USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 500 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 42:sc= -2.98! USER MOD Single : A 15 ASN : amide:sc=-0.00266 K(o=-0.0027,f=-1.2) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= -0.032 (180deg=-0.032) USER MOD Single : A 18 LYS NZ :NH3+ 168:sc=-0.00654 (180deg=-0.197) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.736 USER MOD Single : A 36 HIS : no HD1:sc= -1.5 X(o=-1.5,f=-1.2) USER MOD Single : A 37 THR OG1 : rot 83:sc= 1.24 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -2.75 K(o=-2.8,f=-0.51) USER MOD Single : A 69 GLN : amide:sc= 0.558 K(o=0.56,f=-2.5!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : B 3 GLN : amide:sc= -5.94! K(o=-5.9!,f=-2.6) USER MOD Single : B 4 MET CE :methyl -162:sc= -0.145 (180deg=-0.816) USER MOD Single : B 11 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 131 N ALA A 10 -7.044 7.887 -4.300 1.00 0.00 N ATOM 132 CA ALA A 10 -6.313 6.907 -3.509 1.00 0.00 C ATOM 133 C ALA A 10 -7.001 6.671 -2.171 1.00 0.00 C ATOM 134 O ALA A 10 -7.070 5.537 -1.686 1.00 0.00 O ATOM 135 CB ALA A 10 -4.880 7.369 -3.295 1.00 0.00 C ATOM 0 HA ALA A 10 -6.300 5.964 -4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.344 6.628 -2.702 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.388 7.487 -4.260 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.880 8.324 -2.769 1.00 0.00 H new ATOM 141 N ILE A 11 -7.514 7.749 -1.578 1.00 0.00 N ATOM 142 CA ILE A 11 -8.204 7.656 -0.298 1.00 0.00 C ATOM 143 C ILE A 11 -9.294 6.599 -0.363 1.00 0.00 C ATOM 144 O ILE A 11 -9.472 5.816 0.565 1.00 0.00 O ATOM 145 CB ILE A 11 -8.859 8.988 0.110 1.00 0.00 C ATOM 146 CG1 ILE A 11 -7.850 10.139 0.058 1.00 0.00 C ATOM 147 CG2 ILE A 11 -9.455 8.861 1.501 1.00 0.00 C ATOM 148 CD1 ILE A 11 -6.691 9.990 1.019 1.00 0.00 C ATOM 0 H ILE A 11 -7.464 8.692 -1.964 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.449 7.392 0.442 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.655 9.215 -0.600 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.459 10.219 -0.956 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.369 11.073 0.274 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.918 9.806 1.786 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.208 8.073 1.504 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.668 8.613 2.213 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.023 10.846 0.919 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.069 9.942 2.040 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.144 9.075 0.791 1.00 0.00 H new ATOM 160 N SER A 12 -10.024 6.596 -1.473 1.00 0.00 N ATOM 161 CA SER A 12 -11.109 5.645 -1.677 1.00 0.00 C ATOM 162 C SER A 12 -10.620 4.210 -1.511 1.00 0.00 C ATOM 163 O SER A 12 -11.333 3.367 -0.970 1.00 0.00 O ATOM 164 CB SER A 12 -11.723 5.830 -3.065 1.00 0.00 C ATOM 165 OG SER A 12 -12.790 4.921 -3.277 1.00 0.00 O ATOM 0 H SER A 12 -9.883 7.244 -2.248 1.00 0.00 H new ATOM 0 HA SER A 12 -11.870 5.837 -0.921 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.086 6.852 -3.172 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.958 5.682 -3.827 1.00 0.00 H new ATOM 0 HG SER A 12 -13.166 5.061 -4.171 1.00 0.00 H new ATOM 171 N TYR A 13 -9.406 3.933 -1.980 1.00 0.00 N ATOM 172 CA TYR A 13 -8.847 2.592 -1.875 1.00 0.00 C ATOM 173 C TYR A 13 -8.572 2.231 -0.420 1.00 0.00 C ATOM 174 O TYR A 13 -9.077 1.231 0.086 1.00 0.00 O ATOM 175 CB TYR A 13 -7.555 2.479 -2.683 1.00 0.00 C ATOM 176 CG TYR A 13 -6.998 1.074 -2.725 1.00 0.00 C ATOM 177 CD1 TYR A 13 -7.824 -0.009 -3.005 1.00 0.00 C ATOM 178 CD2 TYR A 13 -5.653 0.826 -2.478 1.00 0.00 C ATOM 179 CE1 TYR A 13 -7.326 -1.296 -3.036 1.00 0.00 C ATOM 180 CE2 TYR A 13 -5.148 -0.460 -2.511 1.00 0.00 C ATOM 181 CZ TYR A 13 -5.989 -1.516 -2.790 1.00 0.00 C ATOM 182 OH TYR A 13 -5.494 -2.799 -2.818 1.00 0.00 O ATOM 0 H TYR A 13 -8.796 4.614 -2.432 1.00 0.00 H new ATOM 0 HA TYR A 13 -9.581 1.895 -2.279 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -7.741 2.820 -3.702 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.807 3.146 -2.255 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -8.873 0.160 -3.201 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.992 1.651 -2.257 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.982 -2.126 -3.252 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.100 -0.637 -2.319 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.886 -3.284 -3.574 1.00 0.00 H new ATOM 192 N VAL A 14 -7.767 3.053 0.246 1.00 0.00 N ATOM 193 CA VAL A 14 -7.422 2.819 1.647 1.00 0.00 C ATOM 194 C VAL A 14 -8.673 2.748 2.515 1.00 0.00 C ATOM 195 O VAL A 14 -8.771 1.927 3.427 1.00 0.00 O ATOM 196 CB VAL A 14 -6.503 3.928 2.194 1.00 0.00 C ATOM 197 CG1 VAL A 14 -6.079 3.619 3.622 1.00 0.00 C ATOM 198 CG2 VAL A 14 -5.286 4.109 1.298 1.00 0.00 C ATOM 0 H VAL A 14 -7.341 3.886 -0.160 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.895 1.865 1.686 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.063 4.863 2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.431 4.414 3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.962 3.549 4.257 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.540 2.672 3.645 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.650 4.897 1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.724 3.176 1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.611 4.384 0.295 1.00 0.00 H new ATOM 208 N ASN A 15 -9.621 3.627 2.223 1.00 0.00 N ATOM 209 CA ASN A 15 -10.875 3.701 2.960 1.00 0.00 C ATOM 210 C ASN A 15 -11.694 2.437 2.771 1.00 0.00 C ATOM 211 O ASN A 15 -12.085 1.783 3.737 1.00 0.00 O ATOM 212 CB ASN A 15 -11.665 4.905 2.473 1.00 0.00 C ATOM 213 CG ASN A 15 -12.809 5.281 3.392 1.00 0.00 C ATOM 214 OD1 ASN A 15 -12.699 5.181 4.615 1.00 0.00 O ATOM 215 ND2 ASN A 15 -13.896 5.760 2.805 1.00 0.00 N ATOM 0 H ASN A 15 -9.543 4.309 1.469 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.654 3.803 4.022 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -10.992 5.757 2.374 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.060 4.694 1.479 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.688 6.065 3.370 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -13.940 5.824 1.788 1.00 0.00 H new ATOM 222 N LYS A 16 -11.947 2.103 1.514 1.00 0.00 N ATOM 223 CA LYS A 16 -12.720 0.911 1.176 1.00 0.00 C ATOM 224 C LYS A 16 -12.113 -0.313 1.848 1.00 0.00 C ATOM 225 O LYS A 16 -12.828 -1.178 2.348 1.00 0.00 O ATOM 226 CB LYS A 16 -12.766 0.704 -0.339 1.00 0.00 C ATOM 227 CG LYS A 16 -13.719 -0.395 -0.775 1.00 0.00 C ATOM 228 CD LYS A 16 -13.724 -0.563 -2.276 1.00 0.00 C ATOM 229 CE LYS A 16 -14.815 -1.522 -2.702 1.00 0.00 C ATOM 230 NZ LYS A 16 -14.548 -2.911 -2.241 1.00 0.00 N ATOM 0 H LYS A 16 -11.629 2.640 0.708 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.739 1.051 1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -13.060 1.639 -0.816 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.764 0.466 -0.695 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -13.431 -1.335 -0.304 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.727 -0.161 -0.431 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.875 0.404 -2.755 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.755 -0.935 -2.609 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -15.771 -1.185 -2.301 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -14.903 -1.511 -3.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -15.319 -3.535 -2.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.649 -3.244 -2.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.489 -2.927 -1.203 1.00 0.00 H new ATOM 244 N ILE A 17 -10.787 -0.367 1.869 1.00 0.00 N ATOM 245 CA ILE A 17 -10.079 -1.470 2.500 1.00 0.00 C ATOM 246 C ILE A 17 -10.393 -1.500 3.992 1.00 0.00 C ATOM 247 O ILE A 17 -10.533 -2.565 4.592 1.00 0.00 O ATOM 248 CB ILE A 17 -8.553 -1.346 2.300 1.00 0.00 C ATOM 249 CG1 ILE A 17 -8.197 -1.493 0.819 1.00 0.00 C ATOM 250 CG2 ILE A 17 -7.813 -2.382 3.134 1.00 0.00 C ATOM 251 CD1 ILE A 17 -6.732 -1.254 0.522 1.00 0.00 C ATOM 0 H ILE A 17 -10.181 0.342 1.455 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.413 -2.395 2.031 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.242 -0.357 2.635 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.468 -2.495 0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.796 -0.792 0.238 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.740 -2.276 2.977 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.042 -2.231 4.189 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.126 -3.382 2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.553 -1.375 -0.546 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.460 -0.242 0.823 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.127 -1.972 1.075 1.00 0.00 H new ATOM 263 N LYS A 18 -10.503 -0.312 4.577 1.00 0.00 N ATOM 264 CA LYS A 18 -10.800 -0.171 5.996 1.00 0.00 C ATOM 265 C LYS A 18 -12.205 -0.679 6.312 1.00 0.00 C ATOM 266 O LYS A 18 -12.403 -1.441 7.258 1.00 0.00 O ATOM 267 CB LYS A 18 -10.668 1.296 6.414 1.00 0.00 C ATOM 268 CG LYS A 18 -10.688 1.507 7.919 1.00 0.00 C ATOM 269 CD LYS A 18 -10.359 2.947 8.287 1.00 0.00 C ATOM 270 CE LYS A 18 -11.370 3.923 7.705 1.00 0.00 C ATOM 271 NZ LYS A 18 -12.749 3.655 8.198 1.00 0.00 N ATOM 0 H LYS A 18 -10.390 0.574 4.084 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.084 -0.772 6.557 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.737 1.697 6.012 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.481 1.867 5.965 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.671 1.246 8.311 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.969 0.837 8.391 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.338 3.049 9.372 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.362 3.196 7.924 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.083 4.942 7.966 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.354 3.856 6.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.369 4.452 7.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.111 2.784 7.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.732 3.542 9.232 1.00 0.00 H new ATOM 285 N THR A 19 -13.177 -0.247 5.512 1.00 0.00 N ATOM 286 CA THR A 19 -14.566 -0.651 5.701 1.00 0.00 C ATOM 287 C THR A 19 -14.768 -2.117 5.334 1.00 0.00 C ATOM 288 O THR A 19 -15.649 -2.788 5.871 1.00 0.00 O ATOM 289 CB THR A 19 -15.528 0.217 4.863 1.00 0.00 C ATOM 290 OG1 THR A 19 -16.883 -0.065 5.229 1.00 0.00 O ATOM 291 CG2 THR A 19 -15.344 -0.042 3.376 1.00 0.00 C ATOM 0 H THR A 19 -13.027 0.384 4.725 1.00 0.00 H new ATOM 0 HA THR A 19 -14.793 -0.510 6.758 1.00 0.00 H new ATOM 0 HB THR A 19 -15.301 1.264 5.065 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.488 0.490 4.695 1.00 0.00 H new ATOM 0 HG21 THR A 19 -16.034 0.583 2.810 1.00 0.00 H new ATOM 0 HG22 THR A 19 -14.320 0.197 3.089 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.546 -1.092 3.162 1.00 0.00 H new ATOM 299 N ARG A 20 -13.952 -2.607 4.409 1.00 0.00 N ATOM 300 CA ARG A 20 -14.049 -3.991 3.971 1.00 0.00 C ATOM 301 C ARG A 20 -13.704 -4.945 5.107 1.00 0.00 C ATOM 302 O ARG A 20 -14.501 -5.811 5.469 1.00 0.00 O ATOM 303 CB ARG A 20 -13.124 -4.235 2.774 1.00 0.00 C ATOM 304 CG ARG A 20 -13.030 -5.697 2.360 1.00 0.00 C ATOM 305 CD ARG A 20 -14.406 -6.302 2.135 1.00 0.00 C ATOM 306 NE ARG A 20 -14.329 -7.703 1.734 1.00 0.00 N ATOM 307 CZ ARG A 20 -15.393 -8.462 1.487 1.00 0.00 C ATOM 308 NH1 ARG A 20 -16.614 -7.957 1.605 1.00 0.00 N ATOM 309 NH2 ARG A 20 -15.236 -9.727 1.124 1.00 0.00 N ATOM 0 H ARG A 20 -13.218 -2.067 3.950 1.00 0.00 H new ATOM 0 HA ARG A 20 -15.078 -4.181 3.666 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.479 -3.649 1.926 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.126 -3.871 3.017 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.441 -5.780 1.447 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.505 -6.261 3.131 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.993 -6.219 3.050 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.931 -5.734 1.367 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.405 -8.125 1.637 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.739 -6.984 1.886 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -17.428 -8.541 1.415 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.299 -10.119 1.034 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -16.052 -10.308 0.935 1.00 0.00 H new ATOM 323 N PHE A 21 -12.511 -4.781 5.665 1.00 0.00 N ATOM 324 CA PHE A 21 -12.058 -5.629 6.760 1.00 0.00 C ATOM 325 C PHE A 21 -12.405 -5.025 8.120 1.00 0.00 C ATOM 326 O PHE A 21 -11.605 -5.092 9.054 1.00 0.00 O ATOM 327 CB PHE A 21 -10.552 -5.857 6.674 1.00 0.00 C ATOM 328 CG PHE A 21 -10.107 -6.581 5.435 1.00 0.00 C ATOM 329 CD1 PHE A 21 -10.005 -5.916 4.224 1.00 0.00 C ATOM 330 CD2 PHE A 21 -9.760 -7.920 5.491 1.00 0.00 C ATOM 331 CE1 PHE A 21 -9.573 -6.579 3.091 1.00 0.00 C ATOM 332 CE2 PHE A 21 -9.323 -8.586 4.365 1.00 0.00 C ATOM 333 CZ PHE A 21 -9.229 -7.916 3.162 1.00 0.00 C ATOM 0 H PHE A 21 -11.840 -4.069 5.377 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.576 -6.583 6.665 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.047 -4.892 6.718 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.232 -6.425 7.548 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.266 -4.870 4.165 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -9.832 -8.450 6.429 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.504 -6.053 2.150 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -9.055 -9.630 4.425 1.00 0.00 H new ATOM 0 HZ PHE A 21 -8.888 -8.435 2.278 1.00 0.00 H new ATOM 343 N LEU A 22 -13.599 -4.449 8.236 1.00 0.00 N ATOM 344 CA LEU A 22 -14.033 -3.856 9.498 1.00 0.00 C ATOM 345 C LEU A 22 -13.982 -4.886 10.622 1.00 0.00 C ATOM 346 O LEU A 22 -13.722 -4.550 11.776 1.00 0.00 O ATOM 347 CB LEU A 22 -15.446 -3.283 9.373 1.00 0.00 C ATOM 348 CG LEU A 22 -15.542 -1.933 8.660 1.00 0.00 C ATOM 349 CD1 LEU A 22 -16.995 -1.515 8.500 1.00 0.00 C ATOM 350 CD2 LEU A 22 -14.764 -0.871 9.425 1.00 0.00 C ATOM 0 H LEU A 22 -14.278 -4.380 7.478 1.00 0.00 H new ATOM 0 HA LEU A 22 -13.350 -3.042 9.739 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -16.066 -4.003 8.839 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -15.868 -3.178 10.373 1.00 0.00 H new ATOM 0 HG LEU A 22 -15.103 -2.036 7.668 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -17.043 -0.552 7.991 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -17.526 -2.263 7.912 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -17.459 -1.429 9.482 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -14.843 0.083 8.904 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -15.176 -0.771 10.429 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.716 -1.164 9.490 1.00 0.00 H new ATOM 362 N ASP A 23 -14.223 -6.145 10.269 1.00 0.00 N ATOM 363 CA ASP A 23 -14.197 -7.233 11.237 1.00 0.00 C ATOM 364 C ASP A 23 -12.759 -7.571 11.615 1.00 0.00 C ATOM 365 O ASP A 23 -12.466 -7.875 12.770 1.00 0.00 O ATOM 366 CB ASP A 23 -14.892 -8.469 10.669 1.00 0.00 C ATOM 367 CG ASP A 23 -16.334 -8.202 10.286 1.00 0.00 C ATOM 368 OD1 ASP A 23 -16.566 -7.340 9.412 1.00 0.00 O ATOM 369 OD2 ASP A 23 -17.231 -8.856 10.858 1.00 0.00 O ATOM 0 H ASP A 23 -14.439 -6.436 9.316 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.730 -6.911 12.131 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -14.346 -8.818 9.793 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.858 -9.271 11.406 1.00 0.00 H new ATOM 374 N HIS A 24 -11.869 -7.516 10.626 1.00 0.00 N ATOM 375 CA HIS A 24 -10.465 -7.806 10.825 1.00 0.00 C ATOM 376 C HIS A 24 -9.634 -6.519 10.785 1.00 0.00 C ATOM 377 O HIS A 24 -9.007 -6.210 9.772 1.00 0.00 O ATOM 378 CB HIS A 24 -9.996 -8.765 9.738 1.00 0.00 C ATOM 379 CG HIS A 24 -10.719 -10.074 9.732 1.00 0.00 C ATOM 380 ND1 HIS A 24 -10.715 -10.943 10.803 1.00 0.00 N ATOM 381 CD2 HIS A 24 -11.473 -10.664 8.775 1.00 0.00 C ATOM 382 CE1 HIS A 24 -11.433 -12.010 10.504 1.00 0.00 C ATOM 383 NE2 HIS A 24 -11.905 -11.865 9.280 1.00 0.00 N ATOM 0 H HIS A 24 -12.109 -7.268 9.666 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.331 -8.265 11.805 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -10.122 -8.287 8.766 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -8.930 -8.951 9.866 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.694 -10.264 7.796 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -11.605 -12.857 11.151 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -12.495 -12.537 8.789 1.00 0.00 H new ATOM 392 N PRO A 25 -9.620 -5.742 11.887 1.00 0.00 N ATOM 393 CA PRO A 25 -8.863 -4.484 11.964 1.00 0.00 C ATOM 394 C PRO A 25 -7.370 -4.683 11.727 1.00 0.00 C ATOM 395 O PRO A 25 -6.706 -3.827 11.141 1.00 0.00 O ATOM 396 CB PRO A 25 -9.117 -3.993 13.390 1.00 0.00 C ATOM 397 CG PRO A 25 -9.572 -5.198 14.139 1.00 0.00 C ATOM 398 CD PRO A 25 -10.332 -6.021 13.142 1.00 0.00 C ATOM 0 HA PRO A 25 -9.179 -3.779 11.196 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.212 -3.574 13.830 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.873 -3.208 13.408 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.725 -5.753 14.543 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.203 -4.921 14.983 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.312 -7.082 13.392 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.380 -5.726 13.088 1.00 0.00 H new ATOM 406 N GLU A 26 -6.849 -5.815 12.188 1.00 0.00 N ATOM 407 CA GLU A 26 -5.433 -6.134 12.030 1.00 0.00 C ATOM 408 C GLU A 26 -5.001 -6.019 10.570 1.00 0.00 C ATOM 409 O GLU A 26 -3.843 -5.720 10.277 1.00 0.00 O ATOM 410 CB GLU A 26 -5.149 -7.544 12.550 1.00 0.00 C ATOM 411 CG GLU A 26 -5.971 -8.623 11.863 1.00 0.00 C ATOM 412 CD GLU A 26 -5.688 -10.011 12.406 1.00 0.00 C ATOM 413 OE1 GLU A 26 -4.848 -10.133 13.323 1.00 0.00 O ATOM 414 OE2 GLU A 26 -6.307 -10.978 11.912 1.00 0.00 O ATOM 0 H GLU A 26 -7.388 -6.530 12.676 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.858 -5.414 12.612 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.090 -7.765 12.416 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.348 -7.574 13.621 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.031 -8.399 11.985 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.763 -8.607 10.793 1.00 0.00 H new ATOM 421 N ILE A 27 -5.936 -6.269 9.660 1.00 0.00 N ATOM 422 CA ILE A 27 -5.655 -6.203 8.229 1.00 0.00 C ATOM 423 C ILE A 27 -5.288 -4.788 7.800 1.00 0.00 C ATOM 424 O ILE A 27 -4.291 -4.579 7.108 1.00 0.00 O ATOM 425 CB ILE A 27 -6.874 -6.655 7.404 1.00 0.00 C ATOM 426 CG1 ILE A 27 -7.437 -7.968 7.951 1.00 0.00 C ATOM 427 CG2 ILE A 27 -6.498 -6.797 5.935 1.00 0.00 C ATOM 428 CD1 ILE A 27 -6.544 -9.169 7.745 1.00 0.00 C ATOM 0 H ILE A 27 -6.898 -6.520 9.888 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.814 -6.871 8.045 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.650 -5.894 7.486 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.626 -7.851 9.018 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.399 -8.161 7.477 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.370 -7.117 5.365 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.148 -5.837 5.555 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.706 -7.538 5.832 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.023 -10.054 8.164 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.375 -9.318 6.679 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.589 -9.002 8.244 1.00 0.00 H new ATOM 440 N TYR A 28 -6.108 -3.822 8.206 1.00 0.00 N ATOM 441 CA TYR A 28 -5.881 -2.424 7.857 1.00 0.00 C ATOM 442 C TYR A 28 -4.490 -1.975 8.292 1.00 0.00 C ATOM 443 O TYR A 28 -3.732 -1.414 7.502 1.00 0.00 O ATOM 444 CB TYR A 28 -6.944 -1.544 8.512 1.00 0.00 C ATOM 445 CG TYR A 28 -6.906 -0.099 8.078 1.00 0.00 C ATOM 446 CD1 TYR A 28 -7.139 0.250 6.756 1.00 0.00 C ATOM 447 CD2 TYR A 28 -6.639 0.915 8.988 1.00 0.00 C ATOM 448 CE1 TYR A 28 -7.107 1.571 6.349 1.00 0.00 C ATOM 449 CE2 TYR A 28 -6.606 2.238 8.591 1.00 0.00 C ATOM 450 CZ TYR A 28 -6.840 2.561 7.270 1.00 0.00 C ATOM 451 OH TYR A 28 -6.806 3.878 6.871 1.00 0.00 O ATOM 0 H TYR A 28 -6.937 -3.983 8.778 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.950 -2.324 6.774 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.928 -1.954 8.286 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.821 -1.590 9.594 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -7.349 -0.523 6.032 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.454 0.666 10.022 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.290 1.826 5.316 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.398 3.016 9.311 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.606 4.448 7.642 1.00 0.00 H new ATOM 461 N ARG A 29 -4.162 -2.232 9.554 1.00 0.00 N ATOM 462 CA ARG A 29 -2.868 -1.864 10.106 1.00 0.00 C ATOM 463 C ARG A 29 -1.724 -2.488 9.312 1.00 0.00 C ATOM 464 O ARG A 29 -0.789 -1.798 8.908 1.00 0.00 O ATOM 465 CB ARG A 29 -2.795 -2.313 11.563 1.00 0.00 C ATOM 466 CG ARG A 29 -3.603 -1.450 12.524 1.00 0.00 C ATOM 467 CD ARG A 29 -5.064 -1.332 12.112 1.00 0.00 C ATOM 468 NE ARG A 29 -5.828 -0.485 13.027 1.00 0.00 N ATOM 469 CZ ARG A 29 -5.587 0.811 13.214 1.00 0.00 C ATOM 470 NH1 ARG A 29 -4.618 1.415 12.539 1.00 0.00 N ATOM 471 NH2 ARG A 29 -6.320 1.504 14.073 1.00 0.00 N ATOM 0 H ARG A 29 -4.782 -2.698 10.217 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.763 -0.781 10.044 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.148 -3.342 11.632 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.752 -2.311 11.880 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.544 -1.875 13.526 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.161 -0.455 12.573 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.124 -0.922 11.104 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.512 -2.325 12.079 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.590 -0.912 13.553 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.054 0.886 11.873 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.437 2.408 12.685 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.069 1.045 14.591 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.135 2.497 14.216 1.00 0.00 H new ATOM 485 N SER A 30 -1.806 -3.798 9.100 1.00 0.00 N ATOM 486 CA SER A 30 -0.778 -4.526 8.359 1.00 0.00 C ATOM 487 C SER A 30 -0.500 -3.873 7.006 1.00 0.00 C ATOM 488 O SER A 30 0.646 -3.558 6.687 1.00 0.00 O ATOM 489 CB SER A 30 -1.206 -5.981 8.159 1.00 0.00 C ATOM 490 OG SER A 30 -0.230 -6.707 7.431 1.00 0.00 O ATOM 0 H SER A 30 -2.576 -4.380 9.431 1.00 0.00 H new ATOM 0 HA SER A 30 0.142 -4.497 8.943 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.365 -6.453 9.129 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.158 -6.013 7.629 1.00 0.00 H new ATOM 0 HG SER A 30 -0.528 -7.634 7.319 1.00 0.00 H new ATOM 496 N PHE A 31 -1.555 -3.672 6.220 1.00 0.00 N ATOM 497 CA PHE A 31 -1.433 -3.052 4.903 1.00 0.00 C ATOM 498 C PHE A 31 -0.641 -1.749 4.976 1.00 0.00 C ATOM 499 O PHE A 31 0.299 -1.536 4.207 1.00 0.00 O ATOM 500 CB PHE A 31 -2.824 -2.776 4.330 1.00 0.00 C ATOM 501 CG PHE A 31 -2.811 -1.942 3.078 1.00 0.00 C ATOM 502 CD1 PHE A 31 -2.176 -2.393 1.932 1.00 0.00 C ATOM 503 CD2 PHE A 31 -3.438 -0.706 3.051 1.00 0.00 C ATOM 504 CE1 PHE A 31 -2.165 -1.625 0.782 1.00 0.00 C ATOM 505 CE2 PHE A 31 -3.430 0.066 1.905 1.00 0.00 C ATOM 506 CZ PHE A 31 -2.792 -0.394 0.769 1.00 0.00 C ATOM 0 H PHE A 31 -2.508 -3.931 6.474 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.896 -3.742 4.252 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.314 -3.726 4.117 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.424 -2.270 5.086 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.684 -3.355 1.937 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.939 -0.342 3.936 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.667 -1.987 -0.105 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.922 1.028 1.897 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.783 0.208 -0.128 1.00 0.00 H new ATOM 516 N LEU A 32 -1.032 -0.881 5.901 1.00 0.00 N ATOM 517 CA LEU A 32 -0.365 0.402 6.070 1.00 0.00 C ATOM 518 C LEU A 32 1.106 0.201 6.408 1.00 0.00 C ATOM 519 O LEU A 32 1.971 0.911 5.901 1.00 0.00 O ATOM 520 CB LEU A 32 -1.059 1.220 7.160 1.00 0.00 C ATOM 521 CG LEU A 32 -2.574 1.346 7.002 1.00 0.00 C ATOM 522 CD1 LEU A 32 -3.144 2.297 8.040 1.00 0.00 C ATOM 523 CD2 LEU A 32 -2.929 1.809 5.599 1.00 0.00 C ATOM 0 H LEU A 32 -1.807 -1.043 6.544 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.427 0.951 5.130 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.846 0.765 8.127 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.625 2.220 7.176 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.017 0.363 7.160 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.224 2.373 7.910 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.924 1.920 9.039 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.694 3.282 7.917 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.012 1.893 5.507 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.473 2.781 5.410 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.558 1.086 4.872 1.00 0.00 H new ATOM 535 N GLU A 33 1.381 -0.784 7.257 1.00 0.00 N ATOM 536 CA GLU A 33 2.751 -1.095 7.648 1.00 0.00 C ATOM 537 C GLU A 33 3.543 -1.582 6.444 1.00 0.00 C ATOM 538 O GLU A 33 4.742 -1.334 6.343 1.00 0.00 O ATOM 539 CB GLU A 33 2.765 -2.155 8.753 1.00 0.00 C ATOM 540 CG GLU A 33 2.088 -1.709 10.041 1.00 0.00 C ATOM 541 CD GLU A 33 2.797 -0.545 10.711 1.00 0.00 C ATOM 542 OE1 GLU A 33 3.849 -0.109 10.197 1.00 0.00 O ATOM 543 OE2 GLU A 33 2.301 -0.072 11.755 1.00 0.00 O ATOM 0 H GLU A 33 0.674 -1.380 7.687 1.00 0.00 H new ATOM 0 HA GLU A 33 3.216 -0.187 8.032 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.271 -3.055 8.387 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.798 -2.425 8.971 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.058 -1.424 9.824 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.047 -2.550 10.734 1.00 0.00 H new ATOM 550 N ILE A 34 2.866 -2.268 5.526 1.00 0.00 N ATOM 551 CA ILE A 34 3.513 -2.773 4.325 1.00 0.00 C ATOM 552 C ILE A 34 4.067 -1.622 3.498 1.00 0.00 C ATOM 553 O ILE A 34 5.255 -1.590 3.176 1.00 0.00 O ATOM 554 CB ILE A 34 2.537 -3.587 3.467 1.00 0.00 C ATOM 555 CG1 ILE A 34 2.059 -4.804 4.254 1.00 0.00 C ATOM 556 CG2 ILE A 34 3.201 -4.006 2.161 1.00 0.00 C ATOM 557 CD1 ILE A 34 1.053 -5.641 3.512 1.00 0.00 C ATOM 0 H ILE A 34 1.872 -2.485 5.594 1.00 0.00 H new ATOM 0 HA ILE A 34 4.328 -3.424 4.640 1.00 0.00 H new ATOM 0 HB ILE A 34 1.673 -2.971 3.219 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.919 -5.424 4.507 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.619 -4.469 5.194 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.496 -4.583 1.563 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.506 -3.118 1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.077 -4.617 2.378 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.758 -6.488 4.131 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.176 -5.036 3.282 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.496 -6.006 2.585 1.00 0.00 H new ATOM 569 N LEU A 35 3.200 -0.666 3.179 1.00 0.00 N ATOM 570 CA LEU A 35 3.603 0.506 2.413 1.00 0.00 C ATOM 571 C LEU A 35 4.651 1.285 3.196 1.00 0.00 C ATOM 572 O LEU A 35 5.649 1.747 2.644 1.00 0.00 O ATOM 573 CB LEU A 35 2.391 1.398 2.128 1.00 0.00 C ATOM 574 CG LEU A 35 1.283 0.750 1.291 1.00 0.00 C ATOM 575 CD1 LEU A 35 0.042 1.629 1.281 1.00 0.00 C ATOM 576 CD2 LEU A 35 1.762 0.497 -0.131 1.00 0.00 C ATOM 0 H LEU A 35 2.214 -0.681 3.440 1.00 0.00 H new ATOM 0 HA LEU A 35 4.026 0.183 1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.965 1.719 3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.734 2.296 1.614 1.00 0.00 H new ATOM 0 HG LEU A 35 1.028 -0.208 1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.735 1.154 0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.317 1.763 2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.288 2.601 0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.960 0.037 -0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.045 1.443 -0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.624 -0.170 -0.111 1.00 0.00 H new ATOM 588 N HIS A 36 4.410 1.409 4.497 1.00 0.00 N ATOM 589 CA HIS A 36 5.313 2.113 5.396 1.00 0.00 C ATOM 590 C HIS A 36 6.717 1.517 5.335 1.00 0.00 C ATOM 591 O HIS A 36 7.707 2.244 5.234 1.00 0.00 O ATOM 592 CB HIS A 36 4.766 2.041 6.825 1.00 0.00 C ATOM 593 CG HIS A 36 4.308 3.361 7.359 1.00 0.00 C ATOM 594 ND1 HIS A 36 5.118 4.475 7.413 1.00 0.00 N ATOM 595 CD2 HIS A 36 3.112 3.742 7.865 1.00 0.00 C ATOM 596 CE1 HIS A 36 4.439 5.485 7.927 1.00 0.00 C ATOM 597 NE2 HIS A 36 3.219 5.067 8.210 1.00 0.00 N ATOM 0 H HIS A 36 3.584 1.024 4.956 1.00 0.00 H new ATOM 0 HA HIS A 36 5.378 3.155 5.084 1.00 0.00 H new ATOM 0 HB2 HIS A 36 3.932 1.339 6.851 1.00 0.00 H new ATOM 0 HB3 HIS A 36 5.539 1.642 7.481 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.236 3.120 7.977 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.818 6.483 8.088 1.00 0.00 H new ATOM 0 HE2 HIS A 36 2.477 5.635 8.618 1.00 0.00 H new ATOM 606 N THR A 37 6.786 0.189 5.386 1.00 0.00 N ATOM 607 CA THR A 37 8.056 -0.530 5.335 1.00 0.00 C ATOM 608 C THR A 37 8.925 -0.022 4.190 1.00 0.00 C ATOM 609 O THR A 37 10.150 0.036 4.306 1.00 0.00 O ATOM 610 CB THR A 37 7.830 -2.046 5.170 1.00 0.00 C ATOM 611 OG1 THR A 37 7.076 -2.553 6.277 1.00 0.00 O ATOM 612 CG2 THR A 37 9.153 -2.790 5.074 1.00 0.00 C ATOM 0 H THR A 37 5.968 -0.416 5.463 1.00 0.00 H new ATOM 0 HA THR A 37 8.568 -0.349 6.280 1.00 0.00 H new ATOM 0 HB THR A 37 7.275 -2.205 4.245 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.120 -2.405 6.117 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.963 -3.857 4.958 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.714 -2.426 4.213 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.732 -2.621 5.982 1.00 0.00 H new ATOM 939 N GLU A 57 8.397 -5.860 -3.435 1.00 0.00 N ATOM 940 CA GLU A 57 8.068 -6.424 -2.127 1.00 0.00 C ATOM 941 C GLU A 57 6.706 -5.951 -1.627 1.00 0.00 C ATOM 942 O GLU A 57 5.916 -6.747 -1.118 1.00 0.00 O ATOM 943 CB GLU A 57 9.153 -6.072 -1.107 1.00 0.00 C ATOM 944 CG GLU A 57 8.828 -6.532 0.306 1.00 0.00 C ATOM 945 CD GLU A 57 10.009 -6.403 1.249 1.00 0.00 C ATOM 946 OE1 GLU A 57 11.066 -7.003 0.963 1.00 0.00 O ATOM 947 OE2 GLU A 57 9.875 -5.708 2.277 1.00 0.00 O ATOM 0 HA GLU A 57 8.019 -7.507 -2.243 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.095 -6.523 -1.420 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.302 -4.992 -1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.994 -5.946 0.692 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.501 -7.572 0.279 1.00 0.00 H new ATOM 954 N VAL A 58 6.439 -4.657 -1.762 1.00 0.00 N ATOM 955 CA VAL A 58 5.174 -4.088 -1.308 1.00 0.00 C ATOM 956 C VAL A 58 3.987 -4.847 -1.893 1.00 0.00 C ATOM 957 O VAL A 58 3.038 -5.172 -1.181 1.00 0.00 O ATOM 958 CB VAL A 58 5.060 -2.597 -1.683 1.00 0.00 C ATOM 959 CG1 VAL A 58 3.716 -2.035 -1.252 1.00 0.00 C ATOM 960 CG2 VAL A 58 6.198 -1.802 -1.058 1.00 0.00 C ATOM 0 H VAL A 58 7.079 -3.983 -2.181 1.00 0.00 H new ATOM 0 HA VAL A 58 5.157 -4.180 -0.222 1.00 0.00 H new ATOM 0 HB VAL A 58 5.133 -2.510 -2.767 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.657 -0.982 -1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.916 -2.584 -1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.609 -2.135 -0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.102 -0.752 -1.333 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.156 -1.898 0.027 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.152 -2.186 -1.420 1.00 0.00 H new ATOM 970 N PHE A 59 4.050 -5.139 -3.186 1.00 0.00 N ATOM 971 CA PHE A 59 2.981 -5.873 -3.855 1.00 0.00 C ATOM 972 C PHE A 59 2.822 -7.264 -3.250 1.00 0.00 C ATOM 973 O PHE A 59 1.717 -7.799 -3.178 1.00 0.00 O ATOM 974 CB PHE A 59 3.265 -5.984 -5.356 1.00 0.00 C ATOM 975 CG PHE A 59 2.227 -6.762 -6.118 1.00 0.00 C ATOM 976 CD1 PHE A 59 0.874 -6.544 -5.903 1.00 0.00 C ATOM 977 CD2 PHE A 59 2.608 -7.712 -7.053 1.00 0.00 C ATOM 978 CE1 PHE A 59 -0.077 -7.260 -6.605 1.00 0.00 C ATOM 979 CE2 PHE A 59 1.661 -8.429 -7.757 1.00 0.00 C ATOM 980 CZ PHE A 59 0.317 -8.203 -7.533 1.00 0.00 C ATOM 0 H PHE A 59 4.828 -4.880 -3.792 1.00 0.00 H new ATOM 0 HA PHE A 59 2.051 -5.323 -3.712 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.335 -4.981 -5.777 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.236 -6.458 -5.498 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.560 -5.807 -5.179 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.657 -7.893 -7.233 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.127 -7.082 -6.428 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.971 -9.166 -8.483 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.425 -8.763 -8.083 1.00 0.00 H new ATOM 990 N THR A 60 3.939 -7.847 -2.829 1.00 0.00 N ATOM 991 CA THR A 60 3.938 -9.183 -2.243 1.00 0.00 C ATOM 992 C THR A 60 3.194 -9.226 -0.907 1.00 0.00 C ATOM 993 O THR A 60 2.258 -10.005 -0.737 1.00 0.00 O ATOM 994 CB THR A 60 5.379 -9.691 -2.036 1.00 0.00 C ATOM 995 OG1 THR A 60 6.067 -9.734 -3.291 1.00 0.00 O ATOM 996 CG2 THR A 60 5.390 -11.073 -1.401 1.00 0.00 C ATOM 0 H THR A 60 4.861 -7.413 -2.883 1.00 0.00 H new ATOM 0 HA THR A 60 3.416 -9.832 -2.947 1.00 0.00 H new ATOM 0 HB THR A 60 5.886 -9.000 -1.363 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.982 -10.056 -3.152 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.420 -11.404 -1.268 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.894 -11.032 -0.431 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.864 -11.775 -2.048 1.00 0.00 H new ATOM 1004 N GLU A 61 3.623 -8.395 0.038 1.00 0.00 N ATOM 1005 CA GLU A 61 3.010 -8.346 1.361 1.00 0.00 C ATOM 1006 C GLU A 61 1.523 -8.012 1.280 1.00 0.00 C ATOM 1007 O GLU A 61 0.702 -8.643 1.948 1.00 0.00 O ATOM 1008 CB GLU A 61 3.730 -7.323 2.242 1.00 0.00 C ATOM 1009 CG GLU A 61 5.192 -7.656 2.500 1.00 0.00 C ATOM 1010 CD GLU A 61 5.376 -8.927 3.311 1.00 0.00 C ATOM 1011 OE1 GLU A 61 4.359 -9.529 3.717 1.00 0.00 O ATOM 1012 OE2 GLU A 61 6.539 -9.315 3.547 1.00 0.00 O ATOM 0 H GLU A 61 4.397 -7.743 -0.089 1.00 0.00 H new ATOM 0 HA GLU A 61 3.107 -9.336 1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.668 -6.343 1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.210 -7.250 3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.709 -7.762 1.546 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.661 -6.825 3.026 1.00 0.00 H new ATOM 1019 N VAL A 62 1.174 -7.020 0.463 1.00 0.00 N ATOM 1020 CA VAL A 62 -0.221 -6.621 0.312 1.00 0.00 C ATOM 1021 C VAL A 62 -1.036 -7.757 -0.296 1.00 0.00 C ATOM 1022 O VAL A 62 -2.149 -8.038 0.145 1.00 0.00 O ATOM 1023 CB VAL A 62 -0.366 -5.366 -0.571 1.00 0.00 C ATOM 1024 CG1 VAL A 62 -1.833 -4.996 -0.741 1.00 0.00 C ATOM 1025 CG2 VAL A 62 0.414 -4.203 0.022 1.00 0.00 C ATOM 0 H VAL A 62 1.833 -6.482 -0.100 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.597 -6.387 1.308 1.00 0.00 H new ATOM 0 HB VAL A 62 0.046 -5.590 -1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.914 -4.108 -1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.364 -5.822 -1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.272 -4.793 0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.300 -3.326 -0.615 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.033 -3.980 1.019 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.469 -4.469 0.088 1.00 0.00 H new ATOM 1035 N ALA A 63 -0.468 -8.416 -1.302 1.00 0.00 N ATOM 1036 CA ALA A 63 -1.138 -9.533 -1.956 1.00 0.00 C ATOM 1037 C ALA A 63 -1.385 -10.656 -0.958 1.00 0.00 C ATOM 1038 O ALA A 63 -2.456 -11.263 -0.939 1.00 0.00 O ATOM 1039 CB ALA A 63 -0.316 -10.033 -3.134 1.00 0.00 C ATOM 0 H ALA A 63 0.453 -8.195 -1.681 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.100 -9.189 -2.335 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.832 -10.867 -3.610 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.187 -9.227 -3.856 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.661 -10.364 -2.782 1.00 0.00 H new ATOM 1045 N ASN A 64 -0.387 -10.911 -0.115 1.00 0.00 N ATOM 1046 CA ASN A 64 -0.493 -11.944 0.907 1.00 0.00 C ATOM 1047 C ASN A 64 -1.673 -11.651 1.825 1.00 0.00 C ATOM 1048 O ASN A 64 -2.437 -12.547 2.182 1.00 0.00 O ATOM 1049 CB ASN A 64 0.807 -12.026 1.713 1.00 0.00 C ATOM 1050 CG ASN A 64 1.927 -12.697 0.941 1.00 0.00 C ATOM 1051 OD1 ASN A 64 1.784 -13.829 0.479 1.00 0.00 O ATOM 1052 ND2 ASN A 64 3.056 -12.008 0.807 1.00 0.00 N ATOM 0 H ASN A 64 0.504 -10.415 -0.121 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.660 -12.906 0.422 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.118 -11.021 1.998 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.625 -12.577 2.636 1.00 0.00 H new ATOM 0 HD21 ASN A 64 3.846 -12.415 0.306 1.00 0.00 H new ATOM 0 HD22 ASN A 64 3.133 -11.072 1.205 1.00 0.00 H new ATOM 1059 N LEU A 65 -1.826 -10.380 2.179 1.00 0.00 N ATOM 1060 CA LEU A 65 -2.922 -9.942 3.027 1.00 0.00 C ATOM 1061 C LEU A 65 -4.256 -10.180 2.340 1.00 0.00 C ATOM 1062 O LEU A 65 -5.118 -10.901 2.843 1.00 0.00 O ATOM 1063 CB LEU A 65 -2.778 -8.451 3.309 1.00 0.00 C ATOM 1064 CG LEU A 65 -2.243 -8.081 4.686 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -2.018 -6.583 4.753 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -3.216 -8.522 5.768 1.00 0.00 C ATOM 0 H LEU A 65 -1.198 -9.631 1.888 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.890 -10.510 3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.117 -8.021 2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.753 -7.981 3.182 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.295 -8.593 4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.635 -6.316 5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.296 -6.289 3.991 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.961 -6.065 4.578 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.820 -8.251 6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.176 -8.030 5.616 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.350 -9.603 5.718 1.00 0.00 H new ATOM 1078 N PHE A 66 -4.406 -9.542 1.188 1.00 0.00 N ATOM 1079 CA PHE A 66 -5.623 -9.636 0.388 1.00 0.00 C ATOM 1080 C PHE A 66 -5.744 -10.989 -0.311 1.00 0.00 C ATOM 1081 O PHE A 66 -6.182 -11.060 -1.460 1.00 0.00 O ATOM 1082 CB PHE A 66 -5.632 -8.524 -0.662 1.00 0.00 C ATOM 1083 CG PHE A 66 -5.704 -7.127 -0.103 1.00 0.00 C ATOM 1084 CD1 PHE A 66 -5.572 -6.880 1.260 1.00 0.00 C ATOM 1085 CD2 PHE A 66 -5.897 -6.055 -0.956 1.00 0.00 C ATOM 1086 CE1 PHE A 66 -5.636 -5.592 1.753 1.00 0.00 C ATOM 1087 CE2 PHE A 66 -5.963 -4.765 -0.467 1.00 0.00 C ATOM 1088 CZ PHE A 66 -5.832 -4.533 0.889 1.00 0.00 C ATOM 0 H PHE A 66 -3.688 -8.944 0.780 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.472 -9.529 1.063 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.732 -8.611 -1.270 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.482 -8.678 -1.327 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.418 -7.705 1.940 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.997 -6.229 -2.017 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.533 -5.413 2.813 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.117 -3.938 -1.144 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.883 -3.525 1.272 1.00 0.00 H new ATOM 1098 N ARG A 67 -5.364 -12.058 0.377 1.00 0.00 N ATOM 1099 CA ARG A 67 -5.448 -13.393 -0.199 1.00 0.00 C ATOM 1100 C ARG A 67 -6.896 -13.740 -0.529 1.00 0.00 C ATOM 1101 O ARG A 67 -7.786 -13.597 0.311 1.00 0.00 O ATOM 1102 CB ARG A 67 -4.850 -14.423 0.763 1.00 0.00 C ATOM 1103 CG ARG A 67 -4.942 -15.856 0.264 1.00 0.00 C ATOM 1104 CD ARG A 67 -4.269 -16.823 1.225 1.00 0.00 C ATOM 1105 NE ARG A 67 -4.847 -16.758 2.566 1.00 0.00 N ATOM 1106 CZ ARG A 67 -6.110 -17.073 2.845 1.00 0.00 C ATOM 1107 NH1 ARG A 67 -6.921 -17.500 1.887 1.00 0.00 N ATOM 1108 NH2 ARG A 67 -6.560 -16.965 4.088 1.00 0.00 N ATOM 0 H ARG A 67 -4.997 -12.027 1.328 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.873 -13.412 -1.125 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.803 -14.176 0.939 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.361 -14.349 1.723 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.989 -16.133 0.140 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.474 -15.932 -0.718 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.361 -17.839 0.840 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.204 -16.598 1.279 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.247 -16.453 3.333 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.578 -17.589 0.930 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.888 -17.740 2.107 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.939 -16.641 4.829 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.528 -17.206 4.303 1.00 0.00 H new ATOM 1122 N GLY A 68 -7.125 -14.183 -1.760 1.00 0.00 N ATOM 1123 CA GLY A 68 -8.467 -14.529 -2.190 1.00 0.00 C ATOM 1124 C GLY A 68 -9.273 -13.309 -2.599 1.00 0.00 C ATOM 1125 O GLY A 68 -9.992 -13.338 -3.598 1.00 0.00 O ATOM 0 H GLY A 68 -6.403 -14.309 -2.470 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.410 -15.222 -3.029 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.983 -15.048 -1.382 1.00 0.00 H new ATOM 1129 N GLN A 69 -9.151 -12.232 -1.824 1.00 0.00 N ATOM 1130 CA GLN A 69 -9.869 -10.995 -2.107 1.00 0.00 C ATOM 1131 C GLN A 69 -9.115 -10.146 -3.128 1.00 0.00 C ATOM 1132 O GLN A 69 -8.760 -8.998 -2.858 1.00 0.00 O ATOM 1133 CB GLN A 69 -10.086 -10.207 -0.815 1.00 0.00 C ATOM 1134 CG GLN A 69 -10.933 -10.948 0.205 1.00 0.00 C ATOM 1135 CD GLN A 69 -11.117 -10.169 1.491 1.00 0.00 C ATOM 1136 OE1 GLN A 69 -11.621 -9.046 1.484 1.00 0.00 O ATOM 1137 NE2 GLN A 69 -10.711 -10.765 2.606 1.00 0.00 N ATOM 0 H GLN A 69 -8.560 -12.194 -0.994 1.00 0.00 H new ATOM 0 HA GLN A 69 -10.839 -11.251 -2.533 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -9.117 -9.974 -0.372 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.564 -9.257 -1.053 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -11.910 -11.162 -0.228 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -10.467 -11.907 0.430 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -10.299 -11.697 2.565 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.812 -10.291 3.503 1.00 0.00 H new ATOM 1146 N GLU A 70 -8.869 -10.724 -4.300 1.00 0.00 N ATOM 1147 CA GLU A 70 -8.151 -10.034 -5.368 1.00 0.00 C ATOM 1148 C GLU A 70 -8.918 -8.809 -5.868 1.00 0.00 C ATOM 1149 O GLU A 70 -8.432 -8.077 -6.730 1.00 0.00 O ATOM 1150 CB GLU A 70 -7.899 -10.993 -6.530 1.00 0.00 C ATOM 1151 CG GLU A 70 -7.066 -12.197 -6.135 1.00 0.00 C ATOM 1152 CD GLU A 70 -6.960 -13.227 -7.243 1.00 0.00 C ATOM 1153 OE1 GLU A 70 -6.427 -12.888 -8.320 1.00 0.00 O ATOM 1154 OE2 GLU A 70 -7.410 -14.374 -7.033 1.00 0.00 O ATOM 0 H GLU A 70 -9.158 -11.674 -4.535 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.201 -9.691 -4.959 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.855 -11.334 -6.926 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.394 -10.457 -7.333 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.066 -11.865 -5.856 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.505 -12.663 -5.253 1.00 0.00 H new ATOM 1161 N ASP A 71 -10.116 -8.592 -5.331 1.00 0.00 N ATOM 1162 CA ASP A 71 -10.937 -7.454 -5.738 1.00 0.00 C ATOM 1163 C ASP A 71 -10.227 -6.140 -5.430 1.00 0.00 C ATOM 1164 O ASP A 71 -10.022 -5.309 -6.315 1.00 0.00 O ATOM 1165 CB ASP A 71 -12.288 -7.497 -5.035 1.00 0.00 C ATOM 1166 CG ASP A 71 -13.177 -6.326 -5.407 1.00 0.00 C ATOM 1167 OD1 ASP A 71 -13.498 -6.181 -6.606 1.00 0.00 O ATOM 1168 OD2 ASP A 71 -13.554 -5.554 -4.501 1.00 0.00 O ATOM 0 H ASP A 71 -10.538 -9.185 -4.617 1.00 0.00 H new ATOM 0 HA ASP A 71 -11.098 -7.516 -6.814 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.795 -8.428 -5.288 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.132 -7.502 -3.956 1.00 0.00 H new ATOM 1173 N LEU A 72 -9.840 -5.970 -4.172 1.00 0.00 N ATOM 1174 CA LEU A 72 -9.133 -4.772 -3.739 1.00 0.00 C ATOM 1175 C LEU A 72 -7.740 -4.743 -4.349 1.00 0.00 C ATOM 1176 O LEU A 72 -7.265 -3.708 -4.822 1.00 0.00 O ATOM 1177 CB LEU A 72 -9.036 -4.755 -2.214 1.00 0.00 C ATOM 1178 CG LEU A 72 -10.378 -4.812 -1.488 1.00 0.00 C ATOM 1179 CD1 LEU A 72 -10.171 -5.069 -0.004 1.00 0.00 C ATOM 1180 CD2 LEU A 72 -11.150 -3.520 -1.708 1.00 0.00 C ATOM 0 H LEU A 72 -10.005 -6.651 -3.430 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.682 -3.891 -4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.429 -5.601 -1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.511 -3.851 -1.907 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.961 -5.637 -1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.138 -5.106 0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.655 -6.019 0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.571 -4.266 0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.105 -3.573 -1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.572 -2.680 -1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.327 -3.379 -2.774 1.00 0.00 H new ATOM 1192 N LEU A 73 -7.100 -5.904 -4.334 1.00 0.00 N ATOM 1193 CA LEU A 73 -5.770 -6.071 -4.875 1.00 0.00 C ATOM 1194 C LEU A 73 -5.685 -5.543 -6.301 1.00 0.00 C ATOM 1195 O LEU A 73 -4.684 -4.945 -6.693 1.00 0.00 O ATOM 1196 CB LEU A 73 -5.418 -7.544 -4.835 1.00 0.00 C ATOM 1197 CG LEU A 73 -3.959 -7.891 -5.091 1.00 0.00 C ATOM 1198 CD1 LEU A 73 -3.023 -6.779 -4.626 1.00 0.00 C ATOM 1199 CD2 LEU A 73 -3.650 -9.162 -4.351 1.00 0.00 C ATOM 0 H LEU A 73 -7.497 -6.758 -3.942 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.062 -5.500 -4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.698 -7.937 -3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.029 -8.063 -5.574 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.804 -8.014 -6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.990 -7.065 -4.826 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.255 -5.859 -5.163 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.154 -6.617 -3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.608 -9.435 -4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.821 -9.013 -3.285 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.297 -9.961 -4.714 1.00 0.00 H new ATOM 1211 N SER A 74 -6.748 -5.763 -7.070 1.00 0.00 N ATOM 1212 CA SER A 74 -6.801 -5.304 -8.452 1.00 0.00 C ATOM 1213 C SER A 74 -6.553 -3.803 -8.517 1.00 0.00 C ATOM 1214 O SER A 74 -5.811 -3.322 -9.376 1.00 0.00 O ATOM 1215 CB SER A 74 -8.158 -5.640 -9.073 1.00 0.00 C ATOM 1216 OG SER A 74 -8.214 -5.234 -10.430 1.00 0.00 O ATOM 0 H SER A 74 -7.584 -6.257 -6.758 1.00 0.00 H new ATOM 0 HA SER A 74 -6.022 -5.815 -9.018 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.337 -6.713 -9.004 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.951 -5.147 -8.510 1.00 0.00 H new ATOM 0 HG SER A 74 -9.091 -5.462 -10.804 1.00 0.00 H new ATOM 1222 N GLU A 75 -7.169 -3.071 -7.595 1.00 0.00 N ATOM 1223 CA GLU A 75 -7.010 -1.625 -7.533 1.00 0.00 C ATOM 1224 C GLU A 75 -5.561 -1.265 -7.219 1.00 0.00 C ATOM 1225 O GLU A 75 -4.977 -0.385 -7.852 1.00 0.00 O ATOM 1226 CB GLU A 75 -7.942 -1.037 -6.474 1.00 0.00 C ATOM 1227 CG GLU A 75 -9.409 -1.352 -6.715 1.00 0.00 C ATOM 1228 CD GLU A 75 -10.317 -0.746 -5.661 1.00 0.00 C ATOM 1229 OE1 GLU A 75 -10.326 0.496 -5.530 1.00 0.00 O ATOM 1230 OE2 GLU A 75 -11.017 -1.514 -4.969 1.00 0.00 O ATOM 0 H GLU A 75 -7.784 -3.458 -6.879 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.271 -1.203 -8.503 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.653 -1.419 -5.495 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.811 0.045 -6.446 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.700 -0.980 -7.697 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.547 -2.433 -6.730 1.00 0.00 H new ATOM 1237 N PHE A 76 -4.986 -1.961 -6.242 1.00 0.00 N ATOM 1238 CA PHE A 76 -3.599 -1.729 -5.846 1.00 0.00 C ATOM 1239 C PHE A 76 -2.665 -1.919 -7.035 1.00 0.00 C ATOM 1240 O PHE A 76 -1.755 -1.121 -7.262 1.00 0.00 O ATOM 1241 CB PHE A 76 -3.208 -2.688 -4.718 1.00 0.00 C ATOM 1242 CG PHE A 76 -1.798 -2.516 -4.220 1.00 0.00 C ATOM 1243 CD1 PHE A 76 -1.269 -1.254 -3.995 1.00 0.00 C ATOM 1244 CD2 PHE A 76 -1.004 -3.625 -3.966 1.00 0.00 C ATOM 1245 CE1 PHE A 76 0.022 -1.101 -3.527 1.00 0.00 C ATOM 1246 CE2 PHE A 76 0.289 -3.478 -3.501 1.00 0.00 C ATOM 1247 CZ PHE A 76 0.802 -2.214 -3.279 1.00 0.00 C ATOM 0 H PHE A 76 -5.459 -2.691 -5.709 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.507 -0.703 -5.491 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.895 -2.548 -3.884 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.335 -3.713 -5.068 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.874 -0.380 -4.188 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.401 -4.615 -4.134 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.421 -0.112 -3.355 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.898 -4.350 -3.311 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.811 -2.097 -2.912 1.00 0.00 H new ATOM 1257 N GLY A 77 -2.904 -2.987 -7.788 1.00 0.00 N ATOM 1258 CA GLY A 77 -2.089 -3.286 -8.950 1.00 0.00 C ATOM 1259 C GLY A 77 -2.147 -2.196 -10.005 1.00 0.00 C ATOM 1260 O GLY A 77 -1.192 -2.007 -10.756 1.00 0.00 O ATOM 0 H GLY A 77 -3.654 -3.656 -7.612 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.055 -3.427 -8.636 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.420 -4.227 -9.388 1.00 0.00 H new ATOM 1423 N ILE B 2 2.612 4.216 -4.415 1.00 0.00 N ATOM 1424 CA ILE B 2 2.803 3.699 -3.064 1.00 0.00 C ATOM 1425 C ILE B 2 2.781 4.821 -2.026 1.00 0.00 C ATOM 1426 O ILE B 2 2.125 4.701 -0.992 1.00 0.00 O ATOM 1427 CB ILE B 2 4.114 2.909 -2.943 1.00 0.00 C ATOM 1428 CG1 ILE B 2 4.091 1.686 -3.866 1.00 0.00 C ATOM 1429 CG2 ILE B 2 4.361 2.491 -1.498 1.00 0.00 C ATOM 1430 CD1 ILE B 2 2.953 0.727 -3.588 1.00 0.00 C ATOM 0 HA ILE B 2 1.970 3.024 -2.866 1.00 0.00 H new ATOM 0 HB ILE B 2 4.934 3.556 -3.253 1.00 0.00 H new ATOM 0 HG12 ILE B 2 4.023 2.025 -4.900 1.00 0.00 H new ATOM 0 HG13 ILE B 2 5.036 1.151 -3.767 1.00 0.00 H new ATOM 0 HG21 ILE B 2 5.295 1.933 -1.435 1.00 0.00 H new ATOM 0 HG22 ILE B 2 4.426 3.378 -0.869 1.00 0.00 H new ATOM 0 HG23 ILE B 2 3.539 1.863 -1.155 1.00 0.00 H new ATOM 0 HD11 ILE B 2 3.006 -0.112 -4.282 1.00 0.00 H new ATOM 0 HD12 ILE B 2 3.030 0.357 -2.566 1.00 0.00 H new ATOM 0 HD13 ILE B 2 2.002 1.244 -3.716 1.00 0.00 H new ATOM 1442 N GLN B 3 3.486 5.913 -2.307 1.00 0.00 N ATOM 1443 CA GLN B 3 3.525 7.049 -1.398 1.00 0.00 C ATOM 1444 C GLN B 3 2.144 7.679 -1.302 1.00 0.00 C ATOM 1445 O GLN B 3 1.747 8.181 -0.252 1.00 0.00 O ATOM 1446 CB GLN B 3 4.560 8.077 -1.871 1.00 0.00 C ATOM 1447 CG GLN B 3 4.304 8.621 -3.271 1.00 0.00 C ATOM 1448 CD GLN B 3 3.282 9.749 -3.305 1.00 0.00 C ATOM 1449 OE1 GLN B 3 2.867 10.186 -4.379 1.00 0.00 O ATOM 1450 NE2 GLN B 3 2.886 10.242 -2.135 1.00 0.00 N ATOM 0 H GLN B 3 4.037 6.033 -3.157 1.00 0.00 H new ATOM 0 HA GLN B 3 3.821 6.703 -0.408 1.00 0.00 H new ATOM 0 HB2 GLN B 3 4.577 8.909 -1.167 1.00 0.00 H new ATOM 0 HB3 GLN B 3 5.549 7.619 -1.846 1.00 0.00 H new ATOM 0 HG2 GLN B 3 5.244 8.980 -3.691 1.00 0.00 H new ATOM 0 HG3 GLN B 3 3.959 7.809 -3.911 1.00 0.00 H new ATOM 0 HE21 GLN B 3 3.253 9.852 -1.267 1.00 0.00 H new ATOM 0 HE22 GLN B 3 2.215 11.010 -2.106 1.00 0.00 H new ATOM 1459 N MET B 4 1.418 7.644 -2.416 1.00 0.00 N ATOM 1460 CA MET B 4 0.074 8.202 -2.479 1.00 0.00 C ATOM 1461 C MET B 4 -0.860 7.465 -1.522 1.00 0.00 C ATOM 1462 O MET B 4 -1.577 8.087 -0.739 1.00 0.00 O ATOM 1463 CB MET B 4 -0.462 8.116 -3.910 1.00 0.00 C ATOM 1464 CG MET B 4 -1.830 8.754 -4.091 1.00 0.00 C ATOM 1465 SD MET B 4 -2.449 8.606 -5.778 1.00 0.00 S ATOM 1466 CE MET B 4 -1.166 9.465 -6.687 1.00 0.00 C ATOM 0 H MET B 4 1.742 7.232 -3.291 1.00 0.00 H new ATOM 0 HA MET B 4 0.119 9.249 -2.178 1.00 0.00 H new ATOM 0 HB2 MET B 4 0.246 8.599 -4.583 1.00 0.00 H new ATOM 0 HB3 MET B 4 -0.518 7.068 -4.205 1.00 0.00 H new ATOM 0 HG2 MET B 4 -2.538 8.287 -3.406 1.00 0.00 H new ATOM 0 HG3 MET B 4 -1.773 9.808 -3.820 1.00 0.00 H new ATOM 0 HE1 MET B 4 -1.541 9.740 -7.673 1.00 0.00 H new ATOM 0 HE2 MET B 4 -0.876 10.365 -6.145 1.00 0.00 H new ATOM 0 HE3 MET B 4 -0.300 8.813 -6.797 1.00 0.00 H new ATOM 1476 N LEU B 5 -0.838 6.135 -1.588 1.00 0.00 N ATOM 1477 CA LEU B 5 -1.677 5.313 -0.722 1.00 0.00 C ATOM 1478 C LEU B 5 -1.205 5.408 0.724 1.00 0.00 C ATOM 1479 O LEU B 5 -2.006 5.589 1.641 1.00 0.00 O ATOM 1480 CB LEU B 5 -1.651 3.853 -1.182 1.00 0.00 C ATOM 1481 CG LEU B 5 -2.100 3.617 -2.625 1.00 0.00 C ATOM 1482 CD1 LEU B 5 -2.062 2.134 -2.957 1.00 0.00 C ATOM 1483 CD2 LEU B 5 -3.495 4.177 -2.852 1.00 0.00 C ATOM 0 H LEU B 5 -0.249 5.606 -2.231 1.00 0.00 H new ATOM 0 HA LEU B 5 -2.700 5.685 -0.784 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -0.637 3.470 -1.067 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.289 3.269 -0.519 1.00 0.00 H new ATOM 0 HG LEU B 5 -1.410 4.139 -3.288 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -2.384 1.983 -3.987 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -1.045 1.760 -2.837 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.729 1.594 -2.285 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -3.795 3.999 -3.885 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -4.198 3.686 -2.180 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -3.493 5.249 -2.655 1.00 0.00 H new ATOM 1495 N LEU B 6 0.105 5.292 0.912 1.00 0.00 N ATOM 1496 CA LEU B 6 0.705 5.371 2.237 1.00 0.00 C ATOM 1497 C LEU B 6 0.322 6.685 2.907 1.00 0.00 C ATOM 1498 O LEU B 6 0.030 6.726 4.103 1.00 0.00 O ATOM 1499 CB LEU B 6 2.228 5.246 2.127 1.00 0.00 C ATOM 1500 CG LEU B 6 2.994 5.292 3.452 1.00 0.00 C ATOM 1501 CD1 LEU B 6 2.492 4.216 4.404 1.00 0.00 C ATOM 1502 CD2 LEU B 6 4.486 5.127 3.202 1.00 0.00 C ATOM 0 H LEU B 6 0.775 5.142 0.157 1.00 0.00 H new ATOM 0 HA LEU B 6 0.331 4.550 2.849 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.462 4.307 1.625 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.595 6.049 1.488 1.00 0.00 H new ATOM 0 HG LEU B 6 2.821 6.263 3.916 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.051 4.268 5.339 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.432 4.374 4.605 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.633 3.235 3.951 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.020 5.161 4.152 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.670 4.168 2.717 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.838 5.933 2.558 1.00 0.00 H new ATOM 1514 N GLU B 7 0.311 7.754 2.118 1.00 0.00 N ATOM 1515 CA GLU B 7 -0.053 9.074 2.615 1.00 0.00 C ATOM 1516 C GLU B 7 -1.543 9.122 2.944 1.00 0.00 C ATOM 1517 O GLU B 7 -1.952 9.711 3.944 1.00 0.00 O ATOM 1518 CB GLU B 7 0.293 10.144 1.575 1.00 0.00 C ATOM 1519 CG GLU B 7 -0.043 11.558 2.021 1.00 0.00 C ATOM 1520 CD GLU B 7 0.319 12.600 0.983 1.00 0.00 C ATOM 1521 OE1 GLU B 7 1.514 12.701 0.634 1.00 0.00 O ATOM 1522 OE2 GLU B 7 -0.593 13.317 0.517 1.00 0.00 O ATOM 0 H GLU B 7 0.551 7.731 1.127 1.00 0.00 H new ATOM 0 HA GLU B 7 0.513 9.273 3.525 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.358 10.087 1.348 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -0.242 9.927 0.651 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -1.109 11.622 2.238 1.00 0.00 H new ATOM 0 HG3 GLU B 7 0.485 11.777 2.949 1.00 0.00 H new ATOM 1529 N ALA B 8 -2.343 8.488 2.090 1.00 0.00 N ATOM 1530 CA ALA B 8 -3.790 8.438 2.272 1.00 0.00 C ATOM 1531 C ALA B 8 -4.152 7.866 3.637 1.00 0.00 C ATOM 1532 O ALA B 8 -5.085 8.334 4.290 1.00 0.00 O ATOM 1533 CB ALA B 8 -4.421 7.604 1.168 1.00 0.00 C ATOM 0 H ALA B 8 -2.010 7.999 1.259 1.00 0.00 H new ATOM 0 HA ALA B 8 -4.178 9.455 2.220 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -5.501 7.571 1.310 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -4.196 8.051 0.200 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -4.019 6.591 1.202 1.00 0.00 H new ATOM 1539 N ALA B 9 -3.408 6.848 4.059 1.00 0.00 N ATOM 1540 CA ALA B 9 -3.646 6.202 5.344 1.00 0.00 C ATOM 1541 C ALA B 9 -3.594 7.207 6.489 1.00 0.00 C ATOM 1542 O ALA B 9 -4.462 7.213 7.361 1.00 0.00 O ATOM 1543 CB ALA B 9 -2.626 5.099 5.569 1.00 0.00 C ATOM 0 H ALA B 9 -2.633 6.452 3.527 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.646 5.769 5.324 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -2.812 4.622 6.531 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.711 4.358 4.774 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -1.623 5.525 5.563 1.00 0.00 H new ATOM 1549 N ASP B 10 -2.571 8.054 6.480 1.00 0.00 N ATOM 1550 CA ASP B 10 -2.401 9.065 7.517 1.00 0.00 C ATOM 1551 C ASP B 10 -3.595 10.015 7.544 1.00 0.00 C ATOM 1552 O ASP B 10 -4.050 10.428 8.611 1.00 0.00 O ATOM 1553 CB ASP B 10 -1.108 9.850 7.285 1.00 0.00 C ATOM 1554 CG ASP B 10 -0.826 10.853 8.386 1.00 0.00 C ATOM 1555 OD1 ASP B 10 -1.638 11.785 8.566 1.00 0.00 O ATOM 1556 OD2 ASP B 10 0.209 10.707 9.071 1.00 0.00 O ATOM 0 H ASP B 10 -1.845 8.060 5.764 1.00 0.00 H new ATOM 0 HA ASP B 10 -2.339 8.560 8.481 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.273 9.153 7.212 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -1.172 10.373 6.331 1.00 0.00 H new ATOM 1561 N TYR B 11 -4.091 10.359 6.360 1.00 0.00 N ATOM 1562 CA TYR B 11 -5.230 11.263 6.231 1.00 0.00 C ATOM 1563 C TYR B 11 -6.451 10.731 6.976 1.00 0.00 C ATOM 1564 O TYR B 11 -7.026 11.422 7.818 1.00 0.00 O ATOM 1565 CB TYR B 11 -5.570 11.456 4.754 1.00 0.00 C ATOM 1566 CG TYR B 11 -6.821 12.271 4.510 1.00 0.00 C ATOM 1567 CD1 TYR B 11 -6.925 13.581 4.963 1.00 0.00 C ATOM 1568 CD2 TYR B 11 -7.895 11.730 3.817 1.00 0.00 C ATOM 1569 CE1 TYR B 11 -8.066 14.326 4.734 1.00 0.00 C ATOM 1570 CE2 TYR B 11 -9.038 12.469 3.581 1.00 0.00 C ATOM 1571 CZ TYR B 11 -9.119 13.765 4.042 1.00 0.00 C ATOM 1572 OH TYR B 11 -10.257 14.505 3.808 1.00 0.00 O ATOM 0 H TYR B 11 -3.720 10.024 5.471 1.00 0.00 H new ATOM 0 HA TYR B 11 -4.954 12.220 6.675 1.00 0.00 H new ATOM 0 HB2 TYR B 11 -4.730 11.943 4.259 1.00 0.00 H new ATOM 0 HB3 TYR B 11 -5.690 10.478 4.289 1.00 0.00 H new ATOM 0 HD1 TYR B 11 -6.101 14.024 5.503 1.00 0.00 H new ATOM 0 HD2 TYR B 11 -7.836 10.714 3.456 1.00 0.00 H new ATOM 0 HE1 TYR B 11 -8.133 15.342 5.095 1.00 0.00 H new ATOM 0 HE2 TYR B 11 -9.864 12.033 3.038 1.00 0.00 H new ATOM 0 HH TYR B 11 -10.902 13.963 3.307 1.00 0.00 H new ATOM 1582 N LEU B 12 -6.847 9.503 6.658 1.00 0.00 N ATOM 1583 CA LEU B 12 -8.005 8.886 7.294 1.00 0.00 C ATOM 1584 C LEU B 12 -7.761 8.665 8.785 1.00 0.00 C ATOM 1585 O LEU B 12 -8.610 8.987 9.616 1.00 0.00 O ATOM 1586 CB LEU B 12 -8.337 7.553 6.620 1.00 0.00 C ATOM 1587 CG LEU B 12 -8.727 7.647 5.143 1.00 0.00 C ATOM 1588 CD1 LEU B 12 -8.976 6.260 4.573 1.00 0.00 C ATOM 1589 CD2 LEU B 12 -9.959 8.523 4.969 1.00 0.00 C ATOM 0 H LEU B 12 -6.384 8.916 5.964 1.00 0.00 H new ATOM 0 HA LEU B 12 -8.850 9.565 7.180 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -7.473 6.894 6.710 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -9.155 7.082 7.166 1.00 0.00 H new ATOM 0 HG LEU B 12 -7.902 8.104 4.597 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -9.252 6.343 3.522 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -8.070 5.661 4.664 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -9.785 5.780 5.124 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -10.220 8.577 3.912 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -10.792 8.095 5.527 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -9.749 9.525 5.343 1.00 0.00 H new ATOM 1601 N GLU B 13 -6.598 8.112 9.112 1.00 0.00 N ATOM 1602 CA GLU B 13 -6.237 7.840 10.499 1.00 0.00 C ATOM 1603 C GLU B 13 -6.182 9.130 11.312 1.00 0.00 C ATOM 1604 O GLU B 13 -6.590 9.102 12.493 1.00 0.00 O ATOM 1605 CB GLU B 13 -4.886 7.123 10.562 1.00 0.00 C ATOM 1606 CG GLU B 13 -4.444 6.773 11.974 1.00 0.00 C ATOM 1607 CD GLU B 13 -3.102 6.068 12.008 1.00 0.00 C ATOM 1608 OE1 GLU B 13 -2.989 4.979 11.407 1.00 0.00 O ATOM 1609 OE2 GLU B 13 -2.164 6.606 12.633 1.00 0.00 O ATOM 1610 OXT GLU B 13 -5.729 10.156 10.764 1.00 0.00 O ATOM 0 H GLU B 13 -5.887 7.842 8.433 1.00 0.00 H new ATOM 0 HA GLU B 13 -7.004 7.196 10.930 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -4.942 6.209 9.971 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -4.128 7.755 10.100 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -4.386 7.684 12.569 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -5.197 6.136 12.439 1.00 0.00 H new