 SER A 70 -14.700 -33.724 -19.295 1.00 52.43 H new ATOM 0 HG SER A 70 -14.815 -34.277 -17.047 1.00 32.51 H new ATOM 1140 N LEU A 71 -14.246 -36.102 -21.990 1.00 41.23 N ATOM 1141 CA LEU A 71 -13.760 -35.871 -23.346 1.00 72.34 C ATOM 1142 C LEU A 71 -14.325 -36.909 -24.311 1.00 31.21 C ATOM 1143 O LEU A 71 -14.020 -36.896 -25.504 1.00 51.30 O ATOM 1144 CB LEU A 71 -12.231 -35.910 -23.375 1.00 73.43 C ATOM 1145 CG LEU A 71 -11.517 -34.800 -22.605 1.00 2.51 C ATOM 1146 CD1 LEU A 71 -10.346 -34.258 -23.411 1.00 73.51 C ATOM 1147 CD2 LEU A 71 -12.489 -33.682 -22.257 1.00 1.34 C ATOM 0 H LEU A 71 -13.905 -36.962 -21.560 1.00 41.23 H new ATOM 0 HA LEU A 71 -14.098 -34.885 -23.663 1.00 72.34 H new ATOM 0 HB2 LEU A 71 -11.904 -36.870 -22.975 1.00 73.43 H new ATOM 0 HB3 LEU A 71 -11.906 -35.870 -24.415 1.00 73.43 H new ATOM 0 HG LEU A 71 -11.129 -35.220 -21.677 1.00 2.51 H new ATOM 0 HD11 LEU A 71 -9.850 -33.469 -22.846 1.00 73.51 H new ATOM 0 HD12 LEU A 71 -9.638 -35.062 -23.609 1.00 73.51 H new ATOM 0 HD13 LEU A 71 -10.710 -33.854 -24.356 1.00 73.51 H new ATOM 0 HD21 LEU A 71 -11.963 -32.900 -21.709 1.00 1.34 H new ATOM 0 HD22 LEU A 71 -12.907 -33.265 -23.173 1.00 1.34 H new ATOM 0 HD23 LEU A 71 -13.294 -34.079 -21.639 1.00 1.34 H new ATOM 1159 N THR A 72 -15.153 -37.808 -23.787 1.00 23.11 N ATOM 1160 CA THR A 72 -15.762 -38.853 -24.601 1.00 5.52 C ATOM 1161 C THR A 72 -16.338 -38.279 -25.890 1.00 41.12 C ATOM 1162 O THR A 72 -16.375 -38.953 -26.918 1.00 63.24 O ATOM 1163 CB THR A 72 -16.879 -39.583 -23.833 1.00 20.51 C ATOM 1164 OG1 THR A 72 -17.295 -38.799 -22.710 1.00 34.24 O ATOM 1165 CG2 THR A 72 -16.405 -40.948 -23.357 1.00 70.41 C ATOM 0 H THR A 72 -15.417 -37.833 -22.802 1.00 23.11 H new ATOM 0 HA THR A 72 -14.973 -39.565 -24.844 1.00 5.52 H new ATOM 0 HB THR A 72 -17.722 -39.724 -24.509 1.00 20.51 H new ATOM 0 HG1 THR A 72 -16.707 -38.982 -21.947 1.00 34.24 H new ATOM 0 HG21 THR A 72 -17.211 -41.445 -22.817 1.00 70.41 H new ATOM 0 HG22 THR A 72 -16.117 -41.553 -24.217 1.00 70.41 H new ATOM 0 HG23 THR A 72 -15.547 -40.825 -22.696 1.00 70.41 H new ATOM 1173 N ASN A 73 -16.787 -37.029 -25.828 1.00 25.31 N ATOM 1174 CA ASN A 73 -17.361 -36.365 -26.992 1.00 14.21 C ATOM 1175 C ASN A 73 -17.247 -34.849 -26.864 1.00 53.32 C ATOM 1176 O ASN A 73 -18.011 -34.104 -27.479 1.00 52.45 O ATOM 1177 CB ASN A 73 -18.829 -36.765 -27.161 1.00 4.34 C ATOM 1178 CG ASN A 73 -19.364 -37.519 -25.959 1.00 12.43 C ATOM 1179 OD1 ASN A 73 -19.234 -38.740 -25.869 1.00 43.53 O ATOM 1180 ND2 ASN A 73 -19.971 -36.792 -25.027 1.00 72.33 N ATOM 0 H ASN A 73 -16.764 -36.456 -24.984 1.00 25.31 H new ATOM 0 HA ASN A 73 -16.802 -36.681 -27.873 1.00 14.21 H new ATOM 0 HB2 ASN A 73 -19.430 -35.870 -27.323 1.00 4.34 H new ATOM 0 HB3 ASN A 73 -18.934 -37.385 -28.052 1.00 4.34 H new ATOM 0 HD21 ASN A 73 -20.352 -37.244 -24.196 1.00 72.33 H new ATOM 0 HD22 ASN A 73 -20.056 -35.782 -25.143 1.00 72.33 H new ATOM 1187 N LEU A 74 -16.289 -34.399 -26.062 1.00 44.34 N ATOM 1188 CA LEU A 74 -16.073 -32.971 -25.854 1.00 31.02 C ATOM 1189 C LEU A 74 -14.719 -32.538 -26.408 1.00 34.14 C ATOM 1190 O LEU A 74 -14.064 -31.654 -25.855 1.00 24.31 O ATOM 1191 CB LEU A 74 -16.159 -32.634 -24.364 1.00 63.51 C ATOM 1192 CG LEU A 74 -17.409 -33.128 -23.635 1.00 71.13 C ATOM 1193 CD1 LEU A 74 -17.644 -32.318 -22.370 1.00 22.23 C ATOM 1194 CD2 LEU A 74 -18.623 -33.056 -24.550 1.00 11.41 C ATOM 0 H LEU A 74 -15.649 -35.002 -25.545 1.00 44.34 H new ATOM 0 HA LEU A 74 -16.853 -32.429 -26.389 1.00 31.02 H new ATOM 0 HB2 LEU A 74 -15.284 -33.052 -23.866 1.00 63.51 H new ATOM 0 HB3 LEU A 74 -16.102 -31.551 -24.253 1.00 63.51 H new ATOM 0 HG LEU A 74 -17.254 -34.169 -23.352 1.00 71.13 H new ATOM 0 HD11 LEU A 74 -18.538 -32.684 -21.865 1.00 22.23 H new ATOM 0 HD12 LEU A 74 -16.785 -32.421 -21.707 1.00 22.23 H new ATOM 0 HD13 LEU A 74 -17.778 -31.268 -22.630 1.00 22.23 H new ATOM 0 HD21 LEU A 74 -19.504 -33.411 -24.015 1.00 11.41 H new ATOM 0 HD22 LEU A 74 -18.781 -32.024 -24.864 1.00 11.41 H new ATOM 0 HD23 LEU A 74 -18.455 -33.681 -25.427 1.00 11.41 H new ATOM 1206 N THR A 75 -14.307 -33.165 -27.505 1.00 24.11 N ATOM 1207 CA THR A 75 -13.032 -32.844 -28.135 1.00 30.43 C ATOM 1208 C THR A 75 -12.765 -33.753 -29.329 1.00 62.20 C ATOM 1209 O THR A 75 -13.041 -34.953 -29.301 1.00 4.21 O ATOM 1210 CB THR A 75 -11.865 -32.970 -27.137 1.00 71.31 C ATOM 1211 OG1 THR A 75 -12.295 -33.674 -25.966 1.00 52.43 O ATOM 1212 CG2 THR A 75 -11.338 -31.598 -26.746 1.00 24.25 C ATOM 0 H THR A 75 -14.838 -33.898 -27.976 1.00 24.11 H new ATOM 0 HA THR A 75 -13.099 -31.811 -28.476 1.00 30.43 H new ATOM 0 HB THR A 75 -11.061 -33.526 -27.619 1.00 71.31 H new ATOM 0 HG1 THR A 75 -12.451 -34.615 -26.189 1.00 52.43 H new ATOM 0 HG21 THR A 75 -10.515 -31.712 -26.041 1.00 24.25 H new ATOM 0 HG22 THR A 75 -10.984 -31.077 -27.636 1.00 24.25 H new ATOM 0 HG23 THR A 75 -12.137 -31.020 -26.281 1.00 24.25 H new ATOM 1220 N PRO A 76 -12.214 -33.171 -30.405 1.00 32.32 N ATOM 1221 CA PRO A 76 -11.896 -33.912 -31.630 1.00 14.45 C ATOM 1222 C PRO A 76 -10.734 -34.880 -31.437 1.00 12.34 C ATOM 1223 O PRO A 76 -10.695 -35.946 -32.049 1.00 35.30 O ATOM 1224 CB PRO A 76 -11.515 -32.810 -32.621 1.00 55.33 C ATOM 1225 CG PRO A 76 -11.045 -31.681 -31.771 1.00 1.31 C ATOM 1226 CD PRO A 76 -11.859 -31.746 -30.508 1.00 60.03 C ATOM 0 HA PRO A 76 -12.730 -34.532 -31.960 1.00 14.45 H new ATOM 0 HB2 PRO A 76 -10.733 -33.144 -33.303 1.00 55.33 H new ATOM 0 HB3 PRO A 76 -12.368 -32.516 -33.233 1.00 55.33 H new ATOM 0 HG2 PRO A 76 -9.981 -31.773 -31.554 1.00 1.31 H new ATOM 0 HG3 PRO A 76 -11.186 -30.726 -32.277 1.00 1.31 H new ATOM 0 HD2 PRO A 76 -11.287 -31.411 -29.643 1.00 60.03 H new ATOM 0 HD3 PRO A 76 -12.745 -31.114 -30.568 1.00 60.03 H new ATOM 1234 N GLU A 77 -9.790 -34.500 -30.582 1.00 24.45 N ATOM 1235 CA GLU A 77 -8.626 -35.336 -30.309 1.00 73.43 C ATOM 1236 C GLU A 77 -9.048 -36.766 -29.981 1.00 12.44 C ATOM 1237 O GLU A 77 -8.635 -37.716 -30.647 1.00 0.23 O ATOM 1238 CB GLU A 77 -7.812 -34.754 -29.152 1.00 20.52 C ATOM 1239 CG GLU A 77 -6.537 -34.057 -29.595 1.00 1.11 C ATOM 1240 CD GLU A 77 -5.299 -34.901 -29.362 1.00 1.15 C ATOM 1241 OE1 GLU A 77 -5.017 -35.786 -30.196 1.00 52.44 O ATOM 1242 OE2 GLU A 77 -4.612 -34.676 -28.343 1.00 44.23 O ATOM 0 H GLU A 77 -9.808 -33.620 -30.067 1.00 24.45 H new ATOM 0 HA GLU A 77 -8.006 -35.355 -31.205 1.00 73.43 H new ATOM 0 HB2 GLU A 77 -8.432 -34.045 -28.603 1.00 20.52 H new ATOM 0 HB3 GLU A 77 -7.556 -35.556 -28.460 1.00 20.52 H new ATOM 0 HG2 GLU A 77 -6.611 -33.812 -30.655 1.00 1.11 H new ATOM 0 HG3 GLU A 77 -6.436 -33.115 -29.056 1.00 1.11 H new ATOM 1249 N LEU A 78 -9.873 -36.910 -28.949 1.00 60.24 N ATOM 1250 CA LEU A 78 -10.352 -38.223 -28.531 1.00 25.14 C ATOM 1251 C LEU A 78 -10.950 -38.986 -29.708 1.00 45.25 C ATOM 1252 O LEU A 78 -10.517 -40.093 -30.030 1.00 1.15 O ATOM 1253 CB LEU A 78 -11.394 -38.078 -27.421 1.00 2.45 C ATOM 1254 CG LEU A 78 -10.846 -37.885 -26.006 1.00 44.22 C ATOM 1255 CD1 LEU A 78 -10.040 -39.101 -25.576 1.00 1.33 C ATOM 1256 CD2 LEU A 78 -9.995 -36.625 -25.931 1.00 31.21 C ATOM 0 H LEU A 78 -10.224 -36.134 -28.387 1.00 60.24 H new ATOM 0 HA LEU A 78 -9.501 -38.788 -28.151 1.00 25.14 H new ATOM 0 HB2 LEU A 78 -12.034 -37.229 -27.660 1.00 2.45 H new ATOM 0 HB3 LEU A 78 -12.027 -38.966 -27.426 1.00 2.45 H new ATOM 0 HG LEU A 78 -11.688 -37.772 -25.323 1.00 44.22 H new ATOM 0 HD11 LEU A 78 -9.658 -38.946 -24.567 1.00 1.33 H new ATOM 0 HD12 LEU A 78 -10.678 -39.984 -25.591 1.00 1.33 H new ATOM 0 HD13 LEU A 78 -9.205 -39.245 -26.262 1.00 1.33 H new ATOM 0 HD21 LEU A 78 -9.613 -36.503 -24.917 1.00 31.21 H new ATOM 0 HD22 LEU A 78 -9.159 -36.709 -26.626 1.00 31.21 H new ATOM 0 HD23 LEU A 78 -10.602 -35.760 -26.196 1.00 31.21 H new ATOM 1268 N LYS A 79 -11.946 -38.386 -30.351 1.00 3.51 N ATOM 1269 CA LYS A 79 -12.602 -39.005 -31.496 1.00 21.30 C ATOM 1270 C LYS A 79 -11.575 -39.593 -32.459 1.00 52.42 C ATOM 1271 O LYS A 79 -11.774 -40.676 -33.008 1.00 21.00 O ATOM 1272 CB LYS A 79 -13.474 -37.981 -32.226 1.00 33.52 C ATOM 1273 CG LYS A 79 -14.908 -37.938 -31.726 1.00 2.52 C ATOM 1274 CD LYS A 79 -15.819 -37.218 -32.707 1.00 23.34 C ATOM 1275 CE LYS A 79 -15.567 -35.718 -32.704 1.00 21.31 C ATOM 1276 NZ LYS A 79 -15.114 -35.229 -34.036 1.00 21.54 N ATOM 0 H LYS A 79 -12.317 -37.470 -30.098 1.00 3.51 H new ATOM 0 HA LYS A 79 -13.234 -39.814 -31.128 1.00 21.30 H new ATOM 0 HB2 LYS A 79 -13.029 -36.992 -32.115 1.00 33.52 H new ATOM 0 HB3 LYS A 79 -13.476 -38.211 -33.291 1.00 33.52 H new ATOM 0 HG2 LYS A 79 -15.271 -38.954 -31.570 1.00 2.52 H new ATOM 0 HG3 LYS A 79 -14.942 -37.435 -30.760 1.00 2.52 H new ATOM 0 HD2 LYS A 79 -15.659 -37.613 -33.710 1.00 23.34 H new ATOM 0 HD3 LYS A 79 -16.860 -37.414 -32.449 1.00 23.34 H new ATOM 0 HE2 LYS A 79 -16.480 -35.197 -32.417 1.00 21.31 H new ATOM 0 HE3 LYS A 79 -14.814 -35.478 -31.954 1.00 21.31 H new ATOM 0 HZ1 LYS A 79 -14.953 -34.202 -33.993 1.00 21.54 H new ATOM 0 HZ2 LYS A 79 -14.229 -35.707 -34.299 1.00 21.54 H new ATOM 0 HZ3 LYS A 79 -15.843 -35.435 -34.748 1.00 21.54 H new ATOM 1290 N ALA A 80 -10.477 -38.871 -32.659 1.00 31.14 N ATOM 1291 CA ALA A 80 -9.418 -39.323 -33.553 1.00 11.24 C ATOM 1292 C ALA A 80 -8.717 -40.557 -32.994 1.00 55.32 C ATOM 1293 O ALA A 80 -8.504 -41.537 -33.707 1.00 60.03 O ATOM 1294 CB ALA A 80 -8.414 -38.204 -33.788 1.00 63.53 C ATOM 0 H ALA A 80 -10.298 -37.971 -32.214 1.00 31.14 H new ATOM 0 HA ALA A 80 -9.872 -39.596 -34.506 1.00 11.24 H new ATOM 0 HB1 ALA A 80 -7.628 -38.555 -34.457 1.00 63.53 H new ATOM 0 HB2 ALA A 80 -8.920 -37.350 -34.238 1.00 63.53 H new ATOM 0 HB3 ALA A 80 -7.974 -37.905 -32.837 1.00 63.53 H new ATOM 1300 N SER A 81 -8.361 -40.501 -31.715 1.00 32.12 N ATOM 1301 CA SER A 81 -7.680 -41.613 -31.062 1.00 31.00 C ATOM 1302 C SER A 81 -8.562 -42.858 -31.049 1.00 62.13 C ATOM 1303 O SER A 81 -8.124 -43.946 -31.424 1.00 10.53 O ATOM 1304 CB SER A 81 -7.294 -41.233 -29.631 1.00 51.02 C ATOM 1305 OG SER A 81 -6.156 -40.389 -29.617 1.00 50.11 O ATOM 0 H SER A 81 -8.533 -39.698 -31.110 1.00 32.12 H new ATOM 0 HA SER A 81 -6.775 -41.835 -31.628 1.00 31.00 H new ATOM 0 HB2 SER A 81 -8.131 -40.729 -29.147 1.00 51.02 H new ATOM 0 HB3 SER A 81 -7.089 -42.135 -29.055 1.00 51.02 H new ATOM 0 HG SER A 81 -5.931 -40.159 -28.691 1.00 50.11 H new ATOM 1311 N MET A 82 -9.807 -42.689 -30.616 1.00 24.54 N ATOM 1312 CA MET A 82 -10.751 -43.799 -30.555 1.00 12.11 C ATOM 1313 C MET A 82 -11.010 -44.369 -31.946 1.00 14.02 C ATOM 1314 O MET A 82 -11.091 -45.585 -32.124 1.00 3.45 O ATOM 1315 CB MET A 82 -12.068 -43.342 -29.925 1.00 12.52 C ATOM 1316 CG MET A 82 -11.883 -42.510 -28.666 1.00 51.31 C ATOM 1317 SD MET A 82 -12.826 -43.147 -27.268 1.00 21.15 S ATOM 1318 CE MET A 82 -11.675 -44.347 -26.602 1.00 4.24 C ATOM 0 H MET A 82 -10.185 -41.795 -30.303 1.00 24.54 H new ATOM 0 HA MET A 82 -10.313 -44.582 -29.936 1.00 12.11 H new ATOM 0 HB2 MET A 82 -12.628 -42.760 -30.656 1.00 12.52 H new ATOM 0 HB3 MET A 82 -12.670 -44.218 -29.686 1.00 12.52 H new ATOM 0 HG2 MET A 82 -10.825 -42.484 -28.404 1.00 51.31 H new ATOM 0 HG3 MET A 82 -12.187 -41.483 -28.866 1.00 51.31 H new ATOM 0 HE1 MET A 82 -12.116 -44.828 -25.729 1.00 4.24 H new ATOM 0 HE2 MET A 82 -11.456 -45.100 -27.359 1.00 4.24 H new ATOM 0 HE3 MET A 82 -10.752 -43.844 -26.312 1.00 4.24 H new ATOM 1328 N ASP A 83 -11.141 -43.484 -32.928 1.00 24.10 N ATOM 1329 CA ASP A 83 -11.390 -43.900 -34.303 1.00 50.34 C ATOM 1330 C ASP A 83 -10.256 -44.781 -34.819 1.00 14.21 C ATOM 1331 O ASP A 83 -10.496 -45.822 -35.429 1.00 20.20 O ATOM 1332 CB ASP A 83 -11.553 -42.676 -35.207 1.00 20.32 C ATOM 1333 CG ASP A 83 -11.875 -43.053 -36.639 1.00 73.34 C ATOM 1334 OD1 ASP A 83 -13.032 -43.442 -36.905 1.00 31.40 O ATOM 1335 OD2 ASP A 83 -10.971 -42.959 -37.495 1.00 50.52 O ATOM 0 H ASP A 83 -11.079 -42.474 -32.797 1.00 24.10 H new ATOM 0 HA ASP A 83 -12.313 -44.480 -34.319 1.00 50.34 H new ATOM 0 HB2 ASP A 83 -12.347 -42.041 -34.814 1.00 20.32 H new ATOM 0 HB3 ASP A 83 -10.635 -42.088 -35.187 1.00 20.32 H new ATOM 1340 N GLU A 84 -9.022 -44.354 -34.570 1.00 31.51 N ATOM 1341 CA GLU A 84 -7.852 -45.104 -35.011 1.00 70.51 C ATOM 1342 C GLU A 84 -7.743 -46.431 -34.265 1.00 21.02 C ATOM 1343 O GLU A 84 -7.326 -47.442 -34.831 1.00 24.43 O ATOM 1344 CB GLU A 84 -6.580 -44.281 -34.798 1.00 14.42 C ATOM 1345 CG GLU A 84 -6.233 -43.382 -35.973 1.00 31.11 C ATOM 1346 CD GLU A 84 -4.779 -43.499 -36.387 1.00 1.23 C ATOM 1347 OE1 GLU A 84 -3.899 -43.361 -35.511 1.00 54.33 O ATOM 1348 OE2 GLU A 84 -4.521 -43.729 -37.587 1.00 10.21 O ATOM 0 H GLU A 84 -8.807 -43.494 -34.066 1.00 31.51 H new ATOM 0 HA GLU A 84 -7.967 -45.313 -36.075 1.00 70.51 H new ATOM 0 HB2 GLU A 84 -6.699 -43.668 -33.905 1.00 14.42 H new ATOM 0 HB3 GLU A 84 -5.746 -44.958 -34.611 1.00 14.42 H new ATOM 0 HG2 GLU A 84 -6.870 -43.636 -36.820 1.00 31.11 H new ATOM 0 HG3 GLU A 84 -6.450 -42.347 -35.710 1.00 31.11 H new ATOM 1355 N LEU A 85 -8.120 -46.419 -32.991 1.00 72.11 N ATOM 1356 CA LEU A 85 -8.065 -47.621 -32.165 1.00 42.55 C ATOM 1357 C LEU A 85 -9.165 -48.602 -32.558 1.00 4.03 C ATOM 1358 O LEU A 85 -8.987 -49.817 -32.469 1.00 5.10 O ATOM 1359 CB LEU A 85 -8.197 -47.253 -30.686 1.00 60.34 C ATOM 1360 CG LEU A 85 -6.888 -47.132 -29.905 1.00 70.13 C ATOM 1361 CD1 LEU A 85 -6.329 -45.722 -30.016 1.00 21.20 C ATOM 1362 CD2 LEU A 85 -7.100 -47.511 -28.447 1.00 13.32 C ATOM 0 H LEU A 85 -8.467 -45.591 -32.507 1.00 72.11 H new ATOM 0 HA LEU A 85 -7.100 -48.102 -32.328 1.00 42.55 H new ATOM 0 HB2 LEU A 85 -8.729 -46.304 -30.614 1.00 60.34 H new ATOM 0 HB3 LEU A 85 -8.819 -48.004 -30.199 1.00 60.34 H new ATOM 0 HG LEU A 85 -6.164 -47.823 -30.337 1.00 70.13 H new ATOM 0 HD11 LEU A 85 -5.397 -45.655 -29.454 1.00 21.20 H new ATOM 0 HD12 LEU A 85 -6.139 -45.487 -31.063 1.00 21.20 H new ATOM 0 HD13 LEU A 85 -7.050 -45.012 -29.610 1.00 21.20 H new ATOM 0 HD21 LEU A 85 -6.158 -47.419 -27.906 1.00 13.32 H new ATOM 0 HD22 LEU A 85 -7.840 -46.846 -28.002 1.00 13.32 H new ATOM 0 HD23 LEU A 85 -7.454 -48.540 -28.386 1.00 13.32 H new ATOM 1374 N ARG A 86 -10.300 -48.067 -32.994 1.00 13.25 N ATOM 1375 CA ARG A 86 -11.429 -48.895 -33.401 1.00 24.54 C ATOM 1376 C ARG A 86 -11.146 -49.582 -34.733 1.00 63.45 C ATOM 1377 O ARG A 86 -11.298 -50.797 -34.860 1.00 43.05 O ATOM 1378 CB ARG A 86 -12.698 -48.048 -33.511 1.00 24.24 C ATOM 1379 CG ARG A 86 -13.944 -48.748 -32.994 1.00 61.31 C ATOM 1380 CD ARG A 86 -14.515 -48.041 -31.775 1.00 31.31 C ATOM 1381 NE ARG A 86 -13.724 -48.295 -30.574 1.00 64.31 N ATOM 1382 CZ ARG A 86 -14.191 -48.145 -29.340 1.00 54.10 C ATOM 1383 NH1 ARG A 86 -15.440 -47.744 -29.145 1.00 72.32 N ATOM 1384 NH2 ARG A 86 -13.410 -48.396 -28.298 1.00 3.24 N ATOM 0 H ARG A 86 -10.463 -47.063 -33.075 1.00 13.25 H new ATOM 0 HA ARG A 86 -11.578 -49.661 -32.640 1.00 24.54 H new ATOM 0 HB2 ARG A 86 -12.555 -47.121 -32.955 1.00 24.24 H new ATOM 0 HB3 ARG A 86 -12.852 -47.774 -34.555 1.00 24.24 H new ATOM 0 HG2 ARG A 86 -14.697 -48.782 -33.782 1.00 61.31 H new ATOM 0 HG3 ARG A 86 -13.703 -49.780 -32.738 1.00 61.31 H new ATOM 0 HD2 ARG A 86 -14.554 -46.968 -31.963 1.00 31.31 H new ATOM 0 HD3 ARG A 86 -15.540 -48.373 -31.611 1.00 31.31 H new ATOM 0 HE ARG A 86 -12.759 -48.605 -30.689 1.00 64.31 H new ATOM 0 HH11 ARG A 86 -16.044 -47.550 -29.944 1.00 72.32 H new ATOM 0 HH12 ARG A 86 -15.797 -47.629 -28.196 1.00 72.32 H new ATOM 0 HH21 ARG A 86 -12.449 -48.705 -28.444 1.00 3.24 H new ATOM 0 HH22 ARG A 86 -13.770 -48.280 -27.351 1.00 3.24 H new ATOM 1398 N GLN A 87 -10.734 -48.796 -35.723 1.00 34.10 N ATOM 1399 CA GLN A 87 -10.432 -49.329 -37.046 1.00 62.01 C ATOM 1400 C GLN A 87 -9.261 -50.305 -36.985 1.00 52.33 C ATOM 1401 O GLN A 87 -9.288 -51.361 -37.616 1.00 22.22 O ATOM 1402 CB GLN A 87 -10.113 -48.191 -38.017 1.00 5.23 C ATOM 1403 CG GLN A 87 -11.222 -47.157 -38.129 1.00 22.45 C ATOM 1404 CD GLN A 87 -11.745 -47.014 -39.544 1.00 34.00 C ATOM 1405 OE1 GLN A 87 -12.361 -47.932 -40.086 1.00 70.14 O ATOM 1406 NE2 GLN A 87 -11.503 -45.858 -40.151 1.00 13.12 N ATOM 0 H GLN A 87 -10.602 -47.789 -35.634 1.00 34.10 H new ATOM 0 HA GLN A 87 -11.311 -49.866 -37.403 1.00 62.01 H new ATOM 0 HB2 GLN A 87 -9.197 -47.696 -37.695 1.00 5.23 H new ATOM 0 HB3 GLN A 87 -9.918 -48.611 -39.004 1.00 5.23 H new ATOM 0 HG2 GLN A 87 -12.043 -47.437 -37.469 1.00 22.45 H new ATOM 0 HG3 GLN A 87 -10.850 -46.192 -37.784 1.00 22.45 H new ATOM 0 HE21 GLN A 87 -10.988 -45.124 -39.664 1.00 13.12 H new ATOM 0 HE22 GLN A 87 -11.832 -45.704 -41.104 1.00 13.12 H new ATOM 1415 N ALA A 88 -8.235 -49.943 -36.222 1.00 42.15 N ATOM 1416 CA ALA A 88 -7.055 -50.787 -36.078 1.00 74.22 C ATOM 1417 C ALA A 88 -7.392 -52.080 -35.343 1.00 12.11 C ATOM 1418 O ALA A 88 -6.978 -53.164 -35.752 1.00 45.10 O ATOM 1419 CB ALA A 88 -5.953 -50.034 -35.348 1.00 33.01 C ATOM 0 H ALA A 88 -8.197 -49.071 -35.694 1.00 42.15 H new ATOM 0 HA ALA A 88 -6.701 -51.048 -37.075 1.00 74.22 H new ATOM 0 HB1 ALA A 88 -5.078 -50.676 -35.248 1.00 33.01 H new ATOM 0 HB2 ALA A 88 -5.685 -49.142 -35.914 1.00 33.01 H new ATOM 0 HB3 ALA A 88 -6.305 -49.743 -34.358 1.00 33.01 H new ATOM 1425 N ALA A 89 -8.146 -51.957 -34.255 1.00 61.32 N ATOM 1426 CA ALA A 89 -8.539 -53.116 -33.464 1.00 32.53 C ATOM 1427 C ALA A 89 -9.501 -54.010 -34.239 1.00 53.13 C ATOM 1428 O ALA A 89 -9.374 -55.234 -34.225 1.00 1.33 O ATOM 1429 CB ALA A 89 -9.170 -52.671 -32.153 1.00 10.03 C ATOM 0 H ALA A 89 -8.496 -51.067 -33.902 1.00 61.32 H new ATOM 0 HA ALA A 89 -7.642 -53.696 -33.245 1.00 32.53 H new ATOM 0 HB1 ALA A 89 -9.459 -53.547 -31.572 1.00 10.03 H new ATOM 0 HB2 ALA A 89 -8.451 -52.080 -31.585 1.00 10.03 H new ATOM 0 HB3 ALA A 89 -10.053 -52.066 -32.361 1.00 10.03 H new ATOM 1435 N GLU A 90 -10.464 -53.390 -34.915 1.00 2.54 N ATOM 1436 CA GLU A 90 -11.448 -54.130 -35.695 1.00 32.44 C ATOM 1437 C GLU A 90 -10.797 -54.789 -36.907 1.00 73.34 C ATOM 1438 O GLU A 90 -10.986 -55.980 -37.156 1.00 51.03 O ATOM 1439 CB GLU A 90 -12.576 -53.201 -36.149 1.00 63.21 C ATOM 1440 CG GLU A 90 -13.656 -52.996 -35.100 1.00 63.32 C ATOM 1441 CD GLU A 90 -14.565 -51.826 -35.420 1.00 73.12 C ATOM 1442 OE1 GLU A 90 -14.192 -51.002 -36.281 1.00 75.33 O ATOM 1443 OE2 GLU A 90 -15.651 -51.735 -34.809 1.00 44.30 O ATOM 0 H GLU A 90 -10.583 -52.377 -34.938 1.00 2.54 H new ATOM 0 HA GLU A 90 -11.865 -54.911 -35.059 1.00 32.44 H new ATOM 0 HB2 GLU A 90 -12.152 -52.233 -36.416 1.00 63.21 H new ATOM 0 HB3 GLU A 90 -13.031 -53.610 -37.051 1.00 63.21 H new ATOM 0 HG2 GLU A 90 -14.254 -53.904 -35.017 1.00 63.32 H new ATOM 0 HG3 GLU A 90 -13.188 -52.833 -34.129 1.00 63.32 H new ATOM 1450 N SER A 91 -10.031 -54.006 -37.659 1.00 4.41 N ATOM 1451 CA SER A 91 -9.355 -54.511 -38.848 1.00 41.33 C ATOM 1452 C SER A 91 -8.467 -55.702 -38.504 1.00 23.43 C ATOM 1453 O SER A 91 -8.463 -56.712 -39.208 1.00 1.50 O ATOM 1454 CB SER A 91 -8.517 -53.405 -39.493 1.00 3.02 C ATOM 1455 OG SER A 91 -7.749 -53.910 -40.572 1.00 13.12 O ATOM 0 H SER A 91 -9.863 -53.019 -37.466 1.00 4.41 H new ATOM 0 HA SER A 91 -10.116 -54.840 -39.556 1.00 41.33 H new ATOM 0 HB2 SER A 91 -9.172 -52.610 -39.849 1.00 3.02 H new ATOM 0 HB3 SER A 91 -7.856 -52.964 -38.747 1.00 3.02 H new ATOM 0 HG SER A 91 -7.224 -53.183 -40.968 1.00 13.12 H new ATOM 1461 N MET A 92 -7.715 -55.577 -37.415 1.00 10.31 N ATOM 1462 CA MET A 92 -6.823 -56.643 -36.975 1.00 71.43 C ATOM 1463 C MET A 92 -7.616 -57.876 -36.554 1.00 73.43 C ATOM 1464 O MET A 92 -7.287 -59.000 -36.936 1.00 4.33 O ATOM 1465 CB MET A 92 -5.952 -56.162 -35.814 1.00 25.23 C ATOM 1466 CG MET A 92 -4.581 -55.666 -36.247 1.00 35.12 C ATOM 1467 SD MET A 92 -3.452 -55.446 -34.859 1.00 22.02 S ATOM 1468 CE MET A 92 -4.472 -54.489 -33.740 1.00 72.31 C ATOM 0 H MET A 92 -7.706 -54.748 -36.821 1.00 10.31 H new ATOM 0 HA MET A 92 -6.181 -56.914 -37.813 1.00 71.43 H new ATOM 0 HB2 MET A 92 -6.471 -55.359 -35.290 1.00 25.23 H new ATOM 0 HB3 MET A 92 -5.826 -56.978 -35.103 1.00 25.23 H new ATOM 0 HG2 MET A 92 -4.149 -56.375 -36.953 1.00 35.12 H new ATOM 0 HG3 MET A 92 -4.692 -54.718 -36.774 1.00 35.12 H new ATOM 0 HE1 MET A 92 -3.846 -54.049 -32.964 1.00 72.31 H new ATOM 0 HE2 MET A 92 -4.975 -53.696 -34.294 1.00 72.31 H new ATOM 0 HE3 MET A 92 -5.217 -55.139 -33.281 1.00 72.31 H new ATOM 1478 N LYS A 93 -8.663 -57.660 -35.766 1.00 14.15 N ATOM 1479 CA LYS A 93 -9.505 -58.753 -35.293 1.00 1.10 C ATOM 1480 C LYS A 93 -10.242 -59.413 -36.454 1.00 24.42 C ATOM 1481 O LYS A 93 -10.650 -60.571 -36.364 1.00 31.34 O ATOM 1482 CB LYS A 93 -10.512 -58.239 -34.262 1.00 33.11 C ATOM 1483 CG LYS A 93 -11.880 -57.935 -34.847 1.00 54.14 C ATOM 1484 CD LYS A 93 -12.790 -59.151 -34.799 1.00 55.24 C ATOM 1485 CE LYS A 93 -14.235 -58.756 -34.534 1.00 0.45 C ATOM 1486 NZ LYS A 93 -15.193 -59.624 -35.273 1.00 44.42 N ATOM 0 H LYS A 93 -8.950 -56.737 -35.441 1.00 14.15 H new ATOM 0 HA LYS A 93 -8.862 -59.497 -34.824 1.00 1.10 H new ATOM 0 HB2 LYS A 93 -10.621 -58.982 -33.472 1.00 33.11 H new ATOM 0 HB3 LYS A 93 -10.116 -57.336 -33.798 1.00 33.11 H new ATOM 0 HG2 LYS A 93 -12.338 -57.114 -34.295 1.00 54.14 H new ATOM 0 HG3 LYS A 93 -11.770 -57.603 -35.879 1.00 54.14 H new ATOM 0 HD2 LYS A 93 -12.727 -59.691 -35.743 1.00 55.24 H new ATOM 0 HD3 LYS A 93 -12.449 -59.832 -34.019 1.00 55.24 H new ATOM 0 HE2 LYS A 93 -14.438 -58.819 -33.465 1.00 0.45 H new ATOM 0 HE3 LYS A 93 -14.387 -57.717 -34.826 1.00 0.45 H new ATOM 0 HZ1 LYS A 93 -16.166 -59.322 -35.065 1.00 44.42 H new ATOM 0 HZ2 LYS A 93 -15.016 -59.545 -36.295 1.00 44.42 H new ATOM 0 HZ3 LYS A 93 -15.066 -60.612 -34.976 1.00 44.42 H new ATOM 1500 N ARG A 94 -10.407 -58.671 -37.543 1.00 43.54 N ATOM 1501 CA ARG A 94 -11.094 -59.185 -38.722 1.00 1.22 C ATOM 1502 C ARG A 94 -10.155 -60.037 -39.570 1.00 22.50 C ATOM 1503 O ARG A 94 -10.566 -61.043 -40.149 1.00 41.22 O ATOM 1504 CB ARG A 94 -11.648 -58.031 -39.559 1.00 54.13 C ATOM 1505 CG ARG A 94 -12.374 -58.484 -40.816 1.00 11.14 C ATOM 1506 CD ARG A 94 -13.455 -57.494 -41.222 1.00 62.31 C ATOM 1507 NE ARG A 94 -13.195 -56.908 -42.534 1.00 62.22 N ATOM 1508 CZ ARG A 94 -13.476 -57.518 -43.680 1.00 62.23 C ATOM 1509 NH1 ARG A 94 -14.023 -58.726 -43.676 1.00 13.34 N ATOM 1510 NH2 ARG A 94 -13.210 -56.920 -44.834 1.00 43.14 N ATOM 0 H ARG A 94 -10.074 -57.711 -37.634 1.00 43.54 H new ATOM 0 HA ARG A 94 -11.921 -59.811 -38.386 1.00 1.22 H new ATOM 0 HB2 ARG A 94 -12.332 -57.444 -38.946 1.00 54.13 H new ATOM 0 HB3 ARG A 94 -10.827 -57.371 -39.841 1.00 54.13 H new ATOM 0 HG2 ARG A 94 -11.658 -58.597 -41.630 1.00 11.14 H new ATOM 0 HG3 ARG A 94 -12.821 -59.463 -40.646 1.00 11.14 H new ATOM 0 HD2 ARG A 94 -14.422 -57.998 -41.235 1.00 62.31 H new ATOM 0 HD3 ARG A 94 -13.519 -56.701 -40.477 1.00 62.31 H new ATOM 0 HE ARG A 94 -12.775 -55.979 -42.573 1.00 62.22 H new ATOM 0 HH11 ARG A 94 -14.229 -59.190 -42.791 1.00 13.34 H new ATOM 0 HH12 ARG A 94 -14.238 -59.192 -44.558 1.00 13.34 H new ATOM 0 HH21 ARG A 94 -12.789 -55.991 -44.842 1.00 43.14 H new ATOM 0 HH22 ARG A 94 -13.426 -57.389 -45.713 1.00 43.14 H new ATOM 1524 N SER A 95 -8.892 -59.628 -39.639 1.00 20.34 N ATOM 1525 CA SER A 95 -7.895 -60.352 -40.419 1.00 53.12 C ATOM 1526 C SER A 95 -7.185 -61.394 -39.561 1.00 21.21 C ATOM 1527 O SER A 95 -6.358 -62.162 -40.054 1.00 41.40 O ATOM 1528 CB SER A 95 -6.873 -59.378 -41.009 1.00 74.11 C ATOM 1529 OG SER A 95 -7.428 -58.082 -41.152 1.00 4.34 O ATOM 0 H SER A 95 -8.535 -58.799 -39.164 1.00 20.34 H new ATOM 0 HA SER A 95 -8.409 -60.866 -41.232 1.00 53.12 H new ATOM 0 HB2 SER A 95 -5.995 -59.332 -40.364 1.00 74.11 H new ATOM 0 HB3 SER A 95 -6.537 -59.742 -41.980 1.00 74.11 H new ATOM 0 HG SER A 95 -7.418 -57.625 -40.285 1.00 4.34 H new ATOM 1535 N TYR A 96 -7.514 -61.415 -38.274 1.00 44.11 N ATOM 1536 CA TYR A 96 -6.906 -62.361 -37.345 1.00 51.43 C ATOM 1537 C TYR A 96 -7.944 -63.343 -36.811 1.00 71.05 C ATOM 1538 O TYR A 96 -7.814 -64.555 -36.982 1.00 72.31 O ATOM 1539 CB TYR A 96 -6.248 -61.615 -36.183 1.00 12.10 C ATOM 1540 CG TYR A 96 -5.804 -62.520 -35.057 1.00 21.53 C ATOM 1541 CD1 TYR A 96 -5.554 -63.869 -35.280 1.00 13.20 C ATOM 1542 CD2 TYR A 96 -5.633 -62.027 -33.769 1.00 24.10 C ATOM 1543 CE1 TYR A 96 -5.149 -64.700 -34.254 1.00 0.24 C ATOM 1544 CE2 TYR A 96 -5.226 -62.850 -32.737 1.00 30.42 C ATOM 1545 CZ TYR A 96 -4.986 -64.186 -32.984 1.00 50.00 C ATOM 1546 OH TYR A 96 -4.581 -65.010 -31.959 1.00 60.22 O ATOM 0 H TYR A 96 -8.198 -60.788 -37.850 1.00 44.11 H new ATOM 0 HA TYR A 96 -6.144 -62.923 -37.885 1.00 51.43 H new ATOM 0 HB2 TYR A 96 -5.385 -61.065 -36.558 1.00 12.10 H new ATOM 0 HB3 TYR A 96 -6.950 -60.879 -35.791 1.00 12.10 H new ATOM 0 HD1 TYR A 96 -5.679 -64.274 -36.273 1.00 13.20 H new ATOM 0 HD2 TYR A 96 -5.822 -60.982 -33.571 1.00 24.10 H new ATOM 0 HE1 TYR A 96 -4.961 -65.746 -34.445 1.00 0.24 H new ATOM 0 HE2 TYR A 96 -5.096 -62.450 -31.742 1.00 30.42 H new ATOM 0 HH TYR A 96 -4.514 -64.492 -31.130 1.00 60.22 H new