USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 620 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 82 TYR OH : rot 0:sc= -0.0111 USER MOD Set 1.2: A 97 LYS NZ :NH3+ 173:sc= 0.129 (180deg=0) USER MOD Set 2.1: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 77 SER OG : rot 180:sc= -1.51 USER MOD Set 3.1: A 70 THR OG1 : rot -12:sc= 0.296! USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= -0.381 USER MOD Set 4.1: A 38 MET CE :methyl -132:sc= -0.0729 (180deg=-1.34) USER MOD Set 4.2: A 53 THR OG1 : rot -150:sc= 0 USER MOD Single : A 20 THR OG1 : rot -33:sc= 0.164 USER MOD Single : A 22 THR OG1 : rot 43:sc= 0.141 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl -168:sc=-0.00545 (180deg=-0.225) USER MOD Single : A 35 THR OG1 : rot -109:sc= 0.042 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 67 GLN :FLIP amide:sc= -2.35 F(o=-2.9,f=-2.3) USER MOD Single : A 68 THR OG1 : rot -37:sc= 0.581 USER MOD Single : A 69 SER OG : rot 46:sc= 0.956 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 64:sc= 1.21 USER MOD Single : A 104 THR OG1 : rot -23:sc= -0.151 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 282 N THR A 20 -2.555 -16.706 8.043 1.00 0.00 N ATOM 283 CA THR A 20 -3.524 -17.511 7.311 1.00 0.00 C ATOM 284 C THR A 20 -2.851 -18.299 6.193 1.00 0.00 C ATOM 285 O THR A 20 -1.711 -18.019 5.823 1.00 0.00 O ATOM 286 CB THR A 20 -4.639 -16.637 6.707 1.00 0.00 C ATOM 287 OG1 THR A 20 -4.066 -15.557 5.962 1.00 0.00 O ATOM 288 CG2 THR A 20 -5.543 -16.083 7.799 1.00 0.00 C ATOM 0 HA THR A 20 -3.964 -18.205 8.028 1.00 0.00 H new ATOM 0 HB THR A 20 -5.238 -17.259 6.042 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.229 -15.275 6.386 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.323 -15.469 7.349 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.001 -16.908 8.346 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.954 -15.475 8.486 1.00 0.00 H new ATOM 296 N ALA A 21 -3.563 -19.285 5.658 1.00 0.00 N ATOM 297 CA ALA A 21 -3.035 -20.112 4.580 1.00 0.00 C ATOM 298 C ALA A 21 -3.749 -19.820 3.265 1.00 0.00 C ATOM 299 O ALA A 21 -4.893 -19.365 3.254 1.00 0.00 O ATOM 300 CB ALA A 21 -3.162 -21.586 4.935 1.00 0.00 C ATOM 0 H ALA A 21 -4.508 -19.531 5.954 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.980 -19.870 4.453 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.764 -22.192 4.121 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.601 -21.790 5.847 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.212 -21.833 5.091 1.00 0.00 H new ATOM 306 N THR A 22 -3.066 -20.084 2.155 1.00 0.00 N ATOM 307 CA THR A 22 -3.633 -19.848 0.834 1.00 0.00 C ATOM 308 C THR A 22 -3.753 -21.147 0.046 1.00 0.00 C ATOM 309 O THR A 22 -2.751 -21.793 -0.261 1.00 0.00 O ATOM 310 CB THR A 22 -2.782 -18.849 0.027 1.00 0.00 C ATOM 311 OG1 THR A 22 -1.399 -19.210 0.103 1.00 0.00 O ATOM 312 CG2 THR A 22 -2.970 -17.432 0.549 1.00 0.00 C ATOM 0 H THR A 22 -2.119 -20.462 2.146 1.00 0.00 H new ATOM 0 HA THR A 22 -4.626 -19.427 0.988 1.00 0.00 H new ATOM 0 HB THR A 22 -3.110 -18.883 -1.012 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.308 -20.180 0.000 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.359 -16.745 -0.036 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.019 -17.149 0.463 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.667 -17.386 1.595 1.00 0.00 H new ATOM 320 N ALA A 23 -4.985 -21.525 -0.279 1.00 0.00 N ATOM 321 CA ALA A 23 -5.235 -22.747 -1.034 1.00 0.00 C ATOM 322 C ALA A 23 -5.285 -22.466 -2.532 1.00 0.00 C ATOM 323 O ALA A 23 -5.608 -21.362 -2.971 1.00 0.00 O ATOM 324 CB ALA A 23 -6.532 -23.396 -0.573 1.00 0.00 C ATOM 0 H ALA A 23 -5.825 -21.003 -0.031 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.411 -23.435 -0.847 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.706 -24.307 -1.145 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.460 -23.641 0.487 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.360 -22.705 -0.730 1.00 0.00 H new ATOM 330 N PRO A 24 -4.957 -23.488 -3.337 1.00 0.00 N ATOM 331 CA PRO A 24 -4.957 -23.375 -4.799 1.00 0.00 C ATOM 332 C PRO A 24 -6.364 -23.247 -5.371 1.00 0.00 C ATOM 333 O PRO A 24 -6.557 -23.279 -6.585 1.00 0.00 O ATOM 334 CB PRO A 24 -4.310 -24.685 -5.256 1.00 0.00 C ATOM 335 CG PRO A 24 -4.576 -25.645 -4.148 1.00 0.00 C ATOM 336 CD PRO A 24 -4.562 -24.831 -2.883 1.00 0.00 C ATOM 0 HA PRO A 24 -4.431 -22.483 -5.139 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.742 -25.034 -6.194 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.240 -24.561 -5.424 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.538 -26.140 -4.283 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.817 -26.426 -4.118 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.258 -25.226 -2.143 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.575 -24.825 -2.420 1.00 0.00 H new ATOM 344 N GLY A 25 -7.347 -23.102 -4.486 1.00 0.00 N ATOM 345 CA GLY A 25 -8.725 -22.972 -4.923 1.00 0.00 C ATOM 346 C GLY A 25 -9.155 -24.107 -5.831 1.00 0.00 C ATOM 347 O GLY A 25 -8.741 -24.177 -6.987 1.00 0.00 O ATOM 0 H GLY A 25 -7.213 -23.072 -3.475 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.378 -22.941 -4.051 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.849 -22.025 -5.447 1.00 0.00 H new ATOM 351 N GLY A 26 -9.988 -25.000 -5.306 1.00 0.00 N ATOM 352 CA GLY A 26 -10.460 -26.126 -6.090 1.00 0.00 C ATOM 353 C GLY A 26 -11.936 -26.401 -5.881 1.00 0.00 C ATOM 354 O GLY A 26 -12.379 -27.547 -5.965 1.00 0.00 O ATOM 0 H GLY A 26 -10.345 -24.964 -4.351 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.276 -25.931 -7.147 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.887 -27.015 -5.825 1.00 0.00 H new ATOM 358 N LEU A 27 -12.699 -25.349 -5.607 1.00 0.00 N ATOM 359 CA LEU A 27 -14.134 -25.483 -5.383 1.00 0.00 C ATOM 360 C LEU A 27 -14.862 -25.791 -6.688 1.00 0.00 C ATOM 361 O LEU A 27 -14.308 -25.623 -7.774 1.00 0.00 O ATOM 362 CB LEU A 27 -14.695 -24.201 -4.764 1.00 0.00 C ATOM 363 CG LEU A 27 -14.774 -24.173 -3.237 1.00 0.00 C ATOM 364 CD1 LEU A 27 -14.867 -22.741 -2.734 1.00 0.00 C ATOM 365 CD2 LEU A 27 -15.961 -24.990 -2.749 1.00 0.00 C ATOM 0 H LEU A 27 -12.348 -24.394 -5.535 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.294 -26.313 -4.694 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.079 -23.363 -5.092 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.696 -24.036 -5.163 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.863 -24.619 -2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.922 -22.741 -1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.985 -22.185 -3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.760 -22.269 -3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -16.001 -24.959 -1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.882 -24.574 -3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.852 -26.023 -3.078 1.00 0.00 H new ATOM 377 N SER A 28 -16.107 -26.241 -6.573 1.00 0.00 N ATOM 378 CA SER A 28 -16.911 -26.574 -7.743 1.00 0.00 C ATOM 379 C SER A 28 -18.145 -25.680 -7.827 1.00 0.00 C ATOM 380 O SER A 28 -18.819 -25.630 -8.855 1.00 0.00 O ATOM 381 CB SER A 28 -17.334 -28.044 -7.695 1.00 0.00 C ATOM 382 OG SER A 28 -18.291 -28.266 -6.673 1.00 0.00 O ATOM 0 H SER A 28 -16.581 -26.383 -5.681 1.00 0.00 H new ATOM 0 HA SER A 28 -16.302 -26.407 -8.632 1.00 0.00 H new ATOM 0 HB2 SER A 28 -17.751 -28.337 -8.658 1.00 0.00 H new ATOM 0 HB3 SER A 28 -16.460 -28.672 -7.522 1.00 0.00 H new ATOM 0 HG SER A 28 -18.546 -29.212 -6.664 1.00 0.00 H new ATOM 388 N ALA A 29 -18.432 -24.976 -6.737 1.00 0.00 N ATOM 389 CA ALA A 29 -19.583 -24.082 -6.687 1.00 0.00 C ATOM 390 C ALA A 29 -19.331 -22.916 -5.737 1.00 0.00 C ATOM 391 O ALA A 29 -18.307 -22.867 -5.056 1.00 0.00 O ATOM 392 CB ALA A 29 -20.829 -24.848 -6.268 1.00 0.00 C ATOM 0 H ALA A 29 -17.884 -25.007 -5.877 1.00 0.00 H new ATOM 0 HA ALA A 29 -19.740 -23.675 -7.686 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -21.680 -24.168 -6.235 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -21.027 -25.642 -6.988 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -20.674 -25.283 -5.281 1.00 0.00 H new ATOM 398 N LYS A 30 -20.272 -21.979 -5.696 1.00 0.00 N ATOM 399 CA LYS A 30 -20.153 -20.813 -4.829 1.00 0.00 C ATOM 400 C LYS A 30 -20.215 -21.218 -3.360 1.00 0.00 C ATOM 401 O LYS A 30 -21.042 -22.041 -2.968 1.00 0.00 O ATOM 402 CB LYS A 30 -21.265 -19.807 -5.138 1.00 0.00 C ATOM 403 CG LYS A 30 -21.212 -19.258 -6.554 1.00 0.00 C ATOM 404 CD LYS A 30 -22.561 -18.714 -6.991 1.00 0.00 C ATOM 405 CE LYS A 30 -23.477 -19.824 -7.483 1.00 0.00 C ATOM 406 NZ LYS A 30 -24.580 -19.297 -8.334 1.00 0.00 N ATOM 0 H LYS A 30 -21.126 -22.004 -6.253 1.00 0.00 H new ATOM 0 HA LYS A 30 -19.186 -20.348 -5.019 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -22.231 -20.286 -4.979 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -21.200 -18.978 -4.433 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -20.464 -18.467 -6.611 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -20.897 -20.045 -7.239 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -23.033 -18.195 -6.157 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -22.419 -17.980 -7.784 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -22.895 -20.550 -8.051 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -23.899 -20.352 -6.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -25.182 -20.084 -8.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -25.151 -18.623 -7.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -24.179 -18.815 -9.163 1.00 0.00 H new ATOM 420 N ALA A 31 -19.335 -20.635 -2.553 1.00 0.00 N ATOM 421 CA ALA A 31 -19.292 -20.934 -1.127 1.00 0.00 C ATOM 422 C ALA A 31 -18.992 -19.680 -0.312 1.00 0.00 C ATOM 423 O ALA A 31 -17.977 -19.012 -0.508 1.00 0.00 O ATOM 424 CB ALA A 31 -18.255 -22.010 -0.844 1.00 0.00 C ATOM 0 H ALA A 31 -18.642 -19.953 -2.862 1.00 0.00 H new ATOM 0 HA ALA A 31 -20.273 -21.304 -0.829 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -18.234 -22.223 0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -18.514 -22.917 -1.390 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -17.273 -21.662 -1.164 1.00 0.00 H new ATOM 430 N PRO A 32 -19.895 -19.352 0.624 1.00 0.00 N ATOM 431 CA PRO A 32 -19.748 -18.176 1.487 1.00 0.00 C ATOM 432 C PRO A 32 -18.615 -18.335 2.495 1.00 0.00 C ATOM 433 O PRO A 32 -18.129 -19.441 2.727 1.00 0.00 O ATOM 434 CB PRO A 32 -21.097 -18.093 2.206 1.00 0.00 C ATOM 435 CG PRO A 32 -21.619 -19.488 2.194 1.00 0.00 C ATOM 436 CD PRO A 32 -21.128 -20.103 0.912 1.00 0.00 C ATOM 0 HA PRO A 32 -19.498 -17.281 0.918 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -20.981 -17.723 3.225 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -21.777 -17.411 1.695 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -21.259 -20.047 3.058 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -22.708 -19.498 2.239 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -20.932 -21.169 1.027 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -21.859 -19.998 0.110 1.00 0.00 H new ATOM 444 N ALA A 33 -18.200 -17.222 3.093 1.00 0.00 N ATOM 445 CA ALA A 33 -17.127 -17.239 4.078 1.00 0.00 C ATOM 446 C ALA A 33 -17.641 -17.686 5.443 1.00 0.00 C ATOM 447 O ALA A 33 -18.808 -18.048 5.588 1.00 0.00 O ATOM 448 CB ALA A 33 -16.481 -15.865 4.179 1.00 0.00 C ATOM 0 H ALA A 33 -18.591 -16.298 2.912 1.00 0.00 H new ATOM 0 HA ALA A 33 -16.377 -17.958 3.749 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.681 -15.893 4.919 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.069 -15.584 3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -17.229 -15.132 4.481 1.00 0.00 H new ATOM 454 N MET A 34 -16.762 -17.657 6.439 1.00 0.00 N ATOM 455 CA MET A 34 -17.129 -18.059 7.792 1.00 0.00 C ATOM 456 C MET A 34 -17.673 -19.484 7.808 1.00 0.00 C ATOM 457 O MET A 34 -18.766 -19.737 8.317 1.00 0.00 O ATOM 458 CB MET A 34 -18.170 -17.097 8.369 1.00 0.00 C ATOM 459 CG MET A 34 -17.572 -15.807 8.908 1.00 0.00 C ATOM 460 SD MET A 34 -16.296 -16.098 10.148 1.00 0.00 S ATOM 461 CE MET A 34 -17.266 -16.819 11.470 1.00 0.00 C ATOM 0 H MET A 34 -15.792 -17.360 6.335 1.00 0.00 H new ATOM 0 HA MET A 34 -16.231 -18.025 8.410 1.00 0.00 H new ATOM 0 HB2 MET A 34 -18.898 -16.855 7.595 1.00 0.00 H new ATOM 0 HB3 MET A 34 -18.712 -17.599 9.170 1.00 0.00 H new ATOM 0 HG2 MET A 34 -17.148 -15.235 8.083 1.00 0.00 H new ATOM 0 HG3 MET A 34 -18.364 -15.198 9.343 1.00 0.00 H new ATOM 0 HE1 MET A 34 -16.668 -16.858 12.381 1.00 0.00 H new ATOM 0 HE2 MET A 34 -18.153 -16.210 11.644 1.00 0.00 H new ATOM 0 HE3 MET A 34 -17.568 -17.828 11.191 1.00 0.00 H new ATOM 471 N THR A 35 -16.906 -20.412 7.246 1.00 0.00 N ATOM 472 CA THR A 35 -17.312 -21.811 7.193 1.00 0.00 C ATOM 473 C THR A 35 -16.102 -22.730 7.071 1.00 0.00 C ATOM 474 O THR A 35 -15.114 -22.411 6.410 1.00 0.00 O ATOM 475 CB THR A 35 -18.265 -22.076 6.013 1.00 0.00 C ATOM 476 OG1 THR A 35 -17.583 -21.851 4.773 1.00 0.00 O ATOM 477 CG2 THR A 35 -19.489 -21.177 6.094 1.00 0.00 C ATOM 0 H THR A 35 -15.999 -20.220 6.821 1.00 0.00 H new ATOM 0 HA THR A 35 -17.834 -22.024 8.126 1.00 0.00 H new ATOM 0 HB THR A 35 -18.592 -23.114 6.065 1.00 0.00 H new ATOM 0 HG1 THR A 35 -17.932 -21.039 4.350 1.00 0.00 H new ATOM 0 HG21 THR A 35 -20.148 -21.382 5.250 1.00 0.00 H new ATOM 0 HG22 THR A 35 -20.021 -21.370 7.025 1.00 0.00 H new ATOM 0 HG23 THR A 35 -19.176 -20.133 6.065 1.00 0.00 H new ATOM 485 N PRO A 36 -16.179 -23.901 7.722 1.00 0.00 N ATOM 486 CA PRO A 36 -15.098 -24.891 7.701 1.00 0.00 C ATOM 487 C PRO A 36 -14.944 -25.550 6.334 1.00 0.00 C ATOM 488 O PRO A 36 -15.930 -25.927 5.700 1.00 0.00 O ATOM 489 CB PRO A 36 -15.540 -25.921 8.744 1.00 0.00 C ATOM 490 CG PRO A 36 -17.024 -25.796 8.795 1.00 0.00 C ATOM 491 CD PRO A 36 -17.326 -24.347 8.530 1.00 0.00 C ATOM 0 HA PRO A 36 -14.128 -24.441 7.911 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.237 -26.928 8.459 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.092 -25.717 9.716 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -17.496 -26.436 8.049 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.408 -26.103 9.768 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -18.267 -24.224 7.994 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -17.410 -23.778 9.456 1.00 0.00 H new ATOM 499 N LEU A 37 -13.701 -25.686 5.886 1.00 0.00 N ATOM 500 CA LEU A 37 -13.417 -26.301 4.594 1.00 0.00 C ATOM 501 C LEU A 37 -12.688 -27.630 4.771 1.00 0.00 C ATOM 502 O LEU A 37 -12.190 -27.936 5.853 1.00 0.00 O ATOM 503 CB LEU A 37 -12.576 -25.357 3.731 1.00 0.00 C ATOM 504 CG LEU A 37 -13.005 -23.889 3.730 1.00 0.00 C ATOM 505 CD1 LEU A 37 -12.008 -23.043 2.954 1.00 0.00 C ATOM 506 CD2 LEU A 37 -14.402 -23.743 3.144 1.00 0.00 C ATOM 0 H LEU A 37 -12.874 -25.379 6.398 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.367 -26.492 4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.541 -25.412 4.069 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.595 -25.721 2.704 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.026 -23.535 4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.329 -22.001 2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.024 -23.124 3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.955 -23.397 1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -14.691 -22.692 3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.407 -24.114 2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.109 -24.318 3.742 1.00 0.00 H new ATOM 518 N MET A 38 -12.630 -28.414 3.699 1.00 0.00 N ATOM 519 CA MET A 38 -11.959 -29.708 3.736 1.00 0.00 C ATOM 520 C MET A 38 -10.874 -29.789 2.667 1.00 0.00 C ATOM 521 O MET A 38 -10.827 -28.965 1.752 1.00 0.00 O ATOM 522 CB MET A 38 -12.972 -30.837 3.537 1.00 0.00 C ATOM 523 CG MET A 38 -13.550 -30.895 2.132 1.00 0.00 C ATOM 524 SD MET A 38 -14.930 -32.047 1.996 1.00 0.00 S ATOM 525 CE MET A 38 -14.097 -33.608 2.273 1.00 0.00 C ATOM 0 H MET A 38 -13.039 -28.176 2.795 1.00 0.00 H new ATOM 0 HA MET A 38 -11.490 -29.818 4.714 1.00 0.00 H new ATOM 0 HB2 MET A 38 -12.492 -31.789 3.763 1.00 0.00 H new ATOM 0 HB3 MET A 38 -13.786 -30.713 4.251 1.00 0.00 H new ATOM 0 HG2 MET A 38 -13.883 -29.899 1.839 1.00 0.00 H new ATOM 0 HG3 MET A 38 -12.767 -31.188 1.433 1.00 0.00 H new ATOM 0 HE1 MET A 38 -14.397 -34.322 1.506 1.00 0.00 H new ATOM 0 HE2 MET A 38 -13.018 -33.458 2.227 1.00 0.00 H new ATOM 0 HE3 MET A 38 -14.368 -33.996 3.255 1.00 0.00 H new ATOM 535 N LEU A 39 -10.004 -30.785 2.788 1.00 0.00 N ATOM 536 CA LEU A 39 -8.918 -30.973 1.831 1.00 0.00 C ATOM 537 C LEU A 39 -9.305 -31.989 0.761 1.00 0.00 C ATOM 538 O LEU A 39 -10.089 -32.904 1.015 1.00 0.00 O ATOM 539 CB LEU A 39 -7.650 -31.433 2.552 1.00 0.00 C ATOM 540 CG LEU A 39 -6.326 -31.004 1.920 1.00 0.00 C ATOM 541 CD1 LEU A 39 -6.087 -31.756 0.620 1.00 0.00 C ATOM 542 CD2 LEU A 39 -6.310 -29.501 1.680 1.00 0.00 C ATOM 0 H LEU A 39 -10.029 -31.475 3.539 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.725 -30.016 1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.680 -31.056 3.574 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.665 -32.521 2.613 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.520 -31.249 2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.140 -31.438 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.053 -32.827 0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.897 -31.543 -0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.360 -29.215 1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.125 -29.231 1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.433 -28.980 2.629 1.00 0.00 H new ATOM 626 N LYS A 45 -6.112 -29.713 -3.060 1.00 0.00 N ATOM 627 CA LYS A 45 -7.020 -28.605 -3.332 1.00 0.00 C ATOM 628 C LYS A 45 -7.952 -28.361 -2.149 1.00 0.00 C ATOM 629 O LYS A 45 -8.455 -29.305 -1.538 1.00 0.00 O ATOM 630 CB LYS A 45 -7.841 -28.889 -4.592 1.00 0.00 C ATOM 631 CG LYS A 45 -7.005 -28.962 -5.858 1.00 0.00 C ATOM 632 CD LYS A 45 -7.688 -29.797 -6.929 1.00 0.00 C ATOM 633 CE LYS A 45 -8.752 -28.997 -7.665 1.00 0.00 C ATOM 634 NZ LYS A 45 -9.467 -29.823 -8.677 1.00 0.00 N ATOM 0 HA LYS A 45 -6.421 -27.708 -3.490 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.374 -29.831 -4.464 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.594 -28.110 -4.708 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.829 -27.955 -6.237 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.030 -29.391 -5.627 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.945 -30.157 -7.640 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.143 -30.676 -6.472 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.470 -28.601 -6.947 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.288 -28.142 -8.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.184 -29.241 -9.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.786 -30.180 -9.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.931 -30.625 -8.205 1.00 0.00 H new ATOM 648 N LEU A 46 -8.178 -27.092 -1.832 1.00 0.00 N ATOM 649 CA LEU A 46 -9.052 -26.724 -0.723 1.00 0.00 C ATOM 650 C LEU A 46 -10.465 -26.432 -1.216 1.00 0.00 C ATOM 651 O LEU A 46 -10.673 -25.553 -2.053 1.00 0.00 O ATOM 652 CB LEU A 46 -8.493 -25.504 0.010 1.00 0.00 C ATOM 653 CG LEU A 46 -9.087 -25.218 1.390 1.00 0.00 C ATOM 654 CD1 LEU A 46 -8.980 -26.446 2.281 1.00 0.00 C ATOM 655 CD2 LEU A 46 -8.392 -24.028 2.034 1.00 0.00 C ATOM 0 H LEU A 46 -7.768 -26.300 -2.327 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.095 -27.566 -0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.416 -25.633 0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.646 -24.626 -0.618 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.142 -24.974 1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.407 -26.224 3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.524 -27.274 1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.932 -26.721 2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.828 -23.839 3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.329 -24.243 2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.520 -23.147 1.405 1.00 0.00 H new ATOM 667 N VAL A 47 -11.435 -27.174 -0.691 1.00 0.00 N ATOM 668 CA VAL A 47 -12.830 -26.992 -1.075 1.00 0.00 C ATOM 669 C VAL A 47 -13.742 -27.004 0.146 1.00 0.00 C ATOM 670 O VAL A 47 -13.371 -27.506 1.206 1.00 0.00 O ATOM 671 CB VAL A 47 -13.289 -28.088 -2.056 1.00 0.00 C ATOM 672 CG1 VAL A 47 -12.372 -28.138 -3.268 1.00 0.00 C ATOM 673 CG2 VAL A 47 -13.338 -29.439 -1.359 1.00 0.00 C ATOM 0 H VAL A 47 -11.280 -27.907 0.001 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.899 -26.022 -1.567 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.294 -27.845 -2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.712 -28.918 -3.949 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.392 -27.176 -3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.354 -28.357 -2.945 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -13.664 -30.202 -2.066 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -12.346 -29.692 -0.985 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -14.039 -29.393 -0.526 1.00 0.00 H new ATOM 683 N ALA A 48 -14.939 -26.446 -0.011 1.00 0.00 N ATOM 684 CA ALA A 48 -15.906 -26.394 1.078 1.00 0.00 C ATOM 685 C ALA A 48 -16.126 -27.776 1.683 1.00 0.00 C ATOM 686 O ALA A 48 -16.076 -28.787 0.982 1.00 0.00 O ATOM 687 CB ALA A 48 -17.224 -25.816 0.586 1.00 0.00 C ATOM 0 H ALA A 48 -15.261 -26.024 -0.882 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.505 -25.745 1.856 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -17.937 -25.783 1.410 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -17.060 -24.807 0.207 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -17.621 -26.443 -0.212 1.00 0.00 H new ATOM 693 N TRP A 49 -16.368 -27.813 2.989 1.00 0.00 N ATOM 694 CA TRP A 49 -16.595 -29.073 3.688 1.00 0.00 C ATOM 695 C TRP A 49 -17.933 -29.685 3.288 1.00 0.00 C ATOM 696 O TRP A 49 -18.919 -28.973 3.096 1.00 0.00 O ATOM 697 CB TRP A 49 -16.553 -28.854 5.202 1.00 0.00 C ATOM 698 CG TRP A 49 -16.811 -30.103 5.990 1.00 0.00 C ATOM 699 CD1 TRP A 49 -16.379 -31.364 5.691 1.00 0.00 C ATOM 700 CD2 TRP A 49 -17.560 -30.210 7.205 1.00 0.00 C ATOM 701 NE1 TRP A 49 -16.816 -32.248 6.648 1.00 0.00 N ATOM 702 CE2 TRP A 49 -17.542 -31.565 7.588 1.00 0.00 C ATOM 703 CE3 TRP A 49 -18.244 -29.292 8.007 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -18.182 -32.022 8.737 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -18.878 -29.748 9.147 1.00 0.00 C ATOM 706 CH2 TRP A 49 -18.843 -31.102 9.504 1.00 0.00 C ATOM 0 H TRP A 49 -16.412 -26.986 3.584 1.00 0.00 H new ATOM 0 HA TRP A 49 -15.802 -29.765 3.405 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -15.577 -28.454 5.477 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -17.294 -28.102 5.474 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -15.782 -31.627 4.830 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -16.630 -33.251 6.657 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -18.276 -28.246 7.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -18.157 -33.066 9.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -19.410 -29.048 9.774 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -19.348 -31.426 10.402 1.00 0.00 H new ATOM 717 N ASP A 50 -17.960 -31.007 3.164 1.00 0.00 N ATOM 718 CA ASP A 50 -19.178 -31.715 2.787 1.00 0.00 C ATOM 719 C ASP A 50 -20.157 -31.771 3.956 1.00 0.00 C ATOM 720 O ASP A 50 -21.361 -31.584 3.780 1.00 0.00 O ATOM 721 CB ASP A 50 -18.845 -33.132 2.317 1.00 0.00 C ATOM 722 CG ASP A 50 -17.809 -33.146 1.210 1.00 0.00 C ATOM 723 OD1 ASP A 50 -17.895 -32.289 0.306 1.00 0.00 O ATOM 724 OD2 ASP A 50 -16.912 -34.014 1.249 1.00 0.00 O ATOM 0 H ASP A 50 -17.152 -31.610 3.319 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.647 -31.170 1.968 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -18.478 -33.715 3.162 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -19.755 -33.618 1.965 1.00 0.00 H new ATOM 729 N GLY A 51 -19.632 -32.030 5.150 1.00 0.00 N ATOM 730 CA GLY A 51 -20.474 -32.107 6.329 1.00 0.00 C ATOM 731 C GLY A 51 -20.501 -33.498 6.932 1.00 0.00 C ATOM 732 O GLY A 51 -20.741 -33.660 8.130 1.00 0.00 O ATOM 0 H GLY A 51 -18.639 -32.188 5.321 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.115 -31.398 7.075 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.489 -31.808 6.067 1.00 0.00 H new ATOM 736 N THR A 52 -20.256 -34.506 6.102 1.00 0.00 N ATOM 737 CA THR A 52 -20.256 -35.890 6.559 1.00 0.00 C ATOM 738 C THR A 52 -18.844 -36.358 6.894 1.00 0.00 C ATOM 739 O THR A 52 -18.573 -36.798 8.012 1.00 0.00 O ATOM 740 CB THR A 52 -20.859 -36.832 5.500 1.00 0.00 C ATOM 741 OG1 THR A 52 -20.176 -36.667 4.252 1.00 0.00 O ATOM 742 CG2 THR A 52 -22.343 -36.555 5.312 1.00 0.00 C ATOM 0 H THR A 52 -20.055 -34.390 5.109 1.00 0.00 H new ATOM 0 HA THR A 52 -20.871 -35.926 7.458 1.00 0.00 H new ATOM 0 HB THR A 52 -20.738 -37.858 5.847 1.00 0.00 H new ATOM 0 HG1 THR A 52 -20.564 -37.271 3.584 1.00 0.00 H new ATOM 0 HG21 THR A 52 -22.747 -37.232 4.560 1.00 0.00 H new ATOM 0 HG22 THR A 52 -22.864 -36.709 6.257 1.00 0.00 H new ATOM 0 HG23 THR A 52 -22.482 -35.525 4.985 1.00 0.00 H new ATOM 750 N THR A 53 -17.946 -36.261 5.919 1.00 0.00 N ATOM 751 CA THR A 53 -16.562 -36.675 6.110 1.00 0.00 C ATOM 752 C THR A 53 -16.062 -36.296 7.499 1.00 0.00 C ATOM 753 O THR A 53 -15.910 -35.115 7.814 1.00 0.00 O ATOM 754 CB THR A 53 -15.636 -36.044 5.053 1.00 0.00 C ATOM 755 OG1 THR A 53 -16.115 -36.347 3.738 1.00 0.00 O ATOM 756 CG2 THR A 53 -14.211 -36.554 5.209 1.00 0.00 C ATOM 0 H THR A 53 -18.153 -35.899 4.988 1.00 0.00 H new ATOM 0 HA THR A 53 -16.538 -37.759 6.002 1.00 0.00 H new ATOM 0 HB THR A 53 -15.637 -34.964 5.199 1.00 0.00 H new ATOM 0 HG1 THR A 53 -15.359 -36.388 3.116 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.575 -36.095 4.452 1.00 0.00 H new ATOM 0 HG22 THR A 53 -13.839 -36.296 6.200 1.00 0.00 H new ATOM 0 HG23 THR A 53 -14.197 -37.637 5.086 1.00 0.00 H new ATOM 764 N ASP A 54 -15.807 -37.303 8.326 1.00 0.00 N ATOM 765 CA ASP A 54 -15.321 -37.075 9.682 1.00 0.00 C ATOM 766 C ASP A 54 -13.878 -36.580 9.667 1.00 0.00 C ATOM 767 O ASP A 54 -13.018 -37.165 9.011 1.00 0.00 O ATOM 768 CB ASP A 54 -15.425 -38.359 10.507 1.00 0.00 C ATOM 769 CG ASP A 54 -14.426 -39.411 10.067 1.00 0.00 C ATOM 770 OD1 ASP A 54 -14.129 -39.478 8.856 1.00 0.00 O ATOM 771 OD2 ASP A 54 -13.942 -40.170 10.933 1.00 0.00 O ATOM 0 H ASP A 54 -15.929 -38.286 8.081 1.00 0.00 H new ATOM 0 HA ASP A 54 -15.944 -36.307 10.140 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.263 -38.126 11.559 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -16.434 -38.762 10.422 1.00 0.00 H new ATOM 776 N GLY A 55 -13.622 -35.497 10.394 1.00 0.00 N ATOM 777 CA GLY A 55 -12.282 -34.941 10.449 1.00 0.00 C ATOM 778 C GLY A 55 -11.860 -34.315 9.135 1.00 0.00 C ATOM 779 O GLY A 55 -10.672 -34.266 8.817 1.00 0.00 O ATOM 0 H GLY A 55 -14.318 -34.995 10.946 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.236 -34.190 11.237 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.576 -35.727 10.716 1.00 0.00 H new ATOM 783 N ALA A 56 -12.835 -33.836 8.369 1.00 0.00 N ATOM 784 CA ALA A 56 -12.558 -33.209 7.083 1.00 0.00 C ATOM 785 C ALA A 56 -12.232 -31.729 7.251 1.00 0.00 C ATOM 786 O ALA A 56 -11.382 -31.187 6.547 1.00 0.00 O ATOM 787 CB ALA A 56 -13.741 -33.388 6.143 1.00 0.00 C ATOM 0 H ALA A 56 -13.824 -33.870 8.617 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.686 -33.698 6.649 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.520 -32.915 5.186 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.925 -34.451 5.988 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.626 -32.926 6.580 1.00 0.00 H new ATOM 793 N ALA A 57 -12.916 -31.081 8.189 1.00 0.00 N ATOM 794 CA ALA A 57 -12.698 -29.664 8.451 1.00 0.00 C ATOM 795 C ALA A 57 -11.244 -29.390 8.819 1.00 0.00 C ATOM 796 O ALA A 57 -10.768 -29.821 9.869 1.00 0.00 O ATOM 797 CB ALA A 57 -13.625 -29.183 9.558 1.00 0.00 C ATOM 0 H ALA A 57 -13.625 -31.515 8.780 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.924 -29.113 7.538 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.451 -28.123 9.743 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.661 -29.333 9.256 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -13.427 -29.748 10.469 1.00 0.00 H new ATOM 803 N VAL A 58 -10.542 -28.672 7.948 1.00 0.00 N ATOM 804 CA VAL A 58 -9.142 -28.341 8.182 1.00 0.00 C ATOM 805 C VAL A 58 -8.988 -26.893 8.632 1.00 0.00 C ATOM 806 O VAL A 58 -8.173 -26.585 9.501 1.00 0.00 O ATOM 807 CB VAL A 58 -8.293 -28.567 6.917 1.00 0.00 C ATOM 808 CG1 VAL A 58 -8.425 -30.004 6.435 1.00 0.00 C ATOM 809 CG2 VAL A 58 -8.696 -27.590 5.824 1.00 0.00 C ATOM 0 H VAL A 58 -10.921 -28.308 7.073 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.788 -29.004 8.972 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.247 -28.387 7.165 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.818 -30.145 5.540 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -8.083 -30.683 7.216 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.469 -30.215 6.202 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.086 -27.764 4.938 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.747 -27.736 5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.544 -26.569 6.174 1.00 0.00 H new ATOM 819 N GLY A 59 -9.777 -26.005 8.035 1.00 0.00 N ATOM 820 CA GLY A 59 -9.713 -24.599 8.387 1.00 0.00 C ATOM 821 C GLY A 59 -11.021 -23.877 8.130 1.00 0.00 C ATOM 822 O GLY A 59 -11.989 -24.479 7.664 1.00 0.00 O ATOM 0 H GLY A 59 -10.460 -26.235 7.313 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.449 -24.503 9.440 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.919 -24.120 7.815 1.00 0.00 H new ATOM 826 N ILE A 60 -11.050 -22.584 8.434 1.00 0.00 N ATOM 827 CA ILE A 60 -12.249 -21.779 8.233 1.00 0.00 C ATOM 828 C ILE A 60 -11.998 -20.661 7.227 1.00 0.00 C ATOM 829 O ILE A 60 -11.134 -19.807 7.434 1.00 0.00 O ATOM 830 CB ILE A 60 -12.743 -21.163 9.555 1.00 0.00 C ATOM 831 CG1 ILE A 60 -12.998 -22.261 10.590 1.00 0.00 C ATOM 832 CG2 ILE A 60 -14.004 -20.345 9.321 1.00 0.00 C ATOM 833 CD1 ILE A 60 -13.057 -21.749 12.012 1.00 0.00 C ATOM 0 H ILE A 60 -10.257 -22.071 8.820 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.017 -22.449 7.845 1.00 0.00 H new ATOM 0 HB ILE A 60 -11.970 -20.498 9.940 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.937 -22.761 10.353 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.210 -23.010 10.515 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -14.340 -19.917 10.265 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -13.792 -19.543 8.614 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -14.785 -20.988 8.916 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -13.241 -22.582 12.691 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -12.110 -21.274 12.267 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -13.864 -21.022 12.104 1.00 0.00 H new ATOM 845 N LEU A 61 -12.759 -20.670 6.138 1.00 0.00 N ATOM 846 CA LEU A 61 -12.621 -19.655 5.100 1.00 0.00 C ATOM 847 C LEU A 61 -12.910 -18.264 5.656 1.00 0.00 C ATOM 848 O LEU A 61 -13.987 -18.011 6.194 1.00 0.00 O ATOM 849 CB LEU A 61 -13.566 -19.957 3.935 1.00 0.00 C ATOM 850 CG LEU A 61 -13.098 -19.497 2.554 1.00 0.00 C ATOM 851 CD1 LEU A 61 -14.275 -19.400 1.596 1.00 0.00 C ATOM 852 CD2 LEU A 61 -12.377 -18.160 2.653 1.00 0.00 C ATOM 0 H LEU A 61 -13.478 -21.369 5.951 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.592 -19.676 4.741 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -13.734 -21.033 3.900 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -14.529 -19.491 4.144 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.399 -20.236 2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -13.922 -19.071 0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -14.748 -20.377 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -14.999 -18.682 1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -12.051 -17.848 1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.054 -17.411 3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -11.509 -18.262 3.305 1.00 0.00 H new ATOM 864 N ALA A 62 -11.940 -17.365 5.519 1.00 0.00 N ATOM 865 CA ALA A 62 -12.092 -15.999 6.004 1.00 0.00 C ATOM 866 C ALA A 62 -12.971 -15.178 5.067 1.00 0.00 C ATOM 867 O ALA A 62 -13.879 -14.474 5.509 1.00 0.00 O ATOM 868 CB ALA A 62 -10.729 -15.341 6.163 1.00 0.00 C ATOM 0 H ALA A 62 -11.042 -17.558 5.076 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.581 -16.038 6.977 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.857 -14.321 6.526 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.132 -15.908 6.878 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.220 -15.322 5.200 1.00 0.00 H new ATOM 874 N VAL A 63 -12.696 -15.273 3.770 1.00 0.00 N ATOM 875 CA VAL A 63 -13.462 -14.539 2.770 1.00 0.00 C ATOM 876 C VAL A 63 -14.110 -15.489 1.769 1.00 0.00 C ATOM 877 O VAL A 63 -13.433 -16.303 1.142 1.00 0.00 O ATOM 878 CB VAL A 63 -12.576 -13.535 2.009 1.00 0.00 C ATOM 879 CG1 VAL A 63 -13.385 -12.808 0.945 1.00 0.00 C ATOM 880 CG2 VAL A 63 -11.941 -12.546 2.975 1.00 0.00 C ATOM 0 H VAL A 63 -11.948 -15.851 3.387 1.00 0.00 H new ATOM 0 HA VAL A 63 -14.239 -13.993 3.305 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.778 -14.086 1.512 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -12.742 -12.103 0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.788 -13.532 0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -14.205 -12.268 1.418 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -11.318 -11.844 2.420 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.723 -11.999 3.502 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.326 -13.085 3.696 1.00 0.00 H new ATOM 890 N ALA A 64 -15.426 -15.378 1.623 1.00 0.00 N ATOM 891 CA ALA A 64 -16.166 -16.225 0.696 1.00 0.00 C ATOM 892 C ALA A 64 -15.373 -16.460 -0.586 1.00 0.00 C ATOM 893 O ALA A 64 -14.583 -15.613 -1.001 1.00 0.00 O ATOM 894 CB ALA A 64 -17.518 -15.603 0.376 1.00 0.00 C ATOM 0 H ALA A 64 -16.002 -14.710 2.135 1.00 0.00 H new ATOM 0 HA ALA A 64 -16.327 -17.191 1.175 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -18.060 -16.246 -0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.094 -15.493 1.295 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.369 -14.624 -0.079 1.00 0.00 H new ATOM 900 N ALA A 65 -15.589 -17.615 -1.207 1.00 0.00 N ATOM 901 CA ALA A 65 -14.896 -17.960 -2.441 1.00 0.00 C ATOM 902 C ALA A 65 -15.766 -18.838 -3.333 1.00 0.00 C ATOM 903 O ALA A 65 -16.837 -19.287 -2.924 1.00 0.00 O ATOM 904 CB ALA A 65 -13.581 -18.659 -2.130 1.00 0.00 C ATOM 0 H ALA A 65 -16.239 -18.328 -0.875 1.00 0.00 H new ATOM 0 HA ALA A 65 -14.685 -17.036 -2.980 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.074 -18.911 -3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -12.948 -17.997 -1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.778 -19.571 -1.566 1.00 0.00 H new ATOM 910 N ASP A 66 -15.300 -19.080 -4.553 1.00 0.00 N ATOM 911 CA ASP A 66 -16.036 -19.906 -5.503 1.00 0.00 C ATOM 912 C ASP A 66 -15.089 -20.811 -6.285 1.00 0.00 C ATOM 913 O ASP A 66 -13.870 -20.680 -6.188 1.00 0.00 O ATOM 914 CB ASP A 66 -16.832 -19.025 -6.468 1.00 0.00 C ATOM 915 CG ASP A 66 -16.183 -17.673 -6.686 1.00 0.00 C ATOM 916 OD1 ASP A 66 -14.938 -17.596 -6.627 1.00 0.00 O ATOM 917 OD2 ASP A 66 -16.920 -16.690 -6.914 1.00 0.00 O ATOM 0 H ASP A 66 -14.416 -18.716 -4.908 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.728 -20.533 -4.941 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.930 -19.536 -7.426 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -17.840 -18.882 -6.078 1.00 0.00 H new ATOM 922 N GLN A 67 -15.660 -21.730 -7.057 1.00 0.00 N ATOM 923 CA GLN A 67 -14.865 -22.658 -7.853 1.00 0.00 C ATOM 924 C GLN A 67 -13.970 -21.907 -8.833 1.00 0.00 C ATOM 925 O GLN A 67 -13.005 -22.461 -9.360 1.00 0.00 O ATOM 926 CB GLN A 67 -15.778 -23.621 -8.615 1.00 0.00 C ATOM 927 CG GLN A 67 -16.844 -22.922 -9.443 1.00 0.00 C ATOM 928 CD GLN A 67 -16.292 -22.326 -10.722 1.00 0.00 C ATOM 929 OE1 GLN A 67 -16.675 -21.088 -11.013 1.00 0.00 O flip ATOM 930 NE2 GLN A 67 -15.529 -22.971 -11.442 1.00 0.00 N flip ATOM 0 H GLN A 67 -16.669 -21.852 -7.148 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.231 -23.228 -7.174 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -15.169 -24.243 -9.272 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.263 -24.289 -7.903 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -17.632 -23.634 -9.689 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -17.302 -22.133 -8.847 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -15.261 -23.920 -11.180 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -15.165 -22.557 -12.300 1.00 0.00 H new ATOM 939 N THR A 68 -14.296 -20.640 -9.073 1.00 0.00 N ATOM 940 CA THR A 68 -13.522 -19.813 -9.990 1.00 0.00 C ATOM 941 C THR A 68 -12.357 -19.139 -9.274 1.00 0.00 C ATOM 942 O THR A 68 -11.542 -18.459 -9.897 1.00 0.00 O ATOM 943 CB THR A 68 -14.400 -18.731 -10.648 1.00 0.00 C ATOM 944 OG1 THR A 68 -13.643 -18.018 -11.632 1.00 0.00 O ATOM 945 CG2 THR A 68 -14.931 -17.759 -9.606 1.00 0.00 C ATOM 0 H THR A 68 -15.091 -20.165 -8.645 1.00 0.00 H new ATOM 0 HA THR A 68 -13.135 -20.477 -10.763 1.00 0.00 H new ATOM 0 HB THR A 68 -15.246 -19.222 -11.128 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.720 -17.910 -11.320 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.548 -17.004 -10.094 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.531 -18.301 -8.875 1.00 0.00 H new ATOM 0 HG23 THR A 68 -14.095 -17.274 -9.102 1.00 0.00 H new ATOM 953 N SER A 69 -12.284 -19.333 -7.961 1.00 0.00 N ATOM 954 CA SER A 69 -11.220 -18.742 -7.159 1.00 0.00 C ATOM 955 C SER A 69 -9.883 -19.419 -7.445 1.00 0.00 C ATOM 956 O SER A 69 -9.816 -20.635 -7.628 1.00 0.00 O ATOM 957 CB SER A 69 -11.553 -18.853 -5.670 1.00 0.00 C ATOM 958 OG SER A 69 -12.484 -17.859 -5.280 1.00 0.00 O ATOM 0 H SER A 69 -12.949 -19.895 -7.430 1.00 0.00 H new ATOM 0 HA SER A 69 -11.139 -17.689 -7.428 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.961 -19.841 -5.458 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.641 -18.752 -5.082 1.00 0.00 H new ATOM 0 HG SER A 69 -13.208 -17.813 -5.938 1.00 0.00 H new ATOM 964 N THR A 70 -8.819 -18.623 -7.481 1.00 0.00 N ATOM 965 CA THR A 70 -7.484 -19.144 -7.746 1.00 0.00 C ATOM 966 C THR A 70 -6.657 -19.213 -6.467 1.00 0.00 C ATOM 967 O THR A 70 -5.628 -19.888 -6.415 1.00 0.00 O ATOM 968 CB THR A 70 -6.738 -18.279 -8.779 1.00 0.00 C ATOM 969 OG1 THR A 70 -5.359 -18.661 -8.833 1.00 0.00 O ATOM 970 CG2 THR A 70 -6.848 -16.803 -8.430 1.00 0.00 C ATOM 0 H THR A 70 -8.856 -17.615 -7.330 1.00 0.00 H new ATOM 0 HA THR A 70 -7.611 -20.149 -8.148 1.00 0.00 H new ATOM 0 HB THR A 70 -7.197 -18.440 -9.754 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.151 -19.245 -8.074 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.313 -16.212 -9.174 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.898 -16.509 -8.419 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.412 -16.628 -7.446 1.00 0.00 H new ATOM 978 N THR A 71 -7.114 -18.512 -5.434 1.00 0.00 N ATOM 979 CA THR A 71 -6.416 -18.493 -4.154 1.00 0.00 C ATOM 980 C THR A 71 -7.366 -18.140 -3.016 1.00 0.00 C ATOM 981 O THR A 71 -7.755 -16.982 -2.855 1.00 0.00 O ATOM 982 CB THR A 71 -5.249 -17.488 -4.165 1.00 0.00 C ATOM 983 OG1 THR A 71 -4.499 -17.622 -5.377 1.00 0.00 O ATOM 984 CG2 THR A 71 -4.335 -17.708 -2.970 1.00 0.00 C ATOM 0 H THR A 71 -7.965 -17.950 -5.459 1.00 0.00 H new ATOM 0 HA THR A 71 -6.020 -19.496 -3.995 1.00 0.00 H new ATOM 0 HB THR A 71 -5.664 -16.482 -4.105 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.760 -16.979 -5.377 1.00 0.00 H new ATOM 0 HG21 THR A 71 -3.518 -16.987 -2.999 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.903 -17.577 -2.049 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.928 -18.719 -3.004 1.00 0.00 H new ATOM 992 N LEU A 72 -7.736 -19.143 -2.227 1.00 0.00 N ATOM 993 CA LEU A 72 -8.640 -18.937 -1.101 1.00 0.00 C ATOM 994 C LEU A 72 -7.862 -18.613 0.170 1.00 0.00 C ATOM 995 O LEU A 72 -6.803 -19.187 0.427 1.00 0.00 O ATOM 996 CB LEU A 72 -9.504 -20.181 -0.881 1.00 0.00 C ATOM 997 CG LEU A 72 -10.508 -20.504 -1.988 1.00 0.00 C ATOM 998 CD1 LEU A 72 -9.793 -20.711 -3.314 1.00 0.00 C ATOM 999 CD2 LEU A 72 -11.325 -21.735 -1.624 1.00 0.00 C ATOM 0 H LEU A 72 -7.424 -20.107 -2.346 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.285 -18.090 -1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.844 -21.039 -0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.051 -20.059 0.054 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.188 -19.658 -2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.524 -20.940 -4.090 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.252 -19.803 -3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.090 -21.539 -3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.034 -21.950 -2.423 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.659 -22.587 -1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.868 -21.550 -0.697 1.00 0.00 H new ATOM 1011 N THR A 73 -8.395 -17.691 0.966 1.00 0.00 N ATOM 1012 CA THR A 73 -7.752 -17.291 2.211 1.00 0.00 C ATOM 1013 C THR A 73 -8.520 -17.816 3.419 1.00 0.00 C ATOM 1014 O THR A 73 -9.519 -17.229 3.835 1.00 0.00 O ATOM 1015 CB THR A 73 -7.635 -15.759 2.317 1.00 0.00 C ATOM 1016 OG1 THR A 73 -6.943 -15.241 1.175 1.00 0.00 O ATOM 1017 CG2 THR A 73 -6.901 -15.359 3.587 1.00 0.00 C ATOM 0 H THR A 73 -9.271 -17.207 0.770 1.00 0.00 H new ATOM 0 HA THR A 73 -6.752 -17.724 2.203 1.00 0.00 H new ATOM 0 HB THR A 73 -8.641 -15.341 2.352 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.874 -14.266 1.249 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.831 -14.273 3.640 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.447 -15.730 4.455 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.899 -15.787 3.578 1.00 0.00 H new ATOM 1025 N PHE A 74 -8.046 -18.924 3.980 1.00 0.00 N ATOM 1026 CA PHE A 74 -8.689 -19.528 5.141 1.00 0.00 C ATOM 1027 C PHE A 74 -7.780 -19.457 6.364 1.00 0.00 C ATOM 1028 O PHE A 74 -6.560 -19.341 6.239 1.00 0.00 O ATOM 1029 CB PHE A 74 -9.056 -20.984 4.848 1.00 0.00 C ATOM 1030 CG PHE A 74 -7.863 -21.879 4.673 1.00 0.00 C ATOM 1031 CD1 PHE A 74 -7.114 -21.838 3.508 1.00 0.00 C ATOM 1032 CD2 PHE A 74 -7.490 -22.763 5.673 1.00 0.00 C ATOM 1033 CE1 PHE A 74 -6.015 -22.660 3.344 1.00 0.00 C ATOM 1034 CE2 PHE A 74 -6.392 -23.587 5.515 1.00 0.00 C ATOM 1035 CZ PHE A 74 -5.654 -23.536 4.349 1.00 0.00 C ATOM 0 H PHE A 74 -7.219 -19.421 3.649 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.599 -18.967 5.353 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.671 -21.366 5.663 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.665 -21.022 3.945 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.392 -21.156 2.719 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.064 -22.808 6.587 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.439 -22.617 2.431 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.111 -24.270 6.303 1.00 0.00 H new ATOM 0 HZ PHE A 74 -4.796 -24.180 4.223 1.00 0.00 H new ATOM 1045 N TYR A 75 -8.382 -19.527 7.546 1.00 0.00 N ATOM 1046 CA TYR A 75 -7.627 -19.468 8.793 1.00 0.00 C ATOM 1047 C TYR A 75 -6.881 -20.775 9.040 1.00 0.00 C ATOM 1048 O TYR A 75 -7.169 -21.796 8.416 1.00 0.00 O ATOM 1049 CB TYR A 75 -8.563 -19.171 9.966 1.00 0.00 C ATOM 1050 CG TYR A 75 -8.880 -17.702 10.131 1.00 0.00 C ATOM 1051 CD1 TYR A 75 -8.004 -16.853 10.795 1.00 0.00 C ATOM 1052 CD2 TYR A 75 -10.057 -17.164 9.624 1.00 0.00 C ATOM 1053 CE1 TYR A 75 -8.290 -15.510 10.949 1.00 0.00 C ATOM 1054 CE2 TYR A 75 -10.350 -15.822 9.772 1.00 0.00 C ATOM 1055 CZ TYR A 75 -9.464 -14.999 10.435 1.00 0.00 C ATOM 1056 OH TYR A 75 -9.753 -13.663 10.586 1.00 0.00 O ATOM 0 H TYR A 75 -9.390 -19.625 7.667 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.895 -18.664 8.708 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -9.493 -19.721 9.826 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.109 -19.542 10.885 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -7.084 -17.249 11.198 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -10.754 -17.806 9.106 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.598 -14.864 11.469 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -11.268 -15.419 9.371 1.00 0.00 H new ATOM 0 HH TYR A 75 -10.616 -13.466 10.166 1.00 0.00 H new ATOM 1066 N LYS A 76 -5.921 -20.736 9.958 1.00 0.00 N ATOM 1067 CA LYS A 76 -5.133 -21.916 10.292 1.00 0.00 C ATOM 1068 C LYS A 76 -5.469 -22.416 11.694 1.00 0.00 C ATOM 1069 O LYS A 76 -5.540 -23.621 11.933 1.00 0.00 O ATOM 1070 CB LYS A 76 -3.638 -21.601 10.196 1.00 0.00 C ATOM 1071 CG LYS A 76 -3.184 -20.512 11.152 1.00 0.00 C ATOM 1072 CD LYS A 76 -2.720 -21.092 12.478 1.00 0.00 C ATOM 1073 CE LYS A 76 -1.243 -21.451 12.444 1.00 0.00 C ATOM 1074 NZ LYS A 76 -0.881 -22.415 13.519 1.00 0.00 N ATOM 0 H LYS A 76 -5.670 -19.899 10.484 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.379 -22.701 9.577 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.070 -22.509 10.397 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.404 -21.298 9.176 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.372 -19.944 10.698 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.003 -19.814 11.326 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.902 -20.371 13.275 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.306 -21.981 12.712 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.996 -21.880 11.473 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.647 -20.545 12.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.134 -22.634 13.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.093 -21.996 14.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.431 -23.290 13.401 1.00 0.00 H new ATOM 1088 N SER A 77 -5.675 -21.481 12.616 1.00 0.00 N ATOM 1089 CA SER A 77 -6.001 -21.827 13.995 1.00 0.00 C ATOM 1090 C SER A 77 -6.563 -20.619 14.739 1.00 0.00 C ATOM 1091 O SER A 77 -6.686 -19.532 14.178 1.00 0.00 O ATOM 1092 CB SER A 77 -4.760 -22.354 14.718 1.00 0.00 C ATOM 1093 OG SER A 77 -3.875 -21.298 15.047 1.00 0.00 O ATOM 0 H SER A 77 -5.622 -20.479 12.434 1.00 0.00 H new ATOM 0 HA SER A 77 -6.761 -22.608 13.978 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.059 -22.878 15.626 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.247 -23.079 14.086 1.00 0.00 H new ATOM 0 HG SER A 77 -3.091 -21.661 15.510 1.00 0.00 H new ATOM 1099 N GLY A 78 -6.903 -20.820 16.009 1.00 0.00 N ATOM 1100 CA GLY A 78 -7.448 -19.741 16.811 1.00 0.00 C ATOM 1101 C GLY A 78 -8.861 -20.025 17.282 1.00 0.00 C ATOM 1102 O GLY A 78 -9.534 -20.910 16.754 1.00 0.00 O ATOM 0 H GLY A 78 -6.810 -21.711 16.496 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.806 -19.576 17.676 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.441 -18.820 16.228 1.00 0.00 H new ATOM 1106 N THR A 79 -9.312 -19.273 18.282 1.00 0.00 N ATOM 1107 CA THR A 79 -10.652 -19.450 18.826 1.00 0.00 C ATOM 1108 C THR A 79 -11.695 -18.759 17.955 1.00 0.00 C ATOM 1109 O THR A 79 -11.672 -17.539 17.790 1.00 0.00 O ATOM 1110 CB THR A 79 -10.752 -18.899 20.261 1.00 0.00 C ATOM 1111 OG1 THR A 79 -9.649 -19.368 21.044 1.00 0.00 O ATOM 1112 CG2 THR A 79 -12.060 -19.322 20.914 1.00 0.00 C ATOM 0 H THR A 79 -8.768 -18.536 18.731 1.00 0.00 H new ATOM 0 HA THR A 79 -10.848 -20.522 18.841 1.00 0.00 H new ATOM 0 HB THR A 79 -10.725 -17.810 20.211 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.719 -19.012 21.954 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.108 -18.921 21.926 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.898 -18.938 20.332 1.00 0.00 H new ATOM 0 HG23 THR A 79 -12.113 -20.410 20.952 1.00 0.00 H new ATOM 1120 N PHE A 80 -12.611 -19.546 17.400 1.00 0.00 N ATOM 1121 CA PHE A 80 -13.663 -19.010 16.545 1.00 0.00 C ATOM 1122 C PHE A 80 -15.033 -19.187 17.194 1.00 0.00 C ATOM 1123 O PHE A 80 -15.203 -20.004 18.099 1.00 0.00 O ATOM 1124 CB PHE A 80 -13.640 -19.699 15.179 1.00 0.00 C ATOM 1125 CG PHE A 80 -12.407 -19.398 14.377 1.00 0.00 C ATOM 1126 CD1 PHE A 80 -11.236 -20.109 14.589 1.00 0.00 C ATOM 1127 CD2 PHE A 80 -12.417 -18.405 13.411 1.00 0.00 C ATOM 1128 CE1 PHE A 80 -10.099 -19.835 13.852 1.00 0.00 C ATOM 1129 CE2 PHE A 80 -11.284 -18.127 12.671 1.00 0.00 C ATOM 1130 CZ PHE A 80 -10.123 -18.842 12.893 1.00 0.00 C ATOM 0 H PHE A 80 -12.646 -20.557 17.527 1.00 0.00 H new ATOM 0 HA PHE A 80 -13.479 -17.944 16.409 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.716 -20.777 15.323 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.518 -19.391 14.611 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -11.212 -20.886 15.339 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -13.321 -17.842 13.234 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -9.193 -20.397 14.026 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -11.306 -17.351 11.920 1.00 0.00 H new ATOM 0 HZ PHE A 80 -9.235 -18.625 12.317 1.00 0.00 H new ATOM 1140 N ARG A 81 -16.008 -18.415 16.724 1.00 0.00 N ATOM 1141 CA ARG A 81 -17.362 -18.484 17.258 1.00 0.00 C ATOM 1142 C ARG A 81 -18.206 -19.483 16.472 1.00 0.00 C ATOM 1143 O ARG A 81 -18.456 -19.299 15.281 1.00 0.00 O ATOM 1144 CB ARG A 81 -18.020 -17.103 17.219 1.00 0.00 C ATOM 1145 CG ARG A 81 -17.708 -16.246 18.435 1.00 0.00 C ATOM 1146 CD ARG A 81 -18.636 -16.566 19.596 1.00 0.00 C ATOM 1147 NE ARG A 81 -18.909 -15.391 20.419 1.00 0.00 N ATOM 1148 CZ ARG A 81 -19.271 -15.455 21.695 1.00 0.00 C ATOM 1149 NH1 ARG A 81 -19.402 -16.632 22.292 1.00 0.00 N ATOM 1150 NH2 ARG A 81 -19.501 -14.341 22.378 1.00 0.00 N ATOM 0 H ARG A 81 -15.885 -17.735 15.974 1.00 0.00 H new ATOM 0 HA ARG A 81 -17.300 -18.821 18.293 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -17.692 -16.579 16.321 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -19.100 -17.226 17.139 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.674 -16.407 18.739 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -17.802 -15.192 18.172 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -19.574 -16.964 19.211 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -18.189 -17.345 20.213 1.00 0.00 H new ATOM 0 HE ARG A 81 -18.817 -14.470 19.990 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -19.225 -17.491 21.771 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -19.680 -16.678 23.272 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -19.400 -13.434 21.923 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -19.779 -14.392 23.358 1.00 0.00 H new ATOM 1164 N TYR A 82 -18.643 -20.541 17.147 1.00 0.00 N ATOM 1165 CA TYR A 82 -19.456 -21.571 16.512 1.00 0.00 C ATOM 1166 C TYR A 82 -20.825 -21.021 16.123 1.00 0.00 C ATOM 1167 O TYR A 82 -21.400 -21.419 15.111 1.00 0.00 O ATOM 1168 CB TYR A 82 -19.622 -22.769 17.449 1.00 0.00 C ATOM 1169 CG TYR A 82 -20.680 -23.749 16.996 1.00 0.00 C ATOM 1170 CD1 TYR A 82 -22.025 -23.400 16.996 1.00 0.00 C ATOM 1171 CD2 TYR A 82 -20.334 -25.025 16.566 1.00 0.00 C ATOM 1172 CE1 TYR A 82 -22.995 -24.294 16.584 1.00 0.00 C ATOM 1173 CE2 TYR A 82 -21.298 -25.924 16.150 1.00 0.00 C ATOM 1174 CZ TYR A 82 -22.626 -25.554 16.162 1.00 0.00 C ATOM 1175 OH TYR A 82 -23.589 -26.446 15.749 1.00 0.00 O ATOM 0 H TYR A 82 -18.447 -20.707 18.134 1.00 0.00 H new ATOM 0 HA TYR A 82 -18.944 -21.895 15.606 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -18.668 -23.290 17.532 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -19.876 -22.408 18.446 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -22.317 -22.413 17.324 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -19.295 -25.319 16.557 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -24.036 -24.007 16.592 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -21.012 -26.911 15.817 1.00 0.00 H new ATOM 0 HH TYR A 82 -24.473 -26.028 15.817 1.00 0.00 H new ATOM 1185 N GLU A 83 -21.340 -20.104 16.937 1.00 0.00 N ATOM 1186 CA GLU A 83 -22.641 -19.500 16.678 1.00 0.00 C ATOM 1187 C GLU A 83 -22.663 -18.815 15.315 1.00 0.00 C ATOM 1188 O GLU A 83 -23.669 -18.848 14.607 1.00 0.00 O ATOM 1189 CB GLU A 83 -22.985 -18.489 17.774 1.00 0.00 C ATOM 1190 CG GLU A 83 -22.676 -18.983 19.177 1.00 0.00 C ATOM 1191 CD GLU A 83 -23.607 -18.398 20.221 1.00 0.00 C ATOM 1192 OE1 GLU A 83 -24.839 -18.486 20.034 1.00 0.00 O ATOM 1193 OE2 GLU A 83 -23.104 -17.851 21.225 1.00 0.00 O ATOM 0 H GLU A 83 -20.877 -19.764 17.780 1.00 0.00 H new ATOM 0 HA GLU A 83 -23.387 -20.294 16.677 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -22.432 -17.567 17.593 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -24.045 -18.243 17.710 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -22.749 -20.070 19.199 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -21.647 -18.727 19.430 1.00 0.00 H new ATOM 1200 N ASP A 84 -21.545 -18.195 14.954 1.00 0.00 N ATOM 1201 CA ASP A 84 -21.433 -17.503 13.675 1.00 0.00 C ATOM 1202 C ASP A 84 -21.079 -18.479 12.557 1.00 0.00 C ATOM 1203 O ASP A 84 -21.677 -18.450 11.482 1.00 0.00 O ATOM 1204 CB ASP A 84 -20.377 -16.399 13.759 1.00 0.00 C ATOM 1205 CG ASP A 84 -20.797 -15.264 14.672 1.00 0.00 C ATOM 1206 OD1 ASP A 84 -22.017 -15.088 14.878 1.00 0.00 O ATOM 1207 OD2 ASP A 84 -19.907 -14.552 15.181 1.00 0.00 O ATOM 0 H ASP A 84 -20.703 -18.157 15.529 1.00 0.00 H new ATOM 0 HA ASP A 84 -22.400 -17.054 13.447 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -19.440 -16.823 14.119 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -20.186 -16.006 12.760 1.00 0.00 H new ATOM 1212 N VAL A 85 -20.102 -19.341 12.819 1.00 0.00 N ATOM 1213 CA VAL A 85 -19.669 -20.326 11.836 1.00 0.00 C ATOM 1214 C VAL A 85 -20.862 -21.025 11.194 1.00 0.00 C ATOM 1215 O VAL A 85 -21.646 -21.689 11.873 1.00 0.00 O ATOM 1216 CB VAL A 85 -18.748 -21.386 12.471 1.00 0.00 C ATOM 1217 CG1 VAL A 85 -18.346 -22.431 11.441 1.00 0.00 C ATOM 1218 CG2 VAL A 85 -17.521 -20.727 13.082 1.00 0.00 C ATOM 0 H VAL A 85 -19.596 -19.377 13.704 1.00 0.00 H new ATOM 0 HA VAL A 85 -19.114 -19.784 11.070 1.00 0.00 H new ATOM 0 HB VAL A 85 -19.296 -21.889 13.267 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -17.696 -23.171 11.908 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -19.238 -22.924 11.055 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -17.815 -21.948 10.621 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.881 -21.490 13.526 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -16.969 -20.197 12.306 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -17.832 -20.021 13.852 1.00 0.00 H new ATOM 1228 N LEU A 86 -20.995 -20.871 9.881 1.00 0.00 N ATOM 1229 CA LEU A 86 -22.093 -21.487 9.146 1.00 0.00 C ATOM 1230 C LEU A 86 -21.742 -22.915 8.737 1.00 0.00 C ATOM 1231 O LEU A 86 -21.239 -23.150 7.639 1.00 0.00 O ATOM 1232 CB LEU A 86 -22.431 -20.659 7.905 1.00 0.00 C ATOM 1233 CG LEU A 86 -23.486 -19.568 8.094 1.00 0.00 C ATOM 1234 CD1 LEU A 86 -23.548 -18.667 6.870 1.00 0.00 C ATOM 1235 CD2 LEU A 86 -24.848 -20.186 8.373 1.00 0.00 C ATOM 0 H LEU A 86 -20.356 -20.325 9.304 1.00 0.00 H new ATOM 0 HA LEU A 86 -22.963 -21.519 9.802 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -21.515 -20.192 7.544 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -22.774 -21.336 7.123 1.00 0.00 H new ATOM 0 HG LEU A 86 -23.202 -18.960 8.953 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -24.304 -17.897 7.023 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -22.577 -18.196 6.715 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -23.807 -19.261 5.994 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -25.586 -19.395 8.505 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -25.139 -20.818 7.534 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -24.795 -20.788 9.280 1.00 0.00 H new ATOM 1247 N TRP A 87 -22.012 -23.862 9.628 1.00 0.00 N ATOM 1248 CA TRP A 87 -21.727 -25.267 9.359 1.00 0.00 C ATOM 1249 C TRP A 87 -22.779 -25.869 8.434 1.00 0.00 C ATOM 1250 O TRP A 87 -23.939 -25.456 8.423 1.00 0.00 O ATOM 1251 CB TRP A 87 -21.669 -26.056 10.668 1.00 0.00 C ATOM 1252 CG TRP A 87 -20.933 -25.342 11.760 1.00 0.00 C ATOM 1253 CD1 TRP A 87 -21.412 -24.335 12.549 1.00 0.00 C ATOM 1254 CD2 TRP A 87 -19.586 -25.578 12.183 1.00 0.00 C ATOM 1255 NE1 TRP A 87 -20.444 -23.931 13.436 1.00 0.00 N ATOM 1256 CE2 TRP A 87 -19.314 -24.679 13.233 1.00 0.00 C ATOM 1257 CE3 TRP A 87 -18.583 -26.463 11.779 1.00 0.00 C ATOM 1258 CZ2 TRP A 87 -18.082 -24.641 13.880 1.00 0.00 C ATOM 1259 CZ3 TRP A 87 -17.360 -26.424 12.422 1.00 0.00 C ATOM 1260 CH2 TRP A 87 -17.119 -25.518 13.464 1.00 0.00 C ATOM 0 H TRP A 87 -22.427 -23.683 10.542 1.00 0.00 H new ATOM 0 HA TRP A 87 -20.758 -25.327 8.863 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -22.685 -26.267 11.002 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -21.188 -27.017 10.484 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -22.406 -23.918 12.485 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -20.549 -23.194 14.133 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -18.760 -27.165 10.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -17.893 -23.943 14.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -16.577 -27.103 12.117 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -16.153 -25.513 13.948 1.00 0.00 H new ATOM 1271 N PRO A 88 -22.368 -26.868 7.639 1.00 0.00 N ATOM 1272 CA PRO A 88 -23.261 -27.549 6.697 1.00 0.00 C ATOM 1273 C PRO A 88 -24.304 -28.408 7.404 1.00 0.00 C ATOM 1274 O PRO A 88 -24.001 -29.082 8.388 1.00 0.00 O ATOM 1275 CB PRO A 88 -22.311 -28.425 5.878 1.00 0.00 C ATOM 1276 CG PRO A 88 -21.144 -28.659 6.774 1.00 0.00 C ATOM 1277 CD PRO A 88 -21.000 -27.411 7.600 1.00 0.00 C ATOM 0 HA PRO A 88 -23.835 -26.843 6.097 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -22.785 -29.364 5.593 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -22.009 -27.927 4.956 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -21.307 -29.530 7.408 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.240 -28.851 6.196 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.627 -27.632 8.600 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.301 -26.708 7.147 1.00 0.00 H new ATOM 1285 N GLU A 89 -25.531 -28.380 6.894 1.00 0.00 N ATOM 1286 CA GLU A 89 -26.618 -29.158 7.479 1.00 0.00 C ATOM 1287 C GLU A 89 -26.245 -30.635 7.565 1.00 0.00 C ATOM 1288 O GLU A 89 -26.636 -31.331 8.501 1.00 0.00 O ATOM 1289 CB GLU A 89 -27.895 -28.990 6.654 1.00 0.00 C ATOM 1290 CG GLU A 89 -27.751 -29.441 5.210 1.00 0.00 C ATOM 1291 CD GLU A 89 -29.081 -29.795 4.574 1.00 0.00 C ATOM 1292 OE1 GLU A 89 -29.558 -30.929 4.787 1.00 0.00 O ATOM 1293 OE2 GLU A 89 -29.645 -28.937 3.862 1.00 0.00 O ATOM 0 H GLU A 89 -25.798 -27.828 6.079 1.00 0.00 H new ATOM 0 HA GLU A 89 -26.795 -28.787 8.489 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -28.698 -29.557 7.124 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -28.193 -27.942 6.670 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -27.275 -28.649 4.632 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -27.090 -30.307 5.168 1.00 0.00 H new ATOM 1300 N ALA A 90 -25.486 -31.106 6.580 1.00 0.00 N ATOM 1301 CA ALA A 90 -25.059 -32.499 6.544 1.00 0.00 C ATOM 1302 C ALA A 90 -24.800 -33.030 7.950 1.00 0.00 C ATOM 1303 O ALA A 90 -25.279 -34.102 8.317 1.00 0.00 O ATOM 1304 CB ALA A 90 -23.813 -32.647 5.684 1.00 0.00 C ATOM 0 H ALA A 90 -25.155 -30.543 5.797 1.00 0.00 H new ATOM 0 HA ALA A 90 -25.863 -33.089 6.104 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -23.505 -33.693 5.666 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -24.030 -32.315 4.669 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -23.009 -32.039 6.100 1.00 0.00 H new ATOM 1310 N ALA A 91 -24.037 -32.273 8.732 1.00 0.00 N ATOM 1311 CA ALA A 91 -23.716 -32.667 10.098 1.00 0.00 C ATOM 1312 C ALA A 91 -24.849 -32.310 11.054 1.00 0.00 C ATOM 1313 O ALA A 91 -24.913 -31.192 11.566 1.00 0.00 O ATOM 1314 CB ALA A 91 -22.418 -32.010 10.546 1.00 0.00 C ATOM 0 H ALA A 91 -23.630 -31.384 8.443 1.00 0.00 H new ATOM 0 HA ALA A 91 -23.588 -33.749 10.116 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -22.191 -32.313 11.568 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -21.607 -32.320 9.887 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -22.526 -30.926 10.505 1.00 0.00 H new ATOM 1320 N SER A 92 -25.742 -33.266 11.290 1.00 0.00 N ATOM 1321 CA SER A 92 -26.876 -33.050 12.181 1.00 0.00 C ATOM 1322 C SER A 92 -26.423 -33.014 13.637 1.00 0.00 C ATOM 1323 O SER A 92 -27.074 -32.405 14.486 1.00 0.00 O ATOM 1324 CB SER A 92 -27.920 -34.151 11.987 1.00 0.00 C ATOM 1325 OG SER A 92 -28.382 -34.186 10.648 1.00 0.00 O ATOM 0 H SER A 92 -25.702 -34.198 10.877 1.00 0.00 H new ATOM 0 HA SER A 92 -27.323 -32.087 11.934 1.00 0.00 H new ATOM 0 HB2 SER A 92 -27.488 -35.116 12.251 1.00 0.00 H new ATOM 0 HB3 SER A 92 -28.760 -33.982 12.661 1.00 0.00 H new ATOM 0 HG SER A 92 -29.047 -34.899 10.550 1.00 0.00 H new ATOM 1331 N ASP A 93 -25.302 -33.669 13.918 1.00 0.00 N ATOM 1332 CA ASP A 93 -24.760 -33.712 15.271 1.00 0.00 C ATOM 1333 C ASP A 93 -23.897 -32.485 15.550 1.00 0.00 C ATOM 1334 O ASP A 93 -22.965 -32.187 14.804 1.00 0.00 O ATOM 1335 CB ASP A 93 -23.937 -34.985 15.474 1.00 0.00 C ATOM 1336 CG ASP A 93 -23.069 -34.922 16.715 1.00 0.00 C ATOM 1337 OD1 ASP A 93 -23.610 -34.634 17.803 1.00 0.00 O ATOM 1338 OD2 ASP A 93 -21.849 -35.161 16.599 1.00 0.00 O ATOM 0 H ASP A 93 -24.751 -34.178 13.227 1.00 0.00 H new ATOM 0 HA ASP A 93 -25.596 -33.713 15.970 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -24.609 -35.840 15.547 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -23.306 -35.149 14.601 1.00 0.00 H new ATOM 1343 N GLU A 94 -24.217 -31.776 16.628 1.00 0.00 N ATOM 1344 CA GLU A 94 -23.472 -30.580 17.004 1.00 0.00 C ATOM 1345 C GLU A 94 -22.040 -30.932 17.397 1.00 0.00 C ATOM 1346 O GLU A 94 -21.107 -30.171 17.138 1.00 0.00 O ATOM 1347 CB GLU A 94 -24.168 -29.861 18.161 1.00 0.00 C ATOM 1348 CG GLU A 94 -24.039 -30.582 19.492 1.00 0.00 C ATOM 1349 CD GLU A 94 -24.726 -29.844 20.624 1.00 0.00 C ATOM 1350 OE1 GLU A 94 -25.663 -29.068 20.344 1.00 0.00 O ATOM 1351 OE2 GLU A 94 -24.326 -30.041 21.791 1.00 0.00 O ATOM 0 H GLU A 94 -24.986 -32.009 17.256 1.00 0.00 H new ATOM 0 HA GLU A 94 -23.441 -29.916 16.140 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -23.751 -28.859 18.258 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -25.225 -29.744 17.922 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -24.466 -31.581 19.403 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -22.983 -30.707 19.733 1.00 0.00 H new ATOM 1358 N THR A 95 -21.873 -32.091 18.026 1.00 0.00 N ATOM 1359 CA THR A 95 -20.557 -32.544 18.457 1.00 0.00 C ATOM 1360 C THR A 95 -19.657 -32.837 17.262 1.00 0.00 C ATOM 1361 O THR A 95 -18.435 -32.714 17.346 1.00 0.00 O ATOM 1362 CB THR A 95 -20.656 -33.808 19.332 1.00 0.00 C ATOM 1363 OG1 THR A 95 -21.499 -33.557 20.462 1.00 0.00 O ATOM 1364 CG2 THR A 95 -19.279 -34.247 19.807 1.00 0.00 C ATOM 0 H THR A 95 -22.634 -32.733 18.248 1.00 0.00 H new ATOM 0 HA THR A 95 -20.123 -31.736 19.046 1.00 0.00 H new ATOM 0 HB THR A 95 -21.086 -34.608 18.729 1.00 0.00 H new ATOM 0 HG1 THR A 95 -21.558 -34.366 21.012 1.00 0.00 H new ATOM 0 HG21 THR A 95 -19.375 -35.141 20.423 1.00 0.00 H new ATOM 0 HG22 THR A 95 -18.649 -34.466 18.945 1.00 0.00 H new ATOM 0 HG23 THR A 95 -18.825 -33.449 20.394 1.00 0.00 H new ATOM 1372 N LYS A 96 -20.269 -33.225 16.148 1.00 0.00 N ATOM 1373 CA LYS A 96 -19.524 -33.534 14.933 1.00 0.00 C ATOM 1374 C LYS A 96 -18.859 -32.282 14.369 1.00 0.00 C ATOM 1375 O LYS A 96 -17.681 -32.299 14.011 1.00 0.00 O ATOM 1376 CB LYS A 96 -20.452 -34.148 13.883 1.00 0.00 C ATOM 1377 CG LYS A 96 -20.490 -35.666 13.919 1.00 0.00 C ATOM 1378 CD LYS A 96 -19.180 -36.268 13.438 1.00 0.00 C ATOM 1379 CE LYS A 96 -19.366 -37.701 12.964 1.00 0.00 C ATOM 1380 NZ LYS A 96 -19.686 -38.621 14.090 1.00 0.00 N ATOM 0 H LYS A 96 -21.280 -33.333 16.062 1.00 0.00 H new ATOM 0 HA LYS A 96 -18.746 -34.254 15.187 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -21.461 -33.764 14.033 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -20.131 -33.824 12.893 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -20.694 -36.002 14.936 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -21.308 -36.025 13.294 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -18.778 -35.664 12.625 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -18.449 -36.243 14.246 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -20.167 -37.738 12.226 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -18.458 -38.039 12.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -19.805 -39.588 13.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -18.910 -38.605 14.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -20.567 -38.314 14.550 1.00 0.00 H new ATOM 1394 N LYS A 97 -19.621 -31.196 14.295 1.00 0.00 N ATOM 1395 CA LYS A 97 -19.106 -29.934 13.777 1.00 0.00 C ATOM 1396 C LYS A 97 -17.891 -29.473 14.576 1.00 0.00 C ATOM 1397 O LYS A 97 -16.832 -29.200 14.011 1.00 0.00 O ATOM 1398 CB LYS A 97 -20.195 -28.859 13.821 1.00 0.00 C ATOM 1399 CG LYS A 97 -21.562 -29.361 13.392 1.00 0.00 C ATOM 1400 CD LYS A 97 -22.546 -28.217 13.214 1.00 0.00 C ATOM 1401 CE LYS A 97 -23.979 -28.673 13.442 1.00 0.00 C ATOM 1402 NZ LYS A 97 -24.953 -27.566 13.234 1.00 0.00 N ATOM 0 H LYS A 97 -20.598 -31.164 14.587 1.00 0.00 H new ATOM 0 HA LYS A 97 -18.801 -30.092 12.743 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -20.264 -28.465 14.835 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -19.902 -28.031 13.176 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -21.471 -29.912 12.456 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -21.945 -30.059 14.137 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -22.303 -27.415 13.911 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -22.450 -27.806 12.209 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -24.211 -29.494 12.763 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -24.080 -29.060 14.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -25.921 -27.942 13.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -24.824 -26.847 13.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -24.795 -27.135 12.301 1.00 0.00 H new ATOM 1416 N ARG A 98 -18.050 -29.392 15.893 1.00 0.00 N ATOM 1417 CA ARG A 98 -16.966 -28.965 16.769 1.00 0.00 C ATOM 1418 C ARG A 98 -15.784 -29.927 16.679 1.00 0.00 C ATOM 1419 O ARG A 98 -14.630 -29.527 16.840 1.00 0.00 O ATOM 1420 CB ARG A 98 -17.455 -28.876 18.216 1.00 0.00 C ATOM 1421 CG ARG A 98 -18.661 -27.969 18.396 1.00 0.00 C ATOM 1422 CD ARG A 98 -19.455 -28.338 19.639 1.00 0.00 C ATOM 1423 NE ARG A 98 -18.617 -28.361 20.836 1.00 0.00 N ATOM 1424 CZ ARG A 98 -18.046 -29.462 21.311 1.00 0.00 C ATOM 1425 NH1 ARG A 98 -18.220 -30.623 20.694 1.00 0.00 N ATOM 1426 NH2 ARG A 98 -17.297 -29.403 22.405 1.00 0.00 N ATOM 0 H ARG A 98 -18.919 -29.617 16.377 1.00 0.00 H new ATOM 0 HA ARG A 98 -16.636 -27.979 16.443 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -17.708 -29.876 18.568 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -16.641 -28.513 18.844 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -18.331 -26.933 18.468 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -19.304 -28.038 17.518 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -20.265 -27.622 19.777 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -19.914 -29.317 19.499 1.00 0.00 H new ATOM 0 HE ARG A 98 -18.462 -27.484 21.334 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -18.794 -30.672 19.852 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -17.780 -31.467 21.061 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -17.160 -28.512 22.882 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -16.859 -30.249 22.769 1.00 0.00 H new ATOM 1440 N THR A 99 -16.079 -31.197 16.421 1.00 0.00 N ATOM 1441 CA THR A 99 -15.043 -32.216 16.311 1.00 0.00 C ATOM 1442 C THR A 99 -14.443 -32.242 14.910 1.00 0.00 C ATOM 1443 O THR A 99 -13.332 -32.731 14.709 1.00 0.00 O ATOM 1444 CB THR A 99 -15.592 -33.615 16.648 1.00 0.00 C ATOM 1445 OG1 THR A 99 -16.167 -33.613 17.960 1.00 0.00 O ATOM 1446 CG2 THR A 99 -14.490 -34.661 16.574 1.00 0.00 C ATOM 0 H THR A 99 -17.028 -31.545 16.284 1.00 0.00 H new ATOM 0 HA THR A 99 -14.267 -31.955 17.031 1.00 0.00 H new ATOM 0 HB THR A 99 -16.359 -33.866 15.916 1.00 0.00 H new ATOM 0 HG1 THR A 99 -16.934 -33.003 17.980 1.00 0.00 H new ATOM 0 HG21 THR A 99 -14.902 -35.641 16.816 1.00 0.00 H new ATOM 0 HG22 THR A 99 -14.074 -34.681 15.567 1.00 0.00 H new ATOM 0 HG23 THR A 99 -13.704 -34.412 17.286 1.00 0.00 H new ATOM 1454 N ALA A 100 -15.186 -31.711 13.944 1.00 0.00 N ATOM 1455 CA ALA A 100 -14.725 -31.671 12.562 1.00 0.00 C ATOM 1456 C ALA A 100 -13.277 -31.201 12.478 1.00 0.00 C ATOM 1457 O ALA A 100 -12.577 -31.485 11.507 1.00 0.00 O ATOM 1458 CB ALA A 100 -15.624 -30.766 11.732 1.00 0.00 C ATOM 0 H ALA A 100 -16.109 -31.303 14.093 1.00 0.00 H new ATOM 0 HA ALA A 100 -14.774 -32.683 12.160 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -15.268 -30.745 10.702 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -16.645 -31.147 11.756 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -15.604 -29.757 12.143 1.00 0.00 H new ATOM 1464 N PHE A 101 -12.834 -30.479 13.503 1.00 0.00 N ATOM 1465 CA PHE A 101 -11.469 -29.968 13.544 1.00 0.00 C ATOM 1466 C PHE A 101 -10.565 -30.898 14.349 1.00 0.00 C ATOM 1467 O PHE A 101 -9.611 -30.453 14.988 1.00 0.00 O ATOM 1468 CB PHE A 101 -11.446 -28.564 14.151 1.00 0.00 C ATOM 1469 CG PHE A 101 -11.927 -27.496 13.211 1.00 0.00 C ATOM 1470 CD1 PHE A 101 -11.175 -27.141 12.102 1.00 0.00 C ATOM 1471 CD2 PHE A 101 -13.131 -26.848 13.435 1.00 0.00 C ATOM 1472 CE1 PHE A 101 -11.615 -26.159 11.234 1.00 0.00 C ATOM 1473 CE2 PHE A 101 -13.576 -25.866 12.571 1.00 0.00 C ATOM 1474 CZ PHE A 101 -12.817 -25.520 11.470 1.00 0.00 C ATOM 0 H PHE A 101 -13.400 -30.235 14.315 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.094 -29.920 12.522 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -12.066 -28.554 15.047 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.429 -28.329 14.465 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.234 -27.637 11.914 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -13.728 -27.114 14.295 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -11.020 -25.892 10.373 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -14.517 -25.369 12.756 1.00 0.00 H new ATOM 0 HZ PHE A 101 -13.163 -24.751 10.795 1.00 0.00 H new ATOM 1484 N ALA A 102 -10.872 -32.190 14.313 1.00 0.00 N ATOM 1485 CA ALA A 102 -10.088 -33.182 15.037 1.00 0.00 C ATOM 1486 C ALA A 102 -8.708 -33.355 14.411 1.00 0.00 C ATOM 1487 O ALA A 102 -8.578 -33.893 13.312 1.00 0.00 O ATOM 1488 CB ALA A 102 -10.824 -34.513 15.073 1.00 0.00 C ATOM 0 H ALA A 102 -11.659 -32.574 13.790 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.953 -32.827 16.059 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.227 -35.245 15.617 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -11.784 -34.385 15.573 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.990 -34.865 14.055 1.00 0.00 H new ATOM 1494 N GLY A 103 -7.680 -32.894 15.117 1.00 0.00 N ATOM 1495 CA GLY A 103 -6.324 -33.007 14.613 1.00 0.00 C ATOM 1496 C GLY A 103 -5.682 -31.655 14.370 1.00 0.00 C ATOM 1497 O GLY A 103 -4.461 -31.515 14.451 1.00 0.00 O ATOM 0 H GLY A 103 -7.762 -32.444 16.029 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -5.721 -33.570 15.325 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.331 -33.575 13.683 1.00 0.00 H new ATOM 1501 N THR A 104 -6.506 -30.656 14.069 1.00 0.00 N ATOM 1502 CA THR A 104 -6.011 -29.310 13.810 1.00 0.00 C ATOM 1503 C THR A 104 -5.842 -28.527 15.107 1.00 0.00 C ATOM 1504 O THR A 104 -6.410 -28.886 16.138 1.00 0.00 O ATOM 1505 CB THR A 104 -6.959 -28.533 12.876 1.00 0.00 C ATOM 1506 OG1 THR A 104 -8.279 -28.508 13.429 1.00 0.00 O ATOM 1507 CG2 THR A 104 -6.994 -29.167 11.493 1.00 0.00 C ATOM 0 H THR A 104 -7.519 -30.754 13.999 1.00 0.00 H new ATOM 0 HA THR A 104 -5.041 -29.418 13.325 1.00 0.00 H new ATOM 0 HB THR A 104 -6.586 -27.513 12.782 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.388 -29.259 14.048 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.670 -28.602 10.851 1.00 0.00 H new ATOM 0 HG22 THR A 104 -5.992 -29.158 11.063 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.345 -30.196 11.573 1.00 0.00 H new ATOM 1515 N ALA A 105 -5.057 -27.456 15.049 1.00 0.00 N ATOM 1516 CA ALA A 105 -4.815 -26.622 16.219 1.00 0.00 C ATOM 1517 C ALA A 105 -5.962 -25.640 16.439 1.00 0.00 C ATOM 1518 O ALA A 105 -5.863 -24.731 17.264 1.00 0.00 O ATOM 1519 CB ALA A 105 -3.499 -25.874 16.071 1.00 0.00 C ATOM 0 H ALA A 105 -4.578 -27.146 14.204 1.00 0.00 H new ATOM 0 HA ALA A 105 -4.754 -27.272 17.092 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -3.331 -25.255 16.952 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -2.683 -26.590 15.970 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -3.538 -25.241 15.185 1.00 0.00 H new ATOM 1525 N ILE A 106 -7.047 -25.830 15.697 1.00 0.00 N ATOM 1526 CA ILE A 106 -8.212 -24.961 15.813 1.00 0.00 C ATOM 1527 C ILE A 106 -9.074 -25.354 17.008 1.00 0.00 C ATOM 1528 O ILE A 106 -9.315 -26.536 17.251 1.00 0.00 O ATOM 1529 CB ILE A 106 -9.073 -25.001 14.537 1.00 0.00 C ATOM 1530 CG1 ILE A 106 -8.324 -24.356 13.369 1.00 0.00 C ATOM 1531 CG2 ILE A 106 -10.403 -24.300 14.773 1.00 0.00 C ATOM 1532 CD1 ILE A 106 -8.709 -24.919 12.019 1.00 0.00 C ATOM 0 H ILE A 106 -7.144 -26.577 15.009 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.837 -23.948 15.957 1.00 0.00 H new ATOM 0 HB ILE A 106 -9.273 -26.042 14.284 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -8.515 -23.283 13.374 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -7.252 -24.490 13.517 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -11.000 -24.337 13.862 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.940 -24.800 15.579 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -10.223 -23.261 15.047 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -8.139 -24.415 11.239 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -8.492 -25.987 11.995 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -9.774 -24.761 11.849 1.00 0.00 H new ATOM 1544 N SER A 107 -9.539 -24.353 17.749 1.00 0.00 N ATOM 1545 CA SER A 107 -10.374 -24.594 18.920 1.00 0.00 C ATOM 1546 C SER A 107 -11.672 -23.797 18.835 1.00 0.00 C ATOM 1547 O SER A 107 -11.655 -22.567 18.779 1.00 0.00 O ATOM 1548 CB SER A 107 -9.617 -24.223 20.197 1.00 0.00 C ATOM 1549 OG SER A 107 -8.431 -24.986 20.327 1.00 0.00 O ATOM 0 H SER A 107 -9.352 -23.368 17.559 1.00 0.00 H new ATOM 0 HA SER A 107 -10.621 -25.655 18.948 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.370 -23.161 20.182 1.00 0.00 H new ATOM 0 HB3 SER A 107 -10.257 -24.389 21.064 1.00 0.00 H new ATOM 0 HG SER A 107 -7.965 -24.729 21.150 1.00 0.00 H new ATOM 1555 N ILE A 108 -12.795 -24.507 18.826 1.00 0.00 N ATOM 1556 CA ILE A 108 -14.103 -23.866 18.749 1.00 0.00 C ATOM 1557 C ILE A 108 -14.812 -23.900 20.098 1.00 0.00 C ATOM 1558 O ILE A 108 -14.760 -24.901 20.814 1.00 0.00 O ATOM 1559 CB ILE A 108 -14.999 -24.541 17.693 1.00 0.00 C ATOM 1560 CG1 ILE A 108 -16.249 -23.697 17.440 1.00 0.00 C ATOM 1561 CG2 ILE A 108 -15.381 -25.944 18.142 1.00 0.00 C ATOM 1562 CD1 ILE A 108 -15.992 -22.479 16.581 1.00 0.00 C ATOM 0 H ILE A 108 -12.826 -25.526 18.871 1.00 0.00 H new ATOM 0 HA ILE A 108 -13.930 -22.830 18.458 1.00 0.00 H new ATOM 0 HB ILE A 108 -14.442 -24.619 16.760 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -17.005 -24.318 16.959 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -16.661 -23.376 18.397 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -16.014 -26.408 17.386 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -14.479 -26.541 18.277 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -15.924 -25.889 19.086 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -16.922 -21.928 16.443 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -15.259 -21.837 17.070 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -15.609 -22.793 15.610 1.00 0.00 H new ATOM 1574 N VAL A 109 -15.476 -22.801 20.439 1.00 0.00 N ATOM 1575 CA VAL A 109 -16.199 -22.705 21.702 1.00 0.00 C ATOM 1576 C VAL A 109 -17.649 -22.292 21.475 1.00 0.00 C ATOM 1577 O VAL A 109 -18.299 -21.753 22.370 1.00 0.00 O ATOM 1578 CB VAL A 109 -15.533 -21.695 22.655 1.00 0.00 C ATOM 1579 CG1 VAL A 109 -14.136 -22.162 23.036 1.00 0.00 C ATOM 1580 CG2 VAL A 109 -15.488 -20.314 22.020 1.00 0.00 C ATOM 0 H VAL A 109 -15.529 -21.964 19.858 1.00 0.00 H new ATOM 0 HA VAL A 109 -16.173 -23.695 22.157 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.130 -21.632 23.565 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -13.681 -21.436 23.710 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -14.199 -23.129 23.534 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -13.526 -22.256 22.138 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -15.014 -19.613 22.707 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.915 -20.358 21.094 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -16.503 -19.980 21.803 1.00 0.00 H new