USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=23 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 38 MET CE :methyl -123:sc= -0.0695 (180deg=-1.74!) USER MOD Set 1.2: A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -20:sc= 0.167 USER MOD Single : A 22 THR OG1 : rot 45:sc= 0.514 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 -144:sc= -1.11 (180deg=-1.81) USER MOD Single : A 35 THR OG1 : rot -109:sc= 0.0171 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.426 USER MOD Single : A 67 GLN : amide:sc= -2.49 K(o=-2.5,f=-9.6!) USER MOD Single : A 68 THR OG1 : rot -15:sc= 0.562 USER MOD Single : A 69 SER OG : rot -121:sc= 0.363 USER MOD Single : A 70 THR OG1 : rot -22:sc= 0.735 USER MOD Single : A 71 THR OG1 : rot 7:sc= 0.587 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= -1.88 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 30:sc= -0.0262 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 97 LYS NZ :NH3+ 155:sc= -1.23 (180deg=-2.19) USER MOD Single : A 99 THR OG1 : rot -58:sc= -0.119 USER MOD Single : A 104 THR OG1 : rot -49:sc= -0.105 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 282 N THR A 20 -2.556 -16.833 7.625 1.00 0.00 N ATOM 283 CA THR A 20 -3.523 -17.700 6.964 1.00 0.00 C ATOM 284 C THR A 20 -2.886 -18.443 5.795 1.00 0.00 C ATOM 285 O THR A 20 -1.755 -18.154 5.406 1.00 0.00 O ATOM 286 CB THR A 20 -4.735 -16.900 6.450 1.00 0.00 C ATOM 287 OG1 THR A 20 -4.290 -15.763 5.702 1.00 0.00 O ATOM 288 CG2 THR A 20 -5.611 -16.442 7.606 1.00 0.00 C ATOM 0 HA THR A 20 -3.862 -18.421 7.708 1.00 0.00 H new ATOM 0 HB THR A 20 -5.325 -17.551 5.804 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.360 -15.561 5.936 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.460 -15.879 7.218 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.972 -17.311 8.155 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.029 -15.807 8.274 1.00 0.00 H new ATOM 296 N ALA A 21 -3.620 -19.401 5.239 1.00 0.00 N ATOM 297 CA ALA A 21 -3.127 -20.184 4.112 1.00 0.00 C ATOM 298 C ALA A 21 -3.821 -19.778 2.817 1.00 0.00 C ATOM 299 O ALA A 21 -4.965 -19.321 2.829 1.00 0.00 O ATOM 300 CB ALA A 21 -3.323 -21.669 4.376 1.00 0.00 C ATOM 0 H ALA A 21 -4.558 -19.654 5.550 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.061 -19.984 4.000 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.951 -22.242 3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.775 -21.954 5.274 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.384 -21.877 4.517 1.00 0.00 H new ATOM 306 N THR A 22 -3.122 -19.947 1.698 1.00 0.00 N ATOM 307 CA THR A 22 -3.671 -19.597 0.394 1.00 0.00 C ATOM 308 C THR A 22 -3.543 -20.758 -0.586 1.00 0.00 C ATOM 309 O THR A 22 -2.479 -20.980 -1.164 1.00 0.00 O ATOM 310 CB THR A 22 -2.967 -18.361 -0.197 1.00 0.00 C ATOM 311 OG1 THR A 22 -1.549 -18.558 -0.199 1.00 0.00 O ATOM 312 CG2 THR A 22 -3.310 -17.111 0.599 1.00 0.00 C ATOM 0 H THR A 22 -2.175 -20.324 1.669 1.00 0.00 H new ATOM 0 HA THR A 22 -4.726 -19.368 0.545 1.00 0.00 H new ATOM 0 HB THR A 22 -3.315 -18.227 -1.221 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.344 -19.458 -0.528 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.801 -16.251 0.163 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.387 -16.947 0.573 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.987 -17.238 1.632 1.00 0.00 H new ATOM 320 N ALA A 23 -4.634 -21.495 -0.769 1.00 0.00 N ATOM 321 CA ALA A 23 -4.644 -22.631 -1.681 1.00 0.00 C ATOM 322 C ALA A 23 -4.862 -22.178 -3.121 1.00 0.00 C ATOM 323 O ALA A 23 -5.265 -21.045 -3.386 1.00 0.00 O ATOM 324 CB ALA A 23 -5.718 -23.628 -1.271 1.00 0.00 C ATOM 0 H ALA A 23 -5.522 -21.325 -0.297 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.671 -23.118 -1.625 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.714 -24.472 -1.961 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.517 -23.985 -0.261 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.694 -23.143 -1.297 1.00 0.00 H new ATOM 330 N PRO A 24 -4.589 -23.080 -4.074 1.00 0.00 N ATOM 331 CA PRO A 24 -4.748 -22.795 -5.503 1.00 0.00 C ATOM 332 C PRO A 24 -6.212 -22.664 -5.909 1.00 0.00 C ATOM 333 O PRO A 24 -6.522 -22.353 -7.058 1.00 0.00 O ATOM 334 CB PRO A 24 -4.112 -24.012 -6.181 1.00 0.00 C ATOM 335 CG PRO A 24 -4.227 -25.107 -5.178 1.00 0.00 C ATOM 336 CD PRO A 24 -4.105 -24.450 -3.831 1.00 0.00 C ATOM 0 HA PRO A 24 -4.290 -21.846 -5.782 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.630 -24.266 -7.106 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.071 -23.821 -6.441 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.181 -25.626 -5.274 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.444 -25.851 -5.321 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.706 -24.961 -3.079 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.075 -24.455 -3.473 1.00 0.00 H new ATOM 344 N GLY A 25 -7.109 -22.903 -4.957 1.00 0.00 N ATOM 345 CA GLY A 25 -8.530 -22.806 -5.235 1.00 0.00 C ATOM 346 C GLY A 25 -9.034 -23.956 -6.084 1.00 0.00 C ATOM 347 O GLY A 25 -8.619 -24.118 -7.231 1.00 0.00 O ATOM 0 H GLY A 25 -6.877 -23.162 -3.998 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.080 -22.784 -4.294 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.734 -21.865 -5.746 1.00 0.00 H new ATOM 351 N GLY A 26 -9.932 -24.758 -5.520 1.00 0.00 N ATOM 352 CA GLY A 26 -10.477 -25.889 -6.247 1.00 0.00 C ATOM 353 C GLY A 26 -11.910 -26.193 -5.857 1.00 0.00 C ATOM 354 O GLY A 26 -12.425 -27.274 -6.146 1.00 0.00 O ATOM 0 H GLY A 26 -10.292 -24.644 -4.572 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.430 -25.686 -7.317 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.859 -26.768 -6.062 1.00 0.00 H new ATOM 358 N LEU A 27 -12.557 -25.238 -5.198 1.00 0.00 N ATOM 359 CA LEU A 27 -13.940 -25.409 -4.766 1.00 0.00 C ATOM 360 C LEU A 27 -14.814 -25.894 -5.917 1.00 0.00 C ATOM 361 O LEU A 27 -14.452 -25.756 -7.086 1.00 0.00 O ATOM 362 CB LEU A 27 -14.489 -24.092 -4.213 1.00 0.00 C ATOM 363 CG LEU A 27 -15.309 -24.193 -2.927 1.00 0.00 C ATOM 364 CD1 LEU A 27 -15.241 -22.890 -2.146 1.00 0.00 C ATOM 365 CD2 LEU A 27 -16.753 -24.554 -3.242 1.00 0.00 C ATOM 0 H LEU A 27 -12.146 -24.338 -4.951 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.958 -26.162 -3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.650 -23.419 -4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.110 -23.630 -4.980 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.884 -24.985 -2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.831 -22.981 -1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.204 -22.674 -1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.639 -22.079 -2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -17.322 -24.622 -2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -17.189 -23.785 -3.880 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.784 -25.514 -3.757 1.00 0.00 H new ATOM 377 N SER A 28 -15.968 -26.460 -5.579 1.00 0.00 N ATOM 378 CA SER A 28 -16.894 -26.967 -6.585 1.00 0.00 C ATOM 379 C SER A 28 -17.836 -25.866 -7.061 1.00 0.00 C ATOM 380 O SER A 28 -17.986 -25.638 -8.261 1.00 0.00 O ATOM 381 CB SER A 28 -17.703 -28.137 -6.021 1.00 0.00 C ATOM 382 OG SER A 28 -18.660 -28.596 -6.960 1.00 0.00 O ATOM 0 H SER A 28 -16.284 -26.579 -4.617 1.00 0.00 H new ATOM 0 HA SER A 28 -16.310 -27.315 -7.437 1.00 0.00 H new ATOM 0 HB2 SER A 28 -17.031 -28.953 -5.754 1.00 0.00 H new ATOM 0 HB3 SER A 28 -18.207 -27.827 -5.106 1.00 0.00 H new ATOM 0 HG SER A 28 -19.162 -29.345 -6.576 1.00 0.00 H new ATOM 388 N ALA A 29 -18.468 -25.185 -6.111 1.00 0.00 N ATOM 389 CA ALA A 29 -19.394 -24.106 -6.432 1.00 0.00 C ATOM 390 C ALA A 29 -19.271 -22.961 -5.431 1.00 0.00 C ATOM 391 O ALA A 29 -18.498 -23.038 -4.476 1.00 0.00 O ATOM 392 CB ALA A 29 -20.823 -24.628 -6.465 1.00 0.00 C ATOM 0 H ALA A 29 -18.356 -25.361 -5.113 1.00 0.00 H new ATOM 0 HA ALA A 29 -19.136 -23.722 -7.419 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -21.503 -23.811 -6.706 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -20.908 -25.407 -7.223 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -21.082 -25.040 -5.490 1.00 0.00 H new ATOM 398 N LYS A 30 -20.037 -21.899 -5.657 1.00 0.00 N ATOM 399 CA LYS A 30 -20.014 -20.738 -4.775 1.00 0.00 C ATOM 400 C LYS A 30 -20.182 -21.157 -3.318 1.00 0.00 C ATOM 401 O LYS A 30 -20.988 -22.033 -3.003 1.00 0.00 O ATOM 402 CB LYS A 30 -21.121 -19.755 -5.165 1.00 0.00 C ATOM 403 CG LYS A 30 -20.934 -19.143 -6.542 1.00 0.00 C ATOM 404 CD LYS A 30 -22.264 -18.749 -7.162 1.00 0.00 C ATOM 405 CE LYS A 30 -22.185 -18.724 -8.681 1.00 0.00 C ATOM 406 NZ LYS A 30 -21.654 -17.428 -9.188 1.00 0.00 N ATOM 0 H LYS A 30 -20.681 -21.818 -6.443 1.00 0.00 H new ATOM 0 HA LYS A 30 -19.046 -20.249 -4.884 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -22.081 -20.271 -5.133 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -21.163 -18.956 -4.424 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -20.292 -18.265 -6.467 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -20.425 -19.855 -7.192 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -23.035 -19.452 -6.848 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -22.561 -17.766 -6.796 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -21.546 -19.538 -9.025 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -23.176 -18.899 -9.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -21.616 -17.451 -10.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -22.277 -16.654 -8.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -20.698 -17.273 -8.810 1.00 0.00 H new ATOM 420 N ALA A 31 -19.416 -20.526 -2.434 1.00 0.00 N ATOM 421 CA ALA A 31 -19.483 -20.832 -1.010 1.00 0.00 C ATOM 422 C ALA A 31 -19.174 -19.598 -0.169 1.00 0.00 C ATOM 423 O ALA A 31 -18.183 -18.901 -0.386 1.00 0.00 O ATOM 424 CB ALA A 31 -18.522 -21.961 -0.667 1.00 0.00 C ATOM 0 H ALA A 31 -18.742 -19.800 -2.679 1.00 0.00 H new ATOM 0 HA ALA A 31 -20.499 -21.152 -0.779 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -18.582 -22.179 0.399 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -18.790 -22.852 -1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -17.505 -21.662 -0.919 1.00 0.00 H new ATOM 430 N PRO A 32 -20.043 -19.319 0.814 1.00 0.00 N ATOM 431 CA PRO A 32 -19.883 -18.168 1.708 1.00 0.00 C ATOM 432 C PRO A 32 -18.705 -18.333 2.662 1.00 0.00 C ATOM 433 O PRO A 32 -18.232 -19.445 2.892 1.00 0.00 O ATOM 434 CB PRO A 32 -21.201 -18.138 2.486 1.00 0.00 C ATOM 435 CG PRO A 32 -21.694 -19.544 2.451 1.00 0.00 C ATOM 436 CD PRO A 32 -21.246 -20.107 1.130 1.00 0.00 C ATOM 0 HA PRO A 32 -19.675 -17.250 1.157 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -21.048 -17.797 3.510 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -21.916 -17.456 2.027 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -21.285 -20.122 3.280 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -22.780 -19.579 2.542 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -21.022 -21.171 1.202 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -22.013 -19.994 0.364 1.00 0.00 H new ATOM 444 N ALA A 33 -18.236 -17.219 3.214 1.00 0.00 N ATOM 445 CA ALA A 33 -17.115 -17.241 4.145 1.00 0.00 C ATOM 446 C ALA A 33 -17.570 -17.643 5.544 1.00 0.00 C ATOM 447 O ALA A 33 -18.732 -17.992 5.752 1.00 0.00 O ATOM 448 CB ALA A 33 -16.432 -15.882 4.181 1.00 0.00 C ATOM 0 H ALA A 33 -18.615 -16.290 3.032 1.00 0.00 H new ATOM 0 HA ALA A 33 -16.400 -17.986 3.796 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.597 -15.913 4.880 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.063 -15.634 3.186 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -17.146 -15.124 4.503 1.00 0.00 H new ATOM 454 N MET A 34 -16.648 -17.593 6.499 1.00 0.00 N ATOM 455 CA MET A 34 -16.956 -17.952 7.878 1.00 0.00 C ATOM 456 C MET A 34 -17.500 -19.374 7.961 1.00 0.00 C ATOM 457 O MET A 34 -18.567 -19.610 8.528 1.00 0.00 O ATOM 458 CB MET A 34 -17.970 -16.970 8.469 1.00 0.00 C ATOM 459 CG MET A 34 -17.335 -15.717 9.051 1.00 0.00 C ATOM 460 SD MET A 34 -16.100 -16.086 10.312 1.00 0.00 S ATOM 461 CE MET A 34 -17.097 -16.957 11.518 1.00 0.00 C ATOM 0 H MET A 34 -15.681 -17.307 6.343 1.00 0.00 H new ATOM 0 HA MET A 34 -16.033 -17.901 8.455 1.00 0.00 H new ATOM 0 HB2 MET A 34 -18.679 -16.681 7.693 1.00 0.00 H new ATOM 0 HB3 MET A 34 -18.540 -17.475 9.249 1.00 0.00 H new ATOM 0 HG2 MET A 34 -16.870 -15.144 8.249 1.00 0.00 H new ATOM 0 HG3 MET A 34 -18.113 -15.087 9.483 1.00 0.00 H new ATOM 0 HE1 MET A 34 -16.755 -16.706 12.522 1.00 0.00 H new ATOM 0 HE2 MET A 34 -18.141 -16.664 11.406 1.00 0.00 H new ATOM 0 HE3 MET A 34 -17.002 -18.031 11.360 1.00 0.00 H new ATOM 471 N THR A 35 -16.760 -20.320 7.392 1.00 0.00 N ATOM 472 CA THR A 35 -17.169 -21.719 7.400 1.00 0.00 C ATOM 473 C THR A 35 -15.969 -22.644 7.234 1.00 0.00 C ATOM 474 O THR A 35 -14.970 -22.298 6.602 1.00 0.00 O ATOM 475 CB THR A 35 -18.188 -22.013 6.283 1.00 0.00 C ATOM 476 OG1 THR A 35 -17.577 -21.830 5.001 1.00 0.00 O ATOM 477 CG2 THR A 35 -19.403 -21.105 6.406 1.00 0.00 C ATOM 0 H THR A 35 -15.874 -20.143 6.919 1.00 0.00 H new ATOM 0 HA THR A 35 -17.637 -21.906 8.367 1.00 0.00 H new ATOM 0 HB THR A 35 -18.516 -23.048 6.384 1.00 0.00 H new ATOM 0 HG1 THR A 35 -17.944 -21.027 4.575 1.00 0.00 H new ATOM 0 HG21 THR A 35 -20.109 -21.331 5.607 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.883 -21.268 7.371 1.00 0.00 H new ATOM 0 HG23 THR A 35 -19.089 -20.064 6.329 1.00 0.00 H new ATOM 485 N PRO A 36 -16.066 -23.851 7.812 1.00 0.00 N ATOM 486 CA PRO A 36 -14.997 -24.851 7.740 1.00 0.00 C ATOM 487 C PRO A 36 -14.836 -25.428 6.337 1.00 0.00 C ATOM 488 O PRO A 36 -15.801 -25.516 5.576 1.00 0.00 O ATOM 489 CB PRO A 36 -15.461 -25.937 8.714 1.00 0.00 C ATOM 490 CG PRO A 36 -16.944 -25.797 8.759 1.00 0.00 C ATOM 491 CD PRO A 36 -17.227 -24.331 8.579 1.00 0.00 C ATOM 0 HA PRO A 36 -14.024 -24.426 7.986 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.167 -26.929 8.370 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.020 -25.798 9.701 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -17.416 -26.385 7.972 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.341 -26.158 9.708 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -18.160 -24.165 8.041 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -17.316 -23.818 9.537 1.00 0.00 H new ATOM 499 N LEU A 37 -13.612 -25.820 6.001 1.00 0.00 N ATOM 500 CA LEU A 37 -13.325 -26.389 4.689 1.00 0.00 C ATOM 501 C LEU A 37 -12.569 -27.707 4.821 1.00 0.00 C ATOM 502 O LEU A 37 -12.117 -28.069 5.907 1.00 0.00 O ATOM 503 CB LEU A 37 -12.510 -25.402 3.850 1.00 0.00 C ATOM 504 CG LEU A 37 -12.992 -23.951 3.865 1.00 0.00 C ATOM 505 CD1 LEU A 37 -11.896 -23.019 3.372 1.00 0.00 C ATOM 506 CD2 LEU A 37 -14.246 -23.797 3.017 1.00 0.00 C ATOM 0 H LEU A 37 -12.803 -25.754 6.619 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.274 -26.584 4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.478 -25.425 4.200 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.505 -25.751 2.818 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.236 -23.680 4.892 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.257 -21.991 3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.024 -23.108 4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.620 -23.289 2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -14.575 -22.758 3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.028 -24.087 1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.035 -24.436 3.414 1.00 0.00 H new ATOM 518 N MET A 38 -12.433 -28.419 3.707 1.00 0.00 N ATOM 519 CA MET A 38 -11.727 -29.696 3.698 1.00 0.00 C ATOM 520 C MET A 38 -10.744 -29.766 2.534 1.00 0.00 C ATOM 521 O MET A 38 -10.983 -29.190 1.471 1.00 0.00 O ATOM 522 CB MET A 38 -12.724 -30.853 3.610 1.00 0.00 C ATOM 523 CG MET A 38 -13.290 -31.062 2.214 1.00 0.00 C ATOM 524 SD MET A 38 -14.666 -32.227 2.190 1.00 0.00 S ATOM 525 CE MET A 38 -13.818 -33.760 2.562 1.00 0.00 C ATOM 0 H MET A 38 -12.802 -28.134 2.800 1.00 0.00 H new ATOM 0 HA MET A 38 -11.166 -29.779 4.629 1.00 0.00 H new ATOM 0 HB2 MET A 38 -12.233 -31.770 3.935 1.00 0.00 H new ATOM 0 HB3 MET A 38 -13.545 -30.668 4.302 1.00 0.00 H new ATOM 0 HG2 MET A 38 -13.623 -30.104 1.814 1.00 0.00 H new ATOM 0 HG3 MET A 38 -12.500 -31.425 1.556 1.00 0.00 H new ATOM 0 HE1 MET A 38 -14.004 -34.481 1.766 1.00 0.00 H new ATOM 0 HE2 MET A 38 -12.747 -33.574 2.640 1.00 0.00 H new ATOM 0 HE3 MET A 38 -14.187 -34.160 3.507 1.00 0.00 H new ATOM 535 N LEU A 39 -9.640 -30.474 2.740 1.00 0.00 N ATOM 536 CA LEU A 39 -8.620 -30.619 1.707 1.00 0.00 C ATOM 537 C LEU A 39 -9.130 -31.478 0.555 1.00 0.00 C ATOM 538 O LEU A 39 -10.132 -32.180 0.688 1.00 0.00 O ATOM 539 CB LEU A 39 -7.352 -31.239 2.298 1.00 0.00 C ATOM 540 CG LEU A 39 -6.333 -30.258 2.879 1.00 0.00 C ATOM 541 CD1 LEU A 39 -5.522 -30.921 3.981 1.00 0.00 C ATOM 542 CD2 LEU A 39 -5.417 -29.730 1.784 1.00 0.00 C ATOM 0 H LEU A 39 -9.428 -30.957 3.613 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.386 -29.627 1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.644 -31.936 3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.861 -31.824 1.520 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.873 -29.416 3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.802 -30.208 4.382 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.190 -31.249 4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.991 -31.782 3.575 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.698 -29.033 2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.884 -30.562 1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.012 -29.216 1.029 1.00 0.00 H new ATOM 626 N LYS A 45 -5.545 -29.282 -3.267 1.00 0.00 N ATOM 627 CA LYS A 45 -6.366 -28.081 -3.370 1.00 0.00 C ATOM 628 C LYS A 45 -7.229 -27.903 -2.125 1.00 0.00 C ATOM 629 O LYS A 45 -7.225 -28.748 -1.228 1.00 0.00 O ATOM 630 CB LYS A 45 -7.256 -28.152 -4.613 1.00 0.00 C ATOM 631 CG LYS A 45 -6.485 -28.055 -5.919 1.00 0.00 C ATOM 632 CD LYS A 45 -7.215 -28.757 -7.051 1.00 0.00 C ATOM 633 CE LYS A 45 -6.507 -28.555 -8.382 1.00 0.00 C ATOM 634 NZ LYS A 45 -6.917 -27.284 -9.040 1.00 0.00 N ATOM 0 HA LYS A 45 -5.700 -27.222 -3.455 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.813 -29.089 -4.598 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.988 -27.346 -4.572 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.335 -27.007 -6.177 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.497 -28.497 -5.793 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.286 -29.823 -6.834 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.234 -28.377 -7.119 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.429 -28.550 -8.223 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.728 -29.394 -9.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.413 -27.183 -9.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.942 -27.299 -9.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.683 -26.482 -8.421 1.00 0.00 H new ATOM 648 N LEU A 46 -7.968 -26.800 -2.075 1.00 0.00 N ATOM 649 CA LEU A 46 -8.837 -26.512 -0.940 1.00 0.00 C ATOM 650 C LEU A 46 -10.283 -26.334 -1.393 1.00 0.00 C ATOM 651 O LEU A 46 -10.573 -25.526 -2.274 1.00 0.00 O ATOM 652 CB LEU A 46 -8.360 -25.254 -0.213 1.00 0.00 C ATOM 653 CG LEU A 46 -8.662 -25.189 1.285 1.00 0.00 C ATOM 654 CD1 LEU A 46 -9.925 -25.971 1.609 1.00 0.00 C ATOM 655 CD2 LEU A 46 -7.484 -25.716 2.090 1.00 0.00 C ATOM 0 H LEU A 46 -7.983 -26.090 -2.808 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.791 -27.359 -0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.282 -25.166 -0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.814 -24.387 -0.693 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.825 -24.147 1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.124 -25.914 2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.766 -25.547 1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.792 -27.014 1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.717 -25.662 3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.289 -26.752 1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.601 -25.112 1.881 1.00 0.00 H new ATOM 667 N VAL A 47 -11.187 -27.093 -0.781 1.00 0.00 N ATOM 668 CA VAL A 47 -12.603 -27.017 -1.119 1.00 0.00 C ATOM 669 C VAL A 47 -13.469 -27.034 0.136 1.00 0.00 C ATOM 670 O VAL A 47 -13.031 -27.473 1.199 1.00 0.00 O ATOM 671 CB VAL A 47 -13.025 -28.180 -2.036 1.00 0.00 C ATOM 672 CG1 VAL A 47 -12.063 -28.313 -3.207 1.00 0.00 C ATOM 673 CG2 VAL A 47 -13.102 -29.479 -1.248 1.00 0.00 C ATOM 0 H VAL A 47 -10.964 -27.767 -0.049 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.752 -26.075 -1.648 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.016 -27.964 -2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.377 -29.140 -3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.064 -27.389 -3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.058 -28.506 -2.832 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -13.402 -30.290 -1.912 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -12.125 -29.703 -0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -13.835 -29.376 -0.447 1.00 0.00 H new ATOM 683 N ALA A 48 -14.701 -26.554 0.005 1.00 0.00 N ATOM 684 CA ALA A 48 -15.630 -26.516 1.128 1.00 0.00 C ATOM 685 C ALA A 48 -15.809 -27.902 1.739 1.00 0.00 C ATOM 686 O ALA A 48 -15.648 -28.916 1.059 1.00 0.00 O ATOM 687 CB ALA A 48 -16.973 -25.956 0.683 1.00 0.00 C ATOM 0 H ALA A 48 -15.079 -26.186 -0.868 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.211 -25.862 1.892 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -17.657 -25.933 1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -16.837 -24.945 0.300 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -17.389 -26.588 -0.101 1.00 0.00 H new ATOM 693 N TRP A 49 -16.142 -27.938 3.024 1.00 0.00 N ATOM 694 CA TRP A 49 -16.342 -29.201 3.726 1.00 0.00 C ATOM 695 C TRP A 49 -17.657 -29.852 3.312 1.00 0.00 C ATOM 696 O TRP A 49 -18.660 -29.169 3.107 1.00 0.00 O ATOM 697 CB TRP A 49 -16.324 -28.975 5.239 1.00 0.00 C ATOM 698 CG TRP A 49 -16.607 -30.217 6.028 1.00 0.00 C ATOM 699 CD1 TRP A 49 -16.183 -31.483 5.744 1.00 0.00 C ATOM 700 CD2 TRP A 49 -17.378 -30.310 7.231 1.00 0.00 C ATOM 701 NE1 TRP A 49 -16.644 -32.359 6.697 1.00 0.00 N ATOM 702 CE2 TRP A 49 -17.379 -31.664 7.621 1.00 0.00 C ATOM 703 CE3 TRP A 49 -18.066 -29.383 8.018 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -18.043 -32.110 8.761 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -18.724 -29.826 9.149 1.00 0.00 C ATOM 706 CH2 TRP A 49 -18.708 -31.180 9.513 1.00 0.00 C ATOM 0 H TRP A 49 -16.279 -27.108 3.601 1.00 0.00 H new ATOM 0 HA TRP A 49 -15.526 -29.872 3.456 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -15.349 -28.583 5.529 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -17.062 -28.215 5.494 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -15.574 -31.756 4.895 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -16.468 -33.363 6.714 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -18.083 -28.338 7.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -18.033 -33.153 9.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -19.260 -29.117 9.763 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -19.231 -31.495 10.404 1.00 0.00 H new ATOM 717 N ASP A 50 -17.645 -31.174 3.192 1.00 0.00 N ATOM 718 CA ASP A 50 -18.838 -31.918 2.804 1.00 0.00 C ATOM 719 C ASP A 50 -19.897 -31.856 3.900 1.00 0.00 C ATOM 720 O ASP A 50 -21.089 -31.731 3.620 1.00 0.00 O ATOM 721 CB ASP A 50 -18.482 -33.374 2.502 1.00 0.00 C ATOM 722 CG ASP A 50 -19.433 -34.008 1.506 1.00 0.00 C ATOM 723 OD1 ASP A 50 -19.496 -33.526 0.356 1.00 0.00 O ATOM 724 OD2 ASP A 50 -20.115 -34.987 1.877 1.00 0.00 O ATOM 0 H ASP A 50 -16.822 -31.754 3.358 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.246 -31.459 1.904 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -17.466 -33.423 2.111 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -18.495 -33.948 3.429 1.00 0.00 H new ATOM 729 N GLY A 51 -19.454 -31.947 5.150 1.00 0.00 N ATOM 730 CA GLY A 51 -20.376 -31.901 6.270 1.00 0.00 C ATOM 731 C GLY A 51 -20.507 -33.240 6.969 1.00 0.00 C ATOM 732 O GLY A 51 -20.918 -33.307 8.127 1.00 0.00 O ATOM 0 H GLY A 51 -18.473 -32.052 5.407 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.036 -31.153 6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.356 -31.582 5.917 1.00 0.00 H new ATOM 736 N THR A 52 -20.157 -34.311 6.263 1.00 0.00 N ATOM 737 CA THR A 52 -20.240 -35.655 6.821 1.00 0.00 C ATOM 738 C THR A 52 -18.867 -36.155 7.256 1.00 0.00 C ATOM 739 O THR A 52 -18.662 -36.505 8.419 1.00 0.00 O ATOM 740 CB THR A 52 -20.838 -36.648 5.807 1.00 0.00 C ATOM 741 OG1 THR A 52 -19.940 -36.823 4.705 1.00 0.00 O ATOM 742 CG2 THR A 52 -22.185 -36.157 5.298 1.00 0.00 C ATOM 0 H THR A 52 -19.813 -34.273 5.303 1.00 0.00 H new ATOM 0 HA THR A 52 -20.895 -35.597 7.690 1.00 0.00 H new ATOM 0 HB THR A 52 -20.985 -37.603 6.311 1.00 0.00 H new ATOM 0 HG1 THR A 52 -20.327 -37.457 4.065 1.00 0.00 H new ATOM 0 HG21 THR A 52 -22.588 -36.875 4.583 1.00 0.00 H new ATOM 0 HG22 THR A 52 -22.875 -36.053 6.136 1.00 0.00 H new ATOM 0 HG23 THR A 52 -22.059 -35.191 4.810 1.00 0.00 H new ATOM 750 N THR A 53 -17.928 -36.185 6.316 1.00 0.00 N ATOM 751 CA THR A 53 -16.574 -36.643 6.603 1.00 0.00 C ATOM 752 C THR A 53 -16.101 -36.143 7.963 1.00 0.00 C ATOM 753 O THR A 53 -15.913 -34.943 8.162 1.00 0.00 O ATOM 754 CB THR A 53 -15.582 -36.173 5.522 1.00 0.00 C ATOM 755 OG1 THR A 53 -15.956 -36.708 4.248 1.00 0.00 O ATOM 756 CG2 THR A 53 -14.165 -36.607 5.864 1.00 0.00 C ATOM 0 H THR A 53 -18.080 -35.898 5.349 1.00 0.00 H new ATOM 0 HA THR A 53 -16.603 -37.733 6.610 1.00 0.00 H new ATOM 0 HB THR A 53 -15.612 -35.084 5.481 1.00 0.00 H new ATOM 0 HG1 THR A 53 -15.322 -36.403 3.566 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.482 -36.264 5.087 1.00 0.00 H new ATOM 0 HG22 THR A 53 -13.873 -36.174 6.821 1.00 0.00 H new ATOM 0 HG23 THR A 53 -14.123 -37.694 5.930 1.00 0.00 H new ATOM 764 N ASP A 54 -15.911 -37.070 8.895 1.00 0.00 N ATOM 765 CA ASP A 54 -15.458 -36.723 10.237 1.00 0.00 C ATOM 766 C ASP A 54 -13.970 -36.386 10.238 1.00 0.00 C ATOM 767 O ASP A 54 -13.140 -37.195 9.827 1.00 0.00 O ATOM 768 CB ASP A 54 -15.734 -37.874 11.205 1.00 0.00 C ATOM 769 CG ASP A 54 -15.445 -39.230 10.590 1.00 0.00 C ATOM 770 OD1 ASP A 54 -16.304 -39.735 9.838 1.00 0.00 O ATOM 771 OD2 ASP A 54 -14.359 -39.786 10.862 1.00 0.00 O ATOM 0 H ASP A 54 -16.064 -38.067 8.746 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.011 -35.843 10.565 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.124 -37.747 12.100 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -16.776 -37.837 11.522 1.00 0.00 H new ATOM 776 N GLY A 55 -13.641 -35.185 10.703 1.00 0.00 N ATOM 777 CA GLY A 55 -12.253 -34.761 10.747 1.00 0.00 C ATOM 778 C GLY A 55 -11.790 -34.154 9.438 1.00 0.00 C ATOM 779 O GLY A 55 -10.597 -33.929 9.238 1.00 0.00 O ATOM 0 H GLY A 55 -14.310 -34.498 11.050 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.124 -34.032 11.547 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.623 -35.616 10.990 1.00 0.00 H new ATOM 783 N ALA A 56 -12.736 -33.889 8.543 1.00 0.00 N ATOM 784 CA ALA A 56 -12.419 -33.303 7.246 1.00 0.00 C ATOM 785 C ALA A 56 -12.098 -31.818 7.378 1.00 0.00 C ATOM 786 O ALA A 56 -11.316 -31.272 6.601 1.00 0.00 O ATOM 787 CB ALA A 56 -13.573 -33.512 6.276 1.00 0.00 C ATOM 0 H ALA A 56 -13.728 -34.071 8.692 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.534 -33.805 6.854 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.323 -33.069 5.312 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.753 -34.580 6.149 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.471 -33.037 6.671 1.00 0.00 H new ATOM 793 N ALA A 57 -12.707 -31.171 8.366 1.00 0.00 N ATOM 794 CA ALA A 57 -12.484 -29.750 8.600 1.00 0.00 C ATOM 795 C ALA A 57 -11.030 -29.475 8.968 1.00 0.00 C ATOM 796 O ALA A 57 -10.523 -29.992 9.964 1.00 0.00 O ATOM 797 CB ALA A 57 -13.412 -29.243 9.694 1.00 0.00 C ATOM 0 H ALA A 57 -13.359 -31.609 9.017 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.704 -29.216 7.675 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.234 -28.180 9.858 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.448 -29.395 9.392 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -13.219 -29.790 10.617 1.00 0.00 H new ATOM 803 N VAL A 58 -10.363 -28.659 8.159 1.00 0.00 N ATOM 804 CA VAL A 58 -8.967 -28.315 8.400 1.00 0.00 C ATOM 805 C VAL A 58 -8.809 -26.827 8.691 1.00 0.00 C ATOM 806 O VAL A 58 -7.912 -26.419 9.426 1.00 0.00 O ATOM 807 CB VAL A 58 -8.081 -28.689 7.196 1.00 0.00 C ATOM 808 CG1 VAL A 58 -8.342 -30.124 6.766 1.00 0.00 C ATOM 809 CG2 VAL A 58 -8.318 -27.726 6.042 1.00 0.00 C ATOM 0 H VAL A 58 -10.767 -28.223 7.330 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.646 -28.888 9.270 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.036 -28.610 7.497 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.707 -30.370 5.915 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -8.118 -30.798 7.593 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.389 -30.234 6.482 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.684 -28.004 5.200 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.364 -27.771 5.740 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.075 -26.712 6.359 1.00 0.00 H new ATOM 819 N GLY A 59 -9.690 -26.019 8.107 1.00 0.00 N ATOM 820 CA GLY A 59 -9.632 -24.584 8.316 1.00 0.00 C ATOM 821 C GLY A 59 -10.961 -23.905 8.049 1.00 0.00 C ATOM 822 O GLY A 59 -11.907 -24.541 7.584 1.00 0.00 O ATOM 0 H GLY A 59 -10.442 -26.333 7.493 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.324 -24.382 9.342 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.871 -24.155 7.664 1.00 0.00 H new ATOM 826 N ILE A 60 -11.032 -22.612 8.345 1.00 0.00 N ATOM 827 CA ILE A 60 -12.255 -21.847 8.135 1.00 0.00 C ATOM 828 C ILE A 60 -12.025 -20.702 7.155 1.00 0.00 C ATOM 829 O ILE A 60 -11.184 -19.832 7.386 1.00 0.00 O ATOM 830 CB ILE A 60 -12.796 -21.275 9.458 1.00 0.00 C ATOM 831 CG1 ILE A 60 -12.933 -22.386 10.502 1.00 0.00 C ATOM 832 CG2 ILE A 60 -14.134 -20.588 9.231 1.00 0.00 C ATOM 833 CD1 ILE A 60 -12.909 -21.882 11.928 1.00 0.00 C ATOM 0 H ILE A 60 -10.257 -22.072 8.731 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.991 -22.536 7.720 1.00 0.00 H new ATOM 0 HB ILE A 60 -12.088 -20.535 9.832 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.867 -22.922 10.330 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.124 -23.104 10.365 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -14.503 -20.189 10.176 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -14.008 -19.774 8.518 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -14.851 -21.308 8.837 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -13.011 -22.724 12.613 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.965 -21.372 12.118 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -13.734 -21.187 12.082 1.00 0.00 H new ATOM 845 N LEU A 61 -12.780 -20.706 6.061 1.00 0.00 N ATOM 846 CA LEU A 61 -12.660 -19.666 5.046 1.00 0.00 C ATOM 847 C LEU A 61 -12.896 -18.285 5.650 1.00 0.00 C ATOM 848 O LEU A 61 -13.933 -18.033 6.262 1.00 0.00 O ATOM 849 CB LEU A 61 -13.656 -19.915 3.912 1.00 0.00 C ATOM 850 CG LEU A 61 -13.221 -19.452 2.521 1.00 0.00 C ATOM 851 CD1 LEU A 61 -14.434 -19.176 1.646 1.00 0.00 C ATOM 852 CD2 LEU A 61 -12.341 -18.215 2.623 1.00 0.00 C ATOM 0 H LEU A 61 -13.481 -21.418 5.855 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.647 -19.699 4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -13.866 -20.984 3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -14.593 -19.417 4.162 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.640 -20.250 2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -14.104 -18.848 0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -15.025 -20.086 1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -15.043 -18.396 2.103 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -12.040 -17.899 1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -12.897 -17.412 3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -11.454 -18.447 3.212 1.00 0.00 H new ATOM 864 N ALA A 62 -11.926 -17.394 5.472 1.00 0.00 N ATOM 865 CA ALA A 62 -12.029 -16.038 5.996 1.00 0.00 C ATOM 866 C ALA A 62 -12.955 -15.185 5.135 1.00 0.00 C ATOM 867 O ALA A 62 -13.844 -14.505 5.647 1.00 0.00 O ATOM 868 CB ALA A 62 -10.651 -15.399 6.085 1.00 0.00 C ATOM 0 H ALA A 62 -11.060 -17.587 4.969 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.456 -16.094 6.997 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.744 -14.387 6.478 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.019 -15.989 6.748 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.202 -15.363 5.093 1.00 0.00 H new ATOM 874 N VAL A 63 -12.739 -15.226 3.824 1.00 0.00 N ATOM 875 CA VAL A 63 -13.554 -14.457 2.891 1.00 0.00 C ATOM 876 C VAL A 63 -14.327 -15.376 1.951 1.00 0.00 C ATOM 877 O VAL A 63 -13.809 -16.395 1.498 1.00 0.00 O ATOM 878 CB VAL A 63 -12.692 -13.493 2.055 1.00 0.00 C ATOM 879 CG1 VAL A 63 -13.558 -12.715 1.076 1.00 0.00 C ATOM 880 CG2 VAL A 63 -11.918 -12.549 2.961 1.00 0.00 C ATOM 0 H VAL A 63 -12.007 -15.783 3.384 1.00 0.00 H new ATOM 0 HA VAL A 63 -14.258 -13.877 3.488 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.974 -14.079 1.482 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -12.932 -12.039 0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -14.063 -13.410 0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -14.301 -12.138 1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -11.314 -11.875 2.353 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.617 -11.968 3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.267 -13.127 3.617 1.00 0.00 H new ATOM 890 N ALA A 64 -15.571 -15.006 1.662 1.00 0.00 N ATOM 891 CA ALA A 64 -16.415 -15.795 0.774 1.00 0.00 C ATOM 892 C ALA A 64 -15.778 -15.941 -0.604 1.00 0.00 C ATOM 893 O ALA A 64 -15.438 -14.949 -1.249 1.00 0.00 O ATOM 894 CB ALA A 64 -17.794 -15.162 0.655 1.00 0.00 C ATOM 0 H ALA A 64 -16.016 -14.165 2.030 1.00 0.00 H new ATOM 0 HA ALA A 64 -16.520 -16.791 1.204 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -18.414 -15.762 -0.011 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.259 -15.116 1.640 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.698 -14.154 0.251 1.00 0.00 H new ATOM 900 N ALA A 65 -15.617 -17.183 -1.048 1.00 0.00 N ATOM 901 CA ALA A 65 -15.021 -17.458 -2.350 1.00 0.00 C ATOM 902 C ALA A 65 -15.961 -18.285 -3.220 1.00 0.00 C ATOM 903 O ALA A 65 -17.041 -18.682 -2.781 1.00 0.00 O ATOM 904 CB ALA A 65 -13.689 -18.173 -2.180 1.00 0.00 C ATOM 0 H ALA A 65 -15.891 -18.015 -0.525 1.00 0.00 H new ATOM 0 HA ALA A 65 -14.848 -16.506 -2.852 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.255 -18.372 -3.160 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -13.010 -17.545 -1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.846 -19.115 -1.655 1.00 0.00 H new ATOM 910 N ASP A 66 -15.544 -18.541 -4.455 1.00 0.00 N ATOM 911 CA ASP A 66 -16.349 -19.322 -5.387 1.00 0.00 C ATOM 912 C ASP A 66 -15.493 -20.361 -6.106 1.00 0.00 C ATOM 913 O ASP A 66 -14.265 -20.285 -6.090 1.00 0.00 O ATOM 914 CB ASP A 66 -17.021 -18.403 -6.408 1.00 0.00 C ATOM 915 CG ASP A 66 -16.212 -17.150 -6.680 1.00 0.00 C ATOM 916 OD1 ASP A 66 -14.966 -17.229 -6.645 1.00 0.00 O ATOM 917 OD2 ASP A 66 -16.824 -16.090 -6.927 1.00 0.00 O ATOM 0 H ASP A 66 -14.653 -18.219 -4.834 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.118 -19.842 -4.816 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.167 -18.947 -7.341 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -18.009 -18.122 -6.044 1.00 0.00 H new ATOM 922 N GLN A 67 -16.151 -21.331 -6.733 1.00 0.00 N ATOM 923 CA GLN A 67 -15.450 -22.386 -7.455 1.00 0.00 C ATOM 924 C GLN A 67 -14.665 -21.812 -8.630 1.00 0.00 C ATOM 925 O GLN A 67 -13.778 -22.468 -9.178 1.00 0.00 O ATOM 926 CB GLN A 67 -16.442 -23.438 -7.954 1.00 0.00 C ATOM 927 CG GLN A 67 -17.184 -23.025 -9.215 1.00 0.00 C ATOM 928 CD GLN A 67 -17.830 -21.659 -9.092 1.00 0.00 C ATOM 929 OE1 GLN A 67 -18.502 -21.365 -8.103 1.00 0.00 O ATOM 930 NE2 GLN A 67 -17.629 -20.816 -10.098 1.00 0.00 N ATOM 0 H GLN A 67 -17.168 -21.408 -6.755 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.747 -22.857 -6.768 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -15.907 -24.368 -8.146 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -17.167 -23.644 -7.167 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -16.490 -23.020 -10.055 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -17.951 -23.766 -9.440 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -17.065 -21.102 -10.898 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -18.039 -19.882 -10.071 1.00 0.00 H new ATOM 939 N THR A 68 -14.998 -20.583 -9.014 1.00 0.00 N ATOM 940 CA THR A 68 -14.325 -19.922 -10.125 1.00 0.00 C ATOM 941 C THR A 68 -13.071 -19.195 -9.655 1.00 0.00 C ATOM 942 O THR A 68 -12.270 -18.730 -10.466 1.00 0.00 O ATOM 943 CB THR A 68 -15.257 -18.914 -10.826 1.00 0.00 C ATOM 944 OG1 THR A 68 -14.542 -18.220 -11.854 1.00 0.00 O ATOM 945 CG2 THR A 68 -15.820 -17.914 -9.828 1.00 0.00 C ATOM 0 H THR A 68 -15.729 -20.026 -8.572 1.00 0.00 H new ATOM 0 HA THR A 68 -14.045 -20.701 -10.834 1.00 0.00 H new ATOM 0 HB THR A 68 -16.086 -19.466 -11.270 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.579 -18.351 -11.728 1.00 0.00 H new ATOM 0 HG21 THR A 68 -16.475 -17.213 -10.345 1.00 0.00 H new ATOM 0 HG22 THR A 68 -16.388 -18.444 -9.063 1.00 0.00 H new ATOM 0 HG23 THR A 68 -15.002 -17.368 -9.359 1.00 0.00 H new ATOM 953 N SER A 69 -12.905 -19.101 -8.339 1.00 0.00 N ATOM 954 CA SER A 69 -11.749 -18.427 -7.761 1.00 0.00 C ATOM 955 C SER A 69 -10.466 -19.196 -8.061 1.00 0.00 C ATOM 956 O SER A 69 -10.488 -20.410 -8.269 1.00 0.00 O ATOM 957 CB SER A 69 -11.924 -18.276 -6.248 1.00 0.00 C ATOM 958 OG SER A 69 -11.099 -17.242 -5.740 1.00 0.00 O ATOM 0 H SER A 69 -13.557 -19.483 -7.654 1.00 0.00 H new ATOM 0 HA SER A 69 -11.673 -17.437 -8.212 1.00 0.00 H new ATOM 0 HB2 SER A 69 -12.967 -18.059 -6.019 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.679 -19.217 -5.755 1.00 0.00 H new ATOM 0 HG SER A 69 -10.495 -17.609 -5.061 1.00 0.00 H new ATOM 964 N THR A 70 -9.345 -18.480 -8.083 1.00 0.00 N ATOM 965 CA THR A 70 -8.052 -19.093 -8.359 1.00 0.00 C ATOM 966 C THR A 70 -7.249 -19.282 -7.077 1.00 0.00 C ATOM 967 O THR A 70 -6.156 -19.850 -7.094 1.00 0.00 O ATOM 968 CB THR A 70 -7.229 -18.245 -9.347 1.00 0.00 C ATOM 969 OG1 THR A 70 -5.985 -18.896 -9.632 1.00 0.00 O ATOM 970 CG2 THR A 70 -6.964 -16.859 -8.781 1.00 0.00 C ATOM 0 H THR A 70 -9.307 -17.475 -7.913 1.00 0.00 H new ATOM 0 HA THR A 70 -8.252 -20.067 -8.806 1.00 0.00 H new ATOM 0 HB THR A 70 -7.803 -18.140 -10.267 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.773 -19.526 -8.912 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.381 -16.279 -9.497 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.912 -16.356 -8.592 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.408 -16.947 -7.848 1.00 0.00 H new ATOM 978 N THR A 71 -7.797 -18.803 -5.965 1.00 0.00 N ATOM 979 CA THR A 71 -7.131 -18.919 -4.673 1.00 0.00 C ATOM 980 C THR A 71 -8.129 -18.802 -3.527 1.00 0.00 C ATOM 981 O THR A 71 -9.089 -18.034 -3.603 1.00 0.00 O ATOM 982 CB THR A 71 -6.043 -17.842 -4.503 1.00 0.00 C ATOM 983 OG1 THR A 71 -4.951 -18.104 -5.393 1.00 0.00 O ATOM 984 CG2 THR A 71 -5.537 -17.806 -3.069 1.00 0.00 C ATOM 0 H THR A 71 -8.701 -18.331 -5.933 1.00 0.00 H new ATOM 0 HA THR A 71 -6.665 -19.904 -4.646 1.00 0.00 H new ATOM 0 HB THR A 71 -6.481 -16.873 -4.741 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.188 -18.841 -5.994 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.769 -17.038 -2.973 1.00 0.00 H new ATOM 0 HG22 THR A 71 -6.364 -17.578 -2.397 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.114 -18.776 -2.808 1.00 0.00 H new ATOM 992 N LEU A 72 -7.897 -19.567 -2.467 1.00 0.00 N ATOM 993 CA LEU A 72 -8.777 -19.549 -1.303 1.00 0.00 C ATOM 994 C LEU A 72 -8.013 -19.132 -0.050 1.00 0.00 C ATOM 995 O LEU A 72 -7.050 -19.788 0.351 1.00 0.00 O ATOM 996 CB LEU A 72 -9.409 -20.926 -1.094 1.00 0.00 C ATOM 997 CG LEU A 72 -10.287 -21.441 -2.235 1.00 0.00 C ATOM 998 CD1 LEU A 72 -10.552 -22.930 -2.075 1.00 0.00 C ATOM 999 CD2 LEU A 72 -11.596 -20.667 -2.291 1.00 0.00 C ATOM 0 H LEU A 72 -7.107 -20.208 -2.389 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.565 -18.819 -1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.611 -21.648 -0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.010 -20.894 -0.185 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.756 -21.287 -3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.178 -23.278 -2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.606 -23.471 -2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.062 -23.109 -1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.208 -21.047 -3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.132 -20.789 -1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.387 -19.610 -2.455 1.00 0.00 H new ATOM 1011 N THR A 73 -8.450 -18.039 0.568 1.00 0.00 N ATOM 1012 CA THR A 73 -7.808 -17.535 1.776 1.00 0.00 C ATOM 1013 C THR A 73 -8.573 -17.963 3.023 1.00 0.00 C ATOM 1014 O THR A 73 -9.535 -17.310 3.428 1.00 0.00 O ATOM 1015 CB THR A 73 -7.700 -15.999 1.755 1.00 0.00 C ATOM 1016 OG1 THR A 73 -6.926 -15.577 0.627 1.00 0.00 O ATOM 1017 CG2 THR A 73 -7.060 -15.485 3.036 1.00 0.00 C ATOM 0 H THR A 73 -9.246 -17.486 0.252 1.00 0.00 H new ATOM 0 HA THR A 73 -6.805 -17.962 1.804 1.00 0.00 H new ATOM 0 HB THR A 73 -8.706 -15.587 1.679 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.864 -14.599 0.620 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.994 -14.398 2.999 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.667 -15.783 3.891 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.060 -15.906 3.137 1.00 0.00 H new ATOM 1025 N PHE A 74 -8.140 -19.064 3.629 1.00 0.00 N ATOM 1026 CA PHE A 74 -8.784 -19.579 4.831 1.00 0.00 C ATOM 1027 C PHE A 74 -7.836 -19.518 6.025 1.00 0.00 C ATOM 1028 O PHE A 74 -6.622 -19.396 5.862 1.00 0.00 O ATOM 1029 CB PHE A 74 -9.250 -21.019 4.608 1.00 0.00 C ATOM 1030 CG PHE A 74 -8.124 -21.981 4.357 1.00 0.00 C ATOM 1031 CD1 PHE A 74 -7.478 -22.007 3.132 1.00 0.00 C ATOM 1032 CD2 PHE A 74 -7.713 -22.860 5.346 1.00 0.00 C ATOM 1033 CE1 PHE A 74 -6.441 -22.891 2.898 1.00 0.00 C ATOM 1034 CE2 PHE A 74 -6.677 -23.746 5.118 1.00 0.00 C ATOM 1035 CZ PHE A 74 -6.041 -23.762 3.892 1.00 0.00 C ATOM 0 H PHE A 74 -7.345 -19.617 3.307 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.650 -18.953 5.046 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.812 -21.350 5.481 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.934 -21.044 3.760 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.788 -21.329 2.351 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.208 -22.853 6.306 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.944 -22.900 1.939 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.365 -24.425 5.898 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.232 -24.455 3.711 1.00 0.00 H new ATOM 1045 N TYR A 75 -8.400 -19.603 7.225 1.00 0.00 N ATOM 1046 CA TYR A 75 -7.606 -19.555 8.447 1.00 0.00 C ATOM 1047 C TYR A 75 -6.874 -20.874 8.674 1.00 0.00 C ATOM 1048 O TYR A 75 -7.169 -21.881 8.029 1.00 0.00 O ATOM 1049 CB TYR A 75 -8.500 -19.242 9.648 1.00 0.00 C ATOM 1050 CG TYR A 75 -8.802 -17.769 9.811 1.00 0.00 C ATOM 1051 CD1 TYR A 75 -7.894 -16.918 10.430 1.00 0.00 C ATOM 1052 CD2 TYR A 75 -9.995 -17.229 9.346 1.00 0.00 C ATOM 1053 CE1 TYR A 75 -8.166 -15.572 10.581 1.00 0.00 C ATOM 1054 CE2 TYR A 75 -10.274 -15.884 9.492 1.00 0.00 C ATOM 1055 CZ TYR A 75 -9.357 -15.060 10.110 1.00 0.00 C ATOM 1056 OH TYR A 75 -9.632 -13.720 10.258 1.00 0.00 O ATOM 0 H TYR A 75 -9.403 -19.705 7.377 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.865 -18.764 8.337 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -9.438 -19.787 9.544 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.018 -19.608 10.554 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -6.960 -17.316 10.799 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -10.716 -17.872 8.862 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.450 -14.924 11.065 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -11.205 -15.480 9.124 1.00 0.00 H new ATOM 0 HH TYR A 75 -10.511 -13.522 9.872 1.00 0.00 H new ATOM 1066 N LYS A 76 -5.918 -20.861 9.596 1.00 0.00 N ATOM 1067 CA LYS A 76 -5.143 -22.055 9.912 1.00 0.00 C ATOM 1068 C LYS A 76 -5.414 -22.518 11.340 1.00 0.00 C ATOM 1069 O LYS A 76 -5.474 -23.716 11.614 1.00 0.00 O ATOM 1070 CB LYS A 76 -3.648 -21.782 9.728 1.00 0.00 C ATOM 1071 CG LYS A 76 -3.113 -20.691 10.640 1.00 0.00 C ATOM 1072 CD LYS A 76 -2.615 -21.260 11.958 1.00 0.00 C ATOM 1073 CE LYS A 76 -1.208 -21.824 11.825 1.00 0.00 C ATOM 1074 NZ LYS A 76 -0.171 -20.763 11.958 1.00 0.00 N ATOM 0 H LYS A 76 -5.661 -20.036 10.138 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.448 -22.847 9.228 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.094 -22.702 9.912 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.463 -21.501 8.691 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.300 -20.164 10.140 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.897 -19.959 10.832 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.625 -20.480 12.719 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.292 -22.044 12.296 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.048 -22.586 12.588 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.103 -22.315 10.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.774 -21.187 11.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.308 -20.049 11.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.254 -20.311 12.891 1.00 0.00 H new ATOM 1088 N SER A 77 -5.578 -21.559 12.247 1.00 0.00 N ATOM 1089 CA SER A 77 -5.840 -21.869 13.647 1.00 0.00 C ATOM 1090 C SER A 77 -6.328 -20.632 14.395 1.00 0.00 C ATOM 1091 O SER A 77 -6.286 -19.519 13.871 1.00 0.00 O ATOM 1092 CB SER A 77 -4.578 -22.418 14.316 1.00 0.00 C ATOM 1093 OG SER A 77 -3.619 -21.394 14.514 1.00 0.00 O ATOM 0 H SER A 77 -5.534 -20.562 12.037 1.00 0.00 H new ATOM 0 HA SER A 77 -6.622 -22.628 13.685 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.837 -22.868 15.274 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.149 -23.207 13.699 1.00 0.00 H new ATOM 0 HG SER A 77 -2.823 -21.770 14.944 1.00 0.00 H new ATOM 1099 N GLY A 78 -6.792 -20.835 15.624 1.00 0.00 N ATOM 1100 CA GLY A 78 -7.282 -19.728 16.425 1.00 0.00 C ATOM 1101 C GLY A 78 -8.681 -19.971 16.955 1.00 0.00 C ATOM 1102 O GLY A 78 -9.385 -20.866 16.487 1.00 0.00 O ATOM 0 H GLY A 78 -6.837 -21.746 16.080 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.604 -19.561 17.262 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.277 -18.819 15.824 1.00 0.00 H new ATOM 1106 N THR A 79 -9.086 -19.172 17.938 1.00 0.00 N ATOM 1107 CA THR A 79 -10.409 -19.306 18.535 1.00 0.00 C ATOM 1108 C THR A 79 -11.486 -18.736 17.619 1.00 0.00 C ATOM 1109 O THR A 79 -11.476 -17.547 17.298 1.00 0.00 O ATOM 1110 CB THR A 79 -10.484 -18.597 19.900 1.00 0.00 C ATOM 1111 OG1 THR A 79 -9.383 -19.000 20.723 1.00 0.00 O ATOM 1112 CG2 THR A 79 -11.794 -18.915 20.605 1.00 0.00 C ATOM 0 H THR A 79 -8.517 -18.426 18.337 1.00 0.00 H new ATOM 0 HA THR A 79 -10.584 -20.372 18.678 1.00 0.00 H new ATOM 0 HB THR A 79 -10.434 -17.522 19.729 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.437 -18.543 21.588 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.823 -18.403 21.567 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.629 -18.580 19.990 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.870 -19.991 20.764 1.00 0.00 H new ATOM 1120 N PHE A 80 -12.414 -19.590 17.202 1.00 0.00 N ATOM 1121 CA PHE A 80 -13.499 -19.171 16.322 1.00 0.00 C ATOM 1122 C PHE A 80 -14.857 -19.467 16.953 1.00 0.00 C ATOM 1123 O PHE A 80 -15.074 -20.546 17.505 1.00 0.00 O ATOM 1124 CB PHE A 80 -13.389 -19.876 14.969 1.00 0.00 C ATOM 1125 CG PHE A 80 -12.185 -19.461 14.173 1.00 0.00 C ATOM 1126 CD1 PHE A 80 -12.240 -18.361 13.332 1.00 0.00 C ATOM 1127 CD2 PHE A 80 -10.998 -20.169 14.266 1.00 0.00 C ATOM 1128 CE1 PHE A 80 -11.134 -17.976 12.598 1.00 0.00 C ATOM 1129 CE2 PHE A 80 -9.888 -19.789 13.534 1.00 0.00 C ATOM 1130 CZ PHE A 80 -9.956 -18.691 12.700 1.00 0.00 C ATOM 0 H PHE A 80 -12.437 -20.577 17.459 1.00 0.00 H new ATOM 0 HA PHE A 80 -13.415 -18.095 16.171 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.354 -20.953 15.131 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.288 -19.671 14.387 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -13.158 -17.798 13.249 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -10.939 -21.028 14.918 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.190 -17.117 11.945 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -8.969 -20.351 13.615 1.00 0.00 H new ATOM 0 HZ PHE A 80 -9.090 -18.391 12.128 1.00 0.00 H new ATOM 1140 N ARG A 81 -15.765 -18.501 16.868 1.00 0.00 N ATOM 1141 CA ARG A 81 -17.101 -18.656 17.432 1.00 0.00 C ATOM 1142 C ARG A 81 -17.923 -19.650 16.616 1.00 0.00 C ATOM 1143 O ARG A 81 -18.045 -19.518 15.398 1.00 0.00 O ATOM 1144 CB ARG A 81 -17.817 -17.306 17.481 1.00 0.00 C ATOM 1145 CG ARG A 81 -17.587 -16.542 18.775 1.00 0.00 C ATOM 1146 CD ARG A 81 -18.203 -15.152 18.719 1.00 0.00 C ATOM 1147 NE ARG A 81 -17.387 -14.223 17.942 1.00 0.00 N ATOM 1148 CZ ARG A 81 -17.569 -12.907 17.942 1.00 0.00 C ATOM 1149 NH1 ARG A 81 -18.534 -12.369 18.675 1.00 0.00 N ATOM 1150 NH2 ARG A 81 -16.785 -12.127 17.209 1.00 0.00 N ATOM 0 H ARG A 81 -15.600 -17.603 16.414 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.997 -19.042 18.446 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -17.481 -16.695 16.643 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -18.887 -17.467 17.349 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -18.016 -17.098 19.608 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -16.517 -16.459 18.965 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -19.199 -15.214 18.280 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -18.324 -14.768 19.732 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.636 -14.606 17.368 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -19.138 -12.966 19.240 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -18.672 -11.358 18.674 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -16.041 -12.538 16.644 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -16.926 -11.117 17.210 1.00 0.00 H new ATOM 1164 N TYR A 82 -18.483 -20.645 17.296 1.00 0.00 N ATOM 1165 CA TYR A 82 -19.291 -21.662 16.635 1.00 0.00 C ATOM 1166 C TYR A 82 -20.679 -21.125 16.301 1.00 0.00 C ATOM 1167 O TYR A 82 -21.225 -21.405 15.235 1.00 0.00 O ATOM 1168 CB TYR A 82 -19.412 -22.903 17.522 1.00 0.00 C ATOM 1169 CG TYR A 82 -20.631 -23.746 17.221 1.00 0.00 C ATOM 1170 CD1 TYR A 82 -21.891 -23.364 17.665 1.00 0.00 C ATOM 1171 CD2 TYR A 82 -20.522 -24.923 16.491 1.00 0.00 C ATOM 1172 CE1 TYR A 82 -23.007 -24.132 17.393 1.00 0.00 C ATOM 1173 CE2 TYR A 82 -21.633 -25.696 16.213 1.00 0.00 C ATOM 1174 CZ TYR A 82 -22.873 -25.297 16.667 1.00 0.00 C ATOM 1175 OH TYR A 82 -23.982 -26.063 16.393 1.00 0.00 O ATOM 0 H TYR A 82 -18.392 -20.768 18.304 1.00 0.00 H new ATOM 0 HA TYR A 82 -18.794 -21.935 15.704 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -18.518 -23.515 17.400 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -19.445 -22.591 18.566 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -22.000 -22.451 18.232 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -19.553 -25.239 16.135 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -23.979 -23.822 17.747 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -21.531 -26.608 15.643 1.00 0.00 H new ATOM 0 HH TYR A 82 -24.771 -25.486 16.332 1.00 0.00 H new ATOM 1185 N GLU A 83 -21.243 -20.349 17.222 1.00 0.00 N ATOM 1186 CA GLU A 83 -22.568 -19.772 17.026 1.00 0.00 C ATOM 1187 C GLU A 83 -22.596 -18.884 15.785 1.00 0.00 C ATOM 1188 O GLU A 83 -23.661 -18.605 15.233 1.00 0.00 O ATOM 1189 CB GLU A 83 -22.982 -18.961 18.256 1.00 0.00 C ATOM 1190 CG GLU A 83 -22.006 -17.852 18.611 1.00 0.00 C ATOM 1191 CD GLU A 83 -20.920 -18.313 19.563 1.00 0.00 C ATOM 1192 OE1 GLU A 83 -19.892 -18.837 19.084 1.00 0.00 O ATOM 1193 OE2 GLU A 83 -21.097 -18.150 20.789 1.00 0.00 O ATOM 0 H GLU A 83 -20.804 -20.106 18.110 1.00 0.00 H new ATOM 0 HA GLU A 83 -23.275 -20.589 16.883 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -23.965 -18.525 18.079 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -23.080 -19.634 19.108 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -21.547 -17.472 17.699 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -22.552 -17.023 19.062 1.00 0.00 H new ATOM 1200 N ASP A 84 -21.420 -18.444 15.353 1.00 0.00 N ATOM 1201 CA ASP A 84 -21.309 -17.588 14.178 1.00 0.00 C ATOM 1202 C ASP A 84 -20.987 -18.412 12.935 1.00 0.00 C ATOM 1203 O ASP A 84 -21.614 -18.247 11.888 1.00 0.00 O ATOM 1204 CB ASP A 84 -20.230 -16.526 14.394 1.00 0.00 C ATOM 1205 CG ASP A 84 -20.409 -15.325 13.486 1.00 0.00 C ATOM 1206 OD1 ASP A 84 -21.447 -14.641 13.607 1.00 0.00 O ATOM 1207 OD2 ASP A 84 -19.513 -15.070 12.654 1.00 0.00 O ATOM 0 H ASP A 84 -20.530 -18.666 15.799 1.00 0.00 H new ATOM 0 HA ASP A 84 -22.269 -17.094 14.027 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -20.250 -16.198 15.433 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -19.249 -16.968 14.218 1.00 0.00 H new ATOM 1212 N VAL A 85 -20.005 -19.300 13.057 1.00 0.00 N ATOM 1213 CA VAL A 85 -19.600 -20.150 11.943 1.00 0.00 C ATOM 1214 C VAL A 85 -20.800 -20.870 11.337 1.00 0.00 C ATOM 1215 O VAL A 85 -21.590 -21.492 12.049 1.00 0.00 O ATOM 1216 CB VAL A 85 -18.558 -21.194 12.385 1.00 0.00 C ATOM 1217 CG1 VAL A 85 -18.276 -22.176 11.258 1.00 0.00 C ATOM 1218 CG2 VAL A 85 -17.278 -20.509 12.839 1.00 0.00 C ATOM 0 H VAL A 85 -19.475 -19.449 13.916 1.00 0.00 H new ATOM 0 HA VAL A 85 -19.154 -19.498 11.192 1.00 0.00 H new ATOM 0 HB VAL A 85 -18.963 -21.752 13.229 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -17.537 -22.906 11.588 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -19.197 -22.690 10.984 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -17.891 -21.636 10.393 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.552 -21.262 13.148 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -16.867 -19.925 12.016 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -17.496 -19.849 13.679 1.00 0.00 H new ATOM 1228 N LEU A 86 -20.930 -20.783 10.018 1.00 0.00 N ATOM 1229 CA LEU A 86 -22.034 -21.427 9.314 1.00 0.00 C ATOM 1230 C LEU A 86 -21.667 -22.852 8.914 1.00 0.00 C ATOM 1231 O LEU A 86 -21.107 -23.081 7.841 1.00 0.00 O ATOM 1232 CB LEU A 86 -22.414 -20.618 8.073 1.00 0.00 C ATOM 1233 CG LEU A 86 -23.468 -19.528 8.279 1.00 0.00 C ATOM 1234 CD1 LEU A 86 -23.552 -18.629 7.055 1.00 0.00 C ATOM 1235 CD2 LEU A 86 -24.824 -20.148 8.582 1.00 0.00 C ATOM 0 H LEU A 86 -20.285 -20.273 9.414 1.00 0.00 H new ATOM 0 HA LEU A 86 -22.889 -21.468 9.989 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -21.511 -20.153 7.677 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -22.778 -21.308 7.311 1.00 0.00 H new ATOM 0 HG LEU A 86 -23.171 -18.918 9.132 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -24.307 -17.860 7.220 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -22.585 -18.157 6.883 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -23.825 -19.225 6.184 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -25.561 -19.358 8.726 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -25.129 -20.782 7.749 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -24.755 -20.749 9.489 1.00 0.00 H new ATOM 1247 N TRP A 87 -21.987 -23.805 9.781 1.00 0.00 N ATOM 1248 CA TRP A 87 -21.692 -25.209 9.516 1.00 0.00 C ATOM 1249 C TRP A 87 -22.697 -25.800 8.533 1.00 0.00 C ATOM 1250 O TRP A 87 -23.856 -25.389 8.471 1.00 0.00 O ATOM 1251 CB TRP A 87 -21.705 -26.009 10.819 1.00 0.00 C ATOM 1252 CG TRP A 87 -20.930 -25.356 11.924 1.00 0.00 C ATOM 1253 CD1 TRP A 87 -21.338 -24.314 12.707 1.00 0.00 C ATOM 1254 CD2 TRP A 87 -19.613 -25.701 12.367 1.00 0.00 C ATOM 1255 NE1 TRP A 87 -20.354 -23.990 13.609 1.00 0.00 N ATOM 1256 CE2 TRP A 87 -19.286 -24.827 13.422 1.00 0.00 C ATOM 1257 CE3 TRP A 87 -18.679 -26.664 11.976 1.00 0.00 C ATOM 1258 CZ2 TRP A 87 -18.065 -24.888 14.088 1.00 0.00 C ATOM 1259 CZ3 TRP A 87 -17.467 -26.723 12.638 1.00 0.00 C ATOM 1260 CH2 TRP A 87 -17.169 -25.841 13.684 1.00 0.00 C ATOM 0 H TRP A 87 -22.450 -23.632 10.673 1.00 0.00 H new ATOM 0 HA TRP A 87 -20.699 -25.268 9.071 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -22.737 -26.148 11.141 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -21.293 -27.001 10.632 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -22.294 -23.818 12.629 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -20.410 -23.247 14.305 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -18.900 -27.350 11.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -17.833 -24.208 14.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -16.737 -27.462 12.343 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -16.213 -25.914 14.182 1.00 0.00 H new ATOM 1271 N PRO A 88 -22.246 -26.788 7.746 1.00 0.00 N ATOM 1272 CA PRO A 88 -23.091 -27.457 6.752 1.00 0.00 C ATOM 1273 C PRO A 88 -24.165 -28.327 7.396 1.00 0.00 C ATOM 1274 O PRO A 88 -23.926 -28.966 8.420 1.00 0.00 O ATOM 1275 CB PRO A 88 -22.101 -28.321 5.968 1.00 0.00 C ATOM 1276 CG PRO A 88 -20.978 -28.566 6.917 1.00 0.00 C ATOM 1277 CD PRO A 88 -20.877 -27.329 7.766 1.00 0.00 C ATOM 0 HA PRO A 88 -23.636 -26.744 6.134 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -22.559 -29.256 5.647 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -21.755 -27.811 5.069 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -21.170 -29.446 7.531 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.047 -28.749 6.381 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.552 -27.563 8.780 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.158 -26.619 7.357 1.00 0.00 H new ATOM 1285 N GLU A 89 -25.347 -28.348 6.788 1.00 0.00 N ATOM 1286 CA GLU A 89 -26.457 -29.140 7.303 1.00 0.00 C ATOM 1287 C GLU A 89 -26.126 -30.630 7.264 1.00 0.00 C ATOM 1288 O GLU A 89 -26.533 -31.390 8.142 1.00 0.00 O ATOM 1289 CB GLU A 89 -27.727 -28.867 6.495 1.00 0.00 C ATOM 1290 CG GLU A 89 -27.613 -29.260 5.032 1.00 0.00 C ATOM 1291 CD GLU A 89 -28.961 -29.326 4.339 1.00 0.00 C ATOM 1292 OE1 GLU A 89 -29.567 -28.256 4.119 1.00 0.00 O ATOM 1293 OE2 GLU A 89 -29.409 -30.446 4.018 1.00 0.00 O ATOM 0 H GLU A 89 -25.560 -27.826 5.938 1.00 0.00 H new ATOM 0 HA GLU A 89 -26.626 -28.850 8.340 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -28.558 -29.411 6.945 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -27.968 -27.806 6.560 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -26.978 -28.541 4.515 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -27.122 -30.230 4.957 1.00 0.00 H new ATOM 1300 N ALA A 90 -25.386 -31.038 6.238 1.00 0.00 N ATOM 1301 CA ALA A 90 -25.000 -32.435 6.084 1.00 0.00 C ATOM 1302 C ALA A 90 -24.748 -33.088 7.439 1.00 0.00 C ATOM 1303 O ALA A 90 -25.132 -34.235 7.666 1.00 0.00 O ATOM 1304 CB ALA A 90 -23.763 -32.547 5.205 1.00 0.00 C ATOM 0 H ALA A 90 -25.042 -30.421 5.502 1.00 0.00 H new ATOM 0 HA ALA A 90 -25.824 -32.962 5.603 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -23.486 -33.596 5.099 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -23.976 -32.126 4.222 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -22.940 -31.999 5.664 1.00 0.00 H new ATOM 1310 N ALA A 91 -24.101 -32.350 8.335 1.00 0.00 N ATOM 1311 CA ALA A 91 -23.800 -32.858 9.668 1.00 0.00 C ATOM 1312 C ALA A 91 -25.064 -32.962 10.514 1.00 0.00 C ATOM 1313 O ALA A 91 -25.620 -31.951 10.945 1.00 0.00 O ATOM 1314 CB ALA A 91 -22.776 -31.965 10.353 1.00 0.00 C ATOM 0 H ALA A 91 -23.775 -31.399 8.162 1.00 0.00 H new ATOM 0 HA ALA A 91 -23.381 -33.859 9.563 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -22.560 -32.355 11.347 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -21.859 -31.945 9.764 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -23.174 -30.954 10.439 1.00 0.00 H new ATOM 1320 N SER A 92 -25.515 -34.190 10.749 1.00 0.00 N ATOM 1321 CA SER A 92 -26.716 -34.426 11.540 1.00 0.00 C ATOM 1322 C SER A 92 -26.442 -34.202 13.024 1.00 0.00 C ATOM 1323 O SER A 92 -27.242 -33.586 13.729 1.00 0.00 O ATOM 1324 CB SER A 92 -27.231 -35.849 11.314 1.00 0.00 C ATOM 1325 OG SER A 92 -28.584 -35.972 11.716 1.00 0.00 O ATOM 0 H SER A 92 -25.066 -35.038 10.402 1.00 0.00 H new ATOM 0 HA SER A 92 -27.478 -33.716 11.218 1.00 0.00 H new ATOM 0 HB2 SER A 92 -27.136 -36.110 10.260 1.00 0.00 H new ATOM 0 HB3 SER A 92 -26.617 -36.554 11.873 1.00 0.00 H new ATOM 0 HG SER A 92 -28.889 -36.890 11.560 1.00 0.00 H new ATOM 1331 N ASP A 93 -25.306 -34.707 13.492 1.00 0.00 N ATOM 1332 CA ASP A 93 -24.924 -34.562 14.892 1.00 0.00 C ATOM 1333 C ASP A 93 -24.220 -33.229 15.128 1.00 0.00 C ATOM 1334 O ASP A 93 -23.216 -32.924 14.485 1.00 0.00 O ATOM 1335 CB ASP A 93 -24.013 -35.715 15.316 1.00 0.00 C ATOM 1336 CG ASP A 93 -23.673 -35.671 16.793 1.00 0.00 C ATOM 1337 OD1 ASP A 93 -23.941 -34.633 17.432 1.00 0.00 O ATOM 1338 OD2 ASP A 93 -23.137 -36.675 17.309 1.00 0.00 O ATOM 0 H ASP A 93 -24.633 -35.220 12.922 1.00 0.00 H new ATOM 0 HA ASP A 93 -25.832 -34.585 15.495 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -24.500 -36.663 15.086 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -23.093 -35.680 14.733 1.00 0.00 H new ATOM 1343 N GLU A 94 -24.755 -32.439 16.054 1.00 0.00 N ATOM 1344 CA GLU A 94 -24.179 -31.138 16.373 1.00 0.00 C ATOM 1345 C GLU A 94 -22.728 -31.281 16.823 1.00 0.00 C ATOM 1346 O GLU A 94 -21.886 -30.434 16.523 1.00 0.00 O ATOM 1347 CB GLU A 94 -24.998 -30.447 17.465 1.00 0.00 C ATOM 1348 CG GLU A 94 -24.971 -31.175 18.798 1.00 0.00 C ATOM 1349 CD GLU A 94 -25.801 -30.480 19.860 1.00 0.00 C ATOM 1350 OE1 GLU A 94 -27.016 -30.294 19.635 1.00 0.00 O ATOM 1351 OE2 GLU A 94 -25.237 -30.120 20.914 1.00 0.00 O ATOM 0 H GLU A 94 -25.586 -32.677 16.596 1.00 0.00 H new ATOM 0 HA GLU A 94 -24.203 -30.527 15.470 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -24.619 -29.435 17.606 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -26.031 -30.357 17.130 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -25.341 -32.191 18.660 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -23.940 -31.255 19.143 1.00 0.00 H new ATOM 1358 N THR A 95 -22.442 -32.360 17.545 1.00 0.00 N ATOM 1359 CA THR A 95 -21.095 -32.615 18.039 1.00 0.00 C ATOM 1360 C THR A 95 -20.135 -32.907 16.891 1.00 0.00 C ATOM 1361 O THR A 95 -18.955 -32.560 16.951 1.00 0.00 O ATOM 1362 CB THR A 95 -21.072 -33.797 19.026 1.00 0.00 C ATOM 1363 OG1 THR A 95 -21.840 -33.477 20.192 1.00 0.00 O ATOM 1364 CG2 THR A 95 -19.646 -34.137 19.430 1.00 0.00 C ATOM 0 H THR A 95 -23.126 -33.072 17.801 1.00 0.00 H new ATOM 0 HA THR A 95 -20.773 -31.712 18.558 1.00 0.00 H new ATOM 0 HB THR A 95 -21.509 -34.664 18.530 1.00 0.00 H new ATOM 0 HG1 THR A 95 -21.822 -34.234 20.814 1.00 0.00 H new ATOM 0 HG21 THR A 95 -19.655 -34.975 20.127 1.00 0.00 H new ATOM 0 HG22 THR A 95 -19.072 -34.409 18.544 1.00 0.00 H new ATOM 0 HG23 THR A 95 -19.187 -33.272 19.908 1.00 0.00 H new ATOM 1372 N LYS A 96 -20.648 -33.547 15.846 1.00 0.00 N ATOM 1373 CA LYS A 96 -19.837 -33.885 14.682 1.00 0.00 C ATOM 1374 C LYS A 96 -19.183 -32.639 14.094 1.00 0.00 C ATOM 1375 O LYS A 96 -17.987 -32.633 13.800 1.00 0.00 O ATOM 1376 CB LYS A 96 -20.696 -34.572 13.618 1.00 0.00 C ATOM 1377 CG LYS A 96 -19.895 -35.118 12.449 1.00 0.00 C ATOM 1378 CD LYS A 96 -19.421 -36.538 12.712 1.00 0.00 C ATOM 1379 CE LYS A 96 -20.556 -37.540 12.572 1.00 0.00 C ATOM 1380 NZ LYS A 96 -20.081 -38.942 12.729 1.00 0.00 N ATOM 0 H LYS A 96 -21.622 -33.842 15.781 1.00 0.00 H new ATOM 0 HA LYS A 96 -19.052 -34.569 15.004 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -21.249 -35.389 14.082 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -21.432 -33.861 13.243 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -20.507 -35.099 11.547 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -19.035 -34.475 12.264 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -18.623 -36.791 12.014 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -19.000 -36.602 13.715 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -21.320 -37.330 13.320 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -21.025 -37.423 11.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -20.885 -39.594 12.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -19.370 -39.151 11.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -19.656 -39.061 13.671 1.00 0.00 H new ATOM 1394 N LYS A 97 -19.973 -31.584 13.927 1.00 0.00 N ATOM 1395 CA LYS A 97 -19.471 -30.331 13.377 1.00 0.00 C ATOM 1396 C LYS A 97 -18.553 -29.629 14.372 1.00 0.00 C ATOM 1397 O LYS A 97 -17.579 -28.982 13.984 1.00 0.00 O ATOM 1398 CB LYS A 97 -20.635 -29.410 13.004 1.00 0.00 C ATOM 1399 CG LYS A 97 -21.628 -29.197 14.134 1.00 0.00 C ATOM 1400 CD LYS A 97 -22.654 -28.134 13.782 1.00 0.00 C ATOM 1401 CE LYS A 97 -23.853 -28.732 13.063 1.00 0.00 C ATOM 1402 NZ LYS A 97 -23.657 -28.763 11.587 1.00 0.00 N ATOM 0 H LYS A 97 -20.965 -31.572 14.165 1.00 0.00 H new ATOM 0 HA LYS A 97 -18.897 -30.562 12.480 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -20.238 -28.444 12.694 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -21.159 -29.830 12.145 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -22.136 -30.136 14.354 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -21.094 -28.904 15.038 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -22.987 -27.633 14.691 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -22.191 -27.375 13.151 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -24.027 -29.744 13.427 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -24.745 -28.151 13.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -24.244 -29.516 11.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -23.934 -27.847 11.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -22.656 -28.948 11.374 1.00 0.00 H new ATOM 1416 N ARG A 98 -18.868 -29.762 15.656 1.00 0.00 N ATOM 1417 CA ARG A 98 -18.071 -29.140 16.707 1.00 0.00 C ATOM 1418 C ARG A 98 -16.671 -29.745 16.757 1.00 0.00 C ATOM 1419 O ARG A 98 -15.673 -29.025 16.814 1.00 0.00 O ATOM 1420 CB ARG A 98 -18.758 -29.306 18.064 1.00 0.00 C ATOM 1421 CG ARG A 98 -19.994 -28.438 18.230 1.00 0.00 C ATOM 1422 CD ARG A 98 -20.514 -28.477 19.659 1.00 0.00 C ATOM 1423 NE ARG A 98 -19.622 -27.784 20.585 1.00 0.00 N ATOM 1424 CZ ARG A 98 -19.809 -27.752 21.900 1.00 0.00 C ATOM 1425 NH1 ARG A 98 -20.849 -28.371 22.440 1.00 0.00 N ATOM 1426 NH2 ARG A 98 -18.953 -27.100 22.677 1.00 0.00 N ATOM 0 H ARG A 98 -19.669 -30.295 15.994 1.00 0.00 H new ATOM 0 HA ARG A 98 -17.982 -28.078 16.480 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -19.038 -30.351 18.195 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -18.047 -29.065 18.854 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -19.758 -27.410 17.956 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -20.773 -28.779 17.548 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -21.503 -28.020 19.698 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -20.630 -29.514 19.975 1.00 0.00 H new ATOM 0 HE ARG A 98 -18.811 -27.298 20.201 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -21.508 -28.874 21.846 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -20.990 -28.345 23.450 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -18.151 -26.623 22.265 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -19.097 -27.076 23.686 1.00 0.00 H new ATOM 1440 N THR A 99 -16.604 -31.073 16.736 1.00 0.00 N ATOM 1441 CA THR A 99 -15.327 -31.774 16.780 1.00 0.00 C ATOM 1442 C THR A 99 -14.808 -32.060 15.376 1.00 0.00 C ATOM 1443 O THR A 99 -13.851 -32.814 15.199 1.00 0.00 O ATOM 1444 CB THR A 99 -15.442 -33.102 17.553 1.00 0.00 C ATOM 1445 OG1 THR A 99 -16.786 -33.593 17.485 1.00 0.00 O ATOM 1446 CG2 THR A 99 -15.037 -32.918 19.007 1.00 0.00 C ATOM 0 H THR A 99 -17.419 -31.684 16.689 1.00 0.00 H new ATOM 0 HA THR A 99 -14.625 -31.120 17.297 1.00 0.00 H new ATOM 0 HB THR A 99 -14.768 -33.825 17.093 1.00 0.00 H new ATOM 0 HG1 THR A 99 -17.399 -32.920 17.848 1.00 0.00 H new ATOM 0 HG21 THR A 99 -15.126 -33.869 19.533 1.00 0.00 H new ATOM 0 HG22 THR A 99 -14.005 -32.572 19.056 1.00 0.00 H new ATOM 0 HG23 THR A 99 -15.689 -32.181 19.476 1.00 0.00 H new ATOM 1454 N ALA A 100 -15.445 -31.453 14.379 1.00 0.00 N ATOM 1455 CA ALA A 100 -15.044 -31.641 12.990 1.00 0.00 C ATOM 1456 C ALA A 100 -13.578 -31.276 12.787 1.00 0.00 C ATOM 1457 O ALA A 100 -12.953 -31.693 11.812 1.00 0.00 O ATOM 1458 CB ALA A 100 -15.929 -30.813 12.070 1.00 0.00 C ATOM 0 H ALA A 100 -16.240 -30.827 14.508 1.00 0.00 H new ATOM 0 HA ALA A 100 -15.165 -32.695 12.742 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -15.619 -30.962 11.036 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -16.967 -31.125 12.186 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -15.836 -29.758 12.328 1.00 0.00 H new ATOM 1464 N PHE A 101 -13.034 -30.494 13.714 1.00 0.00 N ATOM 1465 CA PHE A 101 -11.640 -30.071 13.636 1.00 0.00 C ATOM 1466 C PHE A 101 -10.740 -31.018 14.423 1.00 0.00 C ATOM 1467 O PHE A 101 -9.672 -30.628 14.894 1.00 0.00 O ATOM 1468 CB PHE A 101 -11.488 -28.644 14.167 1.00 0.00 C ATOM 1469 CG PHE A 101 -11.963 -27.593 13.205 1.00 0.00 C ATOM 1470 CD1 PHE A 101 -11.255 -27.325 12.045 1.00 0.00 C ATOM 1471 CD2 PHE A 101 -13.118 -26.871 13.463 1.00 0.00 C ATOM 1472 CE1 PHE A 101 -11.690 -26.358 11.158 1.00 0.00 C ATOM 1473 CE2 PHE A 101 -13.558 -25.904 12.580 1.00 0.00 C ATOM 1474 CZ PHE A 101 -12.842 -25.646 11.426 1.00 0.00 C ATOM 0 H PHE A 101 -13.537 -30.140 14.528 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.336 -30.096 12.590 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -12.045 -28.550 15.099 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.439 -28.462 14.403 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.352 -27.878 11.831 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -13.680 -27.067 14.364 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -11.129 -26.160 10.256 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -14.461 -25.350 12.791 1.00 0.00 H new ATOM 0 HZ PHE A 101 -13.183 -24.889 10.735 1.00 0.00 H new ATOM 1484 N ALA A 102 -11.179 -32.265 14.562 1.00 0.00 N ATOM 1485 CA ALA A 102 -10.413 -33.268 15.290 1.00 0.00 C ATOM 1486 C ALA A 102 -9.084 -33.554 14.598 1.00 0.00 C ATOM 1487 O ALA A 102 -9.040 -34.231 13.572 1.00 0.00 O ATOM 1488 CB ALA A 102 -11.222 -34.549 15.432 1.00 0.00 C ATOM 0 H ALA A 102 -12.062 -32.604 14.180 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.198 -32.874 16.283 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.638 -35.290 15.978 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.142 -34.340 15.977 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.466 -34.937 14.443 1.00 0.00 H new ATOM 1494 N GLY A 103 -8.002 -33.031 15.167 1.00 0.00 N ATOM 1495 CA GLY A 103 -6.687 -33.240 14.590 1.00 0.00 C ATOM 1496 C GLY A 103 -5.955 -31.939 14.327 1.00 0.00 C ATOM 1497 O GLY A 103 -4.730 -31.919 14.205 1.00 0.00 O ATOM 0 H GLY A 103 -8.013 -32.467 16.017 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.093 -33.858 15.263 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.787 -33.792 13.655 1.00 0.00 H new ATOM 1501 N THR A 104 -6.708 -30.846 14.238 1.00 0.00 N ATOM 1502 CA THR A 104 -6.124 -29.535 13.985 1.00 0.00 C ATOM 1503 C THR A 104 -5.986 -28.736 15.275 1.00 0.00 C ATOM 1504 O THR A 104 -6.561 -29.095 16.303 1.00 0.00 O ATOM 1505 CB THR A 104 -6.971 -28.727 12.983 1.00 0.00 C ATOM 1506 OG1 THR A 104 -8.292 -28.536 13.500 1.00 0.00 O ATOM 1507 CG2 THR A 104 -7.045 -29.438 11.640 1.00 0.00 C ATOM 0 H THR A 104 -7.723 -30.844 14.337 1.00 0.00 H new ATOM 0 HA THR A 104 -5.135 -29.707 13.560 1.00 0.00 H new ATOM 0 HB THR A 104 -6.494 -27.758 12.838 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.649 -29.394 13.810 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.648 -28.849 10.949 1.00 0.00 H new ATOM 0 HG22 THR A 104 -6.040 -29.556 11.235 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.500 -30.420 11.773 1.00 0.00 H new ATOM 1515 N ALA A 105 -5.221 -27.651 15.216 1.00 0.00 N ATOM 1516 CA ALA A 105 -5.010 -26.800 16.380 1.00 0.00 C ATOM 1517 C ALA A 105 -6.104 -25.744 16.493 1.00 0.00 C ATOM 1518 O ALA A 105 -6.022 -24.839 17.324 1.00 0.00 O ATOM 1519 CB ALA A 105 -3.641 -26.139 16.309 1.00 0.00 C ATOM 0 H ALA A 105 -4.737 -27.341 14.374 1.00 0.00 H new ATOM 0 HA ALA A 105 -5.053 -27.427 17.271 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -3.497 -25.506 17.185 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -2.867 -26.906 16.284 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -3.577 -25.530 15.407 1.00 0.00 H new ATOM 1525 N ILE A 106 -7.126 -25.865 15.653 1.00 0.00 N ATOM 1526 CA ILE A 106 -8.237 -24.921 15.661 1.00 0.00 C ATOM 1527 C ILE A 106 -9.129 -25.131 16.879 1.00 0.00 C ATOM 1528 O ILE A 106 -9.507 -26.259 17.198 1.00 0.00 O ATOM 1529 CB ILE A 106 -9.091 -25.046 14.385 1.00 0.00 C ATOM 1530 CG1 ILE A 106 -8.357 -24.431 13.192 1.00 0.00 C ATOM 1531 CG2 ILE A 106 -10.442 -24.377 14.585 1.00 0.00 C ATOM 1532 CD1 ILE A 106 -8.915 -24.860 11.853 1.00 0.00 C ATOM 0 H ILE A 106 -7.208 -26.607 14.958 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.802 -23.922 15.701 1.00 0.00 H new ATOM 0 HB ILE A 106 -9.258 -26.103 14.179 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -8.407 -23.345 13.266 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -7.304 -24.706 13.243 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -11.034 -24.474 13.675 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.966 -24.856 15.412 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -10.295 -23.321 14.812 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -8.346 -24.386 11.053 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -8.841 -25.943 11.758 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -9.961 -24.561 11.782 1.00 0.00 H new ATOM 1544 N SER A 107 -9.465 -24.038 17.556 1.00 0.00 N ATOM 1545 CA SER A 107 -10.312 -24.102 18.741 1.00 0.00 C ATOM 1546 C SER A 107 -11.667 -23.452 18.476 1.00 0.00 C ATOM 1547 O SER A 107 -11.741 -22.314 18.013 1.00 0.00 O ATOM 1548 CB SER A 107 -9.626 -23.414 19.923 1.00 0.00 C ATOM 1549 OG SER A 107 -8.510 -24.164 20.372 1.00 0.00 O ATOM 0 H SER A 107 -9.163 -23.097 17.304 1.00 0.00 H new ATOM 0 HA SER A 107 -10.473 -25.152 18.985 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.303 -22.415 19.629 1.00 0.00 H new ATOM 0 HB3 SER A 107 -10.338 -23.291 20.739 1.00 0.00 H new ATOM 0 HG SER A 107 -8.088 -23.703 21.127 1.00 0.00 H new ATOM 1555 N ILE A 108 -12.735 -24.184 18.774 1.00 0.00 N ATOM 1556 CA ILE A 108 -14.087 -23.680 18.569 1.00 0.00 C ATOM 1557 C ILE A 108 -14.845 -23.588 19.889 1.00 0.00 C ATOM 1558 O ILE A 108 -14.761 -24.484 20.729 1.00 0.00 O ATOM 1559 CB ILE A 108 -14.880 -24.572 17.596 1.00 0.00 C ATOM 1560 CG1 ILE A 108 -16.116 -23.831 17.082 1.00 0.00 C ATOM 1561 CG2 ILE A 108 -15.279 -25.873 18.276 1.00 0.00 C ATOM 1562 CD1 ILE A 108 -15.803 -22.790 16.031 1.00 0.00 C ATOM 0 H ILE A 108 -12.690 -25.128 19.158 1.00 0.00 H new ATOM 0 HA ILE A 108 -13.990 -22.684 18.138 1.00 0.00 H new ATOM 0 HB ILE A 108 -14.243 -24.811 16.744 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -16.817 -24.555 16.667 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -16.616 -23.349 17.922 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -15.839 -26.493 17.576 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -14.384 -26.406 18.596 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -15.901 -25.654 19.144 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -16.726 -22.305 15.713 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -15.126 -22.044 16.448 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -15.331 -23.269 15.173 1.00 0.00 H new ATOM 1574 N VAL A 109 -15.587 -22.499 20.065 1.00 0.00 N ATOM 1575 CA VAL A 109 -16.364 -22.291 21.281 1.00 0.00 C ATOM 1576 C VAL A 109 -17.829 -22.652 21.066 1.00 0.00 C ATOM 1577 O VAL A 109 -18.307 -23.672 21.565 1.00 0.00 O ATOM 1578 CB VAL A 109 -16.272 -20.831 21.762 1.00 0.00 C ATOM 1579 CG1 VAL A 109 -17.155 -20.613 22.981 1.00 0.00 C ATOM 1580 CG2 VAL A 109 -14.828 -20.460 22.067 1.00 0.00 C ATOM 0 H VAL A 109 -15.666 -21.747 19.380 1.00 0.00 H new ATOM 0 HA VAL A 109 -15.940 -22.945 22.043 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.629 -20.181 20.963 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -17.077 -19.576 23.306 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -18.191 -20.836 22.725 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -16.831 -21.271 23.787 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -14.782 -19.425 22.406 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.441 -21.115 22.848 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -14.225 -20.574 21.166 1.00 0.00 H new