USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 765 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 CYS SG : rot -86:sc= -2.93 USER MOD Set 1.2: A 132 ASN : amide:sc= -3.37 K(o=-6.3,f=-17!) USER MOD Set 2.1: A 26 THR OG1 : rot 111:sc= 0.555 USER MOD Set 2.2: A 29 HIS : no HE2:sc= -1.17 K(o=-0.61,f=-6.4!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.294 K(o=-0.29,f=-2.5!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.218 K(o=-0.22,f=-0.87) USER MOD Single : A 66 CYS SG : rot -166:sc= 0.025 USER MOD Single : A 72 THR OG1 : rot 166:sc= 0.333 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.322 K(o=-0.32,f=-1.1) USER MOD Single : A 83 GLN : amide:sc= -0.551 K(o=-0.55,f=-1.4) USER MOD Single : A 87 MET CE :methyl -160:sc= -6.68! (180deg=-9.32!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot -26:sc= -1.59! USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= -0.735 USER MOD Single : A 102 MET CE :methyl -167:sc= -8.37! (180deg=-10!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 102:sc= -1.96! USER MOD Single : A 107 MET CE :methyl 166:sc= -0.157 (180deg=-0.383) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 LYS NZ :NH3+ 148:sc= -1.41! (180deg=-2.48!) USER MOD Single : A 131 ASN :FLIP amide:sc= -0.676 F(o=-1.6,f=-0.68) USER MOD Single : A 134 SER OG : rot -130:sc= -0.265 USER MOD ----------------------------------------------------------------- ATOM 205 N PHE A 16 16.232 0.001 -6.079 1.00 0.00 N ATOM 206 CA PHE A 16 14.800 0.052 -5.837 1.00 0.00 C ATOM 207 C PHE A 16 14.214 1.389 -6.295 1.00 0.00 C ATOM 208 O PHE A 16 14.953 2.329 -6.583 1.00 0.00 O ATOM 209 CB PHE A 16 14.596 -0.092 -4.328 1.00 0.00 C ATOM 210 CG PHE A 16 14.919 -1.485 -3.785 1.00 0.00 C ATOM 211 CD1 PHE A 16 16.169 -2.000 -3.934 1.00 0.00 C ATOM 212 CD2 PHE A 16 13.956 -2.210 -3.155 1.00 0.00 C ATOM 213 CE1 PHE A 16 16.469 -3.293 -3.430 1.00 0.00 C ATOM 214 CE2 PHE A 16 14.256 -3.503 -2.652 1.00 0.00 C ATOM 215 CZ PHE A 16 15.506 -4.018 -2.800 1.00 0.00 C ATOM 0 HA PHE A 16 14.300 -0.742 -6.392 1.00 0.00 H new ATOM 0 HB2 PHE A 16 15.221 0.640 -3.816 1.00 0.00 H new ATOM 0 HB3 PHE A 16 13.561 0.149 -4.087 1.00 0.00 H new ATOM 0 HD1 PHE A 16 16.933 -1.425 -4.436 1.00 0.00 H new ATOM 0 HD2 PHE A 16 12.963 -1.802 -3.037 1.00 0.00 H new ATOM 0 HE1 PHE A 16 17.462 -3.701 -3.547 1.00 0.00 H new ATOM 0 HE2 PHE A 16 13.491 -4.078 -2.151 1.00 0.00 H new ATOM 0 HZ PHE A 16 15.734 -5.002 -2.418 1.00 0.00 H new ATOM 225 N VAL A 17 12.891 1.431 -6.347 1.00 0.00 N ATOM 226 CA VAL A 17 12.196 2.637 -6.765 1.00 0.00 C ATOM 227 C VAL A 17 11.497 3.262 -5.556 1.00 0.00 C ATOM 228 O VAL A 17 11.716 2.841 -4.422 1.00 0.00 O ATOM 229 CB VAL A 17 11.235 2.317 -7.912 1.00 0.00 C ATOM 230 CG1 VAL A 17 11.883 2.607 -9.267 1.00 0.00 C ATOM 231 CG2 VAL A 17 10.752 0.867 -7.834 1.00 0.00 C ATOM 0 H VAL A 17 12.282 0.649 -6.107 1.00 0.00 H new ATOM 0 HA VAL A 17 12.904 3.372 -7.148 1.00 0.00 H new ATOM 0 HB VAL A 17 10.365 2.966 -7.811 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.179 2.371 -10.065 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.154 3.661 -9.322 1.00 0.00 H new ATOM 0 HG13 VAL A 17 12.778 1.996 -9.381 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.070 0.666 -8.660 1.00 0.00 H new ATOM 0 HG22 VAL A 17 11.608 0.195 -7.897 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.233 0.707 -6.889 1.00 0.00 H new ATOM 241 N LYS A 18 10.671 4.258 -5.841 1.00 0.00 N ATOM 242 CA LYS A 18 9.938 4.946 -4.791 1.00 0.00 C ATOM 243 C LYS A 18 8.464 5.047 -5.186 1.00 0.00 C ATOM 244 O LYS A 18 8.081 4.638 -6.281 1.00 0.00 O ATOM 245 CB LYS A 18 10.586 6.297 -4.482 1.00 0.00 C ATOM 246 CG LYS A 18 12.061 6.126 -4.111 1.00 0.00 C ATOM 247 CD LYS A 18 12.339 6.668 -2.707 1.00 0.00 C ATOM 248 CE LYS A 18 13.823 6.994 -2.530 1.00 0.00 C ATOM 249 NZ LYS A 18 14.073 7.558 -1.185 1.00 0.00 N ATOM 0 H LYS A 18 10.493 4.605 -6.783 1.00 0.00 H new ATOM 0 HA LYS A 18 9.981 4.378 -3.862 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.499 6.953 -5.348 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.055 6.780 -3.662 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.332 5.071 -4.158 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.685 6.648 -4.836 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.743 7.564 -2.534 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.033 5.933 -1.962 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.419 6.092 -2.669 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.139 7.705 -3.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.085 7.774 -1.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.519 8.430 -1.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.791 6.867 -0.461 1.00 0.00 H new ATOM 263 N VAL A 19 7.675 5.594 -4.272 1.00 0.00 N ATOM 264 CA VAL A 19 6.251 5.754 -4.511 1.00 0.00 C ATOM 265 C VAL A 19 6.031 6.890 -5.512 1.00 0.00 C ATOM 266 O VAL A 19 5.272 6.742 -6.468 1.00 0.00 O ATOM 267 CB VAL A 19 5.520 5.974 -3.186 1.00 0.00 C ATOM 268 CG1 VAL A 19 4.039 6.282 -3.421 1.00 0.00 C ATOM 269 CG2 VAL A 19 5.688 4.768 -2.259 1.00 0.00 C ATOM 0 H VAL A 19 7.996 5.932 -3.365 1.00 0.00 H new ATOM 0 HA VAL A 19 5.833 4.848 -4.951 1.00 0.00 H new ATOM 0 HB VAL A 19 5.969 6.838 -2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.542 6.434 -2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.946 7.185 -4.025 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.572 5.447 -3.943 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.158 4.951 -1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.279 3.880 -2.740 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.747 4.613 -2.052 1.00 0.00 H new ATOM 279 N GLU A 20 6.709 8.000 -5.257 1.00 0.00 N ATOM 280 CA GLU A 20 6.597 9.161 -6.123 1.00 0.00 C ATOM 281 C GLU A 20 7.245 8.876 -7.480 1.00 0.00 C ATOM 282 O GLU A 20 7.138 9.680 -8.404 1.00 0.00 O ATOM 283 CB GLU A 20 7.218 10.396 -5.468 1.00 0.00 C ATOM 284 CG GLU A 20 8.745 10.298 -5.449 1.00 0.00 C ATOM 285 CD GLU A 20 9.371 11.587 -4.915 1.00 0.00 C ATOM 286 OE1 GLU A 20 9.080 12.648 -5.509 1.00 0.00 O ATOM 287 OE2 GLU A 20 10.127 11.483 -3.924 1.00 0.00 O ATOM 0 H GLU A 20 7.338 8.119 -4.463 1.00 0.00 H new ATOM 0 HA GLU A 20 5.539 9.369 -6.284 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.914 11.291 -6.011 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.844 10.499 -4.449 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.051 9.456 -4.828 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.113 10.101 -6.456 1.00 0.00 H new ATOM 294 N GLN A 21 7.903 7.728 -7.556 1.00 0.00 N ATOM 295 CA GLN A 21 8.568 7.327 -8.783 1.00 0.00 C ATOM 296 C GLN A 21 7.634 6.465 -9.636 1.00 0.00 C ATOM 297 O GLN A 21 7.928 6.188 -10.798 1.00 0.00 O ATOM 298 CB GLN A 21 9.874 6.588 -8.483 1.00 0.00 C ATOM 299 CG GLN A 21 11.086 7.434 -8.879 1.00 0.00 C ATOM 300 CD GLN A 21 11.838 6.801 -10.051 1.00 0.00 C ATOM 301 OE1 GLN A 21 11.381 5.861 -10.680 1.00 0.00 O ATOM 302 NE2 GLN A 21 13.014 7.366 -10.308 1.00 0.00 N ATOM 0 H GLN A 21 7.989 7.063 -6.787 1.00 0.00 H new ATOM 0 HA GLN A 21 8.818 8.225 -9.347 1.00 0.00 H new ATOM 0 HB2 GLN A 21 9.925 6.348 -7.421 1.00 0.00 H new ATOM 0 HB3 GLN A 21 9.894 5.642 -9.025 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.760 8.438 -9.151 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.756 7.537 -8.026 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.337 8.151 -9.742 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.593 7.015 -11.071 1.00 0.00 H new ATOM 311 N LEU A 22 6.528 6.066 -9.026 1.00 0.00 N ATOM 312 CA LEU A 22 5.549 5.242 -9.714 1.00 0.00 C ATOM 313 C LEU A 22 4.916 6.050 -10.848 1.00 0.00 C ATOM 314 O LEU A 22 4.950 7.279 -10.833 1.00 0.00 O ATOM 315 CB LEU A 22 4.533 4.675 -8.721 1.00 0.00 C ATOM 316 CG LEU A 22 5.115 3.936 -7.514 1.00 0.00 C ATOM 317 CD1 LEU A 22 4.008 3.501 -6.551 1.00 0.00 C ATOM 318 CD2 LEU A 22 5.983 2.757 -7.959 1.00 0.00 C ATOM 0 H LEU A 22 6.288 6.298 -8.062 1.00 0.00 H new ATOM 0 HA LEU A 22 6.031 4.377 -10.169 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.915 5.495 -8.356 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.873 3.992 -9.257 1.00 0.00 H new ATOM 0 HG LEU A 22 5.762 4.625 -6.971 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.449 2.978 -5.702 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.469 4.379 -6.196 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.317 2.835 -7.068 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.384 2.249 -7.082 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.379 2.059 -8.538 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.805 3.122 -8.574 1.00 0.00 H new ATOM 330 N LYS A 23 4.352 5.326 -11.804 1.00 0.00 N ATOM 331 CA LYS A 23 3.711 5.961 -12.944 1.00 0.00 C ATOM 332 C LYS A 23 2.868 4.926 -13.691 1.00 0.00 C ATOM 333 O LYS A 23 3.017 3.724 -13.473 1.00 0.00 O ATOM 334 CB LYS A 23 4.751 6.657 -13.824 1.00 0.00 C ATOM 335 CG LYS A 23 4.761 8.166 -13.571 1.00 0.00 C ATOM 336 CD LYS A 23 5.347 8.918 -14.768 1.00 0.00 C ATOM 337 CE LYS A 23 6.867 9.047 -14.644 1.00 0.00 C ATOM 338 NZ LYS A 23 7.484 9.216 -15.978 1.00 0.00 N ATOM 0 H LYS A 23 4.325 4.306 -11.813 1.00 0.00 H new ATOM 0 HA LYS A 23 3.032 6.746 -12.611 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.739 6.244 -13.621 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.533 6.462 -14.874 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.746 8.513 -13.380 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.346 8.385 -12.678 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.097 8.393 -15.690 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.899 9.909 -14.834 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.115 9.899 -14.012 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.275 8.160 -14.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.515 9.302 -15.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.263 8.390 -16.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.108 10.075 -16.428 1.00 0.00 H new ATOM 352 N PRO A 24 1.977 5.443 -14.579 1.00 0.00 N ATOM 353 CA PRO A 24 1.110 4.577 -15.359 1.00 0.00 C ATOM 354 C PRO A 24 1.888 3.892 -16.485 1.00 0.00 C ATOM 355 O PRO A 24 2.780 4.492 -17.082 1.00 0.00 O ATOM 356 CB PRO A 24 0.003 5.485 -15.870 1.00 0.00 C ATOM 357 CG PRO A 24 0.538 6.903 -15.747 1.00 0.00 C ATOM 358 CD PRO A 24 1.774 6.860 -14.863 1.00 0.00 C ATOM 0 HA PRO A 24 0.696 3.758 -14.771 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.248 5.251 -16.904 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.908 5.359 -15.284 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.785 7.304 -16.730 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.217 7.560 -15.315 1.00 0.00 H new ATOM 0 HD2 PRO A 24 2.638 7.290 -15.369 1.00 0.00 H new ATOM 0 HD3 PRO A 24 1.625 7.430 -13.946 1.00 0.00 H new ATOM 366 N GLY A 25 1.521 2.645 -16.740 1.00 0.00 N ATOM 367 CA GLY A 25 2.173 1.872 -17.783 1.00 0.00 C ATOM 368 C GLY A 25 3.494 1.282 -17.284 1.00 0.00 C ATOM 369 O GLY A 25 4.501 1.322 -17.988 1.00 0.00 O ATOM 0 H GLY A 25 0.780 2.151 -16.242 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.513 1.069 -18.112 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.358 2.507 -18.649 1.00 0.00 H new ATOM 373 N THR A 26 3.446 0.747 -16.073 1.00 0.00 N ATOM 374 CA THR A 26 4.626 0.150 -15.471 1.00 0.00 C ATOM 375 C THR A 26 4.259 -1.155 -14.760 1.00 0.00 C ATOM 376 O THR A 26 3.104 -1.361 -14.391 1.00 0.00 O ATOM 377 CB THR A 26 5.262 1.188 -14.545 1.00 0.00 C ATOM 378 OG1 THR A 26 4.287 1.387 -13.525 1.00 0.00 O ATOM 379 CG2 THR A 26 5.393 2.561 -15.208 1.00 0.00 C ATOM 0 H THR A 26 2.608 0.714 -15.492 1.00 0.00 H new ATOM 0 HA THR A 26 5.361 -0.124 -16.228 1.00 0.00 H new ATOM 0 HB THR A 26 6.246 0.840 -14.232 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.617 1.015 -12.680 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.850 3.261 -14.508 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.017 2.477 -16.098 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.405 2.924 -15.491 1.00 0.00 H new ATOM 387 N THR A 27 5.265 -2.001 -14.590 1.00 0.00 N ATOM 388 CA THR A 27 5.063 -3.279 -13.930 1.00 0.00 C ATOM 389 C THR A 27 6.333 -3.704 -13.190 1.00 0.00 C ATOM 390 O THR A 27 7.390 -3.100 -13.366 1.00 0.00 O ATOM 391 CB THR A 27 4.608 -4.290 -14.985 1.00 0.00 C ATOM 392 OG1 THR A 27 5.368 -3.950 -16.141 1.00 0.00 O ATOM 393 CG2 THR A 27 3.156 -4.072 -15.416 1.00 0.00 C ATOM 0 H THR A 27 6.222 -1.826 -14.898 1.00 0.00 H new ATOM 0 HA THR A 27 4.287 -3.211 -13.168 1.00 0.00 H new ATOM 0 HB THR A 27 4.723 -5.301 -14.593 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.137 -4.557 -16.875 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.883 -4.815 -16.165 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.501 -4.172 -14.551 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.048 -3.073 -15.839 1.00 0.00 H new ATOM 401 N GLY A 28 6.188 -4.740 -12.377 1.00 0.00 N ATOM 402 CA GLY A 28 7.310 -5.253 -11.610 1.00 0.00 C ATOM 403 C GLY A 28 8.156 -4.110 -11.045 1.00 0.00 C ATOM 404 O GLY A 28 9.055 -3.607 -11.718 1.00 0.00 O ATOM 0 H GLY A 28 5.310 -5.238 -12.233 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.943 -5.876 -10.794 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.928 -5.889 -12.244 1.00 0.00 H new ATOM 408 N HIS A 29 7.838 -3.732 -9.816 1.00 0.00 N ATOM 409 CA HIS A 29 8.557 -2.658 -9.153 1.00 0.00 C ATOM 410 C HIS A 29 9.175 -3.179 -7.854 1.00 0.00 C ATOM 411 O HIS A 29 8.697 -4.158 -7.284 1.00 0.00 O ATOM 412 CB HIS A 29 7.645 -1.449 -8.933 1.00 0.00 C ATOM 413 CG HIS A 29 7.283 -0.713 -10.201 1.00 0.00 C ATOM 414 ND1 HIS A 29 8.091 0.264 -10.757 1.00 0.00 N ATOM 415 CD2 HIS A 29 6.194 -0.822 -11.014 1.00 0.00 C ATOM 416 CE1 HIS A 29 7.503 0.716 -11.855 1.00 0.00 C ATOM 417 NE2 HIS A 29 6.328 0.042 -12.013 1.00 0.00 N ATOM 0 H HIS A 29 7.091 -4.151 -9.262 1.00 0.00 H new ATOM 0 HA HIS A 29 9.372 -2.314 -9.790 1.00 0.00 H new ATOM 0 HB2 HIS A 29 6.729 -1.782 -8.444 1.00 0.00 H new ATOM 0 HB3 HIS A 29 8.136 -0.756 -8.250 1.00 0.00 H new ATOM 0 HD1 HIS A 29 8.986 0.582 -10.385 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.363 -1.497 -10.870 1.00 0.00 H new ATOM 0 HE1 HIS A 29 7.887 1.484 -12.510 1.00 0.00 H new ATOM 425 N THR A 30 10.229 -2.500 -7.424 1.00 0.00 N ATOM 426 CA THR A 30 10.918 -2.882 -6.204 1.00 0.00 C ATOM 427 C THR A 30 11.223 -1.647 -5.354 1.00 0.00 C ATOM 428 O THR A 30 12.056 -0.822 -5.728 1.00 0.00 O ATOM 429 CB THR A 30 12.167 -3.675 -6.594 1.00 0.00 C ATOM 430 OG1 THR A 30 11.737 -4.487 -7.683 1.00 0.00 O ATOM 431 CG2 THR A 30 12.581 -4.682 -5.519 1.00 0.00 C ATOM 0 H THR A 30 10.622 -1.688 -7.899 1.00 0.00 H new ATOM 0 HA THR A 30 10.292 -3.520 -5.580 1.00 0.00 H new ATOM 0 HB THR A 30 12.990 -2.986 -6.782 1.00 0.00 H new ATOM 0 HG1 THR A 30 12.486 -5.034 -7.999 1.00 0.00 H new ATOM 0 HG21 THR A 30 13.472 -5.218 -5.846 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.795 -4.154 -4.590 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.771 -5.392 -5.354 1.00 0.00 H new ATOM 439 N LEU A 31 10.533 -1.558 -4.227 1.00 0.00 N ATOM 440 CA LEU A 31 10.719 -0.437 -3.322 1.00 0.00 C ATOM 441 C LEU A 31 10.276 -0.844 -1.915 1.00 0.00 C ATOM 442 O LEU A 31 9.610 -1.863 -1.741 1.00 0.00 O ATOM 443 CB LEU A 31 10.007 0.807 -3.855 1.00 0.00 C ATOM 444 CG LEU A 31 8.479 0.736 -3.902 1.00 0.00 C ATOM 445 CD1 LEU A 31 7.914 1.750 -4.899 1.00 0.00 C ATOM 446 CD2 LEU A 31 8.005 -0.687 -4.202 1.00 0.00 C ATOM 0 H LEU A 31 9.844 -2.244 -3.920 1.00 0.00 H new ATOM 0 HA LEU A 31 11.774 -0.169 -3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.293 1.658 -3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.373 1.008 -4.862 1.00 0.00 H new ATOM 0 HG LEU A 31 8.094 1.003 -2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.826 1.679 -4.913 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.208 2.756 -4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.304 1.538 -5.894 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.916 -0.709 -4.230 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.399 -1.006 -5.167 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.362 -1.361 -3.423 1.00 0.00 H new ATOM 458 N THR A 32 10.665 -0.027 -0.947 1.00 0.00 N ATOM 459 CA THR A 32 10.316 -0.289 0.439 1.00 0.00 C ATOM 460 C THR A 32 9.138 0.589 0.868 1.00 0.00 C ATOM 461 O THR A 32 9.298 1.791 1.075 1.00 0.00 O ATOM 462 CB THR A 32 11.570 -0.080 1.290 1.00 0.00 C ATOM 463 OG1 THR A 32 12.611 -0.688 0.529 1.00 0.00 O ATOM 464 CG2 THR A 32 11.538 -0.888 2.589 1.00 0.00 C ATOM 0 H THR A 32 11.219 0.817 -1.095 1.00 0.00 H new ATOM 0 HA THR A 32 9.981 -1.317 0.574 1.00 0.00 H new ATOM 0 HB THR A 32 11.677 0.979 1.524 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.462 -0.597 1.007 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.451 -0.703 3.155 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.675 -0.587 3.184 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.465 -1.950 2.355 1.00 0.00 H new ATOM 472 N VAL A 33 7.981 -0.046 0.987 1.00 0.00 N ATOM 473 CA VAL A 33 6.777 0.662 1.387 1.00 0.00 C ATOM 474 C VAL A 33 6.496 0.387 2.866 1.00 0.00 C ATOM 475 O VAL A 33 6.546 -0.760 3.308 1.00 0.00 O ATOM 476 CB VAL A 33 5.613 0.271 0.475 1.00 0.00 C ATOM 477 CG1 VAL A 33 5.925 0.603 -0.986 1.00 0.00 C ATOM 478 CG2 VAL A 33 5.262 -1.210 0.638 1.00 0.00 C ATOM 0 H VAL A 33 7.852 -1.043 0.813 1.00 0.00 H new ATOM 0 HA VAL A 33 6.912 1.738 1.276 1.00 0.00 H new ATOM 0 HB VAL A 33 4.743 0.856 0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.081 0.315 -1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.102 1.674 -1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.814 0.057 -1.301 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.431 -1.462 -0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.128 -1.820 0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.976 -1.405 1.672 1.00 0.00 H new ATOM 488 N LYS A 34 6.208 1.458 3.590 1.00 0.00 N ATOM 489 CA LYS A 34 5.920 1.347 5.009 1.00 0.00 C ATOM 490 C LYS A 34 4.420 1.546 5.238 1.00 0.00 C ATOM 491 O LYS A 34 3.861 2.573 4.855 1.00 0.00 O ATOM 492 CB LYS A 34 6.798 2.310 5.812 1.00 0.00 C ATOM 493 CG LYS A 34 6.438 2.270 7.299 1.00 0.00 C ATOM 494 CD LYS A 34 6.101 3.668 7.819 1.00 0.00 C ATOM 495 CE LYS A 34 6.097 3.697 9.349 1.00 0.00 C ATOM 496 NZ LYS A 34 5.059 4.628 9.847 1.00 0.00 N ATOM 0 H LYS A 34 6.168 2.408 3.220 1.00 0.00 H new ATOM 0 HA LYS A 34 6.169 0.349 5.371 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.847 2.046 5.681 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.674 3.324 5.431 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.587 1.606 7.453 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.272 1.858 7.868 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.828 4.386 7.440 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.125 3.974 7.443 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.912 2.695 9.737 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.076 4.005 9.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.070 4.636 10.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.253 5.586 9.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.125 4.317 9.513 1.00 0.00 H new ATOM 510 N VAL A 35 3.811 0.548 5.861 1.00 0.00 N ATOM 511 CA VAL A 35 2.387 0.601 6.145 1.00 0.00 C ATOM 512 C VAL A 35 2.123 1.669 7.209 1.00 0.00 C ATOM 513 O VAL A 35 2.934 1.864 8.113 1.00 0.00 O ATOM 514 CB VAL A 35 1.883 -0.785 6.552 1.00 0.00 C ATOM 515 CG1 VAL A 35 0.370 -0.898 6.354 1.00 0.00 C ATOM 516 CG2 VAL A 35 2.619 -1.884 5.783 1.00 0.00 C ATOM 0 H VAL A 35 4.278 -0.302 6.177 1.00 0.00 H new ATOM 0 HA VAL A 35 1.830 0.886 5.253 1.00 0.00 H new ATOM 0 HB VAL A 35 2.094 -0.919 7.613 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.038 -1.893 6.651 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.134 -0.150 6.966 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.127 -0.732 5.304 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.242 -2.859 6.091 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.454 -1.753 4.714 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.686 -1.824 5.996 1.00 0.00 H new ATOM 526 N ILE A 36 0.985 2.332 7.065 1.00 0.00 N ATOM 527 CA ILE A 36 0.604 3.375 8.002 1.00 0.00 C ATOM 528 C ILE A 36 -0.717 2.994 8.673 1.00 0.00 C ATOM 529 O ILE A 36 -0.824 3.016 9.898 1.00 0.00 O ATOM 530 CB ILE A 36 0.569 4.736 7.304 1.00 0.00 C ATOM 531 CG1 ILE A 36 1.600 4.800 6.175 1.00 0.00 C ATOM 532 CG2 ILE A 36 0.750 5.874 8.311 1.00 0.00 C ATOM 533 CD1 ILE A 36 3.023 4.856 6.735 1.00 0.00 C ATOM 0 H ILE A 36 0.315 2.167 6.314 1.00 0.00 H new ATOM 0 HA ILE A 36 1.349 3.467 8.793 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.414 4.862 6.850 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.493 3.928 5.530 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.414 5.678 5.557 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.721 6.830 7.789 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.052 5.839 9.048 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.710 5.765 8.815 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.736 4.901 5.912 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.134 5.742 7.360 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.214 3.965 7.333 1.00 0.00 H new ATOM 545 N GLU A 37 -1.690 2.654 7.841 1.00 0.00 N ATOM 546 CA GLU A 37 -3.000 2.269 8.338 1.00 0.00 C ATOM 547 C GLU A 37 -3.500 1.022 7.606 1.00 0.00 C ATOM 548 O GLU A 37 -2.901 0.594 6.621 1.00 0.00 O ATOM 549 CB GLU A 37 -3.998 3.420 8.204 1.00 0.00 C ATOM 550 CG GLU A 37 -3.424 4.714 8.786 1.00 0.00 C ATOM 551 CD GLU A 37 -4.445 5.409 9.689 1.00 0.00 C ATOM 552 OE1 GLU A 37 -5.368 6.035 9.126 1.00 0.00 O ATOM 553 OE2 GLU A 37 -4.278 5.299 10.923 1.00 0.00 O ATOM 0 H GLU A 37 -1.597 2.637 6.825 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.909 2.033 9.398 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.248 3.569 7.154 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.924 3.165 8.719 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.521 4.492 9.355 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.134 5.384 7.977 1.00 0.00 H new ATOM 560 N ALA A 38 -4.594 0.474 8.115 1.00 0.00 N ATOM 561 CA ALA A 38 -5.181 -0.715 7.522 1.00 0.00 C ATOM 562 C ALA A 38 -6.674 -0.761 7.854 1.00 0.00 C ATOM 563 O ALA A 38 -7.052 -1.025 8.994 1.00 0.00 O ATOM 564 CB ALA A 38 -4.435 -1.955 8.018 1.00 0.00 C ATOM 0 H ALA A 38 -5.089 0.832 8.932 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.085 -0.690 6.437 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.876 -2.847 7.573 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.386 -1.887 7.731 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.511 -2.016 9.104 1.00 0.00 H new ATOM 570 N ASN A 39 -7.482 -0.501 6.837 1.00 0.00 N ATOM 571 CA ASN A 39 -8.925 -0.509 7.007 1.00 0.00 C ATOM 572 C ASN A 39 -9.558 -1.372 5.913 1.00 0.00 C ATOM 573 O ASN A 39 -9.068 -1.409 4.785 1.00 0.00 O ATOM 574 CB ASN A 39 -9.502 0.903 6.887 1.00 0.00 C ATOM 575 CG ASN A 39 -8.406 1.958 7.049 1.00 0.00 C ATOM 576 OD1 ASN A 39 -7.536 2.120 6.210 1.00 0.00 O ATOM 577 ND2 ASN A 39 -8.498 2.665 8.172 1.00 0.00 N ATOM 0 H ASN A 39 -7.165 -0.283 5.892 1.00 0.00 H new ATOM 0 HA ASN A 39 -9.145 -0.906 7.998 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.985 1.021 5.917 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.270 1.052 7.646 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.814 3.395 8.373 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.252 2.477 8.832 1.00 0.00 H new ATOM 584 N ILE A 40 -10.636 -2.046 6.285 1.00 0.00 N ATOM 585 CA ILE A 40 -11.341 -2.906 5.350 1.00 0.00 C ATOM 586 C ILE A 40 -11.985 -2.048 4.260 1.00 0.00 C ATOM 587 O ILE A 40 -12.220 -0.857 4.460 1.00 0.00 O ATOM 588 CB ILE A 40 -12.333 -3.804 6.092 1.00 0.00 C ATOM 589 CG1 ILE A 40 -13.529 -2.997 6.601 1.00 0.00 C ATOM 590 CG2 ILE A 40 -11.640 -4.574 7.218 1.00 0.00 C ATOM 591 CD1 ILE A 40 -14.488 -3.883 7.399 1.00 0.00 C ATOM 0 H ILE A 40 -11.039 -2.014 7.222 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.644 -3.581 4.854 1.00 0.00 H new ATOM 0 HB ILE A 40 -12.719 -4.541 5.388 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -13.179 -2.177 7.228 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -14.057 -2.551 5.758 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -12.368 -5.204 7.729 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -10.850 -5.198 6.800 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -11.208 -3.869 7.929 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -15.329 -3.285 7.749 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -14.855 -4.688 6.762 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -13.964 -4.308 8.255 1.00 0.00 H new ATOM 954 N ILE A 63 -10.072 -9.100 2.363 1.00 0.00 N ATOM 955 CA ILE A 63 -9.309 -8.030 1.742 1.00 0.00 C ATOM 956 C ILE A 63 -9.461 -6.753 2.571 1.00 0.00 C ATOM 957 O ILE A 63 -10.565 -6.407 2.988 1.00 0.00 O ATOM 958 CB ILE A 63 -9.714 -7.864 0.276 1.00 0.00 C ATOM 959 CG1 ILE A 63 -9.042 -8.921 -0.602 1.00 0.00 C ATOM 960 CG2 ILE A 63 -9.427 -6.444 -0.215 1.00 0.00 C ATOM 961 CD1 ILE A 63 -7.697 -8.419 -1.132 1.00 0.00 C ATOM 0 HA ILE A 63 -8.247 -8.277 1.729 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.790 -8.019 0.200 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.892 -9.835 -0.027 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.695 -9.174 -1.438 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.724 -6.353 -1.260 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.991 -5.730 0.386 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.361 -6.235 -0.121 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.240 -9.189 -1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.853 -7.519 -1.727 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.038 -8.191 -0.294 1.00 0.00 H new ATOM 973 N VAL A 64 -8.336 -6.087 2.785 1.00 0.00 N ATOM 974 CA VAL A 64 -8.330 -4.856 3.556 1.00 0.00 C ATOM 975 C VAL A 64 -7.351 -3.866 2.922 1.00 0.00 C ATOM 976 O VAL A 64 -6.270 -4.254 2.480 1.00 0.00 O ATOM 977 CB VAL A 64 -8.009 -5.158 5.021 1.00 0.00 C ATOM 978 CG1 VAL A 64 -7.877 -3.866 5.831 1.00 0.00 C ATOM 979 CG2 VAL A 64 -9.062 -6.084 5.634 1.00 0.00 C ATOM 0 H VAL A 64 -7.422 -6.377 2.438 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.316 -4.392 3.542 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.049 -5.674 5.054 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.649 -4.109 6.869 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.074 -3.257 5.416 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.814 -3.311 5.786 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.810 -6.283 6.676 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.041 -5.607 5.582 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.087 -7.023 5.081 1.00 0.00 H new ATOM 989 N GLU A 65 -7.764 -2.608 2.897 1.00 0.00 N ATOM 990 CA GLU A 65 -6.937 -1.560 2.324 1.00 0.00 C ATOM 991 C GLU A 65 -5.966 -1.016 3.373 1.00 0.00 C ATOM 992 O GLU A 65 -6.368 -0.704 4.493 1.00 0.00 O ATOM 993 CB GLU A 65 -7.799 -0.438 1.741 1.00 0.00 C ATOM 994 CG GLU A 65 -8.076 -0.675 0.255 1.00 0.00 C ATOM 995 CD GLU A 65 -9.093 0.335 -0.281 1.00 0.00 C ATOM 996 OE1 GLU A 65 -9.210 1.410 0.345 1.00 0.00 O ATOM 997 OE2 GLU A 65 -9.731 0.008 -1.305 1.00 0.00 O ATOM 0 H GLU A 65 -8.661 -2.290 3.264 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.356 -1.989 1.508 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.742 -0.378 2.285 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.294 0.519 1.872 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.147 -0.595 -0.309 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.452 -1.688 0.108 1.00 0.00 H new ATOM 1004 N CYS A 66 -4.706 -0.919 2.975 1.00 0.00 N ATOM 1005 CA CYS A 66 -3.675 -0.419 3.867 1.00 0.00 C ATOM 1006 C CYS A 66 -2.899 0.680 3.137 1.00 0.00 C ATOM 1007 O CYS A 66 -2.762 0.641 1.915 1.00 0.00 O ATOM 1008 CB CYS A 66 -2.754 -1.540 4.353 1.00 0.00 C ATOM 1009 SG CYS A 66 -3.743 -3.019 4.783 1.00 0.00 S ATOM 0 H CYS A 66 -4.376 -1.179 2.045 1.00 0.00 H new ATOM 0 HA CYS A 66 -4.137 -0.003 4.763 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.030 -1.789 3.577 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -2.188 -1.206 5.222 1.00 0.00 H new ATOM 0 HG CYS A 66 -3.012 -3.845 5.471 1.00 0.00 H new ATOM 1015 N LEU A 67 -2.413 1.634 3.917 1.00 0.00 N ATOM 1016 CA LEU A 67 -1.655 2.742 3.360 1.00 0.00 C ATOM 1017 C LEU A 67 -0.159 2.448 3.492 1.00 0.00 C ATOM 1018 O LEU A 67 0.353 2.299 4.600 1.00 0.00 O ATOM 1019 CB LEU A 67 -2.081 4.061 4.006 1.00 0.00 C ATOM 1020 CG LEU A 67 -1.591 5.336 3.315 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -2.101 5.409 1.874 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -1.973 6.578 4.122 1.00 0.00 C ATOM 0 H LEU A 67 -2.529 1.663 4.930 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.867 2.852 2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.170 4.088 4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.725 4.070 5.036 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.502 5.304 3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.739 6.324 1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.737 4.547 1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.191 5.408 1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.613 7.470 3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.057 6.629 4.220 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.521 6.522 5.112 1.00 0.00 H new ATOM 1034 N ILE A 68 0.500 2.373 2.345 1.00 0.00 N ATOM 1035 CA ILE A 68 1.927 2.100 2.318 1.00 0.00 C ATOM 1036 C ILE A 68 2.609 3.065 1.347 1.00 0.00 C ATOM 1037 O ILE A 68 1.984 3.546 0.402 1.00 0.00 O ATOM 1038 CB ILE A 68 2.184 0.625 2.001 1.00 0.00 C ATOM 1039 CG1 ILE A 68 2.089 0.363 0.496 1.00 0.00 C ATOM 1040 CG2 ILE A 68 1.245 -0.280 2.801 1.00 0.00 C ATOM 1041 CD1 ILE A 68 0.743 0.834 -0.058 1.00 0.00 C ATOM 0 H ILE A 68 0.072 2.497 1.427 1.00 0.00 H new ATOM 0 HA ILE A 68 2.366 2.273 3.300 1.00 0.00 H new ATOM 0 HB ILE A 68 3.202 0.382 2.307 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.899 0.880 -0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.215 -0.702 0.300 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.449 -1.323 2.557 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.405 -0.119 3.867 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.211 -0.044 2.550 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.701 0.636 -1.129 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.064 0.298 0.442 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.631 1.904 0.118 1.00 0.00 H new ATOM 1053 N GLY A 69 3.881 3.321 1.612 1.00 0.00 N ATOM 1054 CA GLY A 69 4.655 4.221 0.774 1.00 0.00 C ATOM 1055 C GLY A 69 6.025 4.504 1.391 1.00 0.00 C ATOM 1056 O GLY A 69 6.514 3.726 2.209 1.00 0.00 O ATOM 0 H GLY A 69 4.396 2.920 2.396 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.782 3.783 -0.216 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.112 5.157 0.641 1.00 0.00 H new ATOM 1060 N ASP A 70 6.607 5.620 0.977 1.00 0.00 N ATOM 1061 CA ASP A 70 7.911 6.016 1.479 1.00 0.00 C ATOM 1062 C ASP A 70 7.898 7.511 1.801 1.00 0.00 C ATOM 1063 O ASP A 70 6.877 8.177 1.632 1.00 0.00 O ATOM 1064 CB ASP A 70 9.002 5.766 0.436 1.00 0.00 C ATOM 1065 CG ASP A 70 10.387 5.458 1.008 1.00 0.00 C ATOM 1066 OD1 ASP A 70 10.533 5.592 2.242 1.00 0.00 O ATOM 1067 OD2 ASP A 70 11.268 5.094 0.199 1.00 0.00 O ATOM 0 H ASP A 70 6.198 6.263 0.299 1.00 0.00 H new ATOM 0 HA ASP A 70 8.122 5.425 2.370 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.694 4.934 -0.197 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.078 6.644 -0.206 1.00 0.00 H new ATOM 1072 N GLU A 71 9.042 7.996 2.258 1.00 0.00 N ATOM 1073 CA GLU A 71 9.175 9.401 2.605 1.00 0.00 C ATOM 1074 C GLU A 71 8.675 10.281 1.457 1.00 0.00 C ATOM 1075 O GLU A 71 8.266 11.420 1.676 1.00 0.00 O ATOM 1076 CB GLU A 71 10.621 9.743 2.967 1.00 0.00 C ATOM 1077 CG GLU A 71 11.531 9.648 1.740 1.00 0.00 C ATOM 1078 CD GLU A 71 12.340 10.934 1.558 1.00 0.00 C ATOM 1079 OE1 GLU A 71 12.803 11.464 2.591 1.00 0.00 O ATOM 1080 OE2 GLU A 71 12.478 11.356 0.389 1.00 0.00 O ATOM 0 H GLU A 71 9.887 7.441 2.396 1.00 0.00 H new ATOM 0 HA GLU A 71 8.560 9.597 3.483 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.667 10.750 3.381 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.976 9.063 3.741 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.208 8.801 1.849 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.930 9.463 0.850 1.00 0.00 H new ATOM 1087 N THR A 72 8.724 9.718 0.259 1.00 0.00 N ATOM 1088 CA THR A 72 8.281 10.437 -0.924 1.00 0.00 C ATOM 1089 C THR A 72 6.759 10.592 -0.915 1.00 0.00 C ATOM 1090 O THR A 72 6.242 11.655 -0.574 1.00 0.00 O ATOM 1091 CB THR A 72 8.808 9.695 -2.153 1.00 0.00 C ATOM 1092 OG1 THR A 72 8.312 8.368 -1.998 1.00 0.00 O ATOM 1093 CG2 THR A 72 10.329 9.529 -2.130 1.00 0.00 C ATOM 0 H THR A 72 9.063 8.773 0.082 1.00 0.00 H new ATOM 0 HA THR A 72 8.680 11.451 -0.943 1.00 0.00 H new ATOM 0 HB THR A 72 8.515 10.234 -3.054 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.409 7.882 -2.843 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.650 8.996 -3.025 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.802 10.511 -2.103 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.620 8.962 -1.246 1.00 0.00 H new ATOM 1101 N GLY A 73 6.084 9.517 -1.293 1.00 0.00 N ATOM 1102 CA GLY A 73 4.631 9.520 -1.332 1.00 0.00 C ATOM 1103 C GLY A 73 4.066 8.188 -0.835 1.00 0.00 C ATOM 1104 O GLY A 73 4.809 7.339 -0.345 1.00 0.00 O ATOM 0 H GLY A 73 6.516 8.637 -1.575 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.249 10.334 -0.716 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.291 9.705 -2.351 1.00 0.00 H new ATOM 1108 N CYS A 74 2.756 8.047 -0.978 1.00 0.00 N ATOM 1109 CA CYS A 74 2.083 6.833 -0.549 1.00 0.00 C ATOM 1110 C CYS A 74 0.949 6.540 -1.534 1.00 0.00 C ATOM 1111 O CYS A 74 0.472 7.440 -2.223 1.00 0.00 O ATOM 1112 CB CYS A 74 1.575 6.946 0.889 1.00 0.00 C ATOM 1113 SG CYS A 74 1.018 8.657 1.224 1.00 0.00 S ATOM 0 H CYS A 74 2.143 8.753 -1.385 1.00 0.00 H new ATOM 0 HA CYS A 74 2.789 6.002 -0.551 1.00 0.00 H new ATOM 0 HB2 CYS A 74 0.752 6.249 1.048 1.00 0.00 H new ATOM 0 HB3 CYS A 74 2.366 6.669 1.586 1.00 0.00 H new ATOM 0 HG CYS A 74 2.034 9.379 1.594 1.00 0.00 H new ATOM 1119 N ILE A 75 0.551 5.276 -1.569 1.00 0.00 N ATOM 1120 CA ILE A 75 -0.518 4.853 -2.457 1.00 0.00 C ATOM 1121 C ILE A 75 -1.352 3.772 -1.766 1.00 0.00 C ATOM 1122 O ILE A 75 -0.914 3.181 -0.780 1.00 0.00 O ATOM 1123 CB ILE A 75 0.050 4.420 -3.810 1.00 0.00 C ATOM 1124 CG1 ILE A 75 0.041 2.896 -3.946 1.00 0.00 C ATOM 1125 CG2 ILE A 75 1.446 5.007 -4.032 1.00 0.00 C ATOM 1126 CD1 ILE A 75 1.018 2.251 -2.961 1.00 0.00 C ATOM 0 H ILE A 75 0.950 4.532 -0.997 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.188 5.686 -2.670 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.595 4.817 -4.594 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.965 2.517 -3.766 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.309 2.617 -4.965 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.827 4.684 -5.001 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.391 6.095 -4.008 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.116 4.660 -3.245 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.992 1.168 -3.079 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.027 2.613 -3.159 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.733 2.512 -1.942 1.00 0.00 H new ATOM 1138 N LEU A 76 -2.539 3.547 -2.310 1.00 0.00 N ATOM 1139 CA LEU A 76 -3.438 2.548 -1.758 1.00 0.00 C ATOM 1140 C LEU A 76 -3.143 1.192 -2.403 1.00 0.00 C ATOM 1141 O LEU A 76 -3.218 1.050 -3.622 1.00 0.00 O ATOM 1142 CB LEU A 76 -4.893 2.996 -1.907 1.00 0.00 C ATOM 1143 CG LEU A 76 -5.459 3.828 -0.755 1.00 0.00 C ATOM 1144 CD1 LEU A 76 -6.946 4.119 -0.968 1.00 0.00 C ATOM 1145 CD2 LEU A 76 -5.195 3.152 0.592 1.00 0.00 C ATOM 0 H LEU A 76 -2.899 4.040 -3.127 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.272 2.436 -0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.982 3.576 -2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.515 2.109 -2.028 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.941 4.787 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.324 4.712 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.079 4.673 -1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.496 3.180 -1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.608 3.765 1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.668 2.170 0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.121 3.039 0.738 1.00 0.00 H new ATOM 1157 N PHE A 77 -2.814 0.228 -1.554 1.00 0.00 N ATOM 1158 CA PHE A 77 -2.508 -1.112 -2.026 1.00 0.00 C ATOM 1159 C PHE A 77 -3.390 -2.152 -1.332 1.00 0.00 C ATOM 1160 O PHE A 77 -3.571 -2.106 -0.116 1.00 0.00 O ATOM 1161 CB PHE A 77 -1.044 -1.386 -1.675 1.00 0.00 C ATOM 1162 CG PHE A 77 -0.644 -2.858 -1.783 1.00 0.00 C ATOM 1163 CD1 PHE A 77 -1.128 -3.762 -0.890 1.00 0.00 C ATOM 1164 CD2 PHE A 77 0.197 -3.263 -2.772 1.00 0.00 C ATOM 1165 CE1 PHE A 77 -0.757 -5.129 -0.990 1.00 0.00 C ATOM 1166 CE2 PHE A 77 0.569 -4.630 -2.872 1.00 0.00 C ATOM 1167 CZ PHE A 77 0.084 -5.534 -1.979 1.00 0.00 C ATOM 0 H PHE A 77 -2.753 0.349 -0.543 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.689 -1.179 -3.099 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.407 -0.797 -2.335 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.854 -1.042 -0.658 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.795 -3.440 -0.104 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.582 -2.545 -3.481 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.143 -5.847 -0.281 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.237 -4.952 -3.657 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.367 -6.574 -2.055 1.00 0.00 H new ATOM 1177 N THR A 78 -3.916 -3.065 -2.134 1.00 0.00 N ATOM 1178 CA THR A 78 -4.774 -4.115 -1.613 1.00 0.00 C ATOM 1179 C THR A 78 -3.941 -5.328 -1.197 1.00 0.00 C ATOM 1180 O THR A 78 -3.119 -5.817 -1.971 1.00 0.00 O ATOM 1181 CB THR A 78 -5.827 -4.436 -2.675 1.00 0.00 C ATOM 1182 OG1 THR A 78 -6.657 -3.278 -2.704 1.00 0.00 O ATOM 1183 CG2 THR A 78 -6.771 -5.560 -2.243 1.00 0.00 C ATOM 0 H THR A 78 -3.764 -3.100 -3.142 1.00 0.00 H new ATOM 0 HA THR A 78 -5.291 -3.791 -0.710 1.00 0.00 H new ATOM 0 HB THR A 78 -5.330 -4.716 -3.604 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.367 -3.401 -3.369 1.00 0.00 H new ATOM 0 HG21 THR A 78 -7.498 -5.748 -3.033 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.196 -6.467 -2.056 1.00 0.00 H new ATOM 0 HG23 THR A 78 -7.292 -5.267 -1.332 1.00 0.00 H new ATOM 1191 N ALA A 79 -4.180 -5.780 0.025 1.00 0.00 N ATOM 1192 CA ALA A 79 -3.462 -6.927 0.554 1.00 0.00 C ATOM 1193 C ALA A 79 -4.451 -8.064 0.823 1.00 0.00 C ATOM 1194 O ALA A 79 -5.512 -7.843 1.405 1.00 0.00 O ATOM 1195 CB ALA A 79 -2.693 -6.514 1.810 1.00 0.00 C ATOM 0 H ALA A 79 -4.862 -5.372 0.665 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.732 -7.289 -0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.155 -7.375 2.206 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.983 -5.726 1.559 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.393 -6.147 2.561 1.00 0.00 H new ATOM 1201 N ARG A 80 -4.068 -9.254 0.386 1.00 0.00 N ATOM 1202 CA ARG A 80 -4.907 -10.425 0.572 1.00 0.00 C ATOM 1203 C ARG A 80 -4.902 -10.854 2.041 1.00 0.00 C ATOM 1204 O ARG A 80 -4.047 -10.425 2.814 1.00 0.00 O ATOM 1205 CB ARG A 80 -4.426 -11.592 -0.294 1.00 0.00 C ATOM 1206 CG ARG A 80 -4.523 -11.247 -1.781 1.00 0.00 C ATOM 1207 CD ARG A 80 -5.599 -12.088 -2.470 1.00 0.00 C ATOM 1208 NE ARG A 80 -5.052 -12.698 -3.703 1.00 0.00 N ATOM 1209 CZ ARG A 80 -4.103 -13.643 -3.716 1.00 0.00 C ATOM 1210 NH1 ARG A 80 -3.589 -14.094 -2.563 1.00 0.00 N ATOM 1211 NH2 ARG A 80 -3.667 -14.139 -4.883 1.00 0.00 N ATOM 0 H ARG A 80 -3.187 -9.433 -0.097 1.00 0.00 H new ATOM 0 HA ARG A 80 -5.920 -10.157 0.271 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.395 -11.837 -0.040 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.025 -12.478 -0.083 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -4.754 -10.188 -1.898 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -3.560 -11.418 -2.261 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -5.951 -12.867 -1.794 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -6.459 -11.464 -2.714 1.00 0.00 H new ATOM 0 HE ARG A 80 -5.421 -12.379 -4.599 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -3.921 -13.717 -1.675 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.866 -14.814 -2.574 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -4.058 -13.797 -5.761 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.944 -14.859 -4.893 1.00 0.00 H new ATOM 1225 N ASN A 81 -5.868 -11.695 2.382 1.00 0.00 N ATOM 1226 CA ASN A 81 -5.985 -12.186 3.745 1.00 0.00 C ATOM 1227 C ASN A 81 -4.605 -12.611 4.250 1.00 0.00 C ATOM 1228 O ASN A 81 -4.360 -12.629 5.455 1.00 0.00 O ATOM 1229 CB ASN A 81 -6.910 -13.403 3.814 1.00 0.00 C ATOM 1230 CG ASN A 81 -7.302 -13.712 5.260 1.00 0.00 C ATOM 1231 OD1 ASN A 81 -6.846 -13.085 6.202 1.00 0.00 O ATOM 1232 ND2 ASN A 81 -8.170 -14.712 5.383 1.00 0.00 N ATOM 0 H ASN A 81 -6.576 -12.049 1.739 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.397 -11.385 4.358 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.806 -13.217 3.222 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.412 -14.268 3.376 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -8.493 -14.996 6.308 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -8.512 -15.195 4.553 1.00 0.00 H new ATOM 1239 N ASP A 82 -3.740 -12.944 3.303 1.00 0.00 N ATOM 1240 CA ASP A 82 -2.391 -13.368 3.637 1.00 0.00 C ATOM 1241 C ASP A 82 -1.489 -12.139 3.754 1.00 0.00 C ATOM 1242 O ASP A 82 -0.966 -11.849 4.829 1.00 0.00 O ATOM 1243 CB ASP A 82 -1.814 -14.276 2.549 1.00 0.00 C ATOM 1244 CG ASP A 82 -1.446 -15.687 3.011 1.00 0.00 C ATOM 1245 OD1 ASP A 82 -2.260 -16.269 3.761 1.00 0.00 O ATOM 1246 OD2 ASP A 82 -0.360 -16.152 2.605 1.00 0.00 O ATOM 0 H ASP A 82 -3.947 -12.929 2.304 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.433 -13.915 4.579 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.539 -14.353 1.739 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.924 -13.802 2.136 1.00 0.00 H new ATOM 1251 N GLN A 83 -1.334 -11.449 2.634 1.00 0.00 N ATOM 1252 CA GLN A 83 -0.504 -10.257 2.598 1.00 0.00 C ATOM 1253 C GLN A 83 -0.918 -9.287 3.707 1.00 0.00 C ATOM 1254 O GLN A 83 -0.071 -8.637 4.316 1.00 0.00 O ATOM 1255 CB GLN A 83 -0.572 -9.582 1.226 1.00 0.00 C ATOM 1256 CG GLN A 83 -0.020 -10.502 0.135 1.00 0.00 C ATOM 1257 CD GLN A 83 -0.648 -10.179 -1.222 1.00 0.00 C ATOM 1258 OE1 GLN A 83 -1.313 -10.997 -1.838 1.00 0.00 O ATOM 1259 NE2 GLN A 83 -0.401 -8.946 -1.654 1.00 0.00 N ATOM 0 H GLN A 83 -1.769 -11.693 1.744 1.00 0.00 H new ATOM 0 HA GLN A 83 0.531 -10.554 2.770 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.605 -9.319 0.997 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -0.003 -8.653 1.245 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.063 -10.392 0.074 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.221 -11.541 0.395 1.00 0.00 H new ATOM 0 HE21 GLN A 83 0.163 -8.311 -1.089 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.776 -8.635 -2.550 1.00 0.00 H new ATOM 1268 N VAL A 84 -2.222 -9.222 3.935 1.00 0.00 N ATOM 1269 CA VAL A 84 -2.759 -8.343 4.960 1.00 0.00 C ATOM 1270 C VAL A 84 -1.827 -8.351 6.173 1.00 0.00 C ATOM 1271 O VAL A 84 -1.572 -7.307 6.771 1.00 0.00 O ATOM 1272 CB VAL A 84 -4.192 -8.755 5.304 1.00 0.00 C ATOM 1273 CG1 VAL A 84 -4.203 -9.944 6.268 1.00 0.00 C ATOM 1274 CG2 VAL A 84 -4.979 -7.576 5.879 1.00 0.00 C ATOM 0 H VAL A 84 -2.922 -9.763 3.428 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.808 -7.317 4.595 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.682 -9.066 4.381 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.233 -10.217 6.497 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.697 -10.792 5.806 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.687 -9.671 7.189 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -5.994 -7.896 6.115 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.491 -7.220 6.786 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.014 -6.770 5.146 1.00 0.00 H new ATOM 1284 N ASP A 85 -1.342 -9.540 6.499 1.00 0.00 N ATOM 1285 CA ASP A 85 -0.443 -9.698 7.629 1.00 0.00 C ATOM 1286 C ASP A 85 0.822 -8.873 7.388 1.00 0.00 C ATOM 1287 O ASP A 85 1.182 -8.027 8.206 1.00 0.00 O ATOM 1288 CB ASP A 85 -0.028 -11.160 7.803 1.00 0.00 C ATOM 1289 CG ASP A 85 -0.922 -11.980 8.736 1.00 0.00 C ATOM 1290 OD1 ASP A 85 -2.157 -11.856 8.592 1.00 0.00 O ATOM 1291 OD2 ASP A 85 -0.349 -12.711 9.572 1.00 0.00 O ATOM 0 H ASP A 85 -1.555 -10.404 6.000 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.966 -9.363 8.525 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.016 -11.638 6.823 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.993 -11.189 8.184 1.00 0.00 H new ATOM 1296 N LEU A 86 1.464 -9.147 6.261 1.00 0.00 N ATOM 1297 CA LEU A 86 2.681 -8.441 5.902 1.00 0.00 C ATOM 1298 C LEU A 86 2.365 -6.957 5.702 1.00 0.00 C ATOM 1299 O LEU A 86 3.230 -6.103 5.892 1.00 0.00 O ATOM 1300 CB LEU A 86 3.344 -9.097 4.689 1.00 0.00 C ATOM 1301 CG LEU A 86 3.873 -10.517 4.900 1.00 0.00 C ATOM 1302 CD1 LEU A 86 3.460 -11.434 3.747 1.00 0.00 C ATOM 1303 CD2 LEU A 86 5.388 -10.512 5.114 1.00 0.00 C ATOM 0 H LEU A 86 1.163 -9.849 5.585 1.00 0.00 H new ATOM 0 HA LEU A 86 3.411 -8.506 6.709 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.623 -9.117 3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.172 -8.466 4.367 1.00 0.00 H new ATOM 0 HG LEU A 86 3.421 -10.918 5.807 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.849 -12.437 3.922 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.372 -11.473 3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.864 -11.047 2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.738 -11.534 5.262 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.878 -10.083 4.240 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.629 -9.915 5.994 1.00 0.00 H new ATOM 1315 N MET A 87 1.123 -6.696 5.322 1.00 0.00 N ATOM 1316 CA MET A 87 0.682 -5.330 5.094 1.00 0.00 C ATOM 1317 C MET A 87 -0.023 -4.768 6.330 1.00 0.00 C ATOM 1318 O MET A 87 -1.010 -4.044 6.211 1.00 0.00 O ATOM 1319 CB MET A 87 -0.275 -5.295 3.901 1.00 0.00 C ATOM 1320 CG MET A 87 0.383 -5.888 2.653 1.00 0.00 C ATOM 1321 SD MET A 87 1.765 -4.876 2.152 1.00 0.00 S ATOM 1322 CE MET A 87 1.021 -3.257 2.262 1.00 0.00 C ATOM 0 H MET A 87 0.408 -7.407 5.166 1.00 0.00 H new ATOM 0 HA MET A 87 1.558 -4.715 4.887 1.00 0.00 H new ATOM 0 HB2 MET A 87 -1.180 -5.854 4.140 1.00 0.00 H new ATOM 0 HB3 MET A 87 -0.578 -4.267 3.703 1.00 0.00 H new ATOM 0 HG2 MET A 87 0.721 -6.904 2.858 1.00 0.00 H new ATOM 0 HG3 MET A 87 -0.344 -5.951 1.844 1.00 0.00 H new ATOM 0 HE1 MET A 87 1.596 -2.551 1.664 1.00 0.00 H new ATOM 0 HE2 MET A 87 -0.002 -3.300 1.888 1.00 0.00 H new ATOM 0 HE3 MET A 87 1.014 -2.930 3.302 1.00 0.00 H new ATOM 1332 N LYS A 88 0.512 -5.123 7.490 1.00 0.00 N ATOM 1333 CA LYS A 88 -0.054 -4.664 8.747 1.00 0.00 C ATOM 1334 C LYS A 88 0.321 -3.196 8.963 1.00 0.00 C ATOM 1335 O LYS A 88 1.313 -2.718 8.415 1.00 0.00 O ATOM 1336 CB LYS A 88 0.371 -5.583 9.893 1.00 0.00 C ATOM 1337 CG LYS A 88 -0.702 -6.635 10.180 1.00 0.00 C ATOM 1338 CD LYS A 88 -1.252 -6.484 11.600 1.00 0.00 C ATOM 1339 CE LYS A 88 -0.866 -7.684 12.467 1.00 0.00 C ATOM 1340 NZ LYS A 88 -2.007 -8.100 13.314 1.00 0.00 N ATOM 0 H LYS A 88 1.331 -5.723 7.585 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.142 -4.714 8.717 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.310 -6.076 9.640 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.554 -4.991 10.790 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.514 -6.537 9.459 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.281 -7.633 10.053 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.866 -5.568 12.048 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.337 -6.390 11.566 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.555 -8.514 11.832 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.014 -7.427 13.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.728 -8.915 13.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.285 -7.312 13.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.810 -8.365 12.709 1.00 0.00 H new ATOM 1354 N PRO A 89 -0.513 -2.505 9.785 1.00 0.00 N ATOM 1355 CA PRO A 89 -0.279 -1.102 10.081 1.00 0.00 C ATOM 1356 C PRO A 89 0.882 -0.935 11.063 1.00 0.00 C ATOM 1357 O PRO A 89 0.946 -1.626 12.078 1.00 0.00 O ATOM 1358 CB PRO A 89 -1.600 -0.591 10.632 1.00 0.00 C ATOM 1359 CG PRO A 89 -2.380 -1.824 11.058 1.00 0.00 C ATOM 1360 CD PRO A 89 -1.697 -3.039 10.452 1.00 0.00 C ATOM 0 HA PRO A 89 0.019 -0.531 9.202 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.438 0.079 11.476 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -2.146 -0.026 9.876 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -2.406 -1.903 12.145 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.414 -1.758 10.719 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.426 -3.764 11.219 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.352 -3.551 9.747 1.00 0.00 H new ATOM 1368 N GLY A 90 1.772 -0.014 10.726 1.00 0.00 N ATOM 1369 CA GLY A 90 2.928 0.253 11.565 1.00 0.00 C ATOM 1370 C GLY A 90 4.045 -0.758 11.297 1.00 0.00 C ATOM 1371 O GLY A 90 4.905 -0.978 12.148 1.00 0.00 O ATOM 0 H GLY A 90 1.716 0.557 9.883 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.293 1.262 11.376 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.638 0.210 12.615 1.00 0.00 H new ATOM 1375 N ALA A 91 3.995 -1.347 10.111 1.00 0.00 N ATOM 1376 CA ALA A 91 4.991 -2.330 9.721 1.00 0.00 C ATOM 1377 C ALA A 91 5.592 -1.933 8.371 1.00 0.00 C ATOM 1378 O ALA A 91 4.982 -1.179 7.614 1.00 0.00 O ATOM 1379 CB ALA A 91 4.352 -3.720 9.689 1.00 0.00 C ATOM 0 H ALA A 91 3.280 -1.162 9.407 1.00 0.00 H new ATOM 0 HA ALA A 91 5.803 -2.362 10.447 1.00 0.00 H new ATOM 0 HB1 ALA A 91 5.099 -4.457 9.396 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.967 -3.966 10.679 1.00 0.00 H new ATOM 0 HB3 ALA A 91 3.534 -3.728 8.969 1.00 0.00 H new ATOM 1385 N THR A 92 6.780 -2.458 8.111 1.00 0.00 N ATOM 1386 CA THR A 92 7.470 -2.167 6.865 1.00 0.00 C ATOM 1387 C THR A 92 7.595 -3.434 6.017 1.00 0.00 C ATOM 1388 O THR A 92 7.920 -4.502 6.533 1.00 0.00 O ATOM 1389 CB THR A 92 8.818 -1.531 7.209 1.00 0.00 C ATOM 1390 OG1 THR A 92 8.487 -0.488 8.121 1.00 0.00 O ATOM 1391 CG2 THR A 92 9.441 -0.800 6.018 1.00 0.00 C ATOM 0 H THR A 92 7.283 -3.083 8.741 1.00 0.00 H new ATOM 0 HA THR A 92 6.907 -1.460 6.256 1.00 0.00 H new ATOM 0 HB THR A 92 9.504 -2.302 7.561 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.566 -0.193 7.961 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.396 -0.367 6.316 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.601 -1.505 5.202 1.00 0.00 H new ATOM 0 HG23 THR A 92 8.771 -0.007 5.687 1.00 0.00 H new ATOM 1399 N VAL A 93 7.330 -3.274 4.729 1.00 0.00 N ATOM 1400 CA VAL A 93 7.408 -4.392 3.803 1.00 0.00 C ATOM 1401 C VAL A 93 7.833 -3.879 2.426 1.00 0.00 C ATOM 1402 O VAL A 93 7.704 -2.691 2.135 1.00 0.00 O ATOM 1403 CB VAL A 93 6.076 -5.144 3.777 1.00 0.00 C ATOM 1404 CG1 VAL A 93 5.810 -5.836 5.116 1.00 0.00 C ATOM 1405 CG2 VAL A 93 4.925 -4.207 3.406 1.00 0.00 C ATOM 0 H VAL A 93 7.061 -2.387 4.304 1.00 0.00 H new ATOM 0 HA VAL A 93 8.163 -5.107 4.130 1.00 0.00 H new ATOM 0 HB VAL A 93 6.142 -5.915 3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.857 -6.363 5.070 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.609 -6.548 5.323 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.774 -5.090 5.910 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.990 -4.766 3.395 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.859 -3.404 4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.106 -3.782 2.419 1.00 0.00 H new ATOM 1415 N ILE A 94 8.330 -4.800 1.614 1.00 0.00 N ATOM 1416 CA ILE A 94 8.775 -4.456 0.274 1.00 0.00 C ATOM 1417 C ILE A 94 7.869 -5.143 -0.750 1.00 0.00 C ATOM 1418 O ILE A 94 7.202 -6.126 -0.434 1.00 0.00 O ATOM 1419 CB ILE A 94 10.259 -4.785 0.101 1.00 0.00 C ATOM 1420 CG1 ILE A 94 11.136 -3.623 0.571 1.00 0.00 C ATOM 1421 CG2 ILE A 94 10.566 -5.188 -1.342 1.00 0.00 C ATOM 1422 CD1 ILE A 94 12.585 -4.074 0.767 1.00 0.00 C ATOM 0 H ILE A 94 8.435 -5.785 1.858 1.00 0.00 H new ATOM 0 HA ILE A 94 8.689 -3.382 0.107 1.00 0.00 H new ATOM 0 HB ILE A 94 10.495 -5.642 0.732 1.00 0.00 H new ATOM 0 HG12 ILE A 94 11.098 -2.815 -0.160 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.746 -3.224 1.507 1.00 0.00 H new ATOM 0 HG21 ILE A 94 11.627 -5.417 -1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 94 9.980 -6.068 -1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 94 10.310 -4.367 -2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 94 13.187 -3.229 1.101 1.00 0.00 H new ATOM 0 HD12 ILE A 94 12.622 -4.865 1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 94 12.980 -4.450 -0.177 1.00 0.00 H new ATOM 1434 N LEU A 95 7.875 -4.597 -1.957 1.00 0.00 N ATOM 1435 CA LEU A 95 7.063 -5.144 -3.031 1.00 0.00 C ATOM 1436 C LEU A 95 7.969 -5.547 -4.196 1.00 0.00 C ATOM 1437 O LEU A 95 8.611 -4.697 -4.810 1.00 0.00 O ATOM 1438 CB LEU A 95 5.959 -4.159 -3.422 1.00 0.00 C ATOM 1439 CG LEU A 95 4.537 -4.547 -3.010 1.00 0.00 C ATOM 1440 CD1 LEU A 95 4.412 -4.636 -1.488 1.00 0.00 C ATOM 1441 CD2 LEU A 95 3.510 -3.588 -3.615 1.00 0.00 C ATOM 0 H LEU A 95 8.430 -3.781 -2.215 1.00 0.00 H new ATOM 0 HA LEU A 95 6.550 -6.047 -2.699 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.192 -3.189 -2.982 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.980 -4.031 -4.504 1.00 0.00 H new ATOM 0 HG LEU A 95 4.325 -5.539 -3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.392 -4.913 -1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.103 -5.389 -1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.652 -3.669 -1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.508 -3.886 -3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.710 -2.574 -3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.579 -3.619 -4.702 1.00 0.00 H new ATOM 1453 N ARG A 96 7.992 -6.844 -4.464 1.00 0.00 N ATOM 1454 CA ARG A 96 8.808 -7.371 -5.545 1.00 0.00 C ATOM 1455 C ARG A 96 7.921 -7.859 -6.691 1.00 0.00 C ATOM 1456 O ARG A 96 7.024 -8.676 -6.482 1.00 0.00 O ATOM 1457 CB ARG A 96 9.685 -8.527 -5.059 1.00 0.00 C ATOM 1458 CG ARG A 96 10.932 -8.005 -4.342 1.00 0.00 C ATOM 1459 CD ARG A 96 11.473 -9.044 -3.357 1.00 0.00 C ATOM 1460 NE ARG A 96 12.787 -9.544 -3.818 1.00 0.00 N ATOM 1461 CZ ARG A 96 12.944 -10.528 -4.714 1.00 0.00 C ATOM 1462 NH1 ARG A 96 11.871 -11.124 -5.249 1.00 0.00 N ATOM 1463 NH2 ARG A 96 14.176 -10.916 -5.073 1.00 0.00 N ATOM 0 H ARG A 96 7.459 -7.546 -3.951 1.00 0.00 H new ATOM 0 HA ARG A 96 9.451 -6.565 -5.898 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.113 -9.164 -4.384 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.980 -9.145 -5.907 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.701 -7.758 -5.074 1.00 0.00 H new ATOM 0 HG3 ARG A 96 10.692 -7.085 -3.810 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.571 -8.601 -2.366 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.771 -9.873 -3.268 1.00 0.00 H new ATOM 0 HE ARG A 96 13.626 -9.113 -3.430 1.00 0.00 H new ATOM 0 HH11 ARG A 96 10.934 -10.829 -4.975 1.00 0.00 H new ATOM 0 HH12 ARG A 96 11.991 -11.873 -5.931 1.00 0.00 H new ATOM 0 HH21 ARG A 96 14.993 -10.462 -4.664 1.00 0.00 H new ATOM 0 HH22 ARG A 96 14.296 -11.665 -5.755 1.00 0.00 H new ATOM 1477 N ASN A 97 8.202 -7.340 -7.877 1.00 0.00 N ATOM 1478 CA ASN A 97 7.440 -7.713 -9.057 1.00 0.00 C ATOM 1479 C ASN A 97 6.034 -7.116 -8.961 1.00 0.00 C ATOM 1480 O ASN A 97 5.091 -7.645 -9.547 1.00 0.00 O ATOM 1481 CB ASN A 97 7.302 -9.233 -9.166 1.00 0.00 C ATOM 1482 CG ASN A 97 7.629 -9.713 -10.581 1.00 0.00 C ATOM 1483 OD1 ASN A 97 8.777 -9.798 -10.986 1.00 0.00 O ATOM 1484 ND2 ASN A 97 6.559 -10.020 -11.309 1.00 0.00 N ATOM 0 H ASN A 97 8.947 -6.664 -8.046 1.00 0.00 H new ATOM 0 HA ASN A 97 7.968 -7.335 -9.933 1.00 0.00 H new ATOM 0 HB2 ASN A 97 7.970 -9.715 -8.451 1.00 0.00 H new ATOM 0 HB3 ASN A 97 6.287 -9.529 -8.903 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.672 -10.349 -12.268 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.626 -9.926 -10.909 1.00 0.00 H new ATOM 1491 N SER A 98 5.939 -6.024 -8.218 1.00 0.00 N ATOM 1492 CA SER A 98 4.664 -5.350 -8.037 1.00 0.00 C ATOM 1493 C SER A 98 4.213 -4.721 -9.357 1.00 0.00 C ATOM 1494 O SER A 98 5.033 -4.200 -10.113 1.00 0.00 O ATOM 1495 CB SER A 98 4.755 -4.282 -6.945 1.00 0.00 C ATOM 1496 OG SER A 98 5.886 -3.433 -7.121 1.00 0.00 O ATOM 0 H SER A 98 6.724 -5.588 -7.734 1.00 0.00 H new ATOM 0 HA SER A 98 3.928 -6.090 -7.723 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.846 -3.680 -6.950 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.813 -4.765 -5.970 1.00 0.00 H new ATOM 0 HG SER A 98 5.908 -2.764 -6.405 1.00 0.00 H new ATOM 1502 N ARG A 99 2.912 -4.791 -9.595 1.00 0.00 N ATOM 1503 CA ARG A 99 2.342 -4.236 -10.811 1.00 0.00 C ATOM 1504 C ARG A 99 1.529 -2.980 -10.490 1.00 0.00 C ATOM 1505 O ARG A 99 0.914 -2.889 -9.429 1.00 0.00 O ATOM 1506 CB ARG A 99 1.440 -5.254 -11.512 1.00 0.00 C ATOM 1507 CG ARG A 99 0.177 -5.523 -10.692 1.00 0.00 C ATOM 1508 CD ARG A 99 -1.043 -4.855 -11.329 1.00 0.00 C ATOM 1509 NE ARG A 99 -2.016 -5.884 -11.758 1.00 0.00 N ATOM 1510 CZ ARG A 99 -3.051 -5.645 -12.576 1.00 0.00 C ATOM 1511 NH1 ARG A 99 -3.253 -4.411 -13.058 1.00 0.00 N ATOM 1512 NH2 ARG A 99 -3.883 -6.639 -12.913 1.00 0.00 N ATOM 0 H ARG A 99 2.236 -5.224 -8.966 1.00 0.00 H new ATOM 0 HA ARG A 99 3.166 -3.980 -11.477 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.165 -4.882 -12.499 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.985 -6.186 -11.663 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.010 -6.597 -10.617 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.312 -5.150 -9.677 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -1.510 -4.176 -10.616 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -0.734 -4.255 -12.185 1.00 0.00 H new ATOM 0 HE ARG A 99 -1.891 -6.835 -11.410 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -2.619 -3.654 -12.803 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -4.040 -4.229 -13.680 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -3.729 -7.579 -12.547 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -4.670 -6.456 -13.535 1.00 0.00 H new ATOM 1526 N ILE A 100 1.553 -2.043 -11.427 1.00 0.00 N ATOM 1527 CA ILE A 100 0.826 -0.797 -11.257 1.00 0.00 C ATOM 1528 C ILE A 100 -0.441 -0.830 -12.113 1.00 0.00 C ATOM 1529 O ILE A 100 -0.366 -0.934 -13.337 1.00 0.00 O ATOM 1530 CB ILE A 100 1.735 0.398 -11.551 1.00 0.00 C ATOM 1531 CG1 ILE A 100 2.781 0.576 -10.449 1.00 0.00 C ATOM 1532 CG2 ILE A 100 0.914 1.670 -11.773 1.00 0.00 C ATOM 1533 CD1 ILE A 100 2.125 1.006 -9.135 1.00 0.00 C ATOM 0 H ILE A 100 2.064 -2.122 -12.306 1.00 0.00 H new ATOM 0 HA ILE A 100 0.509 -0.680 -10.221 1.00 0.00 H new ATOM 0 HB ILE A 100 2.274 0.197 -12.477 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.321 -0.359 -10.301 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.514 1.323 -10.755 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.584 2.504 -11.980 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.242 1.526 -12.619 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.330 1.887 -10.878 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.890 1.126 -8.368 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.606 1.953 -9.280 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.411 0.246 -8.819 1.00 0.00 H new ATOM 1545 N ASP A 101 -1.577 -0.740 -11.436 1.00 0.00 N ATOM 1546 CA ASP A 101 -2.859 -0.759 -12.120 1.00 0.00 C ATOM 1547 C ASP A 101 -3.313 0.678 -12.382 1.00 0.00 C ATOM 1548 O ASP A 101 -3.415 1.480 -11.455 1.00 0.00 O ATOM 1549 CB ASP A 101 -3.928 -1.445 -11.266 1.00 0.00 C ATOM 1550 CG ASP A 101 -3.794 -1.220 -9.759 1.00 0.00 C ATOM 1551 OD1 ASP A 101 -3.044 -0.292 -9.388 1.00 0.00 O ATOM 1552 OD2 ASP A 101 -4.445 -1.982 -9.012 1.00 0.00 O ATOM 0 H ASP A 101 -1.636 -0.654 -10.421 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.736 -1.308 -13.054 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -4.908 -1.092 -11.585 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.896 -2.517 -11.462 1.00 0.00 H new ATOM 1557 N MET A 102 -3.575 0.960 -13.650 1.00 0.00 N ATOM 1558 CA MET A 102 -4.016 2.287 -14.046 1.00 0.00 C ATOM 1559 C MET A 102 -5.505 2.479 -13.754 1.00 0.00 C ATOM 1560 O MET A 102 -6.355 2.083 -14.550 1.00 0.00 O ATOM 1561 CB MET A 102 -3.760 2.485 -15.541 1.00 0.00 C ATOM 1562 CG MET A 102 -2.973 3.772 -15.797 1.00 0.00 C ATOM 1563 SD MET A 102 -4.027 5.191 -15.544 1.00 0.00 S ATOM 1564 CE MET A 102 -3.117 6.027 -14.256 1.00 0.00 C ATOM 0 H MET A 102 -3.490 0.292 -14.416 1.00 0.00 H new ATOM 0 HA MET A 102 -3.454 3.023 -13.471 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.207 1.632 -15.935 1.00 0.00 H new ATOM 0 HB3 MET A 102 -4.710 2.523 -16.074 1.00 0.00 H new ATOM 0 HG2 MET A 102 -2.114 3.822 -15.128 1.00 0.00 H new ATOM 0 HG3 MET A 102 -2.584 3.774 -16.815 1.00 0.00 H new ATOM 0 HE1 MET A 102 -3.741 6.806 -13.817 1.00 0.00 H new ATOM 0 HE2 MET A 102 -2.835 5.310 -13.485 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.219 6.477 -14.679 1.00 0.00 H new ATOM 1574 N PHE A 103 -5.777 3.087 -12.608 1.00 0.00 N ATOM 1575 CA PHE A 103 -7.149 3.337 -12.201 1.00 0.00 C ATOM 1576 C PHE A 103 -7.704 4.589 -12.883 1.00 0.00 C ATOM 1577 O PHE A 103 -6.944 5.440 -13.341 1.00 0.00 O ATOM 1578 CB PHE A 103 -7.132 3.562 -10.687 1.00 0.00 C ATOM 1579 CG PHE A 103 -8.423 3.141 -9.981 1.00 0.00 C ATOM 1580 CD1 PHE A 103 -8.586 1.854 -9.573 1.00 0.00 C ATOM 1581 CD2 PHE A 103 -9.407 4.054 -9.762 1.00 0.00 C ATOM 1582 CE1 PHE A 103 -9.784 1.463 -8.918 1.00 0.00 C ATOM 1583 CE2 PHE A 103 -10.604 3.663 -9.107 1.00 0.00 C ATOM 1584 CZ PHE A 103 -10.768 2.376 -8.699 1.00 0.00 C ATOM 0 H PHE A 103 -5.070 3.414 -11.949 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.780 2.493 -12.481 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.298 3.008 -10.257 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.949 4.618 -10.489 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.804 1.129 -9.747 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -9.278 5.076 -10.086 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.914 0.441 -8.594 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -11.385 4.388 -8.932 1.00 0.00 H new ATOM 0 HZ PHE A 103 -11.679 2.079 -8.201 1.00 0.00 H new ATOM 1594 N LYS A 104 -9.027 4.661 -12.930 1.00 0.00 N ATOM 1595 CA LYS A 104 -9.693 5.794 -13.549 1.00 0.00 C ATOM 1596 C LYS A 104 -8.950 7.080 -13.182 1.00 0.00 C ATOM 1597 O LYS A 104 -9.174 7.647 -12.113 1.00 0.00 O ATOM 1598 CB LYS A 104 -11.177 5.813 -13.176 1.00 0.00 C ATOM 1599 CG LYS A 104 -11.361 5.753 -11.658 1.00 0.00 C ATOM 1600 CD LYS A 104 -12.639 6.478 -11.232 1.00 0.00 C ATOM 1601 CE LYS A 104 -13.304 5.769 -10.051 1.00 0.00 C ATOM 1602 NZ LYS A 104 -14.771 5.961 -10.091 1.00 0.00 N ATOM 0 H LYS A 104 -9.655 3.953 -12.549 1.00 0.00 H new ATOM 0 HA LYS A 104 -9.662 5.707 -14.635 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.642 6.718 -13.567 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.684 4.967 -13.641 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -11.403 4.713 -11.334 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -10.500 6.206 -11.166 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -12.404 7.506 -10.958 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -13.333 6.523 -12.071 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -13.070 4.705 -10.079 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -12.906 6.158 -9.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -15.207 5.473 -9.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -14.990 6.977 -10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -15.149 5.568 -10.977 1.00 0.00 H new ATOM 1616 N GLY A 105 -8.081 7.503 -14.088 1.00 0.00 N ATOM 1617 CA GLY A 105 -7.304 8.712 -13.872 1.00 0.00 C ATOM 1618 C GLY A 105 -6.459 8.601 -12.601 1.00 0.00 C ATOM 1619 O GLY A 105 -6.516 9.474 -11.736 1.00 0.00 O ATOM 0 H GLY A 105 -7.898 7.030 -14.973 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.655 8.890 -14.730 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -7.973 9.569 -13.795 1.00 0.00 H new ATOM 1623 N THR A 106 -5.695 7.521 -12.529 1.00 0.00 N ATOM 1624 CA THR A 106 -4.840 7.285 -11.378 1.00 0.00 C ATOM 1625 C THR A 106 -4.275 5.864 -11.417 1.00 0.00 C ATOM 1626 O THR A 106 -4.577 5.096 -12.329 1.00 0.00 O ATOM 1627 CB THR A 106 -5.653 7.581 -10.116 1.00 0.00 C ATOM 1628 OG1 THR A 106 -5.208 6.604 -9.179 1.00 0.00 O ATOM 1629 CG2 THR A 106 -7.141 7.277 -10.293 1.00 0.00 C ATOM 0 H THR A 106 -5.650 6.800 -13.249 1.00 0.00 H new ATOM 0 HA THR A 106 -3.974 7.947 -11.386 1.00 0.00 H new ATOM 0 HB THR A 106 -5.527 8.628 -9.841 1.00 0.00 H new ATOM 0 HG1 THR A 106 -4.579 7.016 -8.550 1.00 0.00 H new ATOM 0 HG21 THR A 106 -7.671 7.505 -9.368 1.00 0.00 H new ATOM 0 HG22 THR A 106 -7.543 7.887 -11.102 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.271 6.222 -10.535 1.00 0.00 H new ATOM 1637 N MET A 107 -3.464 5.556 -10.415 1.00 0.00 N ATOM 1638 CA MET A 107 -2.853 4.241 -10.323 1.00 0.00 C ATOM 1639 C MET A 107 -2.662 3.826 -8.862 1.00 0.00 C ATOM 1640 O MET A 107 -2.636 4.674 -7.971 1.00 0.00 O ATOM 1641 CB MET A 107 -1.498 4.256 -11.031 1.00 0.00 C ATOM 1642 CG MET A 107 -0.503 5.154 -10.292 1.00 0.00 C ATOM 1643 SD MET A 107 0.676 4.155 -9.400 1.00 0.00 S ATOM 1644 CE MET A 107 0.928 5.182 -7.962 1.00 0.00 C ATOM 0 H MET A 107 -3.216 6.195 -9.660 1.00 0.00 H new ATOM 0 HA MET A 107 -3.515 3.520 -10.803 1.00 0.00 H new ATOM 0 HB2 MET A 107 -1.103 3.242 -11.090 1.00 0.00 H new ATOM 0 HB3 MET A 107 -1.622 4.610 -12.054 1.00 0.00 H new ATOM 0 HG2 MET A 107 0.017 5.797 -11.003 1.00 0.00 H new ATOM 0 HG3 MET A 107 -1.035 5.808 -9.601 1.00 0.00 H new ATOM 0 HE1 MET A 107 1.437 4.607 -7.189 1.00 0.00 H new ATOM 0 HE2 MET A 107 1.537 6.044 -8.233 1.00 0.00 H new ATOM 0 HE3 MET A 107 -0.036 5.523 -7.585 1.00 0.00 H new ATOM 1654 N ARG A 108 -2.534 2.523 -8.663 1.00 0.00 N ATOM 1655 CA ARG A 108 -2.345 1.986 -7.326 1.00 0.00 C ATOM 1656 C ARG A 108 -1.272 0.896 -7.338 1.00 0.00 C ATOM 1657 O ARG A 108 -0.871 0.427 -8.402 1.00 0.00 O ATOM 1658 CB ARG A 108 -3.649 1.402 -6.778 1.00 0.00 C ATOM 1659 CG ARG A 108 -4.738 2.474 -6.696 1.00 0.00 C ATOM 1660 CD ARG A 108 -4.504 3.402 -5.502 1.00 0.00 C ATOM 1661 NE ARG A 108 -5.770 4.068 -5.123 1.00 0.00 N ATOM 1662 CZ ARG A 108 -6.283 5.127 -5.763 1.00 0.00 C ATOM 1663 NH1 ARG A 108 -5.642 5.648 -6.817 1.00 0.00 N ATOM 1664 NH2 ARG A 108 -7.438 5.666 -5.348 1.00 0.00 N ATOM 0 H ARG A 108 -2.557 1.823 -9.405 1.00 0.00 H new ATOM 0 HA ARG A 108 -2.028 2.806 -6.681 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -3.984 0.586 -7.419 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -3.475 0.979 -5.789 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -4.750 3.057 -7.617 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.715 1.999 -6.606 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -4.117 2.831 -4.658 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -3.751 4.149 -5.754 1.00 0.00 H new ATOM 0 HE ARG A 108 -6.284 3.697 -4.324 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -4.763 5.238 -7.133 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -6.033 6.454 -7.304 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -7.926 5.270 -4.545 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.829 6.472 -5.835 1.00 0.00 H new ATOM 1678 N LEU A 109 -0.838 0.524 -6.143 1.00 0.00 N ATOM 1679 CA LEU A 109 0.181 -0.502 -6.003 1.00 0.00 C ATOM 1680 C LEU A 109 -0.492 -1.855 -5.763 1.00 0.00 C ATOM 1681 O LEU A 109 -1.476 -1.941 -5.029 1.00 0.00 O ATOM 1682 CB LEU A 109 1.186 -0.115 -4.916 1.00 0.00 C ATOM 1683 CG LEU A 109 2.517 -0.870 -4.932 1.00 0.00 C ATOM 1684 CD1 LEU A 109 3.247 -0.665 -6.261 1.00 0.00 C ATOM 1685 CD2 LEU A 109 3.384 -0.478 -3.734 1.00 0.00 C ATOM 0 H LEU A 109 -1.174 0.915 -5.263 1.00 0.00 H new ATOM 0 HA LEU A 109 0.759 -0.591 -6.923 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.395 0.951 -5.005 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.716 -0.267 -3.944 1.00 0.00 H new ATOM 0 HG LEU A 109 2.307 -1.936 -4.841 1.00 0.00 H new ATOM 0 HD11 LEU A 109 4.190 -1.212 -6.246 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.626 -1.034 -7.078 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.446 0.397 -6.407 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.324 -1.029 -3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.589 0.592 -3.768 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.858 -0.718 -2.810 1.00 0.00 H new ATOM 1697 N GLY A 110 0.063 -2.877 -6.397 1.00 0.00 N ATOM 1698 CA GLY A 110 -0.471 -4.222 -6.262 1.00 0.00 C ATOM 1699 C GLY A 110 0.585 -5.270 -6.616 1.00 0.00 C ATOM 1700 O GLY A 110 1.641 -4.936 -7.150 1.00 0.00 O ATOM 0 H GLY A 110 0.878 -2.801 -7.006 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.816 -4.379 -5.240 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -1.338 -4.340 -6.913 1.00 0.00 H new ATOM 1704 N VAL A 111 0.263 -6.517 -6.303 1.00 0.00 N ATOM 1705 CA VAL A 111 1.171 -7.616 -6.581 1.00 0.00 C ATOM 1706 C VAL A 111 0.415 -8.723 -7.319 1.00 0.00 C ATOM 1707 O VAL A 111 -0.581 -9.241 -6.815 1.00 0.00 O ATOM 1708 CB VAL A 111 1.822 -8.099 -5.283 1.00 0.00 C ATOM 1709 CG1 VAL A 111 2.234 -9.569 -5.390 1.00 0.00 C ATOM 1710 CG2 VAL A 111 3.017 -7.221 -4.909 1.00 0.00 C ATOM 0 H VAL A 111 -0.614 -6.790 -5.860 1.00 0.00 H new ATOM 0 HA VAL A 111 1.981 -7.286 -7.232 1.00 0.00 H new ATOM 0 HB VAL A 111 1.083 -8.015 -4.486 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.694 -9.887 -4.454 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.353 -10.180 -5.588 1.00 0.00 H new ATOM 0 HG13 VAL A 111 2.949 -9.688 -6.204 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.461 -7.586 -3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.759 -7.258 -5.706 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.684 -6.192 -4.771 1.00 0.00 H new ATOM 1720 N ASP A 112 0.916 -9.053 -8.500 1.00 0.00 N ATOM 1721 CA ASP A 112 0.300 -10.089 -9.311 1.00 0.00 C ATOM 1722 C ASP A 112 0.624 -11.460 -8.714 1.00 0.00 C ATOM 1723 O ASP A 112 1.374 -11.556 -7.743 1.00 0.00 O ATOM 1724 CB ASP A 112 0.836 -10.059 -10.744 1.00 0.00 C ATOM 1725 CG ASP A 112 -0.180 -9.633 -11.806 1.00 0.00 C ATOM 1726 OD1 ASP A 112 -1.247 -9.125 -11.399 1.00 0.00 O ATOM 1727 OD2 ASP A 112 0.135 -9.824 -13.000 1.00 0.00 O ATOM 0 H ASP A 112 1.742 -8.621 -8.915 1.00 0.00 H new ATOM 0 HA ASP A 112 -0.775 -9.911 -9.324 1.00 0.00 H new ATOM 0 HB2 ASP A 112 1.687 -9.379 -10.783 1.00 0.00 H new ATOM 0 HB3 ASP A 112 1.209 -11.051 -10.997 1.00 0.00 H new ATOM 1732 N LYS A 113 0.044 -12.486 -9.319 1.00 0.00 N ATOM 1733 CA LYS A 113 0.263 -13.847 -8.859 1.00 0.00 C ATOM 1734 C LYS A 113 1.736 -14.213 -9.045 1.00 0.00 C ATOM 1735 O LYS A 113 2.240 -15.126 -8.392 1.00 0.00 O ATOM 1736 CB LYS A 113 -0.703 -14.809 -9.554 1.00 0.00 C ATOM 1737 CG LYS A 113 -0.481 -14.809 -11.068 1.00 0.00 C ATOM 1738 CD LYS A 113 -1.175 -16.005 -11.724 1.00 0.00 C ATOM 1739 CE LYS A 113 -0.252 -17.225 -11.755 1.00 0.00 C ATOM 1740 NZ LYS A 113 -0.864 -18.356 -11.022 1.00 0.00 N ATOM 0 H LYS A 113 -0.577 -12.402 -10.124 1.00 0.00 H new ATOM 0 HA LYS A 113 0.047 -13.929 -7.794 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -0.563 -15.817 -9.162 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -1.731 -14.521 -9.333 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -0.864 -13.882 -11.495 1.00 0.00 H new ATOM 0 HG3 LYS A 113 0.587 -14.841 -11.283 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -2.086 -16.247 -11.176 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -1.474 -15.745 -12.739 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -0.058 -17.515 -12.787 1.00 0.00 H new ATOM 0 HE3 LYS A 113 0.710 -16.972 -11.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -0.225 -19.176 -11.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -1.027 -18.081 -10.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -1.771 -18.607 -11.465 1.00 0.00 H new ATOM 1754 N TRP A 114 2.386 -13.483 -9.939 1.00 0.00 N ATOM 1755 CA TRP A 114 3.792 -13.719 -10.219 1.00 0.00 C ATOM 1756 C TRP A 114 4.614 -12.757 -9.359 1.00 0.00 C ATOM 1757 O TRP A 114 5.739 -12.407 -9.715 1.00 0.00 O ATOM 1758 CB TRP A 114 4.084 -13.583 -11.715 1.00 0.00 C ATOM 1759 CG TRP A 114 3.081 -14.308 -12.613 1.00 0.00 C ATOM 1760 CD1 TRP A 114 1.950 -13.824 -13.146 1.00 0.00 C ATOM 1761 CD2 TRP A 114 3.164 -15.676 -13.065 1.00 0.00 C ATOM 1762 NE1 TRP A 114 1.301 -14.777 -13.905 1.00 0.00 N ATOM 1763 CE2 TRP A 114 2.062 -15.938 -13.855 1.00 0.00 C ATOM 1764 CE3 TRP A 114 4.137 -16.659 -12.816 1.00 0.00 C ATOM 1765 CZ2 TRP A 114 1.830 -17.180 -14.459 1.00 0.00 C ATOM 1766 CZ3 TRP A 114 3.890 -17.895 -13.426 1.00 0.00 C ATOM 1767 CH2 TRP A 114 2.787 -18.175 -14.224 1.00 0.00 C ATOM 0 H TRP A 114 1.965 -12.727 -10.479 1.00 0.00 H new ATOM 0 HA TRP A 114 4.070 -14.741 -9.960 1.00 0.00 H new ATOM 0 HB2 TRP A 114 4.093 -12.525 -11.978 1.00 0.00 H new ATOM 0 HB3 TRP A 114 5.083 -13.970 -11.916 1.00 0.00 H new ATOM 0 HD1 TRP A 114 1.592 -12.816 -13.000 1.00 0.00 H new ATOM 0 HE1 TRP A 114 0.424 -14.652 -14.410 1.00 0.00 H new ATOM 0 HE3 TRP A 114 5.007 -16.476 -12.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 0.960 -17.361 -15.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 4.607 -18.686 -13.265 1.00 0.00 H new ATOM 0 HH2 TRP A 114 2.669 -19.156 -14.661 1.00 0.00 H new ATOM 1778 N GLY A 115 4.021 -12.356 -8.244 1.00 0.00 N ATOM 1779 CA GLY A 115 4.685 -11.441 -7.331 1.00 0.00 C ATOM 1780 C GLY A 115 4.378 -11.800 -5.876 1.00 0.00 C ATOM 1781 O GLY A 115 3.280 -12.261 -5.565 1.00 0.00 O ATOM 0 H GLY A 115 3.088 -12.648 -7.952 1.00 0.00 H new ATOM 0 HA2 GLY A 115 5.762 -11.473 -7.498 1.00 0.00 H new ATOM 0 HA3 GLY A 115 4.361 -10.420 -7.534 1.00 0.00 H new ATOM 1785 N ARG A 116 5.367 -11.575 -5.023 1.00 0.00 N ATOM 1786 CA ARG A 116 5.216 -11.869 -3.608 1.00 0.00 C ATOM 1787 C ARG A 116 5.856 -10.765 -2.765 1.00 0.00 C ATOM 1788 O ARG A 116 6.752 -10.063 -3.232 1.00 0.00 O ATOM 1789 CB ARG A 116 5.860 -13.211 -3.253 1.00 0.00 C ATOM 1790 CG ARG A 116 7.330 -13.243 -3.677 1.00 0.00 C ATOM 1791 CD ARG A 116 8.240 -13.529 -2.481 1.00 0.00 C ATOM 1792 NE ARG A 116 8.675 -14.944 -2.503 1.00 0.00 N ATOM 1793 CZ ARG A 116 9.272 -15.562 -1.476 1.00 0.00 C ATOM 1794 NH1 ARG A 116 9.509 -14.895 -0.338 1.00 0.00 N ATOM 1795 NH2 ARG A 116 9.633 -16.848 -1.586 1.00 0.00 N ATOM 0 H ARG A 116 6.276 -11.193 -5.285 1.00 0.00 H new ATOM 0 HA ARG A 116 4.149 -11.922 -3.392 1.00 0.00 H new ATOM 0 HB2 ARG A 116 5.784 -13.382 -2.179 1.00 0.00 H new ATOM 0 HB3 ARG A 116 5.318 -14.020 -3.744 1.00 0.00 H new ATOM 0 HG2 ARG A 116 7.475 -14.008 -4.440 1.00 0.00 H new ATOM 0 HG3 ARG A 116 7.603 -12.288 -4.126 1.00 0.00 H new ATOM 0 HD2 ARG A 116 9.109 -12.872 -2.510 1.00 0.00 H new ATOM 0 HD3 ARG A 116 7.711 -13.317 -1.552 1.00 0.00 H new ATOM 0 HE ARG A 116 8.510 -15.482 -3.354 1.00 0.00 H new ATOM 0 HH11 ARG A 116 9.235 -13.916 -0.254 1.00 0.00 H new ATOM 0 HH12 ARG A 116 9.964 -15.366 0.444 1.00 0.00 H new ATOM 0 HH21 ARG A 116 9.453 -17.356 -2.452 1.00 0.00 H new ATOM 0 HH22 ARG A 116 10.088 -17.319 -0.804 1.00 0.00 H new ATOM 1809 N ILE A 117 5.372 -10.644 -1.538 1.00 0.00 N ATOM 1810 CA ILE A 117 5.885 -9.637 -0.626 1.00 0.00 C ATOM 1811 C ILE A 117 7.227 -10.105 -0.059 1.00 0.00 C ATOM 1812 O ILE A 117 7.503 -11.303 -0.017 1.00 0.00 O ATOM 1813 CB ILE A 117 4.846 -9.305 0.447 1.00 0.00 C ATOM 1814 CG1 ILE A 117 3.581 -8.715 -0.179 1.00 0.00 C ATOM 1815 CG2 ILE A 117 5.438 -8.387 1.518 1.00 0.00 C ATOM 1816 CD1 ILE A 117 2.686 -8.081 0.887 1.00 0.00 C ATOM 0 H ILE A 117 4.629 -11.228 -1.154 1.00 0.00 H new ATOM 0 HA ILE A 117 6.070 -8.703 -1.156 1.00 0.00 H new ATOM 0 HB ILE A 117 4.558 -10.232 0.942 1.00 0.00 H new ATOM 0 HG12 ILE A 117 3.854 -7.966 -0.922 1.00 0.00 H new ATOM 0 HG13 ILE A 117 3.031 -9.497 -0.702 1.00 0.00 H new ATOM 0 HG21 ILE A 117 4.679 -8.167 2.268 1.00 0.00 H new ATOM 0 HG22 ILE A 117 6.285 -8.882 1.993 1.00 0.00 H new ATOM 0 HG23 ILE A 117 5.772 -7.458 1.056 1.00 0.00 H new ATOM 0 HD11 ILE A 117 1.794 -7.669 0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 117 2.395 -8.838 1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 117 3.231 -7.283 1.392 1.00 0.00 H new ATOM 1828 N GLU A 118 8.025 -9.136 0.364 1.00 0.00 N ATOM 1829 CA GLU A 118 9.331 -9.435 0.928 1.00 0.00 C ATOM 1830 C GLU A 118 9.259 -9.450 2.456 1.00 0.00 C ATOM 1831 O GLU A 118 9.613 -10.445 3.087 1.00 0.00 O ATOM 1832 CB GLU A 118 10.380 -8.435 0.438 1.00 0.00 C ATOM 1833 CG GLU A 118 11.644 -8.502 1.298 1.00 0.00 C ATOM 1834 CD GLU A 118 12.877 -8.789 0.438 1.00 0.00 C ATOM 1835 OE1 GLU A 118 13.371 -7.825 -0.185 1.00 0.00 O ATOM 1836 OE2 GLU A 118 13.298 -9.966 0.425 1.00 0.00 O ATOM 0 H GLU A 118 7.793 -8.143 0.328 1.00 0.00 H new ATOM 0 HA GLU A 118 9.634 -10.426 0.589 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.631 -8.646 -0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 118 9.968 -7.426 0.468 1.00 0.00 H new ATOM 0 HG2 GLU A 118 11.778 -7.559 1.829 1.00 0.00 H new ATOM 0 HG3 GLU A 118 11.534 -9.280 2.053 1.00 0.00 H new ATOM 1843 N ALA A 119 8.798 -8.337 3.006 1.00 0.00 N ATOM 1844 CA ALA A 119 8.675 -8.210 4.448 1.00 0.00 C ATOM 1845 C ALA A 119 10.021 -7.782 5.035 1.00 0.00 C ATOM 1846 O ALA A 119 10.527 -8.413 5.962 1.00 0.00 O ATOM 1847 CB ALA A 119 8.176 -9.532 5.036 1.00 0.00 C ATOM 0 H ALA A 119 8.505 -7.514 2.479 1.00 0.00 H new ATOM 0 HA ALA A 119 7.945 -7.442 4.705 1.00 0.00 H new ATOM 0 HB1 ALA A 119 8.084 -9.437 6.118 1.00 0.00 H new ATOM 0 HB2 ALA A 119 7.203 -9.776 4.609 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.885 -10.326 4.801 1.00 0.00 H new ATOM 1853 N THR A 120 10.564 -6.714 4.471 1.00 0.00 N ATOM 1854 CA THR A 120 11.842 -6.194 4.926 1.00 0.00 C ATOM 1855 C THR A 120 11.929 -6.254 6.453 1.00 0.00 C ATOM 1856 O THR A 120 12.876 -6.814 7.003 1.00 0.00 O ATOM 1857 CB THR A 120 12.006 -4.781 4.363 1.00 0.00 C ATOM 1858 OG1 THR A 120 13.000 -4.189 5.195 1.00 0.00 O ATOM 1859 CG2 THR A 120 10.766 -3.913 4.590 1.00 0.00 C ATOM 0 H THR A 120 10.142 -6.194 3.702 1.00 0.00 H new ATOM 0 HA THR A 120 12.669 -6.803 4.560 1.00 0.00 H new ATOM 0 HB THR A 120 12.219 -4.838 3.296 1.00 0.00 H new ATOM 0 HG1 THR A 120 13.170 -3.270 4.899 1.00 0.00 H new ATOM 0 HG21 THR A 120 10.935 -2.921 4.172 1.00 0.00 H new ATOM 0 HG22 THR A 120 9.906 -4.371 4.101 1.00 0.00 H new ATOM 0 HG23 THR A 120 10.572 -3.828 5.659 1.00 0.00 H new ATOM 1867 N GLY A 121 10.928 -5.669 7.094 1.00 0.00 N ATOM 1868 CA GLY A 121 10.879 -5.649 8.546 1.00 0.00 C ATOM 1869 C GLY A 121 10.375 -4.298 9.058 1.00 0.00 C ATOM 1870 O GLY A 121 9.206 -4.162 9.414 1.00 0.00 O ATOM 0 H GLY A 121 10.144 -5.205 6.634 1.00 0.00 H new ATOM 0 HA2 GLY A 121 10.225 -6.444 8.903 1.00 0.00 H new ATOM 0 HA3 GLY A 121 11.872 -5.848 8.950 1.00 0.00 H new ATOM 1874 N ALA A 122 11.283 -3.333 9.080 1.00 0.00 N ATOM 1875 CA ALA A 122 10.946 -1.998 9.544 1.00 0.00 C ATOM 1876 C ALA A 122 11.522 -0.965 8.573 1.00 0.00 C ATOM 1877 O ALA A 122 12.515 -1.230 7.897 1.00 0.00 O ATOM 1878 CB ALA A 122 11.461 -1.808 10.972 1.00 0.00 C ATOM 0 H ALA A 122 12.252 -3.449 8.784 1.00 0.00 H new ATOM 0 HA ALA A 122 9.865 -1.861 9.567 1.00 0.00 H new ATOM 0 HB1 ALA A 122 11.208 -0.806 11.320 1.00 0.00 H new ATOM 0 HB2 ALA A 122 10.999 -2.547 11.627 1.00 0.00 H new ATOM 0 HB3 ALA A 122 12.543 -1.935 10.988 1.00 0.00 H new ATOM 1884 N ALA A 123 10.875 0.190 8.535 1.00 0.00 N ATOM 1885 CA ALA A 123 11.311 1.264 7.659 1.00 0.00 C ATOM 1886 C ALA A 123 12.123 2.278 8.467 1.00 0.00 C ATOM 1887 O ALA A 123 11.796 2.565 9.617 1.00 0.00 O ATOM 1888 CB ALA A 123 10.093 1.898 6.984 1.00 0.00 C ATOM 0 H ALA A 123 10.052 0.406 9.097 1.00 0.00 H new ATOM 0 HA ALA A 123 11.957 0.878 6.871 1.00 0.00 H new ATOM 0 HB1 ALA A 123 10.420 2.704 6.327 1.00 0.00 H new ATOM 0 HB2 ALA A 123 9.567 1.143 6.399 1.00 0.00 H new ATOM 0 HB3 ALA A 123 9.423 2.299 7.745 1.00 0.00 H new ATOM 1894 N SER A 124 13.167 2.792 7.833 1.00 0.00 N ATOM 1895 CA SER A 124 14.028 3.768 8.478 1.00 0.00 C ATOM 1896 C SER A 124 13.697 5.174 7.974 1.00 0.00 C ATOM 1897 O SER A 124 14.471 6.108 8.175 1.00 0.00 O ATOM 1898 CB SER A 124 15.504 3.449 8.229 1.00 0.00 C ATOM 1899 OG SER A 124 16.300 3.664 9.392 1.00 0.00 O ATOM 0 H SER A 124 13.436 2.551 6.879 1.00 0.00 H new ATOM 0 HA SER A 124 13.850 3.724 9.552 1.00 0.00 H new ATOM 0 HB2 SER A 124 15.602 2.412 7.909 1.00 0.00 H new ATOM 0 HB3 SER A 124 15.877 4.070 7.414 1.00 0.00 H new ATOM 0 HG SER A 124 17.235 3.448 9.193 1.00 0.00 H new ATOM 1905 N PHE A 125 12.544 5.279 7.328 1.00 0.00 N ATOM 1906 CA PHE A 125 12.101 6.556 6.794 1.00 0.00 C ATOM 1907 C PHE A 125 10.673 6.872 7.244 1.00 0.00 C ATOM 1908 O PHE A 125 9.911 5.968 7.583 1.00 0.00 O ATOM 1909 CB PHE A 125 12.128 6.436 5.269 1.00 0.00 C ATOM 1910 CG PHE A 125 11.339 5.243 4.725 1.00 0.00 C ATOM 1911 CD1 PHE A 125 9.982 5.223 4.821 1.00 0.00 C ATOM 1912 CD2 PHE A 125 11.994 4.202 4.144 1.00 0.00 C ATOM 1913 CE1 PHE A 125 9.250 4.116 4.316 1.00 0.00 C ATOM 1914 CE2 PHE A 125 11.262 3.095 3.639 1.00 0.00 C ATOM 1915 CZ PHE A 125 9.906 3.076 3.736 1.00 0.00 C ATOM 0 H PHE A 125 11.904 4.502 7.163 1.00 0.00 H new ATOM 0 HA PHE A 125 12.751 7.355 7.151 1.00 0.00 H new ATOM 0 HB2 PHE A 125 11.727 7.352 4.835 1.00 0.00 H new ATOM 0 HB3 PHE A 125 13.164 6.354 4.939 1.00 0.00 H new ATOM 0 HD1 PHE A 125 9.461 6.050 5.282 1.00 0.00 H new ATOM 0 HD2 PHE A 125 13.071 4.217 4.067 1.00 0.00 H new ATOM 0 HE1 PHE A 125 8.173 4.100 4.393 1.00 0.00 H new ATOM 0 HE2 PHE A 125 11.782 2.268 3.178 1.00 0.00 H new ATOM 0 HZ PHE A 125 9.349 2.234 3.352 1.00 0.00 H new ATOM 1925 N THR A 126 10.353 8.158 7.231 1.00 0.00 N ATOM 1926 CA THR A 126 9.031 8.604 7.633 1.00 0.00 C ATOM 1927 C THR A 126 8.155 8.855 6.404 1.00 0.00 C ATOM 1928 O THR A 126 8.386 9.803 5.656 1.00 0.00 O ATOM 1929 CB THR A 126 9.198 9.839 8.522 1.00 0.00 C ATOM 1930 OG1 THR A 126 9.973 9.372 9.623 1.00 0.00 O ATOM 1931 CG2 THR A 126 7.880 10.286 9.156 1.00 0.00 C ATOM 0 H THR A 126 10.987 8.905 6.948 1.00 0.00 H new ATOM 0 HA THR A 126 8.514 7.837 8.210 1.00 0.00 H new ATOM 0 HB THR A 126 9.613 10.657 7.933 1.00 0.00 H new ATOM 0 HG1 THR A 126 10.130 10.110 10.249 1.00 0.00 H new ATOM 0 HG21 THR A 126 8.054 11.165 9.776 1.00 0.00 H new ATOM 0 HG22 THR A 126 7.164 10.531 8.372 1.00 0.00 H new ATOM 0 HG23 THR A 126 7.481 9.480 9.772 1.00 0.00 H new ATOM 1939 N VAL A 127 7.169 7.987 6.233 1.00 0.00 N ATOM 1940 CA VAL A 127 6.258 8.102 5.107 1.00 0.00 C ATOM 1941 C VAL A 127 5.602 9.484 5.126 1.00 0.00 C ATOM 1942 O VAL A 127 5.250 9.994 6.189 1.00 0.00 O ATOM 1943 CB VAL A 127 5.242 6.958 5.137 1.00 0.00 C ATOM 1944 CG1 VAL A 127 4.085 7.228 4.173 1.00 0.00 C ATOM 1945 CG2 VAL A 127 5.914 5.620 4.826 1.00 0.00 C ATOM 0 H VAL A 127 6.981 7.201 6.855 1.00 0.00 H new ATOM 0 HA VAL A 127 6.801 8.013 4.166 1.00 0.00 H new ATOM 0 HB VAL A 127 4.832 6.900 6.145 1.00 0.00 H new ATOM 0 HG11 VAL A 127 3.377 6.400 4.213 1.00 0.00 H new ATOM 0 HG12 VAL A 127 3.581 8.151 4.459 1.00 0.00 H new ATOM 0 HG13 VAL A 127 4.472 7.325 3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 127 5.170 4.824 4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 127 6.365 5.661 3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 127 6.687 5.420 5.568 1.00 0.00 H new ATOM 1955 N LYS A 128 5.458 10.052 3.938 1.00 0.00 N ATOM 1956 CA LYS A 128 4.851 11.366 3.805 1.00 0.00 C ATOM 1957 C LYS A 128 3.402 11.208 3.338 1.00 0.00 C ATOM 1958 O LYS A 128 3.151 10.887 2.178 1.00 0.00 O ATOM 1959 CB LYS A 128 5.697 12.257 2.893 1.00 0.00 C ATOM 1960 CG LYS A 128 4.926 13.515 2.488 1.00 0.00 C ATOM 1961 CD LYS A 128 5.783 14.421 1.600 1.00 0.00 C ATOM 1962 CE LYS A 128 5.374 14.293 0.131 1.00 0.00 C ATOM 1963 NZ LYS A 128 5.042 15.621 -0.432 1.00 0.00 N ATOM 0 H LYS A 128 5.751 9.627 3.058 1.00 0.00 H new ATOM 0 HA LYS A 128 4.823 11.872 4.770 1.00 0.00 H new ATOM 0 HB2 LYS A 128 6.617 12.539 3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 128 5.986 11.701 2.002 1.00 0.00 H new ATOM 0 HG2 LYS A 128 4.017 13.233 1.957 1.00 0.00 H new ATOM 0 HG3 LYS A 128 4.618 14.060 3.380 1.00 0.00 H new ATOM 0 HD2 LYS A 128 5.677 15.457 1.922 1.00 0.00 H new ATOM 0 HD3 LYS A 128 6.835 14.158 1.713 1.00 0.00 H new ATOM 0 HE2 LYS A 128 6.185 13.842 -0.440 1.00 0.00 H new ATOM 0 HE3 LYS A 128 4.514 13.629 0.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 5.292 15.643 -1.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 4.023 15.799 -0.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 5.577 16.356 0.073 1.00 0.00 H new ATOM 1977 N GLU A 129 2.487 11.442 4.267 1.00 0.00 N ATOM 1978 CA GLU A 129 1.070 11.330 3.966 1.00 0.00 C ATOM 1979 C GLU A 129 0.542 12.649 3.398 1.00 0.00 C ATOM 1980 O GLU A 129 -0.494 13.147 3.835 1.00 0.00 O ATOM 1981 CB GLU A 129 0.277 10.911 5.206 1.00 0.00 C ATOM 1982 CG GLU A 129 -0.061 9.420 5.162 1.00 0.00 C ATOM 1983 CD GLU A 129 -1.526 9.179 5.533 1.00 0.00 C ATOM 1984 OE1 GLU A 129 -2.358 9.196 4.600 1.00 0.00 O ATOM 1985 OE2 GLU A 129 -1.781 8.983 6.741 1.00 0.00 O ATOM 0 H GLU A 129 2.699 11.709 5.228 1.00 0.00 H new ATOM 0 HA GLU A 129 0.939 10.554 3.212 1.00 0.00 H new ATOM 0 HB2 GLU A 129 0.856 11.130 6.103 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -0.642 11.494 5.269 1.00 0.00 H new ATOM 0 HG2 GLU A 129 0.134 9.028 4.164 1.00 0.00 H new ATOM 0 HG3 GLU A 129 0.586 8.876 5.850 1.00 0.00 H new ATOM 1992 N ASP A 130 1.279 13.177 2.432 1.00 0.00 N ATOM 1993 CA ASP A 130 0.899 14.429 1.799 1.00 0.00 C ATOM 1994 C ASP A 130 0.862 14.238 0.282 1.00 0.00 C ATOM 1995 O ASP A 130 -0.068 14.692 -0.382 1.00 0.00 O ATOM 1996 CB ASP A 130 1.909 15.534 2.113 1.00 0.00 C ATOM 1997 CG ASP A 130 1.856 16.072 3.544 1.00 0.00 C ATOM 1998 OD1 ASP A 130 0.774 15.948 4.157 1.00 0.00 O ATOM 1999 OD2 ASP A 130 2.899 16.595 3.992 1.00 0.00 O ATOM 0 H ASP A 130 2.138 12.761 2.072 1.00 0.00 H new ATOM 0 HA ASP A 130 -0.080 14.717 2.182 1.00 0.00 H new ATOM 0 HB2 ASP A 130 2.912 15.153 1.921 1.00 0.00 H new ATOM 0 HB3 ASP A 130 1.745 16.362 1.423 1.00 0.00 H new ATOM 2004 N ASN A 131 1.886 13.565 -0.223 1.00 0.00 N ATOM 2005 CA ASN A 131 1.983 13.308 -1.650 1.00 0.00 C ATOM 2006 C ASN A 131 1.342 11.955 -1.965 1.00 0.00 C ATOM 2007 O ASN A 131 1.894 11.166 -2.730 1.00 0.00 O ATOM 2008 CB ASN A 131 3.443 13.257 -2.102 1.00 0.00 C ATOM 2009 CG ASN A 131 3.542 13.136 -3.624 1.00 0.00 C ATOM 2010 OD1 ASN A 131 4.155 12.032 -4.041 1.00 0.00 O flip ATOM 2011 ND2 ASN A 131 3.090 13.989 -4.371 1.00 0.00 N flip ATOM 0 H ASN A 131 2.656 13.190 0.331 1.00 0.00 H new ATOM 0 HA ASN A 131 1.472 14.116 -2.174 1.00 0.00 H new ATOM 0 HB2 ASN A 131 3.962 14.157 -1.771 1.00 0.00 H new ATOM 0 HB3 ASN A 131 3.943 12.410 -1.633 1.00 0.00 H new ATOM 0 HD21 ASN A 131 2.631 14.814 -3.985 1.00 0.00 H new ATOM 0 HD22 ASN A 131 3.172 13.877 -5.382 1.00 0.00 H new ATOM 2018 N ASN A 132 0.186 11.728 -1.358 1.00 0.00 N ATOM 2019 CA ASN A 132 -0.535 10.484 -1.564 1.00 0.00 C ATOM 2020 C ASN A 132 -0.933 10.368 -3.037 1.00 0.00 C ATOM 2021 O ASN A 132 -1.395 11.337 -3.637 1.00 0.00 O ATOM 2022 CB ASN A 132 -1.814 10.443 -0.724 1.00 0.00 C ATOM 2023 CG ASN A 132 -1.490 10.498 0.770 1.00 0.00 C ATOM 2024 OD1 ASN A 132 -0.472 11.021 1.192 1.00 0.00 O ATOM 2025 ND2 ASN A 132 -2.411 9.932 1.544 1.00 0.00 N ATOM 0 H ASN A 132 -0.269 12.385 -0.724 1.00 0.00 H new ATOM 0 HA ASN A 132 0.118 9.663 -1.268 1.00 0.00 H new ATOM 0 HB2 ASN A 132 -2.456 11.282 -0.992 1.00 0.00 H new ATOM 0 HB3 ASN A 132 -2.370 9.532 -0.946 1.00 0.00 H new ATOM 0 HD21 ASN A 132 -2.288 9.918 2.556 1.00 0.00 H new ATOM 0 HD22 ASN A 132 -3.241 9.512 1.125 1.00 0.00 H new ATOM 2032 N LEU A 133 -0.739 9.174 -3.577 1.00 0.00 N ATOM 2033 CA LEU A 133 -1.072 8.919 -4.968 1.00 0.00 C ATOM 2034 C LEU A 133 -2.448 8.255 -5.045 1.00 0.00 C ATOM 2035 O LEU A 133 -2.950 7.984 -6.135 1.00 0.00 O ATOM 2036 CB LEU A 133 0.038 8.113 -5.646 1.00 0.00 C ATOM 2037 CG LEU A 133 1.460 8.382 -5.150 1.00 0.00 C ATOM 2038 CD1 LEU A 133 2.480 7.548 -5.929 1.00 0.00 C ATOM 2039 CD2 LEU A 133 1.785 9.876 -5.199 1.00 0.00 C ATOM 0 H LEU A 133 -0.355 8.372 -3.076 1.00 0.00 H new ATOM 0 HA LEU A 133 -1.138 9.856 -5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -0.177 7.053 -5.514 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.004 8.314 -6.717 1.00 0.00 H new ATOM 0 HG LEU A 133 1.521 8.073 -4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.483 7.758 -5.556 1.00 0.00 H new ATOM 0 HD12 LEU A 133 2.259 6.489 -5.799 1.00 0.00 H new ATOM 0 HD13 LEU A 133 2.426 7.802 -6.988 1.00 0.00 H new ATOM 0 HD21 LEU A 133 2.802 10.039 -4.841 1.00 0.00 H new ATOM 0 HD22 LEU A 133 1.700 10.233 -6.225 1.00 0.00 H new ATOM 0 HD23 LEU A 133 1.085 10.421 -4.566 1.00 0.00 H new ATOM 2051 N SER A 134 -3.020 8.013 -3.875 1.00 0.00 N ATOM 2052 CA SER A 134 -4.328 7.386 -3.796 1.00 0.00 C ATOM 2053 C SER A 134 -5.416 8.457 -3.689 1.00 0.00 C ATOM 2054 O SER A 134 -6.574 8.205 -4.017 1.00 0.00 O ATOM 2055 CB SER A 134 -4.409 6.427 -2.607 1.00 0.00 C ATOM 2056 OG SER A 134 -4.962 7.052 -1.453 1.00 0.00 O ATOM 0 H SER A 134 -2.601 8.240 -2.973 1.00 0.00 H new ATOM 0 HA SER A 134 -4.485 6.807 -4.706 1.00 0.00 H new ATOM 0 HB2 SER A 134 -5.017 5.564 -2.878 1.00 0.00 H new ATOM 0 HB3 SER A 134 -3.412 6.054 -2.374 1.00 0.00 H new ATOM 0 HG SER A 134 -4.382 6.885 -0.681 1.00 0.00 H new