USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 719 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 25 GLN : amide:sc= -1.05 K(o=-0.91,f=-3.5) USER MOD Set 1.2: A 48 ASN : amide:sc= 0.134 K(o=-0.91,f=-4) USER MOD Single : A 14 LYS NZ :NH3+ -157:sc= 0.559 (180deg=-0.207) USER MOD Single : A 16 MET CE :methyl -143:sc= -0.31 (180deg=-1.55!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 162:sc= -0.0276 (180deg=-0.309) USER MOD Single : A 34 GLN : amide:sc= -1.45 X(o=-1.5,f=-1.1) USER MOD Single : A 36 HIS : no HD1:sc= -0.0222 X(o=-0.022,f=-0.13) USER MOD Single : A 43 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.159) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -147:sc= -0.11 (180deg=-1.06) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.602) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot -89:sc= 0.694 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 227 N LEU A 13 -5.922 -17.612 -1.118 1.00 0.00 N ATOM 228 CA LEU A 13 -6.502 -16.279 -1.171 1.00 0.00 C ATOM 229 C LEU A 13 -6.708 -15.846 -2.621 1.00 0.00 C ATOM 230 O LEU A 13 -6.518 -16.648 -3.531 1.00 0.00 O ATOM 231 CB LEU A 13 -5.607 -15.317 -0.378 1.00 0.00 C ATOM 232 CG LEU A 13 -4.114 -15.276 -0.746 1.00 0.00 C ATOM 233 CD1 LEU A 13 -3.879 -14.688 -2.138 1.00 0.00 C ATOM 234 CD2 LEU A 13 -3.391 -14.402 0.286 1.00 0.00 C ATOM 0 HA LEU A 13 -7.489 -16.272 -0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.010 -14.311 -0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.687 -15.575 0.678 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.734 -16.297 -0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.811 -14.679 -2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.394 -15.296 -2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.264 -13.669 -2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.329 -14.358 0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.809 -13.396 0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.520 -14.830 1.280 1.00 0.00 H new ATOM 246 N LYS A 14 -7.084 -14.577 -2.834 1.00 0.00 N ATOM 247 CA LYS A 14 -7.198 -13.968 -4.156 1.00 0.00 C ATOM 248 C LYS A 14 -6.399 -12.661 -4.225 1.00 0.00 C ATOM 249 O LYS A 14 -6.111 -12.053 -3.195 1.00 0.00 O ATOM 250 CB LYS A 14 -8.681 -13.778 -4.496 1.00 0.00 C ATOM 251 CG LYS A 14 -9.322 -12.565 -3.816 1.00 0.00 C ATOM 252 CD LYS A 14 -9.402 -11.343 -4.737 1.00 0.00 C ATOM 253 CE LYS A 14 -10.042 -10.181 -3.979 1.00 0.00 C ATOM 254 NZ LYS A 14 -10.167 -9.023 -4.838 1.00 0.00 N ATOM 0 H LYS A 14 -7.321 -13.938 -2.075 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.764 -14.627 -4.908 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.786 -13.675 -5.576 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.228 -14.676 -4.207 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -10.325 -12.829 -3.482 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.748 -12.307 -2.926 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.405 -11.065 -5.078 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.988 -11.580 -5.625 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.025 -10.476 -3.611 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.437 -9.931 -3.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.224 -8.163 -4.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.338 -8.963 -5.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.029 -9.109 -5.414 1.00 0.00 H new ATOM 267 N ARG A 15 -6.055 -12.220 -5.440 1.00 0.00 N ATOM 268 CA ARG A 15 -5.277 -11.004 -5.672 1.00 0.00 C ATOM 269 C ARG A 15 -6.200 -9.805 -5.863 1.00 0.00 C ATOM 270 O ARG A 15 -6.794 -9.651 -6.927 1.00 0.00 O ATOM 271 CB ARG A 15 -4.369 -11.145 -6.902 1.00 0.00 C ATOM 272 CG ARG A 15 -3.041 -11.818 -6.538 1.00 0.00 C ATOM 273 CD ARG A 15 -2.047 -11.865 -7.701 1.00 0.00 C ATOM 274 NE ARG A 15 -1.731 -10.520 -8.213 1.00 0.00 N ATOM 275 CZ ARG A 15 -0.520 -10.035 -8.540 1.00 0.00 C ATOM 276 NH1 ARG A 15 0.600 -10.756 -8.379 1.00 0.00 N ATOM 277 NH2 ARG A 15 -0.432 -8.796 -9.045 1.00 0.00 N ATOM 0 H ARG A 15 -6.314 -12.706 -6.299 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.652 -10.847 -4.793 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.878 -11.730 -7.668 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.176 -10.161 -7.329 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.588 -11.284 -5.703 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.238 -12.834 -6.197 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.129 -12.353 -7.374 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.460 -12.472 -8.507 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.520 -9.885 -8.333 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.548 -11.701 -7.999 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.504 -10.359 -8.637 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.275 -8.237 -9.176 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.478 -8.412 -9.299 1.00 0.00 H new ATOM 291 N MET A 16 -6.277 -8.930 -4.858 1.00 0.00 N ATOM 292 CA MET A 16 -6.930 -7.642 -4.992 1.00 0.00 C ATOM 293 C MET A 16 -5.935 -6.637 -5.584 1.00 0.00 C ATOM 294 O MET A 16 -5.153 -6.019 -4.866 1.00 0.00 O ATOM 295 CB MET A 16 -7.495 -7.178 -3.649 1.00 0.00 C ATOM 296 CG MET A 16 -6.591 -7.354 -2.429 1.00 0.00 C ATOM 297 SD MET A 16 -7.102 -6.444 -0.954 1.00 0.00 S ATOM 298 CE MET A 16 -7.147 -4.752 -1.616 1.00 0.00 C ATOM 0 H MET A 16 -5.886 -9.102 -3.932 1.00 0.00 H new ATOM 0 HA MET A 16 -7.778 -7.724 -5.671 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.751 -6.122 -3.734 1.00 0.00 H new ATOM 0 HB3 MET A 16 -8.424 -7.718 -3.465 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.542 -8.415 -2.183 1.00 0.00 H new ATOM 0 HG3 MET A 16 -5.581 -7.042 -2.697 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.795 -4.054 -0.856 1.00 0.00 H new ATOM 0 HE2 MET A 16 -6.504 -4.687 -2.493 1.00 0.00 H new ATOM 0 HE3 MET A 16 -8.169 -4.498 -1.896 1.00 0.00 H new ATOM 308 N TYR A 17 -5.973 -6.472 -6.907 1.00 0.00 N ATOM 309 CA TYR A 17 -5.132 -5.526 -7.624 1.00 0.00 C ATOM 310 C TYR A 17 -5.864 -4.194 -7.701 1.00 0.00 C ATOM 311 O TYR A 17 -6.625 -3.952 -8.636 1.00 0.00 O ATOM 312 CB TYR A 17 -4.778 -6.070 -9.015 1.00 0.00 C ATOM 313 CG TYR A 17 -3.936 -5.108 -9.837 1.00 0.00 C ATOM 314 CD1 TYR A 17 -2.680 -4.704 -9.353 1.00 0.00 C ATOM 315 CD2 TYR A 17 -4.453 -4.515 -11.004 1.00 0.00 C ATOM 316 CE1 TYR A 17 -1.941 -3.723 -10.032 1.00 0.00 C ATOM 317 CE2 TYR A 17 -3.721 -3.523 -11.679 1.00 0.00 C ATOM 318 CZ TYR A 17 -2.447 -3.150 -11.211 1.00 0.00 C ATOM 319 OH TYR A 17 -1.705 -2.231 -11.892 1.00 0.00 O ATOM 0 H TYR A 17 -6.599 -7.001 -7.514 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.190 -5.379 -7.096 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.239 -7.011 -8.904 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.698 -6.292 -9.556 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.282 -5.151 -8.454 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.416 -4.824 -11.382 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.982 -3.408 -9.648 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.136 -3.048 -12.556 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.199 -1.934 -12.685 1.00 0.00 H new ATOM 329 N ALA A 18 -5.649 -3.339 -6.698 1.00 0.00 N ATOM 330 CA ALA A 18 -6.405 -2.111 -6.550 1.00 0.00 C ATOM 331 C ALA A 18 -5.622 -0.916 -7.072 1.00 0.00 C ATOM 332 O ALA A 18 -4.692 -0.431 -6.435 1.00 0.00 O ATOM 333 CB ALA A 18 -6.845 -1.935 -5.105 1.00 0.00 C ATOM 0 H ALA A 18 -4.947 -3.485 -5.973 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.306 -2.176 -7.159 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.412 -1.009 -5.007 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.472 -2.777 -4.810 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.967 -1.893 -4.460 1.00 0.00 H new ATOM 339 N ARG A 19 -6.039 -0.442 -8.244 1.00 0.00 N ATOM 340 CA ARG A 19 -5.502 0.742 -8.889 1.00 0.00 C ATOM 341 C ARG A 19 -6.202 1.974 -8.326 1.00 0.00 C ATOM 342 O ARG A 19 -7.344 2.259 -8.683 1.00 0.00 O ATOM 343 CB ARG A 19 -5.672 0.632 -10.413 1.00 0.00 C ATOM 344 CG ARG A 19 -4.551 -0.201 -11.038 1.00 0.00 C ATOM 345 CD ARG A 19 -3.213 0.555 -11.003 1.00 0.00 C ATOM 346 NE ARG A 19 -2.809 1.086 -12.312 1.00 0.00 N ATOM 347 CZ ARG A 19 -1.796 1.952 -12.493 1.00 0.00 C ATOM 348 NH1 ARG A 19 -1.076 2.390 -11.449 1.00 0.00 N ATOM 349 NH2 ARG A 19 -1.514 2.397 -13.724 1.00 0.00 N ATOM 0 H ARG A 19 -6.782 -0.888 -8.782 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.435 0.832 -8.687 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.636 0.178 -10.642 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.676 1.629 -10.854 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.453 -1.145 -10.502 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.807 -0.445 -12.069 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.288 1.378 -10.292 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.435 -0.114 -10.635 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.329 0.779 -13.134 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.295 2.066 -10.507 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.310 3.047 -11.598 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.067 2.079 -14.520 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.747 3.054 -13.865 1.00 0.00 H new ATOM 363 N VAL A 20 -5.506 2.692 -7.435 1.00 0.00 N ATOM 364 CA VAL A 20 -6.049 3.850 -6.736 1.00 0.00 C ATOM 365 C VAL A 20 -5.578 5.120 -7.447 1.00 0.00 C ATOM 366 O VAL A 20 -4.396 5.456 -7.401 1.00 0.00 O ATOM 367 CB VAL A 20 -5.657 3.823 -5.247 1.00 0.00 C ATOM 368 CG1 VAL A 20 -6.432 4.909 -4.489 1.00 0.00 C ATOM 369 CG2 VAL A 20 -5.965 2.454 -4.623 1.00 0.00 C ATOM 0 H VAL A 20 -4.542 2.478 -7.181 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.138 3.829 -6.762 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.585 4.008 -5.173 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.152 4.887 -3.436 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.193 5.886 -4.908 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.502 4.726 -4.584 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.679 2.461 -3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.032 2.247 -4.708 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.403 1.681 -5.147 1.00 0.00 H new ATOM 379 N TYR A 21 -6.499 5.811 -8.132 1.00 0.00 N ATOM 380 CA TYR A 21 -6.189 6.976 -8.949 1.00 0.00 C ATOM 381 C TYR A 21 -6.599 8.263 -8.246 1.00 0.00 C ATOM 382 O TYR A 21 -7.685 8.332 -7.668 1.00 0.00 O ATOM 383 CB TYR A 21 -6.936 6.878 -10.283 1.00 0.00 C ATOM 384 CG TYR A 21 -6.571 5.716 -11.197 1.00 0.00 C ATOM 385 CD1 TYR A 21 -5.390 4.971 -11.021 1.00 0.00 C ATOM 386 CD2 TYR A 21 -7.425 5.408 -12.271 1.00 0.00 C ATOM 387 CE1 TYR A 21 -5.060 3.946 -11.923 1.00 0.00 C ATOM 388 CE2 TYR A 21 -7.122 4.350 -13.145 1.00 0.00 C ATOM 389 CZ TYR A 21 -5.942 3.611 -12.963 1.00 0.00 C ATOM 390 OH TYR A 21 -5.658 2.562 -13.790 1.00 0.00 O ATOM 0 H TYR A 21 -7.490 5.568 -8.130 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.112 6.997 -9.118 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.003 6.819 -10.070 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.772 7.805 -10.832 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.735 5.188 -10.190 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -8.322 5.990 -12.426 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.126 3.414 -11.816 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.795 4.106 -13.954 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.372 2.466 -14.454 1.00 0.00 H new ATOM 400 N GLY A 22 -5.747 9.290 -8.360 1.00 0.00 N ATOM 401 CA GLY A 22 -6.061 10.643 -7.944 1.00 0.00 C ATOM 402 C GLY A 22 -4.828 11.383 -7.448 1.00 0.00 C ATOM 403 O GLY A 22 -3.707 11.053 -7.825 1.00 0.00 O ATOM 0 H GLY A 22 -4.810 9.192 -8.751 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.500 11.188 -8.780 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.811 10.615 -7.153 1.00 0.00 H new ATOM 407 N LEU A 23 -5.047 12.358 -6.558 1.00 0.00 N ATOM 408 CA LEU A 23 -3.993 13.135 -5.918 1.00 0.00 C ATOM 409 C LEU A 23 -3.401 12.378 -4.717 1.00 0.00 C ATOM 410 O LEU A 23 -2.784 12.982 -3.843 1.00 0.00 O ATOM 411 CB LEU A 23 -4.575 14.498 -5.522 1.00 0.00 C ATOM 412 CG LEU A 23 -3.538 15.615 -5.313 1.00 0.00 C ATOM 413 CD1 LEU A 23 -3.000 16.141 -6.650 1.00 0.00 C ATOM 414 CD2 LEU A 23 -4.193 16.773 -4.551 1.00 0.00 C ATOM 0 H LEU A 23 -5.984 12.630 -6.260 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.165 13.293 -6.610 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.276 14.814 -6.294 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.147 14.378 -4.602 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.704 15.202 -4.746 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.270 16.929 -6.464 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.524 15.327 -7.196 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.823 16.542 -7.241 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.463 17.568 -4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.034 17.158 -5.127 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.548 16.417 -3.584 1.00 0.00 H new ATOM 426 N VAL A 24 -3.572 11.052 -4.671 1.00 0.00 N ATOM 427 CA VAL A 24 -3.169 10.185 -3.566 1.00 0.00 C ATOM 428 C VAL A 24 -1.669 9.841 -3.619 1.00 0.00 C ATOM 429 O VAL A 24 -1.268 8.731 -3.269 1.00 0.00 O ATOM 430 CB VAL A 24 -4.061 8.926 -3.569 1.00 0.00 C ATOM 431 CG1 VAL A 24 -5.524 9.253 -3.244 1.00 0.00 C ATOM 432 CG2 VAL A 24 -4.011 8.198 -4.917 1.00 0.00 C ATOM 0 H VAL A 24 -4.012 10.537 -5.433 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.312 10.715 -2.624 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.660 8.278 -2.790 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.113 8.336 -3.258 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.584 9.708 -2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.916 9.947 -3.988 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.652 7.317 -4.879 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.359 8.866 -5.705 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.986 7.892 -5.128 1.00 0.00 H new ATOM 442 N GLN A 25 -0.832 10.793 -4.050 1.00 0.00 N ATOM 443 CA GLN A 25 0.584 10.571 -4.291 1.00 0.00 C ATOM 444 C GLN A 25 1.403 10.997 -3.075 1.00 0.00 C ATOM 445 O GLN A 25 1.628 12.184 -2.849 1.00 0.00 O ATOM 446 CB GLN A 25 1.012 11.299 -5.568 1.00 0.00 C ATOM 447 CG GLN A 25 1.906 10.391 -6.413 1.00 0.00 C ATOM 448 CD GLN A 25 1.146 9.188 -6.974 1.00 0.00 C ATOM 449 OE1 GLN A 25 0.082 9.345 -7.561 1.00 0.00 O ATOM 450 NE2 GLN A 25 1.681 7.981 -6.800 1.00 0.00 N ATOM 0 H GLN A 25 -1.131 11.749 -4.241 1.00 0.00 H new ATOM 0 HA GLN A 25 0.770 9.507 -4.441 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.133 11.593 -6.141 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.546 12.214 -5.313 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.330 10.966 -7.236 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.741 10.040 -5.806 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.568 7.883 -6.307 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.203 7.155 -7.160 1.00 0.00 H new ATOM 459 N GLY A 26 1.834 10.007 -2.292 1.00 0.00 N ATOM 460 CA GLY A 26 2.605 10.199 -1.073 1.00 0.00 C ATOM 461 C GLY A 26 1.919 11.157 -0.097 1.00 0.00 C ATOM 462 O GLY A 26 2.558 12.076 0.413 1.00 0.00 O ATOM 0 H GLY A 26 1.649 9.025 -2.498 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.757 9.236 -0.586 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.591 10.587 -1.327 1.00 0.00 H new ATOM 466 N VAL A 27 0.624 10.939 0.165 1.00 0.00 N ATOM 467 CA VAL A 27 -0.169 11.761 1.072 1.00 0.00 C ATOM 468 C VAL A 27 -1.207 10.882 1.781 1.00 0.00 C ATOM 469 O VAL A 27 -2.303 10.666 1.267 1.00 0.00 O ATOM 470 CB VAL A 27 -0.756 12.987 0.336 1.00 0.00 C ATOM 471 CG1 VAL A 27 -1.449 12.664 -0.997 1.00 0.00 C ATOM 472 CG2 VAL A 27 -1.702 13.789 1.240 1.00 0.00 C ATOM 0 H VAL A 27 0.095 10.175 -0.256 1.00 0.00 H new ATOM 0 HA VAL A 27 0.462 12.184 1.854 1.00 0.00 H new ATOM 0 HB VAL A 27 0.113 13.595 0.086 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.830 13.584 -1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.733 12.202 -1.677 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.277 11.977 -0.820 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.095 14.643 0.689 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.527 13.152 1.559 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.157 14.142 2.115 1.00 0.00 H new ATOM 482 N GLY A 28 -0.845 10.379 2.972 1.00 0.00 N ATOM 483 CA GLY A 28 -1.706 9.595 3.851 1.00 0.00 C ATOM 484 C GLY A 28 -1.932 8.179 3.321 1.00 0.00 C ATOM 485 O GLY A 28 -1.457 7.208 3.908 1.00 0.00 O ATOM 0 H GLY A 28 0.090 10.516 3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.259 9.543 4.844 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.667 10.098 3.960 1.00 0.00 H new ATOM 489 N PHE A 29 -2.676 8.101 2.214 1.00 0.00 N ATOM 490 CA PHE A 29 -3.121 6.926 1.482 1.00 0.00 C ATOM 491 C PHE A 29 -2.200 5.706 1.589 1.00 0.00 C ATOM 492 O PHE A 29 -2.609 4.678 2.125 1.00 0.00 O ATOM 493 CB PHE A 29 -3.315 7.337 0.016 1.00 0.00 C ATOM 494 CG PHE A 29 -3.528 6.163 -0.909 1.00 0.00 C ATOM 495 CD1 PHE A 29 -4.631 5.316 -0.703 1.00 0.00 C ATOM 496 CD2 PHE A 29 -2.494 5.772 -1.781 1.00 0.00 C ATOM 497 CE1 PHE A 29 -4.695 4.077 -1.358 1.00 0.00 C ATOM 498 CE2 PHE A 29 -2.563 4.534 -2.436 1.00 0.00 C ATOM 499 CZ PHE A 29 -3.670 3.700 -2.240 1.00 0.00 C ATOM 0 H PHE A 29 -3.014 8.953 1.767 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.053 6.592 1.938 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.171 8.008 -0.056 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.442 7.898 -0.316 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.429 5.619 -0.041 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.649 6.424 -1.945 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.531 3.415 -1.184 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.762 4.224 -3.091 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.736 2.761 -2.770 1.00 0.00 H new ATOM 509 N ARG A 30 -0.987 5.795 1.030 1.00 0.00 N ATOM 510 CA ARG A 30 -0.084 4.656 0.903 1.00 0.00 C ATOM 511 C ARG A 30 0.288 4.067 2.269 1.00 0.00 C ATOM 512 O ARG A 30 0.492 2.860 2.384 1.00 0.00 O ATOM 513 CB ARG A 30 1.129 5.029 0.035 1.00 0.00 C ATOM 514 CG ARG A 30 2.001 6.161 0.599 1.00 0.00 C ATOM 515 CD ARG A 30 3.202 5.631 1.389 1.00 0.00 C ATOM 516 NE ARG A 30 3.930 6.735 2.026 1.00 0.00 N ATOM 517 CZ ARG A 30 5.013 6.596 2.809 1.00 0.00 C ATOM 518 NH1 ARG A 30 5.555 5.391 3.027 1.00 0.00 N ATOM 519 NH2 ARG A 30 5.554 7.681 3.378 1.00 0.00 N ATOM 0 H ARG A 30 -0.608 6.664 0.653 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.604 3.851 0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.750 4.143 -0.097 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.775 5.320 -0.954 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.355 6.786 -0.220 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.395 6.796 1.246 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.862 4.926 2.148 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.870 5.085 0.723 1.00 0.00 H new ATOM 0 HE ARG A 30 3.587 7.681 1.861 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.146 4.562 2.596 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.377 5.302 3.624 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.144 8.601 3.215 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.376 7.588 3.974 1.00 0.00 H new ATOM 533 N LYS A 31 0.327 4.911 3.308 1.00 0.00 N ATOM 534 CA LYS A 31 0.531 4.498 4.684 1.00 0.00 C ATOM 535 C LYS A 31 -0.777 3.934 5.263 1.00 0.00 C ATOM 536 O LYS A 31 -0.754 2.928 5.962 1.00 0.00 O ATOM 537 CB LYS A 31 1.065 5.688 5.497 1.00 0.00 C ATOM 538 CG LYS A 31 2.132 5.304 6.533 1.00 0.00 C ATOM 539 CD LYS A 31 1.586 4.418 7.662 1.00 0.00 C ATOM 540 CE LYS A 31 2.608 4.238 8.790 1.00 0.00 C ATOM 541 NZ LYS A 31 2.811 5.487 9.502 1.00 0.00 N ATOM 0 H LYS A 31 0.214 5.919 3.203 1.00 0.00 H new ATOM 0 HA LYS A 31 1.273 3.701 4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.486 6.424 4.812 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.232 6.169 6.009 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.946 4.781 6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.554 6.212 6.964 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.675 4.862 8.064 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.314 3.442 7.259 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.261 3.471 9.483 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.555 3.891 8.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.251 5.293 10.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.433 6.107 8.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.894 5.956 9.648 1.00 0.00 H new ATOM 554 N PHE A 32 -1.928 4.559 4.979 1.00 0.00 N ATOM 555 CA PHE A 32 -3.217 4.094 5.484 1.00 0.00 C ATOM 556 C PHE A 32 -3.464 2.626 5.115 1.00 0.00 C ATOM 557 O PHE A 32 -3.807 1.815 5.975 1.00 0.00 O ATOM 558 CB PHE A 32 -4.345 4.984 4.943 1.00 0.00 C ATOM 559 CG PHE A 32 -5.743 4.762 5.511 1.00 0.00 C ATOM 560 CD1 PHE A 32 -5.965 4.008 6.683 1.00 0.00 C ATOM 561 CD2 PHE A 32 -6.831 5.409 4.895 1.00 0.00 C ATOM 562 CE1 PHE A 32 -7.252 3.914 7.236 1.00 0.00 C ATOM 563 CE2 PHE A 32 -8.110 5.350 5.474 1.00 0.00 C ATOM 564 CZ PHE A 32 -8.322 4.603 6.644 1.00 0.00 C ATOM 0 H PHE A 32 -1.987 5.394 4.397 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.202 4.162 6.572 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.070 6.024 5.121 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.394 4.848 3.863 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.139 3.500 7.158 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.682 5.953 3.974 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.419 3.312 8.117 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.932 5.881 5.018 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.306 4.559 7.087 1.00 0.00 H new ATOM 574 N VAL A 33 -3.264 2.275 3.839 1.00 0.00 N ATOM 575 CA VAL A 33 -3.403 0.895 3.390 1.00 0.00 C ATOM 576 C VAL A 33 -2.386 -0.031 4.064 1.00 0.00 C ATOM 577 O VAL A 33 -2.691 -1.205 4.249 1.00 0.00 O ATOM 578 CB VAL A 33 -3.378 0.761 1.855 1.00 0.00 C ATOM 579 CG1 VAL A 33 -4.556 1.499 1.208 1.00 0.00 C ATOM 580 CG2 VAL A 33 -2.066 1.239 1.223 1.00 0.00 C ATOM 0 H VAL A 33 -3.005 2.932 3.103 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.394 0.569 3.707 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.465 -0.308 1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.507 1.384 0.125 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.493 1.081 1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.506 2.558 1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.117 1.116 0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.909 2.291 1.462 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.237 0.650 1.616 1.00 0.00 H new ATOM 590 N GLN A 34 -1.215 0.488 4.464 1.00 0.00 N ATOM 591 CA GLN A 34 -0.227 -0.268 5.225 1.00 0.00 C ATOM 592 C GLN A 34 -0.832 -0.739 6.543 1.00 0.00 C ATOM 593 O GLN A 34 -0.890 -1.943 6.764 1.00 0.00 O ATOM 594 CB GLN A 34 1.052 0.559 5.454 1.00 0.00 C ATOM 595 CG GLN A 34 2.238 -0.259 5.976 1.00 0.00 C ATOM 596 CD GLN A 34 2.902 -1.154 4.938 1.00 0.00 C ATOM 597 OE1 GLN A 34 3.878 -1.825 5.260 1.00 0.00 O ATOM 598 NE2 GLN A 34 2.398 -1.169 3.702 1.00 0.00 N ATOM 0 H GLN A 34 -0.932 1.448 4.265 1.00 0.00 H new ATOM 0 HA GLN A 34 0.060 -1.146 4.647 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.337 1.035 4.516 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.834 1.357 6.163 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.986 0.426 6.376 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.897 -0.879 6.805 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.585 -0.596 3.476 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.826 -1.754 2.984 1.00 0.00 H new ATOM 607 N ILE A 35 -1.286 0.184 7.402 1.00 0.00 N ATOM 608 CA ILE A 35 -1.829 -0.146 8.719 1.00 0.00 C ATOM 609 C ILE A 35 -2.817 -1.302 8.652 1.00 0.00 C ATOM 610 O ILE A 35 -2.641 -2.296 9.351 1.00 0.00 O ATOM 611 CB ILE A 35 -2.498 1.099 9.345 1.00 0.00 C ATOM 612 CG1 ILE A 35 -1.537 2.285 9.544 1.00 0.00 C ATOM 613 CG2 ILE A 35 -3.193 0.752 10.673 1.00 0.00 C ATOM 614 CD1 ILE A 35 -0.358 1.989 10.473 1.00 0.00 C ATOM 0 H ILE A 35 -1.285 1.183 7.198 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.999 -0.463 9.350 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.245 1.421 8.620 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.151 2.592 8.572 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.098 3.129 9.945 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.654 1.649 11.088 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.960 -0.002 10.496 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.458 0.363 11.377 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.269 2.876 10.559 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.732 1.712 11.459 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.230 1.167 10.064 1.00 0.00 H new ATOM 626 N HIS A 36 -3.854 -1.174 7.822 1.00 0.00 N ATOM 627 CA HIS A 36 -4.910 -2.166 7.779 1.00 0.00 C ATOM 628 C HIS A 36 -4.410 -3.464 7.144 1.00 0.00 C ATOM 629 O HIS A 36 -4.691 -4.532 7.677 1.00 0.00 O ATOM 630 CB HIS A 36 -6.163 -1.590 7.125 1.00 0.00 C ATOM 631 CG HIS A 36 -6.947 -0.709 8.070 1.00 0.00 C ATOM 632 ND1 HIS A 36 -8.193 -1.110 8.552 1.00 0.00 N ATOM 633 CD2 HIS A 36 -6.624 0.498 8.639 1.00 0.00 C ATOM 634 CE1 HIS A 36 -8.579 -0.131 9.374 1.00 0.00 C ATOM 635 NE2 HIS A 36 -7.673 0.854 9.463 1.00 0.00 N ATOM 0 H HIS A 36 -3.978 -0.394 7.176 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.203 -2.432 8.795 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -5.879 -1.013 6.245 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.798 -2.406 6.780 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.719 1.063 8.473 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -9.518 -0.132 9.908 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -7.745 1.700 10.028 1.00 0.00 H new ATOM 643 N ALA A 37 -3.638 -3.391 6.052 1.00 0.00 N ATOM 644 CA ALA A 37 -2.992 -4.559 5.457 1.00 0.00 C ATOM 645 C ALA A 37 -2.206 -5.381 6.486 1.00 0.00 C ATOM 646 O ALA A 37 -2.359 -6.596 6.566 1.00 0.00 O ATOM 647 CB ALA A 37 -2.044 -4.100 4.346 1.00 0.00 C ATOM 0 H ALA A 37 -3.446 -2.519 5.559 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.777 -5.200 5.056 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.560 -4.968 3.899 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.610 -3.567 3.582 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.286 -3.438 4.765 1.00 0.00 H new ATOM 653 N ILE A 38 -1.359 -4.701 7.264 1.00 0.00 N ATOM 654 CA ILE A 38 -0.478 -5.280 8.269 1.00 0.00 C ATOM 655 C ILE A 38 -1.277 -5.781 9.475 1.00 0.00 C ATOM 656 O ILE A 38 -0.944 -6.829 10.027 1.00 0.00 O ATOM 657 CB ILE A 38 0.632 -4.261 8.620 1.00 0.00 C ATOM 658 CG1 ILE A 38 1.878 -4.500 7.744 1.00 0.00 C ATOM 659 CG2 ILE A 38 1.053 -4.276 10.095 1.00 0.00 C ATOM 660 CD1 ILE A 38 1.598 -4.461 6.239 1.00 0.00 C ATOM 0 H ILE A 38 -1.269 -3.687 7.204 1.00 0.00 H new ATOM 0 HA ILE A 38 0.020 -6.166 7.874 1.00 0.00 H new ATOM 0 HB ILE A 38 0.197 -3.281 8.422 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.628 -3.746 7.983 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.308 -5.469 7.998 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.834 -3.534 10.258 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.193 -4.041 10.721 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.432 -5.264 10.355 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.524 -4.638 5.692 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.873 -5.234 5.984 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.198 -3.484 5.969 1.00 0.00 H new ATOM 672 N ARG A 39 -2.341 -5.072 9.867 1.00 0.00 N ATOM 673 CA ARG A 39 -3.242 -5.518 10.914 1.00 0.00 C ATOM 674 C ARG A 39 -3.990 -6.796 10.519 1.00 0.00 C ATOM 675 O ARG A 39 -4.110 -7.709 11.333 1.00 0.00 O ATOM 676 CB ARG A 39 -4.168 -4.351 11.277 1.00 0.00 C ATOM 677 CG ARG A 39 -4.913 -4.568 12.590 1.00 0.00 C ATOM 678 CD ARG A 39 -6.289 -5.215 12.393 1.00 0.00 C ATOM 679 NE ARG A 39 -6.894 -5.596 13.676 1.00 0.00 N ATOM 680 CZ ARG A 39 -7.496 -4.761 14.541 1.00 0.00 C ATOM 681 NH1 ARG A 39 -7.601 -3.451 14.277 1.00 0.00 N ATOM 682 NH2 ARG A 39 -7.997 -5.250 15.683 1.00 0.00 N ATOM 0 H ARG A 39 -2.595 -4.171 9.461 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.678 -5.799 11.803 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.580 -3.436 11.346 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.891 -4.205 10.475 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.311 -5.198 13.244 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.036 -3.610 13.095 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.947 -4.520 11.871 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.190 -6.097 11.760 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.854 -6.582 13.934 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.221 -3.074 13.409 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.061 -2.832 14.944 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.920 -6.246 15.889 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.456 -4.626 16.347 1.00 0.00 H new ATOM 696 N LEU A 40 -4.501 -6.860 9.286 1.00 0.00 N ATOM 697 CA LEU A 40 -5.396 -7.916 8.829 1.00 0.00 C ATOM 698 C LEU A 40 -4.662 -9.105 8.198 1.00 0.00 C ATOM 699 O LEU A 40 -5.251 -10.177 8.074 1.00 0.00 O ATOM 700 CB LEU A 40 -6.429 -7.320 7.871 1.00 0.00 C ATOM 701 CG LEU A 40 -7.299 -6.253 8.563 1.00 0.00 C ATOM 702 CD1 LEU A 40 -8.090 -5.513 7.490 1.00 0.00 C ATOM 703 CD2 LEU A 40 -8.269 -6.865 9.582 1.00 0.00 C ATOM 0 H LEU A 40 -4.298 -6.165 8.568 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.900 -8.325 9.704 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.919 -6.875 7.016 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.067 -8.114 7.484 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.643 -5.575 9.110 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.714 -4.752 7.958 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.400 -5.038 6.792 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.722 -6.219 6.952 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.860 -6.073 10.043 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.933 -7.566 9.077 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.704 -7.391 10.352 1.00 0.00 H new ATOM 715 N GLY A 41 -3.393 -8.935 7.812 1.00 0.00 N ATOM 716 CA GLY A 41 -2.570 -9.997 7.252 1.00 0.00 C ATOM 717 C GLY A 41 -2.727 -10.068 5.734 1.00 0.00 C ATOM 718 O GLY A 41 -3.239 -11.054 5.207 1.00 0.00 O ATOM 0 H GLY A 41 -2.908 -8.041 7.883 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.524 -9.824 7.505 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.851 -10.952 7.695 1.00 0.00 H new ATOM 722 N ILE A 42 -2.266 -9.019 5.043 1.00 0.00 N ATOM 723 CA ILE A 42 -2.260 -8.893 3.592 1.00 0.00 C ATOM 724 C ILE A 42 -0.817 -8.756 3.126 1.00 0.00 C ATOM 725 O ILE A 42 -0.026 -8.052 3.755 1.00 0.00 O ATOM 726 CB ILE A 42 -3.052 -7.649 3.170 1.00 0.00 C ATOM 727 CG1 ILE A 42 -4.515 -7.717 3.619 1.00 0.00 C ATOM 728 CG2 ILE A 42 -2.939 -7.327 1.673 1.00 0.00 C ATOM 729 CD1 ILE A 42 -5.365 -8.794 2.946 1.00 0.00 C ATOM 0 H ILE A 42 -1.870 -8.201 5.507 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.722 -9.773 3.144 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.582 -6.817 3.694 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.538 -7.882 4.696 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.978 -6.747 3.435 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.524 -6.436 1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.894 -7.150 1.417 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.318 -8.167 1.091 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.381 -8.753 3.338 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.384 -8.623 1.870 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.937 -9.776 3.150 1.00 0.00 H new ATOM 741 N LYS A 43 -0.498 -9.421 2.013 1.00 0.00 N ATOM 742 CA LYS A 43 0.792 -9.359 1.344 1.00 0.00 C ATOM 743 C LYS A 43 0.611 -8.643 0.001 1.00 0.00 C ATOM 744 O LYS A 43 -0.508 -8.570 -0.502 1.00 0.00 O ATOM 745 CB LYS A 43 1.348 -10.771 1.133 1.00 0.00 C ATOM 746 CG LYS A 43 0.989 -11.779 2.230 1.00 0.00 C ATOM 747 CD LYS A 43 1.529 -11.375 3.609 1.00 0.00 C ATOM 748 CE LYS A 43 1.314 -12.497 4.624 1.00 0.00 C ATOM 749 NZ LYS A 43 -0.102 -12.730 4.838 1.00 0.00 N ATOM 0 H LYS A 43 -1.159 -10.038 1.541 1.00 0.00 H new ATOM 0 HA LYS A 43 1.504 -8.808 1.958 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.983 -11.150 0.179 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.434 -10.710 1.058 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.095 -11.879 2.284 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.386 -12.758 1.962 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.592 -11.143 3.535 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.028 -10.469 3.950 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.789 -13.412 4.269 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.792 -12.236 5.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.229 -13.384 5.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.574 -11.828 5.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.519 -13.145 3.981 1.00 0.00 H new ATOM 762 N GLY A 44 1.696 -8.121 -0.582 1.00 0.00 N ATOM 763 CA GLY A 44 1.657 -7.403 -1.853 1.00 0.00 C ATOM 764 C GLY A 44 2.689 -6.281 -1.865 1.00 0.00 C ATOM 765 O GLY A 44 3.830 -6.508 -1.471 1.00 0.00 O ATOM 0 H GLY A 44 2.631 -8.187 -0.179 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.852 -8.093 -2.673 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.661 -6.991 -2.014 1.00 0.00 H new ATOM 769 N TYR A 45 2.284 -5.079 -2.298 1.00 0.00 N ATOM 770 CA TYR A 45 3.077 -3.859 -2.239 1.00 0.00 C ATOM 771 C TYR A 45 2.223 -2.661 -2.669 1.00 0.00 C ATOM 772 O TYR A 45 1.439 -2.763 -3.613 1.00 0.00 O ATOM 773 CB TYR A 45 4.316 -3.955 -3.139 1.00 0.00 C ATOM 774 CG TYR A 45 5.599 -3.410 -2.550 1.00 0.00 C ATOM 775 CD1 TYR A 45 6.397 -4.238 -1.739 1.00 0.00 C ATOM 776 CD2 TYR A 45 6.046 -2.116 -2.881 1.00 0.00 C ATOM 777 CE1 TYR A 45 7.627 -3.773 -1.249 1.00 0.00 C ATOM 778 CE2 TYR A 45 7.275 -1.651 -2.380 1.00 0.00 C ATOM 779 CZ TYR A 45 8.052 -2.467 -1.542 1.00 0.00 C ATOM 780 OH TYR A 45 9.221 -1.998 -1.016 1.00 0.00 O ATOM 0 H TYR A 45 1.363 -4.932 -2.712 1.00 0.00 H new ATOM 0 HA TYR A 45 3.411 -3.724 -1.210 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.473 -5.002 -3.399 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.110 -3.423 -4.068 1.00 0.00 H new ATOM 0 HD1 TYR A 45 6.062 -5.235 -1.493 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.446 -1.483 -3.518 1.00 0.00 H new ATOM 0 HE1 TYR A 45 8.247 -4.420 -0.646 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.623 -0.662 -2.641 1.00 0.00 H new ATOM 0 HH TYR A 45 9.369 -1.078 -1.318 1.00 0.00 H new ATOM 790 N ALA A 46 2.405 -1.524 -1.988 1.00 0.00 N ATOM 791 CA ALA A 46 1.696 -0.275 -2.254 1.00 0.00 C ATOM 792 C ALA A 46 2.604 0.628 -3.072 1.00 0.00 C ATOM 793 O ALA A 46 3.306 1.477 -2.523 1.00 0.00 O ATOM 794 CB ALA A 46 1.287 0.398 -0.936 1.00 0.00 C ATOM 0 H ALA A 46 3.068 -1.449 -1.217 1.00 0.00 H new ATOM 0 HA ALA A 46 0.783 -0.473 -2.815 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.760 1.328 -1.150 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.633 -0.269 -0.375 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.178 0.614 -0.346 1.00 0.00 H new ATOM 800 N LYS A 47 2.627 0.405 -4.388 1.00 0.00 N ATOM 801 CA LYS A 47 3.683 0.925 -5.229 1.00 0.00 C ATOM 802 C LYS A 47 3.297 2.287 -5.803 1.00 0.00 C ATOM 803 O LYS A 47 2.690 2.378 -6.867 1.00 0.00 O ATOM 804 CB LYS A 47 4.099 -0.142 -6.240 1.00 0.00 C ATOM 805 CG LYS A 47 5.198 0.338 -7.194 1.00 0.00 C ATOM 806 CD LYS A 47 6.011 -0.810 -7.812 1.00 0.00 C ATOM 807 CE LYS A 47 5.221 -1.681 -8.798 1.00 0.00 C ATOM 808 NZ LYS A 47 4.393 -2.657 -8.112 1.00 0.00 N ATOM 0 H LYS A 47 1.919 -0.135 -4.886 1.00 0.00 H new ATOM 0 HA LYS A 47 4.583 1.136 -4.651 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.449 -1.025 -5.706 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.228 -0.445 -6.820 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.745 0.924 -7.993 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.873 1.003 -6.655 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.876 -0.392 -8.327 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.392 -1.443 -7.011 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.592 -1.045 -9.422 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.914 -2.196 -9.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.329 -3.522 -8.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.816 -2.883 -7.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.440 -2.265 -7.970 1.00 0.00 H new ATOM 821 N ASN A 48 3.642 3.340 -5.050 1.00 0.00 N ATOM 822 CA ASN A 48 3.241 4.721 -5.278 1.00 0.00 C ATOM 823 C ASN A 48 4.098 5.385 -6.362 1.00 0.00 C ATOM 824 O ASN A 48 4.921 6.247 -6.066 1.00 0.00 O ATOM 825 CB ASN A 48 3.269 5.460 -3.927 1.00 0.00 C ATOM 826 CG ASN A 48 2.508 6.787 -3.955 1.00 0.00 C ATOM 827 OD1 ASN A 48 3.077 7.831 -4.265 1.00 0.00 O ATOM 828 ND2 ASN A 48 1.216 6.757 -3.616 1.00 0.00 N ATOM 0 H ASN A 48 4.237 3.239 -4.228 1.00 0.00 H new ATOM 0 HA ASN A 48 2.224 4.763 -5.668 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.839 4.817 -3.159 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.305 5.647 -3.643 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.670 7.619 -3.609 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.775 5.872 -3.364 1.00 0.00 H new ATOM 835 N LEU A 49 3.884 4.998 -7.629 1.00 0.00 N ATOM 836 CA LEU A 49 4.571 5.561 -8.781 1.00 0.00 C ATOM 837 C LEU A 49 4.130 7.018 -8.939 1.00 0.00 C ATOM 838 O LEU A 49 2.936 7.242 -9.125 1.00 0.00 O ATOM 839 CB LEU A 49 4.230 4.787 -10.063 1.00 0.00 C ATOM 840 CG LEU A 49 4.281 3.261 -9.912 1.00 0.00 C ATOM 841 CD1 LEU A 49 2.849 2.711 -9.882 1.00 0.00 C ATOM 842 CD2 LEU A 49 5.039 2.615 -11.078 1.00 0.00 C ATOM 0 H LEU A 49 3.214 4.270 -7.877 1.00 0.00 H new ATOM 0 HA LEU A 49 5.647 5.494 -8.621 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.232 5.075 -10.392 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.923 5.086 -10.849 1.00 0.00 H new ATOM 0 HG LEU A 49 4.803 3.024 -8.985 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.878 1.627 -9.775 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.310 3.145 -9.040 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.340 2.970 -10.810 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.059 1.533 -10.944 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.538 2.855 -12.016 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.060 2.996 -11.104 1.00 0.00 H new ATOM 854 N PRO A 50 5.043 7.998 -8.845 1.00 0.00 N ATOM 855 CA PRO A 50 4.707 9.409 -8.699 1.00 0.00 C ATOM 856 C PRO A 50 4.155 10.002 -10.001 1.00 0.00 C ATOM 857 O PRO A 50 4.859 10.711 -10.716 1.00 0.00 O ATOM 858 CB PRO A 50 6.004 10.077 -8.228 1.00 0.00 C ATOM 859 CG PRO A 50 7.093 9.195 -8.839 1.00 0.00 C ATOM 860 CD PRO A 50 6.477 7.801 -8.737 1.00 0.00 C ATOM 0 HA PRO A 50 3.904 9.572 -7.980 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.077 11.107 -8.578 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.071 10.104 -7.140 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.308 9.470 -9.872 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.031 9.267 -8.288 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.844 7.151 -9.532 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.737 7.326 -7.791 1.00 0.00 H new ATOM 868 N ASP A 51 2.885 9.702 -10.306 1.00 0.00 N ATOM 869 CA ASP A 51 2.235 10.070 -11.559 1.00 0.00 C ATOM 870 C ASP A 51 0.704 9.959 -11.478 1.00 0.00 C ATOM 871 O ASP A 51 0.057 9.699 -12.491 1.00 0.00 O ATOM 872 CB ASP A 51 2.806 9.195 -12.690 1.00 0.00 C ATOM 873 CG ASP A 51 2.676 7.694 -12.414 1.00 0.00 C ATOM 874 OD1 ASP A 51 1.609 7.229 -12.016 1.00 0.00 O ATOM 875 OD2 ASP A 51 3.800 6.955 -12.631 1.00 0.00 O ATOM 0 H ASP A 51 2.274 9.187 -9.672 1.00 0.00 H new ATOM 0 HA ASP A 51 2.446 11.119 -11.767 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.291 9.433 -13.621 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.858 9.442 -12.836 1.00 0.00 H new ATOM 881 N GLY A 52 0.112 10.133 -10.291 1.00 0.00 N ATOM 882 CA GLY A 52 -1.328 10.044 -10.088 1.00 0.00 C ATOM 883 C GLY A 52 -1.815 8.603 -9.915 1.00 0.00 C ATOM 884 O GLY A 52 -2.662 8.335 -9.062 1.00 0.00 O ATOM 0 H GLY A 52 0.631 10.342 -9.438 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.603 10.624 -9.207 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.839 10.496 -10.938 1.00 0.00 H new ATOM 888 N SER A 53 -1.301 7.682 -10.741 1.00 0.00 N ATOM 889 CA SER A 53 -1.736 6.296 -10.797 1.00 0.00 C ATOM 890 C SER A 53 -0.837 5.410 -9.935 1.00 0.00 C ATOM 891 O SER A 53 0.105 4.795 -10.436 1.00 0.00 O ATOM 892 CB SER A 53 -1.756 5.834 -12.256 1.00 0.00 C ATOM 893 OG SER A 53 -2.649 6.628 -13.009 1.00 0.00 O ATOM 0 H SER A 53 -0.553 7.894 -11.402 1.00 0.00 H new ATOM 0 HA SER A 53 -2.745 6.213 -10.392 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.754 5.900 -12.679 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.056 4.787 -12.309 1.00 0.00 H new ATOM 0 HG SER A 53 -2.651 6.324 -13.941 1.00 0.00 H new ATOM 899 N VAL A 54 -1.170 5.312 -8.643 1.00 0.00 N ATOM 900 CA VAL A 54 -0.552 4.372 -7.714 1.00 0.00 C ATOM 901 C VAL A 54 -1.276 3.030 -7.789 1.00 0.00 C ATOM 902 O VAL A 54 -2.494 2.969 -7.620 1.00 0.00 O ATOM 903 CB VAL A 54 -0.493 4.922 -6.276 1.00 0.00 C ATOM 904 CG1 VAL A 54 -1.753 5.647 -5.799 1.00 0.00 C ATOM 905 CG2 VAL A 54 -0.182 3.793 -5.279 1.00 0.00 C ATOM 0 H VAL A 54 -1.888 5.894 -8.212 1.00 0.00 H new ATOM 0 HA VAL A 54 0.486 4.224 -8.013 1.00 0.00 H new ATOM 0 HB VAL A 54 0.303 5.666 -6.308 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.608 5.994 -4.776 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.949 6.501 -6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.601 4.963 -5.833 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.144 4.200 -4.269 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.961 3.033 -5.335 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.780 3.345 -5.526 1.00 0.00 H new ATOM 915 N GLU A 55 -0.516 1.954 -8.028 1.00 0.00 N ATOM 916 CA GLU A 55 -1.036 0.599 -7.988 1.00 0.00 C ATOM 917 C GLU A 55 -0.837 0.019 -6.592 1.00 0.00 C ATOM 918 O GLU A 55 0.242 0.150 -6.018 1.00 0.00 O ATOM 919 CB GLU A 55 -0.354 -0.273 -9.055 1.00 0.00 C ATOM 920 CG GLU A 55 1.069 -0.734 -8.723 1.00 0.00 C ATOM 921 CD GLU A 55 1.692 -1.460 -9.911 1.00 0.00 C ATOM 922 OE1 GLU A 55 1.762 -2.687 -9.902 1.00 0.00 O ATOM 923 OE2 GLU A 55 2.137 -0.667 -10.929 1.00 0.00 O ATOM 0 H GLU A 55 0.477 2.008 -8.254 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.103 0.615 -8.210 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.971 -1.155 -9.227 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.327 0.285 -9.991 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.682 0.126 -8.454 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.050 -1.395 -7.856 1.00 0.00 H new ATOM 931 N VAL A 56 -1.870 -0.640 -6.064 1.00 0.00 N ATOM 932 CA VAL A 56 -1.761 -1.460 -4.876 1.00 0.00 C ATOM 933 C VAL A 56 -1.972 -2.906 -5.296 1.00 0.00 C ATOM 934 O VAL A 56 -3.102 -3.387 -5.351 1.00 0.00 O ATOM 935 CB VAL A 56 -2.756 -1.007 -3.799 1.00 0.00 C ATOM 936 CG1 VAL A 56 -2.580 -1.857 -2.540 1.00 0.00 C ATOM 937 CG2 VAL A 56 -2.492 0.452 -3.422 1.00 0.00 C ATOM 0 H VAL A 56 -2.810 -0.613 -6.459 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.774 -1.358 -4.424 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.765 -1.118 -4.196 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.289 -1.531 -1.779 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.762 -2.905 -2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.564 -1.742 -2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.203 0.765 -2.657 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.477 0.550 -3.036 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.607 1.082 -4.304 1.00 0.00 H new ATOM 947 N VAL A 57 -0.865 -3.609 -5.556 1.00 0.00 N ATOM 948 CA VAL A 57 -0.884 -5.059 -5.572 1.00 0.00 C ATOM 949 C VAL A 57 -1.138 -5.481 -4.128 1.00 0.00 C ATOM 950 O VAL A 57 -0.390 -5.084 -3.243 1.00 0.00 O ATOM 951 CB VAL A 57 0.452 -5.614 -6.095 1.00 0.00 C ATOM 952 CG1 VAL A 57 0.402 -7.146 -6.100 1.00 0.00 C ATOM 953 CG2 VAL A 57 0.764 -5.123 -7.516 1.00 0.00 C ATOM 0 H VAL A 57 0.045 -3.193 -5.756 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.654 -5.449 -6.237 1.00 0.00 H new ATOM 0 HB VAL A 57 1.239 -5.255 -5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.348 -7.540 -6.471 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.231 -7.508 -5.086 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.409 -7.481 -6.747 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.716 -5.540 -7.844 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.026 -5.445 -8.194 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.824 -4.035 -7.520 1.00 0.00 H new ATOM 963 N ALA A 58 -2.204 -6.239 -3.873 1.00 0.00 N ATOM 964 CA ALA A 58 -2.543 -6.700 -2.536 1.00 0.00 C ATOM 965 C ALA A 58 -3.225 -8.055 -2.642 1.00 0.00 C ATOM 966 O ALA A 58 -3.798 -8.372 -3.683 1.00 0.00 O ATOM 967 CB ALA A 58 -3.440 -5.675 -1.841 1.00 0.00 C ATOM 0 H ALA A 58 -2.856 -6.549 -4.593 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.640 -6.808 -1.934 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.689 -6.028 -0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.916 -4.722 -1.769 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.356 -5.543 -2.417 1.00 0.00 H new ATOM 973 N GLU A 59 -3.128 -8.858 -1.578 1.00 0.00 N ATOM 974 CA GLU A 59 -3.613 -10.225 -1.585 1.00 0.00 C ATOM 975 C GLU A 59 -4.546 -10.469 -0.409 1.00 0.00 C ATOM 976 O GLU A 59 -4.101 -10.450 0.735 1.00 0.00 O ATOM 977 CB GLU A 59 -2.418 -11.188 -1.544 1.00 0.00 C ATOM 978 CG GLU A 59 -1.531 -10.995 -2.775 1.00 0.00 C ATOM 979 CD GLU A 59 -0.575 -12.165 -2.995 1.00 0.00 C ATOM 980 OE1 GLU A 59 0.446 -12.254 -2.315 1.00 0.00 O ATOM 981 OE2 GLU A 59 -0.932 -13.038 -3.979 1.00 0.00 O ATOM 0 H GLU A 59 -2.710 -8.571 -0.693 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.180 -10.401 -2.499 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.836 -11.016 -0.639 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.774 -12.217 -1.503 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.160 -10.873 -3.657 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.956 -10.076 -2.664 1.00 0.00 H new ATOM 989 N GLY A 60 -5.827 -10.712 -0.705 1.00 0.00 N ATOM 990 CA GLY A 60 -6.890 -10.923 0.261 1.00 0.00 C ATOM 991 C GLY A 60 -6.749 -12.232 1.034 1.00 0.00 C ATOM 992 O GLY A 60 -5.660 -12.644 1.414 1.00 0.00 O ATOM 0 H GLY A 60 -6.157 -10.768 -1.669 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.902 -10.092 0.966 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.849 -10.916 -0.257 1.00 0.00 H new ATOM 996 N TYR A 61 -7.895 -12.870 1.253 1.00 0.00 N ATOM 997 CA TYR A 61 -8.124 -14.152 1.879 1.00 0.00 C ATOM 998 C TYR A 61 -9.630 -14.426 1.807 1.00 0.00 C ATOM 999 O TYR A 61 -10.096 -14.974 0.809 1.00 0.00 O ATOM 1000 CB TYR A 61 -7.591 -14.154 3.314 1.00 0.00 C ATOM 1001 CG TYR A 61 -6.193 -14.713 3.509 1.00 0.00 C ATOM 1002 CD1 TYR A 61 -5.948 -16.082 3.294 1.00 0.00 C ATOM 1003 CD2 TYR A 61 -5.154 -13.884 3.975 1.00 0.00 C ATOM 1004 CE1 TYR A 61 -4.666 -16.613 3.513 1.00 0.00 C ATOM 1005 CE2 TYR A 61 -3.869 -14.412 4.184 1.00 0.00 C ATOM 1006 CZ TYR A 61 -3.623 -15.776 3.950 1.00 0.00 C ATOM 1007 OH TYR A 61 -2.373 -16.288 4.141 1.00 0.00 O ATOM 0 H TYR A 61 -8.777 -12.448 0.961 1.00 0.00 H new ATOM 0 HA TYR A 61 -7.588 -14.949 1.364 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -7.605 -13.130 3.686 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -8.279 -14.728 3.934 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.748 -16.726 2.960 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.346 -12.840 4.172 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -4.481 -17.664 3.346 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -3.070 -13.770 4.524 1.00 0.00 H new ATOM 0 HH TYR A 61 -1.770 -15.576 4.442 1.00 0.00 H new ATOM 1017 N GLU A 62 -10.391 -14.049 2.847 1.00 0.00 N ATOM 1018 CA GLU A 62 -11.808 -14.372 2.951 1.00 0.00 C ATOM 1019 C GLU A 62 -12.489 -13.508 4.017 1.00 0.00 C ATOM 1020 O GLU A 62 -13.369 -12.710 3.703 1.00 0.00 O ATOM 1021 CB GLU A 62 -11.966 -15.871 3.251 1.00 0.00 C ATOM 1022 CG GLU A 62 -13.143 -16.499 2.493 1.00 0.00 C ATOM 1023 CD GLU A 62 -14.484 -15.850 2.828 1.00 0.00 C ATOM 1024 OE1 GLU A 62 -14.798 -15.679 4.003 1.00 0.00 O ATOM 1025 OE2 GLU A 62 -15.255 -15.500 1.760 1.00 0.00 O ATOM 0 H GLU A 62 -10.033 -13.511 3.636 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.300 -14.153 2.003 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.046 -16.391 2.983 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.111 -16.011 4.322 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.963 -16.416 1.421 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -13.192 -17.563 2.726 1.00 0.00 H new ATOM 1033 N GLU A 63 -12.069 -13.658 5.278 1.00 0.00 N ATOM 1034 CA GLU A 63 -12.471 -12.783 6.359 1.00 0.00 C ATOM 1035 C GLU A 63 -11.651 -11.503 6.237 1.00 0.00 C ATOM 1036 O GLU A 63 -12.213 -10.414 6.127 1.00 0.00 O ATOM 1037 CB GLU A 63 -12.249 -13.493 7.699 1.00 0.00 C ATOM 1038 CG GLU A 63 -13.080 -14.776 7.796 1.00 0.00 C ATOM 1039 CD GLU A 63 -12.918 -15.435 9.163 1.00 0.00 C ATOM 1040 OE1 GLU A 63 -12.245 -16.457 9.266 1.00 0.00 O ATOM 1041 OE2 GLU A 63 -13.550 -14.816 10.201 1.00 0.00 O ATOM 0 H GLU A 63 -11.434 -14.401 5.569 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.530 -12.531 6.306 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.192 -13.733 7.815 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.515 -12.823 8.516 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.131 -14.546 7.622 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.773 -15.472 7.015 1.00 0.00 H new ATOM 1049 N ALA A 64 -10.319 -11.646 6.185 1.00 0.00 N ATOM 1050 CA ALA A 64 -9.421 -10.532 5.950 1.00 0.00 C ATOM 1051 C ALA A 64 -9.680 -9.894 4.589 1.00 0.00 C ATOM 1052 O ALA A 64 -9.432 -8.699 4.443 1.00 0.00 O ATOM 1053 CB ALA A 64 -7.965 -10.973 6.115 1.00 0.00 C ATOM 0 H ALA A 64 -9.845 -12.541 6.306 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.616 -9.764 6.699 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.305 -10.124 5.935 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.810 -11.345 7.128 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.741 -11.765 5.400 1.00 0.00 H new ATOM 1059 N LEU A 65 -10.215 -10.660 3.622 1.00 0.00 N ATOM 1060 CA LEU A 65 -10.630 -10.089 2.346 1.00 0.00 C ATOM 1061 C LEU A 65 -11.583 -8.921 2.591 1.00 0.00 C ATOM 1062 O LEU A 65 -11.195 -7.772 2.411 1.00 0.00 O ATOM 1063 CB LEU A 65 -11.260 -11.161 1.455 1.00 0.00 C ATOM 1064 CG LEU A 65 -11.818 -10.637 0.130 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -10.814 -9.790 -0.653 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -12.206 -11.844 -0.720 1.00 0.00 C ATOM 0 H LEU A 65 -10.366 -11.665 3.706 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.756 -9.708 1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.512 -11.925 1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.065 -11.647 2.007 1.00 0.00 H new ATOM 0 HG LEU A 65 -12.669 -9.994 0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.272 -9.449 -1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.521 -8.927 -0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.932 -10.389 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.608 -11.503 -1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.326 -12.462 -0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.961 -12.430 -0.196 1.00 0.00 H new ATOM 1078 N SER A 66 -12.816 -9.222 3.013 1.00 0.00 N ATOM 1079 CA SER A 66 -13.858 -8.234 3.237 1.00 0.00 C ATOM 1080 C SER A 66 -13.426 -7.145 4.209 1.00 0.00 C ATOM 1081 O SER A 66 -13.620 -5.970 3.911 1.00 0.00 O ATOM 1082 CB SER A 66 -15.117 -8.947 3.730 1.00 0.00 C ATOM 1083 OG SER A 66 -15.472 -9.975 2.830 1.00 0.00 O ATOM 0 H SER A 66 -13.115 -10.177 3.210 1.00 0.00 H new ATOM 0 HA SER A 66 -14.065 -7.730 2.293 1.00 0.00 H new ATOM 0 HB2 SER A 66 -14.944 -9.364 4.722 1.00 0.00 H new ATOM 0 HB3 SER A 66 -15.936 -8.234 3.823 1.00 0.00 H new ATOM 0 HG SER A 66 -16.278 -10.429 3.153 1.00 0.00 H new ATOM 1089 N LYS A 67 -12.840 -7.520 5.354 1.00 0.00 N ATOM 1090 CA LYS A 67 -12.424 -6.548 6.358 1.00 0.00 C ATOM 1091 C LYS A 67 -11.508 -5.482 5.747 1.00 0.00 C ATOM 1092 O LYS A 67 -11.671 -4.305 6.061 1.00 0.00 O ATOM 1093 CB LYS A 67 -11.767 -7.242 7.562 1.00 0.00 C ATOM 1094 CG LYS A 67 -12.758 -7.535 8.700 1.00 0.00 C ATOM 1095 CD LYS A 67 -13.903 -8.477 8.307 1.00 0.00 C ATOM 1096 CE LYS A 67 -14.848 -8.691 9.494 1.00 0.00 C ATOM 1097 NZ LYS A 67 -15.927 -9.585 9.115 1.00 0.00 N ATOM 0 H LYS A 67 -12.646 -8.490 5.602 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.315 -6.039 6.724 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.314 -8.177 7.233 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.962 -6.613 7.942 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.214 -7.972 9.538 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.181 -6.593 9.051 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.455 -8.058 7.465 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.499 -9.434 7.978 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.298 -9.109 10.337 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.255 -7.735 9.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.563 -9.725 9.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.460 -9.170 8.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.532 -10.502 8.823 1.00 0.00 H new ATOM 1110 N LEU A 68 -10.576 -5.875 4.864 1.00 0.00 N ATOM 1111 CA LEU A 68 -9.657 -4.940 4.234 1.00 0.00 C ATOM 1112 C LEU A 68 -10.340 -4.207 3.072 1.00 0.00 C ATOM 1113 O LEU A 68 -10.237 -2.988 2.972 1.00 0.00 O ATOM 1114 CB LEU A 68 -8.390 -5.699 3.823 1.00 0.00 C ATOM 1115 CG LEU A 68 -7.132 -4.861 3.525 1.00 0.00 C ATOM 1116 CD1 LEU A 68 -6.766 -4.975 2.047 1.00 0.00 C ATOM 1117 CD2 LEU A 68 -7.149 -3.379 3.909 1.00 0.00 C ATOM 0 H LEU A 68 -10.446 -6.844 4.575 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.361 -4.159 4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.146 -6.404 4.618 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.622 -6.287 2.935 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.388 -5.303 4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.876 -4.379 1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.568 -6.018 1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.593 -4.609 1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.197 -2.922 3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.957 -2.875 3.379 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.305 -3.283 4.984 1.00 0.00 H new ATOM 1129 N LEU A 69 -11.053 -4.929 2.202 1.00 0.00 N ATOM 1130 CA LEU A 69 -11.763 -4.331 1.077 1.00 0.00 C ATOM 1131 C LEU A 69 -12.656 -3.189 1.562 1.00 0.00 C ATOM 1132 O LEU A 69 -12.446 -2.037 1.186 1.00 0.00 O ATOM 1133 CB LEU A 69 -12.588 -5.416 0.358 1.00 0.00 C ATOM 1134 CG LEU A 69 -11.946 -5.942 -0.939 1.00 0.00 C ATOM 1135 CD1 LEU A 69 -12.109 -4.956 -2.103 1.00 0.00 C ATOM 1136 CD2 LEU A 69 -10.459 -6.272 -0.770 1.00 0.00 C ATOM 0 H LEU A 69 -11.152 -5.943 2.261 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.045 -3.914 0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.740 -6.253 1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.573 -5.012 0.125 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.481 -6.863 -1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.641 -5.368 -2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.169 -4.789 -2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.632 -4.010 -1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.058 -6.638 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.919 -5.374 -0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.341 -7.039 -0.004 1.00 0.00 H new ATOM 1148 N GLU A 70 -13.626 -3.521 2.419 1.00 0.00 N ATOM 1149 CA GLU A 70 -14.627 -2.607 2.946 1.00 0.00 C ATOM 1150 C GLU A 70 -13.984 -1.387 3.614 1.00 0.00 C ATOM 1151 O GLU A 70 -14.426 -0.265 3.370 1.00 0.00 O ATOM 1152 CB GLU A 70 -15.534 -3.364 3.926 1.00 0.00 C ATOM 1153 CG GLU A 70 -16.388 -4.425 3.219 1.00 0.00 C ATOM 1154 CD GLU A 70 -17.237 -5.202 4.222 1.00 0.00 C ATOM 1155 OE1 GLU A 70 -18.460 -5.089 4.194 1.00 0.00 O ATOM 1156 OE2 GLU A 70 -16.555 -5.990 5.101 1.00 0.00 O ATOM 0 H GLU A 70 -13.734 -4.471 2.774 1.00 0.00 H new ATOM 0 HA GLU A 70 -15.228 -2.229 2.119 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.922 -3.842 4.690 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.186 -2.656 4.437 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -17.035 -3.946 2.484 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.742 -5.113 2.674 1.00 0.00 H new ATOM 1164 N ARG A 71 -12.929 -1.604 4.419 1.00 0.00 N ATOM 1165 CA ARG A 71 -12.043 -0.557 4.930 1.00 0.00 C ATOM 1166 C ARG A 71 -11.719 0.451 3.830 1.00 0.00 C ATOM 1167 O ARG A 71 -11.957 1.641 4.014 1.00 0.00 O ATOM 1168 CB ARG A 71 -10.786 -1.188 5.557 1.00 0.00 C ATOM 1169 CG ARG A 71 -9.459 -0.440 5.355 1.00 0.00 C ATOM 1170 CD ARG A 71 -9.458 0.977 5.944 1.00 0.00 C ATOM 1171 NE ARG A 71 -9.352 2.040 4.929 1.00 0.00 N ATOM 1172 CZ ARG A 71 -8.353 2.248 4.052 1.00 0.00 C ATOM 1173 NH1 ARG A 71 -7.283 1.445 4.012 1.00 0.00 N ATOM 1174 NH2 ARG A 71 -8.434 3.263 3.179 1.00 0.00 N ATOM 0 H ARG A 71 -12.667 -2.537 4.737 1.00 0.00 H new ATOM 0 HA ARG A 71 -12.548 -0.002 5.721 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -10.957 -1.292 6.628 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.674 -2.194 5.153 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.654 -1.015 5.812 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.243 -0.381 4.288 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.374 1.124 6.517 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.627 1.070 6.643 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.130 2.698 4.886 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.213 0.656 4.655 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.538 1.622 3.339 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.251 3.874 3.182 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.679 3.424 2.513 1.00 0.00 H new ATOM 1188 N ILE A 72 -11.179 -0.012 2.699 1.00 0.00 N ATOM 1189 CA ILE A 72 -10.727 0.879 1.637 1.00 0.00 C ATOM 1190 C ILE A 72 -11.902 1.620 1.003 1.00 0.00 C ATOM 1191 O ILE A 72 -11.865 2.848 0.949 1.00 0.00 O ATOM 1192 CB ILE A 72 -9.816 0.173 0.619 1.00 0.00 C ATOM 1193 CG1 ILE A 72 -8.608 -0.475 1.323 1.00 0.00 C ATOM 1194 CG2 ILE A 72 -9.265 1.214 -0.366 1.00 0.00 C ATOM 1195 CD1 ILE A 72 -7.919 -1.540 0.473 1.00 0.00 C ATOM 0 H ILE A 72 -11.046 -1.003 2.499 1.00 0.00 H new ATOM 0 HA ILE A 72 -10.093 1.640 2.091 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.403 -0.591 0.110 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.886 0.300 1.579 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.939 -0.924 2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.618 0.721 -1.092 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.092 1.696 -0.886 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.693 1.964 0.180 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.077 -1.958 1.025 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.629 -2.334 0.239 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.559 -1.090 -0.452 1.00 0.00 H new ATOM 1207 N LYS A 73 -12.932 0.896 0.538 1.00 0.00 N ATOM 1208 CA LYS A 73 -14.077 1.524 -0.115 1.00 0.00 C ATOM 1209 C LYS A 73 -14.661 2.630 0.771 1.00 0.00 C ATOM 1210 O LYS A 73 -14.851 3.752 0.305 1.00 0.00 O ATOM 1211 CB LYS A 73 -15.159 0.491 -0.461 1.00 0.00 C ATOM 1212 CG LYS A 73 -14.893 -0.308 -1.751 1.00 0.00 C ATOM 1213 CD LYS A 73 -13.963 -1.510 -1.576 1.00 0.00 C ATOM 1214 CE LYS A 73 -12.511 -1.191 -1.968 1.00 0.00 C ATOM 1215 NZ LYS A 73 -12.333 -1.316 -3.404 1.00 0.00 N ATOM 0 H LYS A 73 -12.990 -0.120 0.605 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.726 1.968 -1.046 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -15.255 -0.208 0.370 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -16.116 1.005 -0.558 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.846 -0.657 -2.149 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.463 0.362 -2.495 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.992 -1.840 -0.537 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.327 -2.339 -2.184 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.256 -0.180 -1.651 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.831 -1.868 -1.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.347 -1.097 -3.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.556 -2.288 -3.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.968 -0.652 -3.892 1.00 0.00 H new ATOM 1228 N GLN A 74 -14.911 2.315 2.050 1.00 0.00 N ATOM 1229 CA GLN A 74 -15.396 3.262 3.045 1.00 0.00 C ATOM 1230 C GLN A 74 -14.227 3.739 3.915 1.00 0.00 C ATOM 1231 O GLN A 74 -14.269 3.637 5.141 1.00 0.00 O ATOM 1232 CB GLN A 74 -16.521 2.599 3.854 1.00 0.00 C ATOM 1233 CG GLN A 74 -17.347 3.628 4.638 1.00 0.00 C ATOM 1234 CD GLN A 74 -18.443 2.953 5.458 1.00 0.00 C ATOM 1235 OE1 GLN A 74 -18.351 2.881 6.681 1.00 0.00 O ATOM 1236 NE2 GLN A 74 -19.486 2.460 4.789 1.00 0.00 N ATOM 0 H GLN A 74 -14.777 1.375 2.422 1.00 0.00 H new ATOM 0 HA GLN A 74 -15.814 4.150 2.571 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -17.175 2.046 3.180 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -16.092 1.875 4.546 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -16.692 4.195 5.300 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -17.795 4.341 3.946 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -19.524 2.540 3.773 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -20.245 2.003 5.293 1.00 0.00 H new ATOM 1245 N GLY A 75 -13.175 4.268 3.278 1.00 0.00 N ATOM 1246 CA GLY A 75 -12.019 4.819 3.967 1.00 0.00 C ATOM 1247 C GLY A 75 -11.321 5.841 3.080 1.00 0.00 C ATOM 1248 O GLY A 75 -10.264 5.529 2.529 1.00 0.00 O ATOM 0 H GLY A 75 -13.109 4.322 2.262 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.331 5.288 4.900 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.326 4.019 4.229 1.00 0.00 H new ATOM 1252 N PRO A 76 -11.884 7.055 2.941 1.00 0.00 N ATOM 1253 CA PRO A 76 -11.303 8.110 2.128 1.00 0.00 C ATOM 1254 C PRO A 76 -9.964 8.548 2.734 1.00 0.00 C ATOM 1255 O PRO A 76 -9.904 8.811 3.934 1.00 0.00 O ATOM 1256 CB PRO A 76 -12.333 9.246 2.133 1.00 0.00 C ATOM 1257 CG PRO A 76 -13.102 9.032 3.435 1.00 0.00 C ATOM 1258 CD PRO A 76 -13.108 7.512 3.582 1.00 0.00 C ATOM 0 HA PRO A 76 -11.092 7.790 1.108 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -11.851 10.223 2.109 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.991 9.193 1.266 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.611 9.517 4.279 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -14.113 9.436 3.378 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -13.134 7.219 4.632 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.987 7.075 3.107 1.00 0.00 H new ATOM 1266 N PRO A 77 -8.881 8.618 1.941 1.00 0.00 N ATOM 1267 CA PRO A 77 -7.573 9.034 2.417 1.00 0.00 C ATOM 1268 C PRO A 77 -7.522 10.560 2.541 1.00 0.00 C ATOM 1269 O PRO A 77 -8.486 11.249 2.209 1.00 0.00 O ATOM 1270 CB PRO A 77 -6.601 8.526 1.353 1.00 0.00 C ATOM 1271 CG PRO A 77 -7.411 8.674 0.066 1.00 0.00 C ATOM 1272 CD PRO A 77 -8.831 8.328 0.517 1.00 0.00 C ATOM 0 HA PRO A 77 -7.331 8.639 3.404 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.685 9.116 1.326 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.309 7.491 1.532 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.350 9.685 -0.336 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.058 7.999 -0.714 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.568 8.918 -0.028 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.057 7.279 0.324 1.00 0.00 H new ATOM 1280 N ALA A 78 -6.378 11.094 2.983 1.00 0.00 N ATOM 1281 CA ALA A 78 -6.165 12.527 3.137 1.00 0.00 C ATOM 1282 C ALA A 78 -5.832 13.206 1.799 1.00 0.00 C ATOM 1283 O ALA A 78 -5.015 14.124 1.764 1.00 0.00 O ATOM 1284 CB ALA A 78 -5.051 12.749 4.168 1.00 0.00 C ATOM 0 H ALA A 78 -5.568 10.532 3.245 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.088 12.987 3.489 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.880 13.818 4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.347 12.314 5.123 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.134 12.273 3.821 1.00 0.00 H new ATOM 1290 N ALA A 79 -6.449 12.759 0.695 1.00 0.00 N ATOM 1291 CA ALA A 79 -6.154 13.226 -0.647 1.00 0.00 C ATOM 1292 C ALA A 79 -7.343 12.955 -1.568 1.00 0.00 C ATOM 1293 O ALA A 79 -8.211 12.144 -1.248 1.00 0.00 O ATOM 1294 CB ALA A 79 -4.903 12.513 -1.137 1.00 0.00 C ATOM 0 H ALA A 79 -7.180 12.048 0.722 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.977 14.302 -0.647 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.663 12.850 -2.146 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.070 12.740 -0.471 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.077 11.437 -1.146 1.00 0.00 H new ATOM 1300 N GLU A 80 -7.377 13.645 -2.715 1.00 0.00 N ATOM 1301 CA GLU A 80 -8.467 13.560 -3.675 1.00 0.00 C ATOM 1302 C GLU A 80 -8.364 12.264 -4.481 1.00 0.00 C ATOM 1303 O GLU A 80 -7.772 12.255 -5.558 1.00 0.00 O ATOM 1304 CB GLU A 80 -8.453 14.786 -4.601 1.00 0.00 C ATOM 1305 CG GLU A 80 -8.673 16.090 -3.824 1.00 0.00 C ATOM 1306 CD GLU A 80 -8.779 17.285 -4.767 1.00 0.00 C ATOM 1307 OE1 GLU A 80 -9.867 17.833 -4.929 1.00 0.00 O ATOM 1308 OE2 GLU A 80 -7.621 17.670 -5.377 1.00 0.00 O ATOM 0 H GLU A 80 -6.635 14.284 -2.999 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.414 13.550 -3.136 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.500 14.833 -5.127 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.230 14.679 -5.358 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.583 16.012 -3.228 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.848 16.245 -3.128 1.00 0.00 H new ATOM 1316 N VAL A 81 -8.961 11.182 -3.965 1.00 0.00 N ATOM 1317 CA VAL A 81 -9.076 9.894 -4.639 1.00 0.00 C ATOM 1318 C VAL A 81 -10.065 9.987 -5.807 1.00 0.00 C ATOM 1319 O VAL A 81 -11.218 9.573 -5.713 1.00 0.00 O ATOM 1320 CB VAL A 81 -9.377 8.791 -3.604 1.00 0.00 C ATOM 1321 CG1 VAL A 81 -10.696 8.948 -2.829 1.00 0.00 C ATOM 1322 CG2 VAL A 81 -9.305 7.401 -4.248 1.00 0.00 C ATOM 0 H VAL A 81 -9.388 11.185 -3.039 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.130 9.610 -5.101 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.593 8.904 -2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -10.808 8.120 -2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.685 9.889 -2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -11.532 8.947 -3.529 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.521 6.641 -3.497 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.037 7.335 -5.053 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.306 7.238 -4.652 1.00 0.00 H new ATOM 1332 N GLU A 82 -9.578 10.556 -6.916 1.00 0.00 N ATOM 1333 CA GLU A 82 -10.289 10.796 -8.160 1.00 0.00 C ATOM 1334 C GLU A 82 -11.175 9.614 -8.560 1.00 0.00 C ATOM 1335 O GLU A 82 -12.385 9.795 -8.680 1.00 0.00 O ATOM 1336 CB GLU A 82 -9.265 11.155 -9.247 1.00 0.00 C ATOM 1337 CG GLU A 82 -9.900 11.564 -10.583 1.00 0.00 C ATOM 1338 CD GLU A 82 -10.790 12.797 -10.457 1.00 0.00 C ATOM 1339 OE1 GLU A 82 -11.980 12.716 -10.753 1.00 0.00 O ATOM 1340 OE2 GLU A 82 -10.180 13.934 -10.014 1.00 0.00 O ATOM 0 H GLU A 82 -8.612 10.880 -6.963 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.975 11.632 -8.026 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.638 11.971 -8.888 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.610 10.300 -9.413 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.112 11.762 -11.310 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.490 10.733 -10.970 1.00 0.00 H new ATOM 1348 N LYS A 83 -10.596 8.417 -8.755 1.00 0.00 N ATOM 1349 CA LYS A 83 -11.379 7.244 -9.140 1.00 0.00 C ATOM 1350 C LYS A 83 -10.627 5.929 -8.900 1.00 0.00 C ATOM 1351 O LYS A 83 -9.952 5.403 -9.781 1.00 0.00 O ATOM 1352 CB LYS A 83 -11.922 7.380 -10.574 1.00 0.00 C ATOM 1353 CG LYS A 83 -10.838 7.601 -11.633 1.00 0.00 C ATOM 1354 CD LYS A 83 -11.463 8.117 -12.936 1.00 0.00 C ATOM 1355 CE LYS A 83 -10.408 8.368 -14.019 1.00 0.00 C ATOM 1356 NZ LYS A 83 -9.805 7.121 -14.453 1.00 0.00 N ATOM 0 H LYS A 83 -9.596 8.243 -8.652 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.246 7.201 -8.481 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.483 6.480 -10.826 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.624 8.213 -10.608 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.102 8.317 -11.266 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.308 6.667 -11.821 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.191 7.393 -13.300 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.005 9.041 -12.737 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.867 8.870 -14.870 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.637 9.035 -13.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.790 7.129 -14.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.263 6.325 -13.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -9.929 7.014 -15.480 1.00 0.00 H new ATOM 1369 N VAL A 84 -10.793 5.371 -7.697 1.00 0.00 N ATOM 1370 CA VAL A 84 -10.274 4.059 -7.331 1.00 0.00 C ATOM 1371 C VAL A 84 -10.997 2.949 -8.105 1.00 0.00 C ATOM 1372 O VAL A 84 -12.033 2.445 -7.679 1.00 0.00 O ATOM 1373 CB VAL A 84 -10.276 3.866 -5.801 1.00 0.00 C ATOM 1374 CG1 VAL A 84 -11.609 4.158 -5.096 1.00 0.00 C ATOM 1375 CG2 VAL A 84 -9.801 2.453 -5.430 1.00 0.00 C ATOM 0 H VAL A 84 -11.301 5.830 -6.941 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.228 3.994 -7.630 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.580 4.621 -5.437 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -11.498 3.991 -4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.895 5.195 -5.274 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.381 3.496 -5.489 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.810 2.339 -4.346 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.467 1.716 -5.878 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.788 2.300 -5.802 1.00 0.00 H new ATOM 1385 N ASP A 85 -10.429 2.572 -9.256 1.00 0.00 N ATOM 1386 CA ASP A 85 -10.966 1.567 -10.158 1.00 0.00 C ATOM 1387 C ASP A 85 -10.246 0.248 -9.889 1.00 0.00 C ATOM 1388 O ASP A 85 -9.324 -0.116 -10.618 1.00 0.00 O ATOM 1389 CB ASP A 85 -10.765 2.051 -11.603 1.00 0.00 C ATOM 1390 CG ASP A 85 -11.278 1.039 -12.624 1.00 0.00 C ATOM 1391 OD1 ASP A 85 -12.413 0.585 -12.508 1.00 0.00 O ATOM 1392 OD2 ASP A 85 -10.409 0.700 -13.619 1.00 0.00 O ATOM 0 H ASP A 85 -9.554 2.976 -9.589 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.033 1.411 -10.001 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.283 3.000 -11.742 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.705 2.237 -11.778 1.00 0.00 H new ATOM 1398 N TYR A 86 -10.642 -0.456 -8.821 1.00 0.00 N ATOM 1399 CA TYR A 86 -9.950 -1.670 -8.407 1.00 0.00 C ATOM 1400 C TYR A 86 -10.232 -2.837 -9.353 1.00 0.00 C ATOM 1401 O TYR A 86 -11.177 -2.791 -10.141 1.00 0.00 O ATOM 1402 CB TYR A 86 -10.274 -2.036 -6.948 1.00 0.00 C ATOM 1403 CG TYR A 86 -11.527 -2.869 -6.748 1.00 0.00 C ATOM 1404 CD1 TYR A 86 -12.799 -2.287 -6.908 1.00 0.00 C ATOM 1405 CD2 TYR A 86 -11.423 -4.243 -6.448 1.00 0.00 C ATOM 1406 CE1 TYR A 86 -13.956 -3.061 -6.719 1.00 0.00 C ATOM 1407 CE2 TYR A 86 -12.580 -5.011 -6.244 1.00 0.00 C ATOM 1408 CZ TYR A 86 -13.849 -4.421 -6.377 1.00 0.00 C ATOM 1409 OH TYR A 86 -14.975 -5.164 -6.179 1.00 0.00 O ATOM 0 H TYR A 86 -11.436 -0.202 -8.233 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.881 -1.463 -8.463 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.426 -2.580 -6.531 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.375 -1.115 -6.374 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.885 -1.244 -7.176 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -10.450 -4.706 -6.375 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.930 -2.610 -6.837 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -12.495 -6.056 -5.985 1.00 0.00 H new ATOM 0 HH TYR A 86 -14.724 -6.083 -5.951 1.00 0.00 H new ATOM 1419 N SER A 87 -9.416 -3.893 -9.249 1.00 0.00 N ATOM 1420 CA SER A 87 -9.549 -5.114 -10.025 1.00 0.00 C ATOM 1421 C SER A 87 -9.401 -6.331 -9.112 1.00 0.00 C ATOM 1422 O SER A 87 -8.354 -6.538 -8.502 1.00 0.00 O ATOM 1423 CB SER A 87 -8.504 -5.145 -11.143 1.00 0.00 C ATOM 1424 OG SER A 87 -8.600 -3.988 -11.946 1.00 0.00 O ATOM 0 H SER A 87 -8.627 -3.914 -8.603 1.00 0.00 H new ATOM 0 HA SER A 87 -10.539 -5.141 -10.481 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.505 -5.213 -10.712 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.648 -6.034 -11.758 1.00 0.00 H new ATOM 0 HG SER A 87 -7.924 -4.024 -12.654 1.00 0.00 H new ATOM 1430 N PHE A 88 -10.456 -7.148 -9.051 1.00 0.00 N ATOM 1431 CA PHE A 88 -10.456 -8.449 -8.400 1.00 0.00 C ATOM 1432 C PHE A 88 -9.809 -9.451 -9.360 1.00 0.00 C ATOM 1433 O PHE A 88 -10.252 -9.575 -10.501 1.00 0.00 O ATOM 1434 CB PHE A 88 -11.918 -8.800 -8.064 1.00 0.00 C ATOM 1435 CG PHE A 88 -12.193 -10.178 -7.473 1.00 0.00 C ATOM 1436 CD1 PHE A 88 -12.042 -11.343 -8.251 1.00 0.00 C ATOM 1437 CD2 PHE A 88 -12.736 -10.288 -6.176 1.00 0.00 C ATOM 1438 CE1 PHE A 88 -12.283 -12.609 -7.689 1.00 0.00 C ATOM 1439 CE2 PHE A 88 -12.989 -11.552 -5.616 1.00 0.00 C ATOM 1440 CZ PHE A 88 -12.741 -12.714 -6.364 1.00 0.00 C ATOM 0 H PHE A 88 -11.357 -6.910 -9.467 1.00 0.00 H new ATOM 0 HA PHE A 88 -9.885 -8.462 -7.471 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -12.291 -8.053 -7.363 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -12.506 -8.702 -8.977 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -11.739 -11.263 -9.285 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.959 -9.396 -5.610 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -12.116 -13.501 -8.275 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -13.374 -11.629 -4.610 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.902 -13.686 -5.922 1.00 0.00 H new ATOM 1450 N SER A 89 -8.759 -10.151 -8.909 1.00 0.00 N ATOM 1451 CA SER A 89 -8.026 -11.145 -9.685 1.00 0.00 C ATOM 1452 C SER A 89 -7.726 -12.382 -8.833 1.00 0.00 C ATOM 1453 O SER A 89 -8.028 -12.412 -7.641 1.00 0.00 O ATOM 1454 CB SER A 89 -6.727 -10.539 -10.233 1.00 0.00 C ATOM 1455 OG SER A 89 -6.949 -9.253 -10.777 1.00 0.00 O ATOM 0 H SER A 89 -8.390 -10.033 -7.965 1.00 0.00 H new ATOM 0 HA SER A 89 -8.647 -11.454 -10.526 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.988 -10.476 -9.435 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.313 -11.194 -11.000 1.00 0.00 H new ATOM 0 HG SER A 89 -6.104 -8.891 -11.117 1.00 0.00 H new ATOM 1461 N GLU A 90 -7.119 -13.401 -9.451 1.00 0.00 N ATOM 1462 CA GLU A 90 -6.813 -14.683 -8.851 1.00 0.00 C ATOM 1463 C GLU A 90 -5.384 -14.682 -8.309 1.00 0.00 C ATOM 1464 O GLU A 90 -4.516 -13.981 -8.827 1.00 0.00 O ATOM 1465 CB GLU A 90 -7.000 -15.736 -9.955 1.00 0.00 C ATOM 1466 CG GLU A 90 -6.221 -17.042 -9.786 1.00 0.00 C ATOM 1467 CD GLU A 90 -6.746 -17.954 -8.677 1.00 0.00 C ATOM 1468 OE1 GLU A 90 -7.278 -17.471 -7.679 1.00 0.00 O ATOM 1469 OE2 GLU A 90 -6.578 -19.290 -8.891 1.00 0.00 O ATOM 0 H GLU A 90 -6.819 -13.342 -10.424 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.467 -14.901 -8.006 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.061 -15.977 -10.022 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.714 -15.288 -10.907 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.243 -17.588 -10.729 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.178 -16.804 -9.580 1.00 0.00 H new ATOM 1477 N TYR A 91 -5.151 -15.522 -7.295 1.00 0.00 N ATOM 1478 CA TYR A 91 -3.847 -15.893 -6.775 1.00 0.00 C ATOM 1479 C TYR A 91 -2.851 -16.231 -7.895 1.00 0.00 C ATOM 1480 O TYR A 91 -2.912 -17.317 -8.464 1.00 0.00 O ATOM 1481 CB TYR A 91 -4.035 -17.104 -5.853 1.00 0.00 C ATOM 1482 CG TYR A 91 -2.731 -17.702 -5.376 1.00 0.00 C ATOM 1483 CD1 TYR A 91 -1.843 -16.895 -4.649 1.00 0.00 C ATOM 1484 CD2 TYR A 91 -2.296 -18.936 -5.895 1.00 0.00 C ATOM 1485 CE1 TYR A 91 -0.511 -17.295 -4.482 1.00 0.00 C ATOM 1486 CE2 TYR A 91 -0.955 -19.324 -5.748 1.00 0.00 C ATOM 1487 CZ TYR A 91 -0.058 -18.499 -5.046 1.00 0.00 C ATOM 1488 OH TYR A 91 1.252 -18.858 -4.916 1.00 0.00 O ATOM 0 H TYR A 91 -5.912 -15.981 -6.794 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.429 -15.047 -6.230 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -4.627 -16.805 -4.988 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.605 -17.868 -6.381 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -2.186 -15.966 -4.218 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -2.993 -19.584 -6.406 1.00 0.00 H new ATOM 0 HE1 TYR A 91 0.170 -16.675 -3.918 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.612 -20.256 -6.174 1.00 0.00 H new ATOM 0 HH TYR A 91 1.401 -19.718 -5.362 1.00 0.00 H new ATOM 1498 N LYS A 92 -1.918 -15.314 -8.180 1.00 0.00 N ATOM 1499 CA LYS A 92 -0.846 -15.526 -9.147 1.00 0.00 C ATOM 1500 C LYS A 92 0.396 -16.063 -8.435 1.00 0.00 C ATOM 1501 O LYS A 92 0.930 -17.101 -8.819 1.00 0.00 O ATOM 1502 CB LYS A 92 -0.550 -14.215 -9.892 1.00 0.00 C ATOM 1503 CG LYS A 92 0.599 -14.311 -10.906 1.00 0.00 C ATOM 1504 CD LYS A 92 0.338 -15.345 -12.006 1.00 0.00 C ATOM 1505 CE LYS A 92 1.413 -15.252 -13.095 1.00 0.00 C ATOM 1506 NZ LYS A 92 1.151 -16.234 -14.131 1.00 0.00 N ATOM 0 H LYS A 92 -1.890 -14.395 -7.738 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.155 -16.267 -9.884 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.453 -13.895 -10.412 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -0.311 -13.442 -9.162 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.756 -13.334 -11.363 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.519 -14.570 -10.382 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.332 -16.347 -11.577 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.647 -15.179 -12.443 1.00 0.00 H new ATOM 0 HE2 LYS A 92 1.422 -14.250 -13.525 1.00 0.00 H new ATOM 0 HE3 LYS A 92 2.398 -15.422 -12.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.883 -16.166 -14.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.164 -17.188 -13.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.218 -16.053 -14.553 1.00 0.00 H new ATOM 1519 N GLY A 93 0.863 -15.338 -7.411 1.00 0.00 N ATOM 1520 CA GLY A 93 2.084 -15.645 -6.684 1.00 0.00 C ATOM 1521 C GLY A 93 2.034 -14.989 -5.307 1.00 0.00 C ATOM 1522 O GLY A 93 1.440 -13.922 -5.147 1.00 0.00 O ATOM 0 H GLY A 93 0.387 -14.506 -7.064 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.197 -16.724 -6.581 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.951 -15.285 -7.239 1.00 0.00 H new ATOM 1526 N GLU A 94 2.629 -15.654 -4.313 1.00 0.00 N ATOM 1527 CA GLU A 94 2.566 -15.271 -2.913 1.00 0.00 C ATOM 1528 C GLU A 94 3.715 -14.330 -2.560 1.00 0.00 C ATOM 1529 O GLU A 94 4.862 -14.749 -2.417 1.00 0.00 O ATOM 1530 CB GLU A 94 2.498 -16.501 -1.997 1.00 0.00 C ATOM 1531 CG GLU A 94 3.503 -17.617 -2.308 1.00 0.00 C ATOM 1532 CD GLU A 94 3.449 -18.697 -1.233 1.00 0.00 C ATOM 1533 OE1 GLU A 94 4.296 -18.706 -0.343 1.00 0.00 O ATOM 1534 OE2 GLU A 94 2.426 -19.591 -1.337 1.00 0.00 O ATOM 0 H GLU A 94 3.182 -16.496 -4.472 1.00 0.00 H new ATOM 0 HA GLU A 94 1.641 -14.719 -2.746 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.652 -16.174 -0.969 1.00 0.00 H new ATOM 0 HB3 GLU A 94 1.492 -16.917 -2.052 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.281 -18.053 -3.282 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.510 -17.203 -2.366 1.00 0.00 H new ATOM 1542 N PHE A 95 3.375 -13.054 -2.367 1.00 0.00 N ATOM 1543 CA PHE A 95 4.208 -12.107 -1.648 1.00 0.00 C ATOM 1544 C PHE A 95 4.252 -12.506 -0.170 1.00 0.00 C ATOM 1545 O PHE A 95 3.477 -13.351 0.280 1.00 0.00 O ATOM 1546 CB PHE A 95 3.619 -10.700 -1.794 1.00 0.00 C ATOM 1547 CG PHE A 95 3.774 -10.058 -3.159 1.00 0.00 C ATOM 1548 CD1 PHE A 95 2.848 -10.341 -4.181 1.00 0.00 C ATOM 1549 CD2 PHE A 95 4.730 -9.039 -3.346 1.00 0.00 C ATOM 1550 CE1 PHE A 95 2.862 -9.595 -5.371 1.00 0.00 C ATOM 1551 CE2 PHE A 95 4.729 -8.279 -4.527 1.00 0.00 C ATOM 1552 CZ PHE A 95 3.788 -8.549 -5.536 1.00 0.00 C ATOM 0 H PHE A 95 2.503 -12.652 -2.712 1.00 0.00 H new ATOM 0 HA PHE A 95 5.219 -12.113 -2.055 1.00 0.00 H new ATOM 0 HB2 PHE A 95 2.557 -10.744 -1.553 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.087 -10.052 -1.053 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.126 -11.133 -4.050 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.465 -8.842 -2.579 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.161 -9.825 -6.160 1.00 0.00 H new ATOM 0 HE2 PHE A 95 5.451 -7.487 -4.660 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.776 -7.954 -6.437 1.00 0.00 H new ATOM 1562 N GLU A 96 5.144 -11.869 0.597 1.00 0.00 N ATOM 1563 CA GLU A 96 5.249 -12.065 2.030 1.00 0.00 C ATOM 1564 C GLU A 96 5.829 -10.823 2.703 1.00 0.00 C ATOM 1565 O GLU A 96 6.745 -10.917 3.517 1.00 0.00 O ATOM 1566 CB GLU A 96 5.995 -13.373 2.350 1.00 0.00 C ATOM 1567 CG GLU A 96 7.335 -13.499 1.611 1.00 0.00 C ATOM 1568 CD GLU A 96 8.060 -14.785 1.999 1.00 0.00 C ATOM 1569 OE1 GLU A 96 8.198 -15.679 1.166 1.00 0.00 O ATOM 1570 OE2 GLU A 96 8.518 -14.846 3.282 1.00 0.00 O ATOM 0 H GLU A 96 5.817 -11.197 0.227 1.00 0.00 H new ATOM 0 HA GLU A 96 4.254 -12.189 2.457 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.173 -13.429 3.424 1.00 0.00 H new ATOM 0 HB3 GLU A 96 5.361 -14.220 2.087 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.163 -13.486 0.535 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.964 -12.640 1.843 1.00 0.00 H new ATOM 1578 N ASP A 97 5.242 -9.668 2.358 1.00 0.00 N ATOM 1579 CA ASP A 97 5.560 -8.333 2.862 1.00 0.00 C ATOM 1580 C ASP A 97 4.816 -7.292 2.019 1.00 0.00 C ATOM 1581 O ASP A 97 5.279 -6.943 0.935 1.00 0.00 O ATOM 1582 CB ASP A 97 7.074 -8.048 2.824 1.00 0.00 C ATOM 1583 CG ASP A 97 7.388 -6.591 3.161 1.00 0.00 C ATOM 1584 OD1 ASP A 97 8.038 -5.912 2.369 1.00 0.00 O ATOM 1585 OD2 ASP A 97 6.905 -6.138 4.355 1.00 0.00 O ATOM 0 H ASP A 97 4.484 -9.645 1.675 1.00 0.00 H new ATOM 0 HA ASP A 97 5.244 -8.278 3.904 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.584 -8.702 3.531 1.00 0.00 H new ATOM 0 HB3 ASP A 97 7.463 -8.284 1.833 1.00 0.00 H new ATOM 1591 N PHE A 98 3.692 -6.770 2.525 1.00 0.00 N ATOM 1592 CA PHE A 98 2.994 -5.652 1.904 1.00 0.00 C ATOM 1593 C PHE A 98 3.643 -4.350 2.364 1.00 0.00 C ATOM 1594 O PHE A 98 3.247 -3.825 3.396 1.00 0.00 O ATOM 1595 CB PHE A 98 1.507 -5.686 2.283 1.00 0.00 C ATOM 1596 CG PHE A 98 0.686 -4.559 1.687 1.00 0.00 C ATOM 1597 CD1 PHE A 98 0.211 -4.660 0.368 1.00 0.00 C ATOM 1598 CD2 PHE A 98 0.414 -3.400 2.436 1.00 0.00 C ATOM 1599 CE1 PHE A 98 -0.503 -3.597 -0.205 1.00 0.00 C ATOM 1600 CE2 PHE A 98 -0.310 -2.342 1.863 1.00 0.00 C ATOM 1601 CZ PHE A 98 -0.786 -2.449 0.550 1.00 0.00 C ATOM 0 H PHE A 98 3.246 -7.114 3.375 1.00 0.00 H new ATOM 0 HA PHE A 98 3.066 -5.723 0.819 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.084 -6.638 1.962 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.420 -5.649 3.369 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.396 -5.557 -0.205 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.763 -3.324 3.455 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -0.836 -3.663 -1.230 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.500 -1.446 2.435 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.370 -1.649 0.120 1.00 0.00 H new ATOM 1611 N GLU A 99 4.636 -3.830 1.630 1.00 0.00 N ATOM 1612 CA GLU A 99 5.309 -2.581 1.990 1.00 0.00 C ATOM 1613 C GLU A 99 5.095 -1.534 0.902 1.00 0.00 C ATOM 1614 O GLU A 99 4.676 -1.863 -0.203 1.00 0.00 O ATOM 1615 CB GLU A 99 6.785 -2.867 2.294 1.00 0.00 C ATOM 1616 CG GLU A 99 7.540 -1.625 2.783 1.00 0.00 C ATOM 1617 CD GLU A 99 8.919 -2.004 3.314 1.00 0.00 C ATOM 1618 OE1 GLU A 99 9.921 -1.650 2.698 1.00 0.00 O ATOM 1619 OE2 GLU A 99 8.936 -2.731 4.467 1.00 0.00 O ATOM 0 H GLU A 99 4.991 -4.262 0.777 1.00 0.00 H new ATOM 0 HA GLU A 99 4.877 -2.160 2.898 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.851 -3.649 3.051 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.269 -3.251 1.396 1.00 0.00 H new ATOM 0 HG2 GLU A 99 7.644 -0.911 1.966 1.00 0.00 H new ATOM 0 HG3 GLU A 99 6.967 -1.130 3.567 1.00 0.00 H new ATOM 1627 N THR A 100 5.336 -0.262 1.227 1.00 0.00 N ATOM 1628 CA THR A 100 5.053 0.853 0.341 1.00 0.00 C ATOM 1629 C THR A 100 6.313 1.260 -0.424 1.00 0.00 C ATOM 1630 O THR A 100 7.399 1.310 0.151 1.00 0.00 O ATOM 1631 CB THR A 100 4.400 2.018 1.115 1.00 0.00 C ATOM 1632 OG1 THR A 100 5.345 2.984 1.534 1.00 0.00 O ATOM 1633 CG2 THR A 100 3.631 1.547 2.355 1.00 0.00 C ATOM 0 H THR A 100 5.737 0.018 2.122 1.00 0.00 H new ATOM 0 HA THR A 100 4.324 0.543 -0.407 1.00 0.00 H new ATOM 0 HB THR A 100 3.705 2.465 0.404 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.693 2.740 2.417 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.193 2.408 2.860 1.00 0.00 H new ATOM 0 HG22 THR A 100 2.839 0.861 2.053 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.314 1.036 3.034 1.00 0.00 H new ATOM 1641 N TYR A 101 6.157 1.556 -1.718 1.00 0.00 N ATOM 1642 CA TYR A 101 7.227 2.082 -2.559 1.00 0.00 C ATOM 1643 C TYR A 101 7.364 3.589 -2.331 1.00 0.00 C ATOM 1644 O TYR A 101 6.310 4.240 -2.152 1.00 0.00 O ATOM 1645 CB TYR A 101 6.900 1.774 -4.021 1.00 0.00 C ATOM 1646 CG TYR A 101 8.031 1.878 -5.019 1.00 0.00 C ATOM 1647 CD1 TYR A 101 8.215 3.071 -5.741 1.00 0.00 C ATOM 1648 CD2 TYR A 101 8.726 0.716 -5.405 1.00 0.00 C ATOM 1649 CE1 TYR A 101 9.212 3.145 -6.730 1.00 0.00 C ATOM 1650 CE2 TYR A 101 9.725 0.790 -6.390 1.00 0.00 C ATOM 1651 CZ TYR A 101 9.983 2.011 -7.037 1.00 0.00 C ATOM 1652 OH TYR A 101 10.971 2.092 -7.974 1.00 0.00 O ATOM 1653 OXT TYR A 101 8.520 4.063 -2.343 1.00 0.00 O ATOM 0 H TYR A 101 5.273 1.434 -2.213 1.00 0.00 H new ATOM 0 HA TYR A 101 8.177 1.613 -2.304 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.497 0.762 -4.071 1.00 0.00 H new ATOM 0 HB3 TYR A 101 6.106 2.449 -4.339 1.00 0.00 H new ATOM 0 HD1 TYR A 101 7.592 3.929 -5.536 1.00 0.00 H new ATOM 0 HD2 TYR A 101 8.491 -0.232 -4.944 1.00 0.00 H new ATOM 0 HE1 TYR A 101 9.385 4.074 -7.254 1.00 0.00 H new ATOM 0 HE2 TYR A 101 10.294 -0.090 -6.650 1.00 0.00 H new ATOM 0 HH TYR A 101 11.408 1.220 -8.065 1.00 0.00 H new