USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=14 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 Set 1.1: A 51 MET CE :methyl -120:sc= 0 (180deg=0) USER MOD Set 1.2: A 53 MET CE :methyl 171:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -125:sc= -0.315 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 111:sc= 0.121 USER MOD Single : A 30 GLN : amide:sc= -0.0745 K(o=-0.074,f=-1.8!) USER MOD Single : A 31 TYR OH : rot 167:sc= 0.972 USER MOD Single : A 32 THR OG1 : rot 120:sc= -0.0459 USER MOD Single : A 38 HIS : no HD1:sc= -0.301 X(o=-0.3,f=0.056) USER MOD Single : A 43 SER OG : rot 82:sc= 0.545 USER MOD Single : A 44 SER OG : rot 180:sc= 0.00179 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -133:sc= -1.69 (180deg=-2.18) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -45:sc= 0.461 USER MOD Single : A 58 ASN : amide:sc= -0.114 X(o=-0.11,f=-0.29) USER MOD Single : A 60 GLN : amide:sc= -0.0804 X(o=-0.08,f=-0.47) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 214 N VAL A 19 -5.808 5.297 0.760 1.00 0.00 N ATOM 215 CA VAL A 19 -6.448 4.021 0.485 1.00 0.00 C ATOM 216 C VAL A 19 -5.753 3.352 -0.702 1.00 0.00 C ATOM 217 O VAL A 19 -5.944 3.757 -1.848 1.00 0.00 O ATOM 218 CB VAL A 19 -7.947 4.226 0.261 1.00 0.00 C ATOM 219 CG1 VAL A 19 -8.211 4.939 -1.067 1.00 0.00 C ATOM 220 CG2 VAL A 19 -8.699 2.894 0.326 1.00 0.00 C ATOM 0 HA VAL A 19 -6.348 3.352 1.340 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.321 4.862 1.063 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.284 5.072 -1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.723 5.913 -1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.814 4.340 -1.887 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.763 3.068 0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.319 2.224 -0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.551 2.440 1.306 1.00 0.00 H new ATOM 230 N LEU A 20 -4.959 2.338 -0.388 1.00 0.00 N ATOM 231 CA LEU A 20 -4.234 1.609 -1.413 1.00 0.00 C ATOM 232 C LEU A 20 -5.208 0.716 -2.184 1.00 0.00 C ATOM 233 O LEU A 20 -5.458 -0.422 -1.790 1.00 0.00 O ATOM 234 CB LEU A 20 -3.057 0.849 -0.800 1.00 0.00 C ATOM 235 CG LEU A 20 -1.989 1.705 -0.116 1.00 0.00 C ATOM 236 CD1 LEU A 20 -1.127 0.858 0.823 1.00 0.00 C ATOM 237 CD2 LEU A 20 -1.145 2.457 -1.147 1.00 0.00 C ATOM 0 H LEU A 20 -4.802 2.005 0.563 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.796 2.300 -2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.448 0.140 -0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.578 0.265 -1.586 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.492 2.454 0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.376 1.490 1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.758 0.408 1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.632 0.072 0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.394 3.058 -0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.651 1.742 -1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.788 3.108 -1.738 1.00 0.00 H new ATOM 248 N ARG A 21 -5.733 1.265 -3.269 1.00 0.00 N ATOM 249 CA ARG A 21 -6.675 0.533 -4.098 1.00 0.00 C ATOM 250 C ARG A 21 -5.935 -0.221 -5.204 1.00 0.00 C ATOM 251 O ARG A 21 -4.934 0.265 -5.729 1.00 0.00 O ATOM 252 CB ARG A 21 -7.701 1.475 -4.731 1.00 0.00 C ATOM 253 CG ARG A 21 -8.763 1.894 -3.713 1.00 0.00 C ATOM 254 CD ARG A 21 -9.818 2.795 -4.360 1.00 0.00 C ATOM 255 NE ARG A 21 -11.093 2.697 -3.614 1.00 0.00 N ATOM 256 CZ ARG A 21 -11.893 1.623 -3.633 1.00 0.00 C ATOM 257 NH1 ARG A 21 -11.556 0.549 -4.359 1.00 0.00 N ATOM 258 NH2 ARG A 21 -13.032 1.623 -2.926 1.00 0.00 N ATOM 0 H ARG A 21 -5.524 2.209 -3.594 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.198 -0.177 -3.457 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.196 2.359 -5.120 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.179 0.982 -5.578 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.242 1.008 -3.297 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.290 2.420 -2.884 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.470 3.828 -4.368 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.971 2.502 -5.399 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.380 3.497 -3.050 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.690 0.549 -4.898 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.166 -0.269 -4.373 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.289 2.441 -2.374 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.641 0.805 -2.940 1.00 0.00 H new ATOM 269 N SER A 22 -6.454 -1.397 -5.525 1.00 0.00 N ATOM 270 CA SER A 22 -5.855 -2.223 -6.559 1.00 0.00 C ATOM 271 C SER A 22 -5.639 -1.397 -7.829 1.00 0.00 C ATOM 272 O SER A 22 -6.594 -1.076 -8.535 1.00 0.00 O ATOM 273 CB SER A 22 -6.724 -3.445 -6.862 1.00 0.00 C ATOM 274 OG SER A 22 -6.369 -4.061 -8.096 1.00 0.00 O ATOM 0 H SER A 22 -7.283 -1.798 -5.087 1.00 0.00 H new ATOM 0 HA SER A 22 -4.891 -2.579 -6.196 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.625 -4.170 -6.054 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.772 -3.145 -6.895 1.00 0.00 H new ATOM 0 HG SER A 22 -7.162 -4.127 -8.669 1.00 0.00 H new ATOM 279 N PRO A 23 -4.345 -1.069 -8.089 1.00 0.00 N ATOM 280 CA PRO A 23 -3.992 -0.287 -9.261 1.00 0.00 C ATOM 281 C PRO A 23 -4.067 -1.137 -10.531 1.00 0.00 C ATOM 282 O PRO A 23 -3.791 -0.650 -11.626 1.00 0.00 O ATOM 283 CB PRO A 23 -2.593 0.236 -8.978 1.00 0.00 C ATOM 284 CG PRO A 23 -2.033 -0.646 -7.874 1.00 0.00 C ATOM 285 CD PRO A 23 -3.188 -1.432 -7.275 1.00 0.00 C ATOM 0 HA PRO A 23 -4.682 0.537 -9.440 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.970 0.187 -9.871 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -2.622 1.280 -8.667 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.277 -1.322 -8.272 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -1.547 -0.039 -7.110 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.998 -2.505 -7.312 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.343 -1.172 -6.228 1.00 0.00 H new ATOM 290 N SER A 24 -4.440 -2.395 -10.341 1.00 0.00 N ATOM 291 CA SER A 24 -4.554 -3.318 -11.457 1.00 0.00 C ATOM 292 C SER A 24 -4.986 -4.697 -10.953 1.00 0.00 C ATOM 293 O SER A 24 -4.843 -5.002 -9.771 1.00 0.00 O ATOM 294 CB SER A 24 -3.235 -3.421 -12.225 1.00 0.00 C ATOM 295 OG SER A 24 -3.410 -3.198 -13.621 1.00 0.00 O ATOM 0 H SER A 24 -4.667 -2.796 -9.431 1.00 0.00 H new ATOM 0 HA SER A 24 -5.311 -2.935 -12.142 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.527 -2.694 -11.828 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.800 -4.408 -12.068 1.00 0.00 H new ATOM 0 HG SER A 24 -2.545 -3.271 -14.075 1.00 0.00 H new ATOM 300 N ALA A 25 -5.503 -5.494 -11.877 1.00 0.00 N ATOM 301 CA ALA A 25 -5.956 -6.833 -11.542 1.00 0.00 C ATOM 302 C ALA A 25 -4.741 -7.734 -11.311 1.00 0.00 C ATOM 303 O ALA A 25 -3.656 -7.463 -11.824 1.00 0.00 O ATOM 304 CB ALA A 25 -6.869 -7.357 -12.652 1.00 0.00 C ATOM 0 H ALA A 25 -5.618 -5.238 -12.858 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.538 -6.822 -10.621 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.208 -8.362 -12.400 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.731 -6.698 -12.755 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.319 -7.385 -13.593 1.00 0.00 H new ATOM 310 N GLY A 26 -4.964 -8.787 -10.538 1.00 0.00 N ATOM 311 CA GLY A 26 -3.901 -9.730 -10.234 1.00 0.00 C ATOM 312 C GLY A 26 -4.360 -10.758 -9.198 1.00 0.00 C ATOM 313 O GLY A 26 -5.513 -11.184 -9.211 1.00 0.00 O ATOM 0 H GLY A 26 -5.865 -9.008 -10.113 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.591 -10.241 -11.146 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.030 -9.193 -9.858 1.00 0.00 H new ATOM 317 N LYS A 27 -3.433 -11.127 -8.326 1.00 0.00 N ATOM 318 CA LYS A 27 -3.728 -12.098 -7.287 1.00 0.00 C ATOM 319 C LYS A 27 -2.870 -11.795 -6.055 1.00 0.00 C ATOM 320 O LYS A 27 -1.648 -11.924 -6.099 1.00 0.00 O ATOM 321 CB LYS A 27 -3.560 -13.522 -7.819 1.00 0.00 C ATOM 322 CG LYS A 27 -4.265 -14.533 -6.913 1.00 0.00 C ATOM 323 CD LYS A 27 -3.935 -15.967 -7.330 1.00 0.00 C ATOM 324 CE LYS A 27 -4.994 -16.518 -8.287 1.00 0.00 C ATOM 325 NZ LYS A 27 -4.372 -16.940 -9.562 1.00 0.00 N ATOM 0 H LYS A 27 -2.477 -10.771 -8.318 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.770 -12.021 -6.978 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.967 -13.587 -8.828 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.500 -13.766 -7.886 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.962 -14.373 -5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.343 -14.377 -6.957 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.957 -15.994 -7.810 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.874 -16.601 -6.446 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.503 -17.364 -7.827 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.750 -15.757 -8.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.105 -17.311 -10.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.906 -16.124 -10.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.667 -17.682 -9.376 1.00 0.00 H new ATOM 335 N LEU A 28 -3.546 -11.401 -4.986 1.00 0.00 N ATOM 336 CA LEU A 28 -2.860 -11.080 -3.745 1.00 0.00 C ATOM 337 C LEU A 28 -2.022 -12.281 -3.305 1.00 0.00 C ATOM 338 O LEU A 28 -2.506 -13.412 -3.299 1.00 0.00 O ATOM 339 CB LEU A 28 -3.860 -10.608 -2.688 1.00 0.00 C ATOM 340 CG LEU A 28 -3.262 -9.929 -1.454 1.00 0.00 C ATOM 341 CD1 LEU A 28 -2.412 -8.719 -1.851 1.00 0.00 C ATOM 342 CD2 LEU A 28 -4.354 -9.558 -0.449 1.00 0.00 C ATOM 0 H LEU A 28 -4.560 -11.297 -4.953 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.171 -10.248 -3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.555 -9.913 -3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.443 -11.468 -2.358 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.599 -10.640 -0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.999 -8.255 -0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.598 -9.043 -2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.033 -7.996 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.902 -9.077 0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.061 -8.873 -0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.878 -10.460 -0.132 1.00 0.00 H new ATOM 353 N THR A 29 -0.779 -11.995 -2.946 1.00 0.00 N ATOM 354 CA THR A 29 0.132 -13.039 -2.506 1.00 0.00 C ATOM 355 C THR A 29 0.393 -12.919 -1.004 1.00 0.00 C ATOM 356 O THR A 29 0.008 -13.796 -0.231 1.00 0.00 O ATOM 357 CB THR A 29 1.402 -12.946 -3.353 1.00 0.00 C ATOM 358 OG1 THR A 29 1.673 -11.548 -3.421 1.00 0.00 O ATOM 359 CG2 THR A 29 1.167 -13.351 -4.810 1.00 0.00 C ATOM 0 H THR A 29 -0.381 -11.056 -2.951 1.00 0.00 H new ATOM 0 HA THR A 29 -0.300 -14.029 -2.651 1.00 0.00 H new ATOM 0 HB THR A 29 2.173 -13.583 -2.920 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.482 -11.346 -2.907 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.101 -13.267 -5.366 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.813 -14.381 -4.849 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.419 -12.694 -5.254 1.00 0.00 H new ATOM 367 N GLN A 30 1.045 -11.827 -0.634 1.00 0.00 N ATOM 368 CA GLN A 30 1.362 -11.581 0.763 1.00 0.00 C ATOM 369 C GLN A 30 1.999 -10.200 0.927 1.00 0.00 C ATOM 370 O GLN A 30 2.319 -9.538 -0.058 1.00 0.00 O ATOM 371 CB GLN A 30 2.274 -12.676 1.320 1.00 0.00 C ATOM 372 CG GLN A 30 3.624 -12.684 0.598 1.00 0.00 C ATOM 373 CD GLN A 30 4.700 -13.352 1.457 1.00 0.00 C ATOM 374 OE1 GLN A 30 4.479 -13.725 2.597 1.00 0.00 O ATOM 375 NE2 GLN A 30 5.874 -13.482 0.846 1.00 0.00 N ATOM 0 H GLN A 30 1.363 -11.102 -1.277 1.00 0.00 H new ATOM 0 HA GLN A 30 0.434 -11.602 1.335 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.429 -12.517 2.387 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.792 -13.647 1.209 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.530 -13.213 -0.350 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.922 -11.662 0.365 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.991 -13.148 -0.111 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.658 -13.916 1.334 1.00 0.00 H new ATOM 382 N TYR A 31 2.166 -9.805 2.182 1.00 0.00 N ATOM 383 CA TYR A 31 2.759 -8.516 2.489 1.00 0.00 C ATOM 384 C TYR A 31 4.233 -8.667 2.872 1.00 0.00 C ATOM 385 O TYR A 31 4.619 -9.662 3.482 1.00 0.00 O ATOM 386 CB TYR A 31 1.985 -7.970 3.690 1.00 0.00 C ATOM 387 CG TYR A 31 0.474 -7.881 3.470 1.00 0.00 C ATOM 388 CD1 TYR A 31 -0.076 -6.750 2.903 1.00 0.00 C ATOM 389 CD2 TYR A 31 -0.340 -8.934 3.837 1.00 0.00 C ATOM 390 CE1 TYR A 31 -1.499 -6.668 2.694 1.00 0.00 C ATOM 391 CE2 TYR A 31 -1.763 -8.852 3.629 1.00 0.00 C ATOM 392 CZ TYR A 31 -2.272 -7.722 3.068 1.00 0.00 C ATOM 393 OH TYR A 31 -3.615 -7.644 2.871 1.00 0.00 O ATOM 0 H TYR A 31 1.900 -10.357 2.998 1.00 0.00 H new ATOM 0 HA TYR A 31 2.708 -7.855 1.624 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.179 -8.606 4.554 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.365 -6.978 3.933 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.560 -5.926 2.616 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.090 -9.820 4.280 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.942 -5.789 2.250 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.411 -9.669 3.912 1.00 0.00 H new ATOM 0 HH TYR A 31 -4.015 -8.531 2.986 1.00 0.00 H new ATOM 402 N THR A 32 5.015 -7.665 2.497 1.00 0.00 N ATOM 403 CA THR A 32 6.436 -7.675 2.793 1.00 0.00 C ATOM 404 C THR A 32 6.711 -6.946 4.111 1.00 0.00 C ATOM 405 O THR A 32 7.790 -7.082 4.686 1.00 0.00 O ATOM 406 CB THR A 32 7.173 -7.067 1.599 1.00 0.00 C ATOM 407 OG1 THR A 32 6.949 -5.666 1.729 1.00 0.00 O ATOM 408 CG2 THR A 32 6.520 -7.426 0.263 1.00 0.00 C ATOM 0 H THR A 32 4.690 -6.841 1.991 1.00 0.00 H new ATOM 0 HA THR A 32 6.802 -8.692 2.936 1.00 0.00 H new ATOM 0 HB THR A 32 8.208 -7.408 1.600 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.809 -5.204 1.821 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.082 -6.969 -0.551 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.517 -8.509 0.139 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.495 -7.056 0.248 1.00 0.00 H new ATOM 416 N VAL A 33 5.716 -6.190 4.551 1.00 0.00 N ATOM 417 CA VAL A 33 5.837 -5.441 5.790 1.00 0.00 C ATOM 418 C VAL A 33 4.956 -6.088 6.860 1.00 0.00 C ATOM 419 O VAL A 33 4.066 -6.876 6.544 1.00 0.00 O ATOM 420 CB VAL A 33 5.497 -3.969 5.546 1.00 0.00 C ATOM 421 CG1 VAL A 33 6.266 -3.421 4.343 1.00 0.00 C ATOM 422 CG2 VAL A 33 3.990 -3.777 5.369 1.00 0.00 C ATOM 0 H VAL A 33 4.822 -6.080 4.072 1.00 0.00 H new ATOM 0 HA VAL A 33 6.864 -5.468 6.154 1.00 0.00 H new ATOM 0 HB VAL A 33 5.805 -3.403 6.425 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.006 -2.373 4.192 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.337 -3.506 4.526 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.004 -3.992 3.453 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.775 -2.722 5.197 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.647 -4.361 4.515 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.473 -4.111 6.268 1.00 0.00 H new ATOM 432 N GLU A 34 5.235 -5.732 8.106 1.00 0.00 N ATOM 433 CA GLU A 34 4.480 -6.269 9.225 1.00 0.00 C ATOM 434 C GLU A 34 3.378 -5.291 9.639 1.00 0.00 C ATOM 435 O GLU A 34 3.308 -4.175 9.125 1.00 0.00 O ATOM 436 CB GLU A 34 5.400 -6.590 10.404 1.00 0.00 C ATOM 437 CG GLU A 34 6.270 -5.385 10.766 1.00 0.00 C ATOM 438 CD GLU A 34 6.213 -5.098 12.267 1.00 0.00 C ATOM 439 OE1 GLU A 34 5.086 -5.118 12.807 1.00 0.00 O ATOM 440 OE2 GLU A 34 7.298 -4.865 12.841 1.00 0.00 O ATOM 0 H GLU A 34 5.974 -5.078 8.365 1.00 0.00 H new ATOM 0 HA GLU A 34 4.012 -7.201 8.909 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.802 -6.883 11.267 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.035 -7.439 10.153 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.301 -5.574 10.467 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.933 -4.509 10.212 1.00 0.00 H new ATOM 445 N ASP A 35 2.546 -5.744 10.566 1.00 0.00 N ATOM 446 CA ASP A 35 1.453 -4.923 11.055 1.00 0.00 C ATOM 447 C ASP A 35 1.971 -3.514 11.350 1.00 0.00 C ATOM 448 O ASP A 35 2.891 -3.340 12.147 1.00 0.00 O ATOM 449 CB ASP A 35 0.872 -5.494 12.351 1.00 0.00 C ATOM 450 CG ASP A 35 -0.655 -5.563 12.400 1.00 0.00 C ATOM 451 OD1 ASP A 35 -1.234 -6.038 11.398 1.00 0.00 O ATOM 452 OD2 ASP A 35 -1.210 -5.141 13.437 1.00 0.00 O ATOM 0 H ASP A 35 2.608 -6.669 10.991 1.00 0.00 H new ATOM 0 HA ASP A 35 0.677 -4.904 10.289 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.271 -6.498 12.499 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.220 -4.886 13.186 1.00 0.00 H new ATOM 456 N GLY A 36 1.357 -2.542 10.691 1.00 0.00 N ATOM 457 CA GLY A 36 1.745 -1.154 10.872 1.00 0.00 C ATOM 458 C GLY A 36 3.109 -0.877 10.235 1.00 0.00 C ATOM 459 O GLY A 36 3.878 -0.060 10.738 1.00 0.00 O ATOM 0 H GLY A 36 0.593 -2.689 10.031 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.993 -0.502 10.428 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.782 -0.919 11.936 1.00 0.00 H new ATOM 463 N GLY A 37 3.366 -1.575 9.138 1.00 0.00 N ATOM 464 CA GLY A 37 4.623 -1.416 8.428 1.00 0.00 C ATOM 465 C GLY A 37 4.825 0.036 7.990 1.00 0.00 C ATOM 466 O GLY A 37 3.931 0.640 7.399 1.00 0.00 O ATOM 0 H GLY A 37 2.725 -2.252 8.724 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.449 -1.724 9.069 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.637 -2.068 7.555 1.00 0.00 H new ATOM 470 N HIS A 38 6.005 0.556 8.295 1.00 0.00 N ATOM 471 CA HIS A 38 6.335 1.925 7.939 1.00 0.00 C ATOM 472 C HIS A 38 7.394 1.927 6.835 1.00 0.00 C ATOM 473 O HIS A 38 8.402 1.230 6.935 1.00 0.00 O ATOM 474 CB HIS A 38 6.766 2.718 9.175 1.00 0.00 C ATOM 475 CG HIS A 38 7.166 4.144 8.881 1.00 0.00 C ATOM 476 ND1 HIS A 38 8.408 4.658 9.212 1.00 0.00 N ATOM 477 CD2 HIS A 38 6.478 5.158 8.282 1.00 0.00 C ATOM 478 CE1 HIS A 38 8.452 5.925 8.827 1.00 0.00 C ATOM 479 NE2 HIS A 38 7.256 6.232 8.251 1.00 0.00 N ATOM 0 H HIS A 38 6.745 0.053 8.785 1.00 0.00 H new ATOM 0 HA HIS A 38 5.450 2.426 7.547 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.948 2.722 9.895 1.00 0.00 H new ATOM 0 HB3 HIS A 38 7.604 2.207 9.648 1.00 0.00 H new ATOM 0 HD2 HIS A 38 5.470 5.097 7.898 1.00 0.00 H new ATOM 0 HE1 HIS A 38 9.289 6.597 8.948 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.001 7.139 7.860 1.00 0.00 H new ATOM 486 N VAL A 39 7.129 2.720 5.807 1.00 0.00 N ATOM 487 CA VAL A 39 8.046 2.823 4.685 1.00 0.00 C ATOM 488 C VAL A 39 7.882 4.191 4.021 1.00 0.00 C ATOM 489 O VAL A 39 7.102 5.021 4.486 1.00 0.00 O ATOM 490 CB VAL A 39 7.822 1.659 3.719 1.00 0.00 C ATOM 491 CG1 VAL A 39 8.162 0.322 4.381 1.00 0.00 C ATOM 492 CG2 VAL A 39 6.389 1.656 3.184 1.00 0.00 C ATOM 0 H VAL A 39 6.292 3.297 5.728 1.00 0.00 H new ATOM 0 HA VAL A 39 9.078 2.750 5.027 1.00 0.00 H new ATOM 0 HB VAL A 39 8.495 1.795 2.872 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.994 -0.488 3.672 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.208 0.324 4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.527 0.177 5.255 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.258 0.818 2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.691 1.559 4.015 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.196 2.590 2.655 1.00 0.00 H new ATOM 502 N GLU A 40 8.628 4.385 2.943 1.00 0.00 N ATOM 503 CA GLU A 40 8.575 5.638 2.210 1.00 0.00 C ATOM 504 C GLU A 40 7.974 5.415 0.822 1.00 0.00 C ATOM 505 O GLU A 40 8.069 4.321 0.268 1.00 0.00 O ATOM 506 CB GLU A 40 9.962 6.275 2.112 1.00 0.00 C ATOM 507 CG GLU A 40 10.918 5.385 1.315 1.00 0.00 C ATOM 508 CD GLU A 40 12.284 6.056 1.151 1.00 0.00 C ATOM 509 OE1 GLU A 40 12.289 7.252 0.787 1.00 0.00 O ATOM 510 OE2 GLU A 40 13.292 5.358 1.394 1.00 0.00 O ATOM 0 H GLU A 40 9.273 3.694 2.560 1.00 0.00 H new ATOM 0 HA GLU A 40 7.933 6.329 2.756 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.885 7.252 1.634 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.362 6.440 3.112 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.038 4.428 1.822 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.492 5.175 0.334 1.00 0.00 H new ATOM 515 N ALA A 41 7.367 6.471 0.299 1.00 0.00 N ATOM 516 CA ALA A 41 6.750 6.404 -1.016 1.00 0.00 C ATOM 517 C ALA A 41 7.741 5.795 -2.010 1.00 0.00 C ATOM 518 O ALA A 41 8.741 6.420 -2.356 1.00 0.00 O ATOM 519 CB ALA A 41 6.289 7.802 -1.435 1.00 0.00 C ATOM 0 H ALA A 41 7.289 7.377 0.761 1.00 0.00 H new ATOM 0 HA ALA A 41 5.869 5.762 -0.994 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.826 7.752 -2.421 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.564 8.178 -0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.147 8.473 -1.470 1.00 0.00 H new ATOM 525 N GLY A 42 7.429 4.581 -2.439 1.00 0.00 N ATOM 526 CA GLY A 42 8.279 3.880 -3.386 1.00 0.00 C ATOM 527 C GLY A 42 8.573 2.456 -2.909 1.00 0.00 C ATOM 528 O GLY A 42 8.740 1.548 -3.722 1.00 0.00 O ATOM 0 H GLY A 42 6.599 4.065 -2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.793 3.848 -4.361 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.214 4.425 -3.513 1.00 0.00 H new ATOM 532 N SER A 43 8.627 2.306 -1.595 1.00 0.00 N ATOM 533 CA SER A 43 8.897 1.008 -1.000 1.00 0.00 C ATOM 534 C SER A 43 7.736 0.051 -1.283 1.00 0.00 C ATOM 535 O SER A 43 6.611 0.487 -1.520 1.00 0.00 O ATOM 536 CB SER A 43 9.129 1.129 0.507 1.00 0.00 C ATOM 537 OG SER A 43 9.447 2.464 0.892 1.00 0.00 O ATOM 0 H SER A 43 8.488 3.062 -0.924 1.00 0.00 H new ATOM 0 HA SER A 43 9.807 0.609 -1.449 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.236 0.801 1.039 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.939 0.463 0.804 1.00 0.00 H new ATOM 0 HG SER A 43 8.621 2.983 0.986 1.00 0.00 H new ATOM 542 N SER A 44 8.050 -1.236 -1.247 1.00 0.00 N ATOM 543 CA SER A 44 7.047 -2.258 -1.497 1.00 0.00 C ATOM 544 C SER A 44 6.526 -2.813 -0.170 1.00 0.00 C ATOM 545 O SER A 44 7.310 -3.154 0.716 1.00 0.00 O ATOM 546 CB SER A 44 7.615 -3.387 -2.359 1.00 0.00 C ATOM 547 OG SER A 44 8.933 -3.755 -1.958 1.00 0.00 O ATOM 0 H SER A 44 8.984 -1.594 -1.049 1.00 0.00 H new ATOM 0 HA SER A 44 6.221 -1.802 -2.043 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.961 -4.256 -2.295 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.628 -3.074 -3.403 1.00 0.00 H new ATOM 0 HG SER A 44 9.259 -4.480 -2.532 1.00 0.00 H new ATOM 552 N TYR A 45 5.207 -2.888 -0.074 1.00 0.00 N ATOM 553 CA TYR A 45 4.572 -3.398 1.129 1.00 0.00 C ATOM 554 C TYR A 45 3.825 -4.702 0.846 1.00 0.00 C ATOM 555 O TYR A 45 3.506 -5.452 1.767 1.00 0.00 O ATOM 556 CB TYR A 45 3.562 -2.329 1.557 1.00 0.00 C ATOM 557 CG TYR A 45 2.260 -2.347 0.755 1.00 0.00 C ATOM 558 CD1 TYR A 45 1.317 -3.327 0.991 1.00 0.00 C ATOM 559 CD2 TYR A 45 2.028 -1.384 -0.207 1.00 0.00 C ATOM 560 CE1 TYR A 45 0.092 -3.343 0.235 1.00 0.00 C ATOM 561 CE2 TYR A 45 0.802 -1.400 -0.961 1.00 0.00 C ATOM 562 CZ TYR A 45 -0.105 -2.379 -0.703 1.00 0.00 C ATOM 563 OH TYR A 45 -1.263 -2.394 -1.417 1.00 0.00 O ATOM 0 H TYR A 45 4.560 -2.604 -0.810 1.00 0.00 H new ATOM 0 HA TYR A 45 5.317 -3.604 1.898 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.328 -2.466 2.613 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.024 -1.347 1.458 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.498 -4.081 1.742 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.767 -0.619 -0.394 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.654 -4.104 0.409 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.607 -0.651 -1.715 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.267 -1.646 -2.050 1.00 0.00 H new ATOM 572 N ALA A 46 3.568 -4.934 -0.433 1.00 0.00 N ATOM 573 CA ALA A 46 2.866 -6.136 -0.850 1.00 0.00 C ATOM 574 C ALA A 46 3.162 -6.409 -2.326 1.00 0.00 C ATOM 575 O ALA A 46 3.820 -5.608 -2.989 1.00 0.00 O ATOM 576 CB ALA A 46 1.369 -5.973 -0.577 1.00 0.00 C ATOM 0 H ALA A 46 3.834 -4.310 -1.195 1.00 0.00 H new ATOM 0 HA ALA A 46 3.210 -6.999 -0.280 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.842 -6.874 -0.890 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.209 -5.810 0.489 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.988 -5.118 -1.136 1.00 0.00 H new ATOM 582 N GLU A 47 2.664 -7.543 -2.797 1.00 0.00 N ATOM 583 CA GLU A 47 2.868 -7.932 -4.182 1.00 0.00 C ATOM 584 C GLU A 47 1.629 -8.651 -4.718 1.00 0.00 C ATOM 585 O GLU A 47 0.641 -8.811 -4.003 1.00 0.00 O ATOM 586 CB GLU A 47 4.116 -8.804 -4.328 1.00 0.00 C ATOM 587 CG GLU A 47 5.337 -8.125 -3.707 1.00 0.00 C ATOM 588 CD GLU A 47 6.634 -8.666 -4.311 1.00 0.00 C ATOM 589 OE1 GLU A 47 6.604 -8.992 -5.518 1.00 0.00 O ATOM 590 OE2 GLU A 47 7.625 -8.742 -3.554 1.00 0.00 O ATOM 0 H GLU A 47 2.120 -8.205 -2.244 1.00 0.00 H new ATOM 0 HA GLU A 47 3.025 -7.030 -4.774 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.948 -9.768 -3.847 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.304 -9.002 -5.383 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.279 -7.048 -3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.339 -8.287 -2.629 1.00 0.00 H new ATOM 595 N MET A 48 1.723 -9.067 -5.974 1.00 0.00 N ATOM 596 CA MET A 48 0.622 -9.765 -6.615 1.00 0.00 C ATOM 597 C MET A 48 1.079 -10.439 -7.910 1.00 0.00 C ATOM 598 O MET A 48 2.202 -10.221 -8.364 1.00 0.00 O ATOM 599 CB MET A 48 -0.502 -8.774 -6.923 1.00 0.00 C ATOM 600 CG MET A 48 -0.010 -7.659 -7.849 1.00 0.00 C ATOM 601 SD MET A 48 -1.108 -7.501 -9.249 1.00 0.00 S ATOM 602 CE MET A 48 -2.551 -6.834 -8.437 1.00 0.00 C ATOM 0 H MET A 48 2.545 -8.934 -6.564 1.00 0.00 H new ATOM 0 HA MET A 48 0.261 -10.536 -5.935 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.336 -9.298 -7.390 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.876 -8.342 -5.995 1.00 0.00 H new ATOM 0 HG2 MET A 48 0.036 -6.716 -7.304 1.00 0.00 H new ATOM 0 HG3 MET A 48 1.001 -7.879 -8.192 1.00 0.00 H new ATOM 0 HE1 MET A 48 -3.437 -7.378 -8.765 1.00 0.00 H new ATOM 0 HE2 MET A 48 -2.441 -6.936 -7.357 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.658 -5.780 -8.693 1.00 0.00 H new ATOM 610 N GLU A 49 0.187 -11.243 -8.468 1.00 0.00 N ATOM 611 CA GLU A 49 0.484 -11.950 -9.702 1.00 0.00 C ATOM 612 C GLU A 49 -0.596 -11.672 -10.748 1.00 0.00 C ATOM 613 O GLU A 49 -1.741 -12.093 -10.589 1.00 0.00 O ATOM 614 CB GLU A 49 0.633 -13.452 -9.453 1.00 0.00 C ATOM 615 CG GLU A 49 0.988 -14.190 -10.744 1.00 0.00 C ATOM 616 CD GLU A 49 1.704 -15.508 -10.444 1.00 0.00 C ATOM 617 OE1 GLU A 49 1.502 -16.021 -9.321 1.00 0.00 O ATOM 618 OE2 GLU A 49 2.438 -15.973 -11.342 1.00 0.00 O ATOM 0 H GLU A 49 -0.743 -11.421 -8.088 1.00 0.00 H new ATOM 0 HA GLU A 49 1.436 -11.583 -10.086 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.408 -13.625 -8.706 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.296 -13.851 -9.046 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.081 -14.387 -11.316 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.625 -13.559 -11.364 1.00 0.00 H new ATOM 623 N VAL A 50 -0.196 -10.963 -11.794 1.00 0.00 N ATOM 624 CA VAL A 50 -1.118 -10.625 -12.865 1.00 0.00 C ATOM 625 C VAL A 50 -0.475 -10.963 -14.212 1.00 0.00 C ATOM 626 O VAL A 50 0.723 -10.754 -14.401 1.00 0.00 O ATOM 627 CB VAL A 50 -1.533 -9.157 -12.752 1.00 0.00 C ATOM 628 CG1 VAL A 50 -0.308 -8.248 -12.624 1.00 0.00 C ATOM 629 CG2 VAL A 50 -2.401 -8.740 -13.941 1.00 0.00 C ATOM 0 H VAL A 50 0.754 -10.614 -11.922 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.031 -11.215 -12.784 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.129 -9.047 -11.846 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.632 -7.210 -12.545 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.256 -8.521 -11.732 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.325 -8.365 -13.503 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.682 -7.692 -13.836 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.840 -8.874 -14.866 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.300 -9.356 -13.969 1.00 0.00 H new ATOM 639 N MET A 51 -1.298 -11.479 -15.111 1.00 0.00 N ATOM 640 CA MET A 51 -0.824 -11.848 -16.435 1.00 0.00 C ATOM 641 C MET A 51 0.300 -12.882 -16.346 1.00 0.00 C ATOM 642 O MET A 51 1.175 -12.929 -17.210 1.00 0.00 O ATOM 643 CB MET A 51 -0.316 -10.602 -17.161 1.00 0.00 C ATOM 644 CG MET A 51 -1.479 -9.710 -17.599 1.00 0.00 C ATOM 645 SD MET A 51 -1.022 -8.779 -19.052 1.00 0.00 S ATOM 646 CE MET A 51 0.088 -7.587 -18.321 1.00 0.00 C ATOM 0 H MET A 51 -2.290 -11.651 -14.950 1.00 0.00 H new ATOM 0 HA MET A 51 -1.654 -12.288 -16.988 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.350 -10.041 -16.505 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.269 -10.897 -18.032 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.357 -10.321 -17.810 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.750 -9.030 -16.792 1.00 0.00 H new ATOM 0 HE1 MET A 51 -0.293 -6.581 -18.495 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.160 -7.767 -17.248 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.075 -7.685 -18.772 1.00 0.00 H new ATOM 654 N LYS A 52 0.241 -13.685 -15.293 1.00 0.00 N ATOM 655 CA LYS A 52 1.243 -14.715 -15.080 1.00 0.00 C ATOM 656 C LYS A 52 2.578 -14.056 -14.726 1.00 0.00 C ATOM 657 O LYS A 52 3.637 -14.655 -14.906 1.00 0.00 O ATOM 658 CB LYS A 52 1.319 -15.647 -16.291 1.00 0.00 C ATOM 659 CG LYS A 52 -0.041 -16.285 -16.579 1.00 0.00 C ATOM 660 CD LYS A 52 -0.104 -17.712 -16.030 1.00 0.00 C ATOM 661 CE LYS A 52 -0.046 -18.739 -17.163 1.00 0.00 C ATOM 662 NZ LYS A 52 1.342 -19.217 -17.357 1.00 0.00 N ATOM 0 H LYS A 52 -0.486 -13.643 -14.578 1.00 0.00 H new ATOM 0 HA LYS A 52 0.966 -15.348 -14.237 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.654 -15.087 -17.164 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.059 -16.426 -16.108 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.831 -15.683 -16.130 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.221 -16.297 -17.654 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.725 -17.877 -15.342 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.023 -17.846 -15.460 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.698 -19.581 -16.932 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.416 -18.293 -18.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.365 -19.913 -18.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.956 -18.413 -17.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.682 -19.661 -16.480 1.00 0.00 H new ATOM 672 N MET A 53 2.484 -12.831 -14.230 1.00 0.00 N ATOM 673 CA MET A 53 3.670 -12.085 -13.850 1.00 0.00 C ATOM 674 C MET A 53 3.523 -11.499 -12.444 1.00 0.00 C ATOM 675 O MET A 53 2.576 -10.762 -12.171 1.00 0.00 O ATOM 676 CB MET A 53 3.906 -10.953 -14.852 1.00 0.00 C ATOM 677 CG MET A 53 3.426 -11.351 -16.250 1.00 0.00 C ATOM 678 SD MET A 53 4.458 -10.588 -17.490 1.00 0.00 S ATOM 679 CE MET A 53 3.204 -9.952 -18.589 1.00 0.00 C ATOM 0 H MET A 53 1.604 -12.337 -14.083 1.00 0.00 H new ATOM 0 HA MET A 53 4.520 -12.767 -13.852 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.380 -10.056 -14.524 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.967 -10.706 -14.884 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.455 -12.435 -16.358 1.00 0.00 H new ATOM 0 HG3 MET A 53 2.389 -11.044 -16.389 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.668 -9.308 -19.336 1.00 0.00 H new ATOM 0 HE2 MET A 53 2.702 -10.782 -19.087 1.00 0.00 H new ATOM 0 HE3 MET A 53 2.476 -9.378 -18.016 1.00 0.00 H new ATOM 687 N ILE A 54 4.471 -11.848 -11.588 1.00 0.00 N ATOM 688 CA ILE A 54 4.459 -11.367 -10.218 1.00 0.00 C ATOM 689 C ILE A 54 4.920 -9.909 -10.190 1.00 0.00 C ATOM 690 O ILE A 54 6.034 -9.597 -10.609 1.00 0.00 O ATOM 691 CB ILE A 54 5.283 -12.289 -9.318 1.00 0.00 C ATOM 692 CG1 ILE A 54 4.614 -13.658 -9.175 1.00 0.00 C ATOM 693 CG2 ILE A 54 5.548 -11.637 -7.959 1.00 0.00 C ATOM 694 CD1 ILE A 54 4.531 -14.371 -10.526 1.00 0.00 C ATOM 0 H ILE A 54 5.254 -12.460 -11.818 1.00 0.00 H new ATOM 0 HA ILE A 54 3.446 -11.390 -9.816 1.00 0.00 H new ATOM 0 HB ILE A 54 6.251 -12.451 -9.792 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.177 -14.270 -8.471 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.613 -13.536 -8.762 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.136 -12.314 -7.339 1.00 0.00 H new ATOM 0 HG22 ILE A 54 6.098 -10.707 -8.103 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.599 -11.425 -7.466 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.052 -15.341 -10.396 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.947 -13.767 -11.221 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.535 -14.513 -10.925 1.00 0.00 H new ATOM 705 N MET A 55 4.038 -9.052 -9.693 1.00 0.00 N ATOM 706 CA MET A 55 4.341 -7.634 -9.606 1.00 0.00 C ATOM 707 C MET A 55 4.327 -7.159 -8.152 1.00 0.00 C ATOM 708 O MET A 55 3.547 -7.654 -7.341 1.00 0.00 O ATOM 709 CB MET A 55 3.311 -6.841 -10.413 1.00 0.00 C ATOM 710 CG MET A 55 3.721 -5.371 -10.532 1.00 0.00 C ATOM 711 SD MET A 55 2.993 -4.652 -11.995 1.00 0.00 S ATOM 712 CE MET A 55 4.467 -4.345 -12.954 1.00 0.00 C ATOM 0 H MET A 55 3.115 -9.313 -9.347 1.00 0.00 H new ATOM 0 HA MET A 55 5.339 -7.469 -10.013 1.00 0.00 H new ATOM 0 HB2 MET A 55 3.210 -7.276 -11.407 1.00 0.00 H new ATOM 0 HB3 MET A 55 2.335 -6.912 -9.933 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.398 -4.822 -9.647 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.807 -5.290 -10.579 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.193 -3.893 -13.907 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.123 -3.668 -12.407 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.986 -5.286 -13.134 1.00 0.00 H new ATOM 720 N THR A 56 5.199 -6.203 -7.866 1.00 0.00 N ATOM 721 CA THR A 56 5.297 -5.656 -6.524 1.00 0.00 C ATOM 722 C THR A 56 4.397 -4.428 -6.382 1.00 0.00 C ATOM 723 O THR A 56 4.136 -3.728 -7.360 1.00 0.00 O ATOM 724 CB THR A 56 6.772 -5.365 -6.238 1.00 0.00 C ATOM 725 OG1 THR A 56 7.445 -6.555 -6.638 1.00 0.00 O ATOM 726 CG2 THR A 56 7.067 -5.254 -4.741 1.00 0.00 C ATOM 0 H THR A 56 5.844 -5.793 -8.541 1.00 0.00 H new ATOM 0 HA THR A 56 4.941 -6.368 -5.780 1.00 0.00 H new ATOM 0 HB THR A 56 7.062 -4.439 -6.734 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.957 -7.336 -6.301 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.127 -5.047 -4.593 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.476 -4.444 -4.313 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.808 -6.191 -4.249 1.00 0.00 H new ATOM 734 N LEU A 57 3.945 -4.202 -5.157 1.00 0.00 N ATOM 735 CA LEU A 57 3.079 -3.070 -4.875 1.00 0.00 C ATOM 736 C LEU A 57 3.788 -2.120 -3.906 1.00 0.00 C ATOM 737 O LEU A 57 4.222 -2.533 -2.832 1.00 0.00 O ATOM 738 CB LEU A 57 1.715 -3.551 -4.376 1.00 0.00 C ATOM 739 CG LEU A 57 0.664 -3.821 -5.455 1.00 0.00 C ATOM 740 CD1 LEU A 57 -0.092 -5.120 -5.172 1.00 0.00 C ATOM 741 CD2 LEU A 57 -0.283 -2.629 -5.608 1.00 0.00 C ATOM 0 H LEU A 57 4.163 -4.784 -4.348 1.00 0.00 H new ATOM 0 HA LEU A 57 2.879 -2.506 -5.786 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.862 -4.466 -3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.318 -2.804 -3.688 1.00 0.00 H new ATOM 0 HG LEU A 57 1.178 -3.949 -6.408 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.833 -5.288 -5.954 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.611 -5.953 -5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.594 -5.046 -4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.020 -2.847 -6.381 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.793 -2.445 -4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.288 -1.744 -5.890 1.00 0.00 H new ATOM 752 N ASN A 58 3.884 -0.866 -4.322 1.00 0.00 N ATOM 753 CA ASN A 58 4.532 0.146 -3.506 1.00 0.00 C ATOM 754 C ASN A 58 3.510 1.217 -3.120 1.00 0.00 C ATOM 755 O ASN A 58 2.431 1.290 -3.709 1.00 0.00 O ATOM 756 CB ASN A 58 5.666 0.828 -4.273 1.00 0.00 C ATOM 757 CG ASN A 58 5.341 0.920 -5.765 1.00 0.00 C ATOM 758 OD1 ASN A 58 4.389 1.558 -6.181 1.00 0.00 O ATOM 759 ND2 ASN A 58 6.185 0.249 -6.544 1.00 0.00 N ATOM 0 H ASN A 58 3.524 -0.528 -5.214 1.00 0.00 H new ATOM 0 HA ASN A 58 4.939 -0.344 -2.621 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.832 1.827 -3.871 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.592 0.270 -4.133 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.055 0.249 -7.556 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.962 -0.265 -6.130 1.00 0.00 H new ATOM 765 N VAL A 59 3.884 2.020 -2.136 1.00 0.00 N ATOM 766 CA VAL A 59 3.013 3.084 -1.666 1.00 0.00 C ATOM 767 C VAL A 59 3.303 4.361 -2.456 1.00 0.00 C ATOM 768 O VAL A 59 4.461 4.714 -2.669 1.00 0.00 O ATOM 769 CB VAL A 59 3.176 3.265 -0.155 1.00 0.00 C ATOM 770 CG1 VAL A 59 2.810 1.982 0.593 1.00 0.00 C ATOM 771 CG2 VAL A 59 4.596 3.716 0.192 1.00 0.00 C ATOM 0 H VAL A 59 4.779 1.956 -1.651 1.00 0.00 H new ATOM 0 HA VAL A 59 1.968 2.826 -1.838 1.00 0.00 H new ATOM 0 HB VAL A 59 2.488 4.047 0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.934 2.138 1.665 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.773 1.721 0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.462 1.172 0.266 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.686 3.837 1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.310 2.966 -0.149 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.806 4.666 -0.299 1.00 0.00 H new ATOM 781 N GLN A 60 2.230 5.020 -2.869 1.00 0.00 N ATOM 782 CA GLN A 60 2.355 6.252 -3.630 1.00 0.00 C ATOM 783 C GLN A 60 2.843 7.386 -2.728 1.00 0.00 C ATOM 784 O GLN A 60 3.526 8.300 -3.189 1.00 0.00 O ATOM 785 CB GLN A 60 1.030 6.616 -4.302 1.00 0.00 C ATOM 786 CG GLN A 60 0.929 5.989 -5.694 1.00 0.00 C ATOM 787 CD GLN A 60 0.832 7.066 -6.776 1.00 0.00 C ATOM 788 OE1 GLN A 60 0.159 8.073 -6.628 1.00 0.00 O ATOM 789 NE2 GLN A 60 1.539 6.798 -7.871 1.00 0.00 N ATOM 0 H GLN A 60 1.270 4.724 -2.691 1.00 0.00 H new ATOM 0 HA GLN A 60 3.094 6.098 -4.417 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.199 6.274 -3.684 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.944 7.700 -4.381 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.801 5.361 -5.878 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.054 5.341 -5.742 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.081 5.936 -7.930 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.539 7.455 -8.652 1.00 0.00 H new ATOM 796 N GLU A 61 2.475 7.291 -1.459 1.00 0.00 N ATOM 797 CA GLU A 61 2.866 8.299 -0.488 1.00 0.00 C ATOM 798 C GLU A 61 3.205 7.642 0.852 1.00 0.00 C ATOM 799 O GLU A 61 2.392 6.907 1.408 1.00 0.00 O ATOM 800 CB GLU A 61 1.772 9.355 -0.321 1.00 0.00 C ATOM 801 CG GLU A 61 1.234 9.807 -1.680 1.00 0.00 C ATOM 802 CD GLU A 61 2.208 10.771 -2.362 1.00 0.00 C ATOM 803 OE1 GLU A 61 3.427 10.518 -2.251 1.00 0.00 O ATOM 804 OE2 GLU A 61 1.710 11.739 -2.978 1.00 0.00 O ATOM 0 H GLU A 61 1.910 6.531 -1.080 1.00 0.00 H new ATOM 0 HA GLU A 61 3.758 8.805 -0.858 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.958 8.949 0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.170 10.213 0.220 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.070 8.938 -2.318 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.267 10.293 -1.549 1.00 0.00 H new ATOM 809 N ARG A 62 4.406 7.933 1.329 1.00 0.00 N ATOM 810 CA ARG A 62 4.862 7.379 2.594 1.00 0.00 C ATOM 811 C ARG A 62 3.697 7.282 3.581 1.00 0.00 C ATOM 812 O ARG A 62 2.757 8.072 3.517 1.00 0.00 O ATOM 813 CB ARG A 62 5.969 8.240 3.205 1.00 0.00 C ATOM 814 CG ARG A 62 5.508 9.688 3.374 1.00 0.00 C ATOM 815 CD ARG A 62 6.607 10.667 2.955 1.00 0.00 C ATOM 816 NE ARG A 62 6.076 12.049 2.941 1.00 0.00 N ATOM 817 CZ ARG A 62 6.840 13.147 3.018 1.00 0.00 C ATOM 818 NH1 ARG A 62 8.171 13.032 3.115 1.00 0.00 N ATOM 819 NH2 ARG A 62 6.272 14.361 2.997 1.00 0.00 N ATOM 0 H ARG A 62 5.077 8.544 0.864 1.00 0.00 H new ATOM 0 HA ARG A 62 5.259 6.383 2.396 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.259 7.832 4.173 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.853 8.208 2.568 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.614 9.861 2.774 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.234 9.867 4.414 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.448 10.599 3.645 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.983 10.403 1.967 1.00 0.00 H new ATOM 0 HE ARG A 62 5.066 12.173 2.868 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.603 12.108 3.130 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.752 13.868 3.174 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.259 14.449 2.922 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.853 15.197 3.056 1.00 0.00 H new ATOM 830 N GLY A 63 3.798 6.307 4.472 1.00 0.00 N ATOM 831 CA GLY A 63 2.765 6.098 5.472 1.00 0.00 C ATOM 832 C GLY A 63 2.971 4.770 6.205 1.00 0.00 C ATOM 833 O GLY A 63 4.103 4.308 6.353 1.00 0.00 O ATOM 0 H GLY A 63 4.579 5.653 4.522 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.777 6.919 6.189 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.785 6.106 4.995 1.00 0.00 H new ATOM 837 N ARG A 64 1.862 4.193 6.643 1.00 0.00 N ATOM 838 CA ARG A 64 1.907 2.928 7.356 1.00 0.00 C ATOM 839 C ARG A 64 0.951 1.922 6.713 1.00 0.00 C ATOM 840 O ARG A 64 -0.255 2.162 6.644 1.00 0.00 O ATOM 841 CB ARG A 64 1.532 3.111 8.827 1.00 0.00 C ATOM 842 CG ARG A 64 2.767 3.016 9.725 1.00 0.00 C ATOM 843 CD ARG A 64 2.637 3.941 10.937 1.00 0.00 C ATOM 844 NE ARG A 64 3.979 4.340 11.416 1.00 0.00 N ATOM 845 CZ ARG A 64 4.236 4.768 12.659 1.00 0.00 C ATOM 846 NH1 ARG A 64 3.244 4.856 13.557 1.00 0.00 N ATOM 847 NH2 ARG A 64 5.484 5.110 13.006 1.00 0.00 N ATOM 0 H ARG A 64 0.926 4.579 6.518 1.00 0.00 H new ATOM 0 HA ARG A 64 2.928 2.551 7.298 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.051 4.079 8.965 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.807 2.351 9.118 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.899 1.987 10.061 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.657 3.281 9.154 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.060 4.826 10.669 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.093 3.435 11.734 1.00 0.00 H new ATOM 0 HE ARG A 64 4.757 4.286 10.759 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.293 4.597 13.294 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.440 5.182 14.503 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.239 5.045 12.323 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.679 5.436 13.953 1.00 0.00 H new ATOM 858 N VAL A 65 1.522 0.817 6.259 1.00 0.00 N ATOM 859 CA VAL A 65 0.734 -0.227 5.624 1.00 0.00 C ATOM 860 C VAL A 65 0.203 -1.181 6.696 1.00 0.00 C ATOM 861 O VAL A 65 0.906 -1.499 7.653 1.00 0.00 O ATOM 862 CB VAL A 65 1.568 -0.934 4.553 1.00 0.00 C ATOM 863 CG1 VAL A 65 0.738 -1.990 3.821 1.00 0.00 C ATOM 864 CG2 VAL A 65 2.165 0.074 3.569 1.00 0.00 C ATOM 0 H VAL A 65 2.521 0.621 6.318 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.129 0.201 5.114 1.00 0.00 H new ATOM 0 HB VAL A 65 2.393 -1.443 5.052 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.354 -2.477 3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.384 -2.733 4.535 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.116 -1.513 3.340 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.753 -0.455 2.819 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.361 0.624 3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.807 0.772 4.107 1.00 0.00 H new ATOM 874 N LYS A 66 -1.034 -1.613 6.497 1.00 0.00 N ATOM 875 CA LYS A 66 -1.668 -2.525 7.434 1.00 0.00 C ATOM 876 C LYS A 66 -2.464 -3.576 6.657 1.00 0.00 C ATOM 877 O LYS A 66 -2.769 -3.383 5.481 1.00 0.00 O ATOM 878 CB LYS A 66 -2.504 -1.750 8.453 1.00 0.00 C ATOM 879 CG LYS A 66 -2.904 -2.644 9.628 1.00 0.00 C ATOM 880 CD LYS A 66 -2.976 -1.841 10.929 1.00 0.00 C ATOM 881 CE LYS A 66 -4.106 -2.352 11.826 1.00 0.00 C ATOM 882 NZ LYS A 66 -4.544 -1.291 12.762 1.00 0.00 N ATOM 0 H LYS A 66 -1.614 -1.348 5.701 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.915 -3.059 8.014 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.936 -0.895 8.819 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.398 -1.356 7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.871 -3.104 9.427 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.182 -3.454 9.736 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.026 -1.913 11.458 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.135 -0.787 10.702 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.948 -2.675 11.213 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.768 -3.223 12.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.311 -1.654 13.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.743 -1.002 13.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.886 -0.471 12.222 1.00 0.00 H new ATOM 892 N TYR A 67 -2.777 -4.663 7.346 1.00 0.00 N ATOM 893 CA TYR A 67 -3.532 -5.744 6.735 1.00 0.00 C ATOM 894 C TYR A 67 -5.031 -5.439 6.744 1.00 0.00 C ATOM 895 O TYR A 67 -5.581 -5.045 7.771 1.00 0.00 O ATOM 896 CB TYR A 67 -3.269 -6.980 7.597 1.00 0.00 C ATOM 897 CG TYR A 67 -4.467 -7.925 7.711 1.00 0.00 C ATOM 898 CD1 TYR A 67 -4.920 -8.604 6.599 1.00 0.00 C ATOM 899 CD2 TYR A 67 -5.095 -8.097 8.928 1.00 0.00 C ATOM 900 CE1 TYR A 67 -6.047 -9.494 6.707 1.00 0.00 C ATOM 901 CE2 TYR A 67 -6.223 -8.986 9.036 1.00 0.00 C ATOM 902 CZ TYR A 67 -6.643 -9.640 7.920 1.00 0.00 C ATOM 903 OH TYR A 67 -7.709 -10.480 8.022 1.00 0.00 O ATOM 0 H TYR A 67 -2.522 -4.819 8.321 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.230 -5.886 5.697 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.425 -7.529 7.179 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.977 -6.658 8.596 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.429 -8.468 5.647 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.741 -7.565 9.799 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.410 -10.033 5.844 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.724 -9.130 9.982 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.033 -10.487 8.947 1.00 0.00 H new ATOM 912 N ILE A 68 -5.649 -5.635 5.589 1.00 0.00 N ATOM 913 CA ILE A 68 -7.074 -5.387 5.451 1.00 0.00 C ATOM 914 C ILE A 68 -7.719 -6.550 4.695 1.00 0.00 C ATOM 915 O ILE A 68 -8.755 -7.067 5.111 1.00 0.00 O ATOM 916 CB ILE A 68 -7.319 -4.022 4.804 1.00 0.00 C ATOM 917 CG1 ILE A 68 -6.981 -2.887 5.774 1.00 0.00 C ATOM 918 CG2 ILE A 68 -8.750 -3.915 4.275 1.00 0.00 C ATOM 919 CD1 ILE A 68 -7.879 -1.673 5.531 1.00 0.00 C ATOM 0 H ILE A 68 -5.189 -5.963 4.740 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.550 -5.341 6.431 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.651 -3.925 3.948 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.101 -3.233 6.801 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.936 -2.601 5.655 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.898 -2.935 3.820 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -8.921 -4.691 3.529 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.453 -4.042 5.098 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.618 -0.881 6.233 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.738 -1.315 4.511 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.921 -1.957 5.675 1.00 0.00 H new ATOM 930 N LYS A 69 -7.081 -6.927 3.597 1.00 0.00 N ATOM 931 CA LYS A 69 -7.579 -8.021 2.780 1.00 0.00 C ATOM 932 C LYS A 69 -6.678 -9.243 2.964 1.00 0.00 C ATOM 933 O LYS A 69 -5.472 -9.169 2.734 1.00 0.00 O ATOM 934 CB LYS A 69 -7.724 -7.577 1.323 1.00 0.00 C ATOM 935 CG LYS A 69 -8.486 -6.253 1.226 1.00 0.00 C ATOM 936 CD LYS A 69 -9.985 -6.465 1.445 1.00 0.00 C ATOM 937 CE LYS A 69 -10.662 -6.960 0.166 1.00 0.00 C ATOM 938 NZ LYS A 69 -11.966 -7.586 0.478 1.00 0.00 N ATOM 0 H LYS A 69 -6.223 -6.494 3.254 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.579 -8.312 3.102 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.737 -7.467 0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.249 -8.345 0.756 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.102 -5.553 1.968 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.318 -5.804 0.247 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.140 -7.188 2.246 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.445 -5.530 1.766 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.807 -6.127 -0.521 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.018 -7.680 -0.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.412 -7.916 -0.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.819 -8.394 1.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.585 -6.888 0.939 1.00 0.00 H new ATOM 948 N ARG A 70 -7.298 -10.338 3.378 1.00 0.00 N ATOM 949 CA ARG A 70 -6.565 -11.574 3.595 1.00 0.00 C ATOM 950 C ARG A 70 -5.771 -11.949 2.343 1.00 0.00 C ATOM 951 O ARG A 70 -6.212 -11.692 1.224 1.00 0.00 O ATOM 952 CB ARG A 70 -7.515 -12.721 3.951 1.00 0.00 C ATOM 953 CG ARG A 70 -7.565 -12.941 5.465 1.00 0.00 C ATOM 954 CD ARG A 70 -7.254 -14.397 5.817 1.00 0.00 C ATOM 955 NE ARG A 70 -8.204 -14.884 6.841 1.00 0.00 N ATOM 956 CZ ARG A 70 -8.259 -16.152 7.273 1.00 0.00 C ATOM 957 NH1 ARG A 70 -7.418 -17.067 6.773 1.00 0.00 N ATOM 958 NH2 ARG A 70 -9.154 -16.503 8.206 1.00 0.00 N ATOM 0 H ARG A 70 -8.298 -10.395 3.569 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.880 -11.411 4.427 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.515 -12.499 3.579 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.187 -13.636 3.457 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.848 -12.283 5.956 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.552 -12.675 5.843 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.320 -15.018 4.923 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.232 -14.480 6.188 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.858 -14.213 7.244 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.736 -16.799 6.064 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.460 -18.032 7.102 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.793 -15.806 8.587 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.196 -17.468 8.535 1.00 0.00 H new ATOM 969 N PRO A 71 -4.582 -12.564 2.579 1.00 0.00 N ATOM 970 CA PRO A 71 -3.721 -12.977 1.484 1.00 0.00 C ATOM 971 C PRO A 71 -4.271 -14.227 0.795 1.00 0.00 C ATOM 972 O PRO A 71 -4.589 -15.215 1.455 1.00 0.00 O ATOM 973 CB PRO A 71 -2.357 -13.199 2.116 1.00 0.00 C ATOM 974 CG PRO A 71 -2.610 -13.354 3.607 1.00 0.00 C ATOM 975 CD PRO A 71 -4.027 -12.884 3.892 1.00 0.00 C ATOM 0 HA PRO A 71 -3.661 -12.230 0.693 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.877 -14.088 1.707 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.693 -12.358 1.918 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.485 -14.394 3.909 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.891 -12.767 4.179 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.609 -13.660 4.390 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.031 -12.013 4.547 1.00 0.00 H new ATOM 980 N GLY A 72 -4.368 -14.144 -0.524 1.00 0.00 N ATOM 981 CA GLY A 72 -4.875 -15.256 -1.310 1.00 0.00 C ATOM 982 C GLY A 72 -6.132 -14.854 -2.084 1.00 0.00 C ATOM 983 O GLY A 72 -6.702 -15.664 -2.812 1.00 0.00 O ATOM 0 H GLY A 72 -4.104 -13.323 -1.068 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.107 -15.593 -2.006 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.101 -16.096 -0.654 1.00 0.00 H new ATOM 987 N ALA A 73 -6.526 -13.603 -1.899 1.00 0.00 N ATOM 988 CA ALA A 73 -7.705 -13.083 -2.571 1.00 0.00 C ATOM 989 C ALA A 73 -7.331 -12.660 -3.993 1.00 0.00 C ATOM 990 O ALA A 73 -6.157 -12.458 -4.295 1.00 0.00 O ATOM 991 CB ALA A 73 -8.291 -11.930 -1.754 1.00 0.00 C ATOM 0 H ALA A 73 -6.050 -12.934 -1.294 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.474 -13.852 -2.648 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.175 -11.540 -2.258 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.567 -12.290 -0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.549 -11.138 -1.658 1.00 0.00 H new ATOM 997 N VAL A 74 -8.353 -12.537 -4.827 1.00 0.00 N ATOM 998 CA VAL A 74 -8.147 -12.141 -6.210 1.00 0.00 C ATOM 999 C VAL A 74 -8.130 -10.614 -6.302 1.00 0.00 C ATOM 1000 O VAL A 74 -9.031 -9.949 -5.796 1.00 0.00 O ATOM 1001 CB VAL A 74 -9.212 -12.782 -7.102 1.00 0.00 C ATOM 1002 CG1 VAL A 74 -10.546 -12.042 -6.981 1.00 0.00 C ATOM 1003 CG2 VAL A 74 -8.746 -12.838 -8.559 1.00 0.00 C ATOM 0 H VAL A 74 -9.326 -12.705 -4.572 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.182 -12.499 -6.570 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.364 -13.806 -6.760 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.286 -12.518 -7.625 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.889 -12.077 -5.947 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.415 -11.003 -7.285 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.521 -13.298 -9.172 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.552 -11.827 -8.918 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.832 -13.429 -8.626 1.00 0.00 H new ATOM 1013 N LEU A 75 -7.094 -10.104 -6.951 1.00 0.00 N ATOM 1014 CA LEU A 75 -6.947 -8.668 -7.116 1.00 0.00 C ATOM 1015 C LEU A 75 -7.754 -8.213 -8.333 1.00 0.00 C ATOM 1016 O LEU A 75 -7.579 -8.740 -9.431 1.00 0.00 O ATOM 1017 CB LEU A 75 -5.467 -8.284 -7.181 1.00 0.00 C ATOM 1018 CG LEU A 75 -4.909 -7.554 -5.957 1.00 0.00 C ATOM 1019 CD1 LEU A 75 -5.104 -6.042 -6.085 1.00 0.00 C ATOM 1020 CD2 LEU A 75 -5.518 -8.103 -4.666 1.00 0.00 C ATOM 0 H LEU A 75 -6.348 -10.660 -7.369 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.351 -8.143 -6.251 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.883 -9.191 -7.336 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.314 -7.653 -8.057 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.836 -7.738 -5.910 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.699 -5.547 -5.202 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.585 -5.682 -6.973 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.167 -5.818 -6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.104 -7.567 -3.812 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.600 -7.970 -4.689 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.285 -9.164 -4.576 1.00 0.00 H new ATOM 1031 N GLU A 76 -8.622 -7.239 -8.098 1.00 0.00 N ATOM 1032 CA GLU A 76 -9.456 -6.708 -9.162 1.00 0.00 C ATOM 1033 C GLU A 76 -9.224 -5.204 -9.318 1.00 0.00 C ATOM 1034 O GLU A 76 -8.886 -4.520 -8.352 1.00 0.00 O ATOM 1035 CB GLU A 76 -10.933 -7.011 -8.903 1.00 0.00 C ATOM 1036 CG GLU A 76 -11.611 -7.554 -10.163 1.00 0.00 C ATOM 1037 CD GLU A 76 -13.074 -7.113 -10.233 1.00 0.00 C ATOM 1038 OE1 GLU A 76 -13.772 -7.295 -9.212 1.00 0.00 O ATOM 1039 OE2 GLU A 76 -13.462 -6.602 -11.305 1.00 0.00 O ATOM 0 H GLU A 76 -8.765 -6.804 -7.186 1.00 0.00 H new ATOM 0 HA GLU A 76 -9.177 -7.197 -10.095 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.023 -7.738 -8.096 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.442 -6.105 -8.574 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.079 -7.202 -11.047 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.555 -8.643 -10.170 1.00 0.00 H new ATOM 1044 N ALA A 77 -9.416 -4.731 -10.541 1.00 0.00 N ATOM 1045 CA ALA A 77 -9.231 -3.321 -10.835 1.00 0.00 C ATOM 1046 C ALA A 77 -10.276 -2.504 -10.072 1.00 0.00 C ATOM 1047 O ALA A 77 -11.471 -2.782 -10.159 1.00 0.00 O ATOM 1048 CB ALA A 77 -9.310 -3.100 -12.347 1.00 0.00 C ATOM 0 H ALA A 77 -9.698 -5.300 -11.339 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.247 -2.987 -10.507 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.171 -2.042 -12.568 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.530 -3.679 -12.841 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.286 -3.422 -12.711 1.00 0.00 H new ATOM 1054 N GLY A 78 -9.788 -1.513 -9.342 1.00 0.00 N ATOM 1055 CA GLY A 78 -10.664 -0.654 -8.564 1.00 0.00 C ATOM 1056 C GLY A 78 -11.181 -1.380 -7.320 1.00 0.00 C ATOM 1057 O GLY A 78 -12.388 -1.446 -7.093 1.00 0.00 O ATOM 0 H GLY A 78 -8.796 -1.285 -9.273 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.126 0.246 -8.267 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -11.505 -0.334 -9.179 1.00 0.00 H new ATOM 1061 N CYS A 79 -10.242 -1.906 -6.548 1.00 0.00 N ATOM 1062 CA CYS A 79 -10.588 -2.626 -5.334 1.00 0.00 C ATOM 1063 C CYS A 79 -9.656 -2.155 -4.215 1.00 0.00 C ATOM 1064 O CYS A 79 -8.728 -1.385 -4.458 1.00 0.00 O ATOM 1065 CB CYS A 79 -10.519 -4.141 -5.534 1.00 0.00 C ATOM 1066 SG CYS A 79 -12.182 -4.796 -5.924 1.00 0.00 S ATOM 0 H CYS A 79 -9.242 -1.848 -6.739 1.00 0.00 H new ATOM 0 HA CYS A 79 -11.621 -2.409 -5.062 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.827 -4.378 -6.342 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.133 -4.618 -4.633 1.00 0.00 H new ATOM 0 HG CYS A 79 -12.113 -6.083 -6.094 1.00 0.00 H new ATOM 1071 N VAL A 80 -9.934 -2.640 -3.014 1.00 0.00 N ATOM 1072 CA VAL A 80 -9.132 -2.279 -1.858 1.00 0.00 C ATOM 1073 C VAL A 80 -8.174 -3.425 -1.528 1.00 0.00 C ATOM 1074 O VAL A 80 -8.481 -4.589 -1.785 1.00 0.00 O ATOM 1075 CB VAL A 80 -10.042 -1.904 -0.686 1.00 0.00 C ATOM 1076 CG1 VAL A 80 -10.661 -3.152 -0.051 1.00 0.00 C ATOM 1077 CG2 VAL A 80 -9.285 -1.078 0.355 1.00 0.00 C ATOM 0 H VAL A 80 -10.703 -3.280 -2.817 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.524 -1.400 -2.075 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.853 -1.289 -1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -11.303 -2.858 0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.252 -3.684 -0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.869 -3.804 0.317 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -9.955 -0.825 1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.444 -1.657 0.738 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.915 -0.162 -0.106 1.00 0.00 H new ATOM 1087 N VAL A 81 -7.034 -3.057 -0.963 1.00 0.00 N ATOM 1088 CA VAL A 81 -6.030 -4.041 -0.595 1.00 0.00 C ATOM 1089 C VAL A 81 -5.607 -3.814 0.858 1.00 0.00 C ATOM 1090 O VAL A 81 -5.822 -4.672 1.712 1.00 0.00 O ATOM 1091 CB VAL A 81 -4.856 -3.983 -1.575 1.00 0.00 C ATOM 1092 CG1 VAL A 81 -3.918 -5.175 -1.379 1.00 0.00 C ATOM 1093 CG2 VAL A 81 -5.353 -3.909 -3.021 1.00 0.00 C ATOM 0 H VAL A 81 -6.783 -2.091 -0.751 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.441 -5.048 -0.660 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.291 -3.075 -1.367 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.093 -5.109 -2.088 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.525 -5.165 -0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.467 -6.102 -1.547 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.499 -3.869 -3.698 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.952 -4.791 -3.245 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.962 -3.014 -3.151 1.00 0.00 H new ATOM 1103 N ALA A 82 -5.012 -2.653 1.093 1.00 0.00 N ATOM 1104 CA ALA A 82 -4.557 -2.302 2.427 1.00 0.00 C ATOM 1105 C ALA A 82 -4.831 -0.818 2.681 1.00 0.00 C ATOM 1106 O ALA A 82 -5.403 -0.135 1.832 1.00 0.00 O ATOM 1107 CB ALA A 82 -3.076 -2.653 2.571 1.00 0.00 C ATOM 0 H ALA A 82 -4.835 -1.944 0.382 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.102 -2.872 3.180 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.735 -2.389 3.572 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.938 -3.722 2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.497 -2.098 1.833 1.00 0.00 H new ATOM 1113 N ARG A 83 -4.411 -0.364 3.852 1.00 0.00 N ATOM 1114 CA ARG A 83 -4.604 1.027 4.228 1.00 0.00 C ATOM 1115 C ARG A 83 -3.253 1.712 4.441 1.00 0.00 C ATOM 1116 O ARG A 83 -2.301 1.083 4.902 1.00 0.00 O ATOM 1117 CB ARG A 83 -5.434 1.141 5.508 1.00 0.00 C ATOM 1118 CG ARG A 83 -5.289 2.530 6.134 1.00 0.00 C ATOM 1119 CD ARG A 83 -5.819 3.613 5.191 1.00 0.00 C ATOM 1120 NE ARG A 83 -7.092 4.158 5.712 1.00 0.00 N ATOM 1121 CZ ARG A 83 -7.905 4.964 5.016 1.00 0.00 C ATOM 1122 NH1 ARG A 83 -7.581 5.325 3.765 1.00 0.00 N ATOM 1123 NH2 ARG A 83 -9.041 5.412 5.569 1.00 0.00 N ATOM 0 H ARG A 83 -3.938 -0.934 4.553 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.140 1.519 3.416 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.483 0.947 5.284 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.115 0.381 6.222 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.833 2.566 7.078 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.241 2.723 6.363 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.085 4.412 5.093 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.972 3.197 4.195 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.368 3.904 6.661 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.716 4.986 3.344 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.200 5.939 3.235 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.287 5.139 6.521 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.659 6.026 5.038 1.00 0.00 H new ATOM 1134 N LEU A 84 -3.213 2.990 4.097 1.00 0.00 N ATOM 1135 CA LEU A 84 -1.993 3.767 4.245 1.00 0.00 C ATOM 1136 C LEU A 84 -2.196 4.824 5.334 1.00 0.00 C ATOM 1137 O LEU A 84 -2.919 5.798 5.130 1.00 0.00 O ATOM 1138 CB LEU A 84 -1.560 4.347 2.898 1.00 0.00 C ATOM 1139 CG LEU A 84 -0.123 4.867 2.822 1.00 0.00 C ATOM 1140 CD1 LEU A 84 -0.032 6.303 3.345 1.00 0.00 C ATOM 1141 CD2 LEU A 84 0.839 3.929 3.553 1.00 0.00 C ATOM 0 H LEU A 84 -4.005 3.508 3.716 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.171 3.128 4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.688 3.578 2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.235 5.164 2.643 1.00 0.00 H new ATOM 0 HG LEU A 84 0.179 4.885 1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.000 6.649 3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.670 6.950 2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.360 6.333 4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.853 4.322 3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.549 3.855 4.601 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.801 2.940 3.096 1.00 0.00 H new ATOM 1152 N GLU A 85 -1.545 4.596 6.465 1.00 0.00 N ATOM 1153 CA GLU A 85 -1.646 5.516 7.584 1.00 0.00 C ATOM 1154 C GLU A 85 -0.536 6.567 7.508 1.00 0.00 C ATOM 1155 O GLU A 85 0.574 6.339 7.987 1.00 0.00 O ATOM 1156 CB GLU A 85 -1.599 4.766 8.916 1.00 0.00 C ATOM 1157 CG GLU A 85 -2.901 4.954 9.697 1.00 0.00 C ATOM 1158 CD GLU A 85 -2.945 6.329 10.368 1.00 0.00 C ATOM 1159 OE1 GLU A 85 -2.147 6.525 11.311 1.00 0.00 O ATOM 1160 OE2 GLU A 85 -3.773 7.152 9.922 1.00 0.00 O ATOM 0 H GLU A 85 -0.946 3.787 6.630 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.608 6.025 7.525 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.430 3.705 8.734 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.759 5.125 9.510 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -3.752 4.847 9.024 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.992 4.174 10.453 1.00 0.00 H new