USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 532 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 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 78 GLN :FLIP amide:sc= -0.308 F(o=-1.4!,f=-0.31) USER MOD Set 2.1: A 51 MET CE :methyl -133:sc= -3.92! (180deg=-4.14!) USER MOD Set 2.2: A 82 MET CE :methyl 146:sc= -0.909 (180deg=-3.71!) USER MOD Set 3.1: A 44 GLN : amide:sc= -1 K(o=0.075,f=-9.1!) USER MOD Set 3.2: A 50 LYS NZ :NH3+ -171:sc= 1.08 (180deg=0.871) USER MOD Set 4.1: A 20 GLN : amide:sc= -0.0297 X(o=-1.1,f=-1.5) USER MOD Set 4.2: A 77 GLN : amide:sc= -1.05 K(o=-1.1,f=-2.6) USER MOD Single : A 18 THR OG1 : rot 35:sc= -2.33! USER MOD Single : A 23 MET CE :methyl 141:sc= -0.429 (180deg=-2.37!) USER MOD Single : A 28 LYS NZ :NH3+ -169:sc= 1.22 (180deg=1.18) USER MOD Single : A 35 LYS NZ :NH3+ -166:sc= -0.032 (180deg=-0.268) USER MOD Single : A 39 THR OG1 : rot 65:sc= 1.12 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.468 F(o=-2.7!,f=-0.47) USER MOD Single : A 55 GLN : amide:sc= -3.85! C(o=-3.9!,f=-8.6!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -164:sc= 1.24 (180deg=1.06) USER MOD Single : A 80 CYS SG : rot 180:sc= -0.306 USER MOD Single : A 84 MET CE :methyl 141:sc= -0.196 (180deg=-1.49) USER MOD ----------------------------------------------------------------- ATOM 165 N THR A 18 -2.035 -8.591 -3.461 1.00 0.00 N ATOM 166 CA THR A 18 -3.255 -7.790 -3.487 1.00 0.00 C ATOM 167 C THR A 18 -2.933 -6.300 -3.597 1.00 0.00 C ATOM 168 O THR A 18 -2.088 -5.790 -2.865 1.00 0.00 O ATOM 169 CB THR A 18 -4.069 -8.054 -2.210 1.00 0.00 C ATOM 170 OG1 THR A 18 -4.357 -9.452 -2.127 1.00 0.00 O ATOM 171 CG2 THR A 18 -5.368 -7.260 -2.180 1.00 0.00 C ATOM 0 HA THR A 18 -3.838 -8.077 -4.362 1.00 0.00 H new ATOM 0 HB THR A 18 -3.474 -7.731 -1.356 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.601 -9.964 -2.483 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.908 -7.480 -1.259 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.144 -6.194 -2.224 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.983 -7.537 -3.036 1.00 0.00 H new ATOM 179 N VAL A 19 -3.598 -5.614 -4.518 1.00 0.00 N ATOM 180 CA VAL A 19 -3.321 -4.206 -4.754 1.00 0.00 C ATOM 181 C VAL A 19 -4.602 -3.407 -5.018 1.00 0.00 C ATOM 182 O VAL A 19 -5.410 -3.761 -5.877 1.00 0.00 O ATOM 183 CB VAL A 19 -2.329 -4.023 -5.931 1.00 0.00 C ATOM 184 CG1 VAL A 19 -2.818 -4.740 -7.182 1.00 0.00 C ATOM 185 CG2 VAL A 19 -2.096 -2.548 -6.216 1.00 0.00 C ATOM 0 H VAL A 19 -4.329 -6.009 -5.110 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.864 -3.817 -3.844 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.380 -4.471 -5.637 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.101 -4.593 -7.990 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.918 -5.806 -6.975 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.786 -4.336 -7.478 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.397 -2.444 -7.046 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.042 -2.074 -6.477 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.682 -2.067 -5.330 1.00 0.00 H new ATOM 195 N GLN A 20 -4.792 -2.338 -4.257 1.00 0.00 N ATOM 196 CA GLN A 20 -5.895 -1.417 -4.500 1.00 0.00 C ATOM 197 C GLN A 20 -5.360 -0.082 -4.992 1.00 0.00 C ATOM 198 O GLN A 20 -4.451 0.485 -4.386 1.00 0.00 O ATOM 199 CB GLN A 20 -6.739 -1.209 -3.239 1.00 0.00 C ATOM 200 CG GLN A 20 -7.506 -2.448 -2.810 1.00 0.00 C ATOM 201 CD GLN A 20 -8.511 -2.178 -1.702 1.00 0.00 C ATOM 202 OE1 GLN A 20 -9.534 -2.852 -1.608 1.00 0.00 O ATOM 203 NE2 GLN A 20 -8.239 -1.191 -0.860 1.00 0.00 N ATOM 0 H GLN A 20 -4.198 -2.087 -3.467 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.535 -1.856 -5.265 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -6.088 -0.895 -2.424 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.445 -0.397 -3.414 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -8.029 -2.860 -3.673 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.799 -3.206 -2.473 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.380 -0.651 -0.967 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.889 -0.971 -0.105 1.00 0.00 H new ATOM 212 N GLU A 21 -5.907 0.396 -6.102 1.00 0.00 N ATOM 213 CA GLU A 21 -5.505 1.677 -6.670 1.00 0.00 C ATOM 214 C GLU A 21 -6.449 2.791 -6.242 1.00 0.00 C ATOM 215 O GLU A 21 -7.632 2.785 -6.583 1.00 0.00 O ATOM 216 CB GLU A 21 -5.453 1.591 -8.195 1.00 0.00 C ATOM 217 CG GLU A 21 -4.274 0.788 -8.701 1.00 0.00 C ATOM 218 CD GLU A 21 -4.319 0.540 -10.190 1.00 0.00 C ATOM 219 OE1 GLU A 21 -5.277 -0.105 -10.662 1.00 0.00 O ATOM 220 OE2 GLU A 21 -3.385 0.972 -10.890 1.00 0.00 O ATOM 0 H GLU A 21 -6.634 -0.087 -6.630 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.510 1.911 -6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.376 1.141 -8.560 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.404 2.598 -8.609 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.352 1.314 -8.454 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.244 -0.169 -8.180 1.00 0.00 H new ATOM 227 N ILE A 22 -5.922 3.738 -5.488 1.00 0.00 N ATOM 228 CA ILE A 22 -6.702 4.887 -5.058 1.00 0.00 C ATOM 229 C ILE A 22 -6.366 6.086 -5.934 1.00 0.00 C ATOM 230 O ILE A 22 -5.256 6.181 -6.451 1.00 0.00 O ATOM 231 CB ILE A 22 -6.432 5.252 -3.578 1.00 0.00 C ATOM 232 CG1 ILE A 22 -6.386 3.989 -2.708 1.00 0.00 C ATOM 233 CG2 ILE A 22 -7.506 6.202 -3.061 1.00 0.00 C ATOM 234 CD1 ILE A 22 -7.668 3.180 -2.729 1.00 0.00 C ATOM 0 H ILE A 22 -4.956 3.735 -5.160 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.755 4.624 -5.154 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.464 5.749 -3.521 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.564 3.357 -3.045 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.166 4.276 -1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.302 6.449 -2.019 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.503 7.114 -3.658 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.482 5.723 -3.136 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.556 2.304 -2.090 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.491 3.793 -2.363 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.880 2.860 -3.749 1.00 0.00 H new ATOM 246 N MET A 23 -7.329 6.979 -6.116 1.00 0.00 N ATOM 247 CA MET A 23 -7.115 8.210 -6.858 1.00 0.00 C ATOM 248 C MET A 23 -6.985 9.357 -5.872 1.00 0.00 C ATOM 249 O MET A 23 -7.983 9.943 -5.455 1.00 0.00 O ATOM 250 CB MET A 23 -8.287 8.483 -7.800 1.00 0.00 C ATOM 251 CG MET A 23 -8.573 7.381 -8.815 1.00 0.00 C ATOM 252 SD MET A 23 -7.458 7.395 -10.241 1.00 0.00 S ATOM 253 CE MET A 23 -6.045 6.488 -9.615 1.00 0.00 C ATOM 0 H MET A 23 -8.276 6.870 -5.754 1.00 0.00 H new ATOM 0 HA MET A 23 -6.207 8.115 -7.454 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.183 8.646 -7.202 1.00 0.00 H new ATOM 0 HB3 MET A 23 -8.091 9.410 -8.339 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.500 6.414 -8.318 1.00 0.00 H new ATOM 0 HG3 MET A 23 -9.600 7.482 -9.167 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.650 5.843 -10.400 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.273 7.190 -9.299 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.351 5.879 -8.764 1.00 0.00 H new ATOM 263 N ILE A 24 -5.763 9.652 -5.475 1.00 0.00 N ATOM 264 CA ILE A 24 -5.526 10.667 -4.463 1.00 0.00 C ATOM 265 C ILE A 24 -5.555 12.061 -5.076 1.00 0.00 C ATOM 266 O ILE A 24 -4.883 12.317 -6.074 1.00 0.00 O ATOM 267 CB ILE A 24 -4.173 10.443 -3.752 1.00 0.00 C ATOM 268 CG1 ILE A 24 -4.119 9.041 -3.137 1.00 0.00 C ATOM 269 CG2 ILE A 24 -3.953 11.501 -2.682 1.00 0.00 C ATOM 270 CD1 ILE A 24 -5.255 8.753 -2.178 1.00 0.00 C ATOM 0 H ILE A 24 -4.920 9.206 -5.835 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.326 10.585 -3.727 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.376 10.528 -4.491 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.135 8.302 -3.938 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.172 8.921 -2.611 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.995 11.328 -2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.952 12.489 -3.142 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.754 11.445 -1.945 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.150 7.743 -1.783 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.228 9.469 -1.356 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.206 8.840 -2.704 1.00 0.00 H new ATOM 282 N PRO A 25 -6.358 12.967 -4.491 1.00 0.00 N ATOM 283 CA PRO A 25 -6.441 14.363 -4.924 1.00 0.00 C ATOM 284 C PRO A 25 -5.063 14.993 -5.108 1.00 0.00 C ATOM 285 O PRO A 25 -4.194 14.880 -4.240 1.00 0.00 O ATOM 286 CB PRO A 25 -7.181 15.037 -3.768 1.00 0.00 C ATOM 287 CG PRO A 25 -8.042 13.966 -3.204 1.00 0.00 C ATOM 288 CD PRO A 25 -7.267 12.689 -3.362 1.00 0.00 C ATOM 0 HA PRO A 25 -6.935 14.467 -5.890 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.486 15.422 -3.022 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.775 15.882 -4.116 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.268 14.158 -2.155 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.995 13.913 -3.731 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.715 12.441 -2.455 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.924 11.846 -3.576 1.00 0.00 H new ATOM 296 N ALA A 26 -4.875 15.654 -6.246 1.00 0.00 N ATOM 297 CA ALA A 26 -3.604 16.282 -6.585 1.00 0.00 C ATOM 298 C ALA A 26 -3.210 17.333 -5.550 1.00 0.00 C ATOM 299 O ALA A 26 -2.025 17.614 -5.359 1.00 0.00 O ATOM 300 CB ALA A 26 -3.673 16.902 -7.975 1.00 0.00 C ATOM 0 H ALA A 26 -5.598 15.769 -6.957 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.836 15.508 -6.583 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.717 17.367 -8.214 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.893 16.127 -8.709 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.459 17.657 -7.998 1.00 0.00 H new ATOM 306 N GLY A 27 -4.207 17.906 -4.885 1.00 0.00 N ATOM 307 CA GLY A 27 -3.942 18.877 -3.843 1.00 0.00 C ATOM 308 C GLY A 27 -3.448 18.230 -2.563 1.00 0.00 C ATOM 309 O GLY A 27 -2.650 18.818 -1.833 1.00 0.00 O ATOM 0 H GLY A 27 -5.195 17.714 -5.050 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.199 19.592 -4.196 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.852 19.440 -3.635 1.00 0.00 H new ATOM 313 N LYS A 28 -3.898 17.006 -2.304 1.00 0.00 N ATOM 314 CA LYS A 28 -3.533 16.284 -1.088 1.00 0.00 C ATOM 315 C LYS A 28 -2.398 15.305 -1.341 1.00 0.00 C ATOM 316 O LYS A 28 -2.178 14.379 -0.559 1.00 0.00 O ATOM 317 CB LYS A 28 -4.740 15.540 -0.530 1.00 0.00 C ATOM 318 CG LYS A 28 -5.829 16.462 -0.047 1.00 0.00 C ATOM 319 CD LYS A 28 -6.981 15.695 0.552 1.00 0.00 C ATOM 320 CE LYS A 28 -7.954 16.611 1.272 1.00 0.00 C ATOM 321 NZ LYS A 28 -9.069 15.850 1.892 1.00 0.00 N ATOM 0 H LYS A 28 -4.521 16.489 -2.925 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.193 17.019 -0.359 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.143 14.883 -1.301 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.418 14.904 0.294 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.423 17.148 0.696 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.188 17.069 -0.878 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.506 15.154 -0.235 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.598 14.950 1.250 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.424 17.172 2.042 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.357 17.339 0.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.806 16.511 2.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.472 15.194 1.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.711 15.312 2.707 1.00 0.00 H new ATOM 335 N ALA A 29 -1.671 15.516 -2.429 1.00 0.00 N ATOM 336 CA ALA A 29 -0.547 14.654 -2.769 1.00 0.00 C ATOM 337 C ALA A 29 0.552 14.761 -1.722 1.00 0.00 C ATOM 338 O ALA A 29 1.219 13.781 -1.414 1.00 0.00 O ATOM 339 CB ALA A 29 -0.005 14.999 -4.147 1.00 0.00 C ATOM 0 H ALA A 29 -1.838 16.274 -3.090 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.903 13.624 -2.787 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.834 14.344 -4.382 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.790 14.865 -4.891 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.330 16.036 -4.157 1.00 0.00 H new ATOM 345 N GLY A 30 0.714 15.950 -1.156 1.00 0.00 N ATOM 346 CA GLY A 30 1.728 16.156 -0.143 1.00 0.00 C ATOM 347 C GLY A 30 1.405 15.422 1.143 1.00 0.00 C ATOM 348 O GLY A 30 2.301 15.076 1.913 1.00 0.00 O ATOM 0 H GLY A 30 0.160 16.776 -1.382 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.692 15.817 -0.521 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.823 17.222 0.063 1.00 0.00 H new ATOM 352 N LEU A 31 0.121 15.171 1.369 1.00 0.00 N ATOM 353 CA LEU A 31 -0.323 14.494 2.582 1.00 0.00 C ATOM 354 C LEU A 31 0.011 13.010 2.521 1.00 0.00 C ATOM 355 O LEU A 31 0.479 12.432 3.500 1.00 0.00 O ATOM 356 CB LEU A 31 -1.829 14.678 2.786 1.00 0.00 C ATOM 357 CG LEU A 31 -2.296 16.124 2.960 1.00 0.00 C ATOM 358 CD1 LEU A 31 -3.802 16.170 3.159 1.00 0.00 C ATOM 359 CD2 LEU A 31 -1.583 16.779 4.133 1.00 0.00 C ATOM 0 H LEU A 31 -0.631 15.426 0.729 1.00 0.00 H new ATOM 0 HA LEU A 31 0.203 14.940 3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.350 14.246 1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.132 14.108 3.664 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.047 16.680 2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.121 17.205 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.297 15.738 2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.069 15.600 4.049 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.929 17.807 4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.801 16.225 5.046 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.508 16.775 3.954 1.00 0.00 H new ATOM 371 N VAL A 32 -0.217 12.405 1.362 1.00 0.00 N ATOM 372 CA VAL A 32 0.067 10.985 1.170 1.00 0.00 C ATOM 373 C VAL A 32 1.570 10.723 1.085 1.00 0.00 C ATOM 374 O VAL A 32 2.028 9.612 1.340 1.00 0.00 O ATOM 375 CB VAL A 32 -0.633 10.407 -0.081 1.00 0.00 C ATOM 376 CG1 VAL A 32 -1.987 9.826 0.289 1.00 0.00 C ATOM 377 CG2 VAL A 32 -0.801 11.466 -1.159 1.00 0.00 C ATOM 0 H VAL A 32 -0.598 12.874 0.540 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.335 10.476 2.046 1.00 0.00 H new ATOM 0 HB VAL A 32 0.000 9.613 -0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.466 9.423 -0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.853 9.029 1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.614 10.608 0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.296 11.028 -2.025 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.405 12.286 -0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.178 11.844 -1.453 1.00 0.00 H new ATOM 387 N ILE A 33 2.332 11.745 0.715 1.00 0.00 N ATOM 388 CA ILE A 33 3.790 11.662 0.753 1.00 0.00 C ATOM 389 C ILE A 33 4.272 11.801 2.192 1.00 0.00 C ATOM 390 O ILE A 33 5.250 11.175 2.613 1.00 0.00 O ATOM 391 CB ILE A 33 4.450 12.760 -0.106 1.00 0.00 C ATOM 392 CG1 ILE A 33 3.931 12.706 -1.538 1.00 0.00 C ATOM 393 CG2 ILE A 33 5.965 12.619 -0.092 1.00 0.00 C ATOM 394 CD1 ILE A 33 4.396 13.872 -2.387 1.00 0.00 C ATOM 0 H ILE A 33 1.968 12.639 0.386 1.00 0.00 H new ATOM 0 HA ILE A 33 4.076 10.692 0.346 1.00 0.00 H new ATOM 0 HB ILE A 33 4.188 13.727 0.324 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.258 11.775 -2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.841 12.689 -1.522 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.409 13.404 -0.704 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.329 12.707 0.932 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.243 11.645 -0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.991 13.773 -3.394 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.046 14.805 -1.946 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.485 13.878 -2.432 1.00 0.00 H new ATOM 406 N GLY A 34 3.561 12.629 2.942 1.00 0.00 N ATOM 407 CA GLY A 34 3.872 12.827 4.337 1.00 0.00 C ATOM 408 C GLY A 34 4.678 14.070 4.572 1.00 0.00 C ATOM 409 O GLY A 34 5.500 14.115 5.487 1.00 0.00 O ATOM 0 H GLY A 34 2.767 13.171 2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.946 12.884 4.908 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.423 11.964 4.710 1.00 0.00 H new ATOM 413 N LYS A 35 4.429 15.070 3.740 1.00 0.00 N ATOM 414 CA LYS A 35 5.072 16.374 3.837 1.00 0.00 C ATOM 415 C LYS A 35 6.556 16.302 3.466 1.00 0.00 C ATOM 416 O LYS A 35 6.979 16.891 2.470 1.00 0.00 O ATOM 417 CB LYS A 35 4.898 16.971 5.241 1.00 0.00 C ATOM 418 CG LYS A 35 3.447 17.071 5.701 1.00 0.00 C ATOM 419 CD LYS A 35 2.633 18.028 4.841 1.00 0.00 C ATOM 420 CE LYS A 35 3.143 19.457 4.938 1.00 0.00 C ATOM 421 NZ LYS A 35 3.110 19.970 6.333 1.00 0.00 N ATOM 0 H LYS A 35 3.766 14.999 2.968 1.00 0.00 H new ATOM 0 HA LYS A 35 4.580 17.030 3.119 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.453 16.361 5.954 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.343 17.966 5.258 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.990 16.082 5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.419 17.405 6.738 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.668 17.701 3.802 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.588 17.994 5.151 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.164 19.503 4.559 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.537 20.101 4.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.235 21.002 6.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.195 19.735 6.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.877 19.532 6.882 1.00 0.00 H new ATOM 435 N GLY A 36 7.335 15.575 4.259 1.00 0.00 N ATOM 436 CA GLY A 36 8.763 15.480 4.023 1.00 0.00 C ATOM 437 C GLY A 36 9.114 14.332 3.104 1.00 0.00 C ATOM 438 O GLY A 36 10.099 14.394 2.365 1.00 0.00 O ATOM 0 H GLY A 36 7.000 15.047 5.065 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.121 16.414 3.589 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.279 15.353 4.974 1.00 0.00 H new ATOM 442 N GLY A 37 8.311 13.277 3.148 1.00 0.00 N ATOM 443 CA GLY A 37 8.547 12.133 2.288 1.00 0.00 C ATOM 444 C GLY A 37 9.020 10.920 3.058 1.00 0.00 C ATOM 445 O GLY A 37 9.227 9.852 2.486 1.00 0.00 O ATOM 0 H GLY A 37 7.501 13.193 3.763 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.628 11.886 1.756 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.291 12.395 1.536 1.00 0.00 H new ATOM 449 N GLU A 38 9.199 11.082 4.355 1.00 0.00 N ATOM 450 CA GLU A 38 9.613 9.981 5.209 1.00 0.00 C ATOM 451 C GLU A 38 8.407 9.166 5.678 1.00 0.00 C ATOM 452 O GLU A 38 8.516 7.970 5.946 1.00 0.00 O ATOM 453 CB GLU A 38 10.435 10.493 6.404 1.00 0.00 C ATOM 454 CG GLU A 38 10.094 11.910 6.862 1.00 0.00 C ATOM 455 CD GLU A 38 8.663 12.060 7.330 1.00 0.00 C ATOM 456 OE1 GLU A 38 7.783 12.336 6.486 1.00 0.00 O ATOM 457 OE2 GLU A 38 8.413 11.885 8.539 1.00 0.00 O ATOM 0 H GLU A 38 9.064 11.967 4.843 1.00 0.00 H new ATOM 0 HA GLU A 38 10.251 9.321 4.622 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.292 9.812 7.243 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.492 10.457 6.141 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.766 12.194 7.672 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.275 12.603 6.041 1.00 0.00 H new ATOM 464 N THR A 39 7.255 9.821 5.759 1.00 0.00 N ATOM 465 CA THR A 39 6.037 9.185 6.244 1.00 0.00 C ATOM 466 C THR A 39 5.554 8.101 5.283 1.00 0.00 C ATOM 467 O THR A 39 5.145 7.029 5.718 1.00 0.00 O ATOM 468 CB THR A 39 4.917 10.217 6.460 1.00 0.00 C ATOM 469 OG1 THR A 39 5.414 11.335 7.214 1.00 0.00 O ATOM 470 CG2 THR A 39 3.738 9.600 7.197 1.00 0.00 C ATOM 0 H THR A 39 7.139 10.799 5.493 1.00 0.00 H new ATOM 0 HA THR A 39 6.280 8.722 7.201 1.00 0.00 H new ATOM 0 HB THR A 39 4.580 10.554 5.480 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.094 11.807 6.689 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.962 10.352 7.336 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.339 8.770 6.614 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.068 9.235 8.170 1.00 0.00 H new ATOM 478 N ILE A 40 5.623 8.374 3.981 1.00 0.00 N ATOM 479 CA ILE A 40 5.212 7.393 2.973 1.00 0.00 C ATOM 480 C ILE A 40 6.022 6.099 3.112 1.00 0.00 C ATOM 481 O ILE A 40 5.512 5.004 2.877 1.00 0.00 O ATOM 482 CB ILE A 40 5.342 7.961 1.535 1.00 0.00 C ATOM 483 CG1 ILE A 40 4.920 6.918 0.490 1.00 0.00 C ATOM 484 CG2 ILE A 40 6.761 8.440 1.267 1.00 0.00 C ATOM 485 CD1 ILE A 40 5.046 7.398 -0.945 1.00 0.00 C ATOM 0 H ILE A 40 5.957 9.259 3.599 1.00 0.00 H new ATOM 0 HA ILE A 40 4.160 7.167 3.148 1.00 0.00 H new ATOM 0 HB ILE A 40 4.670 8.816 1.453 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.529 6.023 0.618 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.886 6.629 0.677 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.827 8.834 0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.021 9.224 1.978 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.454 7.606 1.378 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.729 6.605 -1.623 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.415 8.275 -1.092 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.084 7.659 -1.152 1.00 0.00 H new ATOM 497 N LYS A 41 7.279 6.230 3.521 1.00 0.00 N ATOM 498 CA LYS A 41 8.112 5.070 3.798 1.00 0.00 C ATOM 499 C LYS A 41 7.619 4.364 5.056 1.00 0.00 C ATOM 500 O LYS A 41 7.507 3.139 5.096 1.00 0.00 O ATOM 501 CB LYS A 41 9.574 5.483 3.982 1.00 0.00 C ATOM 502 CG LYS A 41 10.490 4.309 4.295 1.00 0.00 C ATOM 503 CD LYS A 41 11.853 4.767 4.789 1.00 0.00 C ATOM 504 CE LYS A 41 11.740 5.598 6.058 1.00 0.00 C ATOM 505 NZ LYS A 41 13.053 5.765 6.733 1.00 0.00 N ATOM 0 H LYS A 41 7.741 7.127 3.667 1.00 0.00 H new ATOM 0 HA LYS A 41 8.045 4.390 2.949 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.923 5.977 3.075 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.640 6.213 4.788 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.024 3.677 5.051 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.615 3.698 3.401 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.483 3.898 4.978 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.344 5.353 4.012 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.331 6.578 5.814 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.039 5.121 6.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.931 6.337 7.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.433 4.831 6.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.716 6.244 6.090 1.00 0.00 H new ATOM 519 N GLN A 42 7.295 5.161 6.068 1.00 0.00 N ATOM 520 CA GLN A 42 6.868 4.642 7.358 1.00 0.00 C ATOM 521 C GLN A 42 5.573 3.873 7.220 1.00 0.00 C ATOM 522 O GLN A 42 5.387 2.842 7.858 1.00 0.00 O ATOM 523 CB GLN A 42 6.679 5.781 8.358 1.00 0.00 C ATOM 524 CG GLN A 42 7.975 6.454 8.759 1.00 0.00 C ATOM 525 CD GLN A 42 7.757 7.624 9.695 1.00 0.00 C ATOM 526 OE1 GLN A 42 7.605 8.812 9.130 1.00 0.00 O flip ATOM 527 NE2 GLN A 42 7.734 7.463 10.915 1.00 0.00 N flip ATOM 0 H GLN A 42 7.321 6.179 6.016 1.00 0.00 H new ATOM 0 HA GLN A 42 7.644 3.970 7.724 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.011 6.526 7.926 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.189 5.392 9.251 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.625 5.724 9.241 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.492 6.800 7.864 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.855 6.530 11.309 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.594 8.263 11.532 1.00 0.00 H new ATOM 536 N LEU A 43 4.686 4.383 6.376 1.00 0.00 N ATOM 537 CA LEU A 43 3.398 3.752 6.135 1.00 0.00 C ATOM 538 C LEU A 43 3.580 2.308 5.698 1.00 0.00 C ATOM 539 O LEU A 43 2.881 1.411 6.168 1.00 0.00 O ATOM 540 CB LEU A 43 2.622 4.510 5.063 1.00 0.00 C ATOM 541 CG LEU A 43 2.372 5.992 5.352 1.00 0.00 C ATOM 542 CD1 LEU A 43 1.720 6.665 4.159 1.00 0.00 C ATOM 543 CD2 LEU A 43 1.505 6.154 6.591 1.00 0.00 C ATOM 0 H LEU A 43 4.838 5.239 5.843 1.00 0.00 H new ATOM 0 HA LEU A 43 2.836 3.774 7.069 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.164 4.428 4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.660 4.019 4.920 1.00 0.00 H new ATOM 0 HG LEU A 43 3.333 6.472 5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.550 7.718 4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.374 6.580 3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.767 6.181 3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.337 7.214 6.782 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.547 5.658 6.432 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.008 5.706 7.448 1.00 0.00 H new ATOM 555 N GLN A 44 4.535 2.094 4.808 1.00 0.00 N ATOM 556 CA GLN A 44 4.839 0.765 4.314 1.00 0.00 C ATOM 557 C GLN A 44 5.369 -0.112 5.444 1.00 0.00 C ATOM 558 O GLN A 44 4.934 -1.250 5.620 1.00 0.00 O ATOM 559 CB GLN A 44 5.852 0.856 3.171 1.00 0.00 C ATOM 560 CG GLN A 44 5.376 1.736 2.024 1.00 0.00 C ATOM 561 CD GLN A 44 6.347 1.776 0.858 1.00 0.00 C ATOM 562 OE1 GLN A 44 6.276 0.951 -0.055 1.00 0.00 O ATOM 563 NE2 GLN A 44 7.242 2.749 0.864 1.00 0.00 N ATOM 0 H GLN A 44 5.117 2.832 4.411 1.00 0.00 H new ATOM 0 HA GLN A 44 3.926 0.307 3.932 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.793 1.249 3.557 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.056 -0.146 2.793 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.411 1.372 1.672 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.220 2.750 2.393 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.269 3.413 1.638 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.906 2.836 0.094 1.00 0.00 H new ATOM 572 N GLU A 45 6.275 0.451 6.233 1.00 0.00 N ATOM 573 CA GLU A 45 6.890 -0.271 7.340 1.00 0.00 C ATOM 574 C GLU A 45 5.855 -0.654 8.403 1.00 0.00 C ATOM 575 O GLU A 45 5.822 -1.793 8.866 1.00 0.00 O ATOM 576 CB GLU A 45 7.996 0.581 7.977 1.00 0.00 C ATOM 577 CG GLU A 45 9.056 1.041 6.988 1.00 0.00 C ATOM 578 CD GLU A 45 10.152 1.864 7.639 1.00 0.00 C ATOM 579 OE1 GLU A 45 9.936 3.066 7.896 1.00 0.00 O ATOM 580 OE2 GLU A 45 11.246 1.310 7.892 1.00 0.00 O ATOM 0 H GLU A 45 6.602 1.411 6.126 1.00 0.00 H new ATOM 0 HA GLU A 45 7.322 -1.188 6.940 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.545 1.455 8.446 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.475 0.006 8.769 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.500 0.169 6.507 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.582 1.631 6.204 1.00 0.00 H new ATOM 587 N ARG A 46 5.002 0.296 8.770 1.00 0.00 N ATOM 588 CA ARG A 46 4.049 0.092 9.862 1.00 0.00 C ATOM 589 C ARG A 46 2.849 -0.757 9.446 1.00 0.00 C ATOM 590 O ARG A 46 2.265 -1.457 10.275 1.00 0.00 O ATOM 591 CB ARG A 46 3.579 1.437 10.436 1.00 0.00 C ATOM 592 CG ARG A 46 2.934 2.379 9.433 1.00 0.00 C ATOM 593 CD ARG A 46 2.845 3.791 9.998 1.00 0.00 C ATOM 594 NE ARG A 46 4.101 4.201 10.631 1.00 0.00 N ATOM 595 CZ ARG A 46 4.274 5.341 11.297 1.00 0.00 C ATOM 596 NH1 ARG A 46 3.278 6.211 11.411 1.00 0.00 N ATOM 597 NH2 ARG A 46 5.444 5.601 11.865 1.00 0.00 N ATOM 0 H ARG A 46 4.949 1.215 8.330 1.00 0.00 H new ATOM 0 HA ARG A 46 4.579 -0.461 10.638 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.867 1.243 11.238 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.435 1.941 10.885 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.514 2.387 8.510 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.936 2.020 9.179 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.596 4.488 9.198 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.037 3.841 10.727 1.00 0.00 H new ATOM 0 HE ARG A 46 4.898 3.569 10.556 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.373 6.008 10.987 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.418 7.082 11.923 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.208 4.929 11.791 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.580 6.473 12.376 1.00 0.00 H new ATOM 611 N ALA A 47 2.481 -0.710 8.174 1.00 0.00 N ATOM 612 CA ALA A 47 1.312 -1.448 7.710 1.00 0.00 C ATOM 613 C ALA A 47 1.680 -2.838 7.202 1.00 0.00 C ATOM 614 O ALA A 47 0.826 -3.715 7.094 1.00 0.00 O ATOM 615 CB ALA A 47 0.577 -0.669 6.632 1.00 0.00 C ATOM 0 H ALA A 47 2.966 -0.177 7.452 1.00 0.00 H new ATOM 0 HA ALA A 47 0.650 -1.575 8.567 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.292 -1.238 6.300 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.251 0.290 7.035 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.244 -0.499 5.787 1.00 0.00 H new ATOM 621 N GLY A 48 2.959 -3.037 6.902 1.00 0.00 N ATOM 622 CA GLY A 48 3.406 -4.312 6.370 1.00 0.00 C ATOM 623 C GLY A 48 3.017 -4.478 4.916 1.00 0.00 C ATOM 624 O GLY A 48 2.873 -5.597 4.418 1.00 0.00 O ATOM 0 H GLY A 48 3.694 -2.339 7.017 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.489 -4.388 6.468 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.975 -5.123 6.957 1.00 0.00 H new ATOM 628 N VAL A 49 2.844 -3.353 4.240 1.00 0.00 N ATOM 629 CA VAL A 49 2.432 -3.334 2.846 1.00 0.00 C ATOM 630 C VAL A 49 3.390 -2.479 2.039 1.00 0.00 C ATOM 631 O VAL A 49 4.228 -1.779 2.602 1.00 0.00 O ATOM 632 CB VAL A 49 1.007 -2.758 2.676 1.00 0.00 C ATOM 633 CG1 VAL A 49 -0.016 -3.585 3.434 1.00 0.00 C ATOM 634 CG2 VAL A 49 0.953 -1.306 3.126 1.00 0.00 C ATOM 0 H VAL A 49 2.986 -2.427 4.643 1.00 0.00 H new ATOM 0 HA VAL A 49 2.439 -4.365 2.492 1.00 0.00 H new ATOM 0 HB VAL A 49 0.758 -2.802 1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.008 -3.154 3.295 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.008 -4.608 3.057 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.232 -3.588 4.495 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.059 -0.923 2.997 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.235 -1.240 4.177 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.645 -0.713 2.527 1.00 0.00 H new ATOM 644 N LYS A 50 3.256 -2.526 0.730 1.00 0.00 N ATOM 645 CA LYS A 50 4.056 -1.684 -0.137 1.00 0.00 C ATOM 646 C LYS A 50 3.163 -0.636 -0.784 1.00 0.00 C ATOM 647 O LYS A 50 2.171 -0.966 -1.427 1.00 0.00 O ATOM 648 CB LYS A 50 4.768 -2.535 -1.200 1.00 0.00 C ATOM 649 CG LYS A 50 5.795 -1.771 -2.033 1.00 0.00 C ATOM 650 CD LYS A 50 5.149 -0.990 -3.170 1.00 0.00 C ATOM 651 CE LYS A 50 6.159 -0.119 -3.904 1.00 0.00 C ATOM 652 NZ LYS A 50 6.719 0.946 -3.030 1.00 0.00 N ATOM 0 H LYS A 50 2.601 -3.138 0.242 1.00 0.00 H new ATOM 0 HA LYS A 50 4.822 -1.179 0.451 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.266 -3.369 -0.706 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.020 -2.961 -1.868 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.344 -1.084 -1.389 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.521 -2.472 -2.443 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.690 -1.685 -3.873 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.350 -0.364 -2.773 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.970 -0.743 -4.279 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.681 0.338 -4.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.282 1.606 -3.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.942 1.463 -2.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.325 0.515 -2.303 1.00 0.00 H new ATOM 666 N MET A 51 3.519 0.624 -0.610 1.00 0.00 N ATOM 667 CA MET A 51 2.757 1.717 -1.189 1.00 0.00 C ATOM 668 C MET A 51 3.585 2.392 -2.260 1.00 0.00 C ATOM 669 O MET A 51 4.751 2.718 -2.042 1.00 0.00 O ATOM 670 CB MET A 51 2.353 2.748 -0.128 1.00 0.00 C ATOM 671 CG MET A 51 1.508 2.176 0.989 1.00 0.00 C ATOM 672 SD MET A 51 0.996 3.438 2.164 1.00 0.00 S ATOM 673 CE MET A 51 0.107 2.440 3.347 1.00 0.00 C ATOM 0 H MET A 51 4.334 0.917 -0.071 1.00 0.00 H new ATOM 0 HA MET A 51 1.845 1.304 -1.620 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.254 3.188 0.299 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.802 3.555 -0.611 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.626 1.696 0.566 1.00 0.00 H new ATOM 0 HG3 MET A 51 2.072 1.403 1.511 1.00 0.00 H new ATOM 0 HE1 MET A 51 -0.847 2.914 3.579 1.00 0.00 H new ATOM 0 HE2 MET A 51 -0.072 1.450 2.927 1.00 0.00 H new ATOM 0 HE3 MET A 51 0.696 2.346 4.259 1.00 0.00 H new ATOM 683 N ILE A 52 3.002 2.561 -3.426 1.00 0.00 N ATOM 684 CA ILE A 52 3.661 3.287 -4.489 1.00 0.00 C ATOM 685 C ILE A 52 2.802 4.463 -4.931 1.00 0.00 C ATOM 686 O ILE A 52 1.758 4.296 -5.567 1.00 0.00 O ATOM 687 CB ILE A 52 4.012 2.374 -5.691 1.00 0.00 C ATOM 688 CG1 ILE A 52 4.588 3.203 -6.845 1.00 0.00 C ATOM 689 CG2 ILE A 52 2.799 1.575 -6.146 1.00 0.00 C ATOM 690 CD1 ILE A 52 5.035 2.374 -8.031 1.00 0.00 C ATOM 0 H ILE A 52 2.075 2.207 -3.662 1.00 0.00 H new ATOM 0 HA ILE A 52 4.604 3.666 -4.096 1.00 0.00 H new ATOM 0 HB ILE A 52 4.773 1.664 -5.367 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.835 3.918 -7.177 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.436 3.780 -6.477 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.075 0.944 -6.990 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.446 0.950 -5.326 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.006 2.259 -6.448 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.430 3.031 -8.806 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.811 1.677 -7.716 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.186 1.817 -8.426 1.00 0.00 H new ATOM 702 N LEU A 53 3.223 5.648 -4.536 1.00 0.00 N ATOM 703 CA LEU A 53 2.573 6.868 -4.968 1.00 0.00 C ATOM 704 C LEU A 53 3.081 7.237 -6.356 1.00 0.00 C ATOM 705 O LEU A 53 4.210 7.708 -6.502 1.00 0.00 O ATOM 706 CB LEU A 53 2.839 8.010 -3.966 1.00 0.00 C ATOM 707 CG LEU A 53 1.813 8.166 -2.836 1.00 0.00 C ATOM 708 CD1 LEU A 53 0.425 8.417 -3.403 1.00 0.00 C ATOM 709 CD2 LEU A 53 1.806 6.942 -1.934 1.00 0.00 C ATOM 0 H LEU A 53 4.017 5.792 -3.913 1.00 0.00 H new ATOM 0 HA LEU A 53 1.495 6.710 -5.010 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.821 7.853 -3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.886 8.948 -4.519 1.00 0.00 H new ATOM 0 HG LEU A 53 2.102 9.028 -2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.288 8.525 -2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.435 9.330 -3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.131 7.577 -4.032 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.070 7.078 -1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.549 6.060 -2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.794 6.809 -1.493 1.00 0.00 H new ATOM 721 N ILE A 54 2.272 6.985 -7.379 1.00 0.00 N ATOM 722 CA ILE A 54 2.661 7.318 -8.740 1.00 0.00 C ATOM 723 C ILE A 54 2.537 8.820 -8.956 1.00 0.00 C ATOM 724 O ILE A 54 1.503 9.335 -9.383 1.00 0.00 O ATOM 725 CB ILE A 54 1.837 6.546 -9.796 1.00 0.00 C ATOM 726 CG1 ILE A 54 1.997 5.037 -9.579 1.00 0.00 C ATOM 727 CG2 ILE A 54 2.271 6.936 -11.209 1.00 0.00 C ATOM 728 CD1 ILE A 54 1.264 4.186 -10.595 1.00 0.00 C ATOM 0 H ILE A 54 1.351 6.555 -7.291 1.00 0.00 H new ATOM 0 HA ILE A 54 3.700 7.014 -8.871 1.00 0.00 H new ATOM 0 HB ILE A 54 0.785 6.809 -9.682 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.057 4.787 -9.609 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.637 4.784 -8.582 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.679 6.382 -11.937 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.117 8.005 -11.355 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.326 6.699 -11.344 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.427 3.132 -10.372 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.197 4.405 -10.551 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.639 4.408 -11.594 1.00 0.00 H new ATOM 740 N GLN A 55 3.607 9.508 -8.615 1.00 0.00 N ATOM 741 CA GLN A 55 3.681 10.953 -8.702 1.00 0.00 C ATOM 742 C GLN A 55 5.030 11.353 -9.276 1.00 0.00 C ATOM 743 O GLN A 55 5.134 12.316 -10.037 1.00 0.00 O ATOM 744 CB GLN A 55 3.482 11.550 -7.311 1.00 0.00 C ATOM 745 CG GLN A 55 4.270 10.812 -6.244 1.00 0.00 C ATOM 746 CD GLN A 55 3.954 11.260 -4.838 1.00 0.00 C ATOM 747 OE1 GLN A 55 4.805 11.188 -3.959 1.00 0.00 O ATOM 748 NE2 GLN A 55 2.730 11.714 -4.611 1.00 0.00 N ATOM 0 H GLN A 55 4.461 9.074 -8.265 1.00 0.00 H new ATOM 0 HA GLN A 55 2.899 11.333 -9.359 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.784 12.597 -7.322 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.422 11.526 -7.057 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.069 9.744 -6.330 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.335 10.951 -6.430 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.053 11.757 -5.372 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.465 12.021 -3.675 1.00 0.00 H new ATOM 862 N ASP A 64 -5.325 13.206 -10.499 1.00 0.00 N ATOM 863 CA ASP A 64 -5.387 12.373 -9.295 1.00 0.00 C ATOM 864 C ASP A 64 -4.255 11.358 -9.286 1.00 0.00 C ATOM 865 O ASP A 64 -3.827 10.886 -10.334 1.00 0.00 O ATOM 866 CB ASP A 64 -6.729 11.637 -9.207 1.00 0.00 C ATOM 867 CG ASP A 64 -7.911 12.573 -9.064 1.00 0.00 C ATOM 868 OD1 ASP A 64 -8.390 13.085 -10.095 1.00 0.00 O ATOM 869 OD2 ASP A 64 -8.372 12.797 -7.921 1.00 0.00 O ATOM 0 HA ASP A 64 -5.286 13.032 -8.432 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.862 11.028 -10.101 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.708 10.955 -8.357 1.00 0.00 H new ATOM 874 N LYS A 65 -3.807 10.998 -8.102 1.00 0.00 N ATOM 875 CA LYS A 65 -2.602 10.198 -7.946 1.00 0.00 C ATOM 876 C LYS A 65 -2.932 8.729 -7.788 1.00 0.00 C ATOM 877 O LYS A 65 -3.719 8.357 -6.918 1.00 0.00 O ATOM 878 CB LYS A 65 -1.808 10.675 -6.731 1.00 0.00 C ATOM 879 CG LYS A 65 -1.481 12.157 -6.783 1.00 0.00 C ATOM 880 CD LYS A 65 -0.696 12.502 -8.035 1.00 0.00 C ATOM 881 CE LYS A 65 -0.586 14.005 -8.225 1.00 0.00 C ATOM 882 NZ LYS A 65 0.092 14.342 -9.499 1.00 0.00 N ATOM 0 H LYS A 65 -4.261 11.248 -7.224 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.003 10.321 -8.848 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.378 10.465 -5.826 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.881 10.106 -6.663 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.404 12.737 -6.758 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.905 12.436 -5.901 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.302 12.068 -7.971 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.182 12.059 -8.904 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.582 14.448 -8.213 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.034 14.439 -7.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.151 15.376 -9.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.051 13.939 -9.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.449 13.948 -10.295 1.00 0.00 H new ATOM 896 N PRO A 66 -2.341 7.882 -8.636 1.00 0.00 N ATOM 897 CA PRO A 66 -2.479 6.435 -8.536 1.00 0.00 C ATOM 898 C PRO A 66 -1.737 5.891 -7.324 1.00 0.00 C ATOM 899 O PRO A 66 -0.503 5.842 -7.302 1.00 0.00 O ATOM 900 CB PRO A 66 -1.846 5.908 -9.831 1.00 0.00 C ATOM 901 CG PRO A 66 -1.669 7.103 -10.703 1.00 0.00 C ATOM 902 CD PRO A 66 -1.501 8.265 -9.770 1.00 0.00 C ATOM 0 HA PRO A 66 -3.518 6.130 -8.415 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.891 5.423 -9.632 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.487 5.166 -10.307 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.798 6.991 -11.349 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.532 7.245 -11.353 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.460 8.403 -9.476 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.831 9.200 -10.222 1.00 0.00 H new ATOM 910 N LEU A 67 -2.491 5.510 -6.312 1.00 0.00 N ATOM 911 CA LEU A 67 -1.919 4.950 -5.106 1.00 0.00 C ATOM 912 C LEU A 67 -2.155 3.455 -5.076 1.00 0.00 C ATOM 913 O LEU A 67 -3.291 3.006 -4.943 1.00 0.00 O ATOM 914 CB LEU A 67 -2.529 5.602 -3.861 1.00 0.00 C ATOM 915 CG LEU A 67 -2.271 4.854 -2.546 1.00 0.00 C ATOM 916 CD1 LEU A 67 -0.785 4.785 -2.236 1.00 0.00 C ATOM 917 CD2 LEU A 67 -3.020 5.508 -1.399 1.00 0.00 C ATOM 0 H LEU A 67 -3.509 5.579 -6.303 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.847 5.148 -5.105 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.135 6.614 -3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.606 5.691 -4.006 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.640 3.835 -2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.633 4.250 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.269 4.261 -3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.385 5.795 -2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.823 4.961 -0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.686 6.540 -1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.090 5.493 -1.608 1.00 0.00 H new ATOM 929 N ARG A 68 -1.090 2.690 -5.222 1.00 0.00 N ATOM 930 CA ARG A 68 -1.194 1.247 -5.160 1.00 0.00 C ATOM 931 C ARG A 68 -0.734 0.729 -3.816 1.00 0.00 C ATOM 932 O ARG A 68 0.454 0.784 -3.488 1.00 0.00 O ATOM 933 CB ARG A 68 -0.391 0.581 -6.275 1.00 0.00 C ATOM 934 CG ARG A 68 -0.989 0.799 -7.646 1.00 0.00 C ATOM 935 CD ARG A 68 -0.256 0.019 -8.722 1.00 0.00 C ATOM 936 NE ARG A 68 -0.885 0.211 -10.025 1.00 0.00 N ATOM 937 CZ ARG A 68 -0.303 -0.023 -11.195 1.00 0.00 C ATOM 938 NH1 ARG A 68 0.973 -0.394 -11.254 1.00 0.00 N ATOM 939 NH2 ARG A 68 -1.002 0.145 -12.305 1.00 0.00 N ATOM 0 H ARG A 68 -0.147 3.043 -5.384 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.245 0.993 -5.295 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.627 0.969 -6.263 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.326 -0.489 -6.079 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.038 0.501 -7.635 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.962 1.862 -7.888 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.784 0.341 -8.765 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.251 -1.041 -8.469 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.846 0.551 -10.038 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.513 -0.501 -10.395 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.411 -0.572 -12.158 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.974 0.450 -12.254 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.569 -0.031 -13.212 1.00 0.00 H new ATOM 953 N ILE A 69 -1.685 0.258 -3.030 1.00 0.00 N ATOM 954 CA ILE A 69 -1.372 -0.419 -1.789 1.00 0.00 C ATOM 955 C ILE A 69 -1.231 -1.904 -2.086 1.00 0.00 C ATOM 956 O ILE A 69 -2.225 -2.594 -2.307 1.00 0.00 O ATOM 957 CB ILE A 69 -2.460 -0.216 -0.704 1.00 0.00 C ATOM 958 CG1 ILE A 69 -2.756 1.270 -0.474 1.00 0.00 C ATOM 959 CG2 ILE A 69 -2.032 -0.868 0.600 1.00 0.00 C ATOM 960 CD1 ILE A 69 -3.736 1.856 -1.467 1.00 0.00 C ATOM 0 H ILE A 69 -2.682 0.333 -3.231 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.448 0.004 -1.395 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.375 -0.690 -1.061 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.151 1.401 0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.822 1.830 -0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.806 -0.718 1.353 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.883 -1.936 0.441 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.100 -0.419 0.943 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.896 2.910 -1.241 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.335 1.758 -2.476 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.684 1.323 -1.400 1.00 0.00 H new ATOM 972 N ILE A 70 0.003 -2.376 -2.123 1.00 0.00 N ATOM 973 CA ILE A 70 0.288 -3.746 -2.507 1.00 0.00 C ATOM 974 C ILE A 70 0.631 -4.585 -1.283 1.00 0.00 C ATOM 975 O ILE A 70 1.565 -4.274 -0.545 1.00 0.00 O ATOM 976 CB ILE A 70 1.454 -3.811 -3.515 1.00 0.00 C ATOM 977 CG1 ILE A 70 1.277 -2.751 -4.610 1.00 0.00 C ATOM 978 CG2 ILE A 70 1.531 -5.197 -4.135 1.00 0.00 C ATOM 979 CD1 ILE A 70 2.423 -2.691 -5.597 1.00 0.00 C ATOM 0 H ILE A 70 0.829 -1.825 -1.890 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.608 -4.147 -2.981 1.00 0.00 H new ATOM 0 HB ILE A 70 2.384 -3.608 -2.984 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.354 -2.954 -5.152 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.163 -1.774 -4.141 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.357 -5.233 -4.845 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.694 -5.937 -3.352 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.597 -5.416 -4.653 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.224 -1.918 -6.339 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.347 -2.457 -5.068 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.525 -3.655 -6.095 1.00 0.00 H new ATOM 991 N GLY A 71 -0.136 -5.639 -1.070 1.00 0.00 N ATOM 992 CA GLY A 71 0.091 -6.514 0.057 1.00 0.00 C ATOM 993 C GLY A 71 -0.964 -7.595 0.158 1.00 0.00 C ATOM 994 O GLY A 71 -1.200 -8.334 -0.795 1.00 0.00 O ATOM 0 H GLY A 71 -0.920 -5.907 -1.665 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.075 -6.975 -0.034 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.098 -5.927 0.976 1.00 0.00 H new ATOM 998 N ASP A 72 -1.597 -7.682 1.313 1.00 0.00 N ATOM 999 CA ASP A 72 -2.644 -8.668 1.559 1.00 0.00 C ATOM 1000 C ASP A 72 -3.958 -7.944 1.775 1.00 0.00 C ATOM 1001 O ASP A 72 -3.946 -6.878 2.384 1.00 0.00 O ATOM 1002 CB ASP A 72 -2.291 -9.500 2.796 1.00 0.00 C ATOM 1003 CG ASP A 72 -3.375 -10.487 3.176 1.00 0.00 C ATOM 1004 OD1 ASP A 72 -3.344 -11.631 2.679 1.00 0.00 O ATOM 1005 OD2 ASP A 72 -4.261 -10.120 3.977 1.00 0.00 O ATOM 0 H ASP A 72 -1.404 -7.074 2.109 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.733 -9.337 0.703 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.364 -10.042 2.610 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.106 -8.831 3.636 1.00 0.00 H new ATOM 1010 N PRO A 73 -5.096 -8.486 1.288 1.00 0.00 N ATOM 1011 CA PRO A 73 -6.395 -7.795 1.328 1.00 0.00 C ATOM 1012 C PRO A 73 -6.657 -7.109 2.664 1.00 0.00 C ATOM 1013 O PRO A 73 -7.162 -5.985 2.715 1.00 0.00 O ATOM 1014 CB PRO A 73 -7.394 -8.930 1.110 1.00 0.00 C ATOM 1015 CG PRO A 73 -6.660 -9.920 0.272 1.00 0.00 C ATOM 1016 CD PRO A 73 -5.215 -9.829 0.681 1.00 0.00 C ATOM 0 HA PRO A 73 -6.454 -6.997 0.588 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.709 -9.368 2.057 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.294 -8.575 0.608 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.047 -10.927 0.431 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.779 -9.696 -0.788 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -4.952 -10.612 1.392 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.550 -9.940 -0.176 1.00 0.00 H new ATOM 1024 N TYR A 74 -6.265 -7.788 3.735 1.00 0.00 N ATOM 1025 CA TYR A 74 -6.476 -7.304 5.086 1.00 0.00 C ATOM 1026 C TYR A 74 -5.713 -6.000 5.335 1.00 0.00 C ATOM 1027 O TYR A 74 -6.308 -4.974 5.670 1.00 0.00 O ATOM 1028 CB TYR A 74 -6.030 -8.385 6.072 1.00 0.00 C ATOM 1029 CG TYR A 74 -6.339 -8.094 7.524 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -7.600 -8.349 8.050 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -5.360 -7.590 8.374 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -7.882 -8.101 9.380 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -5.634 -7.345 9.706 1.00 0.00 C ATOM 1034 CZ TYR A 74 -6.895 -7.603 10.204 1.00 0.00 C ATOM 1035 OH TYR A 74 -7.168 -7.366 11.532 1.00 0.00 O ATOM 0 H TYR A 74 -5.792 -8.690 3.687 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.536 -7.090 5.227 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.507 -9.326 5.796 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.955 -8.530 5.967 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.372 -8.748 7.409 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.372 -7.387 7.988 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.869 -8.296 9.772 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.865 -6.953 10.355 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.366 -7.017 11.974 1.00 0.00 H new ATOM 1045 N LYS A 75 -4.398 -6.039 5.152 1.00 0.00 N ATOM 1046 CA LYS A 75 -3.566 -4.867 5.397 1.00 0.00 C ATOM 1047 C LYS A 75 -3.695 -3.847 4.279 1.00 0.00 C ATOM 1048 O LYS A 75 -3.560 -2.654 4.517 1.00 0.00 O ATOM 1049 CB LYS A 75 -2.097 -5.243 5.590 1.00 0.00 C ATOM 1050 CG LYS A 75 -1.591 -6.325 4.655 1.00 0.00 C ATOM 1051 CD LYS A 75 -0.155 -6.681 4.994 1.00 0.00 C ATOM 1052 CE LYS A 75 0.344 -7.883 4.220 1.00 0.00 C ATOM 1053 NZ LYS A 75 1.765 -8.172 4.542 1.00 0.00 N ATOM 0 H LYS A 75 -3.888 -6.864 4.837 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.929 -4.418 6.321 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.487 -4.350 5.454 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.953 -5.574 6.618 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.222 -7.210 4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.654 -5.982 3.622 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.487 -5.826 4.784 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.077 -6.883 6.062 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.270 -8.752 4.456 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.240 -7.700 3.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.162 -8.808 3.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.306 -7.284 4.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.824 -8.627 5.475 1.00 0.00 H new ATOM 1067 N VAL A 76 -3.952 -4.311 3.062 1.00 0.00 N ATOM 1068 CA VAL A 76 -4.170 -3.407 1.941 1.00 0.00 C ATOM 1069 C VAL A 76 -5.321 -2.460 2.251 1.00 0.00 C ATOM 1070 O VAL A 76 -5.248 -1.261 1.970 1.00 0.00 O ATOM 1071 CB VAL A 76 -4.456 -4.170 0.626 1.00 0.00 C ATOM 1072 CG1 VAL A 76 -4.946 -3.228 -0.462 1.00 0.00 C ATOM 1073 CG2 VAL A 76 -3.208 -4.895 0.157 1.00 0.00 C ATOM 0 H VAL A 76 -4.014 -5.302 2.828 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.252 -2.837 1.798 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.242 -4.899 0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.138 -3.794 -1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.866 -2.742 -0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.186 -2.472 -0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.423 -5.428 -0.769 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.411 -4.172 -0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.892 -5.607 0.920 1.00 0.00 H new ATOM 1083 N GLN A 77 -6.368 -2.988 2.866 1.00 0.00 N ATOM 1084 CA GLN A 77 -7.505 -2.164 3.220 1.00 0.00 C ATOM 1085 C GLN A 77 -7.182 -1.265 4.400 1.00 0.00 C ATOM 1086 O GLN A 77 -7.468 -0.072 4.364 1.00 0.00 O ATOM 1087 CB GLN A 77 -8.745 -3.003 3.515 1.00 0.00 C ATOM 1088 CG GLN A 77 -9.819 -2.844 2.453 1.00 0.00 C ATOM 1089 CD GLN A 77 -10.185 -1.386 2.212 1.00 0.00 C ATOM 1090 OE1 GLN A 77 -10.524 -0.996 1.095 1.00 0.00 O ATOM 1091 NE2 GLN A 77 -10.124 -0.572 3.259 1.00 0.00 N ATOM 0 H GLN A 77 -6.451 -3.971 3.126 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.726 -1.537 2.356 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.461 -4.053 3.586 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -9.152 -2.716 4.485 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -9.472 -3.288 1.520 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -10.710 -3.394 2.756 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -9.838 -0.933 4.169 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -10.363 0.414 3.153 1.00 0.00 H new ATOM 1100 N GLN A 78 -6.564 -1.822 5.433 1.00 0.00 N ATOM 1101 CA GLN A 78 -6.232 -1.027 6.611 1.00 0.00 C ATOM 1102 C GLN A 78 -5.244 0.075 6.267 1.00 0.00 C ATOM 1103 O GLN A 78 -5.329 1.185 6.791 1.00 0.00 O ATOM 1104 CB GLN A 78 -5.668 -1.892 7.729 1.00 0.00 C ATOM 1105 CG GLN A 78 -6.717 -2.755 8.409 1.00 0.00 C ATOM 1106 CD GLN A 78 -6.285 -3.260 9.774 1.00 0.00 C ATOM 1107 OE1 GLN A 78 -5.558 -2.442 10.524 1.00 0.00 O flip ATOM 1108 NE2 GLN A 78 -6.646 -4.364 10.171 1.00 0.00 N flip ATOM 0 H GLN A 78 -6.286 -2.802 5.482 1.00 0.00 H new ATOM 0 HA GLN A 78 -7.160 -0.574 6.961 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.887 -2.534 7.323 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.198 -1.250 8.474 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.637 -2.180 8.516 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.947 -3.607 7.770 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.204 -4.966 9.566 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -6.388 -4.679 11.106 1.00 0.00 H new ATOM 1117 N ALA A 79 -4.307 -0.237 5.389 1.00 0.00 N ATOM 1118 CA ALA A 79 -3.344 0.742 4.924 1.00 0.00 C ATOM 1119 C ALA A 79 -4.039 1.807 4.087 1.00 0.00 C ATOM 1120 O ALA A 79 -3.701 2.986 4.158 1.00 0.00 O ATOM 1121 CB ALA A 79 -2.244 0.061 4.128 1.00 0.00 C ATOM 0 H ALA A 79 -4.194 -1.166 4.983 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.889 1.228 5.787 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.528 0.808 3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.735 -0.667 4.760 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.679 -0.447 3.267 1.00 0.00 H new ATOM 1127 N CYS A 80 -5.019 1.378 3.297 1.00 0.00 N ATOM 1128 CA CYS A 80 -5.829 2.294 2.508 1.00 0.00 C ATOM 1129 C CYS A 80 -6.627 3.218 3.414 1.00 0.00 C ATOM 1130 O CYS A 80 -6.638 4.430 3.215 1.00 0.00 O ATOM 1131 CB CYS A 80 -6.772 1.517 1.587 1.00 0.00 C ATOM 1132 SG CYS A 80 -7.934 2.554 0.671 1.00 0.00 S ATOM 0 H CYS A 80 -5.271 0.396 3.188 1.00 0.00 H new ATOM 0 HA CYS A 80 -5.161 2.899 1.895 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -6.177 0.943 0.877 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -7.335 0.800 2.184 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.685 1.805 -0.080 1.00 0.00 H new ATOM 1138 N GLU A 81 -7.286 2.643 4.411 1.00 0.00 N ATOM 1139 CA GLU A 81 -8.036 3.427 5.381 1.00 0.00 C ATOM 1140 C GLU A 81 -7.104 4.367 6.122 1.00 0.00 C ATOM 1141 O GLU A 81 -7.453 5.509 6.395 1.00 0.00 O ATOM 1142 CB GLU A 81 -8.752 2.513 6.373 1.00 0.00 C ATOM 1143 CG GLU A 81 -9.753 1.586 5.714 1.00 0.00 C ATOM 1144 CD GLU A 81 -10.383 0.613 6.688 1.00 0.00 C ATOM 1145 OE1 GLU A 81 -9.637 -0.141 7.345 1.00 0.00 O ATOM 1146 OE2 GLU A 81 -11.627 0.580 6.781 1.00 0.00 O ATOM 0 H GLU A 81 -7.316 1.636 4.569 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.784 4.013 4.847 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.012 1.917 6.908 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.266 3.124 7.115 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.536 2.180 5.244 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.256 1.028 4.920 1.00 0.00 H new ATOM 1153 N MET A 82 -5.910 3.875 6.419 1.00 0.00 N ATOM 1154 CA MET A 82 -4.897 4.658 7.123 1.00 0.00 C ATOM 1155 C MET A 82 -4.503 5.902 6.326 1.00 0.00 C ATOM 1156 O MET A 82 -4.498 7.010 6.859 1.00 0.00 O ATOM 1157 CB MET A 82 -3.653 3.803 7.399 1.00 0.00 C ATOM 1158 CG MET A 82 -2.558 4.532 8.162 1.00 0.00 C ATOM 1159 SD MET A 82 -1.129 3.481 8.502 1.00 0.00 S ATOM 1160 CE MET A 82 -0.686 2.954 6.849 1.00 0.00 C ATOM 0 H MET A 82 -5.614 2.928 6.182 1.00 0.00 H new ATOM 0 HA MET A 82 -5.329 4.980 8.071 1.00 0.00 H new ATOM 0 HB2 MET A 82 -3.950 2.920 7.965 1.00 0.00 H new ATOM 0 HB3 MET A 82 -3.248 3.452 6.450 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.237 5.401 7.587 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.962 4.904 9.103 1.00 0.00 H new ATOM 0 HE1 MET A 82 0.396 2.846 6.779 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.161 1.997 6.633 1.00 0.00 H new ATOM 0 HE3 MET A 82 -1.024 3.698 6.127 1.00 0.00 H new ATOM 1170 N VAL A 83 -4.196 5.722 5.043 1.00 0.00 N ATOM 1171 CA VAL A 83 -3.741 6.836 4.217 1.00 0.00 C ATOM 1172 C VAL A 83 -4.912 7.718 3.801 1.00 0.00 C ATOM 1173 O VAL A 83 -4.771 8.932 3.672 1.00 0.00 O ATOM 1174 CB VAL A 83 -2.969 6.365 2.964 1.00 0.00 C ATOM 1175 CG1 VAL A 83 -1.687 5.659 3.368 1.00 0.00 C ATOM 1176 CG2 VAL A 83 -3.826 5.458 2.092 1.00 0.00 C ATOM 0 H VAL A 83 -4.253 4.826 4.558 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.052 7.416 4.831 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.715 7.247 2.376 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.154 5.333 2.475 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.058 6.344 3.936 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.927 4.792 3.984 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.253 5.145 1.219 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.125 4.580 2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.715 5.999 1.767 1.00 0.00 H new ATOM 1186 N MET A 84 -6.069 7.099 3.609 1.00 0.00 N ATOM 1187 CA MET A 84 -7.282 7.834 3.294 1.00 0.00 C ATOM 1188 C MET A 84 -7.690 8.675 4.494 1.00 0.00 C ATOM 1189 O MET A 84 -8.212 9.779 4.352 1.00 0.00 O ATOM 1190 CB MET A 84 -8.408 6.867 2.916 1.00 0.00 C ATOM 1191 CG MET A 84 -9.689 7.558 2.490 1.00 0.00 C ATOM 1192 SD MET A 84 -11.019 6.399 2.111 1.00 0.00 S ATOM 1193 CE MET A 84 -11.225 5.585 3.694 1.00 0.00 C ATOM 0 H MET A 84 -6.191 6.088 3.666 1.00 0.00 H new ATOM 0 HA MET A 84 -7.093 8.489 2.443 1.00 0.00 H new ATOM 0 HB2 MET A 84 -8.066 6.224 2.105 1.00 0.00 H new ATOM 0 HB3 MET A 84 -8.620 6.220 3.767 1.00 0.00 H new ATOM 0 HG2 MET A 84 -10.015 8.230 3.284 1.00 0.00 H new ATOM 0 HG3 MET A 84 -9.489 8.174 1.613 1.00 0.00 H new ATOM 0 HE1 MET A 84 -12.285 5.413 3.879 1.00 0.00 H new ATOM 0 HE2 MET A 84 -10.699 4.631 3.684 1.00 0.00 H new ATOM 0 HE3 MET A 84 -10.817 6.216 4.483 1.00 0.00 H new ATOM 1203 N ASP A 85 -7.420 8.144 5.680 1.00 0.00 N ATOM 1204 CA ASP A 85 -7.713 8.845 6.921 1.00 0.00 C ATOM 1205 C ASP A 85 -6.828 10.072 7.065 1.00 0.00 C ATOM 1206 O ASP A 85 -7.248 11.074 7.629 1.00 0.00 O ATOM 1207 CB ASP A 85 -7.537 7.920 8.124 1.00 0.00 C ATOM 1208 CG ASP A 85 -7.942 8.574 9.427 1.00 0.00 C ATOM 1209 OD1 ASP A 85 -9.115 8.993 9.544 1.00 0.00 O ATOM 1210 OD2 ASP A 85 -7.101 8.662 10.342 1.00 0.00 O ATOM 0 H ASP A 85 -6.996 7.225 5.807 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.753 9.169 6.887 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.131 7.019 7.974 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.495 7.607 8.188 1.00 0.00 H new ATOM 1215 N ILE A 86 -5.612 10.002 6.522 1.00 0.00 N ATOM 1216 CA ILE A 86 -4.698 11.147 6.528 1.00 0.00 C ATOM 1217 C ILE A 86 -5.312 12.315 5.759 1.00 0.00 C ATOM 1218 O ILE A 86 -5.075 13.482 6.070 1.00 0.00 O ATOM 1219 CB ILE A 86 -3.325 10.789 5.903 1.00 0.00 C ATOM 1220 CG1 ILE A 86 -2.695 9.606 6.638 1.00 0.00 C ATOM 1221 CG2 ILE A 86 -2.387 11.985 5.939 1.00 0.00 C ATOM 1222 CD1 ILE A 86 -1.354 9.173 6.077 1.00 0.00 C ATOM 0 H ILE A 86 -5.237 9.167 6.073 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.538 11.430 7.568 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.490 10.510 4.862 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.570 9.869 7.688 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.382 8.761 6.601 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.430 11.710 5.495 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.825 12.808 5.375 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.232 12.295 6.972 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.974 8.329 6.653 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.474 8.876 5.035 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.649 10.002 6.139 1.00 0.00 H new ATOM 1234 N LEU A 87 -6.122 11.986 4.765 1.00 0.00 N ATOM 1235 CA LEU A 87 -6.802 12.988 3.956 1.00 0.00 C ATOM 1236 C LEU A 87 -8.137 13.376 4.586 1.00 0.00 C ATOM 1237 O LEU A 87 -8.815 14.291 4.116 1.00 0.00 O ATOM 1238 CB LEU A 87 -7.035 12.446 2.540 1.00 0.00 C ATOM 1239 CG LEU A 87 -5.927 12.717 1.516 1.00 0.00 C ATOM 1240 CD1 LEU A 87 -4.560 12.355 2.065 1.00 0.00 C ATOM 1241 CD2 LEU A 87 -6.203 11.948 0.234 1.00 0.00 C ATOM 0 H LEU A 87 -6.326 11.023 4.497 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.171 13.875 3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.182 11.368 2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.963 12.872 2.160 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.923 13.785 1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.799 12.560 1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.357 12.948 2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.540 11.296 2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.410 12.147 -0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.237 10.880 0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.160 12.265 -0.181 1.00 0.00 H new ATOM 1253 N ARG A 88 -8.501 12.678 5.651 1.00 0.00 N ATOM 1254 CA ARG A 88 -9.789 12.862 6.295 1.00 0.00 C ATOM 1255 C ARG A 88 -9.613 13.427 7.705 1.00 0.00 C ATOM 1256 O ARG A 88 -10.581 13.746 8.394 1.00 0.00 O ATOM 1257 CB ARG A 88 -10.517 11.510 6.312 1.00 0.00 C ATOM 1258 CG ARG A 88 -11.947 11.553 6.823 1.00 0.00 C ATOM 1259 CD ARG A 88 -12.055 11.059 8.260 1.00 0.00 C ATOM 1260 NE ARG A 88 -11.452 9.736 8.434 1.00 0.00 N ATOM 1261 CZ ARG A 88 -12.101 8.582 8.266 1.00 0.00 C ATOM 1262 NH1 ARG A 88 -13.387 8.575 7.938 1.00 0.00 N ATOM 1263 NH2 ARG A 88 -11.458 7.435 8.447 1.00 0.00 N ATOM 0 H ARG A 88 -7.913 11.970 6.091 1.00 0.00 H new ATOM 0 HA ARG A 88 -10.388 13.585 5.740 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -10.522 11.105 5.300 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -9.948 10.816 6.931 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -12.323 12.574 6.762 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.580 10.941 6.181 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -11.566 11.770 8.925 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.105 11.020 8.552 1.00 0.00 H new ATOM 0 HE ARG A 88 -10.469 9.694 8.702 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -13.886 9.456 7.813 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -13.876 7.689 7.811 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -10.473 7.439 8.713 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -11.949 6.550 8.320 1.00 0.00 H new ATOM 1277 N GLU A 89 -8.368 13.571 8.114 1.00 0.00 N ATOM 1278 CA GLU A 89 -8.054 14.043 9.454 1.00 0.00 C ATOM 1279 C GLU A 89 -7.657 15.517 9.433 1.00 0.00 C ATOM 1280 O GLU A 89 -6.614 15.860 8.834 1.00 0.00 O ATOM 1281 CB GLU A 89 -6.953 13.186 10.093 1.00 0.00 C ATOM 1282 CG GLU A 89 -5.656 13.139 9.303 1.00 0.00 C ATOM 1283 CD GLU A 89 -4.535 12.490 10.074 1.00 0.00 C ATOM 1284 OE1 GLU A 89 -3.976 13.152 10.976 1.00 0.00 O ATOM 1285 OE2 GLU A 89 -4.193 11.326 9.783 1.00 0.00 O ATOM 1286 OXT GLU A 89 -8.394 16.331 10.017 1.00 0.00 O ATOM 0 H GLU A 89 -7.552 13.368 7.537 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.952 13.946 10.065 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.743 13.571 11.091 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.326 12.169 10.216 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.819 12.591 8.375 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.365 14.153 9.028 1.00 0.00 H new