USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 449 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 64 HIS : no HD1:sc= -0.27 K(o=-0.27,f=-1.3) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.357 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 91 LYS NZ :NH3+ 169:sc= 2.1 (180deg=1.86) USER MOD Single : A 92 LYS NZ :NH3+ -158:sc= 1.33 (180deg=1.11) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -169:sc= 0 (180deg=-0.207) USER MOD Single : A 102 SER OG : rot 180:sc= 0.216 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= -0.0416 K(o=-0.042,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 218 N ALA A 61 -13.498 11.306 -8.718 1.00 0.00 N ATOM 219 CA ALA A 61 -12.817 10.493 -7.705 1.00 0.00 C ATOM 220 C ALA A 61 -13.795 9.913 -6.670 1.00 0.00 C ATOM 221 O ALA A 61 -14.796 10.550 -6.330 1.00 0.00 O ATOM 222 CB ALA A 61 -11.756 11.352 -7.006 1.00 0.00 C ATOM 0 HA ALA A 61 -12.348 9.647 -8.208 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.244 10.755 -6.251 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.032 11.706 -7.741 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.236 12.207 -6.529 1.00 0.00 H new ATOM 228 N ALA A 62 -13.475 8.732 -6.136 1.00 0.00 N ATOM 229 CA ALA A 62 -14.241 8.037 -5.102 1.00 0.00 C ATOM 230 C ALA A 62 -13.472 7.800 -3.793 1.00 0.00 C ATOM 231 O ALA A 62 -12.243 7.702 -3.775 1.00 0.00 O ATOM 232 CB ALA A 62 -14.790 6.726 -5.682 1.00 0.00 C ATOM 0 H ALA A 62 -12.644 8.215 -6.424 1.00 0.00 H new ATOM 0 HA ALA A 62 -15.062 8.694 -4.815 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.363 6.201 -4.917 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.436 6.946 -6.532 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.962 6.098 -6.010 1.00 0.00 H new ATOM 238 N LEU A 63 -14.220 7.685 -2.688 1.00 0.00 N ATOM 239 CA LEU A 63 -13.704 7.484 -1.329 1.00 0.00 C ATOM 240 C LEU A 63 -14.304 6.235 -0.668 1.00 0.00 C ATOM 241 O LEU A 63 -15.470 5.895 -0.889 1.00 0.00 O ATOM 242 CB LEU A 63 -14.005 8.720 -0.457 1.00 0.00 C ATOM 243 CG LEU A 63 -13.435 10.062 -0.951 1.00 0.00 C ATOM 244 CD1 LEU A 63 -13.866 11.184 -0.006 1.00 0.00 C ATOM 245 CD2 LEU A 63 -11.909 10.054 -1.002 1.00 0.00 C ATOM 0 H LEU A 63 -15.239 7.731 -2.718 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.626 7.341 -1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.087 8.820 -0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.619 8.533 0.545 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.821 10.221 -1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.461 12.132 -0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -14.954 11.241 0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.491 10.979 0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.552 11.021 -1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.513 9.864 -0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.572 9.272 -1.682 1.00 0.00 H new ATOM 257 N HIS A 64 -13.528 5.597 0.211 1.00 0.00 N ATOM 258 CA HIS A 64 -14.031 4.626 1.191 1.00 0.00 C ATOM 259 C HIS A 64 -14.876 5.340 2.260 1.00 0.00 C ATOM 260 O HIS A 64 -14.510 6.426 2.716 1.00 0.00 O ATOM 261 CB HIS A 64 -12.845 3.909 1.847 1.00 0.00 C ATOM 262 CG HIS A 64 -12.096 2.954 0.955 1.00 0.00 C ATOM 263 ND1 HIS A 64 -12.597 1.744 0.471 1.00 0.00 N ATOM 264 CD2 HIS A 64 -10.785 3.073 0.590 1.00 0.00 C ATOM 265 CE1 HIS A 64 -11.574 1.163 -0.180 1.00 0.00 C ATOM 266 NE2 HIS A 64 -10.476 1.939 -0.130 1.00 0.00 N ATOM 0 H HIS A 64 -12.520 5.741 0.265 1.00 0.00 H new ATOM 0 HA HIS A 64 -14.661 3.895 0.685 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -12.146 4.660 2.215 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -13.209 3.360 2.715 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.122 3.894 0.820 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.626 0.205 -0.675 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.572 1.725 -0.552 1.00 0.00 H new ATOM 274 N ALA A 65 -15.985 4.729 2.688 1.00 0.00 N ATOM 275 CA ALA A 65 -16.964 5.363 3.586 1.00 0.00 C ATOM 276 C ALA A 65 -16.904 4.885 5.055 1.00 0.00 C ATOM 277 O ALA A 65 -17.451 5.552 5.934 1.00 0.00 O ATOM 278 CB ALA A 65 -18.355 5.140 2.979 1.00 0.00 C ATOM 0 H ALA A 65 -16.233 3.776 2.422 1.00 0.00 H new ATOM 0 HA ALA A 65 -16.721 6.423 3.653 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.109 5.598 3.619 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.397 5.593 1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.549 4.071 2.897 1.00 0.00 H new ATOM 284 N GLU A 66 -16.261 3.744 5.334 1.00 0.00 N ATOM 285 CA GLU A 66 -16.282 3.065 6.645 1.00 0.00 C ATOM 286 C GLU A 66 -14.905 2.504 7.054 1.00 0.00 C ATOM 287 O GLU A 66 -14.028 2.280 6.212 1.00 0.00 O ATOM 288 CB GLU A 66 -17.325 1.930 6.631 1.00 0.00 C ATOM 289 CG GLU A 66 -18.768 2.421 6.456 1.00 0.00 C ATOM 290 CD GLU A 66 -19.766 1.256 6.591 1.00 0.00 C ATOM 291 OE1 GLU A 66 -20.091 0.604 5.567 1.00 0.00 O ATOM 292 OE2 GLU A 66 -20.242 0.983 7.720 1.00 0.00 O ATOM 0 H GLU A 66 -15.697 3.252 4.641 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.553 3.817 7.387 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.085 1.238 5.823 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.252 1.370 7.563 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -18.990 3.183 7.203 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -18.881 2.890 5.479 1.00 0.00 H new ATOM 299 N GLY A 67 -14.722 2.254 8.358 1.00 0.00 N ATOM 300 CA GLY A 67 -13.498 1.667 8.927 1.00 0.00 C ATOM 301 C GLY A 67 -12.277 2.607 8.915 1.00 0.00 C ATOM 302 O GLY A 67 -12.426 3.815 8.704 1.00 0.00 O ATOM 0 H GLY A 67 -15.433 2.457 9.061 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.698 1.364 9.955 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.251 0.763 8.371 1.00 0.00 H new ATOM 306 N PRO A 68 -11.047 2.080 9.104 1.00 0.00 N ATOM 307 CA PRO A 68 -9.811 2.881 9.124 1.00 0.00 C ATOM 308 C PRO A 68 -9.548 3.652 7.817 1.00 0.00 C ATOM 309 O PRO A 68 -8.860 4.675 7.821 1.00 0.00 O ATOM 310 CB PRO A 68 -8.682 1.876 9.388 1.00 0.00 C ATOM 311 CG PRO A 68 -9.260 0.525 8.976 1.00 0.00 C ATOM 312 CD PRO A 68 -10.738 0.670 9.314 1.00 0.00 C ATOM 0 HA PRO A 68 -9.886 3.654 9.889 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.792 2.119 8.808 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.388 1.877 10.438 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.106 0.326 7.915 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.799 -0.296 9.525 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.351 0.034 8.675 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -10.936 0.373 10.344 1.00 0.00 H new ATOM 320 N LEU A 69 -10.109 3.170 6.706 1.00 0.00 N ATOM 321 CA LEU A 69 -10.010 3.761 5.370 1.00 0.00 C ATOM 322 C LEU A 69 -11.046 4.876 5.111 1.00 0.00 C ATOM 323 O LEU A 69 -10.963 5.535 4.075 1.00 0.00 O ATOM 324 CB LEU A 69 -10.084 2.605 4.346 1.00 0.00 C ATOM 325 CG LEU A 69 -8.727 2.133 3.786 1.00 0.00 C ATOM 326 CD1 LEU A 69 -7.679 1.864 4.867 1.00 0.00 C ATOM 327 CD2 LEU A 69 -8.909 0.826 3.012 1.00 0.00 C ATOM 0 H LEU A 69 -10.670 2.318 6.714 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.057 4.281 5.270 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.579 1.756 4.817 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.713 2.919 3.513 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.374 2.947 3.152 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.750 1.536 4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.497 2.778 5.433 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.041 1.087 5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.946 0.499 2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.308 0.061 3.678 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.602 0.986 2.186 1.00 0.00 H new ATOM 339 N ALA A 70 -11.997 5.127 6.021 1.00 0.00 N ATOM 340 CA ALA A 70 -13.021 6.157 5.840 1.00 0.00 C ATOM 341 C ALA A 70 -12.408 7.533 5.494 1.00 0.00 C ATOM 342 O ALA A 70 -11.543 8.044 6.212 1.00 0.00 O ATOM 343 CB ALA A 70 -13.892 6.242 7.099 1.00 0.00 C ATOM 0 H ALA A 70 -12.075 4.620 6.903 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.643 5.872 4.991 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -14.654 7.009 6.963 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.373 5.280 7.274 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -13.269 6.497 7.956 1.00 0.00 H new ATOM 349 N GLY A 71 -12.863 8.127 4.386 1.00 0.00 N ATOM 350 CA GLY A 71 -12.367 9.408 3.868 1.00 0.00 C ATOM 351 C GLY A 71 -11.202 9.326 2.880 1.00 0.00 C ATOM 352 O GLY A 71 -10.756 10.373 2.405 1.00 0.00 O ATOM 0 H GLY A 71 -13.602 7.723 3.811 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.194 9.925 3.382 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.058 10.024 4.713 1.00 0.00 H new ATOM 356 N LEU A 72 -10.696 8.128 2.570 1.00 0.00 N ATOM 357 CA LEU A 72 -9.508 7.931 1.729 1.00 0.00 C ATOM 358 C LEU A 72 -9.865 7.393 0.320 1.00 0.00 C ATOM 359 O LEU A 72 -10.888 6.718 0.184 1.00 0.00 O ATOM 360 CB LEU A 72 -8.541 7.001 2.486 1.00 0.00 C ATOM 361 CG LEU A 72 -8.156 7.396 3.925 1.00 0.00 C ATOM 362 CD1 LEU A 72 -7.047 6.460 4.412 1.00 0.00 C ATOM 363 CD2 LEU A 72 -7.653 8.837 4.045 1.00 0.00 C ATOM 0 H LEU A 72 -11.105 7.254 2.901 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.025 8.891 1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.986 6.006 2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.624 6.922 1.902 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.059 7.313 4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.765 6.729 5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.406 5.431 4.395 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.179 6.553 3.759 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.400 9.049 5.084 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.768 8.967 3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.433 9.523 3.715 1.00 0.00 H new ATOM 375 N PRO A 73 -9.052 7.652 -0.730 1.00 0.00 N ATOM 376 CA PRO A 73 -9.284 7.165 -2.102 1.00 0.00 C ATOM 377 C PRO A 73 -9.436 5.649 -2.176 1.00 0.00 C ATOM 378 O PRO A 73 -8.707 4.910 -1.511 1.00 0.00 O ATOM 379 CB PRO A 73 -8.076 7.634 -2.927 1.00 0.00 C ATOM 380 CG PRO A 73 -6.984 7.839 -1.878 1.00 0.00 C ATOM 381 CD PRO A 73 -7.771 8.345 -0.677 1.00 0.00 C ATOM 0 HA PRO A 73 -10.223 7.564 -2.486 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.785 6.891 -3.670 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.292 8.556 -3.466 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.456 6.912 -1.656 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.236 8.561 -2.206 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.247 8.130 0.254 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.907 9.425 -0.724 1.00 0.00 H new ATOM 389 N VAL A 74 -10.345 5.174 -3.027 1.00 0.00 N ATOM 390 CA VAL A 74 -10.485 3.735 -3.304 1.00 0.00 C ATOM 391 C VAL A 74 -9.368 3.246 -4.236 1.00 0.00 C ATOM 392 O VAL A 74 -8.881 2.125 -4.073 1.00 0.00 O ATOM 393 CB VAL A 74 -11.891 3.390 -3.841 1.00 0.00 C ATOM 394 CG1 VAL A 74 -12.094 1.880 -3.995 1.00 0.00 C ATOM 395 CG2 VAL A 74 -12.989 3.892 -2.893 1.00 0.00 C ATOM 0 H VAL A 74 -11.000 5.763 -3.541 1.00 0.00 H new ATOM 0 HA VAL A 74 -10.377 3.199 -2.361 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.961 3.879 -4.812 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -13.097 1.685 -4.375 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.357 1.483 -4.693 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.973 1.396 -3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -13.967 3.633 -3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.867 3.425 -1.916 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.914 4.974 -2.790 1.00 0.00 H new ATOM 405 N THR A 75 -8.913 4.092 -5.169 1.00 0.00 N ATOM 406 CA THR A 75 -7.922 3.747 -6.210 1.00 0.00 C ATOM 407 C THR A 75 -6.829 4.810 -6.373 1.00 0.00 C ATOM 408 O THR A 75 -6.965 5.947 -5.918 1.00 0.00 O ATOM 409 CB THR A 75 -8.610 3.499 -7.569 1.00 0.00 C ATOM 410 OG1 THR A 75 -8.844 4.725 -8.231 1.00 0.00 O ATOM 411 CG2 THR A 75 -9.949 2.766 -7.457 1.00 0.00 C ATOM 0 H THR A 75 -9.228 5.060 -5.227 1.00 0.00 H new ATOM 0 HA THR A 75 -7.439 2.830 -5.872 1.00 0.00 H new ATOM 0 HB THR A 75 -7.923 2.864 -8.129 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.279 4.554 -9.092 1.00 0.00 H new ATOM 0 HG21 THR A 75 -10.372 2.628 -8.452 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.793 1.793 -6.990 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.636 3.354 -6.849 1.00 0.00 H new ATOM 419 N ARG A 76 -5.741 4.468 -7.083 1.00 0.00 N ATOM 420 CA ARG A 76 -4.693 5.439 -7.462 1.00 0.00 C ATOM 421 C ARG A 76 -5.247 6.543 -8.359 1.00 0.00 C ATOM 422 O ARG A 76 -4.824 7.684 -8.222 1.00 0.00 O ATOM 423 CB ARG A 76 -3.502 4.683 -8.090 1.00 0.00 C ATOM 424 CG ARG A 76 -2.277 5.571 -8.394 1.00 0.00 C ATOM 425 CD ARG A 76 -2.262 6.174 -9.811 1.00 0.00 C ATOM 426 NE ARG A 76 -1.063 7.018 -10.014 1.00 0.00 N ATOM 427 CZ ARG A 76 0.172 6.605 -10.246 1.00 0.00 C ATOM 428 NH1 ARG A 76 0.472 5.348 -10.377 1.00 0.00 N ATOM 429 NH2 ARG A 76 1.151 7.453 -10.334 1.00 0.00 N ATOM 0 H ARG A 76 -5.561 3.519 -7.410 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.330 5.950 -6.571 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.198 3.883 -7.415 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.833 4.211 -9.015 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.243 6.382 -7.667 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.372 4.980 -8.255 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.278 5.374 -10.551 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.161 6.770 -9.966 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.204 8.027 -9.970 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.257 4.639 -10.301 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.437 5.070 -10.555 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.973 8.451 -10.224 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.099 7.121 -10.513 1.00 0.00 H new ATOM 443 N SER A 77 -6.224 6.243 -9.213 1.00 0.00 N ATOM 444 CA SER A 77 -6.917 7.245 -10.038 1.00 0.00 C ATOM 445 C SER A 77 -7.733 8.214 -9.178 1.00 0.00 C ATOM 446 O SER A 77 -7.668 9.422 -9.403 1.00 0.00 O ATOM 447 CB SER A 77 -7.820 6.566 -11.075 1.00 0.00 C ATOM 448 OG SER A 77 -7.052 5.683 -11.884 1.00 0.00 O ATOM 0 H SER A 77 -6.563 5.292 -9.357 1.00 0.00 H new ATOM 0 HA SER A 77 -6.154 7.821 -10.561 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.614 6.014 -10.572 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.301 7.319 -11.699 1.00 0.00 H new ATOM 0 HG SER A 77 -7.636 5.252 -12.543 1.00 0.00 H new ATOM 454 N ASP A 78 -8.410 7.731 -8.129 1.00 0.00 N ATOM 455 CA ASP A 78 -9.076 8.617 -7.165 1.00 0.00 C ATOM 456 C ASP A 78 -8.051 9.496 -6.443 1.00 0.00 C ATOM 457 O ASP A 78 -8.243 10.702 -6.361 1.00 0.00 O ATOM 458 CB ASP A 78 -9.896 7.850 -6.122 1.00 0.00 C ATOM 459 CG ASP A 78 -10.920 6.877 -6.711 1.00 0.00 C ATOM 460 OD1 ASP A 78 -11.607 7.241 -7.697 1.00 0.00 O ATOM 461 OD2 ASP A 78 -11.087 5.797 -6.110 1.00 0.00 O ATOM 0 H ASP A 78 -8.511 6.737 -7.926 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.762 9.235 -7.744 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.214 7.294 -5.479 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.418 8.568 -5.489 1.00 0.00 H new ATOM 466 N ALA A 79 -6.935 8.929 -5.975 1.00 0.00 N ATOM 467 CA ALA A 79 -5.882 9.674 -5.281 1.00 0.00 C ATOM 468 C ALA A 79 -5.248 10.764 -6.172 1.00 0.00 C ATOM 469 O ALA A 79 -5.146 11.921 -5.767 1.00 0.00 O ATOM 470 CB ALA A 79 -4.846 8.659 -4.777 1.00 0.00 C ATOM 0 H ALA A 79 -6.736 7.933 -6.068 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.310 10.215 -4.437 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.047 9.184 -4.254 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.326 7.957 -4.095 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.429 8.114 -5.624 1.00 0.00 H new ATOM 476 N ARG A 80 -4.906 10.415 -7.421 1.00 0.00 N ATOM 477 CA ARG A 80 -4.420 11.327 -8.475 1.00 0.00 C ATOM 478 C ARG A 80 -5.388 12.490 -8.691 1.00 0.00 C ATOM 479 O ARG A 80 -4.970 13.645 -8.659 1.00 0.00 O ATOM 480 CB ARG A 80 -4.217 10.490 -9.756 1.00 0.00 C ATOM 481 CG ARG A 80 -3.628 11.268 -10.942 1.00 0.00 C ATOM 482 CD ARG A 80 -3.605 10.390 -12.201 1.00 0.00 C ATOM 483 NE ARG A 80 -3.040 11.119 -13.356 1.00 0.00 N ATOM 484 CZ ARG A 80 -3.306 10.915 -14.638 1.00 0.00 C ATOM 485 NH1 ARG A 80 -4.121 9.983 -15.042 1.00 0.00 N ATOM 486 NH2 ARG A 80 -2.748 11.655 -15.553 1.00 0.00 N ATOM 0 H ARG A 80 -4.962 9.448 -7.741 1.00 0.00 H new ATOM 0 HA ARG A 80 -3.474 11.782 -8.182 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.559 9.652 -9.526 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.177 10.069 -10.055 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -4.220 12.164 -11.127 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.617 11.598 -10.703 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -3.015 9.493 -12.011 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -4.617 10.061 -12.436 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.372 11.860 -13.143 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -4.581 9.378 -14.362 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -4.299 9.858 -16.039 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -2.102 12.397 -15.285 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.957 11.492 -16.538 1.00 0.00 H new ATOM 500 N VAL A 81 -6.681 12.204 -8.857 1.00 0.00 N ATOM 501 CA VAL A 81 -7.697 13.233 -9.132 1.00 0.00 C ATOM 502 C VAL A 81 -8.071 14.037 -7.878 1.00 0.00 C ATOM 503 O VAL A 81 -8.308 15.235 -8.003 1.00 0.00 O ATOM 504 CB VAL A 81 -8.916 12.642 -9.866 1.00 0.00 C ATOM 505 CG1 VAL A 81 -9.999 13.702 -10.112 1.00 0.00 C ATOM 506 CG2 VAL A 81 -8.506 12.111 -11.248 1.00 0.00 C ATOM 0 H VAL A 81 -7.057 11.257 -8.806 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.251 13.957 -9.814 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.301 11.846 -9.229 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -10.842 13.247 -10.632 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.336 14.106 -9.157 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.589 14.507 -10.722 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.379 11.697 -11.752 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.095 12.926 -11.844 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.752 11.332 -11.130 1.00 0.00 H new ATOM 516 N LEU A 82 -8.033 13.464 -6.669 1.00 0.00 N ATOM 517 CA LEU A 82 -8.183 14.232 -5.421 1.00 0.00 C ATOM 518 C LEU A 82 -7.047 15.255 -5.256 1.00 0.00 C ATOM 519 O LEU A 82 -7.323 16.432 -5.023 1.00 0.00 O ATOM 520 CB LEU A 82 -8.246 13.268 -4.219 1.00 0.00 C ATOM 521 CG LEU A 82 -9.569 12.486 -4.106 1.00 0.00 C ATOM 522 CD1 LEU A 82 -9.375 11.300 -3.168 1.00 0.00 C ATOM 523 CD2 LEU A 82 -10.720 13.342 -3.577 1.00 0.00 C ATOM 0 H LEU A 82 -7.899 12.463 -6.525 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.116 14.793 -5.467 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.422 12.558 -4.293 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.094 13.838 -3.302 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.833 12.158 -5.112 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.309 10.745 -3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.598 10.646 -3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.079 11.660 -2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.626 12.738 -3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.469 13.716 -2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.887 14.183 -4.250 1.00 0.00 H new ATOM 535 N ILE A 83 -5.783 14.848 -5.457 1.00 0.00 N ATOM 536 CA ILE A 83 -4.626 15.768 -5.411 1.00 0.00 C ATOM 537 C ILE A 83 -4.741 16.841 -6.507 1.00 0.00 C ATOM 538 O ILE A 83 -4.524 18.024 -6.242 1.00 0.00 O ATOM 539 CB ILE A 83 -3.291 14.991 -5.520 1.00 0.00 C ATOM 540 CG1 ILE A 83 -3.084 14.063 -4.297 1.00 0.00 C ATOM 541 CG2 ILE A 83 -2.108 15.974 -5.639 1.00 0.00 C ATOM 542 CD1 ILE A 83 -2.017 12.982 -4.515 1.00 0.00 C ATOM 0 H ILE A 83 -5.531 13.880 -5.655 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.632 16.274 -4.445 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.335 14.373 -6.417 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.803 14.669 -3.436 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.031 13.582 -4.053 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.176 15.414 -5.715 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.235 16.590 -6.529 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.076 16.614 -4.757 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.928 12.372 -3.616 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.305 12.351 -5.355 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.058 13.455 -4.728 1.00 0.00 H new ATOM 554 N PHE A 84 -5.128 16.446 -7.723 1.00 0.00 N ATOM 555 CA PHE A 84 -5.335 17.366 -8.846 1.00 0.00 C ATOM 556 C PHE A 84 -6.421 18.412 -8.551 1.00 0.00 C ATOM 557 O PHE A 84 -6.176 19.606 -8.704 1.00 0.00 O ATOM 558 CB PHE A 84 -5.694 16.545 -10.093 1.00 0.00 C ATOM 559 CG PHE A 84 -6.015 17.318 -11.360 1.00 0.00 C ATOM 560 CD1 PHE A 84 -5.478 18.596 -11.601 1.00 0.00 C ATOM 561 CD2 PHE A 84 -6.859 16.732 -12.323 1.00 0.00 C ATOM 562 CE1 PHE A 84 -5.756 19.271 -12.797 1.00 0.00 C ATOM 563 CE2 PHE A 84 -7.148 17.412 -13.520 1.00 0.00 C ATOM 564 CZ PHE A 84 -6.585 18.676 -13.761 1.00 0.00 C ATOM 0 H PHE A 84 -5.308 15.470 -7.958 1.00 0.00 H new ATOM 0 HA PHE A 84 -4.412 17.921 -9.014 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.862 15.874 -10.307 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.554 15.920 -9.851 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.846 19.060 -10.858 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -7.286 15.757 -12.142 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.333 20.248 -12.977 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.802 16.963 -14.253 1.00 0.00 H new ATOM 0 HZ PHE A 84 -6.790 19.190 -14.688 1.00 0.00 H new ATOM 574 N ASN A 85 -7.605 17.995 -8.101 1.00 0.00 N ATOM 575 CA ASN A 85 -8.711 18.915 -7.843 1.00 0.00 C ATOM 576 C ASN A 85 -8.434 19.830 -6.629 1.00 0.00 C ATOM 577 O ASN A 85 -8.818 21.001 -6.636 1.00 0.00 O ATOM 578 CB ASN A 85 -9.996 18.090 -7.663 1.00 0.00 C ATOM 579 CG ASN A 85 -11.231 18.973 -7.557 1.00 0.00 C ATOM 580 OD1 ASN A 85 -11.487 19.827 -8.394 1.00 0.00 O ATOM 581 ND2 ASN A 85 -12.045 18.791 -6.541 1.00 0.00 N ATOM 0 H ASN A 85 -7.823 17.018 -7.907 1.00 0.00 H new ATOM 0 HA ASN A 85 -8.828 19.587 -8.693 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -10.110 17.408 -8.505 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -9.911 17.477 -6.766 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -12.886 19.361 -6.453 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -11.835 18.080 -5.841 1.00 0.00 H new ATOM 588 N GLU A 86 -7.722 19.319 -5.614 1.00 0.00 N ATOM 589 CA GLU A 86 -7.224 20.116 -4.488 1.00 0.00 C ATOM 590 C GLU A 86 -6.274 21.220 -4.977 1.00 0.00 C ATOM 591 O GLU A 86 -6.546 22.397 -4.730 1.00 0.00 O ATOM 592 CB GLU A 86 -6.551 19.195 -3.454 1.00 0.00 C ATOM 593 CG GLU A 86 -6.045 19.915 -2.195 1.00 0.00 C ATOM 594 CD GLU A 86 -7.156 20.522 -1.308 1.00 0.00 C ATOM 595 OE1 GLU A 86 -8.338 20.111 -1.393 1.00 0.00 O ATOM 596 OE2 GLU A 86 -6.827 21.409 -0.483 1.00 0.00 O ATOM 0 H GLU A 86 -7.474 18.331 -5.553 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.064 20.612 -4.002 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.262 18.424 -3.156 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.711 18.688 -3.930 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.466 19.210 -1.598 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.364 20.711 -2.497 1.00 0.00 H new ATOM 603 N TRP A 87 -5.216 20.872 -5.730 1.00 0.00 N ATOM 604 CA TRP A 87 -4.377 21.842 -6.429 1.00 0.00 C ATOM 605 C TRP A 87 -5.202 22.839 -7.252 1.00 0.00 C ATOM 606 O TRP A 87 -4.953 24.028 -7.134 1.00 0.00 O ATOM 607 CB TRP A 87 -3.366 21.118 -7.332 1.00 0.00 C ATOM 608 CG TRP A 87 -2.645 22.031 -8.277 1.00 0.00 C ATOM 609 CD1 TRP A 87 -1.541 22.746 -7.976 1.00 0.00 C ATOM 610 CD2 TRP A 87 -3.014 22.430 -9.637 1.00 0.00 C ATOM 611 NE1 TRP A 87 -1.207 23.565 -9.035 1.00 0.00 N ATOM 612 CE2 TRP A 87 -2.086 23.414 -10.085 1.00 0.00 C ATOM 613 CE3 TRP A 87 -4.059 22.087 -10.523 1.00 0.00 C ATOM 614 CZ2 TRP A 87 -2.188 24.030 -11.339 1.00 0.00 C ATOM 615 CZ3 TRP A 87 -4.187 22.715 -11.778 1.00 0.00 C ATOM 616 CH2 TRP A 87 -3.252 23.684 -12.186 1.00 0.00 C ATOM 0 H TRP A 87 -4.924 19.904 -5.867 1.00 0.00 H new ATOM 0 HA TRP A 87 -3.842 22.413 -5.670 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -2.635 20.605 -6.707 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -3.888 20.352 -7.906 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -0.999 22.686 -7.044 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -0.410 24.202 -9.040 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.773 21.330 -10.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -1.457 24.762 -11.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -5.007 22.451 -12.430 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -3.353 24.161 -13.150 1.00 0.00 H new ATOM 627 N GLU A 88 -6.183 22.403 -8.044 1.00 0.00 N ATOM 628 CA GLU A 88 -6.930 23.283 -8.955 1.00 0.00 C ATOM 629 C GLU A 88 -7.738 24.355 -8.195 1.00 0.00 C ATOM 630 O GLU A 88 -7.639 25.550 -8.501 1.00 0.00 O ATOM 631 CB GLU A 88 -7.815 22.413 -9.866 1.00 0.00 C ATOM 632 CG GLU A 88 -8.183 23.062 -11.205 1.00 0.00 C ATOM 633 CD GLU A 88 -9.197 24.218 -11.099 1.00 0.00 C ATOM 634 OE1 GLU A 88 -10.247 24.069 -10.430 1.00 0.00 O ATOM 635 OE2 GLU A 88 -8.967 25.266 -11.752 1.00 0.00 O ATOM 0 H GLU A 88 -6.485 21.429 -8.075 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.227 23.841 -9.574 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.299 21.473 -10.062 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.733 22.167 -9.332 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.273 23.436 -11.675 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.592 22.297 -11.865 1.00 0.00 H new ATOM 642 N GLU A 89 -8.464 23.959 -7.141 1.00 0.00 N ATOM 643 CA GLU A 89 -9.199 24.894 -6.284 1.00 0.00 C ATOM 644 C GLU A 89 -8.254 25.865 -5.550 1.00 0.00 C ATOM 645 O GLU A 89 -8.473 27.084 -5.564 1.00 0.00 O ATOM 646 CB GLU A 89 -10.069 24.100 -5.295 1.00 0.00 C ATOM 647 CG GLU A 89 -10.983 25.019 -4.477 1.00 0.00 C ATOM 648 CD GLU A 89 -11.941 24.198 -3.592 1.00 0.00 C ATOM 649 OE1 GLU A 89 -13.052 23.843 -4.059 1.00 0.00 O ATOM 650 OE2 GLU A 89 -11.599 23.914 -2.418 1.00 0.00 O ATOM 0 H GLU A 89 -8.557 22.983 -6.860 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.844 25.509 -6.912 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.675 23.378 -5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.427 23.532 -4.621 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.379 25.677 -3.852 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.558 25.657 -5.148 1.00 0.00 H new ATOM 657 N ARG A 90 -7.156 25.347 -4.970 1.00 0.00 N ATOM 658 CA ARG A 90 -6.117 26.178 -4.340 1.00 0.00 C ATOM 659 C ARG A 90 -5.552 27.178 -5.338 1.00 0.00 C ATOM 660 O ARG A 90 -5.515 28.359 -5.040 1.00 0.00 O ATOM 661 CB ARG A 90 -4.962 25.322 -3.817 1.00 0.00 C ATOM 662 CG ARG A 90 -5.361 24.346 -2.712 1.00 0.00 C ATOM 663 CD ARG A 90 -5.152 24.903 -1.299 1.00 0.00 C ATOM 664 NE ARG A 90 -5.552 23.895 -0.306 1.00 0.00 N ATOM 665 CZ ARG A 90 -5.350 23.888 0.994 1.00 0.00 C ATOM 666 NH1 ARG A 90 -4.738 24.848 1.630 1.00 0.00 N ATOM 667 NH2 ARG A 90 -5.784 22.864 1.664 1.00 0.00 N ATOM 0 H ARG A 90 -6.966 24.346 -4.925 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.588 26.701 -3.508 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.536 24.759 -4.648 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.178 25.979 -3.441 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.410 24.078 -2.837 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.782 23.429 -2.822 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.106 25.174 -1.155 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.738 25.812 -1.165 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.056 23.089 -0.676 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.388 25.657 1.117 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.609 24.790 2.640 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.262 22.103 1.180 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.647 22.820 2.674 1.00 0.00 H new ATOM 681 N LYS A 91 -5.170 26.711 -6.528 1.00 0.00 N ATOM 682 CA LYS A 91 -4.609 27.519 -7.629 1.00 0.00 C ATOM 683 C LYS A 91 -5.533 28.676 -8.027 1.00 0.00 C ATOM 684 O LYS A 91 -5.048 29.791 -8.230 1.00 0.00 O ATOM 685 CB LYS A 91 -4.297 26.616 -8.843 1.00 0.00 C ATOM 686 CG LYS A 91 -3.357 27.240 -9.884 1.00 0.00 C ATOM 687 CD LYS A 91 -1.929 27.373 -9.332 1.00 0.00 C ATOM 688 CE LYS A 91 -0.910 27.628 -10.452 1.00 0.00 C ATOM 689 NZ LYS A 91 0.477 27.683 -9.906 1.00 0.00 N ATOM 0 H LYS A 91 -5.243 25.722 -6.767 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.681 27.967 -7.273 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.853 25.688 -8.483 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.235 26.352 -9.332 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.346 26.625 -10.784 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.731 28.222 -10.174 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.891 28.191 -8.612 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.660 26.463 -8.795 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.980 26.838 -11.200 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.144 28.566 -10.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.160 27.669 -10.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.599 28.557 -9.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.640 26.861 -9.290 1.00 0.00 H new ATOM 703 N LYS A 92 -6.854 28.446 -8.085 1.00 0.00 N ATOM 704 CA LYS A 92 -7.852 29.518 -8.286 1.00 0.00 C ATOM 705 C LYS A 92 -7.920 30.512 -7.115 1.00 0.00 C ATOM 706 O LYS A 92 -8.031 31.715 -7.364 1.00 0.00 O ATOM 707 CB LYS A 92 -9.237 28.909 -8.574 1.00 0.00 C ATOM 708 CG LYS A 92 -9.378 28.284 -9.974 1.00 0.00 C ATOM 709 CD LYS A 92 -9.265 29.322 -11.106 1.00 0.00 C ATOM 710 CE LYS A 92 -9.715 28.779 -12.473 1.00 0.00 C ATOM 711 NZ LYS A 92 -8.819 27.709 -12.991 1.00 0.00 N ATOM 0 H LYS A 92 -7.263 27.516 -7.995 1.00 0.00 H new ATOM 0 HA LYS A 92 -7.525 30.095 -9.151 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.447 28.145 -7.825 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -9.993 29.685 -8.458 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -8.608 27.524 -10.106 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -10.341 27.779 -10.046 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.868 30.194 -10.852 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.231 29.660 -11.179 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -10.729 28.388 -12.388 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -9.748 29.598 -13.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -8.922 27.639 -14.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -7.832 27.939 -12.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -9.076 26.800 -12.555 1.00 0.00 H new ATOM 725 N SER A 93 -7.818 30.056 -5.863 1.00 0.00 N ATOM 726 CA SER A 93 -7.821 30.948 -4.681 1.00 0.00 C ATOM 727 C SER A 93 -6.486 31.677 -4.411 1.00 0.00 C ATOM 728 O SER A 93 -6.490 32.807 -3.916 1.00 0.00 O ATOM 729 CB SER A 93 -8.209 30.156 -3.428 1.00 0.00 C ATOM 730 OG SER A 93 -9.546 29.682 -3.533 1.00 0.00 O ATOM 0 H SER A 93 -7.731 29.066 -5.632 1.00 0.00 H new ATOM 0 HA SER A 93 -8.553 31.721 -4.913 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.528 29.315 -3.297 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.109 30.788 -2.546 1.00 0.00 H new ATOM 0 HG SER A 93 -9.778 29.177 -2.726 1.00 0.00 H new ATOM 736 N ASP A 94 -5.350 31.053 -4.724 1.00 0.00 N ATOM 737 CA ASP A 94 -3.982 31.407 -4.334 1.00 0.00 C ATOM 738 C ASP A 94 -2.982 30.828 -5.375 1.00 0.00 C ATOM 739 O ASP A 94 -2.806 29.608 -5.465 1.00 0.00 O ATOM 740 CB ASP A 94 -3.666 30.835 -2.939 1.00 0.00 C ATOM 741 CG ASP A 94 -4.399 31.581 -1.811 1.00 0.00 C ATOM 742 OD1 ASP A 94 -3.982 32.714 -1.469 1.00 0.00 O ATOM 743 OD2 ASP A 94 -5.360 31.021 -1.226 1.00 0.00 O ATOM 0 H ASP A 94 -5.363 30.216 -5.306 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.888 32.492 -4.301 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.943 29.781 -2.912 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.591 30.887 -2.765 1.00 0.00 H new ATOM 748 N PRO A 95 -2.305 31.668 -6.178 1.00 0.00 N ATOM 749 CA PRO A 95 -1.659 31.262 -7.439 1.00 0.00 C ATOM 750 C PRO A 95 -0.340 30.479 -7.310 1.00 0.00 C ATOM 751 O PRO A 95 0.138 29.928 -8.301 1.00 0.00 O ATOM 752 CB PRO A 95 -1.452 32.573 -8.208 1.00 0.00 C ATOM 753 CG PRO A 95 -1.322 33.604 -7.089 1.00 0.00 C ATOM 754 CD PRO A 95 -2.361 33.114 -6.093 1.00 0.00 C ATOM 0 HA PRO A 95 -2.301 30.542 -7.947 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -0.559 32.539 -8.833 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.293 32.793 -8.866 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.320 33.618 -6.661 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.534 34.615 -7.437 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.135 33.460 -5.084 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.354 33.486 -6.343 1.00 0.00 H new ATOM 762 N TRP A 96 0.277 30.411 -6.129 1.00 0.00 N ATOM 763 CA TRP A 96 1.622 29.837 -5.940 1.00 0.00 C ATOM 764 C TRP A 96 1.724 28.314 -6.164 1.00 0.00 C ATOM 765 O TRP A 96 2.785 27.832 -6.559 1.00 0.00 O ATOM 766 CB TRP A 96 2.105 30.162 -4.519 1.00 0.00 C ATOM 767 CG TRP A 96 1.426 29.377 -3.434 1.00 0.00 C ATOM 768 CD1 TRP A 96 0.145 29.535 -3.040 1.00 0.00 C ATOM 769 CD2 TRP A 96 1.944 28.251 -2.654 1.00 0.00 C ATOM 770 NE1 TRP A 96 -0.165 28.614 -2.058 1.00 0.00 N ATOM 771 CE2 TRP A 96 0.904 27.785 -1.791 1.00 0.00 C ATOM 772 CE3 TRP A 96 3.175 27.563 -2.605 1.00 0.00 C ATOM 773 CZ2 TRP A 96 1.083 26.702 -0.917 1.00 0.00 C ATOM 774 CZ3 TRP A 96 3.365 26.472 -1.734 1.00 0.00 C ATOM 775 CH2 TRP A 96 2.323 26.042 -0.891 1.00 0.00 C ATOM 0 H TRP A 96 -0.142 30.755 -5.265 1.00 0.00 H new ATOM 0 HA TRP A 96 2.248 30.292 -6.708 1.00 0.00 H new ATOM 0 HB2 TRP A 96 3.178 29.980 -4.464 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.951 31.225 -4.331 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -0.538 30.273 -3.434 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -1.069 28.555 -1.590 1.00 0.00 H new ATOM 0 HE3 TRP A 96 3.985 27.878 -3.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 0.278 26.380 -0.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 4.317 25.962 -1.713 1.00 0.00 H new ATOM 0 HH2 TRP A 96 2.477 25.206 -0.225 1.00 0.00 H new ATOM 786 N LEU A 97 0.657 27.548 -5.889 1.00 0.00 N ATOM 787 CA LEU A 97 0.746 26.121 -5.580 1.00 0.00 C ATOM 788 C LEU A 97 1.083 25.283 -6.834 1.00 0.00 C ATOM 789 O LEU A 97 0.596 25.575 -7.931 1.00 0.00 O ATOM 790 CB LEU A 97 -0.561 25.740 -4.832 1.00 0.00 C ATOM 791 CG LEU A 97 -0.437 24.576 -3.823 1.00 0.00 C ATOM 792 CD1 LEU A 97 -1.523 24.634 -2.756 1.00 0.00 C ATOM 793 CD2 LEU A 97 -0.599 23.233 -4.502 1.00 0.00 C ATOM 0 H LEU A 97 -0.297 27.909 -5.876 1.00 0.00 H new ATOM 0 HA LEU A 97 1.582 25.891 -4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.925 26.620 -4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.318 25.478 -5.571 1.00 0.00 H new ATOM 0 HG LEU A 97 0.554 24.682 -3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.401 23.799 -2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.444 25.572 -2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.503 24.573 -3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.506 22.438 -3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.581 23.179 -4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.173 23.114 -5.262 1.00 0.00 H new ATOM 805 N ARG A 98 1.917 24.244 -6.696 1.00 0.00 N ATOM 806 CA ARG A 98 2.352 23.341 -7.790 1.00 0.00 C ATOM 807 C ARG A 98 1.838 21.902 -7.586 1.00 0.00 C ATOM 808 O ARG A 98 1.760 21.420 -6.458 1.00 0.00 O ATOM 809 CB ARG A 98 3.887 23.386 -7.922 1.00 0.00 C ATOM 810 CG ARG A 98 4.389 24.802 -8.261 1.00 0.00 C ATOM 811 CD ARG A 98 5.895 24.855 -8.546 1.00 0.00 C ATOM 812 NE ARG A 98 6.712 24.587 -7.344 1.00 0.00 N ATOM 813 CZ ARG A 98 8.031 24.659 -7.266 1.00 0.00 C ATOM 814 NH1 ARG A 98 8.765 25.008 -8.287 1.00 0.00 N ATOM 815 NH2 ARG A 98 8.644 24.380 -6.151 1.00 0.00 N ATOM 0 H ARG A 98 2.325 23.994 -5.795 1.00 0.00 H new ATOM 0 HA ARG A 98 1.912 23.693 -8.723 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.342 23.052 -6.990 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.206 22.691 -8.699 1.00 0.00 H new ATOM 0 HG2 ARG A 98 3.848 25.174 -9.131 1.00 0.00 H new ATOM 0 HG3 ARG A 98 4.159 25.471 -7.432 1.00 0.00 H new ATOM 0 HD2 ARG A 98 6.141 24.125 -9.318 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.151 25.837 -8.943 1.00 0.00 H new ATOM 0 HE ARG A 98 6.212 24.322 -6.495 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.324 25.235 -9.178 1.00 0.00 H new ATOM 0 HH12 ARG A 98 9.780 25.054 -8.194 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.107 24.103 -5.329 1.00 0.00 H new ATOM 0 HH22 ARG A 98 9.661 24.438 -6.100 1.00 0.00 H new ATOM 829 N LEU A 99 1.456 21.238 -8.681 1.00 0.00 N ATOM 830 CA LEU A 99 0.791 19.925 -8.684 1.00 0.00 C ATOM 831 C LEU A 99 1.842 18.791 -8.743 1.00 0.00 C ATOM 832 O LEU A 99 2.595 18.697 -9.716 1.00 0.00 O ATOM 833 CB LEU A 99 -0.187 19.905 -9.888 1.00 0.00 C ATOM 834 CG LEU A 99 -1.359 18.900 -9.873 1.00 0.00 C ATOM 835 CD1 LEU A 99 -1.990 18.859 -11.265 1.00 0.00 C ATOM 836 CD2 LEU A 99 -0.954 17.486 -9.511 1.00 0.00 C ATOM 0 H LEU A 99 1.604 21.608 -9.620 1.00 0.00 H new ATOM 0 HA LEU A 99 0.226 19.760 -7.767 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.610 20.905 -9.987 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.399 19.716 -10.787 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.050 19.248 -9.106 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.820 18.152 -11.268 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.358 19.851 -11.527 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.243 18.544 -11.994 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.833 16.842 -9.523 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.226 17.120 -10.235 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.511 17.478 -8.515 1.00 0.00 H new ATOM 848 N ASP A 100 1.875 17.907 -7.735 1.00 0.00 N ATOM 849 CA ASP A 100 2.742 16.714 -7.694 1.00 0.00 C ATOM 850 C ASP A 100 1.977 15.469 -7.205 1.00 0.00 C ATOM 851 O ASP A 100 1.447 15.453 -6.092 1.00 0.00 O ATOM 852 CB ASP A 100 3.967 16.979 -6.802 1.00 0.00 C ATOM 853 CG ASP A 100 4.981 17.924 -7.468 1.00 0.00 C ATOM 854 OD1 ASP A 100 5.727 17.465 -8.368 1.00 0.00 O ATOM 855 OD2 ASP A 100 5.075 19.110 -7.066 1.00 0.00 O ATOM 0 H ASP A 100 1.288 18.001 -6.906 1.00 0.00 H new ATOM 0 HA ASP A 100 3.079 16.512 -8.711 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.639 17.410 -5.856 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.455 16.033 -6.568 1.00 0.00 H new ATOM 860 N MET A 101 1.913 14.421 -8.040 1.00 0.00 N ATOM 861 CA MET A 101 1.182 13.166 -7.769 1.00 0.00 C ATOM 862 C MET A 101 1.827 11.949 -8.459 1.00 0.00 C ATOM 863 O MET A 101 1.195 11.183 -9.191 1.00 0.00 O ATOM 864 CB MET A 101 -0.340 13.328 -8.013 1.00 0.00 C ATOM 865 CG MET A 101 -0.793 14.263 -9.135 1.00 0.00 C ATOM 866 SD MET A 101 -0.660 13.642 -10.831 1.00 0.00 S ATOM 867 CE MET A 101 -1.932 14.682 -11.608 1.00 0.00 C ATOM 0 H MET A 101 2.379 14.419 -8.947 1.00 0.00 H new ATOM 0 HA MET A 101 1.274 12.945 -6.706 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.753 12.340 -8.215 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.791 13.678 -7.085 1.00 0.00 H new ATOM 0 HG2 MET A 101 -1.834 14.530 -8.953 1.00 0.00 H new ATOM 0 HG3 MET A 101 -0.211 15.182 -9.065 1.00 0.00 H new ATOM 0 HE1 MET A 101 -2.138 14.315 -12.613 1.00 0.00 H new ATOM 0 HE2 MET A 101 -2.845 14.645 -11.014 1.00 0.00 H new ATOM 0 HE3 MET A 101 -1.577 15.711 -11.663 1.00 0.00 H new ATOM 877 N SER A 102 3.119 11.764 -8.180 1.00 0.00 N ATOM 878 CA SER A 102 3.861 10.529 -8.469 1.00 0.00 C ATOM 879 C SER A 102 3.321 9.330 -7.678 1.00 0.00 C ATOM 880 O SER A 102 2.644 9.483 -6.661 1.00 0.00 O ATOM 881 CB SER A 102 5.343 10.744 -8.138 1.00 0.00 C ATOM 882 OG SER A 102 5.501 10.982 -6.744 1.00 0.00 O ATOM 0 H SER A 102 3.693 12.482 -7.738 1.00 0.00 H new ATOM 0 HA SER A 102 3.736 10.302 -9.528 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.921 9.868 -8.434 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.732 11.589 -8.706 1.00 0.00 H new ATOM 0 HG SER A 102 6.450 11.117 -6.541 1.00 0.00 H new ATOM 888 N ASP A 103 3.678 8.116 -8.101 1.00 0.00 N ATOM 889 CA ASP A 103 3.368 6.870 -7.382 1.00 0.00 C ATOM 890 C ASP A 103 3.774 6.971 -5.901 1.00 0.00 C ATOM 891 O ASP A 103 2.976 6.678 -5.007 1.00 0.00 O ATOM 892 CB ASP A 103 4.107 5.708 -8.068 1.00 0.00 C ATOM 893 CG ASP A 103 3.582 5.434 -9.486 1.00 0.00 C ATOM 894 OD1 ASP A 103 3.686 6.319 -10.368 1.00 0.00 O ATOM 895 OD2 ASP A 103 2.983 4.361 -9.728 1.00 0.00 O ATOM 0 H ASP A 103 4.198 7.964 -8.965 1.00 0.00 H new ATOM 0 HA ASP A 103 2.293 6.693 -7.413 1.00 0.00 H new ATOM 0 HB2 ASP A 103 5.172 5.936 -8.116 1.00 0.00 H new ATOM 0 HB3 ASP A 103 4.001 4.807 -7.464 1.00 0.00 H new ATOM 900 N LYS A 104 4.971 7.519 -5.643 1.00 0.00 N ATOM 901 CA LYS A 104 5.482 7.804 -4.295 1.00 0.00 C ATOM 902 C LYS A 104 4.598 8.797 -3.537 1.00 0.00 C ATOM 903 O LYS A 104 4.269 8.532 -2.387 1.00 0.00 O ATOM 904 CB LYS A 104 6.937 8.289 -4.408 1.00 0.00 C ATOM 905 CG LYS A 104 7.652 8.311 -3.048 1.00 0.00 C ATOM 906 CD LYS A 104 9.133 8.685 -3.213 1.00 0.00 C ATOM 907 CE LYS A 104 9.845 8.676 -1.852 1.00 0.00 C ATOM 908 NZ LYS A 104 11.293 9.008 -1.987 1.00 0.00 N ATOM 0 H LYS A 104 5.624 7.782 -6.381 1.00 0.00 H new ATOM 0 HA LYS A 104 5.457 6.888 -3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.482 7.639 -5.092 1.00 0.00 H new ATOM 0 HB3 LYS A 104 6.952 9.290 -4.840 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.163 9.027 -2.387 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.570 7.333 -2.574 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.619 7.981 -3.889 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.216 9.672 -3.667 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.367 9.394 -1.186 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.738 7.694 -1.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.742 8.993 -1.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.754 8.308 -2.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.395 9.955 -2.404 1.00 0.00 H new ATOM 922 N ALA A 105 4.149 9.886 -4.165 1.00 0.00 N ATOM 923 CA ALA A 105 3.245 10.854 -3.531 1.00 0.00 C ATOM 924 C ALA A 105 1.914 10.220 -3.102 1.00 0.00 C ATOM 925 O ALA A 105 1.433 10.499 -2.001 1.00 0.00 O ATOM 926 CB ALA A 105 3.050 12.038 -4.485 1.00 0.00 C ATOM 0 H ALA A 105 4.400 10.123 -5.125 1.00 0.00 H new ATOM 0 HA ALA A 105 3.697 11.212 -2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.380 12.767 -4.028 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.014 12.506 -4.685 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.617 11.684 -5.421 1.00 0.00 H new ATOM 932 N ILE A 106 1.355 9.319 -3.920 1.00 0.00 N ATOM 933 CA ILE A 106 0.104 8.620 -3.576 1.00 0.00 C ATOM 934 C ILE A 106 0.348 7.644 -2.433 1.00 0.00 C ATOM 935 O ILE A 106 -0.384 7.685 -1.451 1.00 0.00 O ATOM 936 CB ILE A 106 -0.554 7.957 -4.813 1.00 0.00 C ATOM 937 CG1 ILE A 106 -1.357 9.000 -5.613 1.00 0.00 C ATOM 938 CG2 ILE A 106 -1.543 6.833 -4.433 1.00 0.00 C ATOM 939 CD1 ILE A 106 -0.510 10.109 -6.226 1.00 0.00 C ATOM 0 H ILE A 106 1.746 9.055 -4.824 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.620 9.356 -3.228 1.00 0.00 H new ATOM 0 HB ILE A 106 0.266 7.538 -5.396 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.899 8.491 -6.410 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.102 9.449 -4.956 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -1.973 6.405 -5.339 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.016 6.056 -3.880 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.339 7.244 -3.812 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.154 10.799 -6.771 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.012 10.647 -5.435 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.218 9.674 -6.911 1.00 0.00 H new ATOM 951 N PHE A 107 1.391 6.819 -2.505 1.00 0.00 N ATOM 952 CA PHE A 107 1.644 5.827 -1.448 1.00 0.00 C ATOM 953 C PHE A 107 2.088 6.473 -0.115 1.00 0.00 C ATOM 954 O PHE A 107 1.810 5.925 0.952 1.00 0.00 O ATOM 955 CB PHE A 107 2.635 4.752 -1.914 1.00 0.00 C ATOM 956 CG PHE A 107 2.315 4.083 -3.238 1.00 0.00 C ATOM 957 CD1 PHE A 107 0.989 3.752 -3.567 1.00 0.00 C ATOM 958 CD2 PHE A 107 3.355 3.745 -4.126 1.00 0.00 C ATOM 959 CE1 PHE A 107 0.697 3.114 -4.780 1.00 0.00 C ATOM 960 CE2 PHE A 107 3.065 3.091 -5.337 1.00 0.00 C ATOM 961 CZ PHE A 107 1.735 2.779 -5.669 1.00 0.00 C ATOM 0 H PHE A 107 2.067 6.812 -3.268 1.00 0.00 H new ATOM 0 HA PHE A 107 0.691 5.337 -1.248 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.624 5.205 -1.988 1.00 0.00 H new ATOM 0 HB3 PHE A 107 2.694 3.982 -1.145 1.00 0.00 H new ATOM 0 HD1 PHE A 107 0.190 3.991 -2.881 1.00 0.00 H new ATOM 0 HD2 PHE A 107 4.377 3.989 -3.876 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.326 2.879 -5.033 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.865 2.828 -6.013 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.511 2.284 -6.602 1.00 0.00 H new ATOM 971 N ARG A 108 2.718 7.658 -0.149 1.00 0.00 N ATOM 972 CA ARG A 108 3.059 8.461 1.040 1.00 0.00 C ATOM 973 C ARG A 108 1.831 9.127 1.677 1.00 0.00 C ATOM 974 O ARG A 108 1.706 9.104 2.901 1.00 0.00 O ATOM 975 CB ARG A 108 4.125 9.507 0.661 1.00 0.00 C ATOM 976 CG ARG A 108 5.539 8.920 0.482 1.00 0.00 C ATOM 977 CD ARG A 108 6.216 8.485 1.790 1.00 0.00 C ATOM 978 NE ARG A 108 6.504 9.632 2.677 1.00 0.00 N ATOM 979 CZ ARG A 108 6.982 9.578 3.910 1.00 0.00 C ATOM 980 NH1 ARG A 108 7.258 8.447 4.500 1.00 0.00 N ATOM 981 NH2 ARG A 108 7.196 10.673 4.582 1.00 0.00 N ATOM 0 H ARG A 108 3.012 8.096 -1.022 1.00 0.00 H new ATOM 0 HA ARG A 108 3.461 7.787 1.796 1.00 0.00 H new ATOM 0 HB2 ARG A 108 3.826 9.997 -0.265 1.00 0.00 H new ATOM 0 HB3 ARG A 108 4.156 10.276 1.433 1.00 0.00 H new ATOM 0 HG2 ARG A 108 5.480 8.060 -0.186 1.00 0.00 H new ATOM 0 HG3 ARG A 108 6.168 9.663 -0.009 1.00 0.00 H new ATOM 0 HD2 ARG A 108 5.573 7.777 2.312 1.00 0.00 H new ATOM 0 HD3 ARG A 108 7.145 7.963 1.560 1.00 0.00 H new ATOM 0 HE ARG A 108 6.315 10.561 2.300 1.00 0.00 H new ATOM 0 HH11 ARG A 108 7.106 7.566 4.009 1.00 0.00 H new ATOM 0 HH12 ARG A 108 7.625 8.445 5.452 1.00 0.00 H new ATOM 0 HH21 ARG A 108 6.995 11.579 4.158 1.00 0.00 H new ATOM 0 HH22 ARG A 108 7.564 10.625 5.532 1.00 0.00 H new ATOM 995 N ARG A 109 0.911 9.681 0.871 1.00 0.00 N ATOM 996 CA ARG A 109 -0.358 10.261 1.375 1.00 0.00 C ATOM 997 C ARG A 109 -1.368 9.200 1.825 1.00 0.00 C ATOM 998 O ARG A 109 -2.068 9.395 2.818 1.00 0.00 O ATOM 999 CB ARG A 109 -0.982 11.164 0.298 1.00 0.00 C ATOM 1000 CG ARG A 109 -0.255 12.514 0.210 1.00 0.00 C ATOM 1001 CD ARG A 109 -0.768 13.334 -0.979 1.00 0.00 C ATOM 1002 NE ARG A 109 -0.312 14.739 -0.911 1.00 0.00 N ATOM 1003 CZ ARG A 109 0.882 15.230 -1.195 1.00 0.00 C ATOM 1004 NH1 ARG A 109 1.872 14.474 -1.581 1.00 0.00 N ATOM 1005 NH2 ARG A 109 1.106 16.508 -1.087 1.00 0.00 N ATOM 0 H ARG A 109 1.018 9.743 -0.141 1.00 0.00 H new ATOM 0 HA ARG A 109 -0.110 10.849 2.259 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -0.940 10.662 -0.669 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -2.035 11.330 0.525 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -0.404 13.073 1.134 1.00 0.00 H new ATOM 0 HG3 ARG A 109 0.817 12.348 0.107 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -0.421 12.883 -1.909 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -1.857 13.305 -0.998 1.00 0.00 H new ATOM 0 HE ARG A 109 -1.009 15.418 -0.605 1.00 0.00 H new ATOM 0 HH11 ARG A 109 1.739 13.467 -1.673 1.00 0.00 H new ATOM 0 HH12 ARG A 109 2.779 14.890 -1.791 1.00 0.00 H new ATOM 0 HH21 ARG A 109 0.359 17.133 -0.783 1.00 0.00 H new ATOM 0 HH22 ARG A 109 2.028 16.884 -1.307 1.00 0.00 H new ATOM 1019 N TYR A 110 -1.423 8.083 1.100 1.00 0.00 N ATOM 1020 CA TYR A 110 -2.452 7.044 1.193 1.00 0.00 C ATOM 1021 C TYR A 110 -1.796 5.643 1.203 1.00 0.00 C ATOM 1022 O TYR A 110 -1.693 4.986 0.161 1.00 0.00 O ATOM 1023 CB TYR A 110 -3.435 7.240 0.024 1.00 0.00 C ATOM 1024 CG TYR A 110 -3.980 8.647 -0.140 1.00 0.00 C ATOM 1025 CD1 TYR A 110 -4.837 9.188 0.836 1.00 0.00 C ATOM 1026 CD2 TYR A 110 -3.630 9.413 -1.269 1.00 0.00 C ATOM 1027 CE1 TYR A 110 -5.366 10.485 0.671 1.00 0.00 C ATOM 1028 CE2 TYR A 110 -4.160 10.708 -1.442 1.00 0.00 C ATOM 1029 CZ TYR A 110 -5.034 11.245 -0.472 1.00 0.00 C ATOM 1030 OH TYR A 110 -5.556 12.495 -0.621 1.00 0.00 O ATOM 0 H TYR A 110 -0.717 7.866 0.397 1.00 0.00 H new ATOM 0 HA TYR A 110 -3.010 7.123 2.126 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -2.935 6.952 -0.901 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -4.274 6.557 0.159 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -5.090 8.610 1.712 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -2.953 9.007 -2.005 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -6.026 10.898 1.420 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -3.898 11.288 -2.315 1.00 0.00 H new ATOM 0 HH TYR A 110 -5.231 12.888 -1.458 1.00 0.00 H new ATOM 1040 N PRO A 111 -1.319 5.163 2.370 1.00 0.00 N ATOM 1041 CA PRO A 111 -0.468 3.969 2.464 1.00 0.00 C ATOM 1042 C PRO A 111 -1.177 2.647 2.126 1.00 0.00 C ATOM 1043 O PRO A 111 -0.508 1.634 1.919 1.00 0.00 O ATOM 1044 CB PRO A 111 0.088 3.982 3.893 1.00 0.00 C ATOM 1045 CG PRO A 111 -0.974 4.738 4.684 1.00 0.00 C ATOM 1046 CD PRO A 111 -1.452 5.785 3.681 1.00 0.00 C ATOM 0 HA PRO A 111 0.319 4.014 1.711 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.231 2.972 4.277 1.00 0.00 H new ATOM 0 HB3 PRO A 111 1.056 4.481 3.942 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.784 4.083 5.004 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -0.561 5.196 5.583 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -2.486 6.071 3.876 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -0.852 6.693 3.747 1.00 0.00 H new ATOM 1054 N HIS A 112 -2.512 2.642 2.025 1.00 0.00 N ATOM 1055 CA HIS A 112 -3.305 1.474 1.626 1.00 0.00 C ATOM 1056 C HIS A 112 -3.323 1.213 0.103 1.00 0.00 C ATOM 1057 O HIS A 112 -3.826 0.164 -0.311 1.00 0.00 O ATOM 1058 CB HIS A 112 -4.714 1.600 2.222 1.00 0.00 C ATOM 1059 CG HIS A 112 -5.561 2.687 1.611 1.00 0.00 C ATOM 1060 ND1 HIS A 112 -5.331 4.064 1.723 1.00 0.00 N ATOM 1061 CD2 HIS A 112 -6.638 2.480 0.801 1.00 0.00 C ATOM 1062 CE1 HIS A 112 -6.287 4.647 0.984 1.00 0.00 C ATOM 1063 NE2 HIS A 112 -7.094 3.726 0.436 1.00 0.00 N ATOM 0 H HIS A 112 -3.081 3.465 2.222 1.00 0.00 H new ATOM 0 HA HIS A 112 -2.819 0.587 2.033 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -5.230 0.647 2.105 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -4.626 1.785 3.293 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -7.051 1.527 0.505 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -6.393 5.713 0.849 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -7.906 3.917 -0.151 1.00 0.00 H new ATOM 1071 N LEU A 113 -2.780 2.117 -0.733 1.00 0.00 N ATOM 1072 CA LEU A 113 -2.736 1.928 -2.196 1.00 0.00 C ATOM 1073 C LEU A 113 -1.539 1.071 -2.666 1.00 0.00 C ATOM 1074 O LEU A 113 -1.688 0.351 -3.660 1.00 0.00 O ATOM 1075 CB LEU A 113 -2.798 3.279 -2.953 1.00 0.00 C ATOM 1076 CG LEU A 113 -4.188 3.935 -3.116 1.00 0.00 C ATOM 1077 CD1 LEU A 113 -5.202 3.065 -3.856 1.00 0.00 C ATOM 1078 CD2 LEU A 113 -4.810 4.266 -1.778 1.00 0.00 C ATOM 0 H LEU A 113 -2.362 2.992 -0.417 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.632 1.362 -2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.150 3.986 -2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.377 3.129 -3.947 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.984 4.832 -3.701 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -6.151 3.595 -3.929 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.831 2.845 -4.857 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.348 2.133 -3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.786 4.726 -1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.928 3.352 -1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.165 4.959 -1.238 1.00 0.00 H new ATOM 1090 N ARG A 114 -0.387 1.106 -1.969 1.00 0.00 N ATOM 1091 CA ARG A 114 0.723 0.158 -2.187 1.00 0.00 C ATOM 1092 C ARG A 114 0.356 -1.268 -1.739 1.00 0.00 C ATOM 1093 O ARG A 114 -0.097 -1.456 -0.583 1.00 0.00 O ATOM 1094 CB ARG A 114 2.007 0.678 -1.519 1.00 0.00 C ATOM 1095 CG ARG A 114 3.171 -0.320 -1.629 1.00 0.00 C ATOM 1096 CD ARG A 114 4.511 0.301 -1.212 1.00 0.00 C ATOM 1097 NE ARG A 114 5.089 1.137 -2.285 1.00 0.00 N ATOM 1098 CZ ARG A 114 6.243 1.775 -2.242 1.00 0.00 C ATOM 1099 NH1 ARG A 114 6.960 1.835 -1.158 1.00 0.00 N ATOM 1100 NH2 ARG A 114 6.709 2.367 -3.302 1.00 0.00 N ATOM 1101 OXT ARG A 114 0.529 -2.210 -2.550 1.00 0.00 O ATOM 0 H ARG A 114 -0.200 1.793 -1.238 1.00 0.00 H new ATOM 0 HA ARG A 114 0.914 0.092 -3.258 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.297 1.622 -1.981 1.00 0.00 H new ATOM 0 HB3 ARG A 114 1.808 0.885 -0.468 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.964 -1.187 -1.002 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.243 -0.679 -2.656 1.00 0.00 H new ATOM 0 HD2 ARG A 114 4.367 0.907 -0.317 1.00 0.00 H new ATOM 0 HD3 ARG A 114 5.213 -0.491 -0.951 1.00 0.00 H new ATOM 0 HE ARG A 114 4.543 1.230 -3.142 1.00 0.00 H new ATOM 0 HH11 ARG A 114 6.634 1.380 -0.305 1.00 0.00 H new ATOM 0 HH12 ARG A 114 7.848 2.337 -1.161 1.00 0.00 H new ATOM 0 HH21 ARG A 114 6.182 2.340 -4.175 1.00 0.00 H new ATOM 0 HH22 ARG A 114 7.602 2.858 -3.261 1.00 0.00 H new