USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 398 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 44 CYS SG : rot 150:sc= 1.47 USER MOD Set 1.2: A 47 CYS SG : rot -59:sc= 0.235 USER MOD Set 1.3: A 65 CYS SG : rot -131:sc= -3.85! USER MOD Set 1.4: A 68 CYS SG : rot 149:sc= 0.858 USER MOD Set 2.1: A 18 CYS SG : rot 20:sc= -1.53! USER MOD Set 2.2: A 21 CYS SG : rot 180:sc= 0.0721 USER MOD Set 2.3: A 38 HIS : no HD1:sc= -3.42! C(o=-6!,f=-9.7!) USER MOD Set 2.4: A 41 CYS SG : rot -164:sc= -1.12 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 168:sc= -0.0521 (180deg=-0.29) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -1:sc= -0.22! USER MOD Single : A 32 TYR OH : rot 180:sc= -0.325 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 45 THR OG1 : rot 68:sc= 0.0953 USER MOD Single : A 48 GLN :FLIP amide:sc= -0.229 F(o=-0.9,f=-0.23) USER MOD Single : A 49 THR OG1 : rot 81:sc= -0.97 USER MOD Single : A 54 GLN : amide:sc= -0.0957 X(o=-0.096,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0657 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N PRO A 16 3.877 11.525 -2.399 1.00 0.00 N ATOM 194 CA PRO A 16 2.935 10.725 -1.611 1.00 0.00 C ATOM 195 C PRO A 16 3.600 10.063 -0.409 1.00 0.00 C ATOM 196 O PRO A 16 4.817 10.141 -0.241 1.00 0.00 O ATOM 197 CB PRO A 16 2.451 9.666 -2.605 1.00 0.00 C ATOM 198 CG PRO A 16 3.554 9.547 -3.599 1.00 0.00 C ATOM 199 CD PRO A 16 4.160 10.919 -3.711 1.00 0.00 C ATOM 0 HA PRO A 16 2.134 11.334 -1.192 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.261 8.714 -2.108 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.519 9.968 -3.082 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.296 8.818 -3.273 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.176 9.208 -4.563 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.231 10.870 -3.909 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.712 11.491 -4.523 1.00 0.00 H new ATOM 207 N ARG A 17 2.795 9.411 0.423 1.00 0.00 N ATOM 208 CA ARG A 17 3.306 8.736 1.610 1.00 0.00 C ATOM 209 C ARG A 17 2.490 7.485 1.918 1.00 0.00 C ATOM 210 O ARG A 17 1.265 7.483 1.793 1.00 0.00 O ATOM 211 CB ARG A 17 3.281 9.683 2.812 1.00 0.00 C ATOM 212 CG ARG A 17 4.068 10.965 2.594 1.00 0.00 C ATOM 213 CD ARG A 17 4.282 11.716 3.898 1.00 0.00 C ATOM 214 NE ARG A 17 4.824 13.054 3.677 1.00 0.00 N ATOM 215 CZ ARG A 17 4.956 13.962 4.638 1.00 0.00 C ATOM 216 NH1 ARG A 17 4.587 13.676 5.879 1.00 0.00 N ATOM 217 NH2 ARG A 17 5.458 15.158 4.359 1.00 0.00 N ATOM 0 H ARG A 17 1.786 9.336 0.297 1.00 0.00 H new ATOM 0 HA ARG A 17 4.336 8.438 1.412 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.246 9.937 3.042 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.683 9.163 3.682 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.033 10.729 2.146 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.537 11.604 1.888 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.335 11.792 4.432 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.962 11.150 4.535 1.00 0.00 H new ATOM 0 HE ARG A 17 5.117 13.305 2.733 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.201 12.757 6.097 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.689 14.374 6.615 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.743 15.382 3.406 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.559 15.854 5.098 1.00 0.00 H new ATOM 231 N CYS A 18 3.177 6.421 2.320 1.00 0.00 N ATOM 232 CA CYS A 18 2.518 5.162 2.645 1.00 0.00 C ATOM 233 C CYS A 18 1.249 5.406 3.458 1.00 0.00 C ATOM 234 O CYS A 18 1.285 6.055 4.503 1.00 0.00 O ATOM 235 CB CYS A 18 3.468 4.250 3.424 1.00 0.00 C ATOM 236 SG CYS A 18 2.784 2.602 3.790 1.00 0.00 S ATOM 0 H CYS A 18 4.191 6.406 2.429 1.00 0.00 H new ATOM 0 HA CYS A 18 2.242 4.674 1.710 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.389 4.131 2.854 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.735 4.737 4.362 1.00 0.00 H new ATOM 0 HG CYS A 18 1.799 2.351 2.979 1.00 0.00 H new ATOM 241 N ALA A 19 0.130 4.882 2.969 1.00 0.00 N ATOM 242 CA ALA A 19 -1.149 5.040 3.651 1.00 0.00 C ATOM 243 C ALA A 19 -1.128 4.371 5.021 1.00 0.00 C ATOM 244 O ALA A 19 -1.987 4.632 5.863 1.00 0.00 O ATOM 245 CB ALA A 19 -2.274 4.471 2.800 1.00 0.00 C ATOM 0 H ALA A 19 0.083 4.345 2.103 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.324 6.105 3.800 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.223 4.596 3.321 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.312 4.998 1.847 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.095 3.411 2.621 1.00 0.00 H new ATOM 251 N ARG A 20 -0.142 3.506 5.236 1.00 0.00 N ATOM 252 CA ARG A 20 -0.011 2.797 6.504 1.00 0.00 C ATOM 253 C ARG A 20 0.847 3.592 7.484 1.00 0.00 C ATOM 254 O ARG A 20 0.401 3.932 8.581 1.00 0.00 O ATOM 255 CB ARG A 20 0.602 1.414 6.278 1.00 0.00 C ATOM 256 CG ARG A 20 0.914 0.669 7.566 1.00 0.00 C ATOM 257 CD ARG A 20 -0.355 0.316 8.326 1.00 0.00 C ATOM 258 NE ARG A 20 -0.065 -0.257 9.638 1.00 0.00 N ATOM 259 CZ ARG A 20 0.397 0.450 10.663 1.00 0.00 C ATOM 260 NH1 ARG A 20 0.620 1.750 10.529 1.00 0.00 N ATOM 261 NH2 ARG A 20 0.637 -0.143 11.826 1.00 0.00 N ATOM 0 H ARG A 20 0.577 3.279 4.549 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.007 2.680 6.931 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.084 0.815 5.679 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.519 1.522 5.699 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.467 -0.242 7.336 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.558 1.283 8.196 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.965 1.211 8.448 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.942 -0.393 7.742 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.226 -1.255 9.774 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.437 2.210 9.637 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.975 2.291 11.318 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.467 -1.143 11.933 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.992 0.401 12.612 1.00 0.00 H new ATOM 275 N CYS A 21 2.079 3.883 7.083 1.00 0.00 N ATOM 276 CA CYS A 21 3.001 4.636 7.925 1.00 0.00 C ATOM 277 C CYS A 21 2.962 6.122 7.580 1.00 0.00 C ATOM 278 O CYS A 21 3.030 6.977 8.463 1.00 0.00 O ATOM 279 CB CYS A 21 4.425 4.101 7.765 1.00 0.00 C ATOM 280 SG CYS A 21 4.513 2.317 7.404 1.00 0.00 S ATOM 0 H CYS A 21 2.463 3.609 6.179 1.00 0.00 H new ATOM 0 HA CYS A 21 2.689 4.513 8.962 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.919 4.648 6.962 1.00 0.00 H new ATOM 0 HB3 CYS A 21 4.983 4.304 8.679 1.00 0.00 H new ATOM 0 HG CYS A 21 5.757 1.959 7.284 1.00 0.00 H new ATOM 285 N SER A 22 2.853 6.422 6.290 1.00 0.00 N ATOM 286 CA SER A 22 2.809 7.804 5.827 1.00 0.00 C ATOM 287 C SER A 22 4.174 8.469 5.972 1.00 0.00 C ATOM 288 O SER A 22 4.290 9.566 6.519 1.00 0.00 O ATOM 289 CB SER A 22 1.759 8.593 6.612 1.00 0.00 C ATOM 290 OG SER A 22 1.299 9.708 5.868 1.00 0.00 O ATOM 0 H SER A 22 2.794 5.726 5.546 1.00 0.00 H new ATOM 0 HA SER A 22 2.537 7.800 4.772 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.919 7.943 6.857 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.185 8.932 7.556 1.00 0.00 H new ATOM 0 HG SER A 22 0.628 10.195 6.390 1.00 0.00 H new ATOM 296 N LYS A 23 5.208 7.797 5.476 1.00 0.00 N ATOM 297 CA LYS A 23 6.567 8.320 5.547 1.00 0.00 C ATOM 298 C LYS A 23 6.939 9.044 4.257 1.00 0.00 C ATOM 299 O LYS A 23 6.984 10.274 4.213 1.00 0.00 O ATOM 300 CB LYS A 23 7.559 7.186 5.813 1.00 0.00 C ATOM 301 CG LYS A 23 7.287 6.430 7.102 1.00 0.00 C ATOM 302 CD LYS A 23 7.841 7.168 8.309 1.00 0.00 C ATOM 303 CE LYS A 23 9.202 6.626 8.718 1.00 0.00 C ATOM 304 NZ LYS A 23 10.283 7.097 7.808 1.00 0.00 N ATOM 0 H LYS A 23 5.130 6.888 5.020 1.00 0.00 H new ATOM 0 HA LYS A 23 6.613 9.034 6.370 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.530 6.486 4.978 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.568 7.598 5.849 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.213 6.289 7.222 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.734 5.438 7.044 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.925 8.230 8.080 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.146 7.076 9.144 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.425 6.937 9.739 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.175 5.536 8.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.209 6.880 8.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.198 6.616 6.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.198 8.124 7.670 1.00 0.00 H new ATOM 318 N THR A 24 7.206 8.273 3.207 1.00 0.00 N ATOM 319 CA THR A 24 7.574 8.840 1.916 1.00 0.00 C ATOM 320 C THR A 24 7.585 7.771 0.829 1.00 0.00 C ATOM 321 O THR A 24 7.745 6.584 1.114 1.00 0.00 O ATOM 322 CB THR A 24 8.958 9.514 1.973 1.00 0.00 C ATOM 323 OG1 THR A 24 9.828 8.774 2.837 1.00 0.00 O ATOM 324 CG2 THR A 24 8.842 10.948 2.468 1.00 0.00 C ATOM 0 H THR A 24 7.174 7.254 3.226 1.00 0.00 H new ATOM 0 HA THR A 24 6.822 9.591 1.674 1.00 0.00 H new ATOM 0 HB THR A 24 9.373 9.527 0.965 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.706 9.208 2.867 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.832 11.403 2.500 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.203 11.516 1.792 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.408 10.954 3.468 1.00 0.00 H new ATOM 332 N LEU A 25 7.416 8.200 -0.417 1.00 0.00 N ATOM 333 CA LEU A 25 7.408 7.279 -1.548 1.00 0.00 C ATOM 334 C LEU A 25 8.002 7.936 -2.790 1.00 0.00 C ATOM 335 O LEU A 25 7.396 8.828 -3.384 1.00 0.00 O ATOM 336 CB LEU A 25 5.982 6.809 -1.839 1.00 0.00 C ATOM 337 CG LEU A 25 5.325 5.950 -0.758 1.00 0.00 C ATOM 338 CD1 LEU A 25 3.829 6.217 -0.699 1.00 0.00 C ATOM 339 CD2 LEU A 25 5.595 4.474 -1.013 1.00 0.00 C ATOM 0 H LEU A 25 7.283 9.179 -0.669 1.00 0.00 H new ATOM 0 HA LEU A 25 8.022 6.417 -1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.358 7.687 -2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.990 6.242 -2.770 1.00 0.00 H new ATOM 0 HG LEU A 25 5.759 6.218 0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.379 5.597 0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.656 7.268 -0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.378 5.978 -1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.120 3.877 -0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.189 4.192 -1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.670 4.294 -1.003 1.00 0.00 H new ATOM 396 N VAL A 30 4.141 1.742 -4.635 1.00 0.00 N ATOM 397 CA VAL A 30 2.915 1.215 -5.220 1.00 0.00 C ATOM 398 C VAL A 30 1.688 1.921 -4.654 1.00 0.00 C ATOM 399 O VAL A 30 1.798 2.767 -3.766 1.00 0.00 O ATOM 400 CB VAL A 30 2.781 -0.300 -4.973 1.00 0.00 C ATOM 401 CG1 VAL A 30 3.878 -1.059 -5.703 1.00 0.00 C ATOM 402 CG2 VAL A 30 2.815 -0.601 -3.482 1.00 0.00 C ATOM 0 HA VAL A 30 2.973 1.397 -6.293 1.00 0.00 H new ATOM 0 HB VAL A 30 1.820 -0.631 -5.366 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.767 -2.127 -5.517 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.803 -0.867 -6.773 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.852 -0.727 -5.343 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.719 -1.675 -3.325 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.760 -0.256 -3.063 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.990 -0.087 -2.988 1.00 0.00 H new ATOM 412 N THR A 31 0.516 1.568 -5.174 1.00 0.00 N ATOM 413 CA THR A 31 -0.733 2.168 -4.722 1.00 0.00 C ATOM 414 C THR A 31 -1.835 1.122 -4.606 1.00 0.00 C ATOM 415 O THR A 31 -2.084 0.362 -5.542 1.00 0.00 O ATOM 416 CB THR A 31 -1.198 3.284 -5.676 1.00 0.00 C ATOM 417 OG1 THR A 31 -2.312 3.981 -5.109 1.00 0.00 O ATOM 418 CG2 THR A 31 -1.588 2.710 -7.030 1.00 0.00 C ATOM 0 H THR A 31 0.406 0.869 -5.909 1.00 0.00 H new ATOM 0 HA THR A 31 -0.539 2.598 -3.739 1.00 0.00 H new ATOM 0 HB THR A 31 -0.370 3.979 -5.818 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.539 3.584 -4.242 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.913 3.517 -7.687 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.729 2.205 -7.472 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.402 1.996 -6.902 1.00 0.00 H new ATOM 426 N TYR A 32 -2.494 1.089 -3.453 1.00 0.00 N ATOM 427 CA TYR A 32 -3.569 0.134 -3.214 1.00 0.00 C ATOM 428 C TYR A 32 -4.874 0.854 -2.887 1.00 0.00 C ATOM 429 O TYR A 32 -4.946 1.630 -1.935 1.00 0.00 O ATOM 430 CB TYR A 32 -3.196 -0.812 -2.072 1.00 0.00 C ATOM 431 CG TYR A 32 -4.378 -1.548 -1.484 1.00 0.00 C ATOM 432 CD1 TYR A 32 -4.956 -2.621 -2.152 1.00 0.00 C ATOM 433 CD2 TYR A 32 -4.919 -1.170 -0.261 1.00 0.00 C ATOM 434 CE1 TYR A 32 -6.037 -3.296 -1.619 1.00 0.00 C ATOM 435 CE2 TYR A 32 -5.999 -1.840 0.280 1.00 0.00 C ATOM 436 CZ TYR A 32 -6.555 -2.902 -0.402 1.00 0.00 C ATOM 437 OH TYR A 32 -7.631 -3.571 0.133 1.00 0.00 O ATOM 0 H TYR A 32 -2.302 1.713 -2.669 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.713 -0.447 -4.125 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.471 -1.539 -2.436 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.706 -0.241 -1.284 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.553 -2.932 -3.104 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.488 -0.338 0.276 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -6.474 -4.127 -2.152 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.406 -1.534 1.232 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.871 -3.169 0.994 1.00 0.00 H new ATOM 447 N ARG A 33 -5.904 0.589 -3.684 1.00 0.00 N ATOM 448 CA ARG A 33 -7.207 1.211 -3.481 1.00 0.00 C ATOM 449 C ARG A 33 -7.115 2.726 -3.632 1.00 0.00 C ATOM 450 O ARG A 33 -7.525 3.474 -2.743 1.00 0.00 O ATOM 451 CB ARG A 33 -7.755 0.857 -2.098 1.00 0.00 C ATOM 452 CG ARG A 33 -8.370 -0.531 -2.023 1.00 0.00 C ATOM 453 CD ARG A 33 -9.069 -0.760 -0.692 1.00 0.00 C ATOM 454 NE ARG A 33 -10.218 0.124 -0.518 1.00 0.00 N ATOM 455 CZ ARG A 33 -10.136 1.342 0.006 1.00 0.00 C ATOM 456 NH1 ARG A 33 -8.965 1.818 0.404 1.00 0.00 N ATOM 457 NH2 ARG A 33 -11.228 2.087 0.131 1.00 0.00 N ATOM 0 H ARG A 33 -5.861 -0.052 -4.476 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.887 0.828 -4.242 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.949 0.928 -1.368 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.507 1.594 -1.815 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.084 -0.658 -2.837 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.593 -1.282 -2.161 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.397 -1.798 -0.629 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.361 -0.599 0.121 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.134 -0.212 -0.815 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.124 1.249 0.308 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.905 2.754 0.806 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.131 1.724 -0.175 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.164 3.022 0.533 1.00 0.00 H new ATOM 471 N ASP A 34 -6.575 3.172 -4.760 1.00 0.00 N ATOM 472 CA ASP A 34 -6.430 4.599 -5.027 1.00 0.00 C ATOM 473 C ASP A 34 -5.690 5.292 -3.887 1.00 0.00 C ATOM 474 O ASP A 34 -6.020 6.418 -3.516 1.00 0.00 O ATOM 475 CB ASP A 34 -7.801 5.244 -5.229 1.00 0.00 C ATOM 476 CG ASP A 34 -8.257 5.195 -6.675 1.00 0.00 C ATOM 477 OD1 ASP A 34 -7.603 5.835 -7.525 1.00 0.00 O ATOM 478 OD2 ASP A 34 -9.266 4.517 -6.956 1.00 0.00 O ATOM 0 H ASP A 34 -6.230 2.567 -5.505 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.845 4.715 -5.940 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.534 4.736 -4.603 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.763 6.282 -4.898 1.00 0.00 H new ATOM 483 N GLN A 35 -4.691 4.612 -3.336 1.00 0.00 N ATOM 484 CA GLN A 35 -3.907 5.162 -2.237 1.00 0.00 C ATOM 485 C GLN A 35 -2.473 4.645 -2.279 1.00 0.00 C ATOM 486 O GLN A 35 -2.213 3.489 -2.614 1.00 0.00 O ATOM 487 CB GLN A 35 -4.550 4.808 -0.895 1.00 0.00 C ATOM 488 CG GLN A 35 -5.849 5.551 -0.629 1.00 0.00 C ATOM 489 CD GLN A 35 -6.327 5.396 0.802 1.00 0.00 C ATOM 490 OE1 GLN A 35 -7.260 4.643 1.079 1.00 0.00 O ATOM 491 NE2 GLN A 35 -5.687 6.112 1.720 1.00 0.00 N ATOM 0 H GLN A 35 -4.405 3.679 -3.632 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.887 6.246 -2.347 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.742 3.735 -0.865 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.844 5.028 -0.094 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.709 6.609 -0.849 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.619 5.183 -1.307 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.919 6.724 1.445 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.964 6.050 2.700 1.00 0.00 H new ATOM 500 N PRO A 36 -1.517 5.520 -1.931 1.00 0.00 N ATOM 501 CA PRO A 36 -0.093 5.174 -1.920 1.00 0.00 C ATOM 502 C PRO A 36 0.258 4.196 -0.804 1.00 0.00 C ATOM 503 O PRO A 36 -0.076 4.422 0.359 1.00 0.00 O ATOM 504 CB PRO A 36 0.598 6.520 -1.689 1.00 0.00 C ATOM 505 CG PRO A 36 -0.418 7.351 -0.984 1.00 0.00 C ATOM 506 CD PRO A 36 -1.754 6.914 -1.520 1.00 0.00 C ATOM 0 HA PRO A 36 0.212 4.676 -2.840 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.500 6.404 -1.089 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.899 6.978 -2.631 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.363 7.203 0.095 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.251 8.412 -1.169 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.533 6.982 -0.761 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.072 7.532 -2.360 1.00 0.00 H new ATOM 514 N TRP A 37 0.934 3.111 -1.165 1.00 0.00 N ATOM 515 CA TRP A 37 1.330 2.099 -0.192 1.00 0.00 C ATOM 516 C TRP A 37 2.799 1.728 -0.362 1.00 0.00 C ATOM 517 O TRP A 37 3.362 1.862 -1.448 1.00 0.00 O ATOM 518 CB TRP A 37 0.456 0.853 -0.337 1.00 0.00 C ATOM 519 CG TRP A 37 -0.847 0.953 0.397 1.00 0.00 C ATOM 520 CD1 TRP A 37 -1.901 1.764 0.088 1.00 0.00 C ATOM 521 CD2 TRP A 37 -1.232 0.216 1.563 1.00 0.00 C ATOM 522 NE1 TRP A 37 -2.919 1.577 0.992 1.00 0.00 N ATOM 523 CE2 TRP A 37 -2.534 0.632 1.906 1.00 0.00 C ATOM 524 CE3 TRP A 37 -0.606 -0.755 2.348 1.00 0.00 C ATOM 525 CZ2 TRP A 37 -3.217 0.110 3.002 1.00 0.00 C ATOM 526 CZ3 TRP A 37 -1.285 -1.272 3.435 1.00 0.00 C ATOM 527 CH2 TRP A 37 -2.579 -0.840 3.753 1.00 0.00 C ATOM 0 H TRP A 37 1.219 2.909 -2.123 1.00 0.00 H new ATOM 0 HA TRP A 37 1.192 2.515 0.806 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.257 0.679 -1.394 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.006 -0.013 0.031 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.930 2.451 -0.744 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.816 2.063 0.984 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.391 -1.096 2.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.214 0.443 3.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.810 -2.022 4.050 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.084 -1.265 4.608 1.00 0.00 H new ATOM 538 N HIS A 38 3.415 1.260 0.719 1.00 0.00 N ATOM 539 CA HIS A 38 4.820 0.868 0.689 1.00 0.00 C ATOM 540 C HIS A 38 4.984 -0.518 0.072 1.00 0.00 C ATOM 541 O HIS A 38 4.464 -1.505 0.593 1.00 0.00 O ATOM 542 CB HIS A 38 5.406 0.883 2.101 1.00 0.00 C ATOM 543 CG HIS A 38 6.062 2.179 2.464 1.00 0.00 C ATOM 544 ND1 HIS A 38 5.989 2.733 3.724 1.00 0.00 N ATOM 545 CD2 HIS A 38 6.809 3.031 1.723 1.00 0.00 C ATOM 546 CE1 HIS A 38 6.661 3.871 3.742 1.00 0.00 C ATOM 547 NE2 HIS A 38 7.168 4.074 2.540 1.00 0.00 N ATOM 0 H HIS A 38 2.964 1.143 1.626 1.00 0.00 H new ATOM 0 HA HIS A 38 5.359 1.587 0.073 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.611 0.674 2.817 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.136 0.078 2.191 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.073 2.912 0.683 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.776 4.524 4.595 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.735 4.876 2.263 1.00 0.00 H new ATOM 555 N ARG A 39 5.709 -0.583 -1.040 1.00 0.00 N ATOM 556 CA ARG A 39 5.939 -1.847 -1.729 1.00 0.00 C ATOM 557 C ARG A 39 6.185 -2.974 -0.729 1.00 0.00 C ATOM 558 O ARG A 39 5.819 -4.123 -0.974 1.00 0.00 O ATOM 559 CB ARG A 39 7.133 -1.725 -2.678 1.00 0.00 C ATOM 560 CG ARG A 39 6.770 -1.159 -4.042 1.00 0.00 C ATOM 561 CD ARG A 39 7.862 -1.428 -5.065 1.00 0.00 C ATOM 562 NE ARG A 39 8.135 -2.856 -5.211 1.00 0.00 N ATOM 563 CZ ARG A 39 7.479 -3.647 -6.053 1.00 0.00 C ATOM 564 NH1 ARG A 39 6.518 -3.152 -6.820 1.00 0.00 N ATOM 565 NH2 ARG A 39 7.786 -4.935 -6.129 1.00 0.00 N ATOM 0 H ARG A 39 6.147 0.225 -1.483 1.00 0.00 H new ATOM 0 HA ARG A 39 5.046 -2.085 -2.307 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.888 -1.087 -2.218 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.584 -2.709 -2.810 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.834 -1.601 -4.383 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.604 -0.085 -3.959 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.565 -1.015 -6.029 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.775 -0.913 -4.765 1.00 0.00 H new ATOM 0 HE ARG A 39 8.869 -3.268 -4.635 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.281 -2.162 -6.765 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.016 -3.762 -7.466 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.526 -5.318 -5.541 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.282 -5.542 -6.776 1.00 0.00 H new ATOM 579 N GLU A 40 6.806 -2.635 0.396 1.00 0.00 N ATOM 580 CA GLU A 40 7.100 -3.619 1.431 1.00 0.00 C ATOM 581 C GLU A 40 5.880 -3.863 2.314 1.00 0.00 C ATOM 582 O GLU A 40 5.545 -5.005 2.630 1.00 0.00 O ATOM 583 CB GLU A 40 8.279 -3.153 2.289 1.00 0.00 C ATOM 584 CG GLU A 40 7.998 -1.879 3.068 1.00 0.00 C ATOM 585 CD GLU A 40 9.196 -1.410 3.871 1.00 0.00 C ATOM 586 OE1 GLU A 40 10.157 -0.899 3.259 1.00 0.00 O ATOM 587 OE2 GLU A 40 9.171 -1.554 5.111 1.00 0.00 O ATOM 0 H GLU A 40 7.115 -1.688 0.614 1.00 0.00 H new ATOM 0 HA GLU A 40 7.364 -4.556 0.940 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.544 -3.946 2.989 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.144 -2.992 1.646 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.699 -1.092 2.375 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.157 -2.047 3.741 1.00 0.00 H new ATOM 594 N CYS A 41 5.218 -2.781 2.709 1.00 0.00 N ATOM 595 CA CYS A 41 4.035 -2.874 3.556 1.00 0.00 C ATOM 596 C CYS A 41 2.921 -3.645 2.853 1.00 0.00 C ATOM 597 O CYS A 41 2.359 -4.590 3.407 1.00 0.00 O ATOM 598 CB CYS A 41 3.541 -1.476 3.935 1.00 0.00 C ATOM 599 SG CYS A 41 4.631 -0.593 5.098 1.00 0.00 S ATOM 0 H CYS A 41 5.481 -1.829 2.456 1.00 0.00 H new ATOM 0 HA CYS A 41 4.310 -3.413 4.462 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.437 -0.881 3.028 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.548 -1.560 4.377 1.00 0.00 H new ATOM 0 HG CYS A 41 3.990 0.412 5.616 1.00 0.00 H new ATOM 604 N LEU A 42 2.608 -3.235 1.629 1.00 0.00 N ATOM 605 CA LEU A 42 1.563 -3.887 0.848 1.00 0.00 C ATOM 606 C LEU A 42 1.771 -5.397 0.811 1.00 0.00 C ATOM 607 O LEU A 42 2.539 -5.909 -0.004 1.00 0.00 O ATOM 608 CB LEU A 42 1.540 -3.329 -0.577 1.00 0.00 C ATOM 609 CG LEU A 42 0.462 -3.894 -1.502 1.00 0.00 C ATOM 610 CD1 LEU A 42 -0.924 -3.520 -0.998 1.00 0.00 C ATOM 611 CD2 LEU A 42 0.666 -3.397 -2.925 1.00 0.00 C ATOM 0 H LEU A 42 3.063 -2.454 1.156 1.00 0.00 H new ATOM 0 HA LEU A 42 0.606 -3.683 1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.412 -2.248 -0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.513 -3.511 -1.033 1.00 0.00 H new ATOM 0 HG LEU A 42 0.545 -4.981 -1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.678 -3.931 -1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.069 -3.926 0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.019 -2.435 -0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.111 -3.809 -3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.611 -2.309 -2.942 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.644 -3.716 -3.285 1.00 0.00 H new ATOM 623 N VAL A 43 1.081 -6.106 1.699 1.00 0.00 N ATOM 624 CA VAL A 43 1.188 -7.559 1.766 1.00 0.00 C ATOM 625 C VAL A 43 -0.127 -8.186 2.216 1.00 0.00 C ATOM 626 O VAL A 43 -0.949 -7.537 2.863 1.00 0.00 O ATOM 627 CB VAL A 43 2.308 -7.995 2.730 1.00 0.00 C ATOM 628 CG1 VAL A 43 3.648 -7.435 2.279 1.00 0.00 C ATOM 629 CG2 VAL A 43 1.988 -7.557 4.151 1.00 0.00 C ATOM 0 H VAL A 43 0.442 -5.698 2.382 1.00 0.00 H new ATOM 0 HA VAL A 43 1.428 -7.906 0.761 1.00 0.00 H new ATOM 0 HB VAL A 43 2.373 -9.083 2.716 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.427 -7.753 2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.879 -7.804 1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.600 -6.346 2.262 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.790 -7.873 4.818 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.895 -6.472 4.185 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.050 -8.012 4.469 1.00 0.00 H new ATOM 639 N CYS A 44 -0.320 -9.454 1.868 1.00 0.00 N ATOM 640 CA CYS A 44 -1.535 -10.172 2.235 1.00 0.00 C ATOM 641 C CYS A 44 -1.826 -10.023 3.726 1.00 0.00 C ATOM 642 O CYS A 44 -0.911 -9.866 4.536 1.00 0.00 O ATOM 643 CB CYS A 44 -1.406 -11.653 1.875 1.00 0.00 C ATOM 644 SG CYS A 44 -2.904 -12.634 2.214 1.00 0.00 S ATOM 0 H CYS A 44 0.350 -10.006 1.332 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.365 -9.740 1.676 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.160 -11.739 0.816 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.571 -12.080 2.431 1.00 0.00 H new ATOM 0 HG CYS A 44 -2.980 -13.617 1.367 1.00 0.00 H new ATOM 649 N THR A 45 -3.106 -10.073 4.082 1.00 0.00 N ATOM 650 CA THR A 45 -3.518 -9.943 5.473 1.00 0.00 C ATOM 651 C THR A 45 -3.667 -11.309 6.133 1.00 0.00 C ATOM 652 O THR A 45 -4.326 -11.444 7.163 1.00 0.00 O ATOM 653 CB THR A 45 -4.849 -9.179 5.596 1.00 0.00 C ATOM 654 OG1 THR A 45 -4.777 -7.948 4.867 1.00 0.00 O ATOM 655 CG2 THR A 45 -5.177 -8.892 7.054 1.00 0.00 C ATOM 0 H THR A 45 -3.875 -10.203 3.425 1.00 0.00 H new ATOM 0 HA THR A 45 -2.736 -9.380 5.982 1.00 0.00 H new ATOM 0 HB THR A 45 -5.639 -9.803 5.179 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.732 -8.139 3.907 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.122 -8.352 7.115 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.261 -9.832 7.600 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.384 -8.287 7.493 1.00 0.00 H new ATOM 663 N GLY A 46 -3.049 -12.322 5.532 1.00 0.00 N ATOM 664 CA GLY A 46 -3.125 -13.665 6.076 1.00 0.00 C ATOM 665 C GLY A 46 -1.784 -14.372 6.065 1.00 0.00 C ATOM 666 O GLY A 46 -1.316 -14.846 7.101 1.00 0.00 O ATOM 0 H GLY A 46 -2.497 -12.236 4.678 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.499 -13.619 7.099 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.844 -14.247 5.499 1.00 0.00 H new ATOM 670 N CYS A 47 -1.165 -14.445 4.892 1.00 0.00 N ATOM 671 CA CYS A 47 0.129 -15.101 4.749 1.00 0.00 C ATOM 672 C CYS A 47 1.263 -14.080 4.783 1.00 0.00 C ATOM 673 O CYS A 47 2.426 -14.436 4.969 1.00 0.00 O ATOM 674 CB CYS A 47 0.182 -15.894 3.442 1.00 0.00 C ATOM 675 SG CYS A 47 0.012 -14.871 1.944 1.00 0.00 S ATOM 0 H CYS A 47 -1.539 -14.058 4.026 1.00 0.00 H new ATOM 0 HA CYS A 47 0.255 -15.787 5.587 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.128 -16.434 3.395 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.611 -16.641 3.451 1.00 0.00 H new ATOM 0 HG CYS A 47 -1.121 -14.235 1.979 1.00 0.00 H new ATOM 680 N GLN A 48 0.914 -12.810 4.603 1.00 0.00 N ATOM 681 CA GLN A 48 1.902 -11.738 4.613 1.00 0.00 C ATOM 682 C GLN A 48 2.822 -11.835 3.400 1.00 0.00 C ATOM 683 O GLN A 48 4.045 -11.886 3.536 1.00 0.00 O ATOM 684 CB GLN A 48 2.728 -11.789 5.899 1.00 0.00 C ATOM 685 CG GLN A 48 1.884 -11.817 7.163 1.00 0.00 C ATOM 686 CD GLN A 48 0.847 -10.712 7.198 1.00 0.00 C ATOM 687 OE1 GLN A 48 -0.395 -11.055 6.879 1.00 0.00 O flip ATOM 688 NE2 GLN A 48 1.159 -9.562 7.507 1.00 0.00 N flip ATOM 0 H GLN A 48 -0.045 -12.499 4.449 1.00 0.00 H new ATOM 0 HA GLN A 48 1.370 -10.787 4.569 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.365 -12.674 5.877 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.388 -10.922 5.932 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.383 -12.782 7.239 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.535 -11.726 8.032 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.126 -9.343 7.745 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.450 -8.829 7.525 1.00 0.00 H new ATOM 697 N THR A 49 2.226 -11.859 2.212 1.00 0.00 N ATOM 698 CA THR A 49 2.991 -11.951 0.975 1.00 0.00 C ATOM 699 C THR A 49 2.935 -10.642 0.195 1.00 0.00 C ATOM 700 O THR A 49 1.902 -9.976 0.127 1.00 0.00 O ATOM 701 CB THR A 49 2.474 -13.092 0.078 1.00 0.00 C ATOM 702 OG1 THR A 49 3.395 -13.329 -0.992 1.00 0.00 O ATOM 703 CG2 THR A 49 1.104 -12.755 -0.490 1.00 0.00 C ATOM 0 H THR A 49 1.215 -11.816 2.081 1.00 0.00 H new ATOM 0 HA THR A 49 4.023 -12.159 1.257 1.00 0.00 H new ATOM 0 HB THR A 49 2.386 -13.992 0.687 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.136 -13.884 -0.669 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.760 -13.575 -1.120 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.399 -12.604 0.327 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.171 -11.844 -1.085 1.00 0.00 H new ATOM 711 N PRO A 50 4.072 -10.263 -0.408 1.00 0.00 N ATOM 712 CA PRO A 50 4.177 -9.031 -1.195 1.00 0.00 C ATOM 713 C PRO A 50 3.394 -9.109 -2.502 1.00 0.00 C ATOM 714 O PRO A 50 3.814 -9.773 -3.450 1.00 0.00 O ATOM 715 CB PRO A 50 5.677 -8.917 -1.477 1.00 0.00 C ATOM 716 CG PRO A 50 6.184 -10.316 -1.404 1.00 0.00 C ATOM 717 CD PRO A 50 5.341 -11.008 -0.369 1.00 0.00 C ATOM 0 HA PRO A 50 3.762 -8.173 -0.666 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.863 -8.479 -2.458 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.170 -8.279 -0.744 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.101 -10.812 -2.371 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.238 -10.335 -1.126 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.196 -12.062 -0.608 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.802 -10.966 0.618 1.00 0.00 H new ATOM 725 N LEU A 51 2.256 -8.426 -2.545 1.00 0.00 N ATOM 726 CA LEU A 51 1.414 -8.417 -3.736 1.00 0.00 C ATOM 727 C LEU A 51 1.885 -7.359 -4.728 1.00 0.00 C ATOM 728 O LEU A 51 1.161 -6.996 -5.655 1.00 0.00 O ATOM 729 CB LEU A 51 -0.044 -8.160 -3.353 1.00 0.00 C ATOM 730 CG LEU A 51 -0.586 -8.985 -2.185 1.00 0.00 C ATOM 731 CD1 LEU A 51 -1.678 -8.220 -1.452 1.00 0.00 C ATOM 732 CD2 LEU A 51 -1.111 -10.326 -2.677 1.00 0.00 C ATOM 0 H LEU A 51 1.895 -7.871 -1.769 1.00 0.00 H new ATOM 0 HA LEU A 51 1.491 -9.395 -4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.154 -7.104 -3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.667 -8.351 -4.227 1.00 0.00 H new ATOM 0 HG LEU A 51 0.231 -9.171 -1.487 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.052 -8.823 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.271 -7.286 -1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.495 -8.003 -2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.493 -10.899 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.914 -10.161 -3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.303 -10.879 -3.156 1.00 0.00 H new ATOM 744 N ALA A 52 3.104 -6.868 -4.528 1.00 0.00 N ATOM 745 CA ALA A 52 3.673 -5.854 -5.407 1.00 0.00 C ATOM 746 C ALA A 52 3.495 -6.236 -6.873 1.00 0.00 C ATOM 747 O ALA A 52 4.270 -7.020 -7.419 1.00 0.00 O ATOM 748 CB ALA A 52 5.146 -5.647 -5.089 1.00 0.00 C ATOM 0 H ALA A 52 3.716 -7.156 -3.765 1.00 0.00 H new ATOM 0 HA ALA A 52 3.140 -4.919 -5.235 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.558 -4.887 -5.753 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.253 -5.321 -4.054 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.684 -6.584 -5.232 1.00 0.00 H new ATOM 754 N GLY A 53 2.468 -5.676 -7.505 1.00 0.00 N ATOM 755 CA GLY A 53 2.207 -5.971 -8.902 1.00 0.00 C ATOM 756 C GLY A 53 1.795 -7.413 -9.123 1.00 0.00 C ATOM 757 O GLY A 53 2.172 -8.026 -10.121 1.00 0.00 O ATOM 0 H GLY A 53 1.812 -5.024 -7.075 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.420 -5.311 -9.269 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.101 -5.758 -9.488 1.00 0.00 H new ATOM 761 N GLN A 54 1.021 -7.955 -8.188 1.00 0.00 N ATOM 762 CA GLN A 54 0.560 -9.335 -8.285 1.00 0.00 C ATOM 763 C GLN A 54 -0.962 -9.398 -8.350 1.00 0.00 C ATOM 764 O GLN A 54 -1.651 -8.507 -7.853 1.00 0.00 O ATOM 765 CB GLN A 54 1.065 -10.149 -7.093 1.00 0.00 C ATOM 766 CG GLN A 54 0.419 -11.520 -6.974 1.00 0.00 C ATOM 767 CD GLN A 54 1.305 -12.523 -6.261 1.00 0.00 C ATOM 768 OE1 GLN A 54 1.779 -13.487 -6.862 1.00 0.00 O ATOM 769 NE2 GLN A 54 1.533 -12.299 -4.972 1.00 0.00 N ATOM 0 H GLN A 54 0.700 -7.460 -7.356 1.00 0.00 H new ATOM 0 HA GLN A 54 0.962 -9.761 -9.204 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.145 -10.272 -7.179 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.880 -9.589 -6.177 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.524 -11.427 -6.436 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.182 -11.894 -7.970 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.119 -11.487 -4.515 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.122 -12.939 -4.439 1.00 0.00 H new ATOM 778 N GLN A 55 -1.481 -10.455 -8.967 1.00 0.00 N ATOM 779 CA GLN A 55 -2.922 -10.632 -9.097 1.00 0.00 C ATOM 780 C GLN A 55 -3.538 -11.079 -7.775 1.00 0.00 C ATOM 781 O GLN A 55 -3.332 -12.210 -7.334 1.00 0.00 O ATOM 782 CB GLN A 55 -3.235 -11.655 -10.191 1.00 0.00 C ATOM 783 CG GLN A 55 -4.636 -11.523 -10.764 1.00 0.00 C ATOM 784 CD GLN A 55 -4.872 -12.443 -11.946 1.00 0.00 C ATOM 785 OE1 GLN A 55 -4.330 -12.230 -13.031 1.00 0.00 O ATOM 786 NE2 GLN A 55 -5.685 -13.473 -11.742 1.00 0.00 N ATOM 0 H GLN A 55 -0.925 -11.201 -9.384 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.357 -9.671 -9.372 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.510 -11.546 -10.997 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.111 -12.659 -9.785 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.365 -11.744 -9.985 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.802 -10.491 -11.073 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.113 -13.612 -10.826 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.882 -14.126 -12.501 1.00 0.00 H new ATOM 795 N PHE A 56 -4.293 -10.184 -7.147 1.00 0.00 N ATOM 796 CA PHE A 56 -4.937 -10.486 -5.874 1.00 0.00 C ATOM 797 C PHE A 56 -6.270 -9.753 -5.752 1.00 0.00 C ATOM 798 O PHE A 56 -6.679 -9.028 -6.660 1.00 0.00 O ATOM 799 CB PHE A 56 -4.022 -10.100 -4.711 1.00 0.00 C ATOM 800 CG PHE A 56 -3.898 -8.617 -4.512 1.00 0.00 C ATOM 801 CD1 PHE A 56 -4.840 -7.922 -3.771 1.00 0.00 C ATOM 802 CD2 PHE A 56 -2.838 -7.916 -5.067 1.00 0.00 C ATOM 803 CE1 PHE A 56 -4.728 -6.557 -3.587 1.00 0.00 C ATOM 804 CE2 PHE A 56 -2.721 -6.551 -4.886 1.00 0.00 C ATOM 805 CZ PHE A 56 -3.667 -5.871 -4.145 1.00 0.00 C ATOM 0 H PHE A 56 -4.474 -9.244 -7.499 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.127 -11.559 -5.837 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.403 -10.551 -3.795 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.031 -10.519 -4.884 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.672 -8.453 -3.332 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.095 -8.443 -5.647 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.469 -6.027 -3.007 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.891 -6.017 -5.324 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.577 -4.804 -4.002 1.00 0.00 H new ATOM 815 N THR A 57 -6.945 -9.948 -4.623 1.00 0.00 N ATOM 816 CA THR A 57 -8.232 -9.309 -4.382 1.00 0.00 C ATOM 817 C THR A 57 -8.320 -8.771 -2.958 1.00 0.00 C ATOM 818 O THR A 57 -7.614 -9.237 -2.063 1.00 0.00 O ATOM 819 CB THR A 57 -9.398 -10.285 -4.623 1.00 0.00 C ATOM 820 OG1 THR A 57 -10.646 -9.629 -4.372 1.00 0.00 O ATOM 821 CG2 THR A 57 -9.274 -11.508 -3.727 1.00 0.00 C ATOM 0 H THR A 57 -6.621 -10.544 -3.861 1.00 0.00 H new ATOM 0 HA THR A 57 -8.311 -8.481 -5.086 1.00 0.00 H new ATOM 0 HB THR A 57 -9.361 -10.610 -5.663 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.383 -10.256 -4.529 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.109 -12.183 -3.915 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.337 -12.022 -3.940 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.287 -11.197 -2.682 1.00 0.00 H new ATOM 829 N SER A 58 -9.192 -7.789 -2.754 1.00 0.00 N ATOM 830 CA SER A 58 -9.370 -7.185 -1.439 1.00 0.00 C ATOM 831 C SER A 58 -10.749 -7.510 -0.874 1.00 0.00 C ATOM 832 O SER A 58 -11.722 -7.639 -1.618 1.00 0.00 O ATOM 833 CB SER A 58 -9.184 -5.669 -1.520 1.00 0.00 C ATOM 834 OG SER A 58 -10.206 -5.071 -2.299 1.00 0.00 O ATOM 0 H SER A 58 -9.787 -7.395 -3.483 1.00 0.00 H new ATOM 0 HA SER A 58 -8.615 -7.601 -0.771 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.192 -5.244 -0.516 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.211 -5.442 -1.955 1.00 0.00 H new ATOM 0 HG SER A 58 -10.066 -4.102 -2.334 1.00 0.00 H new ATOM 840 N ARG A 59 -10.826 -7.641 0.446 1.00 0.00 N ATOM 841 CA ARG A 59 -12.085 -7.952 1.111 1.00 0.00 C ATOM 842 C ARG A 59 -12.224 -7.162 2.410 1.00 0.00 C ATOM 843 O ARG A 59 -11.297 -7.111 3.219 1.00 0.00 O ATOM 844 CB ARG A 59 -12.177 -9.451 1.401 1.00 0.00 C ATOM 845 CG ARG A 59 -13.560 -9.904 1.839 1.00 0.00 C ATOM 846 CD ARG A 59 -14.518 -9.986 0.661 1.00 0.00 C ATOM 847 NE ARG A 59 -15.903 -10.154 1.093 1.00 0.00 N ATOM 848 CZ ARG A 59 -16.950 -9.756 0.378 1.00 0.00 C ATOM 849 NH1 ARG A 59 -16.769 -9.170 -0.798 1.00 0.00 N ATOM 850 NH2 ARG A 59 -18.180 -9.944 0.838 1.00 0.00 N ATOM 0 H ARG A 59 -10.031 -7.537 1.076 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.899 -7.667 0.444 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.890 -10.004 0.506 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.457 -9.707 2.179 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -13.489 -10.879 2.320 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.953 -9.210 2.582 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.433 -9.080 0.061 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -14.234 -10.821 0.020 1.00 0.00 H new ATOM 0 HE ARG A 59 -16.076 -10.601 1.993 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.825 -9.024 -1.155 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -17.574 -8.865 -1.345 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.323 -10.395 1.742 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -18.983 -9.638 0.288 1.00 0.00 H new ATOM 864 N ASP A 60 -13.386 -6.548 2.601 1.00 0.00 N ATOM 865 CA ASP A 60 -13.646 -5.762 3.801 1.00 0.00 C ATOM 866 C ASP A 60 -12.513 -4.773 4.059 1.00 0.00 C ATOM 867 O ASP A 60 -12.089 -4.585 5.199 1.00 0.00 O ATOM 868 CB ASP A 60 -13.824 -6.681 5.011 1.00 0.00 C ATOM 869 CG ASP A 60 -14.957 -7.670 4.825 1.00 0.00 C ATOM 870 OD1 ASP A 60 -15.965 -7.306 4.183 1.00 0.00 O ATOM 871 OD2 ASP A 60 -14.836 -8.810 5.319 1.00 0.00 O ATOM 0 H ASP A 60 -14.163 -6.579 1.941 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.566 -5.199 3.644 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.897 -7.225 5.190 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.015 -6.077 5.898 1.00 0.00 H new ATOM 876 N GLU A 61 -12.028 -4.146 2.993 1.00 0.00 N ATOM 877 CA GLU A 61 -10.943 -3.178 3.105 1.00 0.00 C ATOM 878 C GLU A 61 -9.657 -3.854 3.575 1.00 0.00 C ATOM 879 O GLU A 61 -8.983 -3.367 4.482 1.00 0.00 O ATOM 880 CB GLU A 61 -11.326 -2.058 4.075 1.00 0.00 C ATOM 881 CG GLU A 61 -12.622 -1.354 3.709 1.00 0.00 C ATOM 882 CD GLU A 61 -12.645 0.095 4.155 1.00 0.00 C ATOM 883 OE1 GLU A 61 -11.909 0.436 5.105 1.00 0.00 O ATOM 884 OE2 GLU A 61 -13.398 0.888 3.553 1.00 0.00 O ATOM 0 H GLU A 61 -12.369 -4.290 2.042 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.769 -2.750 2.118 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.419 -2.473 5.078 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.520 -1.325 4.107 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.764 -1.400 2.629 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.460 -1.883 4.163 1.00 0.00 H new ATOM 891 N ASP A 62 -9.326 -4.979 2.951 1.00 0.00 N ATOM 892 CA ASP A 62 -8.122 -5.723 3.303 1.00 0.00 C ATOM 893 C ASP A 62 -7.604 -6.516 2.108 1.00 0.00 C ATOM 894 O ASP A 62 -8.303 -7.355 1.538 1.00 0.00 O ATOM 895 CB ASP A 62 -8.404 -6.666 4.474 1.00 0.00 C ATOM 896 CG ASP A 62 -8.525 -5.931 5.794 1.00 0.00 C ATOM 897 OD1 ASP A 62 -7.515 -5.352 6.245 1.00 0.00 O ATOM 898 OD2 ASP A 62 -9.630 -5.934 6.375 1.00 0.00 O ATOM 0 H ASP A 62 -9.874 -5.396 2.199 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.356 -5.007 3.600 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.326 -7.214 4.281 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.604 -7.403 4.544 1.00 0.00 H new ATOM 903 N PRO A 63 -6.350 -6.246 1.717 1.00 0.00 N ATOM 904 CA PRO A 63 -5.710 -6.923 0.585 1.00 0.00 C ATOM 905 C PRO A 63 -5.406 -8.388 0.882 1.00 0.00 C ATOM 906 O PRO A 63 -4.588 -8.698 1.749 1.00 0.00 O ATOM 907 CB PRO A 63 -4.412 -6.137 0.388 1.00 0.00 C ATOM 908 CG PRO A 63 -4.122 -5.544 1.724 1.00 0.00 C ATOM 909 CD PRO A 63 -5.459 -5.258 2.349 1.00 0.00 C ATOM 0 HA PRO A 63 -6.352 -6.939 -0.296 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.601 -6.787 0.059 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.529 -5.364 -0.371 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.543 -6.233 2.339 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.534 -4.632 1.627 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.430 -5.378 3.432 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.785 -4.237 2.150 1.00 0.00 H new ATOM 917 N TYR A 64 -6.069 -9.283 0.159 1.00 0.00 N ATOM 918 CA TYR A 64 -5.870 -10.716 0.347 1.00 0.00 C ATOM 919 C TYR A 64 -5.441 -11.382 -0.956 1.00 0.00 C ATOM 920 O TYR A 64 -6.039 -11.158 -2.009 1.00 0.00 O ATOM 921 CB TYR A 64 -7.154 -11.366 0.867 1.00 0.00 C ATOM 922 CG TYR A 64 -7.400 -11.128 2.339 1.00 0.00 C ATOM 923 CD1 TYR A 64 -6.729 -11.868 3.305 1.00 0.00 C ATOM 924 CD2 TYR A 64 -8.303 -10.162 2.766 1.00 0.00 C ATOM 925 CE1 TYR A 64 -6.951 -11.655 4.651 1.00 0.00 C ATOM 926 CE2 TYR A 64 -8.531 -9.941 4.110 1.00 0.00 C ATOM 927 CZ TYR A 64 -7.853 -10.690 5.049 1.00 0.00 C ATOM 928 OH TYR A 64 -8.076 -10.473 6.389 1.00 0.00 O ATOM 0 H TYR A 64 -6.749 -9.042 -0.562 1.00 0.00 H new ATOM 0 HA TYR A 64 -5.077 -10.854 1.082 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -8.001 -10.982 0.299 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -7.108 -12.440 0.684 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.021 -12.623 2.997 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.836 -9.574 2.034 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -6.422 -12.240 5.388 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -9.236 -9.186 4.424 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.739 -9.759 6.499 1.00 0.00 H new ATOM 938 N CYS A 65 -4.399 -12.203 -0.878 1.00 0.00 N ATOM 939 CA CYS A 65 -3.887 -12.904 -2.049 1.00 0.00 C ATOM 940 C CYS A 65 -4.806 -14.058 -2.437 1.00 0.00 C ATOM 941 O CYS A 65 -5.480 -14.643 -1.588 1.00 0.00 O ATOM 942 CB CYS A 65 -2.476 -13.430 -1.779 1.00 0.00 C ATOM 943 SG CYS A 65 -2.434 -15.050 -0.947 1.00 0.00 S ATOM 0 H CYS A 65 -3.892 -12.399 -0.015 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.851 -12.197 -2.877 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.940 -13.505 -2.725 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.940 -12.705 -1.167 1.00 0.00 H new ATOM 0 HG CYS A 65 -1.613 -14.999 0.060 1.00 0.00 H new ATOM 948 N VAL A 66 -4.829 -14.381 -3.727 1.00 0.00 N ATOM 949 CA VAL A 66 -5.664 -15.466 -4.228 1.00 0.00 C ATOM 950 C VAL A 66 -5.532 -16.710 -3.357 1.00 0.00 C ATOM 951 O VAL A 66 -6.496 -17.450 -3.162 1.00 0.00 O ATOM 952 CB VAL A 66 -5.301 -15.829 -5.680 1.00 0.00 C ATOM 953 CG1 VAL A 66 -6.182 -16.962 -6.184 1.00 0.00 C ATOM 954 CG2 VAL A 66 -5.421 -14.608 -6.580 1.00 0.00 C ATOM 0 H VAL A 66 -4.279 -13.907 -4.443 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.694 -15.112 -4.196 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.266 -16.169 -5.703 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.911 -17.204 -7.211 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.041 -17.841 -5.554 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.227 -16.654 -6.148 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.161 -14.883 -7.602 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.445 -14.236 -6.554 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.743 -13.830 -6.230 1.00 0.00 H new ATOM 964 N ALA A 67 -4.331 -16.934 -2.833 1.00 0.00 N ATOM 965 CA ALA A 67 -4.072 -18.086 -1.980 1.00 0.00 C ATOM 966 C ALA A 67 -4.914 -18.029 -0.710 1.00 0.00 C ATOM 967 O ALA A 67 -5.407 -19.052 -0.233 1.00 0.00 O ATOM 968 CB ALA A 67 -2.593 -18.164 -1.632 1.00 0.00 C ATOM 0 H ALA A 67 -3.522 -16.332 -2.985 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.352 -18.984 -2.530 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.414 -19.030 -0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.009 -18.261 -2.547 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.295 -17.258 -1.105 1.00 0.00 H new ATOM 974 N CYS A 68 -5.074 -16.828 -0.165 1.00 0.00 N ATOM 975 CA CYS A 68 -5.856 -16.637 1.051 1.00 0.00 C ATOM 976 C CYS A 68 -7.341 -16.503 0.727 1.00 0.00 C ATOM 977 O CYS A 68 -8.186 -17.128 1.369 1.00 0.00 O ATOM 978 CB CYS A 68 -5.373 -15.395 1.802 1.00 0.00 C ATOM 979 SG CYS A 68 -3.836 -15.649 2.748 1.00 0.00 S ATOM 0 H CYS A 68 -4.672 -15.972 -0.546 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.718 -17.514 1.684 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.217 -14.588 1.086 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.157 -15.068 2.485 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.161 -14.539 2.785 1.00 0.00 H new ATOM 984 N PHE A 69 -7.652 -15.685 -0.272 1.00 0.00 N ATOM 985 CA PHE A 69 -9.035 -15.468 -0.681 1.00 0.00 C ATOM 986 C PHE A 69 -9.785 -16.792 -0.784 1.00 0.00 C ATOM 987 O PHE A 69 -10.829 -16.978 -0.159 1.00 0.00 O ATOM 988 CB PHE A 69 -9.083 -14.736 -2.024 1.00 0.00 C ATOM 989 CG PHE A 69 -10.472 -14.594 -2.579 1.00 0.00 C ATOM 990 CD1 PHE A 69 -11.299 -13.565 -2.158 1.00 0.00 C ATOM 991 CD2 PHE A 69 -10.950 -15.489 -3.522 1.00 0.00 C ATOM 992 CE1 PHE A 69 -12.577 -13.431 -2.667 1.00 0.00 C ATOM 993 CE2 PHE A 69 -12.226 -15.360 -4.035 1.00 0.00 C ATOM 994 CZ PHE A 69 -13.041 -14.331 -3.607 1.00 0.00 C ATOM 0 H PHE A 69 -6.965 -15.161 -0.814 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.520 -14.854 0.077 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.645 -13.745 -1.905 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.466 -15.273 -2.744 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.941 -12.859 -1.423 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.318 -16.297 -3.860 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.212 -12.624 -2.331 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.586 -16.064 -4.771 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.039 -14.230 -4.006 1.00 0.00 H new ATOM 1004 N GLY A 70 -9.246 -17.712 -1.579 1.00 0.00 N ATOM 1005 CA GLY A 70 -9.877 -19.007 -1.751 1.00 0.00 C ATOM 1006 C GLY A 70 -9.445 -20.007 -0.697 1.00 0.00 C ATOM 1007 O GLY A 70 -9.517 -21.216 -0.913 1.00 0.00 O ATOM 0 H GLY A 70 -8.383 -17.583 -2.107 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.960 -18.888 -1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.634 -19.398 -2.739 1.00 0.00 H new ATOM 1011 N GLU A 71 -8.992 -19.501 0.446 1.00 0.00 N ATOM 1012 CA GLU A 71 -8.544 -20.360 1.536 1.00 0.00 C ATOM 1013 C GLU A 71 -9.265 -20.012 2.835 1.00 0.00 C ATOM 1014 O GLU A 71 -9.530 -20.884 3.664 1.00 0.00 O ATOM 1015 CB GLU A 71 -7.031 -20.230 1.729 1.00 0.00 C ATOM 1016 CG GLU A 71 -6.531 -20.825 3.034 1.00 0.00 C ATOM 1017 CD GLU A 71 -5.314 -20.100 3.576 1.00 0.00 C ATOM 1018 OE1 GLU A 71 -4.494 -19.627 2.762 1.00 0.00 O ATOM 1019 OE2 GLU A 71 -5.181 -20.007 4.814 1.00 0.00 O ATOM 0 H GLU A 71 -8.926 -18.502 0.641 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.782 -21.391 1.273 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.524 -20.720 0.898 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.758 -19.175 1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.330 -20.790 3.775 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.285 -21.876 2.880 1.00 0.00 H new ATOM 1026 N LEU A 72 -9.580 -18.733 3.005 1.00 0.00 N ATOM 1027 CA LEU A 72 -10.270 -18.268 4.203 1.00 0.00 C ATOM 1028 C LEU A 72 -11.780 -18.245 3.987 1.00 0.00 C ATOM 1029 O LEU A 72 -12.534 -18.869 4.735 1.00 0.00 O ATOM 1030 CB LEU A 72 -9.778 -16.872 4.590 1.00 0.00 C ATOM 1031 CG LEU A 72 -8.393 -16.804 5.235 1.00 0.00 C ATOM 1032 CD1 LEU A 72 -7.315 -17.162 4.224 1.00 0.00 C ATOM 1033 CD2 LEU A 72 -8.143 -15.420 5.817 1.00 0.00 C ATOM 0 H LEU A 72 -9.369 -17.999 2.329 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.047 -18.963 5.013 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.771 -16.250 3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.500 -16.432 5.278 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.356 -17.530 6.047 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.336 -17.108 4.701 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.484 -18.174 3.855 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.351 -16.461 3.390 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.153 -15.390 6.272 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.200 -14.676 5.023 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.897 -15.202 6.574 1.00 0.00 H new ATOM 1045 N PHE A 73 -12.215 -17.524 2.960 1.00 0.00 N ATOM 1046 CA PHE A 73 -13.635 -17.421 2.644 1.00 0.00 C ATOM 1047 C PHE A 73 -14.145 -18.710 2.008 1.00 0.00 C ATOM 1048 O PHE A 73 -15.224 -19.197 2.346 1.00 0.00 O ATOM 1049 CB PHE A 73 -13.885 -16.240 1.703 1.00 0.00 C ATOM 1050 CG PHE A 73 -13.155 -14.990 2.103 1.00 0.00 C ATOM 1051 CD1 PHE A 73 -13.275 -14.482 3.386 1.00 0.00 C ATOM 1052 CD2 PHE A 73 -12.349 -14.323 1.195 1.00 0.00 C ATOM 1053 CE1 PHE A 73 -12.605 -13.331 3.756 1.00 0.00 C ATOM 1054 CE2 PHE A 73 -11.676 -13.172 1.559 1.00 0.00 C ATOM 1055 CZ PHE A 73 -11.803 -12.676 2.841 1.00 0.00 C ATOM 0 H PHE A 73 -11.604 -17.002 2.332 1.00 0.00 H new ATOM 0 HA PHE A 73 -14.178 -17.256 3.574 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.584 -16.520 0.694 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -14.954 -16.032 1.670 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -13.899 -14.991 4.105 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -12.245 -14.707 0.191 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -12.708 -12.944 4.759 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -11.051 -12.661 0.841 1.00 0.00 H new ATOM 0 HZ PHE A 73 -11.277 -11.778 3.128 1.00 0.00 H new