USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 443 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 22 SER OG : rot -133:sc= -0.881 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 30 GLN : amide:sc=-0.00473 X(o=-0.0047,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 139:sc= -1.43 USER MOD Single : A 38 HIS :FLIP no HD1:sc= -0.756 F(o=-2.7,f=-0.76) USER MOD Single : A 43 SER OG : rot -156:sc= -0.232 USER MOD Single : A 44 SER OG : rot 180:sc= 0.0059 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -178:sc= -2.54 (180deg=-2.58) USER MOD Single : A 51 MET CE :methyl 167:sc= -0.0131 (180deg=-0.309) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 158:sc= -0.0841 (180deg=-0.559) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0213 USER MOD Single : A 58 ASN : amide:sc= -0.234 X(o=-0.23,f=-0.24) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 30:sc= -0.591 USER MOD Single : A 69 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0309) USER MOD Single : A 79 CYS SG : rot 16:sc= -1.25 USER MOD ----------------------------------------------------------------- ATOM 214 N VAL A 19 -5.973 5.156 1.021 1.00 0.00 N ATOM 215 CA VAL A 19 -6.452 3.827 0.681 1.00 0.00 C ATOM 216 C VAL A 19 -5.583 3.248 -0.439 1.00 0.00 C ATOM 217 O VAL A 19 -5.393 3.885 -1.473 1.00 0.00 O ATOM 218 CB VAL A 19 -7.937 3.882 0.318 1.00 0.00 C ATOM 219 CG1 VAL A 19 -8.157 4.671 -0.974 1.00 0.00 C ATOM 220 CG2 VAL A 19 -8.527 2.474 0.207 1.00 0.00 C ATOM 0 HA VAL A 19 -6.366 3.159 1.538 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.459 4.402 1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.221 4.695 -1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.791 5.690 -0.845 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.616 4.192 -1.790 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.584 2.542 -0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.998 1.918 -0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.420 1.958 1.161 1.00 0.00 H new ATOM 230 N LEU A 20 -5.080 2.047 -0.192 1.00 0.00 N ATOM 231 CA LEU A 20 -4.237 1.375 -1.167 1.00 0.00 C ATOM 232 C LEU A 20 -5.111 0.522 -2.089 1.00 0.00 C ATOM 233 O LEU A 20 -5.312 -0.664 -1.835 1.00 0.00 O ATOM 234 CB LEU A 20 -3.130 0.585 -0.464 1.00 0.00 C ATOM 235 CG LEU A 20 -1.976 1.412 0.105 1.00 0.00 C ATOM 236 CD1 LEU A 20 -1.494 0.836 1.439 1.00 0.00 C ATOM 237 CD2 LEU A 20 -0.837 1.536 -0.909 1.00 0.00 C ATOM 0 H LEU A 20 -5.240 1.522 0.668 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.726 2.104 -1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.578 0.015 0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.720 -0.136 -1.171 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.343 2.419 0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.673 1.443 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.315 0.842 2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.150 -0.188 1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.030 2.129 -0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.464 0.543 -1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.205 2.025 -1.811 1.00 0.00 H new ATOM 248 N ARG A 21 -5.605 1.160 -3.139 1.00 0.00 N ATOM 249 CA ARG A 21 -6.452 0.475 -4.100 1.00 0.00 C ATOM 250 C ARG A 21 -5.597 -0.317 -5.092 1.00 0.00 C ATOM 251 O ARG A 21 -4.382 -0.133 -5.154 1.00 0.00 O ATOM 252 CB ARG A 21 -7.327 1.467 -4.870 1.00 0.00 C ATOM 253 CG ARG A 21 -8.622 1.760 -4.110 1.00 0.00 C ATOM 254 CD ARG A 21 -9.466 2.801 -4.847 1.00 0.00 C ATOM 255 NE ARG A 21 -10.470 3.381 -3.928 1.00 0.00 N ATOM 256 CZ ARG A 21 -11.607 3.967 -4.329 1.00 0.00 C ATOM 257 NH1 ARG A 21 -11.891 4.053 -5.636 1.00 0.00 N ATOM 258 NH2 ARG A 21 -12.459 4.466 -3.424 1.00 0.00 N ATOM 0 H ARG A 21 -5.435 2.144 -3.346 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.097 -0.207 -3.546 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.777 2.394 -5.030 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.562 1.062 -5.854 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.195 0.840 -3.992 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.387 2.120 -3.109 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.824 3.589 -5.241 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.965 2.340 -5.699 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.285 3.332 -2.926 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.242 3.673 -6.325 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.756 4.499 -5.942 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.243 4.400 -2.429 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.324 4.912 -3.729 1.00 0.00 H new ATOM 269 N SER A 22 -6.265 -1.180 -5.844 1.00 0.00 N ATOM 270 CA SER A 22 -5.581 -1.999 -6.830 1.00 0.00 C ATOM 271 C SER A 22 -5.570 -1.288 -8.185 1.00 0.00 C ATOM 272 O SER A 22 -6.624 -1.004 -8.749 1.00 0.00 O ATOM 273 CB SER A 22 -6.243 -3.373 -6.957 1.00 0.00 C ATOM 274 OG SER A 22 -5.802 -4.072 -8.118 1.00 0.00 O ATOM 0 H SER A 22 -7.273 -1.330 -5.790 1.00 0.00 H new ATOM 0 HA SER A 22 -4.554 -2.149 -6.498 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.020 -3.966 -6.070 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.326 -3.252 -6.996 1.00 0.00 H new ATOM 0 HG SER A 22 -6.576 -4.444 -8.590 1.00 0.00 H new ATOM 279 N PRO A 23 -4.332 -1.014 -8.679 1.00 0.00 N ATOM 280 CA PRO A 23 -4.169 -0.341 -9.956 1.00 0.00 C ATOM 281 C PRO A 23 -4.460 -1.293 -11.118 1.00 0.00 C ATOM 282 O PRO A 23 -4.702 -0.852 -12.241 1.00 0.00 O ATOM 283 CB PRO A 23 -2.738 0.170 -9.952 1.00 0.00 C ATOM 284 CG PRO A 23 -2.012 -0.631 -8.882 1.00 0.00 C ATOM 285 CD PRO A 23 -3.061 -1.336 -8.037 1.00 0.00 C ATOM 0 HA PRO A 23 -4.871 0.482 -10.090 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.271 0.032 -10.927 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -2.705 1.237 -9.731 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.339 -1.356 -9.339 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -1.401 0.025 -8.263 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.891 -2.412 -8.012 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.039 -0.986 -7.005 1.00 0.00 H new ATOM 290 N SER A 24 -4.428 -2.581 -10.808 1.00 0.00 N ATOM 291 CA SER A 24 -4.686 -3.598 -11.813 1.00 0.00 C ATOM 292 C SER A 24 -5.045 -4.923 -11.136 1.00 0.00 C ATOM 293 O SER A 24 -4.711 -5.140 -9.972 1.00 0.00 O ATOM 294 CB SER A 24 -3.477 -3.783 -12.733 1.00 0.00 C ATOM 295 OG SER A 24 -3.865 -4.021 -14.083 1.00 0.00 O ATOM 0 H SER A 24 -4.227 -2.943 -9.876 1.00 0.00 H new ATOM 0 HA SER A 24 -5.527 -3.269 -12.424 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.848 -2.894 -12.688 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.874 -4.618 -12.376 1.00 0.00 H new ATOM 0 HG SER A 24 -3.065 -4.132 -14.638 1.00 0.00 H new ATOM 300 N ALA A 25 -5.722 -5.774 -11.894 1.00 0.00 N ATOM 301 CA ALA A 25 -6.131 -7.070 -11.381 1.00 0.00 C ATOM 302 C ALA A 25 -4.888 -7.903 -11.065 1.00 0.00 C ATOM 303 O ALA A 25 -3.778 -7.538 -11.448 1.00 0.00 O ATOM 304 CB ALA A 25 -7.048 -7.754 -12.397 1.00 0.00 C ATOM 0 H ALA A 25 -5.997 -5.591 -12.859 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.696 -6.956 -10.456 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.355 -8.727 -12.013 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.929 -7.135 -12.566 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.513 -7.888 -13.337 1.00 0.00 H new ATOM 310 N GLY A 26 -5.116 -9.007 -10.369 1.00 0.00 N ATOM 311 CA GLY A 26 -4.028 -9.896 -9.997 1.00 0.00 C ATOM 312 C GLY A 26 -4.485 -10.916 -8.953 1.00 0.00 C ATOM 313 O GLY A 26 -5.591 -11.450 -9.044 1.00 0.00 O ATOM 0 H GLY A 26 -6.038 -9.306 -10.053 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.660 -10.416 -10.882 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.197 -9.313 -9.601 1.00 0.00 H new ATOM 317 N LYS A 27 -3.613 -11.157 -7.985 1.00 0.00 N ATOM 318 CA LYS A 27 -3.914 -12.104 -6.925 1.00 0.00 C ATOM 319 C LYS A 27 -2.926 -11.906 -5.775 1.00 0.00 C ATOM 320 O LYS A 27 -1.747 -12.232 -5.901 1.00 0.00 O ATOM 321 CB LYS A 27 -3.941 -13.532 -7.474 1.00 0.00 C ATOM 322 CG LYS A 27 -4.521 -14.504 -6.445 1.00 0.00 C ATOM 323 CD LYS A 27 -4.948 -15.815 -7.108 1.00 0.00 C ATOM 324 CE LYS A 27 -5.071 -16.938 -6.076 1.00 0.00 C ATOM 325 NZ LYS A 27 -4.204 -18.079 -6.446 1.00 0.00 N ATOM 0 H LYS A 27 -2.698 -10.713 -7.913 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.911 -11.923 -6.524 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.537 -13.564 -8.386 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.931 -13.841 -7.743 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.779 -14.708 -5.673 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.378 -14.047 -5.950 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.903 -15.676 -7.615 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.221 -16.095 -7.870 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.792 -16.566 -5.090 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.108 -17.268 -6.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.299 -18.832 -5.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.489 -18.444 -7.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.214 -17.764 -6.486 1.00 0.00 H new ATOM 335 N LEU A 28 -3.443 -11.372 -4.677 1.00 0.00 N ATOM 336 CA LEU A 28 -2.620 -11.127 -3.505 1.00 0.00 C ATOM 337 C LEU A 28 -1.927 -12.426 -3.093 1.00 0.00 C ATOM 338 O LEU A 28 -2.444 -13.514 -3.339 1.00 0.00 O ATOM 339 CB LEU A 28 -3.453 -10.493 -2.390 1.00 0.00 C ATOM 340 CG LEU A 28 -2.666 -9.795 -1.278 1.00 0.00 C ATOM 341 CD1 LEU A 28 -1.945 -8.555 -1.813 1.00 0.00 C ATOM 342 CD2 LEU A 28 -3.571 -9.463 -0.090 1.00 0.00 C ATOM 0 H LEU A 28 -4.421 -11.102 -4.575 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.835 -10.406 -3.734 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.131 -9.767 -2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.070 -11.270 -1.938 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.901 -10.483 -0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.393 -8.077 -1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.251 -8.849 -2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.676 -7.855 -2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.987 -8.968 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.373 -8.802 -0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.999 -10.382 0.310 1.00 0.00 H new ATOM 353 N THR A 29 -0.767 -12.270 -2.472 1.00 0.00 N ATOM 354 CA THR A 29 0.003 -13.417 -2.022 1.00 0.00 C ATOM 355 C THR A 29 0.488 -13.205 -0.586 1.00 0.00 C ATOM 356 O THR A 29 0.238 -14.035 0.286 1.00 0.00 O ATOM 357 CB THR A 29 1.139 -13.644 -3.021 1.00 0.00 C ATOM 358 OG1 THR A 29 1.837 -12.402 -3.041 1.00 0.00 O ATOM 359 CG2 THR A 29 0.634 -13.812 -4.456 1.00 0.00 C ATOM 0 H THR A 29 -0.341 -11.365 -2.270 1.00 0.00 H new ATOM 0 HA THR A 29 -0.609 -14.318 -1.994 1.00 0.00 H new ATOM 0 HB THR A 29 1.705 -14.529 -2.731 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.592 -12.461 -3.663 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.481 -13.970 -5.124 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.035 -14.671 -4.508 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.095 -12.914 -4.760 1.00 0.00 H new ATOM 367 N GLN A 30 1.173 -12.089 -0.386 1.00 0.00 N ATOM 368 CA GLN A 30 1.696 -11.758 0.928 1.00 0.00 C ATOM 369 C GLN A 30 2.202 -10.314 0.948 1.00 0.00 C ATOM 370 O GLN A 30 2.085 -9.596 -0.044 1.00 0.00 O ATOM 371 CB GLN A 30 2.801 -12.732 1.340 1.00 0.00 C ATOM 372 CG GLN A 30 4.004 -12.626 0.401 1.00 0.00 C ATOM 373 CD GLN A 30 5.306 -12.937 1.140 1.00 0.00 C ATOM 374 OE1 GLN A 30 5.443 -13.947 1.812 1.00 0.00 O ATOM 375 NE2 GLN A 30 6.252 -12.016 0.983 1.00 0.00 N ATOM 0 H GLN A 30 1.378 -11.403 -1.112 1.00 0.00 H new ATOM 0 HA GLN A 30 0.888 -11.850 1.654 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.114 -12.521 2.363 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.415 -13.751 1.329 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.881 -13.317 -0.433 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.052 -11.622 -0.022 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.073 -11.194 0.407 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.157 -12.132 1.439 1.00 0.00 H new ATOM 382 N TYR A 31 2.753 -9.930 2.091 1.00 0.00 N ATOM 383 CA TYR A 31 3.277 -8.586 2.255 1.00 0.00 C ATOM 384 C TYR A 31 4.792 -8.610 2.470 1.00 0.00 C ATOM 385 O TYR A 31 5.375 -9.670 2.690 1.00 0.00 O ATOM 386 CB TYR A 31 2.606 -8.021 3.507 1.00 0.00 C ATOM 387 CG TYR A 31 2.467 -9.031 4.649 1.00 0.00 C ATOM 388 CD1 TYR A 31 3.589 -9.472 5.320 1.00 0.00 C ATOM 389 CD2 TYR A 31 1.220 -9.499 5.007 1.00 0.00 C ATOM 390 CE1 TYR A 31 3.459 -10.422 6.394 1.00 0.00 C ATOM 391 CE2 TYR A 31 1.089 -10.450 6.081 1.00 0.00 C ATOM 392 CZ TYR A 31 2.215 -10.864 6.721 1.00 0.00 C ATOM 393 OH TYR A 31 2.092 -11.762 7.735 1.00 0.00 O ATOM 0 H TYR A 31 2.847 -10.527 2.912 1.00 0.00 H new ATOM 0 HA TYR A 31 3.078 -7.986 1.367 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.182 -7.165 3.860 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.616 -7.651 3.240 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.565 -9.104 5.040 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.342 -9.153 4.482 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.329 -10.775 6.928 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.119 -10.825 6.371 1.00 0.00 H new ATOM 0 HH TYR A 31 1.147 -11.988 7.859 1.00 0.00 H new ATOM 402 N THR A 32 5.387 -7.427 2.399 1.00 0.00 N ATOM 403 CA THR A 32 6.822 -7.299 2.583 1.00 0.00 C ATOM 404 C THR A 32 7.127 -6.446 3.815 1.00 0.00 C ATOM 405 O THR A 32 8.275 -6.061 4.039 1.00 0.00 O ATOM 406 CB THR A 32 7.417 -6.737 1.291 1.00 0.00 C ATOM 407 OG1 THR A 32 6.841 -5.438 1.181 1.00 0.00 O ATOM 408 CG2 THR A 32 6.916 -7.473 0.046 1.00 0.00 C ATOM 0 H THR A 32 4.900 -6.549 2.217 1.00 0.00 H new ATOM 0 HA THR A 32 7.284 -8.267 2.775 1.00 0.00 H new ATOM 0 HB THR A 32 8.504 -6.798 1.335 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.522 -4.803 0.875 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.369 -7.034 -0.843 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.190 -8.526 0.111 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.832 -7.384 -0.018 1.00 0.00 H new ATOM 416 N VAL A 33 6.081 -6.174 4.582 1.00 0.00 N ATOM 417 CA VAL A 33 6.224 -5.373 5.785 1.00 0.00 C ATOM 418 C VAL A 33 5.436 -6.025 6.923 1.00 0.00 C ATOM 419 O VAL A 33 4.461 -6.735 6.681 1.00 0.00 O ATOM 420 CB VAL A 33 5.792 -3.931 5.508 1.00 0.00 C ATOM 421 CG1 VAL A 33 6.223 -3.490 4.108 1.00 0.00 C ATOM 422 CG2 VAL A 33 4.283 -3.766 5.696 1.00 0.00 C ATOM 0 H VAL A 33 5.131 -6.494 4.393 1.00 0.00 H new ATOM 0 HA VAL A 33 7.268 -5.332 6.095 1.00 0.00 H new ATOM 0 HB VAL A 33 6.291 -3.286 6.231 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.904 -2.462 3.936 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.308 -3.552 4.025 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.764 -4.141 3.364 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.002 -2.733 5.493 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.756 -4.427 5.008 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.014 -4.021 6.721 1.00 0.00 H new ATOM 432 N GLU A 34 5.887 -5.760 8.140 1.00 0.00 N ATOM 433 CA GLU A 34 5.236 -6.312 9.316 1.00 0.00 C ATOM 434 C GLU A 34 4.002 -5.483 9.677 1.00 0.00 C ATOM 435 O GLU A 34 3.691 -4.501 9.006 1.00 0.00 O ATOM 436 CB GLU A 34 6.208 -6.391 10.495 1.00 0.00 C ATOM 437 CG GLU A 34 6.548 -4.995 11.020 1.00 0.00 C ATOM 438 CD GLU A 34 8.062 -4.803 11.128 1.00 0.00 C ATOM 439 OE1 GLU A 34 8.700 -4.708 10.058 1.00 0.00 O ATOM 440 OE2 GLU A 34 8.548 -4.757 12.279 1.00 0.00 O ATOM 0 H GLU A 34 6.695 -5.170 8.337 1.00 0.00 H new ATOM 0 HA GLU A 34 4.913 -7.327 9.086 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.768 -6.987 11.295 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.121 -6.899 10.185 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.129 -4.240 10.355 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.089 -4.848 11.998 1.00 0.00 H new ATOM 445 N ASP A 35 3.332 -5.910 10.738 1.00 0.00 N ATOM 446 CA ASP A 35 2.139 -5.220 11.197 1.00 0.00 C ATOM 447 C ASP A 35 2.398 -3.711 11.202 1.00 0.00 C ATOM 448 O ASP A 35 3.373 -3.247 11.791 1.00 0.00 O ATOM 449 CB ASP A 35 1.773 -5.641 12.623 1.00 0.00 C ATOM 450 CG ASP A 35 0.521 -4.972 13.192 1.00 0.00 C ATOM 451 OD1 ASP A 35 -0.578 -5.513 12.939 1.00 0.00 O ATOM 452 OD2 ASP A 35 0.689 -3.934 13.869 1.00 0.00 O ATOM 0 H ASP A 35 3.593 -6.725 11.293 1.00 0.00 H new ATOM 0 HA ASP A 35 1.321 -5.476 10.524 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.630 -6.721 12.642 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.615 -5.420 13.279 1.00 0.00 H new ATOM 456 N GLY A 36 1.507 -2.988 10.539 1.00 0.00 N ATOM 457 CA GLY A 36 1.627 -1.542 10.459 1.00 0.00 C ATOM 458 C GLY A 36 3.046 -1.131 10.059 1.00 0.00 C ATOM 459 O GLY A 36 3.570 -0.137 10.557 1.00 0.00 O ATOM 0 H GLY A 36 0.699 -3.377 10.052 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.914 -1.154 9.732 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.374 -1.099 11.422 1.00 0.00 H new ATOM 463 N GLY A 37 3.625 -1.918 9.165 1.00 0.00 N ATOM 464 CA GLY A 37 4.973 -1.647 8.692 1.00 0.00 C ATOM 465 C GLY A 37 5.058 -0.267 8.038 1.00 0.00 C ATOM 466 O GLY A 37 4.191 0.104 7.247 1.00 0.00 O ATOM 0 H GLY A 37 3.187 -2.743 8.755 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.673 -1.702 9.526 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.271 -2.412 7.975 1.00 0.00 H new ATOM 470 N HIS A 38 6.110 0.456 8.391 1.00 0.00 N ATOM 471 CA HIS A 38 6.319 1.788 7.848 1.00 0.00 C ATOM 472 C HIS A 38 7.386 1.733 6.752 1.00 0.00 C ATOM 473 O HIS A 38 8.429 1.105 6.927 1.00 0.00 O ATOM 474 CB HIS A 38 6.664 2.781 8.961 1.00 0.00 C ATOM 475 CG HIS A 38 7.482 3.962 8.498 1.00 0.00 C ATOM 476 ND1 HIS A 38 7.422 4.692 7.348 1.00 0.00 N flip ATOM 477 CD2 HIS A 38 8.501 4.511 9.257 1.00 0.00 C flip ATOM 478 CE1 HIS A 38 8.353 5.636 7.400 1.00 0.00 C flip ATOM 479 NE2 HIS A 38 9.023 5.525 8.583 1.00 0.00 N flip ATOM 0 H HIS A 38 6.827 0.145 9.046 1.00 0.00 H new ATOM 0 HA HIS A 38 5.396 2.148 7.392 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.739 3.146 9.408 1.00 0.00 H new ATOM 0 HB3 HIS A 38 7.212 2.257 9.744 1.00 0.00 H new ATOM 0 HD2 HIS A 38 8.817 4.171 10.232 1.00 0.00 H new ATOM 0 HE1 HIS A 38 8.548 6.371 6.633 1.00 0.00 H new ATOM 0 HE2 HIS A 38 9.792 6.119 8.894 1.00 0.00 H new ATOM 486 N VAL A 39 7.086 2.399 5.646 1.00 0.00 N ATOM 487 CA VAL A 39 8.006 2.434 4.522 1.00 0.00 C ATOM 488 C VAL A 39 8.017 3.841 3.922 1.00 0.00 C ATOM 489 O VAL A 39 7.336 4.737 4.418 1.00 0.00 O ATOM 490 CB VAL A 39 7.631 1.354 3.506 1.00 0.00 C ATOM 491 CG1 VAL A 39 7.830 -0.046 4.093 1.00 0.00 C ATOM 492 CG2 VAL A 39 6.195 1.542 3.010 1.00 0.00 C ATOM 0 H VAL A 39 6.219 2.918 5.505 1.00 0.00 H new ATOM 0 HA VAL A 39 9.021 2.213 4.852 1.00 0.00 H new ATOM 0 HB VAL A 39 8.297 1.455 2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.556 -0.795 3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.875 -0.178 4.373 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.201 -0.163 4.975 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.954 0.761 2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.508 1.481 3.854 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.099 2.518 2.534 1.00 0.00 H new ATOM 502 N GLU A 40 8.799 3.992 2.862 1.00 0.00 N ATOM 503 CA GLU A 40 8.909 5.275 2.190 1.00 0.00 C ATOM 504 C GLU A 40 8.006 5.306 0.956 1.00 0.00 C ATOM 505 O GLU A 40 7.639 4.259 0.424 1.00 0.00 O ATOM 506 CB GLU A 40 10.361 5.575 1.815 1.00 0.00 C ATOM 507 CG GLU A 40 11.154 6.055 3.032 1.00 0.00 C ATOM 508 CD GLU A 40 12.300 6.978 2.611 1.00 0.00 C ATOM 509 OE1 GLU A 40 11.996 7.998 1.955 1.00 0.00 O ATOM 510 OE2 GLU A 40 13.455 6.643 2.953 1.00 0.00 O ATOM 0 H GLU A 40 9.362 3.247 2.453 1.00 0.00 H new ATOM 0 HA GLU A 40 8.578 6.053 2.878 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.826 4.679 1.403 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.389 6.336 1.035 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.491 6.582 3.718 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.553 5.196 3.572 1.00 0.00 H new ATOM 515 N ALA A 41 7.673 6.518 0.535 1.00 0.00 N ATOM 516 CA ALA A 41 6.820 6.698 -0.627 1.00 0.00 C ATOM 517 C ALA A 41 7.530 6.149 -1.866 1.00 0.00 C ATOM 518 O ALA A 41 8.467 6.765 -2.373 1.00 0.00 O ATOM 519 CB ALA A 41 6.459 8.178 -0.770 1.00 0.00 C ATOM 0 H ALA A 41 7.979 7.384 0.978 1.00 0.00 H new ATOM 0 HA ALA A 41 5.888 6.144 -0.509 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.819 8.314 -1.642 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.931 8.512 0.123 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.370 8.764 -0.894 1.00 0.00 H new ATOM 525 N GLY A 42 7.057 4.998 -2.319 1.00 0.00 N ATOM 526 CA GLY A 42 7.634 4.359 -3.489 1.00 0.00 C ATOM 527 C GLY A 42 8.076 2.928 -3.171 1.00 0.00 C ATOM 528 O GLY A 42 8.015 2.051 -4.031 1.00 0.00 O ATOM 0 H GLY A 42 6.280 4.491 -1.896 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.904 4.346 -4.298 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.488 4.938 -3.840 1.00 0.00 H new ATOM 532 N SER A 43 8.509 2.738 -1.934 1.00 0.00 N ATOM 533 CA SER A 43 8.960 1.430 -1.492 1.00 0.00 C ATOM 534 C SER A 43 7.838 0.403 -1.667 1.00 0.00 C ATOM 535 O SER A 43 6.669 0.770 -1.786 1.00 0.00 O ATOM 536 CB SER A 43 9.421 1.469 -0.034 1.00 0.00 C ATOM 537 OG SER A 43 10.054 2.703 0.293 1.00 0.00 O ATOM 0 H SER A 43 8.557 3.468 -1.224 1.00 0.00 H new ATOM 0 HA SER A 43 9.812 1.137 -2.106 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.564 1.317 0.621 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.113 0.647 0.150 1.00 0.00 H new ATOM 0 HG SER A 43 10.653 2.571 1.057 1.00 0.00 H new ATOM 542 N SER A 44 8.233 -0.862 -1.677 1.00 0.00 N ATOM 543 CA SER A 44 7.276 -1.943 -1.835 1.00 0.00 C ATOM 544 C SER A 44 6.840 -2.462 -0.463 1.00 0.00 C ATOM 545 O SER A 44 7.676 -2.699 0.408 1.00 0.00 O ATOM 546 CB SER A 44 7.864 -3.082 -2.670 1.00 0.00 C ATOM 547 OG SER A 44 9.192 -3.407 -2.269 1.00 0.00 O ATOM 0 H SER A 44 9.203 -1.162 -1.578 1.00 0.00 H new ATOM 0 HA SER A 44 6.405 -1.553 -2.363 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.231 -3.964 -2.577 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.862 -2.798 -3.722 1.00 0.00 H new ATOM 0 HG SER A 44 9.531 -4.139 -2.825 1.00 0.00 H new ATOM 552 N TYR A 45 5.533 -2.621 -0.313 1.00 0.00 N ATOM 553 CA TYR A 45 4.978 -3.107 0.938 1.00 0.00 C ATOM 554 C TYR A 45 4.321 -4.476 0.751 1.00 0.00 C ATOM 555 O TYR A 45 4.171 -5.233 1.709 1.00 0.00 O ATOM 556 CB TYR A 45 3.906 -2.093 1.344 1.00 0.00 C ATOM 557 CG TYR A 45 2.600 -2.218 0.559 1.00 0.00 C ATOM 558 CD1 TYR A 45 1.702 -3.219 0.867 1.00 0.00 C ATOM 559 CD2 TYR A 45 2.319 -1.329 -0.459 1.00 0.00 C ATOM 560 CE1 TYR A 45 0.473 -3.337 0.127 1.00 0.00 C ATOM 561 CE2 TYR A 45 1.090 -1.447 -1.200 1.00 0.00 C ATOM 562 CZ TYR A 45 0.227 -2.445 -0.870 1.00 0.00 C ATOM 563 OH TYR A 45 -0.934 -2.556 -1.569 1.00 0.00 O ATOM 0 H TYR A 45 4.843 -2.422 -1.037 1.00 0.00 H new ATOM 0 HA TYR A 45 5.760 -3.214 1.689 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.692 -2.212 2.406 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.303 -1.087 1.210 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.921 -3.914 1.664 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.021 -0.545 -0.700 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.238 -4.116 0.358 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.859 -0.759 -2.000 1.00 0.00 H new ATOM 0 HH TYR A 45 -0.975 -1.852 -2.249 1.00 0.00 H new ATOM 572 N ALA A 46 3.948 -4.754 -0.489 1.00 0.00 N ATOM 573 CA ALA A 46 3.311 -6.019 -0.814 1.00 0.00 C ATOM 574 C ALA A 46 3.510 -6.318 -2.301 1.00 0.00 C ATOM 575 O ALA A 46 4.133 -5.536 -3.017 1.00 0.00 O ATOM 576 CB ALA A 46 1.833 -5.962 -0.423 1.00 0.00 C ATOM 0 H ALA A 46 4.075 -4.125 -1.282 1.00 0.00 H new ATOM 0 HA ALA A 46 3.766 -6.834 -0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.355 -6.911 -0.667 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.747 -5.777 0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.342 -5.157 -0.971 1.00 0.00 H new ATOM 582 N GLU A 47 2.969 -7.452 -2.722 1.00 0.00 N ATOM 583 CA GLU A 47 3.079 -7.865 -4.110 1.00 0.00 C ATOM 584 C GLU A 47 1.759 -8.471 -4.591 1.00 0.00 C ATOM 585 O GLU A 47 0.821 -8.623 -3.810 1.00 0.00 O ATOM 586 CB GLU A 47 4.235 -8.848 -4.300 1.00 0.00 C ATOM 587 CG GLU A 47 5.583 -8.158 -4.079 1.00 0.00 C ATOM 588 CD GLU A 47 6.571 -8.513 -5.192 1.00 0.00 C ATOM 589 OE1 GLU A 47 6.101 -8.664 -6.341 1.00 0.00 O ATOM 590 OE2 GLU A 47 7.773 -8.628 -4.869 1.00 0.00 O ATOM 0 H GLU A 47 2.453 -8.098 -2.125 1.00 0.00 H new ATOM 0 HA GLU A 47 3.292 -6.983 -4.714 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.129 -9.679 -3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.198 -9.269 -5.305 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.441 -7.078 -4.045 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.994 -8.456 -3.114 1.00 0.00 H new ATOM 595 N MET A 48 1.729 -8.802 -5.873 1.00 0.00 N ATOM 596 CA MET A 48 0.540 -9.390 -6.466 1.00 0.00 C ATOM 597 C MET A 48 0.901 -10.265 -7.668 1.00 0.00 C ATOM 598 O MET A 48 1.988 -10.138 -8.228 1.00 0.00 O ATOM 599 CB MET A 48 -0.411 -8.276 -6.913 1.00 0.00 C ATOM 600 CG MET A 48 0.236 -7.401 -7.988 1.00 0.00 C ATOM 601 SD MET A 48 -0.659 -5.866 -8.147 1.00 0.00 S ATOM 602 CE MET A 48 -2.262 -6.490 -8.625 1.00 0.00 C ATOM 0 H MET A 48 2.509 -8.674 -6.518 1.00 0.00 H new ATOM 0 HA MET A 48 0.055 -10.017 -5.717 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.332 -8.713 -7.300 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.685 -7.662 -6.056 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.275 -7.200 -7.728 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.242 -7.928 -8.942 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.940 -5.655 -8.802 1.00 0.00 H new ATOM 0 HE2 MET A 48 -2.166 -7.079 -9.537 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.660 -7.118 -7.828 1.00 0.00 H new ATOM 610 N GLU A 49 -0.032 -11.135 -8.027 1.00 0.00 N ATOM 611 CA GLU A 49 0.175 -12.031 -9.152 1.00 0.00 C ATOM 612 C GLU A 49 -0.904 -11.807 -10.214 1.00 0.00 C ATOM 613 O GLU A 49 -2.053 -12.204 -10.031 1.00 0.00 O ATOM 614 CB GLU A 49 0.197 -13.490 -8.694 1.00 0.00 C ATOM 615 CG GLU A 49 0.332 -14.439 -9.886 1.00 0.00 C ATOM 616 CD GLU A 49 0.923 -15.782 -9.454 1.00 0.00 C ATOM 617 OE1 GLU A 49 0.592 -16.212 -8.328 1.00 0.00 O ATOM 618 OE2 GLU A 49 1.691 -16.349 -10.260 1.00 0.00 O ATOM 0 H GLU A 49 -0.932 -11.238 -7.559 1.00 0.00 H new ATOM 0 HA GLU A 49 1.146 -11.808 -9.595 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.027 -13.646 -8.005 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.718 -13.716 -8.147 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.645 -14.598 -10.342 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.968 -13.985 -10.646 1.00 0.00 H new ATOM 623 N VAL A 50 -0.494 -11.172 -11.303 1.00 0.00 N ATOM 624 CA VAL A 50 -1.410 -10.891 -12.395 1.00 0.00 C ATOM 625 C VAL A 50 -0.821 -11.428 -13.700 1.00 0.00 C ATOM 626 O VAL A 50 0.389 -11.360 -13.914 1.00 0.00 O ATOM 627 CB VAL A 50 -1.715 -9.392 -12.449 1.00 0.00 C ATOM 628 CG1 VAL A 50 -0.425 -8.572 -12.504 1.00 0.00 C ATOM 629 CG2 VAL A 50 -2.627 -9.061 -13.632 1.00 0.00 C ATOM 0 H VAL A 50 0.460 -10.844 -11.452 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.362 -11.398 -12.235 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.243 -9.124 -11.534 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.670 -7.511 -12.542 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.173 -8.775 -11.616 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.142 -8.845 -13.394 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.828 -7.990 -13.648 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.137 -9.352 -14.561 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.566 -9.605 -13.531 1.00 0.00 H new ATOM 639 N MET A 51 -1.703 -11.950 -14.540 1.00 0.00 N ATOM 640 CA MET A 51 -1.285 -12.499 -15.819 1.00 0.00 C ATOM 641 C MET A 51 -0.160 -13.519 -15.636 1.00 0.00 C ATOM 642 O MET A 51 0.751 -13.596 -16.459 1.00 0.00 O ATOM 643 CB MET A 51 -0.805 -11.366 -16.728 1.00 0.00 C ATOM 644 CG MET A 51 -1.960 -10.802 -17.558 1.00 0.00 C ATOM 645 SD MET A 51 -1.898 -11.460 -19.216 1.00 0.00 S ATOM 646 CE MET A 51 -3.041 -12.822 -19.052 1.00 0.00 C ATOM 0 H MET A 51 -2.705 -12.004 -14.360 1.00 0.00 H new ATOM 0 HA MET A 51 -2.137 -13.004 -16.273 1.00 0.00 H new ATOM 0 HB2 MET A 51 -0.365 -10.572 -16.124 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.022 -11.734 -17.391 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.912 -11.057 -17.092 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.900 -9.714 -17.587 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.300 -13.201 -20.041 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.578 -13.618 -18.468 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.944 -12.480 -18.547 1.00 0.00 H new ATOM 654 N LYS A 52 -0.261 -14.276 -14.554 1.00 0.00 N ATOM 655 CA LYS A 52 0.737 -15.289 -14.254 1.00 0.00 C ATOM 656 C LYS A 52 2.066 -14.607 -13.924 1.00 0.00 C ATOM 657 O LYS A 52 3.098 -15.268 -13.819 1.00 0.00 O ATOM 658 CB LYS A 52 0.834 -16.303 -15.395 1.00 0.00 C ATOM 659 CG LYS A 52 -0.353 -17.268 -15.373 1.00 0.00 C ATOM 660 CD LYS A 52 -0.363 -18.154 -16.620 1.00 0.00 C ATOM 661 CE LYS A 52 0.122 -19.568 -16.292 1.00 0.00 C ATOM 662 NZ LYS A 52 -0.524 -20.557 -17.183 1.00 0.00 N ATOM 0 H LYS A 52 -1.018 -14.209 -13.874 1.00 0.00 H new ATOM 0 HA LYS A 52 0.444 -15.862 -13.374 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.864 -15.779 -16.350 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.765 -16.864 -15.310 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.303 -17.891 -14.480 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.284 -16.704 -15.316 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.372 -18.198 -17.031 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.275 -17.716 -17.387 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.205 -19.622 -16.403 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.104 -19.804 -15.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.184 -21.511 -16.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.556 -20.516 -17.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.287 -20.340 -18.172 1.00 0.00 H new ATOM 672 N MET A 53 1.998 -13.292 -13.768 1.00 0.00 N ATOM 673 CA MET A 53 3.183 -12.514 -13.452 1.00 0.00 C ATOM 674 C MET A 53 3.073 -11.890 -12.059 1.00 0.00 C ATOM 675 O MET A 53 1.980 -11.546 -11.613 1.00 0.00 O ATOM 676 CB MET A 53 3.360 -11.408 -14.495 1.00 0.00 C ATOM 677 CG MET A 53 4.288 -10.308 -13.974 1.00 0.00 C ATOM 678 SD MET A 53 5.162 -9.554 -15.335 1.00 0.00 S ATOM 679 CE MET A 53 6.770 -10.298 -15.122 1.00 0.00 C ATOM 0 H MET A 53 1.140 -12.747 -13.855 1.00 0.00 H new ATOM 0 HA MET A 53 4.046 -13.179 -13.465 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.770 -11.830 -15.413 1.00 0.00 H new ATOM 0 HB3 MET A 53 2.389 -10.981 -14.746 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.709 -9.554 -13.440 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.999 -10.727 -13.262 1.00 0.00 H new ATOM 0 HE1 MET A 53 7.445 -9.933 -15.896 1.00 0.00 H new ATOM 0 HE2 MET A 53 7.166 -10.034 -14.141 1.00 0.00 H new ATOM 0 HE3 MET A 53 6.682 -11.382 -15.198 1.00 0.00 H new ATOM 687 N ILE A 54 4.221 -11.764 -11.410 1.00 0.00 N ATOM 688 CA ILE A 54 4.269 -11.187 -10.077 1.00 0.00 C ATOM 689 C ILE A 54 4.664 -9.712 -10.178 1.00 0.00 C ATOM 690 O ILE A 54 5.682 -9.378 -10.781 1.00 0.00 O ATOM 691 CB ILE A 54 5.188 -12.009 -9.171 1.00 0.00 C ATOM 692 CG1 ILE A 54 4.797 -13.488 -9.190 1.00 0.00 C ATOM 693 CG2 ILE A 54 5.208 -11.440 -7.751 1.00 0.00 C ATOM 694 CD1 ILE A 54 3.419 -13.699 -8.560 1.00 0.00 C ATOM 0 H ILE A 54 5.126 -12.052 -11.783 1.00 0.00 H new ATOM 0 HA ILE A 54 3.284 -11.222 -9.611 1.00 0.00 H new ATOM 0 HB ILE A 54 6.204 -11.940 -9.561 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.791 -13.853 -10.217 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.542 -14.072 -8.649 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.868 -12.042 -7.127 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.570 -10.412 -7.776 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.200 -11.460 -7.337 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.165 -14.759 -8.586 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.435 -13.355 -7.526 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.673 -13.133 -9.118 1.00 0.00 H new ATOM 705 N MET A 55 3.837 -8.869 -9.577 1.00 0.00 N ATOM 706 CA MET A 55 4.087 -7.438 -9.591 1.00 0.00 C ATOM 707 C MET A 55 4.218 -6.890 -8.168 1.00 0.00 C ATOM 708 O MET A 55 3.470 -7.287 -7.275 1.00 0.00 O ATOM 709 CB MET A 55 2.939 -6.726 -10.309 1.00 0.00 C ATOM 710 CG MET A 55 2.891 -7.114 -11.788 1.00 0.00 C ATOM 711 SD MET A 55 1.689 -6.111 -12.644 1.00 0.00 S ATOM 712 CE MET A 55 2.568 -4.558 -12.704 1.00 0.00 C ATOM 0 H MET A 55 2.993 -9.150 -9.077 1.00 0.00 H new ATOM 0 HA MET A 55 5.024 -7.257 -10.117 1.00 0.00 H new ATOM 0 HB2 MET A 55 1.993 -6.982 -9.832 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.061 -5.647 -10.216 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.874 -6.982 -12.239 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.634 -8.169 -11.888 1.00 0.00 H new ATOM 0 HE1 MET A 55 2.169 -3.945 -13.512 1.00 0.00 H new ATOM 0 HE2 MET A 55 2.446 -4.034 -11.756 1.00 0.00 H new ATOM 0 HE3 MET A 55 3.627 -4.746 -12.881 1.00 0.00 H new ATOM 720 N THR A 56 5.173 -5.987 -8.002 1.00 0.00 N ATOM 721 CA THR A 56 5.412 -5.382 -6.702 1.00 0.00 C ATOM 722 C THR A 56 4.404 -4.260 -6.444 1.00 0.00 C ATOM 723 O THR A 56 3.977 -3.577 -7.374 1.00 0.00 O ATOM 724 CB THR A 56 6.867 -4.913 -6.660 1.00 0.00 C ATOM 725 OG1 THR A 56 7.558 -5.849 -7.483 1.00 0.00 O ATOM 726 CG2 THR A 56 7.501 -5.093 -5.279 1.00 0.00 C ATOM 0 H THR A 56 5.790 -5.660 -8.745 1.00 0.00 H new ATOM 0 HA THR A 56 5.264 -6.101 -5.897 1.00 0.00 H new ATOM 0 HB THR A 56 6.918 -3.863 -6.949 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.510 -5.618 -7.513 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.534 -4.745 -5.304 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.941 -4.515 -4.544 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.481 -6.148 -5.004 1.00 0.00 H new ATOM 734 N LEU A 57 4.053 -4.104 -5.177 1.00 0.00 N ATOM 735 CA LEU A 57 3.103 -3.077 -4.784 1.00 0.00 C ATOM 736 C LEU A 57 3.815 -2.031 -3.924 1.00 0.00 C ATOM 737 O LEU A 57 4.378 -2.360 -2.881 1.00 0.00 O ATOM 738 CB LEU A 57 1.884 -3.704 -4.106 1.00 0.00 C ATOM 739 CG LEU A 57 0.711 -4.053 -5.023 1.00 0.00 C ATOM 740 CD1 LEU A 57 -0.142 -5.174 -4.423 1.00 0.00 C ATOM 741 CD2 LEU A 57 -0.122 -2.810 -5.346 1.00 0.00 C ATOM 0 H LEU A 57 4.409 -4.672 -4.408 1.00 0.00 H new ATOM 0 HA LEU A 57 2.718 -2.559 -5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.204 -4.613 -3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.527 -3.017 -3.338 1.00 0.00 H new ATOM 0 HG LEU A 57 1.114 -4.425 -5.965 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.969 -5.402 -5.096 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.471 -6.065 -4.287 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.537 -4.854 -3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.949 -3.086 -6.000 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.515 -2.385 -4.422 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.505 -2.072 -5.847 1.00 0.00 H new ATOM 752 N ASN A 58 3.768 -0.793 -4.393 1.00 0.00 N ATOM 753 CA ASN A 58 4.402 0.303 -3.679 1.00 0.00 C ATOM 754 C ASN A 58 3.326 1.166 -3.017 1.00 0.00 C ATOM 755 O ASN A 58 2.153 1.085 -3.377 1.00 0.00 O ATOM 756 CB ASN A 58 5.200 1.192 -4.633 1.00 0.00 C ATOM 757 CG ASN A 58 4.449 1.398 -5.950 1.00 0.00 C ATOM 758 OD1 ASN A 58 3.555 2.220 -6.063 1.00 0.00 O ATOM 759 ND2 ASN A 58 4.860 0.606 -6.937 1.00 0.00 N ATOM 0 H ASN A 58 3.301 -0.524 -5.259 1.00 0.00 H new ATOM 0 HA ASN A 58 5.075 -0.124 -2.935 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.389 2.157 -4.163 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.171 0.739 -4.831 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.421 0.666 -7.856 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.614 -0.061 -6.775 1.00 0.00 H new ATOM 765 N VAL A 59 3.764 1.971 -2.061 1.00 0.00 N ATOM 766 CA VAL A 59 2.852 2.848 -1.345 1.00 0.00 C ATOM 767 C VAL A 59 2.738 4.178 -2.094 1.00 0.00 C ATOM 768 O VAL A 59 3.742 4.729 -2.543 1.00 0.00 O ATOM 769 CB VAL A 59 3.314 3.015 0.103 1.00 0.00 C ATOM 770 CG1 VAL A 59 3.461 1.656 0.792 1.00 0.00 C ATOM 771 CG2 VAL A 59 4.620 3.808 0.174 1.00 0.00 C ATOM 0 H VAL A 59 4.738 2.035 -1.765 1.00 0.00 H new ATOM 0 HA VAL A 59 1.854 2.411 -1.304 1.00 0.00 H new ATOM 0 HB VAL A 59 2.549 3.580 0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.791 1.803 1.820 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.500 1.141 0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.197 1.055 0.258 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.926 3.912 1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.396 3.281 -0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.470 4.796 -0.261 1.00 0.00 H new ATOM 781 N GLN A 60 1.507 4.655 -2.204 1.00 0.00 N ATOM 782 CA GLN A 60 1.250 5.910 -2.889 1.00 0.00 C ATOM 783 C GLN A 60 1.909 7.069 -2.140 1.00 0.00 C ATOM 784 O GLN A 60 2.284 8.071 -2.747 1.00 0.00 O ATOM 785 CB GLN A 60 -0.253 6.147 -3.052 1.00 0.00 C ATOM 786 CG GLN A 60 -0.767 5.530 -4.355 1.00 0.00 C ATOM 787 CD GLN A 60 -0.891 6.591 -5.451 1.00 0.00 C ATOM 788 OE1 GLN A 60 0.038 6.864 -6.194 1.00 0.00 O ATOM 789 NE2 GLN A 60 -2.087 7.171 -5.510 1.00 0.00 N ATOM 0 H GLN A 60 0.677 4.195 -1.830 1.00 0.00 H new ATOM 0 HA GLN A 60 1.687 5.853 -3.886 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.787 5.715 -2.205 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.459 7.217 -3.046 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.088 4.742 -4.681 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.737 5.064 -4.183 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.821 6.895 -4.857 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.270 7.892 -6.208 1.00 0.00 H new ATOM 796 N GLU A 61 2.031 6.894 -0.832 1.00 0.00 N ATOM 797 CA GLU A 61 2.639 7.913 0.005 1.00 0.00 C ATOM 798 C GLU A 61 3.140 7.296 1.312 1.00 0.00 C ATOM 799 O GLU A 61 2.411 6.560 1.975 1.00 0.00 O ATOM 800 CB GLU A 61 1.658 9.055 0.280 1.00 0.00 C ATOM 801 CG GLU A 61 1.179 9.692 -1.026 1.00 0.00 C ATOM 802 CD GLU A 61 0.348 10.947 -0.753 1.00 0.00 C ATOM 803 OE1 GLU A 61 -0.764 10.782 -0.205 1.00 0.00 O ATOM 804 OE2 GLU A 61 0.842 12.042 -1.097 1.00 0.00 O ATOM 0 H GLU A 61 1.719 6.062 -0.332 1.00 0.00 H new ATOM 0 HA GLU A 61 3.492 8.331 -0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.802 8.677 0.840 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.138 9.810 0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.038 9.948 -1.646 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.584 8.973 -1.588 1.00 0.00 H new ATOM 809 N ARG A 62 4.382 7.619 1.645 1.00 0.00 N ATOM 810 CA ARG A 62 4.989 7.105 2.861 1.00 0.00 C ATOM 811 C ARG A 62 3.952 7.035 3.983 1.00 0.00 C ATOM 812 O ARG A 62 2.961 7.765 3.965 1.00 0.00 O ATOM 813 CB ARG A 62 6.156 7.987 3.308 1.00 0.00 C ATOM 814 CG ARG A 62 5.664 9.367 3.749 1.00 0.00 C ATOM 815 CD ARG A 62 6.291 10.471 2.898 1.00 0.00 C ATOM 816 NE ARG A 62 6.415 11.714 3.691 1.00 0.00 N ATOM 817 CZ ARG A 62 7.345 11.914 4.635 1.00 0.00 C ATOM 818 NH1 ARG A 62 8.239 10.953 4.908 1.00 0.00 N ATOM 819 NH2 ARG A 62 7.382 13.073 5.305 1.00 0.00 N ATOM 0 H ARG A 62 4.984 8.230 1.093 1.00 0.00 H new ATOM 0 HA ARG A 62 5.365 6.105 2.647 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.686 7.506 4.130 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.868 8.095 2.490 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.578 9.413 3.667 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.912 9.527 4.798 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.273 10.156 2.545 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.678 10.653 2.015 1.00 0.00 H new ATOM 0 HE ARG A 62 5.751 12.466 3.508 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.211 10.070 4.397 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.947 11.104 5.626 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.702 13.804 5.097 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.090 13.224 6.023 1.00 0.00 H new ATOM 830 N GLY A 63 4.215 6.151 4.934 1.00 0.00 N ATOM 831 CA GLY A 63 3.317 5.975 6.062 1.00 0.00 C ATOM 832 C GLY A 63 3.402 4.551 6.616 1.00 0.00 C ATOM 833 O GLY A 63 4.494 4.007 6.771 1.00 0.00 O ATOM 0 H GLY A 63 5.038 5.549 4.946 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.568 6.689 6.846 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.294 6.188 5.753 1.00 0.00 H new ATOM 837 N ARG A 64 2.237 3.989 6.899 1.00 0.00 N ATOM 838 CA ARG A 64 2.166 2.640 7.432 1.00 0.00 C ATOM 839 C ARG A 64 1.200 1.792 6.603 1.00 0.00 C ATOM 840 O ARG A 64 0.061 2.192 6.368 1.00 0.00 O ATOM 841 CB ARG A 64 1.705 2.647 8.892 1.00 0.00 C ATOM 842 CG ARG A 64 2.762 3.280 9.798 1.00 0.00 C ATOM 843 CD ARG A 64 2.442 3.029 11.272 1.00 0.00 C ATOM 844 NE ARG A 64 3.673 2.648 12.000 1.00 0.00 N ATOM 845 CZ ARG A 64 3.797 2.678 13.334 1.00 0.00 C ATOM 846 NH1 ARG A 64 2.766 3.070 14.094 1.00 0.00 N ATOM 847 NH2 ARG A 64 4.952 2.315 13.908 1.00 0.00 N ATOM 0 H ARG A 64 1.333 4.444 6.769 1.00 0.00 H new ATOM 0 HA ARG A 64 3.167 2.211 7.382 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.769 3.199 8.979 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.505 1.627 9.219 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.743 2.869 9.560 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.812 4.353 9.611 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.010 3.925 11.716 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.697 2.238 11.361 1.00 0.00 H new ATOM 0 HE ARG A 64 4.478 2.343 11.452 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.886 3.346 13.657 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.861 3.093 15.109 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.737 2.016 13.330 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.046 2.338 14.923 1.00 0.00 H new ATOM 858 N VAL A 65 1.690 0.634 6.183 1.00 0.00 N ATOM 859 CA VAL A 65 0.884 -0.274 5.384 1.00 0.00 C ATOM 860 C VAL A 65 0.123 -1.223 6.313 1.00 0.00 C ATOM 861 O VAL A 65 0.709 -1.811 7.221 1.00 0.00 O ATOM 862 CB VAL A 65 1.768 -1.008 4.374 1.00 0.00 C ATOM 863 CG1 VAL A 65 0.976 -2.088 3.637 1.00 0.00 C ATOM 864 CG2 VAL A 65 2.405 -0.026 3.389 1.00 0.00 C ATOM 0 H VAL A 65 2.635 0.304 6.381 1.00 0.00 H new ATOM 0 HA VAL A 65 0.144 0.279 4.806 1.00 0.00 H new ATOM 0 HB VAL A 65 2.571 -1.499 4.924 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.627 -2.595 2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.592 -2.812 4.356 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.144 -1.629 3.104 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.028 -0.573 2.682 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.622 0.505 2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.019 0.690 3.935 1.00 0.00 H new ATOM 874 N LYS A 66 -1.171 -1.343 6.052 1.00 0.00 N ATOM 875 CA LYS A 66 -2.017 -2.210 6.853 1.00 0.00 C ATOM 876 C LYS A 66 -2.781 -3.164 5.931 1.00 0.00 C ATOM 877 O LYS A 66 -3.210 -2.774 4.847 1.00 0.00 O ATOM 878 CB LYS A 66 -2.924 -1.382 7.766 1.00 0.00 C ATOM 879 CG LYS A 66 -3.539 -2.250 8.864 1.00 0.00 C ATOM 880 CD LYS A 66 -5.037 -2.453 8.630 1.00 0.00 C ATOM 881 CE LYS A 66 -5.820 -2.322 9.937 1.00 0.00 C ATOM 882 NZ LYS A 66 -6.211 -0.914 10.170 1.00 0.00 N ATOM 0 H LYS A 66 -1.653 -0.854 5.298 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.410 -2.824 7.518 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.350 -0.572 8.217 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.716 -0.921 7.176 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.037 -3.217 8.891 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.380 -1.781 9.835 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.399 -1.719 7.910 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.210 -3.437 8.195 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.710 -2.951 9.899 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.213 -2.679 10.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.742 -0.844 11.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.358 -0.322 10.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.809 -0.585 9.385 1.00 0.00 H new ATOM 892 N TYR A 67 -2.924 -4.396 6.396 1.00 0.00 N ATOM 893 CA TYR A 67 -3.627 -5.409 5.626 1.00 0.00 C ATOM 894 C TYR A 67 -5.138 -5.313 5.845 1.00 0.00 C ATOM 895 O TYR A 67 -5.612 -5.394 6.978 1.00 0.00 O ATOM 896 CB TYR A 67 -3.133 -6.758 6.153 1.00 0.00 C ATOM 897 CG TYR A 67 -2.722 -7.741 5.055 1.00 0.00 C ATOM 898 CD1 TYR A 67 -1.792 -7.367 4.106 1.00 0.00 C ATOM 899 CD2 TYR A 67 -3.281 -9.002 5.014 1.00 0.00 C ATOM 900 CE1 TYR A 67 -1.406 -8.293 3.073 1.00 0.00 C ATOM 901 CE2 TYR A 67 -2.895 -9.929 3.981 1.00 0.00 C ATOM 902 CZ TYR A 67 -1.976 -9.527 3.061 1.00 0.00 C ATOM 903 OH TYR A 67 -1.611 -10.402 2.086 1.00 0.00 O ATOM 0 H TYR A 67 -2.565 -4.716 7.296 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.437 -5.281 4.560 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.282 -6.589 6.813 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.920 -7.211 6.757 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.354 -6.380 4.138 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.008 -9.294 5.757 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.680 -8.013 2.324 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.324 -10.919 3.938 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.686 -10.224 1.817 1.00 0.00 H new ATOM 912 N ILE A 68 -5.854 -5.141 4.744 1.00 0.00 N ATOM 913 CA ILE A 68 -7.302 -5.033 4.801 1.00 0.00 C ATOM 914 C ILE A 68 -7.927 -6.348 4.330 1.00 0.00 C ATOM 915 O ILE A 68 -8.777 -6.916 5.014 1.00 0.00 O ATOM 916 CB ILE A 68 -7.779 -3.809 4.016 1.00 0.00 C ATOM 917 CG1 ILE A 68 -7.262 -2.516 4.648 1.00 0.00 C ATOM 918 CG2 ILE A 68 -9.302 -3.809 3.875 1.00 0.00 C ATOM 919 CD1 ILE A 68 -7.517 -2.502 6.156 1.00 0.00 C ATOM 0 H ILE A 68 -5.458 -5.074 3.806 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.632 -4.873 5.828 1.00 0.00 H new ATOM 0 HB ILE A 68 -7.362 -3.864 3.010 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.194 -2.415 4.455 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.752 -1.660 4.185 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.615 -2.929 3.313 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.618 -4.708 3.347 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.759 -3.790 4.864 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.140 -1.572 6.580 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.588 -2.579 6.345 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.006 -3.346 6.619 1.00 0.00 H new ATOM 930 N LYS A 69 -7.479 -6.794 3.164 1.00 0.00 N ATOM 931 CA LYS A 69 -7.984 -8.032 2.594 1.00 0.00 C ATOM 932 C LYS A 69 -7.033 -9.177 2.949 1.00 0.00 C ATOM 933 O LYS A 69 -5.817 -8.993 2.975 1.00 0.00 O ATOM 934 CB LYS A 69 -8.220 -7.871 1.091 1.00 0.00 C ATOM 935 CG LYS A 69 -9.066 -6.631 0.797 1.00 0.00 C ATOM 936 CD LYS A 69 -10.526 -6.854 1.201 1.00 0.00 C ATOM 937 CE LYS A 69 -11.241 -7.756 0.194 1.00 0.00 C ATOM 938 NZ LYS A 69 -12.069 -6.949 -0.728 1.00 0.00 N ATOM 0 H LYS A 69 -6.773 -6.321 2.600 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.955 -8.281 3.021 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.263 -7.793 0.576 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.720 -8.757 0.701 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.662 -5.775 1.337 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.011 -6.393 -0.265 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.568 -7.305 2.193 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.040 -5.895 1.265 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.508 -8.330 -0.374 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.869 -8.474 0.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.600 -7.581 -1.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.735 -6.369 -0.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.455 -6.329 -1.293 1.00 0.00 H new ATOM 948 N ARG A 70 -7.624 -10.332 3.213 1.00 0.00 N ATOM 949 CA ARG A 70 -6.844 -11.508 3.564 1.00 0.00 C ATOM 950 C ARG A 70 -5.907 -11.887 2.416 1.00 0.00 C ATOM 951 O ARG A 70 -6.149 -11.521 1.266 1.00 0.00 O ATOM 952 CB ARG A 70 -7.752 -12.696 3.886 1.00 0.00 C ATOM 953 CG ARG A 70 -8.512 -12.468 5.194 1.00 0.00 C ATOM 954 CD ARG A 70 -8.292 -13.630 6.165 1.00 0.00 C ATOM 955 NE ARG A 70 -9.567 -14.347 6.392 1.00 0.00 N ATOM 956 CZ ARG A 70 -10.168 -15.118 5.475 1.00 0.00 C ATOM 957 NH1 ARG A 70 -9.616 -15.275 4.265 1.00 0.00 N ATOM 958 NH2 ARG A 70 -11.323 -15.730 5.769 1.00 0.00 N ATOM 0 H ARG A 70 -8.633 -10.480 3.191 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.258 -11.263 4.450 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.460 -12.848 3.072 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.155 -13.604 3.962 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.180 -11.537 5.654 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.576 -12.359 4.986 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.546 -14.315 5.762 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.902 -13.255 7.111 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.016 -14.248 7.303 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.738 -14.808 4.041 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.074 -15.862 3.568 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.744 -15.609 6.690 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.781 -16.317 5.072 1.00 0.00 H new ATOM 969 N PRO A 71 -4.830 -12.634 2.776 1.00 0.00 N ATOM 970 CA PRO A 71 -3.855 -13.067 1.789 1.00 0.00 C ATOM 971 C PRO A 71 -4.408 -14.211 0.938 1.00 0.00 C ATOM 972 O PRO A 71 -4.975 -15.166 1.468 1.00 0.00 O ATOM 973 CB PRO A 71 -2.628 -13.464 2.594 1.00 0.00 C ATOM 974 CG PRO A 71 -3.116 -13.681 4.017 1.00 0.00 C ATOM 975 CD PRO A 71 -4.510 -13.085 4.127 1.00 0.00 C ATOM 0 HA PRO A 71 -3.607 -12.285 1.072 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.175 -14.371 2.194 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.867 -12.684 2.557 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -3.135 -14.744 4.256 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.441 -13.207 4.729 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.230 -13.824 4.478 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.532 -12.257 4.836 1.00 0.00 H new ATOM 980 N GLY A 72 -4.224 -14.078 -0.368 1.00 0.00 N ATOM 981 CA GLY A 72 -4.698 -15.090 -1.298 1.00 0.00 C ATOM 982 C GLY A 72 -6.073 -14.720 -1.856 1.00 0.00 C ATOM 983 O GLY A 72 -6.847 -15.595 -2.242 1.00 0.00 O ATOM 0 H GLY A 72 -3.753 -13.285 -0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.987 -15.199 -2.117 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.754 -16.055 -0.794 1.00 0.00 H new ATOM 987 N ALA A 73 -6.336 -13.422 -1.883 1.00 0.00 N ATOM 988 CA ALA A 73 -7.604 -12.925 -2.388 1.00 0.00 C ATOM 989 C ALA A 73 -7.478 -12.649 -3.888 1.00 0.00 C ATOM 990 O ALA A 73 -6.397 -12.786 -4.459 1.00 0.00 O ATOM 991 CB ALA A 73 -8.016 -11.681 -1.599 1.00 0.00 C ATOM 0 H ALA A 73 -5.692 -12.699 -1.563 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.388 -13.670 -2.255 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.968 -11.308 -1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.121 -11.937 -0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.254 -10.910 -1.711 1.00 0.00 H new ATOM 997 N VAL A 74 -8.598 -12.266 -4.483 1.00 0.00 N ATOM 998 CA VAL A 74 -8.627 -11.969 -5.905 1.00 0.00 C ATOM 999 C VAL A 74 -8.423 -10.467 -6.113 1.00 0.00 C ATOM 1000 O VAL A 74 -9.270 -9.663 -5.725 1.00 0.00 O ATOM 1001 CB VAL A 74 -9.927 -12.488 -6.523 1.00 0.00 C ATOM 1002 CG1 VAL A 74 -11.092 -11.542 -6.220 1.00 0.00 C ATOM 1003 CG2 VAL A 74 -9.772 -12.704 -8.029 1.00 0.00 C ATOM 0 H VAL A 74 -9.493 -12.154 -4.006 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.813 -12.481 -6.418 1.00 0.00 H new ATOM 0 HB VAL A 74 -10.152 -13.453 -6.070 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -12.005 -11.933 -6.670 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.225 -11.462 -5.141 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.877 -10.556 -6.633 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.711 -13.073 -8.442 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.511 -11.760 -8.507 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.983 -13.433 -8.213 1.00 0.00 H new ATOM 1013 N LEU A 75 -7.296 -10.134 -6.724 1.00 0.00 N ATOM 1014 CA LEU A 75 -6.971 -8.742 -6.987 1.00 0.00 C ATOM 1015 C LEU A 75 -7.661 -8.298 -8.278 1.00 0.00 C ATOM 1016 O LEU A 75 -7.465 -8.902 -9.332 1.00 0.00 O ATOM 1017 CB LEU A 75 -5.454 -8.540 -6.999 1.00 0.00 C ATOM 1018 CG LEU A 75 -4.880 -7.702 -5.854 1.00 0.00 C ATOM 1019 CD1 LEU A 75 -4.922 -6.211 -6.193 1.00 0.00 C ATOM 1020 CD2 LEU A 75 -5.595 -8.012 -4.538 1.00 0.00 C ATOM 0 H LEU A 75 -6.596 -10.804 -7.045 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.348 -8.104 -6.188 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.977 -9.520 -6.981 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.178 -8.068 -7.942 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.832 -7.972 -5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.509 -5.637 -5.363 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.333 -6.025 -7.091 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.954 -5.906 -6.366 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.169 -7.404 -3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.657 -7.786 -4.639 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.470 -9.067 -4.296 1.00 0.00 H new ATOM 1031 N GLU A 76 -8.455 -7.245 -8.154 1.00 0.00 N ATOM 1032 CA GLU A 76 -9.176 -6.712 -9.298 1.00 0.00 C ATOM 1033 C GLU A 76 -8.899 -5.215 -9.449 1.00 0.00 C ATOM 1034 O GLU A 76 -8.496 -4.555 -8.493 1.00 0.00 O ATOM 1035 CB GLU A 76 -10.677 -6.983 -9.175 1.00 0.00 C ATOM 1036 CG GLU A 76 -11.067 -8.258 -9.924 1.00 0.00 C ATOM 1037 CD GLU A 76 -12.444 -8.756 -9.480 1.00 0.00 C ATOM 1038 OE1 GLU A 76 -12.743 -8.600 -8.277 1.00 0.00 O ATOM 1039 OE2 GLU A 76 -13.168 -9.281 -10.354 1.00 0.00 O ATOM 0 H GLU A 76 -8.615 -6.746 -7.279 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.821 -7.219 -10.195 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.948 -7.077 -8.123 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.237 -6.137 -9.574 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.075 -8.066 -10.997 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.321 -9.032 -9.744 1.00 0.00 H new ATOM 1044 N ALA A 77 -9.128 -4.723 -10.658 1.00 0.00 N ATOM 1045 CA ALA A 77 -8.908 -3.316 -10.948 1.00 0.00 C ATOM 1046 C ALA A 77 -9.826 -2.469 -10.064 1.00 0.00 C ATOM 1047 O ALA A 77 -11.003 -2.788 -9.900 1.00 0.00 O ATOM 1048 CB ALA A 77 -9.134 -3.059 -12.438 1.00 0.00 C ATOM 0 H ALA A 77 -9.464 -5.274 -11.448 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.880 -3.034 -10.722 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.969 -2.004 -12.654 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.438 -3.662 -13.021 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.157 -3.328 -12.703 1.00 0.00 H new ATOM 1054 N GLY A 78 -9.254 -1.407 -9.517 1.00 0.00 N ATOM 1055 CA GLY A 78 -10.006 -0.511 -8.655 1.00 0.00 C ATOM 1056 C GLY A 78 -10.664 -1.280 -7.506 1.00 0.00 C ATOM 1057 O GLY A 78 -11.879 -1.217 -7.328 1.00 0.00 O ATOM 0 H GLY A 78 -8.277 -1.146 -9.654 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.342 0.254 -8.252 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.770 0.004 -9.237 1.00 0.00 H new ATOM 1061 N CYS A 79 -9.832 -1.989 -6.758 1.00 0.00 N ATOM 1062 CA CYS A 79 -10.316 -2.768 -5.633 1.00 0.00 C ATOM 1063 C CYS A 79 -9.540 -2.345 -4.384 1.00 0.00 C ATOM 1064 O CYS A 79 -8.584 -1.575 -4.475 1.00 0.00 O ATOM 1065 CB CYS A 79 -10.199 -4.272 -5.894 1.00 0.00 C ATOM 1066 SG CYS A 79 -11.649 -4.855 -6.847 1.00 0.00 S ATOM 0 H CYS A 79 -8.825 -2.040 -6.910 1.00 0.00 H new ATOM 0 HA CYS A 79 -11.378 -2.572 -5.483 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.282 -4.484 -6.444 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.135 -4.810 -4.948 1.00 0.00 H new ATOM 0 HG CYS A 79 -12.268 -3.835 -7.363 1.00 0.00 H new ATOM 1071 N VAL A 80 -9.980 -2.865 -3.248 1.00 0.00 N ATOM 1072 CA VAL A 80 -9.337 -2.550 -1.983 1.00 0.00 C ATOM 1073 C VAL A 80 -8.288 -3.617 -1.669 1.00 0.00 C ATOM 1074 O VAL A 80 -8.572 -4.812 -1.738 1.00 0.00 O ATOM 1075 CB VAL A 80 -10.392 -2.406 -0.883 1.00 0.00 C ATOM 1076 CG1 VAL A 80 -11.077 -3.745 -0.601 1.00 0.00 C ATOM 1077 CG2 VAL A 80 -9.778 -1.825 0.392 1.00 0.00 C ATOM 0 H VAL A 80 -10.773 -3.502 -3.177 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.818 -1.594 -2.046 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.152 -1.709 -1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -11.822 -3.614 0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.565 -4.102 -1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.333 -4.473 -0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.548 -1.733 1.158 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.988 -2.486 0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.359 -0.842 0.179 1.00 0.00 H new ATOM 1087 N VAL A 81 -7.096 -3.149 -1.329 1.00 0.00 N ATOM 1088 CA VAL A 81 -6.003 -4.048 -1.003 1.00 0.00 C ATOM 1089 C VAL A 81 -5.549 -3.793 0.435 1.00 0.00 C ATOM 1090 O VAL A 81 -5.567 -4.699 1.266 1.00 0.00 O ATOM 1091 CB VAL A 81 -4.874 -3.890 -2.024 1.00 0.00 C ATOM 1092 CG1 VAL A 81 -3.703 -4.816 -1.694 1.00 0.00 C ATOM 1093 CG2 VAL A 81 -5.382 -4.133 -3.446 1.00 0.00 C ATOM 0 H VAL A 81 -6.863 -2.157 -1.272 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.332 -5.086 -1.060 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.514 -2.863 -1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.915 -4.684 -2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.315 -4.574 -0.704 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.043 -5.851 -1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.560 -4.014 -4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.782 -5.144 -3.522 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.167 -3.414 -3.680 1.00 0.00 H new ATOM 1103 N ALA A 82 -5.152 -2.553 0.686 1.00 0.00 N ATOM 1104 CA ALA A 82 -4.695 -2.167 2.010 1.00 0.00 C ATOM 1105 C ALA A 82 -4.990 -0.683 2.234 1.00 0.00 C ATOM 1106 O ALA A 82 -5.570 -0.024 1.372 1.00 0.00 O ATOM 1107 CB ALA A 82 -3.207 -2.493 2.151 1.00 0.00 C ATOM 0 H ALA A 82 -5.138 -1.803 -0.005 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.226 -2.728 2.778 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.864 -2.204 3.144 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.054 -3.563 2.012 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.641 -1.945 1.398 1.00 0.00 H new ATOM 1113 N ARG A 83 -4.577 -0.199 3.397 1.00 0.00 N ATOM 1114 CA ARG A 83 -4.791 1.195 3.745 1.00 0.00 C ATOM 1115 C ARG A 83 -3.478 1.836 4.199 1.00 0.00 C ATOM 1116 O ARG A 83 -2.628 1.168 4.788 1.00 0.00 O ATOM 1117 CB ARG A 83 -5.830 1.332 4.860 1.00 0.00 C ATOM 1118 CG ARG A 83 -7.191 0.800 4.409 1.00 0.00 C ATOM 1119 CD ARG A 83 -8.123 1.946 4.012 1.00 0.00 C ATOM 1120 NE ARG A 83 -9.398 1.842 4.756 1.00 0.00 N ATOM 1121 CZ ARG A 83 -9.570 2.267 6.017 1.00 0.00 C ATOM 1122 NH1 ARG A 83 -8.549 2.825 6.680 1.00 0.00 N ATOM 1123 NH2 ARG A 83 -10.762 2.131 6.612 1.00 0.00 N ATOM 0 H ARG A 83 -4.096 -0.748 4.109 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.160 1.706 2.856 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.496 0.786 5.742 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.922 2.379 5.149 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.059 0.124 3.564 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.644 0.220 5.213 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.646 2.903 4.223 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.315 1.915 2.939 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.196 1.421 4.280 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.641 2.927 6.226 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.679 3.148 7.639 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.539 1.704 6.107 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.893 2.454 7.571 1.00 0.00 H new ATOM 1134 N LEU A 84 -3.352 3.122 3.909 1.00 0.00 N ATOM 1135 CA LEU A 84 -2.156 3.860 4.280 1.00 0.00 C ATOM 1136 C LEU A 84 -2.462 4.739 5.494 1.00 0.00 C ATOM 1137 O LEU A 84 -3.558 5.287 5.608 1.00 0.00 O ATOM 1138 CB LEU A 84 -1.611 4.636 3.079 1.00 0.00 C ATOM 1139 CG LEU A 84 -0.093 4.822 3.034 1.00 0.00 C ATOM 1140 CD1 LEU A 84 0.390 5.673 4.210 1.00 0.00 C ATOM 1141 CD2 LEU A 84 0.623 3.471 2.972 1.00 0.00 C ATOM 0 H LEU A 84 -4.059 3.673 3.421 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.361 3.175 4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.921 4.123 2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.078 5.621 3.065 1.00 0.00 H new ATOM 0 HG LEU A 84 0.158 5.362 2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.472 5.790 4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.084 6.654 4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.126 5.182 5.147 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.701 3.631 2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.369 2.884 3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.310 2.934 2.076 1.00 0.00 H new ATOM 1152 N GLU A 85 -1.473 4.848 6.369 1.00 0.00 N ATOM 1153 CA GLU A 85 -1.623 5.653 7.571 1.00 0.00 C ATOM 1154 C GLU A 85 -0.487 6.674 7.670 1.00 0.00 C ATOM 1155 O GLU A 85 0.594 6.360 8.164 1.00 0.00 O ATOM 1156 CB GLU A 85 -1.676 4.769 8.818 1.00 0.00 C ATOM 1157 CG GLU A 85 -3.121 4.538 9.265 1.00 0.00 C ATOM 1158 CD GLU A 85 -3.257 4.691 10.782 1.00 0.00 C ATOM 1159 OE1 GLU A 85 -3.360 5.855 11.227 1.00 0.00 O ATOM 1160 OE2 GLU A 85 -3.256 3.641 11.461 1.00 0.00 O ATOM 0 H GLU A 85 -0.565 4.393 6.270 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.567 6.194 7.509 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.198 3.812 8.610 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.112 5.238 9.625 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -3.778 5.248 8.764 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.443 3.540 8.966 1.00 0.00 H new