USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=25 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 Single : A 20 THR OG1 : rot -30:sc= 0.18 USER MOD Single : A 22 THR OG1 : rot 45:sc= 0.455 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 -172:sc= -0.229 (180deg=-0.419) USER MOD Single : A 35 THR OG1 : rot -109:sc= 0.0161 USER MOD Single : A 38 MET CE :methyl 180:sc= -0.224 (180deg=-0.224) USER MOD Single : A 45 LYS NZ :NH3+ 152:sc= -0.0298 (180deg=-0.194) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.00381 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.84 K(o=-1.8,f=-5.5!) USER MOD Single : A 68 THR OG1 : rot -38:sc= 0.701 USER MOD Single : A 69 SER OG : rot 47:sc= 1.17 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.195 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 76 LYS NZ :NH3+ -146:sc= -0.208 (180deg=-0.841) USER MOD Single : A 77 SER OG : rot 180:sc= -0.207 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 30: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+ 173:sc= 0 (180deg=-0.013) USER MOD Single : A 97 LYS NZ :NH3+ 170:sc= -0.754 (180deg=-0.764) USER MOD Single : A 99 THR OG1 : rot 86:sc= 0.145 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 282 N THR A 20 -2.484 -17.726 8.223 1.00 0.00 N ATOM 283 CA THR A 20 -3.524 -18.221 7.330 1.00 0.00 C ATOM 284 C THR A 20 -2.922 -18.963 6.143 1.00 0.00 C ATOM 285 O THR A 20 -1.759 -18.758 5.796 1.00 0.00 O ATOM 286 CB THR A 20 -4.409 -17.073 6.809 1.00 0.00 C ATOM 287 OG1 THR A 20 -3.590 -16.010 6.309 1.00 0.00 O ATOM 288 CG2 THR A 20 -5.317 -16.546 7.910 1.00 0.00 C ATOM 0 HA THR A 20 -4.139 -18.909 7.910 1.00 0.00 H new ATOM 0 HB THR A 20 -5.031 -17.462 6.003 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.740 -15.995 6.796 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.932 -15.736 7.518 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.960 -17.350 8.267 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.710 -16.174 8.735 1.00 0.00 H new ATOM 296 N ALA A 21 -3.721 -19.825 5.522 1.00 0.00 N ATOM 297 CA ALA A 21 -3.267 -20.596 4.372 1.00 0.00 C ATOM 298 C ALA A 21 -3.902 -20.084 3.083 1.00 0.00 C ATOM 299 O ALA A 21 -5.039 -19.610 3.084 1.00 0.00 O ATOM 300 CB ALA A 21 -3.581 -22.071 4.568 1.00 0.00 C ATOM 0 H ALA A 21 -4.686 -20.007 5.797 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.187 -20.474 4.287 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.236 -22.635 3.701 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.075 -22.435 5.462 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.657 -22.202 4.681 1.00 0.00 H new ATOM 306 N THR A 22 -3.161 -20.182 1.984 1.00 0.00 N ATOM 307 CA THR A 22 -3.652 -19.728 0.689 1.00 0.00 C ATOM 308 C THR A 22 -3.563 -20.837 -0.353 1.00 0.00 C ATOM 309 O THR A 22 -2.501 -21.079 -0.927 1.00 0.00 O ATOM 310 CB THR A 22 -2.863 -18.504 0.187 1.00 0.00 C ATOM 311 OG1 THR A 22 -1.458 -18.777 0.225 1.00 0.00 O ATOM 312 CG2 THR A 22 -3.169 -17.278 1.034 1.00 0.00 C ATOM 0 H THR A 22 -2.219 -20.572 1.965 1.00 0.00 H new ATOM 0 HA THR A 22 -4.696 -19.447 0.828 1.00 0.00 H new ATOM 0 HB THR A 22 -3.166 -18.301 -0.840 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.289 -19.672 -0.137 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.600 -16.426 0.660 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.235 -17.055 0.979 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.892 -17.473 2.070 1.00 0.00 H new ATOM 320 N ALA A 23 -4.684 -21.509 -0.593 1.00 0.00 N ATOM 321 CA ALA A 23 -4.732 -22.591 -1.568 1.00 0.00 C ATOM 322 C ALA A 23 -4.999 -22.055 -2.970 1.00 0.00 C ATOM 323 O ALA A 23 -5.560 -20.974 -3.152 1.00 0.00 O ATOM 324 CB ALA A 23 -5.797 -23.606 -1.178 1.00 0.00 C ATOM 0 H ALA A 23 -5.571 -21.323 -0.125 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.760 -23.084 -1.575 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.822 -24.409 -1.915 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.563 -24.021 -0.198 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.770 -23.116 -1.142 1.00 0.00 H new ATOM 330 N PRO A 24 -4.587 -22.826 -3.988 1.00 0.00 N ATOM 331 CA PRO A 24 -4.771 -22.448 -5.392 1.00 0.00 C ATOM 332 C PRO A 24 -6.234 -22.497 -5.819 1.00 0.00 C ATOM 333 O PRO A 24 -6.560 -22.257 -6.981 1.00 0.00 O ATOM 334 CB PRO A 24 -3.957 -23.500 -6.152 1.00 0.00 C ATOM 335 CG PRO A 24 -3.922 -24.680 -5.244 1.00 0.00 C ATOM 336 CD PRO A 24 -3.911 -24.127 -3.845 1.00 0.00 C ATOM 0 HA PRO A 24 -4.453 -21.423 -5.583 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.423 -23.748 -7.106 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -2.952 -23.140 -6.372 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -4.789 -25.321 -5.403 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.037 -25.289 -5.430 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.439 -24.780 -3.150 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -2.895 -24.013 -3.466 1.00 0.00 H new ATOM 344 N GLY A 25 -7.112 -22.807 -4.871 1.00 0.00 N ATOM 345 CA GLY A 25 -8.531 -22.881 -5.169 1.00 0.00 C ATOM 346 C GLY A 25 -8.900 -24.142 -5.924 1.00 0.00 C ATOM 347 O GLY A 25 -8.251 -24.498 -6.907 1.00 0.00 O ATOM 0 H GLY A 25 -6.867 -23.008 -3.902 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.097 -22.840 -4.238 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.821 -22.011 -5.758 1.00 0.00 H new ATOM 351 N GLY A 26 -9.945 -24.822 -5.463 1.00 0.00 N ATOM 352 CA GLY A 26 -10.380 -26.045 -6.112 1.00 0.00 C ATOM 353 C GLY A 26 -11.818 -26.396 -5.784 1.00 0.00 C ATOM 354 O GLY A 26 -12.193 -27.569 -5.782 1.00 0.00 O ATOM 0 H GLY A 26 -10.498 -24.548 -4.651 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.273 -25.938 -7.191 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.730 -26.865 -5.807 1.00 0.00 H new ATOM 358 N LEU A 27 -12.624 -25.379 -5.503 1.00 0.00 N ATOM 359 CA LEU A 27 -14.029 -25.586 -5.170 1.00 0.00 C ATOM 360 C LEU A 27 -14.817 -26.048 -6.391 1.00 0.00 C ATOM 361 O LEU A 27 -14.302 -26.052 -7.509 1.00 0.00 O ATOM 362 CB LEU A 27 -14.638 -24.296 -4.615 1.00 0.00 C ATOM 363 CG LEU A 27 -14.574 -24.123 -3.097 1.00 0.00 C ATOM 364 CD1 LEU A 27 -13.301 -23.394 -2.695 1.00 0.00 C ATOM 365 CD2 LEU A 27 -15.800 -23.375 -2.594 1.00 0.00 C ATOM 0 H LEU A 27 -12.329 -24.403 -5.499 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.084 -26.364 -4.409 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.131 -23.450 -5.079 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.683 -24.249 -4.922 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.562 -25.112 -2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.274 -23.280 -1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.434 -23.968 -3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.282 -22.410 -3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.738 -23.261 -1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.843 -22.391 -3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.699 -23.937 -2.849 1.00 0.00 H new ATOM 377 N SER A 28 -16.069 -26.436 -6.170 1.00 0.00 N ATOM 378 CA SER A 28 -16.927 -26.902 -7.253 1.00 0.00 C ATOM 379 C SER A 28 -18.160 -26.013 -7.389 1.00 0.00 C ATOM 380 O SER A 28 -18.915 -26.125 -8.355 1.00 0.00 O ATOM 381 CB SER A 28 -17.354 -28.351 -7.006 1.00 0.00 C ATOM 382 OG SER A 28 -16.419 -29.259 -7.561 1.00 0.00 O ATOM 0 H SER A 28 -16.512 -26.437 -5.251 1.00 0.00 H new ATOM 0 HA SER A 28 -16.359 -26.851 -8.182 1.00 0.00 H new ATOM 0 HB2 SER A 28 -17.446 -28.529 -5.935 1.00 0.00 H new ATOM 0 HB3 SER A 28 -18.337 -28.523 -7.444 1.00 0.00 H new ATOM 0 HG SER A 28 -16.713 -30.178 -7.389 1.00 0.00 H new ATOM 388 N ALA A 29 -18.356 -25.131 -6.415 1.00 0.00 N ATOM 389 CA ALA A 29 -19.495 -24.221 -6.427 1.00 0.00 C ATOM 390 C ALA A 29 -19.255 -23.029 -5.507 1.00 0.00 C ATOM 391 O ALA A 29 -18.257 -22.978 -4.787 1.00 0.00 O ATOM 392 CB ALA A 29 -20.763 -24.957 -6.020 1.00 0.00 C ATOM 0 H ALA A 29 -17.741 -25.027 -5.608 1.00 0.00 H new ATOM 0 HA ALA A 29 -19.617 -23.844 -7.443 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -21.605 -24.265 -6.033 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -20.951 -25.772 -6.719 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -20.642 -25.362 -5.015 1.00 0.00 H new ATOM 398 N LYS A 30 -20.175 -22.071 -5.535 1.00 0.00 N ATOM 399 CA LYS A 30 -20.065 -20.879 -4.703 1.00 0.00 C ATOM 400 C LYS A 30 -20.390 -21.199 -3.247 1.00 0.00 C ATOM 401 O LYS A 30 -21.344 -21.921 -2.959 1.00 0.00 O ATOM 402 CB LYS A 30 -21.002 -19.784 -5.217 1.00 0.00 C ATOM 403 CG LYS A 30 -22.458 -20.213 -5.287 1.00 0.00 C ATOM 404 CD LYS A 30 -23.354 -19.073 -5.740 1.00 0.00 C ATOM 405 CE LYS A 30 -24.664 -19.589 -6.315 1.00 0.00 C ATOM 406 NZ LYS A 30 -25.439 -18.508 -6.985 1.00 0.00 N ATOM 0 H LYS A 30 -21.006 -22.097 -6.126 1.00 0.00 H new ATOM 0 HA LYS A 30 -19.036 -20.523 -4.757 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -20.920 -18.912 -4.568 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -20.675 -19.474 -6.210 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -22.558 -21.052 -5.976 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -22.782 -20.565 -4.307 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -23.560 -18.414 -4.897 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -22.835 -18.477 -6.491 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -24.458 -20.385 -7.030 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -25.264 -20.025 -5.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -26.325 -18.900 -7.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -25.658 -17.760 -6.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -24.876 -18.109 -7.763 1.00 0.00 H new ATOM 420 N ALA A 31 -19.592 -20.655 -2.334 1.00 0.00 N ATOM 421 CA ALA A 31 -19.798 -20.880 -0.908 1.00 0.00 C ATOM 422 C ALA A 31 -19.434 -19.640 -0.099 1.00 0.00 C ATOM 423 O ALA A 31 -18.435 -18.970 -0.360 1.00 0.00 O ATOM 424 CB ALA A 31 -18.983 -22.077 -0.440 1.00 0.00 C ATOM 0 H ALA A 31 -18.797 -20.056 -2.556 1.00 0.00 H new ATOM 0 HA ALA A 31 -20.856 -21.089 -0.747 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -19.146 -22.234 0.626 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -19.294 -22.966 -0.989 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -17.925 -21.890 -0.622 1.00 0.00 H new ATOM 430 N PRO A 32 -20.263 -19.326 0.908 1.00 0.00 N ATOM 431 CA PRO A 32 -20.049 -18.164 1.776 1.00 0.00 C ATOM 432 C PRO A 32 -18.844 -18.341 2.694 1.00 0.00 C ATOM 433 O PRO A 32 -18.399 -19.462 2.941 1.00 0.00 O ATOM 434 CB PRO A 32 -21.339 -18.092 2.596 1.00 0.00 C ATOM 435 CG PRO A 32 -21.864 -19.486 2.601 1.00 0.00 C ATOM 436 CD PRO A 32 -21.473 -20.080 1.276 1.00 0.00 C ATOM 0 HA PRO A 32 -19.840 -17.260 1.204 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -21.145 -17.739 3.609 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -22.054 -17.401 2.149 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -21.441 -20.059 3.426 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -22.946 -19.495 2.729 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -21.271 -21.148 1.358 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -22.262 -19.961 0.534 1.00 0.00 H new ATOM 444 N ALA A 33 -18.320 -17.228 3.196 1.00 0.00 N ATOM 445 CA ALA A 33 -17.168 -17.260 4.088 1.00 0.00 C ATOM 446 C ALA A 33 -17.585 -17.619 5.510 1.00 0.00 C ATOM 447 O ALA A 33 -18.747 -17.935 5.765 1.00 0.00 O ATOM 448 CB ALA A 33 -16.448 -15.920 4.070 1.00 0.00 C ATOM 0 H ALA A 33 -18.675 -16.292 3.000 1.00 0.00 H new ATOM 0 HA ALA A 33 -16.485 -18.031 3.731 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.590 -15.959 4.741 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.107 -15.704 3.057 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -17.130 -15.136 4.399 1.00 0.00 H new ATOM 454 N MET A 34 -16.630 -17.570 6.433 1.00 0.00 N ATOM 455 CA MET A 34 -16.899 -17.890 7.830 1.00 0.00 C ATOM 456 C MET A 34 -17.466 -19.300 7.965 1.00 0.00 C ATOM 457 O MET A 34 -18.513 -19.503 8.580 1.00 0.00 O ATOM 458 CB MET A 34 -17.876 -16.876 8.428 1.00 0.00 C ATOM 459 CG MET A 34 -17.224 -15.556 8.810 1.00 0.00 C ATOM 460 SD MET A 34 -15.834 -15.769 9.938 1.00 0.00 S ATOM 461 CE MET A 34 -16.649 -16.534 11.338 1.00 0.00 C ATOM 0 H MET A 34 -15.663 -17.312 6.238 1.00 0.00 H new ATOM 0 HA MET A 34 -15.957 -17.842 8.376 1.00 0.00 H new ATOM 0 HB2 MET A 34 -18.673 -16.684 7.709 1.00 0.00 H new ATOM 0 HB3 MET A 34 -18.342 -17.311 9.312 1.00 0.00 H new ATOM 0 HG2 MET A 34 -16.880 -15.050 7.908 1.00 0.00 H new ATOM 0 HG3 MET A 34 -17.968 -14.909 9.274 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.952 -16.599 12.174 1.00 0.00 H new ATOM 0 HE2 MET A 34 -17.511 -15.934 11.630 1.00 0.00 H new ATOM 0 HE3 MET A 34 -16.981 -17.535 11.063 1.00 0.00 H new ATOM 471 N THR A 35 -16.767 -20.272 7.387 1.00 0.00 N ATOM 472 CA THR A 35 -17.201 -21.662 7.441 1.00 0.00 C ATOM 473 C THR A 35 -16.027 -22.613 7.240 1.00 0.00 C ATOM 474 O THR A 35 -15.042 -22.290 6.575 1.00 0.00 O ATOM 475 CB THR A 35 -18.275 -21.957 6.377 1.00 0.00 C ATOM 476 OG1 THR A 35 -17.713 -21.834 5.066 1.00 0.00 O ATOM 477 CG2 THR A 35 -19.454 -21.007 6.521 1.00 0.00 C ATOM 0 H THR A 35 -15.897 -20.122 6.876 1.00 0.00 H new ATOM 0 HA THR A 35 -17.628 -21.821 8.431 1.00 0.00 H new ATOM 0 HB THR A 35 -18.631 -22.977 6.524 1.00 0.00 H new ATOM 0 HG1 THR A 35 -18.068 -21.030 4.632 1.00 0.00 H new ATOM 0 HG21 THR A 35 -20.200 -21.234 5.759 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.898 -21.125 7.510 1.00 0.00 H new ATOM 0 HG23 THR A 35 -19.111 -19.980 6.398 1.00 0.00 H new ATOM 485 N PRO A 36 -16.130 -23.815 7.826 1.00 0.00 N ATOM 486 CA PRO A 36 -15.086 -24.838 7.723 1.00 0.00 C ATOM 487 C PRO A 36 -14.983 -25.423 6.318 1.00 0.00 C ATOM 488 O PRO A 36 -15.982 -25.533 5.606 1.00 0.00 O ATOM 489 CB PRO A 36 -15.541 -25.910 8.716 1.00 0.00 C ATOM 490 CG PRO A 36 -17.017 -25.739 8.809 1.00 0.00 C ATOM 491 CD PRO A 36 -17.275 -24.268 8.633 1.00 0.00 C ATOM 0 HA PRO A 36 -14.097 -24.433 7.935 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.280 -26.909 8.367 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.065 -25.777 9.688 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -17.526 -26.319 8.040 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.391 -26.088 9.772 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -18.222 -24.084 8.126 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -17.321 -23.751 9.591 1.00 0.00 H new ATOM 499 N LEU A 37 -13.770 -25.796 5.925 1.00 0.00 N ATOM 500 CA LEU A 37 -13.537 -26.371 4.605 1.00 0.00 C ATOM 501 C LEU A 37 -12.669 -27.622 4.701 1.00 0.00 C ATOM 502 O LEU A 37 -12.068 -27.894 5.740 1.00 0.00 O ATOM 503 CB LEU A 37 -12.870 -25.342 3.690 1.00 0.00 C ATOM 504 CG LEU A 37 -13.349 -23.898 3.843 1.00 0.00 C ATOM 505 CD1 LEU A 37 -12.294 -22.929 3.331 1.00 0.00 C ATOM 506 CD2 LEU A 37 -14.666 -23.692 3.110 1.00 0.00 C ATOM 0 H LEU A 37 -12.933 -25.711 6.502 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.502 -26.653 4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.795 -25.368 3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.028 -25.648 2.656 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.512 -23.700 4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.652 -21.906 3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.374 -23.059 3.901 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.099 -23.127 2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -14.991 -22.659 3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.531 -23.909 2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.421 -24.361 3.524 1.00 0.00 H new ATOM 518 N MET A 38 -12.607 -28.377 3.609 1.00 0.00 N ATOM 519 CA MET A 38 -11.809 -29.597 3.570 1.00 0.00 C ATOM 520 C MET A 38 -10.690 -29.482 2.539 1.00 0.00 C ATOM 521 O MET A 38 -10.856 -28.848 1.496 1.00 0.00 O ATOM 522 CB MET A 38 -12.695 -30.801 3.245 1.00 0.00 C ATOM 523 CG MET A 38 -13.182 -30.827 1.805 1.00 0.00 C ATOM 524 SD MET A 38 -13.459 -32.500 1.195 1.00 0.00 S ATOM 525 CE MET A 38 -15.077 -32.848 1.881 1.00 0.00 C ATOM 0 H MET A 38 -13.099 -28.166 2.741 1.00 0.00 H new ATOM 0 HA MET A 38 -11.360 -29.740 4.553 1.00 0.00 H new ATOM 0 HB2 MET A 38 -12.139 -31.716 3.448 1.00 0.00 H new ATOM 0 HB3 MET A 38 -13.557 -30.797 3.911 1.00 0.00 H new ATOM 0 HG2 MET A 38 -14.109 -30.259 1.729 1.00 0.00 H new ATOM 0 HG3 MET A 38 -12.450 -30.329 1.169 1.00 0.00 H new ATOM 0 HE1 MET A 38 -15.387 -33.852 1.590 1.00 0.00 H new ATOM 0 HE2 MET A 38 -15.033 -32.783 2.968 1.00 0.00 H new ATOM 0 HE3 MET A 38 -15.796 -32.122 1.503 1.00 0.00 H new ATOM 535 N LEU A 39 -9.551 -30.098 2.838 1.00 0.00 N ATOM 536 CA LEU A 39 -8.404 -30.064 1.937 1.00 0.00 C ATOM 537 C LEU A 39 -8.181 -31.426 1.289 1.00 0.00 C ATOM 538 O LEU A 39 -8.131 -32.449 1.972 1.00 0.00 O ATOM 539 CB LEU A 39 -7.147 -29.635 2.696 1.00 0.00 C ATOM 540 CG LEU A 39 -5.826 -29.773 1.939 1.00 0.00 C ATOM 541 CD1 LEU A 39 -5.590 -28.559 1.053 1.00 0.00 C ATOM 542 CD2 LEU A 39 -4.670 -29.959 2.911 1.00 0.00 C ATOM 0 H LEU A 39 -9.397 -30.627 3.697 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.611 -29.338 1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.265 -28.593 2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.081 -30.223 3.611 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.884 -30.656 1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.645 -28.674 0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.403 -28.471 0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.552 -27.661 1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.738 -30.055 2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.609 -29.096 3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.834 -30.860 3.503 1.00 0.00 H new ATOM 626 N LYS A 45 -5.974 -29.428 -3.030 1.00 0.00 N ATOM 627 CA LYS A 45 -6.738 -28.199 -3.206 1.00 0.00 C ATOM 628 C LYS A 45 -7.676 -27.969 -2.025 1.00 0.00 C ATOM 629 O LYS A 45 -7.977 -28.893 -1.269 1.00 0.00 O ATOM 630 CB LYS A 45 -7.542 -28.255 -4.507 1.00 0.00 C ATOM 631 CG LYS A 45 -8.446 -29.471 -4.611 1.00 0.00 C ATOM 632 CD LYS A 45 -8.944 -29.675 -6.032 1.00 0.00 C ATOM 633 CE LYS A 45 -9.779 -30.941 -6.153 1.00 0.00 C ATOM 634 NZ LYS A 45 -11.127 -30.776 -5.542 1.00 0.00 N ATOM 0 HA LYS A 45 -6.035 -27.367 -3.257 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.149 -27.353 -4.588 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.852 -28.252 -5.351 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.904 -30.358 -4.284 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.297 -29.352 -3.940 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.539 -28.814 -6.337 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.094 -29.732 -6.712 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.887 -31.206 -7.205 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.259 -31.767 -5.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.804 -31.405 -6.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.082 -31.019 -4.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.437 -29.789 -5.647 1.00 0.00 H new ATOM 648 N LEU A 46 -8.137 -26.732 -1.875 1.00 0.00 N ATOM 649 CA LEU A 46 -9.044 -26.380 -0.787 1.00 0.00 C ATOM 650 C LEU A 46 -10.475 -26.237 -1.296 1.00 0.00 C ATOM 651 O LEU A 46 -10.757 -25.407 -2.160 1.00 0.00 O ATOM 652 CB LEU A 46 -8.593 -25.078 -0.123 1.00 0.00 C ATOM 653 CG LEU A 46 -8.826 -24.979 1.385 1.00 0.00 C ATOM 654 CD1 LEU A 46 -10.188 -25.547 1.754 1.00 0.00 C ATOM 655 CD2 LEU A 46 -7.722 -25.700 2.144 1.00 0.00 C ATOM 0 H LEU A 46 -7.898 -25.956 -2.492 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.019 -27.183 -0.051 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.528 -24.945 -0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.110 -24.249 -0.606 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.806 -23.926 1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.336 -25.468 2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.968 -24.986 1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.238 -26.595 1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.904 -25.619 3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.710 -26.751 1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.760 -25.247 1.904 1.00 0.00 H new ATOM 667 N VAL A 47 -11.375 -27.050 -0.751 1.00 0.00 N ATOM 668 CA VAL A 47 -12.777 -27.012 -1.147 1.00 0.00 C ATOM 669 C VAL A 47 -13.693 -27.009 0.072 1.00 0.00 C ATOM 670 O VAL A 47 -13.313 -27.473 1.147 1.00 0.00 O ATOM 671 CB VAL A 47 -13.140 -28.209 -2.045 1.00 0.00 C ATOM 672 CG1 VAL A 47 -12.091 -28.401 -3.129 1.00 0.00 C ATOM 673 CG2 VAL A 47 -13.294 -29.472 -1.211 1.00 0.00 C ATOM 0 H VAL A 47 -11.158 -27.742 -0.034 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.922 -26.089 -1.709 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.094 -28.002 -2.529 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.365 -29.251 -3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.034 -27.503 -3.744 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.121 -28.587 -2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -13.551 -30.308 -1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -12.356 -29.686 -0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -14.086 -29.328 -0.476 1.00 0.00 H new ATOM 683 N ALA A 48 -14.900 -26.483 -0.103 1.00 0.00 N ATOM 684 CA ALA A 48 -15.871 -26.421 0.983 1.00 0.00 C ATOM 685 C ALA A 48 -16.067 -27.792 1.622 1.00 0.00 C ATOM 686 O ALA A 48 -15.973 -28.819 0.950 1.00 0.00 O ATOM 687 CB ALA A 48 -17.199 -25.880 0.473 1.00 0.00 C ATOM 0 H ALA A 48 -15.229 -26.093 -0.986 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.484 -25.745 1.746 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -17.915 -25.839 1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -17.053 -24.878 0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -17.582 -26.535 -0.310 1.00 0.00 H new ATOM 693 N TRP A 49 -16.340 -27.800 2.922 1.00 0.00 N ATOM 694 CA TRP A 49 -16.548 -29.045 3.651 1.00 0.00 C ATOM 695 C TRP A 49 -17.859 -29.706 3.238 1.00 0.00 C ATOM 696 O TRP A 49 -18.826 -29.025 2.895 1.00 0.00 O ATOM 697 CB TRP A 49 -16.547 -28.784 5.158 1.00 0.00 C ATOM 698 CG TRP A 49 -16.763 -30.021 5.976 1.00 0.00 C ATOM 699 CD1 TRP A 49 -16.286 -31.273 5.710 1.00 0.00 C ATOM 700 CD2 TRP A 49 -17.512 -30.125 7.192 1.00 0.00 C ATOM 701 NE1 TRP A 49 -16.694 -32.149 6.687 1.00 0.00 N ATOM 702 CE2 TRP A 49 -17.446 -31.470 7.608 1.00 0.00 C ATOM 703 CE3 TRP A 49 -18.230 -29.214 7.970 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -18.072 -31.921 8.766 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -18.851 -29.664 9.120 1.00 0.00 C ATOM 706 CH2 TRP A 49 -18.769 -31.007 9.509 1.00 0.00 C ATOM 0 H TRP A 49 -16.422 -26.958 3.492 1.00 0.00 H new ATOM 0 HA TRP A 49 -15.729 -29.721 3.406 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -15.596 -28.332 5.440 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -17.327 -28.060 5.394 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -15.678 -31.536 4.857 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -16.472 -33.144 6.721 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -18.299 -28.176 7.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -18.010 -32.956 9.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -19.409 -28.968 9.729 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -19.265 -31.328 10.413 1.00 0.00 H new ATOM 717 N ASP A 50 -17.884 -31.033 3.272 1.00 0.00 N ATOM 718 CA ASP A 50 -19.077 -31.785 2.902 1.00 0.00 C ATOM 719 C ASP A 50 -20.137 -31.695 3.996 1.00 0.00 C ATOM 720 O ASP A 50 -21.316 -31.484 3.716 1.00 0.00 O ATOM 721 CB ASP A 50 -18.722 -33.249 2.638 1.00 0.00 C ATOM 722 CG ASP A 50 -19.749 -33.947 1.768 1.00 0.00 C ATOM 723 OD1 ASP A 50 -20.510 -33.244 1.071 1.00 0.00 O ATOM 724 OD2 ASP A 50 -19.793 -35.195 1.786 1.00 0.00 O ATOM 0 H ASP A 50 -17.091 -31.611 3.552 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.484 -31.348 1.990 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -17.746 -33.302 2.156 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -18.637 -33.776 3.588 1.00 0.00 H new ATOM 729 N GLY A 51 -19.708 -31.859 5.244 1.00 0.00 N ATOM 730 CA GLY A 51 -20.633 -31.794 6.360 1.00 0.00 C ATOM 731 C GLY A 51 -20.786 -33.128 7.064 1.00 0.00 C ATOM 732 O GLY A 51 -21.195 -33.183 8.224 1.00 0.00 O ATOM 0 H GLY A 51 -18.737 -32.036 5.502 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.285 -31.048 7.074 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.607 -31.462 6.002 1.00 0.00 H new ATOM 736 N THR A 52 -20.460 -34.208 6.360 1.00 0.00 N ATOM 737 CA THR A 52 -20.567 -35.548 6.923 1.00 0.00 C ATOM 738 C THR A 52 -19.197 -36.091 7.312 1.00 0.00 C ATOM 739 O THR A 52 -18.988 -36.524 8.446 1.00 0.00 O ATOM 740 CB THR A 52 -21.231 -36.522 5.932 1.00 0.00 C ATOM 741 OG1 THR A 52 -20.667 -36.352 4.626 1.00 0.00 O ATOM 742 CG2 THR A 52 -22.734 -36.295 5.874 1.00 0.00 C ATOM 0 H THR A 52 -20.120 -34.180 5.399 1.00 0.00 H new ATOM 0 HA THR A 52 -21.190 -35.468 7.814 1.00 0.00 H new ATOM 0 HB THR A 52 -21.047 -37.539 6.278 1.00 0.00 H new ATOM 0 HG1 THR A 52 -21.093 -36.976 4.002 1.00 0.00 H new ATOM 0 HG21 THR A 52 -23.181 -36.995 5.167 1.00 0.00 H new ATOM 0 HG22 THR A 52 -23.164 -36.454 6.863 1.00 0.00 H new ATOM 0 HG23 THR A 52 -22.936 -35.274 5.550 1.00 0.00 H new ATOM 750 N THR A 53 -18.264 -36.066 6.365 1.00 0.00 N ATOM 751 CA THR A 53 -16.914 -36.557 6.608 1.00 0.00 C ATOM 752 C THR A 53 -16.412 -36.125 7.981 1.00 0.00 C ATOM 753 O THR A 53 -16.226 -34.936 8.239 1.00 0.00 O ATOM 754 CB THR A 53 -15.931 -36.055 5.534 1.00 0.00 C ATOM 755 OG1 THR A 53 -16.374 -36.466 4.235 1.00 0.00 O ATOM 756 CG2 THR A 53 -14.530 -36.588 5.790 1.00 0.00 C ATOM 0 H THR A 53 -18.420 -35.710 5.422 1.00 0.00 H new ATOM 0 HA THR A 53 -16.961 -37.645 6.566 1.00 0.00 H new ATOM 0 HB THR A 53 -15.901 -34.966 5.580 1.00 0.00 H new ATOM 0 HG1 THR A 53 -15.745 -36.142 3.557 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.854 -36.220 5.018 1.00 0.00 H new ATOM 0 HG22 THR A 53 -14.185 -36.249 6.767 1.00 0.00 H new ATOM 0 HG23 THR A 53 -14.546 -37.678 5.769 1.00 0.00 H new ATOM 764 N ASP A 54 -16.193 -37.098 8.859 1.00 0.00 N ATOM 765 CA ASP A 54 -15.709 -36.819 10.206 1.00 0.00 C ATOM 766 C ASP A 54 -14.261 -36.342 10.176 1.00 0.00 C ATOM 767 O ASP A 54 -13.395 -36.992 9.591 1.00 0.00 O ATOM 768 CB ASP A 54 -15.831 -38.065 11.083 1.00 0.00 C ATOM 769 CG ASP A 54 -15.347 -39.318 10.380 1.00 0.00 C ATOM 770 OD1 ASP A 54 -16.140 -39.916 9.623 1.00 0.00 O ATOM 771 OD2 ASP A 54 -14.176 -39.700 10.586 1.00 0.00 O ATOM 0 H ASP A 54 -16.343 -38.087 8.662 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.325 -36.025 10.629 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.256 -37.920 11.997 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -16.872 -38.197 11.379 1.00 0.00 H new ATOM 776 N GLY A 55 -14.004 -35.201 10.809 1.00 0.00 N ATOM 777 CA GLY A 55 -12.660 -34.657 10.842 1.00 0.00 C ATOM 778 C GLY A 55 -12.180 -34.214 9.474 1.00 0.00 C ATOM 779 O GLY A 55 -10.993 -34.309 9.164 1.00 0.00 O ATOM 0 H GLY A 55 -14.704 -34.644 11.300 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.631 -33.809 11.526 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.977 -35.409 11.238 1.00 0.00 H new ATOM 783 N ALA A 56 -13.106 -33.730 8.652 1.00 0.00 N ATOM 784 CA ALA A 56 -12.772 -33.270 7.310 1.00 0.00 C ATOM 785 C ALA A 56 -12.403 -31.791 7.312 1.00 0.00 C ATOM 786 O ALA A 56 -11.640 -31.331 6.463 1.00 0.00 O ATOM 787 CB ALA A 56 -13.932 -33.526 6.360 1.00 0.00 C ATOM 0 H ALA A 56 -14.094 -33.646 8.893 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.904 -33.833 6.966 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.668 -33.177 5.361 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.146 -34.594 6.327 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.814 -32.990 6.710 1.00 0.00 H new ATOM 793 N ALA A 57 -12.950 -31.051 8.271 1.00 0.00 N ATOM 794 CA ALA A 57 -12.677 -29.623 8.383 1.00 0.00 C ATOM 795 C ALA A 57 -11.219 -29.370 8.752 1.00 0.00 C ATOM 796 O ALA A 57 -10.749 -29.808 9.802 1.00 0.00 O ATOM 797 CB ALA A 57 -13.601 -28.989 9.412 1.00 0.00 C ATOM 0 H ALA A 57 -13.584 -31.416 8.981 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.863 -29.165 7.412 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.387 -27.923 9.486 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.638 -29.130 9.106 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -13.442 -29.459 10.382 1.00 0.00 H new ATOM 803 N VAL A 58 -10.507 -28.662 7.880 1.00 0.00 N ATOM 804 CA VAL A 58 -9.102 -28.351 8.115 1.00 0.00 C ATOM 805 C VAL A 58 -8.917 -26.881 8.472 1.00 0.00 C ATOM 806 O VAL A 58 -7.963 -26.512 9.155 1.00 0.00 O ATOM 807 CB VAL A 58 -8.241 -28.681 6.881 1.00 0.00 C ATOM 808 CG1 VAL A 58 -8.376 -30.150 6.513 1.00 0.00 C ATOM 809 CG2 VAL A 58 -8.628 -27.791 5.709 1.00 0.00 C ATOM 0 H VAL A 58 -10.880 -28.293 7.005 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.776 -28.969 8.952 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.197 -28.488 7.126 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.761 -30.364 5.639 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -8.046 -30.766 7.349 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.418 -30.374 6.287 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.010 -28.037 4.846 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.677 -27.951 5.462 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.474 -26.746 5.979 1.00 0.00 H new ATOM 819 N GLY A 59 -9.838 -26.043 8.004 1.00 0.00 N ATOM 820 CA GLY A 59 -9.759 -24.622 8.285 1.00 0.00 C ATOM 821 C GLY A 59 -11.055 -23.897 7.980 1.00 0.00 C ATOM 822 O GLY A 59 -11.983 -24.481 7.418 1.00 0.00 O ATOM 0 H GLY A 59 -10.637 -26.324 7.435 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.503 -24.476 9.334 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.954 -24.183 7.696 1.00 0.00 H new ATOM 826 N ILE A 60 -11.121 -22.624 8.352 1.00 0.00 N ATOM 827 CA ILE A 60 -12.314 -21.820 8.116 1.00 0.00 C ATOM 828 C ILE A 60 -12.051 -20.740 7.072 1.00 0.00 C ATOM 829 O ILE A 60 -11.115 -19.949 7.203 1.00 0.00 O ATOM 830 CB ILE A 60 -12.811 -21.154 9.413 1.00 0.00 C ATOM 831 CG1 ILE A 60 -12.952 -22.196 10.525 1.00 0.00 C ATOM 832 CG2 ILE A 60 -14.136 -20.447 9.171 1.00 0.00 C ATOM 833 CD1 ILE A 60 -12.882 -21.607 11.916 1.00 0.00 C ATOM 0 H ILE A 60 -10.362 -22.126 8.818 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.084 -22.499 7.748 1.00 0.00 H new ATOM 0 HB ILE A 60 -12.078 -20.411 9.727 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.903 -22.716 10.407 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.165 -22.942 10.415 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -14.474 -19.981 10.097 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -14.006 -19.681 8.406 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -14.879 -21.171 8.836 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -12.989 -22.402 12.654 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.921 -21.112 12.053 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -13.686 -20.882 12.045 1.00 0.00 H new ATOM 845 N LEU A 61 -12.883 -20.710 6.037 1.00 0.00 N ATOM 846 CA LEU A 61 -12.742 -19.725 4.970 1.00 0.00 C ATOM 847 C LEU A 61 -12.957 -18.312 5.502 1.00 0.00 C ATOM 848 O LEU A 61 -13.999 -18.008 6.083 1.00 0.00 O ATOM 849 CB LEU A 61 -13.738 -20.016 3.846 1.00 0.00 C ATOM 850 CG LEU A 61 -13.288 -19.633 2.435 1.00 0.00 C ATOM 851 CD1 LEU A 61 -14.487 -19.510 1.508 1.00 0.00 C ATOM 852 CD2 LEU A 61 -12.497 -18.334 2.462 1.00 0.00 C ATOM 0 H LEU A 61 -13.662 -21.356 5.914 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.728 -19.795 4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -13.966 -21.082 3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -14.667 -19.489 4.065 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.639 -20.422 2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -14.148 -19.237 0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -15.013 -20.464 1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -15.161 -18.741 1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -12.185 -18.077 1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.122 -17.536 2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -11.617 -18.457 3.093 1.00 0.00 H new ATOM 864 N ALA A 62 -11.965 -17.451 5.298 1.00 0.00 N ATOM 865 CA ALA A 62 -12.048 -16.069 5.753 1.00 0.00 C ATOM 866 C ALA A 62 -12.943 -15.241 4.837 1.00 0.00 C ATOM 867 O ALA A 62 -13.793 -14.482 5.302 1.00 0.00 O ATOM 868 CB ALA A 62 -10.658 -15.455 5.831 1.00 0.00 C ATOM 0 H ALA A 62 -11.095 -17.687 4.821 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.491 -16.067 6.749 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.735 -14.423 6.172 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.048 -16.024 6.532 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.194 -15.478 4.845 1.00 0.00 H new ATOM 874 N VAL A 63 -12.746 -15.392 3.531 1.00 0.00 N ATOM 875 CA VAL A 63 -13.536 -14.659 2.549 1.00 0.00 C ATOM 876 C VAL A 63 -14.246 -15.612 1.594 1.00 0.00 C ATOM 877 O VAL A 63 -13.622 -16.486 0.993 1.00 0.00 O ATOM 878 CB VAL A 63 -12.659 -13.691 1.733 1.00 0.00 C ATOM 879 CG1 VAL A 63 -13.496 -12.956 0.698 1.00 0.00 C ATOM 880 CG2 VAL A 63 -11.951 -12.709 2.654 1.00 0.00 C ATOM 0 H VAL A 63 -12.046 -16.015 3.129 1.00 0.00 H new ATOM 0 HA VAL A 63 -14.278 -14.085 3.104 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.901 -14.271 1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -12.859 -12.277 0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.952 -13.677 0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -14.278 -12.386 1.200 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -11.336 -12.033 2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.691 -12.133 3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.318 -13.257 3.352 1.00 0.00 H new ATOM 890 N ALA A 64 -15.557 -15.436 1.457 1.00 0.00 N ATOM 891 CA ALA A 64 -16.353 -16.278 0.573 1.00 0.00 C ATOM 892 C ALA A 64 -15.613 -16.557 -0.731 1.00 0.00 C ATOM 893 O ALA A 64 -14.897 -15.699 -1.245 1.00 0.00 O ATOM 894 CB ALA A 64 -17.697 -15.624 0.290 1.00 0.00 C ATOM 0 H ALA A 64 -16.090 -14.718 1.947 1.00 0.00 H new ATOM 0 HA ALA A 64 -16.524 -17.230 1.075 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -18.281 -16.264 -0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.237 -15.481 1.226 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.538 -14.657 -0.188 1.00 0.00 H new ATOM 900 N ALA A 65 -15.792 -17.763 -1.261 1.00 0.00 N ATOM 901 CA ALA A 65 -15.142 -18.154 -2.506 1.00 0.00 C ATOM 902 C ALA A 65 -16.057 -19.037 -3.348 1.00 0.00 C ATOM 903 O ALA A 65 -17.147 -19.411 -2.914 1.00 0.00 O ATOM 904 CB ALA A 65 -13.833 -18.872 -2.215 1.00 0.00 C ATOM 0 H ALA A 65 -16.381 -18.486 -0.848 1.00 0.00 H new ATOM 0 HA ALA A 65 -14.928 -17.250 -3.076 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.359 -19.158 -3.154 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -13.169 -18.208 -1.661 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -14.032 -19.765 -1.622 1.00 0.00 H new ATOM 910 N ASP A 66 -15.607 -19.366 -4.554 1.00 0.00 N ATOM 911 CA ASP A 66 -16.385 -20.206 -5.457 1.00 0.00 C ATOM 912 C ASP A 66 -15.472 -21.110 -6.280 1.00 0.00 C ATOM 913 O ASP A 66 -14.252 -21.085 -6.121 1.00 0.00 O ATOM 914 CB ASP A 66 -17.237 -19.340 -6.386 1.00 0.00 C ATOM 915 CG ASP A 66 -16.573 -18.018 -6.717 1.00 0.00 C ATOM 916 OD1 ASP A 66 -15.328 -17.989 -6.816 1.00 0.00 O ATOM 917 OD2 ASP A 66 -17.297 -17.013 -6.876 1.00 0.00 O ATOM 0 H ASP A 66 -14.708 -19.064 -4.929 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.041 -20.834 -4.855 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.432 -19.886 -7.309 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -18.203 -19.151 -5.917 1.00 0.00 H new ATOM 922 N GLN A 67 -16.073 -21.908 -7.157 1.00 0.00 N ATOM 923 CA GLN A 67 -15.313 -22.821 -8.003 1.00 0.00 C ATOM 924 C GLN A 67 -14.424 -22.051 -8.974 1.00 0.00 C ATOM 925 O GLN A 67 -13.500 -22.612 -9.565 1.00 0.00 O ATOM 926 CB GLN A 67 -16.261 -23.738 -8.779 1.00 0.00 C ATOM 927 CG GLN A 67 -16.905 -23.069 -9.982 1.00 0.00 C ATOM 928 CD GLN A 67 -17.821 -21.925 -9.593 1.00 0.00 C ATOM 929 OE1 GLN A 67 -18.691 -22.076 -8.735 1.00 0.00 O ATOM 930 NE2 GLN A 67 -17.630 -20.773 -10.224 1.00 0.00 N ATOM 0 H GLN A 67 -17.082 -21.941 -7.300 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.676 -23.428 -7.359 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -15.710 -24.617 -9.114 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -17.044 -24.090 -8.107 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -16.125 -22.695 -10.646 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -17.474 -23.810 -10.544 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -16.897 -20.693 -10.928 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -18.216 -19.968 -10.004 1.00 0.00 H new ATOM 939 N THR A 68 -14.707 -20.762 -9.134 1.00 0.00 N ATOM 940 CA THR A 68 -13.934 -19.916 -10.034 1.00 0.00 C ATOM 941 C THR A 68 -12.800 -19.217 -9.293 1.00 0.00 C ATOM 942 O THR A 68 -11.999 -18.502 -9.895 1.00 0.00 O ATOM 943 CB THR A 68 -14.823 -18.853 -10.708 1.00 0.00 C ATOM 944 OG1 THR A 68 -14.066 -18.132 -11.686 1.00 0.00 O ATOM 945 CG2 THR A 68 -15.384 -17.885 -9.678 1.00 0.00 C ATOM 0 H THR A 68 -15.466 -20.281 -8.652 1.00 0.00 H new ATOM 0 HA THR A 68 -13.516 -20.569 -10.800 1.00 0.00 H new ATOM 0 HB THR A 68 -15.655 -19.361 -11.195 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.153 -17.995 -11.357 1.00 0.00 H new ATOM 0 HG21 THR A 68 -16.008 -17.144 -10.177 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.983 -18.434 -8.951 1.00 0.00 H new ATOM 0 HG23 THR A 68 -14.563 -17.382 -9.166 1.00 0.00 H new ATOM 953 N SER A 69 -12.736 -19.430 -7.982 1.00 0.00 N ATOM 954 CA SER A 69 -11.700 -18.818 -7.158 1.00 0.00 C ATOM 955 C SER A 69 -10.342 -19.457 -7.429 1.00 0.00 C ATOM 956 O SER A 69 -10.151 -20.654 -7.212 1.00 0.00 O ATOM 957 CB SER A 69 -12.053 -18.952 -5.675 1.00 0.00 C ATOM 958 OG SER A 69 -12.988 -17.961 -5.282 1.00 0.00 O ATOM 0 H SER A 69 -13.389 -20.021 -7.468 1.00 0.00 H new ATOM 0 HA SER A 69 -11.642 -17.761 -7.416 1.00 0.00 H new ATOM 0 HB2 SER A 69 -12.466 -19.942 -5.484 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.149 -18.863 -5.073 1.00 0.00 H new ATOM 0 HG SER A 69 -13.716 -17.920 -5.937 1.00 0.00 H new ATOM 964 N THR A 70 -9.399 -18.649 -7.904 1.00 0.00 N ATOM 965 CA THR A 70 -8.058 -19.135 -8.206 1.00 0.00 C ATOM 966 C THR A 70 -7.194 -19.179 -6.951 1.00 0.00 C ATOM 967 O THR A 70 -6.095 -19.735 -6.960 1.00 0.00 O ATOM 968 CB THR A 70 -7.366 -18.252 -9.262 1.00 0.00 C ATOM 969 OG1 THR A 70 -8.256 -18.008 -10.356 1.00 0.00 O ATOM 970 CG2 THR A 70 -6.096 -18.915 -9.773 1.00 0.00 C ATOM 0 H THR A 70 -9.539 -17.656 -8.088 1.00 0.00 H new ATOM 0 HA THR A 70 -8.169 -20.144 -8.603 1.00 0.00 H new ATOM 0 HB THR A 70 -7.099 -17.305 -8.793 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.809 -17.445 -11.022 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.625 -18.273 -10.517 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.408 -19.073 -8.942 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.344 -19.875 -10.226 1.00 0.00 H new ATOM 978 N THR A 71 -7.697 -18.589 -5.871 1.00 0.00 N ATOM 979 CA THR A 71 -6.970 -18.561 -4.608 1.00 0.00 C ATOM 980 C THR A 71 -7.924 -18.413 -3.428 1.00 0.00 C ATOM 981 O THR A 71 -8.732 -17.484 -3.382 1.00 0.00 O ATOM 982 CB THR A 71 -5.947 -17.410 -4.574 1.00 0.00 C ATOM 983 OG1 THR A 71 -5.100 -17.473 -5.726 1.00 0.00 O ATOM 984 CG2 THR A 71 -5.100 -17.476 -3.312 1.00 0.00 C ATOM 0 H THR A 71 -8.605 -18.124 -5.846 1.00 0.00 H new ATOM 0 HA THR A 71 -6.440 -19.510 -4.527 1.00 0.00 H new ATOM 0 HB THR A 71 -6.494 -16.467 -4.577 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.454 -16.737 -5.697 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.385 -16.653 -3.310 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.745 -17.398 -2.437 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.563 -18.424 -3.284 1.00 0.00 H new ATOM 992 N LEU A 72 -7.826 -19.333 -2.475 1.00 0.00 N ATOM 993 CA LEU A 72 -8.680 -19.304 -1.293 1.00 0.00 C ATOM 994 C LEU A 72 -7.882 -18.911 -0.053 1.00 0.00 C ATOM 995 O LEU A 72 -6.798 -19.439 0.194 1.00 0.00 O ATOM 996 CB LEU A 72 -9.335 -20.670 -1.079 1.00 0.00 C ATOM 997 CG LEU A 72 -10.076 -21.255 -2.282 1.00 0.00 C ATOM 998 CD1 LEU A 72 -10.221 -22.762 -2.139 1.00 0.00 C ATOM 999 CD2 LEU A 72 -11.439 -20.598 -2.440 1.00 0.00 C ATOM 0 H LEU A 72 -7.164 -20.108 -2.498 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.456 -18.556 -1.455 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.563 -21.377 -0.774 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.038 -20.588 -0.250 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.491 -21.051 -3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.751 -23.160 -3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.233 -23.218 -2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -10.783 -22.989 -1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.952 -21.027 -3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.032 -20.770 -1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.311 -19.526 -2.591 1.00 0.00 H new ATOM 1011 N THR A 73 -8.427 -17.980 0.724 1.00 0.00 N ATOM 1012 CA THR A 73 -7.767 -17.517 1.938 1.00 0.00 C ATOM 1013 C THR A 73 -8.537 -17.949 3.181 1.00 0.00 C ATOM 1014 O THR A 73 -9.481 -17.280 3.603 1.00 0.00 O ATOM 1015 CB THR A 73 -7.620 -15.983 1.947 1.00 0.00 C ATOM 1016 OG1 THR A 73 -7.034 -15.541 0.717 1.00 0.00 O ATOM 1017 CG2 THR A 73 -6.759 -15.529 3.117 1.00 0.00 C ATOM 0 H THR A 73 -9.323 -17.532 0.534 1.00 0.00 H new ATOM 0 HA THR A 73 -6.776 -17.970 1.952 1.00 0.00 H new ATOM 0 HB THR A 73 -8.612 -15.545 2.055 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.945 -14.565 0.729 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.669 -14.443 3.103 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.222 -15.843 4.053 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.768 -15.976 3.035 1.00 0.00 H new ATOM 1025 N PHE A 74 -8.127 -19.070 3.765 1.00 0.00 N ATOM 1026 CA PHE A 74 -8.779 -19.592 4.961 1.00 0.00 C ATOM 1027 C PHE A 74 -7.827 -19.566 6.154 1.00 0.00 C ATOM 1028 O PHE A 74 -6.608 -19.534 5.988 1.00 0.00 O ATOM 1029 CB PHE A 74 -9.272 -21.019 4.717 1.00 0.00 C ATOM 1030 CG PHE A 74 -8.163 -22.003 4.472 1.00 0.00 C ATOM 1031 CD1 PHE A 74 -7.540 -22.071 3.237 1.00 0.00 C ATOM 1032 CD2 PHE A 74 -7.744 -22.859 5.478 1.00 0.00 C ATOM 1033 CE1 PHE A 74 -6.519 -22.975 3.008 1.00 0.00 C ATOM 1034 CE2 PHE A 74 -6.723 -23.764 5.256 1.00 0.00 C ATOM 1035 CZ PHE A 74 -6.111 -23.823 4.019 1.00 0.00 C ATOM 0 H PHE A 74 -7.346 -19.635 3.430 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.634 -18.954 5.187 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.854 -21.346 5.579 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.945 -21.021 3.859 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.855 -21.410 2.443 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.221 -22.819 6.446 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -6.041 -23.018 2.040 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.404 -24.424 6.049 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.315 -24.531 3.843 1.00 0.00 H new ATOM 1045 N TYR A 75 -8.394 -19.581 7.355 1.00 0.00 N ATOM 1046 CA TYR A 75 -7.598 -19.557 8.576 1.00 0.00 C ATOM 1047 C TYR A 75 -6.820 -20.859 8.745 1.00 0.00 C ATOM 1048 O TYR A 75 -6.996 -21.805 7.978 1.00 0.00 O ATOM 1049 CB TYR A 75 -8.497 -19.325 9.792 1.00 0.00 C ATOM 1050 CG TYR A 75 -8.699 -17.864 10.125 1.00 0.00 C ATOM 1051 CD1 TYR A 75 -7.779 -17.176 10.907 1.00 0.00 C ATOM 1052 CD2 TYR A 75 -9.810 -17.172 9.660 1.00 0.00 C ATOM 1053 CE1 TYR A 75 -7.961 -15.842 11.215 1.00 0.00 C ATOM 1054 CE2 TYR A 75 -9.999 -15.838 9.961 1.00 0.00 C ATOM 1055 CZ TYR A 75 -9.071 -15.177 10.739 1.00 0.00 C ATOM 1056 OH TYR A 75 -9.256 -13.847 11.043 1.00 0.00 O ATOM 0 H TYR A 75 -9.402 -19.610 7.509 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.885 -18.736 8.498 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -9.468 -19.785 9.609 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.063 -19.829 10.656 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -6.907 -17.693 11.280 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -10.539 -17.687 9.052 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.237 -15.322 11.826 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -10.868 -15.315 9.590 1.00 0.00 H new ATOM 0 HH TYR A 75 -10.086 -13.529 10.629 1.00 0.00 H new ATOM 1066 N LYS A 76 -5.959 -20.898 9.756 1.00 0.00 N ATOM 1067 CA LYS A 76 -5.154 -22.083 10.031 1.00 0.00 C ATOM 1068 C LYS A 76 -5.332 -22.539 11.475 1.00 0.00 C ATOM 1069 O LYS A 76 -5.328 -23.735 11.764 1.00 0.00 O ATOM 1070 CB LYS A 76 -3.677 -21.797 9.752 1.00 0.00 C ATOM 1071 CG LYS A 76 -2.978 -21.059 10.881 1.00 0.00 C ATOM 1072 CD LYS A 76 -2.345 -22.023 11.870 1.00 0.00 C ATOM 1073 CE LYS A 76 -0.911 -22.353 11.488 1.00 0.00 C ATOM 1074 NZ LYS A 76 -0.845 -23.418 10.449 1.00 0.00 N ATOM 0 H LYS A 76 -5.800 -20.122 10.399 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.493 -22.883 9.373 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.161 -22.740 9.571 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.596 -21.208 8.838 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.211 -20.404 10.468 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.695 -20.423 11.400 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.365 -21.586 12.869 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.932 -22.941 11.911 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.418 -21.454 11.119 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.364 -22.676 12.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.001 -24.005 10.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.696 -24.012 10.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.791 -22.981 9.507 1.00 0.00 H new ATOM 1088 N SER A 77 -5.488 -21.577 12.380 1.00 0.00 N ATOM 1089 CA SER A 77 -5.664 -21.880 13.795 1.00 0.00 C ATOM 1090 C SER A 77 -6.285 -20.696 14.531 1.00 0.00 C ATOM 1091 O SER A 77 -6.493 -19.631 13.951 1.00 0.00 O ATOM 1092 CB SER A 77 -4.322 -22.244 14.432 1.00 0.00 C ATOM 1093 OG SER A 77 -3.622 -21.083 14.845 1.00 0.00 O ATOM 0 H SER A 77 -5.496 -20.582 12.158 1.00 0.00 H new ATOM 0 HA SER A 77 -6.339 -22.732 13.877 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.488 -22.897 15.289 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.717 -22.803 13.718 1.00 0.00 H new ATOM 0 HG SER A 77 -2.768 -21.343 15.250 1.00 0.00 H new ATOM 1099 N GLY A 78 -6.577 -20.891 15.813 1.00 0.00 N ATOM 1100 CA GLY A 78 -7.171 -19.832 16.608 1.00 0.00 C ATOM 1101 C GLY A 78 -8.589 -20.154 17.036 1.00 0.00 C ATOM 1102 O GLY A 78 -9.249 -21.005 16.438 1.00 0.00 O ATOM 0 H GLY A 78 -6.413 -21.763 16.315 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.558 -19.659 17.493 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.170 -18.906 16.033 1.00 0.00 H new ATOM 1106 N THR A 79 -9.061 -19.473 18.075 1.00 0.00 N ATOM 1107 CA THR A 79 -10.409 -19.692 18.585 1.00 0.00 C ATOM 1108 C THR A 79 -11.433 -18.884 17.796 1.00 0.00 C ATOM 1109 O THR A 79 -11.392 -17.654 17.784 1.00 0.00 O ATOM 1110 CB THR A 79 -10.514 -19.318 20.075 1.00 0.00 C ATOM 1111 OG1 THR A 79 -9.426 -19.897 20.803 1.00 0.00 O ATOM 1112 CG2 THR A 79 -11.835 -19.796 20.661 1.00 0.00 C ATOM 0 H THR A 79 -8.529 -18.764 18.580 1.00 0.00 H new ATOM 0 HA THR A 79 -10.622 -20.755 18.470 1.00 0.00 H new ATOM 0 HB THR A 79 -10.469 -18.232 20.159 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.499 -19.653 21.749 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.887 -19.521 21.714 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.661 -19.331 20.123 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.905 -20.880 20.565 1.00 0.00 H new ATOM 1120 N PHE A 80 -12.353 -19.583 17.138 1.00 0.00 N ATOM 1121 CA PHE A 80 -13.388 -18.930 16.347 1.00 0.00 C ATOM 1122 C PHE A 80 -14.759 -19.104 16.994 1.00 0.00 C ATOM 1123 O PHE A 80 -14.956 -19.990 17.826 1.00 0.00 O ATOM 1124 CB PHE A 80 -13.407 -19.496 14.925 1.00 0.00 C ATOM 1125 CG PHE A 80 -12.108 -19.318 14.192 1.00 0.00 C ATOM 1126 CD1 PHE A 80 -11.035 -20.158 14.441 1.00 0.00 C ATOM 1127 CD2 PHE A 80 -11.960 -18.308 13.254 1.00 0.00 C ATOM 1128 CE1 PHE A 80 -9.839 -19.997 13.767 1.00 0.00 C ATOM 1129 CE2 PHE A 80 -10.767 -18.143 12.577 1.00 0.00 C ATOM 1130 CZ PHE A 80 -9.704 -18.987 12.835 1.00 0.00 C ATOM 0 H PHE A 80 -12.402 -20.602 17.138 1.00 0.00 H new ATOM 0 HA PHE A 80 -13.159 -17.865 16.304 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.648 -20.558 14.968 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.203 -19.011 14.360 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -11.134 -20.948 15.171 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -12.786 -17.643 13.050 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -9.011 -20.660 13.969 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -10.665 -17.354 11.846 1.00 0.00 H new ATOM 0 HZ PHE A 80 -8.770 -18.857 12.309 1.00 0.00 H new ATOM 1140 N ARG A 81 -15.703 -18.253 16.605 1.00 0.00 N ATOM 1141 CA ARG A 81 -17.055 -18.311 17.148 1.00 0.00 C ATOM 1142 C ARG A 81 -17.909 -19.310 16.373 1.00 0.00 C ATOM 1143 O ARG A 81 -18.073 -19.192 15.159 1.00 0.00 O ATOM 1144 CB ARG A 81 -17.704 -16.927 17.105 1.00 0.00 C ATOM 1145 CG ARG A 81 -17.254 -16.008 18.229 1.00 0.00 C ATOM 1146 CD ARG A 81 -18.286 -14.928 18.512 1.00 0.00 C ATOM 1147 NE ARG A 81 -18.495 -14.054 17.360 1.00 0.00 N ATOM 1148 CZ ARG A 81 -19.163 -12.908 17.419 1.00 0.00 C ATOM 1149 NH1 ARG A 81 -19.685 -12.498 18.567 1.00 0.00 N ATOM 1150 NH2 ARG A 81 -19.310 -12.168 16.327 1.00 0.00 N ATOM 0 H ARG A 81 -15.556 -17.515 15.916 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.990 -18.642 18.185 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -17.474 -16.457 16.149 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -18.787 -17.041 17.152 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -17.081 -16.593 19.132 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -16.304 -15.544 17.963 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -19.231 -15.394 18.789 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.962 -14.332 19.365 1.00 0.00 H new ATOM 0 HE ARG A 81 -18.106 -14.340 16.461 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -19.574 -13.064 19.409 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -20.197 -11.617 18.608 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -18.910 -12.480 15.442 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -19.823 -11.288 16.373 1.00 0.00 H new ATOM 1164 N TYR A 82 -18.450 -20.294 17.083 1.00 0.00 N ATOM 1165 CA TYR A 82 -19.285 -21.315 16.462 1.00 0.00 C ATOM 1166 C TYR A 82 -20.680 -20.773 16.168 1.00 0.00 C ATOM 1167 O TYR A 82 -21.297 -21.129 15.164 1.00 0.00 O ATOM 1168 CB TYR A 82 -19.383 -22.544 17.368 1.00 0.00 C ATOM 1169 CG TYR A 82 -20.640 -23.356 17.153 1.00 0.00 C ATOM 1170 CD1 TYR A 82 -21.887 -22.848 17.496 1.00 0.00 C ATOM 1171 CD2 TYR A 82 -20.581 -24.631 16.604 1.00 0.00 C ATOM 1172 CE1 TYR A 82 -23.038 -23.587 17.302 1.00 0.00 C ATOM 1173 CE2 TYR A 82 -21.727 -25.377 16.405 1.00 0.00 C ATOM 1174 CZ TYR A 82 -22.953 -24.850 16.756 1.00 0.00 C ATOM 1175 OH TYR A 82 -24.097 -25.589 16.559 1.00 0.00 O ATOM 0 H TYR A 82 -18.325 -20.406 18.089 1.00 0.00 H new ATOM 0 HA TYR A 82 -18.821 -21.603 15.519 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -18.515 -23.181 17.197 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -19.342 -22.222 18.409 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -21.958 -21.858 17.922 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -19.623 -25.046 16.328 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -23.999 -23.178 17.577 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -21.663 -26.367 15.977 1.00 0.00 H new ATOM 0 HH TYR A 82 -24.851 -24.986 16.390 1.00 0.00 H new ATOM 1185 N GLU A 83 -21.171 -19.910 17.051 1.00 0.00 N ATOM 1186 CA GLU A 83 -22.494 -19.318 16.887 1.00 0.00 C ATOM 1187 C GLU A 83 -22.577 -18.524 15.587 1.00 0.00 C ATOM 1188 O GLU A 83 -23.662 -18.309 15.046 1.00 0.00 O ATOM 1189 CB GLU A 83 -22.822 -18.410 18.074 1.00 0.00 C ATOM 1190 CG GLU A 83 -21.877 -17.230 18.217 1.00 0.00 C ATOM 1191 CD GLU A 83 -22.121 -16.437 19.486 1.00 0.00 C ATOM 1192 OE1 GLU A 83 -23.254 -15.944 19.668 1.00 0.00 O ATOM 1193 OE2 GLU A 83 -21.180 -16.310 20.297 1.00 0.00 O ATOM 0 H GLU A 83 -20.673 -19.605 17.887 1.00 0.00 H new ATOM 0 HA GLU A 83 -23.223 -20.127 16.846 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -23.841 -18.038 17.965 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -22.794 -19.000 18.990 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -20.848 -17.590 18.211 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -21.990 -16.573 17.355 1.00 0.00 H new ATOM 1200 N ASP A 84 -21.423 -18.090 15.091 1.00 0.00 N ATOM 1201 CA ASP A 84 -21.364 -17.320 13.854 1.00 0.00 C ATOM 1202 C ASP A 84 -21.035 -18.221 12.668 1.00 0.00 C ATOM 1203 O ASP A 84 -21.666 -18.134 11.615 1.00 0.00 O ATOM 1204 CB ASP A 84 -20.320 -16.207 13.970 1.00 0.00 C ATOM 1205 CG ASP A 84 -20.231 -15.363 12.714 1.00 0.00 C ATOM 1206 OD1 ASP A 84 -19.968 -15.933 11.634 1.00 0.00 O ATOM 1207 OD2 ASP A 84 -20.426 -14.134 12.811 1.00 0.00 O ATOM 0 H ASP A 84 -20.516 -18.258 15.527 1.00 0.00 H new ATOM 0 HA ASP A 84 -22.344 -16.873 13.687 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -20.568 -15.567 14.817 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -19.345 -16.648 14.178 1.00 0.00 H new ATOM 1212 N VAL A 85 -20.041 -19.086 12.846 1.00 0.00 N ATOM 1213 CA VAL A 85 -19.628 -20.003 11.791 1.00 0.00 C ATOM 1214 C VAL A 85 -20.825 -20.746 11.209 1.00 0.00 C ATOM 1215 O VAL A 85 -21.551 -21.435 11.926 1.00 0.00 O ATOM 1216 CB VAL A 85 -18.603 -21.029 12.309 1.00 0.00 C ATOM 1217 CG1 VAL A 85 -18.402 -22.143 11.293 1.00 0.00 C ATOM 1218 CG2 VAL A 85 -17.283 -20.346 12.632 1.00 0.00 C ATOM 0 H VAL A 85 -19.507 -19.170 13.711 1.00 0.00 H new ATOM 0 HA VAL A 85 -19.164 -19.400 11.011 1.00 0.00 H new ATOM 0 HB VAL A 85 -18.990 -21.473 13.226 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -17.674 -22.858 11.677 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -19.351 -22.650 11.116 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -18.037 -21.720 10.357 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.570 -21.086 12.997 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -16.888 -19.874 11.732 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -17.444 -19.588 13.399 1.00 0.00 H new ATOM 1228 N LEU A 86 -21.026 -20.603 9.903 1.00 0.00 N ATOM 1229 CA LEU A 86 -22.136 -21.261 9.223 1.00 0.00 C ATOM 1230 C LEU A 86 -21.782 -22.703 8.874 1.00 0.00 C ATOM 1231 O LEU A 86 -21.184 -22.971 7.832 1.00 0.00 O ATOM 1232 CB LEU A 86 -22.508 -20.494 7.953 1.00 0.00 C ATOM 1233 CG LEU A 86 -23.549 -19.386 8.119 1.00 0.00 C ATOM 1234 CD1 LEU A 86 -23.606 -18.516 6.873 1.00 0.00 C ATOM 1235 CD2 LEU A 86 -24.917 -19.980 8.420 1.00 0.00 C ATOM 0 H LEU A 86 -20.435 -20.037 9.294 1.00 0.00 H new ATOM 0 HA LEU A 86 -22.991 -21.269 9.899 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -21.601 -20.054 7.540 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -22.880 -21.207 7.217 1.00 0.00 H new ATOM 0 HG LEU A 86 -23.254 -18.760 8.961 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -24.352 -17.733 7.010 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -22.630 -18.061 6.702 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -23.877 -19.129 6.013 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -25.645 -19.177 8.535 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -25.220 -20.630 7.599 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -24.867 -20.559 9.342 1.00 0.00 H new ATOM 1247 N TRP A 87 -22.158 -23.627 9.751 1.00 0.00 N ATOM 1248 CA TRP A 87 -21.883 -25.043 9.534 1.00 0.00 C ATOM 1249 C TRP A 87 -22.882 -25.648 8.555 1.00 0.00 C ATOM 1250 O TRP A 87 -24.028 -25.211 8.451 1.00 0.00 O ATOM 1251 CB TRP A 87 -21.927 -25.801 10.861 1.00 0.00 C ATOM 1252 CG TRP A 87 -21.155 -25.129 11.956 1.00 0.00 C ATOM 1253 CD1 TRP A 87 -21.571 -24.081 12.728 1.00 0.00 C ATOM 1254 CD2 TRP A 87 -19.834 -25.457 12.399 1.00 0.00 C ATOM 1255 NE1 TRP A 87 -20.587 -23.738 13.624 1.00 0.00 N ATOM 1256 CE2 TRP A 87 -19.512 -24.567 13.443 1.00 0.00 C ATOM 1257 CE3 TRP A 87 -18.892 -26.416 12.017 1.00 0.00 C ATOM 1258 CZ2 TRP A 87 -18.288 -24.610 14.106 1.00 0.00 C ATOM 1259 CZ3 TRP A 87 -17.678 -26.457 12.676 1.00 0.00 C ATOM 1260 CH2 TRP A 87 -17.385 -25.559 13.711 1.00 0.00 C ATOM 0 H TRP A 87 -22.654 -23.421 10.618 1.00 0.00 H new ATOM 0 HA TRP A 87 -20.885 -25.132 9.106 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -22.965 -25.911 11.174 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -21.531 -26.805 10.711 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -22.532 -23.594 12.646 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -20.648 -22.988 14.312 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -19.109 -27.113 11.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -18.060 -23.919 14.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -16.943 -27.194 12.388 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -16.427 -25.617 14.207 1.00 0.00 H new ATOM 1271 N PRO A 88 -22.441 -26.679 7.818 1.00 0.00 N ATOM 1272 CA PRO A 88 -23.282 -27.366 6.834 1.00 0.00 C ATOM 1273 C PRO A 88 -24.391 -28.183 7.489 1.00 0.00 C ATOM 1274 O PRO A 88 -24.166 -28.858 8.493 1.00 0.00 O ATOM 1275 CB PRO A 88 -22.298 -28.287 6.107 1.00 0.00 C ATOM 1276 CG PRO A 88 -21.202 -28.520 7.089 1.00 0.00 C ATOM 1277 CD PRO A 88 -21.086 -27.252 7.889 1.00 0.00 C ATOM 0 HA PRO A 88 -23.796 -26.664 6.177 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -22.774 -29.223 5.815 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -21.921 -27.823 5.195 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -21.430 -29.369 7.734 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.265 -28.748 6.581 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.788 -27.452 8.918 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.342 -26.577 7.467 1.00 0.00 H new ATOM 1285 N GLU A 89 -25.588 -28.116 6.914 1.00 0.00 N ATOM 1286 CA GLU A 89 -26.731 -28.850 7.444 1.00 0.00 C ATOM 1287 C GLU A 89 -26.429 -30.344 7.524 1.00 0.00 C ATOM 1288 O GLU A 89 -26.893 -31.034 8.431 1.00 0.00 O ATOM 1289 CB GLU A 89 -27.965 -28.614 6.571 1.00 0.00 C ATOM 1290 CG GLU A 89 -27.745 -28.942 5.104 1.00 0.00 C ATOM 1291 CD GLU A 89 -29.024 -29.354 4.400 1.00 0.00 C ATOM 1292 OE1 GLU A 89 -29.892 -29.967 5.056 1.00 0.00 O ATOM 1293 OE2 GLU A 89 -29.156 -29.062 3.193 1.00 0.00 O ATOM 0 H GLU A 89 -25.791 -27.562 6.082 1.00 0.00 H new ATOM 0 HA GLU A 89 -26.931 -28.483 8.451 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -28.789 -29.219 6.950 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -28.268 -27.571 6.660 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -27.321 -28.073 4.601 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -27.014 -29.746 5.021 1.00 0.00 H new ATOM 1300 N ALA A 90 -25.649 -30.836 6.567 1.00 0.00 N ATOM 1301 CA ALA A 90 -25.284 -32.246 6.529 1.00 0.00 C ATOM 1302 C ALA A 90 -24.984 -32.774 7.929 1.00 0.00 C ATOM 1303 O ALA A 90 -25.181 -33.954 8.213 1.00 0.00 O ATOM 1304 CB ALA A 90 -24.085 -32.457 5.616 1.00 0.00 C ATOM 0 H ALA A 90 -25.258 -30.278 5.808 1.00 0.00 H new ATOM 0 HA ALA A 90 -26.132 -32.804 6.132 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -23.824 -33.515 5.597 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -24.333 -32.127 4.607 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -23.238 -31.881 5.988 1.00 0.00 H new ATOM 1310 N ALA A 91 -24.505 -31.890 8.799 1.00 0.00 N ATOM 1311 CA ALA A 91 -24.179 -32.267 10.168 1.00 0.00 C ATOM 1312 C ALA A 91 -25.440 -32.575 10.968 1.00 0.00 C ATOM 1313 O ALA A 91 -26.138 -31.667 11.420 1.00 0.00 O ATOM 1314 CB ALA A 91 -23.381 -31.161 10.844 1.00 0.00 C ATOM 0 H ALA A 91 -24.334 -30.909 8.579 1.00 0.00 H new ATOM 0 HA ALA A 91 -23.571 -33.171 10.134 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -23.144 -31.456 11.866 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -22.457 -30.990 10.292 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -23.970 -30.244 10.858 1.00 0.00 H new ATOM 1320 N SER A 92 -25.728 -33.862 11.138 1.00 0.00 N ATOM 1321 CA SER A 92 -26.909 -34.290 11.879 1.00 0.00 C ATOM 1322 C SER A 92 -26.696 -34.125 13.381 1.00 0.00 C ATOM 1323 O SER A 92 -27.618 -33.766 14.114 1.00 0.00 O ATOM 1324 CB SER A 92 -27.239 -35.748 11.556 1.00 0.00 C ATOM 1325 OG SER A 92 -28.504 -36.113 12.080 1.00 0.00 O ATOM 0 H SER A 92 -25.160 -34.626 10.773 1.00 0.00 H new ATOM 0 HA SER A 92 -27.746 -33.661 11.577 1.00 0.00 H new ATOM 0 HB2 SER A 92 -27.233 -35.895 10.476 1.00 0.00 H new ATOM 0 HB3 SER A 92 -26.469 -36.399 11.970 1.00 0.00 H new ATOM 0 HG SER A 92 -28.692 -37.049 11.859 1.00 0.00 H new ATOM 1331 N ASP A 93 -25.475 -34.389 13.832 1.00 0.00 N ATOM 1332 CA ASP A 93 -25.139 -34.269 15.246 1.00 0.00 C ATOM 1333 C ASP A 93 -24.340 -32.996 15.509 1.00 0.00 C ATOM 1334 O ASP A 93 -23.361 -32.714 14.820 1.00 0.00 O ATOM 1335 CB ASP A 93 -24.343 -35.490 15.708 1.00 0.00 C ATOM 1336 CG ASP A 93 -24.369 -35.662 17.214 1.00 0.00 C ATOM 1337 OD1 ASP A 93 -24.418 -34.638 17.927 1.00 0.00 O ATOM 1338 OD2 ASP A 93 -24.338 -36.820 17.680 1.00 0.00 O ATOM 0 H ASP A 93 -24.701 -34.688 13.239 1.00 0.00 H new ATOM 0 HA ASP A 93 -26.069 -34.216 15.812 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -24.749 -36.385 15.236 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -23.310 -35.394 15.374 1.00 0.00 H new ATOM 1343 N GLU A 94 -24.767 -32.232 16.509 1.00 0.00 N ATOM 1344 CA GLU A 94 -24.091 -30.988 16.861 1.00 0.00 C ATOM 1345 C GLU A 94 -22.649 -31.253 17.284 1.00 0.00 C ATOM 1346 O GLU A 94 -21.764 -30.425 17.068 1.00 0.00 O ATOM 1347 CB GLU A 94 -24.842 -30.275 17.988 1.00 0.00 C ATOM 1348 CG GLU A 94 -24.810 -31.024 19.309 1.00 0.00 C ATOM 1349 CD GLU A 94 -25.997 -30.696 20.194 1.00 0.00 C ATOM 1350 OE1 GLU A 94 -26.171 -29.509 20.539 1.00 0.00 O ATOM 1351 OE2 GLU A 94 -26.753 -31.628 20.541 1.00 0.00 O ATOM 0 H GLU A 94 -25.577 -32.452 17.089 1.00 0.00 H new ATOM 0 HA GLU A 94 -24.081 -30.348 15.979 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -24.410 -29.284 18.131 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -25.880 -30.130 17.687 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -24.792 -32.096 19.114 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -23.889 -30.781 19.838 1.00 0.00 H new ATOM 1358 N THR A 95 -22.420 -32.414 17.890 1.00 0.00 N ATOM 1359 CA THR A 95 -21.088 -32.789 18.346 1.00 0.00 C ATOM 1360 C THR A 95 -20.182 -33.135 17.170 1.00 0.00 C ATOM 1361 O THR A 95 -18.957 -33.050 17.269 1.00 0.00 O ATOM 1362 CB THR A 95 -21.140 -33.989 19.310 1.00 0.00 C ATOM 1363 OG1 THR A 95 -21.953 -33.671 20.444 1.00 0.00 O ATOM 1364 CG2 THR A 95 -19.743 -34.373 19.772 1.00 0.00 C ATOM 0 H THR A 95 -23.141 -33.111 18.076 1.00 0.00 H new ATOM 0 HA THR A 95 -20.681 -31.927 18.874 1.00 0.00 H new ATOM 0 HB THR A 95 -21.574 -34.836 18.778 1.00 0.00 H new ATOM 0 HG1 THR A 95 -21.982 -34.440 21.051 1.00 0.00 H new ATOM 0 HG21 THR A 95 -19.805 -35.223 20.452 1.00 0.00 H new ATOM 0 HG22 THR A 95 -19.136 -34.643 18.908 1.00 0.00 H new ATOM 0 HG23 THR A 95 -19.285 -33.529 20.288 1.00 0.00 H new ATOM 1372 N LYS A 96 -20.790 -33.526 16.055 1.00 0.00 N ATOM 1373 CA LYS A 96 -20.039 -33.884 14.858 1.00 0.00 C ATOM 1374 C LYS A 96 -19.223 -32.698 14.353 1.00 0.00 C ATOM 1375 O LYS A 96 -18.007 -32.796 14.182 1.00 0.00 O ATOM 1376 CB LYS A 96 -20.990 -34.367 13.760 1.00 0.00 C ATOM 1377 CG LYS A 96 -20.308 -35.198 12.687 1.00 0.00 C ATOM 1378 CD LYS A 96 -20.113 -36.637 13.136 1.00 0.00 C ATOM 1379 CE LYS A 96 -21.410 -37.427 13.053 1.00 0.00 C ATOM 1380 NZ LYS A 96 -21.736 -37.812 11.652 1.00 0.00 N ATOM 0 H LYS A 96 -21.802 -33.603 15.956 1.00 0.00 H new ATOM 0 HA LYS A 96 -19.353 -34.691 15.117 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -21.786 -34.958 14.214 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -21.462 -33.502 13.293 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -20.905 -35.178 11.776 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -19.341 -34.757 12.444 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -19.355 -37.114 12.515 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -19.741 -36.652 14.160 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -21.329 -38.324 13.667 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -22.225 -36.832 13.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -22.560 -38.447 11.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -21.955 -36.959 11.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -20.921 -38.300 11.227 1.00 0.00 H new ATOM 1394 N LYS A 97 -19.898 -31.578 14.117 1.00 0.00 N ATOM 1395 CA LYS A 97 -19.235 -30.372 13.635 1.00 0.00 C ATOM 1396 C LYS A 97 -18.341 -29.773 14.716 1.00 0.00 C ATOM 1397 O LYS A 97 -17.211 -29.368 14.445 1.00 0.00 O ATOM 1398 CB LYS A 97 -20.273 -29.340 13.187 1.00 0.00 C ATOM 1399 CG LYS A 97 -21.309 -29.018 14.250 1.00 0.00 C ATOM 1400 CD LYS A 97 -22.346 -28.033 13.737 1.00 0.00 C ATOM 1401 CE LYS A 97 -23.694 -28.243 14.410 1.00 0.00 C ATOM 1402 NZ LYS A 97 -24.448 -29.373 13.801 1.00 0.00 N ATOM 0 H LYS A 97 -20.904 -31.480 14.252 1.00 0.00 H new ATOM 0 HA LYS A 97 -18.612 -30.645 12.784 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -19.760 -28.422 12.902 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -20.781 -29.711 12.297 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -21.803 -29.936 14.567 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -20.814 -28.603 15.128 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -22.003 -27.014 13.918 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -22.455 -28.146 12.658 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -23.543 -28.437 15.472 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -24.284 -27.330 14.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -25.277 -29.593 14.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -24.761 -29.107 12.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -23.833 -30.210 13.743 1.00 0.00 H new ATOM 1416 N ARG A 98 -18.854 -29.722 15.941 1.00 0.00 N ATOM 1417 CA ARG A 98 -18.102 -29.173 17.062 1.00 0.00 C ATOM 1418 C ARG A 98 -16.738 -29.848 17.184 1.00 0.00 C ATOM 1419 O ARG A 98 -15.814 -29.300 17.786 1.00 0.00 O ATOM 1420 CB ARG A 98 -18.886 -29.345 18.364 1.00 0.00 C ATOM 1421 CG ARG A 98 -20.083 -28.416 18.481 1.00 0.00 C ATOM 1422 CD ARG A 98 -20.886 -28.697 19.742 1.00 0.00 C ATOM 1423 NE ARG A 98 -22.297 -28.358 19.579 1.00 0.00 N ATOM 1424 CZ ARG A 98 -22.785 -27.137 19.765 1.00 0.00 C ATOM 1425 NH1 ARG A 98 -21.980 -26.144 20.117 1.00 0.00 N ATOM 1426 NH2 ARG A 98 -24.081 -26.907 19.598 1.00 0.00 N ATOM 0 H ARG A 98 -19.788 -30.054 16.182 1.00 0.00 H new ATOM 0 HA ARG A 98 -17.948 -28.110 16.877 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -19.229 -30.377 18.438 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -18.217 -29.170 19.207 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -19.742 -27.381 18.489 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -20.723 -28.534 17.607 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -20.794 -29.751 20.003 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -20.469 -28.126 20.572 1.00 0.00 H new ATOM 0 HE ARG A 98 -22.943 -29.099 19.308 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -20.983 -26.317 20.246 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -22.358 -25.207 20.259 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -24.703 -27.668 19.327 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -24.455 -25.969 19.741 1.00 0.00 H new ATOM 1440 N THR A 99 -16.620 -31.040 16.609 1.00 0.00 N ATOM 1441 CA THR A 99 -15.372 -31.791 16.654 1.00 0.00 C ATOM 1442 C THR A 99 -14.849 -32.073 15.251 1.00 0.00 C ATOM 1443 O THR A 99 -14.135 -33.051 15.029 1.00 0.00 O ATOM 1444 CB THR A 99 -15.545 -33.125 17.404 1.00 0.00 C ATOM 1445 OG1 THR A 99 -16.198 -32.901 18.658 1.00 0.00 O ATOM 1446 CG2 THR A 99 -14.199 -33.793 17.638 1.00 0.00 C ATOM 0 H THR A 99 -17.375 -31.507 16.106 1.00 0.00 H new ATOM 0 HA THR A 99 -14.651 -31.173 17.190 1.00 0.00 H new ATOM 0 HB THR A 99 -16.157 -33.785 16.790 1.00 0.00 H new ATOM 0 HG1 THR A 99 -17.169 -32.909 18.527 1.00 0.00 H new ATOM 0 HG21 THR A 99 -14.347 -34.733 18.169 1.00 0.00 H new ATOM 0 HG22 THR A 99 -13.719 -33.989 16.679 1.00 0.00 H new ATOM 0 HG23 THR A 99 -13.565 -33.136 18.233 1.00 0.00 H new ATOM 1454 N ALA A 100 -15.208 -31.211 14.305 1.00 0.00 N ATOM 1455 CA ALA A 100 -14.772 -31.367 12.923 1.00 0.00 C ATOM 1456 C ALA A 100 -13.312 -30.957 12.758 1.00 0.00 C ATOM 1457 O ALA A 100 -12.659 -31.329 11.783 1.00 0.00 O ATOM 1458 CB ALA A 100 -15.659 -30.551 11.995 1.00 0.00 C ATOM 0 H ALA A 100 -15.800 -30.397 14.471 1.00 0.00 H new ATOM 0 HA ALA A 100 -14.858 -32.421 12.657 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -15.322 -30.677 10.966 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -16.690 -30.893 12.084 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -15.601 -29.498 12.270 1.00 0.00 H new ATOM 1464 N PHE A 101 -12.807 -30.187 13.717 1.00 0.00 N ATOM 1465 CA PHE A 101 -11.424 -29.725 13.676 1.00 0.00 C ATOM 1466 C PHE A 101 -10.539 -30.578 14.580 1.00 0.00 C ATOM 1467 O PHE A 101 -9.546 -30.098 15.126 1.00 0.00 O ATOM 1468 CB PHE A 101 -11.343 -28.257 14.101 1.00 0.00 C ATOM 1469 CG PHE A 101 -11.865 -27.303 13.065 1.00 0.00 C ATOM 1470 CD1 PHE A 101 -11.107 -26.987 11.950 1.00 0.00 C ATOM 1471 CD2 PHE A 101 -13.115 -26.722 13.208 1.00 0.00 C ATOM 1472 CE1 PHE A 101 -11.585 -26.110 10.995 1.00 0.00 C ATOM 1473 CE2 PHE A 101 -13.598 -25.844 12.255 1.00 0.00 C ATOM 1474 CZ PHE A 101 -12.832 -25.537 11.148 1.00 0.00 C ATOM 0 H PHE A 101 -13.334 -29.870 14.531 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.065 -29.820 12.651 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -11.907 -28.123 15.024 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.305 -28.008 14.323 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.131 -27.431 11.825 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -13.718 -26.957 14.072 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -10.984 -25.873 10.130 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -14.574 -25.398 12.377 1.00 0.00 H new ATOM 0 HZ PHE A 101 -13.207 -24.850 10.404 1.00 0.00 H new ATOM 1484 N ALA A 102 -10.907 -31.845 14.733 1.00 0.00 N ATOM 1485 CA ALA A 102 -10.147 -32.766 15.569 1.00 0.00 C ATOM 1486 C ALA A 102 -8.842 -33.172 14.893 1.00 0.00 C ATOM 1487 O ALA A 102 -8.849 -33.848 13.865 1.00 0.00 O ATOM 1488 CB ALA A 102 -10.981 -33.997 15.893 1.00 0.00 C ATOM 0 H ALA A 102 -11.727 -32.258 14.289 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.900 -32.253 16.499 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.400 -34.676 16.518 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -11.883 -33.696 16.426 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.258 -34.503 14.968 1.00 0.00 H new ATOM 1494 N GLY A 103 -7.723 -32.754 15.476 1.00 0.00 N ATOM 1495 CA GLY A 103 -6.426 -33.083 14.915 1.00 0.00 C ATOM 1496 C GLY A 103 -5.638 -31.852 14.514 1.00 0.00 C ATOM 1497 O GLY A 103 -4.407 -31.863 14.521 1.00 0.00 O ATOM 0 H GLY A 103 -7.692 -32.193 16.327 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -5.853 -33.656 15.644 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.563 -33.723 14.043 1.00 0.00 H new ATOM 1501 N THR A 104 -6.349 -30.786 14.160 1.00 0.00 N ATOM 1502 CA THR A 104 -5.710 -29.542 13.751 1.00 0.00 C ATOM 1503 C THR A 104 -5.469 -28.628 14.948 1.00 0.00 C ATOM 1504 O THR A 104 -5.943 -28.897 16.051 1.00 0.00 O ATOM 1505 CB THR A 104 -6.558 -28.790 12.709 1.00 0.00 C ATOM 1506 OG1 THR A 104 -7.877 -28.566 13.220 1.00 0.00 O ATOM 1507 CG2 THR A 104 -6.639 -29.575 11.409 1.00 0.00 C ATOM 0 H THR A 104 -7.369 -30.760 14.148 1.00 0.00 H new ATOM 0 HA THR A 104 -4.753 -29.811 13.304 1.00 0.00 H new ATOM 0 HB THR A 104 -6.080 -27.832 12.507 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.409 -28.086 12.552 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.243 -29.024 10.688 1.00 0.00 H new ATOM 0 HG22 THR A 104 -5.636 -29.718 11.007 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.096 -30.546 11.598 1.00 0.00 H new ATOM 1515 N ALA A 105 -4.729 -27.547 14.722 1.00 0.00 N ATOM 1516 CA ALA A 105 -4.428 -26.593 15.781 1.00 0.00 C ATOM 1517 C ALA A 105 -5.590 -25.629 15.999 1.00 0.00 C ATOM 1518 O ALA A 105 -5.477 -24.669 16.761 1.00 0.00 O ATOM 1519 CB ALA A 105 -3.157 -25.823 15.452 1.00 0.00 C ATOM 0 H ALA A 105 -4.327 -27.311 13.815 1.00 0.00 H new ATOM 0 HA ALA A 105 -4.274 -27.151 16.705 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -2.944 -25.114 16.252 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -2.325 -26.520 15.354 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -3.291 -25.283 14.515 1.00 0.00 H new ATOM 1525 N ILE A 106 -6.704 -25.892 15.325 1.00 0.00 N ATOM 1526 CA ILE A 106 -7.887 -25.049 15.447 1.00 0.00 C ATOM 1527 C ILE A 106 -8.787 -25.524 16.582 1.00 0.00 C ATOM 1528 O ILE A 106 -9.016 -26.723 16.746 1.00 0.00 O ATOM 1529 CB ILE A 106 -8.698 -25.025 14.138 1.00 0.00 C ATOM 1530 CG1 ILE A 106 -7.900 -24.337 13.029 1.00 0.00 C ATOM 1531 CG2 ILE A 106 -10.030 -24.322 14.353 1.00 0.00 C ATOM 1532 CD1 ILE A 106 -8.267 -24.807 11.639 1.00 0.00 C ATOM 0 H ILE A 106 -6.812 -26.682 14.689 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.535 -24.041 15.665 1.00 0.00 H new ATOM 0 HB ILE A 106 -8.896 -26.052 13.833 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -8.058 -23.260 13.093 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.837 -24.513 13.194 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -10.592 -24.313 13.419 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.602 -24.851 15.115 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -9.852 -23.297 14.679 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -7.662 -24.277 10.904 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -8.082 -25.878 11.556 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -9.322 -24.606 11.454 1.00 0.00 H new ATOM 1544 N SER A 107 -9.298 -24.577 17.362 1.00 0.00 N ATOM 1545 CA SER A 107 -10.172 -24.898 18.483 1.00 0.00 C ATOM 1546 C SER A 107 -11.382 -23.970 18.512 1.00 0.00 C ATOM 1547 O SER A 107 -11.277 -22.808 18.905 1.00 0.00 O ATOM 1548 CB SER A 107 -9.404 -24.795 19.802 1.00 0.00 C ATOM 1549 OG SER A 107 -8.207 -25.551 19.756 1.00 0.00 O ATOM 0 H SER A 107 -9.121 -23.580 17.238 1.00 0.00 H new ATOM 0 HA SER A 107 -10.524 -25.922 18.355 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.170 -23.751 20.010 1.00 0.00 H new ATOM 0 HB3 SER A 107 -10.031 -25.150 20.620 1.00 0.00 H new ATOM 0 HG SER A 107 -7.734 -25.467 20.610 1.00 0.00 H new ATOM 1555 N ILE A 108 -12.530 -24.491 18.093 1.00 0.00 N ATOM 1556 CA ILE A 108 -13.761 -23.710 18.071 1.00 0.00 C ATOM 1557 C ILE A 108 -14.598 -23.968 19.320 1.00 0.00 C ATOM 1558 O ILE A 108 -14.558 -25.057 19.893 1.00 0.00 O ATOM 1559 CB ILE A 108 -14.608 -24.028 16.825 1.00 0.00 C ATOM 1560 CG1 ILE A 108 -15.633 -22.918 16.581 1.00 0.00 C ATOM 1561 CG2 ILE A 108 -15.302 -25.372 16.984 1.00 0.00 C ATOM 1562 CD1 ILE A 108 -15.974 -22.721 15.121 1.00 0.00 C ATOM 0 H ILE A 108 -12.634 -25.451 17.764 1.00 0.00 H new ATOM 0 HA ILE A 108 -13.468 -22.661 18.043 1.00 0.00 H new ATOM 0 HB ILE A 108 -13.947 -24.083 15.960 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -16.545 -23.150 17.131 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -15.246 -21.982 16.985 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -15.897 -25.582 16.095 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -14.554 -26.154 17.114 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -15.953 -25.344 17.858 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -16.706 -21.919 15.023 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -15.072 -22.458 14.569 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -16.391 -23.644 14.717 1.00 0.00 H new ATOM 1574 N VAL A 109 -15.357 -22.960 19.735 1.00 0.00 N ATOM 1575 CA VAL A 109 -16.207 -23.078 20.914 1.00 0.00 C ATOM 1576 C VAL A 109 -17.678 -22.907 20.551 1.00 0.00 C ATOM 1577 O VAL A 109 -18.550 -23.556 21.128 1.00 0.00 O ATOM 1578 CB VAL A 109 -15.830 -22.036 21.985 1.00 0.00 C ATOM 1579 CG1 VAL A 109 -14.397 -22.245 22.452 1.00 0.00 C ATOM 1580 CG2 VAL A 109 -16.024 -20.626 21.447 1.00 0.00 C ATOM 0 H VAL A 109 -15.401 -22.052 19.273 1.00 0.00 H new ATOM 0 HA VAL A 109 -16.049 -24.078 21.318 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.489 -22.167 22.843 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.148 -21.500 23.208 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -14.295 -23.243 22.878 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -13.719 -22.142 21.604 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -15.753 -19.903 22.216 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -15.390 -20.480 20.572 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -17.068 -20.484 21.167 1.00 0.00 H new