USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=26 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 -27:sc= 0.0798 USER MOD Single : A 22 THR OG1 : rot 39:sc= 0.646 USER MOD Single : A 28 SER OG : rot -45:sc= 0.0928 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl -147:sc= -0.186 (180deg=-2.26) USER MOD Single : A 35 THR OG1 : rot -105:sc= 0.135 USER MOD Single : A 38 MET CE :methyl 175:sc= -1.99 (180deg=-2.04) USER MOD Single : A 45 LYS NZ :NH3+ 162:sc= -0.0144 (180deg=-0.143) USER MOD Single : A 52 THR OG1 : rot -75:sc= 1.24 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN :FLIP amide:sc= -2.36 F(o=-3.5!,f=-2.4) USER MOD Single : A 68 THR OG1 : rot -39:sc= 0.544 USER MOD Single : A 69 SER OG : rot -170:sc= 0 USER MOD Single : A 70 THR OG1 : rot -24:sc= 0.278 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.14 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 60:sc= 0.171 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 76:sc= -1.91 USER MOD Single : A 92 SER OG : rot 180:sc= 0.00171 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -141:sc= -0.0938 (180deg=-1.44!) USER MOD Single : A 97 LYS NZ :NH3+ -142:sc= -0.561 (180deg=-2.69!) USER MOD Single : A 99 THR OG1 : rot -81:sc= 1.03 USER MOD Single : A 104 THR OG1 : rot -32:sc= -0.11 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 282 N THR A 20 -3.222 -16.981 8.225 1.00 0.00 N ATOM 283 CA THR A 20 -4.148 -17.574 7.268 1.00 0.00 C ATOM 284 C THR A 20 -3.399 -18.244 6.122 1.00 0.00 C ATOM 285 O THR A 20 -2.353 -17.763 5.686 1.00 0.00 O ATOM 286 CB THR A 20 -5.110 -16.519 6.689 1.00 0.00 C ATOM 287 OG1 THR A 20 -4.366 -15.447 6.101 1.00 0.00 O ATOM 288 CG2 THR A 20 -6.028 -15.973 7.773 1.00 0.00 C ATOM 0 HA THR A 20 -4.725 -18.323 7.810 1.00 0.00 H new ATOM 0 HB THR A 20 -5.721 -16.997 5.924 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.493 -15.375 6.541 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.699 -15.230 7.342 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.614 -16.788 8.198 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.429 -15.510 8.557 1.00 0.00 H new ATOM 296 N ALA A 21 -3.940 -19.357 5.638 1.00 0.00 N ATOM 297 CA ALA A 21 -3.324 -20.092 4.541 1.00 0.00 C ATOM 298 C ALA A 21 -3.962 -19.723 3.206 1.00 0.00 C ATOM 299 O ALA A 21 -5.059 -19.165 3.163 1.00 0.00 O ATOM 300 CB ALA A 21 -3.432 -21.591 4.782 1.00 0.00 C ATOM 0 H ALA A 21 -4.804 -19.769 5.989 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.270 -19.817 4.500 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.968 -22.127 3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.924 -21.848 5.711 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.482 -21.873 4.853 1.00 0.00 H new ATOM 306 N THR A 22 -3.268 -20.037 2.116 1.00 0.00 N ATOM 307 CA THR A 22 -3.766 -19.736 0.780 1.00 0.00 C ATOM 308 C THR A 22 -3.795 -20.987 -0.091 1.00 0.00 C ATOM 309 O THR A 22 -2.751 -21.498 -0.494 1.00 0.00 O ATOM 310 CB THR A 22 -2.905 -18.662 0.088 1.00 0.00 C ATOM 311 OG1 THR A 22 -1.537 -19.082 0.049 1.00 0.00 O ATOM 312 CG2 THR A 22 -3.012 -17.331 0.816 1.00 0.00 C ATOM 0 H THR A 22 -2.359 -20.500 2.133 1.00 0.00 H new ATOM 0 HA THR A 22 -4.781 -19.356 0.899 1.00 0.00 H new ATOM 0 HB THR A 22 -3.274 -18.532 -0.929 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.495 -20.044 -0.131 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.396 -16.588 0.309 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.051 -17.000 0.818 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.667 -17.449 1.843 1.00 0.00 H new ATOM 320 N ALA A 23 -4.997 -21.475 -0.377 1.00 0.00 N ATOM 321 CA ALA A 23 -5.162 -22.665 -1.203 1.00 0.00 C ATOM 322 C ALA A 23 -5.342 -22.295 -2.671 1.00 0.00 C ATOM 323 O ALA A 23 -5.809 -21.207 -3.008 1.00 0.00 O ATOM 324 CB ALA A 23 -6.346 -23.487 -0.714 1.00 0.00 C ATOM 0 H ALA A 23 -5.871 -21.065 -0.049 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.256 -23.265 -1.116 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.457 -24.372 -1.340 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.176 -23.792 0.319 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.254 -22.886 -0.770 1.00 0.00 H new ATOM 330 N PRO A 24 -4.963 -23.219 -3.566 1.00 0.00 N ATOM 331 CA PRO A 24 -5.073 -23.011 -5.013 1.00 0.00 C ATOM 332 C PRO A 24 -6.522 -23.002 -5.489 1.00 0.00 C ATOM 333 O PRO A 24 -6.791 -22.961 -6.688 1.00 0.00 O ATOM 334 CB PRO A 24 -4.324 -24.209 -5.601 1.00 0.00 C ATOM 335 CG PRO A 24 -4.411 -25.263 -4.552 1.00 0.00 C ATOM 336 CD PRO A 24 -4.398 -24.538 -3.235 1.00 0.00 C ATOM 0 HA PRO A 24 -4.668 -22.046 -5.318 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.779 -24.541 -6.534 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.287 -23.957 -5.824 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.322 -25.851 -4.665 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.573 -25.956 -4.624 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.997 -25.055 -2.486 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.388 -24.453 -2.833 1.00 0.00 H new ATOM 344 N GLY A 25 -7.452 -23.041 -4.539 1.00 0.00 N ATOM 345 CA GLY A 25 -8.862 -23.037 -4.882 1.00 0.00 C ATOM 346 C GLY A 25 -9.246 -24.202 -5.772 1.00 0.00 C ATOM 347 O GLY A 25 -8.739 -24.337 -6.884 1.00 0.00 O ATOM 0 H GLY A 25 -7.254 -23.075 -3.539 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.455 -23.071 -3.968 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.107 -22.102 -5.386 1.00 0.00 H new ATOM 351 N GLY A 26 -10.145 -25.050 -5.280 1.00 0.00 N ATOM 352 CA GLY A 26 -10.580 -26.200 -6.050 1.00 0.00 C ATOM 353 C GLY A 26 -12.066 -26.463 -5.910 1.00 0.00 C ATOM 354 O GLY A 26 -12.558 -27.519 -6.312 1.00 0.00 O ATOM 0 H GLY A 26 -10.579 -24.960 -4.362 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.340 -26.041 -7.101 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.026 -27.081 -5.726 1.00 0.00 H new ATOM 358 N LEU A 27 -12.784 -25.503 -5.338 1.00 0.00 N ATOM 359 CA LEU A 27 -14.224 -25.637 -5.144 1.00 0.00 C ATOM 360 C LEU A 27 -14.928 -25.916 -6.468 1.00 0.00 C ATOM 361 O LEU A 27 -14.388 -25.641 -7.539 1.00 0.00 O ATOM 362 CB LEU A 27 -14.793 -24.367 -4.508 1.00 0.00 C ATOM 363 CG LEU A 27 -14.850 -24.349 -2.980 1.00 0.00 C ATOM 364 CD1 LEU A 27 -14.702 -22.929 -2.457 1.00 0.00 C ATOM 365 CD2 LEU A 27 -16.150 -24.968 -2.488 1.00 0.00 C ATOM 0 H LEU A 27 -12.393 -24.623 -5.000 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.399 -26.480 -4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.194 -23.519 -4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.802 -24.213 -4.891 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.020 -24.943 -2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.745 -22.936 -1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.744 -22.520 -2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.510 -22.311 -2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -16.174 -24.947 -1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.994 -24.401 -2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.215 -26.000 -2.832 1.00 0.00 H new ATOM 377 N SER A 28 -16.138 -26.460 -6.385 1.00 0.00 N ATOM 378 CA SER A 28 -16.916 -26.778 -7.577 1.00 0.00 C ATOM 379 C SER A 28 -18.238 -26.016 -7.581 1.00 0.00 C ATOM 380 O SER A 28 -19.103 -26.257 -8.423 1.00 0.00 O ATOM 381 CB SER A 28 -17.181 -28.282 -7.653 1.00 0.00 C ATOM 382 OG SER A 28 -17.503 -28.677 -8.976 1.00 0.00 O ATOM 0 H SER A 28 -16.601 -26.690 -5.505 1.00 0.00 H new ATOM 0 HA SER A 28 -16.338 -26.474 -8.450 1.00 0.00 H new ATOM 0 HB2 SER A 28 -16.301 -28.827 -7.311 1.00 0.00 H new ATOM 0 HB3 SER A 28 -17.999 -28.545 -6.982 1.00 0.00 H new ATOM 0 HG SER A 28 -18.149 -28.046 -9.358 1.00 0.00 H new ATOM 388 N ALA A 29 -18.386 -25.095 -6.634 1.00 0.00 N ATOM 389 CA ALA A 29 -19.601 -24.296 -6.529 1.00 0.00 C ATOM 390 C ALA A 29 -19.438 -23.183 -5.500 1.00 0.00 C ATOM 391 O ALA A 29 -18.453 -23.144 -4.762 1.00 0.00 O ATOM 392 CB ALA A 29 -20.785 -25.181 -6.170 1.00 0.00 C ATOM 0 H ALA A 29 -17.680 -24.884 -5.929 1.00 0.00 H new ATOM 0 HA ALA A 29 -19.788 -23.834 -7.498 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -21.685 -24.571 -6.095 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -20.922 -25.937 -6.943 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -20.597 -25.670 -5.214 1.00 0.00 H new ATOM 398 N LYS A 30 -20.411 -22.279 -5.455 1.00 0.00 N ATOM 399 CA LYS A 30 -20.377 -21.164 -4.515 1.00 0.00 C ATOM 400 C LYS A 30 -20.174 -21.662 -3.088 1.00 0.00 C ATOM 401 O LYS A 30 -20.857 -22.582 -2.639 1.00 0.00 O ATOM 402 CB LYS A 30 -21.672 -20.355 -4.605 1.00 0.00 C ATOM 403 CG LYS A 30 -21.877 -19.683 -5.952 1.00 0.00 C ATOM 404 CD LYS A 30 -23.335 -19.319 -6.177 1.00 0.00 C ATOM 405 CE LYS A 30 -24.107 -20.470 -6.804 1.00 0.00 C ATOM 406 NZ LYS A 30 -25.504 -20.080 -7.144 1.00 0.00 N ATOM 0 H LYS A 30 -21.233 -22.297 -6.059 1.00 0.00 H new ATOM 0 HA LYS A 30 -19.536 -20.523 -4.780 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -22.517 -21.014 -4.405 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -21.670 -19.594 -3.825 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -21.264 -18.784 -6.008 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -21.540 -20.349 -6.747 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -23.794 -19.047 -5.227 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -23.397 -18.443 -6.823 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -23.593 -20.804 -7.706 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -24.123 -21.315 -6.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -25.997 -20.891 -7.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -26.002 -19.786 -6.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -25.489 -19.291 -7.821 1.00 0.00 H new ATOM 420 N ALA A 31 -19.233 -21.047 -2.379 1.00 0.00 N ATOM 421 CA ALA A 31 -18.944 -21.426 -1.001 1.00 0.00 C ATOM 422 C ALA A 31 -18.905 -20.202 -0.092 1.00 0.00 C ATOM 423 O ALA A 31 -18.127 -19.271 -0.298 1.00 0.00 O ATOM 424 CB ALA A 31 -17.626 -22.182 -0.928 1.00 0.00 C ATOM 0 H ALA A 31 -18.658 -20.284 -2.736 1.00 0.00 H new ATOM 0 HA ALA A 31 -19.745 -22.079 -0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -17.422 -22.459 0.106 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -17.689 -23.082 -1.539 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.821 -21.547 -1.299 1.00 0.00 H new ATOM 430 N PRO A 32 -19.765 -20.202 0.937 1.00 0.00 N ATOM 431 CA PRO A 32 -19.848 -19.098 1.898 1.00 0.00 C ATOM 432 C PRO A 32 -18.619 -19.018 2.797 1.00 0.00 C ATOM 433 O PRO A 32 -17.986 -20.032 3.090 1.00 0.00 O ATOM 434 CB PRO A 32 -21.093 -19.438 2.722 1.00 0.00 C ATOM 435 CG PRO A 32 -21.227 -20.918 2.612 1.00 0.00 C ATOM 436 CD PRO A 32 -20.722 -21.279 1.243 1.00 0.00 C ATOM 0 HA PRO A 32 -19.900 -18.129 1.402 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -20.978 -19.127 3.760 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -21.976 -18.930 2.333 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -20.648 -21.421 3.387 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -22.265 -21.226 2.739 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -20.241 -22.257 1.237 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -21.531 -21.317 0.513 1.00 0.00 H new ATOM 444 N ALA A 33 -18.288 -17.807 3.234 1.00 0.00 N ATOM 445 CA ALA A 33 -17.137 -17.596 4.102 1.00 0.00 C ATOM 446 C ALA A 33 -17.472 -17.933 5.551 1.00 0.00 C ATOM 447 O ALA A 33 -18.624 -18.213 5.882 1.00 0.00 O ATOM 448 CB ALA A 33 -16.649 -16.159 3.991 1.00 0.00 C ATOM 0 H ALA A 33 -18.801 -16.957 3.001 1.00 0.00 H new ATOM 0 HA ALA A 33 -16.340 -18.265 3.777 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.789 -16.015 4.645 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.360 -15.951 2.961 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -17.448 -15.479 4.288 1.00 0.00 H new ATOM 454 N MET A 34 -16.459 -17.906 6.410 1.00 0.00 N ATOM 455 CA MET A 34 -16.647 -18.208 7.824 1.00 0.00 C ATOM 456 C MET A 34 -17.173 -19.628 8.011 1.00 0.00 C ATOM 457 O MET A 34 -18.182 -19.844 8.683 1.00 0.00 O ATOM 458 CB MET A 34 -17.615 -17.206 8.457 1.00 0.00 C ATOM 459 CG MET A 34 -16.928 -15.976 9.028 1.00 0.00 C ATOM 460 SD MET A 34 -15.697 -16.387 10.281 1.00 0.00 S ATOM 461 CE MET A 34 -16.693 -17.320 11.441 1.00 0.00 C ATOM 0 H MET A 34 -15.499 -17.678 6.152 1.00 0.00 H new ATOM 0 HA MET A 34 -15.679 -18.130 8.319 1.00 0.00 H new ATOM 0 HB2 MET A 34 -18.341 -16.892 7.708 1.00 0.00 H new ATOM 0 HB3 MET A 34 -18.172 -17.703 9.251 1.00 0.00 H new ATOM 0 HG2 MET A 34 -16.448 -15.425 8.220 1.00 0.00 H new ATOM 0 HG3 MET A 34 -17.678 -15.315 9.463 1.00 0.00 H new ATOM 0 HE1 MET A 34 -16.326 -17.151 12.453 1.00 0.00 H new ATOM 0 HE2 MET A 34 -17.731 -16.996 11.372 1.00 0.00 H new ATOM 0 HE3 MET A 34 -16.628 -18.382 11.204 1.00 0.00 H new ATOM 471 N THR A 35 -16.484 -20.593 7.411 1.00 0.00 N ATOM 472 CA THR A 35 -16.882 -21.992 7.510 1.00 0.00 C ATOM 473 C THR A 35 -15.697 -22.920 7.268 1.00 0.00 C ATOM 474 O THR A 35 -14.758 -22.590 6.544 1.00 0.00 O ATOM 475 CB THR A 35 -17.999 -22.330 6.504 1.00 0.00 C ATOM 476 OG1 THR A 35 -17.478 -22.315 5.171 1.00 0.00 O ATOM 477 CG2 THR A 35 -19.148 -21.340 6.617 1.00 0.00 C ATOM 0 H THR A 35 -15.647 -20.432 6.851 1.00 0.00 H new ATOM 0 HA THR A 35 -17.256 -22.143 8.522 1.00 0.00 H new ATOM 0 HB THR A 35 -18.376 -23.326 6.735 1.00 0.00 H new ATOM 0 HG1 THR A 35 -17.774 -21.501 4.713 1.00 0.00 H new ATOM 0 HG21 THR A 35 -19.924 -21.599 5.897 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.562 -21.376 7.625 1.00 0.00 H new ATOM 0 HG23 THR A 35 -18.783 -20.334 6.410 1.00 0.00 H new ATOM 485 N PRO A 36 -15.740 -24.109 7.887 1.00 0.00 N ATOM 486 CA PRO A 36 -14.678 -25.110 7.753 1.00 0.00 C ATOM 487 C PRO A 36 -14.635 -25.726 6.359 1.00 0.00 C ATOM 488 O PRO A 36 -15.670 -25.907 5.716 1.00 0.00 O ATOM 489 CB PRO A 36 -15.053 -26.167 8.794 1.00 0.00 C ATOM 490 CG PRO A 36 -16.526 -26.028 8.961 1.00 0.00 C ATOM 491 CD PRO A 36 -16.830 -24.569 8.765 1.00 0.00 C ATOM 0 HA PRO A 36 -13.689 -24.677 7.903 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.786 -27.168 8.456 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.530 -25.998 9.735 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -17.060 -26.639 8.233 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.840 -26.362 9.950 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -17.807 -24.420 8.305 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.838 -24.029 9.712 1.00 0.00 H new ATOM 499 N LEU A 37 -13.432 -26.048 5.896 1.00 0.00 N ATOM 500 CA LEU A 37 -13.254 -26.646 4.577 1.00 0.00 C ATOM 501 C LEU A 37 -12.341 -27.865 4.650 1.00 0.00 C ATOM 502 O LEU A 37 -11.616 -28.052 5.627 1.00 0.00 O ATOM 503 CB LEU A 37 -12.674 -25.618 3.604 1.00 0.00 C ATOM 504 CG LEU A 37 -13.096 -24.166 3.830 1.00 0.00 C ATOM 505 CD1 LEU A 37 -12.036 -23.213 3.301 1.00 0.00 C ATOM 506 CD2 LEU A 37 -14.439 -23.892 3.168 1.00 0.00 C ATOM 0 H LEU A 37 -12.565 -25.905 6.414 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.231 -26.968 4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.587 -25.671 3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.959 -25.905 2.592 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.201 -24.001 4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.354 -22.184 3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.094 -23.392 3.820 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.899 -23.379 2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -14.724 -22.854 3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.360 -24.075 2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.196 -24.551 3.594 1.00 0.00 H new ATOM 518 N MET A 38 -12.382 -28.692 3.610 1.00 0.00 N ATOM 519 CA MET A 38 -11.555 -29.892 3.556 1.00 0.00 C ATOM 520 C MET A 38 -10.506 -29.780 2.454 1.00 0.00 C ATOM 521 O MET A 38 -10.780 -29.256 1.373 1.00 0.00 O ATOM 522 CB MET A 38 -12.427 -31.127 3.323 1.00 0.00 C ATOM 523 CG MET A 38 -13.030 -31.191 1.929 1.00 0.00 C ATOM 524 SD MET A 38 -13.573 -32.852 1.482 1.00 0.00 S ATOM 525 CE MET A 38 -15.221 -32.869 2.183 1.00 0.00 C ATOM 0 H MET A 38 -12.978 -28.553 2.794 1.00 0.00 H new ATOM 0 HA MET A 38 -11.042 -29.993 4.512 1.00 0.00 H new ATOM 0 HB2 MET A 38 -11.828 -32.022 3.492 1.00 0.00 H new ATOM 0 HB3 MET A 38 -13.231 -31.138 4.059 1.00 0.00 H new ATOM 0 HG2 MET A 38 -13.878 -30.508 1.873 1.00 0.00 H new ATOM 0 HG3 MET A 38 -12.294 -30.846 1.203 1.00 0.00 H new ATOM 0 HE1 MET A 38 -15.722 -33.799 1.913 1.00 0.00 H new ATOM 0 HE2 MET A 38 -15.155 -32.794 3.268 1.00 0.00 H new ATOM 0 HE3 MET A 38 -15.790 -32.024 1.795 1.00 0.00 H new ATOM 535 N LEU A 39 -9.306 -30.275 2.734 1.00 0.00 N ATOM 536 CA LEU A 39 -8.215 -30.231 1.766 1.00 0.00 C ATOM 537 C LEU A 39 -7.972 -31.607 1.156 1.00 0.00 C ATOM 538 O LEU A 39 -7.698 -32.573 1.869 1.00 0.00 O ATOM 539 CB LEU A 39 -6.936 -29.722 2.433 1.00 0.00 C ATOM 540 CG LEU A 39 -5.923 -29.041 1.511 1.00 0.00 C ATOM 541 CD1 LEU A 39 -4.870 -28.307 2.325 1.00 0.00 C ATOM 542 CD2 LEU A 39 -5.272 -30.061 0.589 1.00 0.00 C ATOM 0 H LEU A 39 -9.063 -30.712 3.623 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.498 -29.546 0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.214 -29.018 3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.445 -30.564 2.921 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.452 -28.311 0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.158 -27.829 1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.351 -27.549 2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.345 -29.016 2.964 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.554 -29.559 -0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.757 -30.814 1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.038 -30.542 -0.020 1.00 0.00 H new ATOM 626 N LYS A 45 -6.046 -29.726 -3.570 1.00 0.00 N ATOM 627 CA LYS A 45 -6.825 -28.494 -3.619 1.00 0.00 C ATOM 628 C LYS A 45 -7.736 -28.378 -2.402 1.00 0.00 C ATOM 629 O LYS A 45 -8.123 -29.383 -1.804 1.00 0.00 O ATOM 630 CB LYS A 45 -7.660 -28.445 -4.901 1.00 0.00 C ATOM 631 CG LYS A 45 -6.827 -28.485 -6.171 1.00 0.00 C ATOM 632 CD LYS A 45 -7.584 -29.143 -7.313 1.00 0.00 C ATOM 633 CE LYS A 45 -8.422 -28.133 -8.080 1.00 0.00 C ATOM 634 NZ LYS A 45 -7.580 -27.233 -8.916 1.00 0.00 N ATOM 0 HA LYS A 45 -6.131 -27.654 -3.613 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.354 -29.285 -4.905 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.261 -27.536 -4.899 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.547 -27.471 -6.456 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.902 -29.031 -5.984 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.878 -29.621 -7.991 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.229 -29.928 -6.919 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.133 -28.660 -8.717 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.004 -27.537 -7.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.172 -26.776 -9.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.146 -26.505 -8.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.833 -27.788 -9.380 1.00 0.00 H new ATOM 648 N LEU A 46 -8.078 -27.146 -2.040 1.00 0.00 N ATOM 649 CA LEU A 46 -8.946 -26.898 -0.894 1.00 0.00 C ATOM 650 C LEU A 46 -10.384 -26.661 -1.341 1.00 0.00 C ATOM 651 O LEU A 46 -10.646 -25.828 -2.209 1.00 0.00 O ATOM 652 CB LEU A 46 -8.442 -25.693 -0.098 1.00 0.00 C ATOM 653 CG LEU A 46 -9.109 -25.456 1.257 1.00 0.00 C ATOM 654 CD1 LEU A 46 -8.623 -26.475 2.276 1.00 0.00 C ATOM 655 CD2 LEU A 46 -8.838 -24.041 1.745 1.00 0.00 C ATOM 0 H LEU A 46 -7.767 -26.303 -2.524 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.924 -27.782 -0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.371 -25.812 0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.575 -24.799 -0.707 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.186 -25.577 1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.108 -26.291 3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.869 -27.480 1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.543 -26.386 2.393 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.321 -23.891 2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.763 -23.892 1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.236 -23.325 1.025 1.00 0.00 H new ATOM 667 N VAL A 47 -11.314 -27.397 -0.742 1.00 0.00 N ATOM 668 CA VAL A 47 -12.727 -27.265 -1.076 1.00 0.00 C ATOM 669 C VAL A 47 -13.591 -27.254 0.180 1.00 0.00 C ATOM 670 O VAL A 47 -13.190 -27.765 1.226 1.00 0.00 O ATOM 671 CB VAL A 47 -13.195 -28.407 -1.998 1.00 0.00 C ATOM 672 CG1 VAL A 47 -12.249 -28.562 -3.179 1.00 0.00 C ATOM 673 CG2 VAL A 47 -13.306 -29.709 -1.219 1.00 0.00 C ATOM 0 H VAL A 47 -11.114 -28.092 -0.022 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.841 -26.316 -1.599 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.183 -28.156 -2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.596 -29.373 -3.819 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.225 -27.634 -3.750 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.247 -28.790 -2.815 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -13.638 -30.505 -1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -12.333 -29.967 -0.802 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -14.027 -29.589 -0.411 1.00 0.00 H new ATOM 683 N ALA A 48 -14.779 -26.670 0.070 1.00 0.00 N ATOM 684 CA ALA A 48 -15.701 -26.595 1.196 1.00 0.00 C ATOM 685 C ALA A 48 -15.900 -27.965 1.835 1.00 0.00 C ATOM 686 O ALA A 48 -15.918 -28.985 1.145 1.00 0.00 O ATOM 687 CB ALA A 48 -17.037 -26.021 0.748 1.00 0.00 C ATOM 0 H ALA A 48 -15.126 -26.242 -0.788 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.267 -25.933 1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -17.715 -25.971 1.600 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -16.886 -25.020 0.345 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -17.468 -26.661 -0.022 1.00 0.00 H new ATOM 693 N TRP A 49 -16.048 -27.982 3.154 1.00 0.00 N ATOM 694 CA TRP A 49 -16.245 -29.228 3.886 1.00 0.00 C ATOM 695 C TRP A 49 -17.570 -29.880 3.505 1.00 0.00 C ATOM 696 O TRP A 49 -18.534 -29.194 3.167 1.00 0.00 O ATOM 697 CB TRP A 49 -16.204 -28.971 5.393 1.00 0.00 C ATOM 698 CG TRP A 49 -16.455 -30.200 6.213 1.00 0.00 C ATOM 699 CD1 TRP A 49 -15.939 -31.447 5.999 1.00 0.00 C ATOM 700 CD2 TRP A 49 -17.285 -30.301 7.375 1.00 0.00 C ATOM 701 NE1 TRP A 49 -16.399 -32.316 6.959 1.00 0.00 N ATOM 702 CE2 TRP A 49 -17.226 -31.638 7.815 1.00 0.00 C ATOM 703 CE3 TRP A 49 -18.071 -29.392 8.088 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -17.924 -32.084 8.934 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -18.763 -29.836 9.198 1.00 0.00 C ATOM 706 CH2 TRP A 49 -18.686 -31.173 9.612 1.00 0.00 C ATOM 0 H TRP A 49 -16.035 -27.147 3.739 1.00 0.00 H new ATOM 0 HA TRP A 49 -15.436 -29.908 3.619 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -15.230 -28.559 5.658 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -16.949 -28.216 5.646 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -15.269 -31.711 5.194 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -16.163 -33.306 7.024 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -18.136 -28.360 7.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -17.866 -33.113 9.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -19.373 -29.142 9.756 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -19.239 -31.490 10.484 1.00 0.00 H new ATOM 717 N ASP A 50 -17.610 -31.206 3.563 1.00 0.00 N ATOM 718 CA ASP A 50 -18.818 -31.950 3.225 1.00 0.00 C ATOM 719 C ASP A 50 -19.880 -31.781 4.306 1.00 0.00 C ATOM 720 O ASP A 50 -21.055 -31.568 4.009 1.00 0.00 O ATOM 721 CB ASP A 50 -18.494 -33.433 3.038 1.00 0.00 C ATOM 722 CG ASP A 50 -19.641 -34.202 2.412 1.00 0.00 C ATOM 723 OD1 ASP A 50 -20.576 -34.577 3.150 1.00 0.00 O ATOM 724 OD2 ASP A 50 -19.603 -34.429 1.184 1.00 0.00 O ATOM 0 H ASP A 50 -16.820 -31.788 3.841 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.211 -31.552 2.290 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -17.609 -33.532 2.410 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -18.250 -33.873 4.005 1.00 0.00 H new ATOM 729 N GLY A 51 -19.459 -31.880 5.563 1.00 0.00 N ATOM 730 CA GLY A 51 -20.387 -31.737 6.670 1.00 0.00 C ATOM 731 C GLY A 51 -20.619 -33.042 7.405 1.00 0.00 C ATOM 732 O GLY A 51 -20.980 -33.046 8.582 1.00 0.00 O ATOM 0 H GLY A 51 -18.492 -32.057 5.835 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.003 -30.994 7.368 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.339 -31.360 6.296 1.00 0.00 H new ATOM 736 N THR A 52 -20.412 -34.156 6.708 1.00 0.00 N ATOM 737 CA THR A 52 -20.604 -35.474 7.300 1.00 0.00 C ATOM 738 C THR A 52 -19.273 -36.086 7.721 1.00 0.00 C ATOM 739 O THR A 52 -19.134 -36.593 8.835 1.00 0.00 O ATOM 740 CB THR A 52 -21.311 -36.431 6.323 1.00 0.00 C ATOM 741 OG1 THR A 52 -20.631 -36.435 5.063 1.00 0.00 O ATOM 742 CG2 THR A 52 -22.762 -36.023 6.120 1.00 0.00 C ATOM 0 H THR A 52 -20.112 -34.171 5.733 1.00 0.00 H new ATOM 0 HA THR A 52 -21.232 -35.337 8.180 1.00 0.00 H new ATOM 0 HB THR A 52 -21.289 -37.433 6.751 1.00 0.00 H new ATOM 0 HG1 THR A 52 -20.842 -35.612 4.575 1.00 0.00 H new ATOM 0 HG21 THR A 52 -23.241 -36.714 5.426 1.00 0.00 H new ATOM 0 HG22 THR A 52 -23.285 -36.049 7.076 1.00 0.00 H new ATOM 0 HG23 THR A 52 -22.802 -35.013 5.712 1.00 0.00 H new ATOM 750 N THR A 53 -18.294 -36.037 6.822 1.00 0.00 N ATOM 751 CA THR A 53 -16.973 -36.588 7.100 1.00 0.00 C ATOM 752 C THR A 53 -16.314 -35.870 8.272 1.00 0.00 C ATOM 753 O THR A 53 -15.817 -34.753 8.128 1.00 0.00 O ATOM 754 CB THR A 53 -16.053 -36.489 5.869 1.00 0.00 C ATOM 755 OG1 THR A 53 -16.617 -37.221 4.775 1.00 0.00 O ATOM 756 CG2 THR A 53 -14.666 -37.028 6.185 1.00 0.00 C ATOM 0 H THR A 53 -18.391 -35.621 5.896 1.00 0.00 H new ATOM 0 HA THR A 53 -17.115 -37.638 7.354 1.00 0.00 H new ATOM 0 HB THR A 53 -15.963 -35.438 5.594 1.00 0.00 H new ATOM 0 HG1 THR A 53 -16.027 -37.151 3.996 1.00 0.00 H new ATOM 0 HG21 THR A 53 -14.034 -36.948 5.300 1.00 0.00 H new ATOM 0 HG22 THR A 53 -14.227 -36.449 6.998 1.00 0.00 H new ATOM 0 HG23 THR A 53 -14.741 -38.074 6.483 1.00 0.00 H new ATOM 764 N ASP A 54 -16.312 -36.519 9.431 1.00 0.00 N ATOM 765 CA ASP A 54 -15.711 -35.943 10.629 1.00 0.00 C ATOM 766 C ASP A 54 -14.188 -35.984 10.546 1.00 0.00 C ATOM 767 O ASP A 54 -13.603 -37.006 10.191 1.00 0.00 O ATOM 768 CB ASP A 54 -16.186 -36.693 11.875 1.00 0.00 C ATOM 769 CG ASP A 54 -15.780 -38.153 11.862 1.00 0.00 C ATOM 770 OD1 ASP A 54 -16.462 -38.952 11.187 1.00 0.00 O ATOM 771 OD2 ASP A 54 -14.781 -38.497 12.528 1.00 0.00 O ATOM 0 H ASP A 54 -16.720 -37.444 9.567 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.026 -34.902 10.699 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.775 -36.213 12.763 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -17.271 -36.621 11.947 1.00 0.00 H new ATOM 776 N GLY A 55 -13.552 -34.864 10.875 1.00 0.00 N ATOM 777 CA GLY A 55 -12.104 -34.792 10.830 1.00 0.00 C ATOM 778 C GLY A 55 -11.589 -34.300 9.492 1.00 0.00 C ATOM 779 O GLY A 55 -10.394 -34.054 9.332 1.00 0.00 O ATOM 0 H GLY A 55 -14.014 -34.005 11.172 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.752 -34.127 11.618 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.688 -35.778 11.036 1.00 0.00 H new ATOM 783 N ALA A 56 -12.492 -34.158 8.528 1.00 0.00 N ATOM 784 CA ALA A 56 -12.123 -33.692 7.197 1.00 0.00 C ATOM 785 C ALA A 56 -11.774 -32.208 7.213 1.00 0.00 C ATOM 786 O ALA A 56 -10.946 -31.747 6.427 1.00 0.00 O ATOM 787 CB ALA A 56 -13.250 -33.961 6.212 1.00 0.00 C ATOM 0 H ALA A 56 -13.485 -34.359 8.644 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.238 -34.243 6.878 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.960 -33.608 5.222 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.450 -35.032 6.171 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.149 -33.436 6.536 1.00 0.00 H new ATOM 793 N ALA A 57 -12.410 -31.465 8.112 1.00 0.00 N ATOM 794 CA ALA A 57 -12.165 -30.032 8.230 1.00 0.00 C ATOM 795 C ALA A 57 -10.694 -29.749 8.515 1.00 0.00 C ATOM 796 O ALA A 57 -10.077 -30.402 9.356 1.00 0.00 O ATOM 797 CB ALA A 57 -13.041 -29.436 9.322 1.00 0.00 C ATOM 0 H ALA A 57 -13.099 -31.831 8.769 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.420 -29.564 7.279 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.848 -28.366 9.400 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.090 -29.599 9.076 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.813 -29.916 10.274 1.00 0.00 H new ATOM 803 N VAL A 58 -10.138 -28.769 7.809 1.00 0.00 N ATOM 804 CA VAL A 58 -8.739 -28.399 7.987 1.00 0.00 C ATOM 805 C VAL A 58 -8.604 -26.928 8.366 1.00 0.00 C ATOM 806 O VAL A 58 -7.735 -26.557 9.153 1.00 0.00 O ATOM 807 CB VAL A 58 -7.921 -28.665 6.709 1.00 0.00 C ATOM 808 CG1 VAL A 58 -8.019 -30.129 6.308 1.00 0.00 C ATOM 809 CG2 VAL A 58 -8.390 -27.762 5.578 1.00 0.00 C ATOM 0 H VAL A 58 -10.635 -28.218 7.109 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.348 -29.017 8.795 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.875 -28.438 6.914 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.435 -30.298 5.403 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.631 -30.753 7.113 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.062 -30.386 6.120 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.801 -27.964 4.683 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.443 -27.955 5.371 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.263 -26.719 5.869 1.00 0.00 H new ATOM 819 N GLY A 59 -9.471 -26.094 7.799 1.00 0.00 N ATOM 820 CA GLY A 59 -9.432 -24.673 8.090 1.00 0.00 C ATOM 821 C GLY A 59 -10.755 -23.988 7.810 1.00 0.00 C ATOM 822 O GLY A 59 -11.654 -24.580 7.212 1.00 0.00 O ATOM 0 H GLY A 59 -10.199 -26.377 7.144 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.165 -24.527 9.137 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.650 -24.204 7.493 1.00 0.00 H new ATOM 826 N ILE A 60 -10.876 -22.738 8.246 1.00 0.00 N ATOM 827 CA ILE A 60 -12.099 -21.973 8.039 1.00 0.00 C ATOM 828 C ILE A 60 -11.880 -20.848 7.034 1.00 0.00 C ATOM 829 O ILE A 60 -10.999 -20.004 7.210 1.00 0.00 O ATOM 830 CB ILE A 60 -12.617 -21.372 9.360 1.00 0.00 C ATOM 831 CG1 ILE A 60 -12.769 -22.467 10.418 1.00 0.00 C ATOM 832 CG2 ILE A 60 -13.941 -20.659 9.133 1.00 0.00 C ATOM 833 CD1 ILE A 60 -12.734 -21.944 11.837 1.00 0.00 C ATOM 0 H ILE A 60 -10.142 -22.234 8.744 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.843 -22.667 7.648 1.00 0.00 H new ATOM 0 HB ILE A 60 -11.891 -20.643 9.721 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.711 -22.990 10.255 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -11.972 -23.199 10.289 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -14.295 -20.240 10.075 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -13.803 -19.857 8.408 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -14.676 -21.369 8.753 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -12.847 -22.775 12.534 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.781 -21.446 12.018 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -13.548 -21.234 11.983 1.00 0.00 H new ATOM 845 N LEU A 61 -12.687 -20.839 5.979 1.00 0.00 N ATOM 846 CA LEU A 61 -12.584 -19.816 4.944 1.00 0.00 C ATOM 847 C LEU A 61 -12.811 -18.426 5.529 1.00 0.00 C ATOM 848 O LEU A 61 -13.829 -18.171 6.172 1.00 0.00 O ATOM 849 CB LEU A 61 -13.597 -20.085 3.830 1.00 0.00 C ATOM 850 CG LEU A 61 -13.179 -19.651 2.424 1.00 0.00 C ATOM 851 CD1 LEU A 61 -14.400 -19.479 1.534 1.00 0.00 C ATOM 852 CD2 LEU A 61 -12.372 -18.363 2.481 1.00 0.00 C ATOM 0 H LEU A 61 -13.421 -21.529 5.818 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.577 -19.855 4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -13.810 -21.154 3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -14.528 -19.579 4.083 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.550 -20.431 1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -14.083 -19.170 0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -14.938 -20.425 1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -15.055 -18.719 1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -12.083 -18.070 1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -12.976 -17.574 2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -11.477 -18.521 3.083 1.00 0.00 H new ATOM 864 N ALA A 62 -11.857 -17.529 5.299 1.00 0.00 N ATOM 865 CA ALA A 62 -11.955 -16.164 5.800 1.00 0.00 C ATOM 866 C ALA A 62 -12.921 -15.339 4.957 1.00 0.00 C ATOM 867 O ALA A 62 -13.800 -14.659 5.488 1.00 0.00 O ATOM 868 CB ALA A 62 -10.581 -15.510 5.823 1.00 0.00 C ATOM 0 H ALA A 62 -11.008 -17.724 4.769 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.343 -16.203 6.818 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.669 -14.491 6.199 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.917 -16.080 6.473 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.171 -15.490 4.813 1.00 0.00 H new ATOM 874 N VAL A 63 -12.753 -15.402 3.640 1.00 0.00 N ATOM 875 CA VAL A 63 -13.611 -14.660 2.723 1.00 0.00 C ATOM 876 C VAL A 63 -14.342 -15.602 1.772 1.00 0.00 C ATOM 877 O VAL A 63 -13.743 -16.516 1.205 1.00 0.00 O ATOM 878 CB VAL A 63 -12.803 -13.641 1.898 1.00 0.00 C ATOM 879 CG1 VAL A 63 -13.697 -12.947 0.882 1.00 0.00 C ATOM 880 CG2 VAL A 63 -12.135 -12.626 2.814 1.00 0.00 C ATOM 0 H VAL A 63 -12.031 -15.959 3.184 1.00 0.00 H new ATOM 0 HA VAL A 63 -14.339 -14.126 3.333 1.00 0.00 H new ATOM 0 HB VAL A 63 -12.024 -14.175 1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -13.108 -12.231 0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -14.124 -13.688 0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -14.500 -12.424 1.401 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -11.568 -11.913 2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.896 -12.095 3.385 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.461 -13.142 3.498 1.00 0.00 H new ATOM 890 N ALA A 64 -15.639 -15.371 1.600 1.00 0.00 N ATOM 891 CA ALA A 64 -16.452 -16.196 0.716 1.00 0.00 C ATOM 892 C ALA A 64 -15.774 -16.382 -0.638 1.00 0.00 C ATOM 893 O ALA A 64 -15.198 -15.444 -1.188 1.00 0.00 O ATOM 894 CB ALA A 64 -17.831 -15.579 0.537 1.00 0.00 C ATOM 0 H ALA A 64 -16.150 -14.618 2.062 1.00 0.00 H new ATOM 0 HA ALA A 64 -16.563 -17.178 1.176 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -18.427 -16.206 -0.126 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.324 -15.504 1.506 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.731 -14.584 0.102 1.00 0.00 H new ATOM 900 N ALA A 65 -15.845 -17.598 -1.168 1.00 0.00 N ATOM 901 CA ALA A 65 -15.239 -17.907 -2.457 1.00 0.00 C ATOM 902 C ALA A 65 -16.147 -18.807 -3.289 1.00 0.00 C ATOM 903 O ALA A 65 -17.208 -19.230 -2.830 1.00 0.00 O ATOM 904 CB ALA A 65 -13.881 -18.562 -2.259 1.00 0.00 C ATOM 0 H ALA A 65 -16.317 -18.386 -0.724 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.102 -16.972 -3.000 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.441 -18.787 -3.230 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -13.226 -17.884 -1.712 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -14.002 -19.485 -1.693 1.00 0.00 H new ATOM 910 N ASP A 66 -15.723 -19.095 -4.515 1.00 0.00 N ATOM 911 CA ASP A 66 -16.498 -19.946 -5.411 1.00 0.00 C ATOM 912 C ASP A 66 -15.580 -20.827 -6.252 1.00 0.00 C ATOM 913 O ASP A 66 -14.357 -20.719 -6.172 1.00 0.00 O ATOM 914 CB ASP A 66 -17.382 -19.092 -6.322 1.00 0.00 C ATOM 915 CG ASP A 66 -16.777 -17.731 -6.606 1.00 0.00 C ATOM 916 OD1 ASP A 66 -15.546 -17.586 -6.452 1.00 0.00 O ATOM 917 OD2 ASP A 66 -17.534 -16.811 -6.981 1.00 0.00 O ATOM 0 H ASP A 66 -14.848 -18.752 -4.911 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.133 -20.590 -4.803 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.544 -19.618 -7.263 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -18.359 -18.962 -5.857 1.00 0.00 H new ATOM 922 N GLN A 67 -16.179 -21.698 -7.058 1.00 0.00 N ATOM 923 CA GLN A 67 -15.414 -22.599 -7.912 1.00 0.00 C ATOM 924 C GLN A 67 -14.492 -21.816 -8.841 1.00 0.00 C ATOM 925 O GLN A 67 -13.477 -22.335 -9.307 1.00 0.00 O ATOM 926 CB GLN A 67 -16.357 -23.479 -8.734 1.00 0.00 C ATOM 927 CG GLN A 67 -17.415 -22.695 -9.493 1.00 0.00 C ATOM 928 CD GLN A 67 -16.892 -22.116 -10.793 1.00 0.00 C ATOM 929 OE1 GLN A 67 -17.125 -20.826 -11.003 1.00 0.00 O flip ATOM 930 NE2 GLN A 67 -16.284 -22.820 -11.599 1.00 0.00 N flip ATOM 0 H GLN A 67 -17.191 -21.799 -7.137 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.801 -23.234 -7.272 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -15.770 -24.062 -9.444 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.850 -24.189 -8.069 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -18.262 -23.347 -9.705 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -17.785 -21.886 -8.862 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -16.127 -23.807 -11.397 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -15.937 -22.416 -12.469 1.00 0.00 H new ATOM 939 N THR A 68 -14.851 -20.564 -9.106 1.00 0.00 N ATOM 940 CA THR A 68 -14.057 -19.710 -9.980 1.00 0.00 C ATOM 941 C THR A 68 -12.880 -19.097 -9.229 1.00 0.00 C ATOM 942 O THR A 68 -12.093 -18.342 -9.800 1.00 0.00 O ATOM 943 CB THR A 68 -14.909 -18.580 -10.587 1.00 0.00 C ATOM 944 OG1 THR A 68 -14.171 -17.906 -11.613 1.00 0.00 O ATOM 945 CG2 THR A 68 -15.326 -17.582 -9.517 1.00 0.00 C ATOM 0 H THR A 68 -15.687 -20.119 -8.728 1.00 0.00 H new ATOM 0 HA THR A 68 -13.681 -20.343 -10.784 1.00 0.00 H new ATOM 0 HB THR A 68 -15.807 -19.024 -11.018 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.235 -17.814 -11.336 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.927 -16.793 -9.970 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.913 -18.092 -8.753 1.00 0.00 H new ATOM 0 HG23 THR A 68 -14.438 -17.145 -9.061 1.00 0.00 H new ATOM 953 N SER A 69 -12.767 -19.426 -7.946 1.00 0.00 N ATOM 954 CA SER A 69 -11.687 -18.905 -7.116 1.00 0.00 C ATOM 955 C SER A 69 -10.386 -19.656 -7.383 1.00 0.00 C ATOM 956 O SER A 69 -10.362 -20.886 -7.425 1.00 0.00 O ATOM 957 CB SER A 69 -12.057 -19.013 -5.635 1.00 0.00 C ATOM 958 OG SER A 69 -11.269 -18.136 -4.848 1.00 0.00 O ATOM 0 H SER A 69 -13.410 -20.051 -7.459 1.00 0.00 H new ATOM 0 HA SER A 69 -11.539 -17.856 -7.371 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.113 -18.777 -5.502 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.915 -20.039 -5.295 1.00 0.00 H new ATOM 0 HG SER A 69 -11.409 -18.333 -3.898 1.00 0.00 H new ATOM 964 N THR A 70 -9.304 -18.905 -7.563 1.00 0.00 N ATOM 965 CA THR A 70 -7.998 -19.497 -7.827 1.00 0.00 C ATOM 966 C THR A 70 -7.114 -19.453 -6.586 1.00 0.00 C ATOM 967 O THR A 70 -6.101 -20.149 -6.507 1.00 0.00 O ATOM 968 CB THR A 70 -7.278 -18.777 -8.982 1.00 0.00 C ATOM 969 OG1 THR A 70 -6.004 -19.386 -9.221 1.00 0.00 O ATOM 970 CG2 THR A 70 -7.089 -17.301 -8.666 1.00 0.00 C ATOM 0 H THR A 70 -9.306 -17.886 -7.531 1.00 0.00 H new ATOM 0 HA THR A 70 -8.173 -20.535 -8.109 1.00 0.00 H new ATOM 0 HB THR A 70 -7.895 -18.865 -9.876 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.703 -19.845 -8.409 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.578 -16.814 -9.496 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.062 -16.834 -8.514 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.491 -17.196 -7.761 1.00 0.00 H new ATOM 978 N THR A 71 -7.503 -18.632 -5.616 1.00 0.00 N ATOM 979 CA THR A 71 -6.745 -18.497 -4.378 1.00 0.00 C ATOM 980 C THR A 71 -7.661 -18.164 -3.206 1.00 0.00 C ATOM 981 O THR A 71 -8.130 -17.032 -3.074 1.00 0.00 O ATOM 982 CB THR A 71 -5.665 -17.406 -4.497 1.00 0.00 C ATOM 983 OG1 THR A 71 -5.003 -17.507 -5.763 1.00 0.00 O ATOM 984 CG2 THR A 71 -4.645 -17.529 -3.375 1.00 0.00 C ATOM 0 H THR A 71 -8.339 -18.050 -5.664 1.00 0.00 H new ATOM 0 HA THR A 71 -6.262 -19.457 -4.197 1.00 0.00 H new ATOM 0 HB THR A 71 -6.152 -16.434 -4.419 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.319 -16.809 -5.831 1.00 0.00 H new ATOM 0 HG21 THR A 71 -3.892 -16.748 -3.480 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.147 -17.422 -2.413 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.164 -18.506 -3.426 1.00 0.00 H new ATOM 992 N LEU A 72 -7.912 -19.154 -2.357 1.00 0.00 N ATOM 993 CA LEU A 72 -8.772 -18.966 -1.194 1.00 0.00 C ATOM 994 C LEU A 72 -7.949 -18.609 0.040 1.00 0.00 C ATOM 995 O LEU A 72 -6.861 -19.147 0.252 1.00 0.00 O ATOM 996 CB LEU A 72 -9.588 -20.232 -0.928 1.00 0.00 C ATOM 997 CG LEU A 72 -10.602 -20.616 -2.006 1.00 0.00 C ATOM 998 CD1 LEU A 72 -9.907 -20.815 -3.345 1.00 0.00 C ATOM 999 CD2 LEU A 72 -11.358 -21.873 -1.604 1.00 0.00 C ATOM 0 H LEU A 72 -7.532 -20.096 -2.452 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.452 -18.141 -1.406 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.897 -21.064 -0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.120 -20.106 0.015 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.320 -19.802 -2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.644 -21.088 -4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.412 -19.890 -3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.167 -21.610 -3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.075 -22.131 -2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.654 -22.695 -1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.887 -21.695 -0.668 1.00 0.00 H new ATOM 1011 N THR A 73 -8.475 -17.699 0.854 1.00 0.00 N ATOM 1012 CA THR A 73 -7.791 -17.271 2.067 1.00 0.00 C ATOM 1013 C THR A 73 -8.523 -17.757 3.312 1.00 0.00 C ATOM 1014 O THR A 73 -9.456 -17.109 3.788 1.00 0.00 O ATOM 1015 CB THR A 73 -7.661 -15.737 2.127 1.00 0.00 C ATOM 1016 OG1 THR A 73 -6.913 -15.264 1.002 1.00 0.00 O ATOM 1017 CG2 THR A 73 -6.978 -15.303 3.415 1.00 0.00 C ATOM 0 H THR A 73 -9.374 -17.244 0.694 1.00 0.00 H new ATOM 0 HA THR A 73 -6.795 -17.712 2.040 1.00 0.00 H new ATOM 0 HB THR A 73 -8.663 -15.308 2.102 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.837 -14.288 1.047 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.897 -14.216 3.436 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.565 -15.639 4.269 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.982 -15.742 3.464 1.00 0.00 H new ATOM 1025 N PHE A 74 -8.095 -18.901 3.836 1.00 0.00 N ATOM 1026 CA PHE A 74 -8.712 -19.474 5.027 1.00 0.00 C ATOM 1027 C PHE A 74 -7.751 -19.430 6.212 1.00 0.00 C ATOM 1028 O PHE A 74 -6.534 -19.356 6.036 1.00 0.00 O ATOM 1029 CB PHE A 74 -9.143 -20.917 4.760 1.00 0.00 C ATOM 1030 CG PHE A 74 -7.999 -21.836 4.443 1.00 0.00 C ATOM 1031 CD1 PHE A 74 -7.442 -21.859 3.174 1.00 0.00 C ATOM 1032 CD2 PHE A 74 -7.479 -22.678 5.413 1.00 0.00 C ATOM 1033 CE1 PHE A 74 -6.388 -22.704 2.879 1.00 0.00 C ATOM 1034 CE2 PHE A 74 -6.425 -23.524 5.124 1.00 0.00 C ATOM 1035 CZ PHE A 74 -5.880 -23.538 3.855 1.00 0.00 C ATOM 0 H PHE A 74 -7.324 -19.449 3.455 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.592 -18.879 5.272 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.672 -21.297 5.634 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.849 -20.929 3.930 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.836 -21.209 2.407 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.902 -22.673 6.407 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.963 -22.712 1.886 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.028 -24.174 5.890 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.058 -24.200 3.627 1.00 0.00 H new ATOM 1045 N TYR A 75 -8.306 -19.475 7.418 1.00 0.00 N ATOM 1046 CA TYR A 75 -7.499 -19.437 8.632 1.00 0.00 C ATOM 1047 C TYR A 75 -6.670 -20.710 8.775 1.00 0.00 C ATOM 1048 O TYR A 75 -6.717 -21.596 7.921 1.00 0.00 O ATOM 1049 CB TYR A 75 -8.395 -19.259 9.859 1.00 0.00 C ATOM 1050 CG TYR A 75 -8.859 -17.835 10.068 1.00 0.00 C ATOM 1051 CD1 TYR A 75 -10.028 -17.371 9.479 1.00 0.00 C ATOM 1052 CD2 TYR A 75 -8.127 -16.954 10.855 1.00 0.00 C ATOM 1053 CE1 TYR A 75 -10.455 -16.070 9.667 1.00 0.00 C ATOM 1054 CE2 TYR A 75 -8.547 -15.652 11.050 1.00 0.00 C ATOM 1055 CZ TYR A 75 -9.711 -15.215 10.453 1.00 0.00 C ATOM 1056 OH TYR A 75 -10.134 -13.920 10.644 1.00 0.00 O ATOM 0 H TYR A 75 -9.311 -19.538 7.581 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.819 -18.588 8.560 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -9.267 -19.905 9.759 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.853 -19.590 10.745 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -10.613 -18.038 8.864 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -7.214 -17.293 11.322 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -11.366 -15.725 9.201 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -7.967 -14.981 11.666 1.00 0.00 H new ATOM 0 HH TYR A 75 -9.498 -13.450 11.224 1.00 0.00 H new ATOM 1066 N LYS A 76 -5.910 -20.794 9.862 1.00 0.00 N ATOM 1067 CA LYS A 76 -5.070 -21.958 10.120 1.00 0.00 C ATOM 1068 C LYS A 76 -5.365 -22.546 11.496 1.00 0.00 C ATOM 1069 O LYS A 76 -5.373 -23.764 11.672 1.00 0.00 O ATOM 1070 CB LYS A 76 -3.591 -21.577 10.023 1.00 0.00 C ATOM 1071 CG LYS A 76 -3.137 -20.619 11.111 1.00 0.00 C ATOM 1072 CD LYS A 76 -2.633 -21.365 12.336 1.00 0.00 C ATOM 1073 CE LYS A 76 -1.168 -21.747 12.191 1.00 0.00 C ATOM 1074 NZ LYS A 76 -0.795 -22.869 13.097 1.00 0.00 N ATOM 0 H LYS A 76 -5.859 -20.070 10.578 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.295 -22.712 9.366 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.987 -22.483 10.073 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.404 -21.123 9.050 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.346 -19.976 10.724 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.965 -19.970 11.394 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.762 -20.742 13.221 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.231 -22.263 12.488 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.968 -22.032 11.158 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.543 -20.881 12.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.211 -23.099 12.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.962 -22.588 14.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.373 -23.704 12.872 1.00 0.00 H new ATOM 1088 N SER A 77 -5.610 -21.673 12.469 1.00 0.00 N ATOM 1089 CA SER A 77 -5.903 -22.107 13.830 1.00 0.00 C ATOM 1090 C SER A 77 -6.425 -20.945 14.669 1.00 0.00 C ATOM 1091 O SER A 77 -6.389 -19.791 14.243 1.00 0.00 O ATOM 1092 CB SER A 77 -4.651 -22.699 14.480 1.00 0.00 C ATOM 1093 OG SER A 77 -4.856 -22.930 15.863 1.00 0.00 O ATOM 0 H SER A 77 -5.611 -20.661 12.340 1.00 0.00 H new ATOM 0 HA SER A 77 -6.676 -22.874 13.783 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.389 -23.635 13.987 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.810 -22.020 14.342 1.00 0.00 H new ATOM 0 HG SER A 77 -5.600 -23.557 15.983 1.00 0.00 H new ATOM 1099 N GLY A 78 -6.910 -21.259 15.867 1.00 0.00 N ATOM 1100 CA GLY A 78 -7.434 -20.232 16.748 1.00 0.00 C ATOM 1101 C GLY A 78 -8.843 -20.533 17.217 1.00 0.00 C ATOM 1102 O GLY A 78 -9.542 -21.354 16.622 1.00 0.00 O ATOM 0 H GLY A 78 -6.949 -22.206 16.243 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.780 -20.133 17.614 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.424 -19.273 16.229 1.00 0.00 H new ATOM 1106 N THR A 79 -9.264 -19.868 18.289 1.00 0.00 N ATOM 1107 CA THR A 79 -10.598 -20.070 18.839 1.00 0.00 C ATOM 1108 C THR A 79 -11.633 -19.235 18.094 1.00 0.00 C ATOM 1109 O THR A 79 -11.596 -18.005 18.132 1.00 0.00 O ATOM 1110 CB THR A 79 -10.648 -19.713 20.337 1.00 0.00 C ATOM 1111 OG1 THR A 79 -9.565 -20.345 21.028 1.00 0.00 O ATOM 1112 CG2 THR A 79 -11.970 -20.145 20.952 1.00 0.00 C ATOM 0 H THR A 79 -8.699 -19.185 18.793 1.00 0.00 H new ATOM 0 HA THR A 79 -10.833 -21.127 18.717 1.00 0.00 H new ATOM 0 HB THR A 79 -10.557 -18.631 20.433 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.603 -20.112 21.979 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.982 -19.883 22.010 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.791 -19.639 20.443 1.00 0.00 H new ATOM 0 HG23 THR A 79 -12.086 -21.223 20.844 1.00 0.00 H new ATOM 1120 N PHE A 80 -12.556 -19.910 17.418 1.00 0.00 N ATOM 1121 CA PHE A 80 -13.602 -19.229 16.663 1.00 0.00 C ATOM 1122 C PHE A 80 -14.967 -19.447 17.309 1.00 0.00 C ATOM 1123 O PHE A 80 -15.203 -20.465 17.960 1.00 0.00 O ATOM 1124 CB PHE A 80 -13.623 -19.728 15.217 1.00 0.00 C ATOM 1125 CG PHE A 80 -12.399 -19.349 14.434 1.00 0.00 C ATOM 1126 CD1 PHE A 80 -12.351 -18.154 13.733 1.00 0.00 C ATOM 1127 CD2 PHE A 80 -11.296 -20.186 14.399 1.00 0.00 C ATOM 1128 CE1 PHE A 80 -11.226 -17.804 13.011 1.00 0.00 C ATOM 1129 CE2 PHE A 80 -10.167 -19.840 13.679 1.00 0.00 C ATOM 1130 CZ PHE A 80 -10.132 -18.647 12.985 1.00 0.00 C ATOM 0 H PHE A 80 -12.601 -20.928 17.377 1.00 0.00 H new ATOM 0 HA PHE A 80 -13.384 -18.161 16.668 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.723 -20.813 15.217 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.504 -19.327 14.716 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -13.202 -17.489 13.751 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.318 -21.120 14.941 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.202 -16.871 12.467 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -9.314 -20.502 13.660 1.00 0.00 H new ATOM 0 HZ PHE A 80 -9.251 -18.373 12.423 1.00 0.00 H new ATOM 1140 N ARG A 81 -15.863 -18.483 17.123 1.00 0.00 N ATOM 1141 CA ARG A 81 -17.205 -18.568 17.687 1.00 0.00 C ATOM 1142 C ARG A 81 -18.072 -19.535 16.887 1.00 0.00 C ATOM 1143 O ARG A 81 -18.402 -19.277 15.729 1.00 0.00 O ATOM 1144 CB ARG A 81 -17.857 -17.185 17.715 1.00 0.00 C ATOM 1145 CG ARG A 81 -17.595 -16.413 18.999 1.00 0.00 C ATOM 1146 CD ARG A 81 -18.385 -16.987 20.164 1.00 0.00 C ATOM 1147 NE ARG A 81 -19.821 -16.761 20.017 1.00 0.00 N ATOM 1148 CZ ARG A 81 -20.418 -15.613 20.318 1.00 0.00 C ATOM 1149 NH1 ARG A 81 -19.708 -14.593 20.780 1.00 0.00 N ATOM 1150 NH2 ARG A 81 -21.729 -15.485 20.157 1.00 0.00 N ATOM 0 H ARG A 81 -15.684 -17.634 16.586 1.00 0.00 H new ATOM 0 HA ARG A 81 -17.120 -18.943 18.707 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -17.490 -16.603 16.870 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -18.933 -17.297 17.582 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.530 -16.441 19.231 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -17.863 -15.366 18.857 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -18.193 -18.057 20.240 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -18.040 -16.534 21.094 1.00 0.00 H new ATOM 0 HE ARG A 81 -20.396 -17.526 19.664 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.700 -14.688 20.905 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -20.170 -13.713 21.010 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -22.278 -16.268 19.802 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -22.188 -14.604 20.388 1.00 0.00 H new ATOM 1164 N TYR A 82 -18.436 -20.649 17.511 1.00 0.00 N ATOM 1165 CA TYR A 82 -19.262 -21.657 16.856 1.00 0.00 C ATOM 1166 C TYR A 82 -20.589 -21.059 16.397 1.00 0.00 C ATOM 1167 O TYR A 82 -21.128 -21.443 15.359 1.00 0.00 O ATOM 1168 CB TYR A 82 -19.520 -22.830 17.804 1.00 0.00 C ATOM 1169 CG TYR A 82 -20.684 -23.701 17.387 1.00 0.00 C ATOM 1170 CD1 TYR A 82 -21.988 -23.225 17.442 1.00 0.00 C ATOM 1171 CD2 TYR A 82 -20.478 -24.999 16.937 1.00 0.00 C ATOM 1172 CE1 TYR A 82 -23.054 -24.018 17.063 1.00 0.00 C ATOM 1173 CE2 TYR A 82 -21.538 -25.799 16.554 1.00 0.00 C ATOM 1174 CZ TYR A 82 -22.824 -25.303 16.620 1.00 0.00 C ATOM 1175 OH TYR A 82 -23.883 -26.095 16.240 1.00 0.00 O ATOM 0 H TYR A 82 -18.172 -20.877 18.470 1.00 0.00 H new ATOM 0 HA TYR A 82 -18.724 -22.018 15.980 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -18.621 -23.443 17.863 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -19.707 -22.443 18.805 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -22.172 -22.218 17.787 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -19.472 -25.390 16.886 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -24.062 -23.633 17.114 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -21.361 -26.806 16.205 1.00 0.00 H new ATOM 0 HH TYR A 82 -24.202 -25.813 15.357 1.00 0.00 H new ATOM 1185 N GLU A 83 -21.108 -20.117 17.177 1.00 0.00 N ATOM 1186 CA GLU A 83 -22.371 -19.465 16.851 1.00 0.00 C ATOM 1187 C GLU A 83 -22.200 -18.504 15.678 1.00 0.00 C ATOM 1188 O GLU A 83 -23.179 -17.989 15.137 1.00 0.00 O ATOM 1189 CB GLU A 83 -22.912 -18.712 18.068 1.00 0.00 C ATOM 1190 CG GLU A 83 -22.561 -19.367 19.394 1.00 0.00 C ATOM 1191 CD GLU A 83 -23.605 -19.114 20.464 1.00 0.00 C ATOM 1192 OE1 GLU A 83 -24.143 -17.988 20.513 1.00 0.00 O ATOM 1193 OE2 GLU A 83 -23.885 -20.042 21.251 1.00 0.00 O ATOM 0 H GLU A 83 -20.674 -19.788 18.039 1.00 0.00 H new ATOM 0 HA GLU A 83 -23.085 -20.237 16.565 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -22.520 -17.695 18.060 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -23.996 -18.636 17.985 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -22.451 -20.441 19.246 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -21.597 -18.991 19.736 1.00 0.00 H new ATOM 1200 N ASP A 84 -20.952 -18.266 15.293 1.00 0.00 N ATOM 1201 CA ASP A 84 -20.651 -17.367 14.185 1.00 0.00 C ATOM 1202 C ASP A 84 -20.389 -18.152 12.903 1.00 0.00 C ATOM 1203 O ASP A 84 -20.955 -17.851 11.852 1.00 0.00 O ATOM 1204 CB ASP A 84 -19.440 -16.496 14.521 1.00 0.00 C ATOM 1205 CG ASP A 84 -19.415 -15.207 13.723 1.00 0.00 C ATOM 1206 OD1 ASP A 84 -19.235 -15.275 12.489 1.00 0.00 O ATOM 1207 OD2 ASP A 84 -19.576 -14.129 14.333 1.00 0.00 O ATOM 0 H ASP A 84 -20.131 -18.683 15.732 1.00 0.00 H new ATOM 0 HA ASP A 84 -21.517 -16.725 14.026 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -19.449 -16.261 15.585 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -18.527 -17.058 14.327 1.00 0.00 H new ATOM 1212 N VAL A 85 -19.527 -19.159 12.998 1.00 0.00 N ATOM 1213 CA VAL A 85 -19.190 -19.988 11.847 1.00 0.00 C ATOM 1214 C VAL A 85 -20.437 -20.624 11.243 1.00 0.00 C ATOM 1215 O VAL A 85 -21.307 -21.116 11.963 1.00 0.00 O ATOM 1216 CB VAL A 85 -18.193 -21.099 12.228 1.00 0.00 C ATOM 1217 CG1 VAL A 85 -18.444 -21.576 13.650 1.00 0.00 C ATOM 1218 CG2 VAL A 85 -18.285 -22.256 11.244 1.00 0.00 C ATOM 0 H VAL A 85 -19.049 -19.421 13.860 1.00 0.00 H new ATOM 0 HA VAL A 85 -18.727 -19.332 11.110 1.00 0.00 H new ATOM 0 HB VAL A 85 -17.183 -20.691 12.180 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -17.731 -22.361 13.902 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -18.324 -20.741 14.340 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -19.458 -21.969 13.728 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -17.574 -23.032 11.528 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -19.295 -22.666 11.258 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -18.052 -21.900 10.241 1.00 0.00 H new ATOM 1228 N LEU A 86 -20.518 -20.610 9.917 1.00 0.00 N ATOM 1229 CA LEU A 86 -21.660 -21.186 9.215 1.00 0.00 C ATOM 1230 C LEU A 86 -21.356 -22.609 8.756 1.00 0.00 C ATOM 1231 O LEU A 86 -21.030 -22.839 7.592 1.00 0.00 O ATOM 1232 CB LEU A 86 -22.034 -20.319 8.012 1.00 0.00 C ATOM 1233 CG LEU A 86 -23.442 -20.521 7.450 1.00 0.00 C ATOM 1234 CD1 LEU A 86 -23.464 -21.684 6.471 1.00 0.00 C ATOM 1235 CD2 LEU A 86 -24.437 -20.751 8.578 1.00 0.00 C ATOM 0 H LEU A 86 -19.807 -20.207 9.307 1.00 0.00 H new ATOM 0 HA LEU A 86 -22.502 -21.219 9.907 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -21.925 -19.272 8.296 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -21.316 -20.510 7.215 1.00 0.00 H new ATOM 0 HG LEU A 86 -23.733 -19.617 6.914 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -24.474 -21.813 6.082 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -22.781 -21.479 5.647 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -23.153 -22.595 6.982 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -25.434 -20.893 8.161 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -24.150 -21.639 9.141 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -24.441 -19.886 9.241 1.00 0.00 H new ATOM 1247 N TRP A 87 -21.465 -23.558 9.678 1.00 0.00 N ATOM 1248 CA TRP A 87 -21.204 -24.959 9.367 1.00 0.00 C ATOM 1249 C TRP A 87 -22.185 -25.477 8.321 1.00 0.00 C ATOM 1250 O TRP A 87 -23.310 -24.992 8.198 1.00 0.00 O ATOM 1251 CB TRP A 87 -21.295 -25.810 10.635 1.00 0.00 C ATOM 1252 CG TRP A 87 -20.490 -25.264 11.776 1.00 0.00 C ATOM 1253 CD1 TRP A 87 -20.835 -24.234 12.603 1.00 0.00 C ATOM 1254 CD2 TRP A 87 -19.205 -25.719 12.213 1.00 0.00 C ATOM 1255 NE1 TRP A 87 -19.842 -24.021 13.528 1.00 0.00 N ATOM 1256 CE2 TRP A 87 -18.831 -24.919 13.311 1.00 0.00 C ATOM 1257 CE3 TRP A 87 -18.335 -26.725 11.785 1.00 0.00 C ATOM 1258 CZ2 TRP A 87 -17.625 -25.096 13.983 1.00 0.00 C ATOM 1259 CZ3 TRP A 87 -17.138 -26.898 12.453 1.00 0.00 C ATOM 1260 CH2 TRP A 87 -16.792 -26.088 13.543 1.00 0.00 C ATOM 0 H TRP A 87 -21.732 -23.384 10.647 1.00 0.00 H new ATOM 0 HA TRP A 87 -20.196 -25.033 8.960 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -22.339 -25.885 10.939 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -20.955 -26.821 10.411 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -21.754 -23.670 12.539 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -19.855 -23.309 14.258 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -18.593 -27.356 10.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -17.356 -24.472 14.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -16.457 -27.671 12.129 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -15.850 -26.250 14.045 1.00 0.00 H new ATOM 1271 N PRO A 88 -21.752 -26.485 7.550 1.00 0.00 N ATOM 1272 CA PRO A 88 -22.578 -27.090 6.501 1.00 0.00 C ATOM 1273 C PRO A 88 -23.740 -27.896 7.072 1.00 0.00 C ATOM 1274 O PRO A 88 -23.582 -28.615 8.058 1.00 0.00 O ATOM 1275 CB PRO A 88 -21.600 -28.009 5.765 1.00 0.00 C ATOM 1276 CG PRO A 88 -20.552 -28.332 6.774 1.00 0.00 C ATOM 1277 CD PRO A 88 -20.422 -27.111 7.642 1.00 0.00 C ATOM 0 HA PRO A 88 -23.040 -26.338 5.861 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -22.097 -28.911 5.408 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -21.171 -27.514 4.893 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -20.835 -29.203 7.365 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -19.605 -28.569 6.290 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.171 -27.373 8.670 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -19.638 -26.444 7.283 1.00 0.00 H new ATOM 1285 N GLU A 89 -24.905 -27.771 6.444 1.00 0.00 N ATOM 1286 CA GLU A 89 -26.093 -28.489 6.891 1.00 0.00 C ATOM 1287 C GLU A 89 -25.813 -29.985 7.008 1.00 0.00 C ATOM 1288 O GLU A 89 -26.277 -30.643 7.939 1.00 0.00 O ATOM 1289 CB GLU A 89 -27.254 -28.251 5.924 1.00 0.00 C ATOM 1290 CG GLU A 89 -26.990 -28.764 4.518 1.00 0.00 C ATOM 1291 CD GLU A 89 -28.197 -28.625 3.610 1.00 0.00 C ATOM 1292 OE1 GLU A 89 -28.804 -27.533 3.593 1.00 0.00 O ATOM 1293 OE2 GLU A 89 -28.535 -29.607 2.917 1.00 0.00 O ATOM 0 H GLU A 89 -25.051 -27.180 5.625 1.00 0.00 H new ATOM 0 HA GLU A 89 -26.366 -28.110 7.876 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -28.148 -28.736 6.317 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -27.465 -27.183 5.878 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -26.151 -28.217 4.087 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -26.696 -29.812 4.567 1.00 0.00 H new ATOM 1300 N ALA A 90 -25.052 -30.515 6.056 1.00 0.00 N ATOM 1301 CA ALA A 90 -24.709 -31.931 6.053 1.00 0.00 C ATOM 1302 C ALA A 90 -24.556 -32.463 7.474 1.00 0.00 C ATOM 1303 O ALA A 90 -24.914 -33.604 7.761 1.00 0.00 O ATOM 1304 CB ALA A 90 -23.430 -32.162 5.260 1.00 0.00 C ATOM 0 H ALA A 90 -24.662 -29.985 5.277 1.00 0.00 H new ATOM 0 HA ALA A 90 -25.524 -32.476 5.576 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -23.185 -33.224 5.266 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -23.574 -31.828 4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -22.614 -31.599 5.713 1.00 0.00 H new ATOM 1310 N ALA A 91 -24.021 -31.628 8.359 1.00 0.00 N ATOM 1311 CA ALA A 91 -23.822 -32.013 9.750 1.00 0.00 C ATOM 1312 C ALA A 91 -25.131 -31.949 10.530 1.00 0.00 C ATOM 1313 O ALA A 91 -25.644 -30.866 10.812 1.00 0.00 O ATOM 1314 CB ALA A 91 -22.774 -31.123 10.400 1.00 0.00 C ATOM 0 H ALA A 91 -23.718 -30.680 8.137 1.00 0.00 H new ATOM 0 HA ALA A 91 -23.468 -33.044 9.768 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -22.636 -31.422 11.439 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -21.830 -31.223 9.865 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -23.104 -30.085 10.362 1.00 0.00 H new ATOM 1320 N SER A 92 -25.667 -33.116 10.875 1.00 0.00 N ATOM 1321 CA SER A 92 -26.919 -33.191 11.619 1.00 0.00 C ATOM 1322 C SER A 92 -26.693 -32.883 13.096 1.00 0.00 C ATOM 1323 O SER A 92 -27.498 -32.198 13.728 1.00 0.00 O ATOM 1324 CB SER A 92 -27.544 -34.579 11.466 1.00 0.00 C ATOM 1325 OG SER A 92 -26.615 -35.597 11.796 1.00 0.00 O ATOM 0 H SER A 92 -25.254 -34.021 10.651 1.00 0.00 H new ATOM 0 HA SER A 92 -27.601 -32.445 11.211 1.00 0.00 H new ATOM 0 HB2 SER A 92 -28.420 -34.660 12.110 1.00 0.00 H new ATOM 0 HB3 SER A 92 -27.888 -34.715 10.441 1.00 0.00 H new ATOM 0 HG SER A 92 -27.040 -36.474 11.692 1.00 0.00 H new ATOM 1331 N ASP A 93 -25.593 -33.393 13.638 1.00 0.00 N ATOM 1332 CA ASP A 93 -25.259 -33.172 15.041 1.00 0.00 C ATOM 1333 C ASP A 93 -24.383 -31.934 15.202 1.00 0.00 C ATOM 1334 O ASP A 93 -23.382 -31.776 14.505 1.00 0.00 O ATOM 1335 CB ASP A 93 -24.545 -34.396 15.616 1.00 0.00 C ATOM 1336 CG ASP A 93 -24.169 -34.215 17.073 1.00 0.00 C ATOM 1337 OD1 ASP A 93 -24.850 -33.433 17.769 1.00 0.00 O ATOM 1338 OD2 ASP A 93 -23.192 -34.854 17.518 1.00 0.00 O ATOM 0 H ASP A 93 -24.917 -33.962 13.128 1.00 0.00 H new ATOM 0 HA ASP A 93 -26.187 -33.012 15.589 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -25.189 -35.269 15.516 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -23.645 -34.595 15.034 1.00 0.00 H new ATOM 1343 N GLU A 94 -24.769 -31.058 16.125 1.00 0.00 N ATOM 1344 CA GLU A 94 -24.019 -29.833 16.375 1.00 0.00 C ATOM 1345 C GLU A 94 -22.699 -30.137 17.079 1.00 0.00 C ATOM 1346 O GLU A 94 -21.787 -29.310 17.098 1.00 0.00 O ATOM 1347 CB GLU A 94 -24.849 -28.864 17.221 1.00 0.00 C ATOM 1348 CG GLU A 94 -25.289 -29.444 18.555 1.00 0.00 C ATOM 1349 CD GLU A 94 -26.039 -28.440 19.408 1.00 0.00 C ATOM 1350 OE1 GLU A 94 -27.147 -28.030 19.004 1.00 0.00 O ATOM 1351 OE2 GLU A 94 -25.519 -28.065 20.479 1.00 0.00 O ATOM 0 H GLU A 94 -25.596 -31.174 16.711 1.00 0.00 H new ATOM 0 HA GLU A 94 -23.800 -29.369 15.413 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -24.266 -27.961 17.402 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -25.732 -28.565 16.655 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -25.925 -30.312 18.378 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -24.413 -29.796 19.100 1.00 0.00 H new ATOM 1358 N THR A 95 -22.605 -31.330 17.657 1.00 0.00 N ATOM 1359 CA THR A 95 -21.399 -31.744 18.364 1.00 0.00 C ATOM 1360 C THR A 95 -20.392 -32.374 17.409 1.00 0.00 C ATOM 1361 O THR A 95 -19.199 -32.441 17.704 1.00 0.00 O ATOM 1362 CB THR A 95 -21.723 -32.748 19.486 1.00 0.00 C ATOM 1363 OG1 THR A 95 -22.674 -32.180 20.393 1.00 0.00 O ATOM 1364 CG2 THR A 95 -20.462 -33.136 20.244 1.00 0.00 C ATOM 0 H THR A 95 -23.350 -32.027 17.650 1.00 0.00 H new ATOM 0 HA THR A 95 -20.966 -30.846 18.804 1.00 0.00 H new ATOM 0 HB THR A 95 -22.146 -33.644 19.031 1.00 0.00 H new ATOM 0 HG1 THR A 95 -22.876 -32.826 21.102 1.00 0.00 H new ATOM 0 HG21 THR A 95 -20.715 -33.846 21.032 1.00 0.00 H new ATOM 0 HG22 THR A 95 -19.751 -33.595 19.557 1.00 0.00 H new ATOM 0 HG23 THR A 95 -20.016 -32.246 20.687 1.00 0.00 H new ATOM 1372 N LYS A 96 -20.879 -32.836 16.262 1.00 0.00 N ATOM 1373 CA LYS A 96 -20.022 -33.459 15.261 1.00 0.00 C ATOM 1374 C LYS A 96 -19.321 -32.404 14.411 1.00 0.00 C ATOM 1375 O LYS A 96 -18.173 -32.582 14.003 1.00 0.00 O ATOM 1376 CB LYS A 96 -20.842 -34.390 14.365 1.00 0.00 C ATOM 1377 CG LYS A 96 -20.866 -35.831 14.844 1.00 0.00 C ATOM 1378 CD LYS A 96 -21.853 -36.667 14.047 1.00 0.00 C ATOM 1379 CE LYS A 96 -21.231 -37.188 12.761 1.00 0.00 C ATOM 1380 NZ LYS A 96 -21.282 -36.176 11.670 1.00 0.00 N ATOM 0 H LYS A 96 -21.864 -32.790 16.003 1.00 0.00 H new ATOM 0 HA LYS A 96 -19.263 -34.043 15.782 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -21.865 -34.018 14.308 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -20.435 -34.359 13.354 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -19.869 -36.261 14.756 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -21.133 -35.860 15.900 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -22.194 -37.506 14.654 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -22.732 -36.067 13.810 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -20.195 -37.469 12.947 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -21.754 -38.090 12.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -21.497 -36.648 10.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -22.023 -35.477 11.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -20.362 -35.696 11.599 1.00 0.00 H new ATOM 1394 N LYS A 97 -20.019 -31.304 14.148 1.00 0.00 N ATOM 1395 CA LYS A 97 -19.464 -30.218 13.349 1.00 0.00 C ATOM 1396 C LYS A 97 -18.352 -29.499 14.105 1.00 0.00 C ATOM 1397 O LYS A 97 -17.300 -29.196 13.541 1.00 0.00 O ATOM 1398 CB LYS A 97 -20.563 -29.223 12.970 1.00 0.00 C ATOM 1399 CG LYS A 97 -21.389 -28.749 14.154 1.00 0.00 C ATOM 1400 CD LYS A 97 -22.373 -27.665 13.749 1.00 0.00 C ATOM 1401 CE LYS A 97 -23.550 -28.241 12.976 1.00 0.00 C ATOM 1402 NZ LYS A 97 -24.107 -27.261 12.002 1.00 0.00 N ATOM 0 H LYS A 97 -20.971 -31.141 14.477 1.00 0.00 H new ATOM 0 HA LYS A 97 -19.042 -30.648 12.441 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -20.108 -28.359 12.486 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -21.225 -29.687 12.238 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -21.931 -29.592 14.582 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -20.727 -28.368 14.932 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -22.737 -27.152 14.639 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -21.864 -26.920 13.137 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -23.232 -29.139 12.446 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -24.331 -28.543 13.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -25.143 -27.346 11.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -23.846 -26.297 12.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -23.722 -27.455 11.056 1.00 0.00 H new ATOM 1416 N ARG A 98 -18.590 -29.231 15.385 1.00 0.00 N ATOM 1417 CA ARG A 98 -17.608 -28.549 16.219 1.00 0.00 C ATOM 1418 C ARG A 98 -16.303 -29.338 16.278 1.00 0.00 C ATOM 1419 O ARG A 98 -15.214 -28.765 16.226 1.00 0.00 O ATOM 1420 CB ARG A 98 -18.159 -28.346 17.631 1.00 0.00 C ATOM 1421 CG ARG A 98 -18.764 -29.603 18.235 1.00 0.00 C ATOM 1422 CD ARG A 98 -19.132 -29.397 19.696 1.00 0.00 C ATOM 1423 NE ARG A 98 -20.438 -28.762 19.848 1.00 0.00 N ATOM 1424 CZ ARG A 98 -20.628 -27.449 19.791 1.00 0.00 C ATOM 1425 NH1 ARG A 98 -19.601 -26.635 19.587 1.00 0.00 N ATOM 1426 NH2 ARG A 98 -21.847 -26.946 19.939 1.00 0.00 N ATOM 0 H ARG A 98 -19.455 -29.476 15.867 1.00 0.00 H new ATOM 0 HA ARG A 98 -17.404 -27.575 15.774 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -17.356 -27.992 18.278 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -18.917 -27.563 17.607 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -19.653 -29.888 17.671 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -18.055 -30.427 18.150 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -19.135 -30.359 20.208 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -18.372 -28.782 20.178 1.00 0.00 H new ATOM 0 HE ARG A 98 -21.249 -29.360 20.007 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -18.662 -27.017 19.473 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -19.750 -25.627 19.544 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -22.640 -27.568 20.097 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -21.991 -25.937 19.895 1.00 0.00 H new ATOM 1440 N THR A 99 -16.420 -30.658 16.389 1.00 0.00 N ATOM 1441 CA THR A 99 -15.251 -31.525 16.458 1.00 0.00 C ATOM 1442 C THR A 99 -14.725 -31.850 15.065 1.00 0.00 C ATOM 1443 O THR A 99 -13.789 -32.634 14.912 1.00 0.00 O ATOM 1444 CB THR A 99 -15.571 -32.841 17.193 1.00 0.00 C ATOM 1445 OG1 THR A 99 -16.960 -33.156 17.053 1.00 0.00 O ATOM 1446 CG2 THR A 99 -15.216 -32.736 18.669 1.00 0.00 C ATOM 0 H THR A 99 -17.313 -31.149 16.433 1.00 0.00 H new ATOM 0 HA THR A 99 -14.487 -30.982 17.015 1.00 0.00 H new ATOM 0 HB THR A 99 -14.973 -33.635 16.747 1.00 0.00 H new ATOM 0 HG1 THR A 99 -17.479 -32.645 17.709 1.00 0.00 H new ATOM 0 HG21 THR A 99 -15.451 -33.677 19.167 1.00 0.00 H new ATOM 0 HG22 THR A 99 -14.152 -32.526 18.773 1.00 0.00 H new ATOM 0 HG23 THR A 99 -15.791 -31.930 19.125 1.00 0.00 H new ATOM 1454 N ALA A 100 -15.333 -31.242 14.051 1.00 0.00 N ATOM 1455 CA ALA A 100 -14.923 -31.465 12.670 1.00 0.00 C ATOM 1456 C ALA A 100 -13.443 -31.152 12.479 1.00 0.00 C ATOM 1457 O ALA A 100 -12.835 -31.555 11.487 1.00 0.00 O ATOM 1458 CB ALA A 100 -15.769 -30.623 11.726 1.00 0.00 C ATOM 0 H ALA A 100 -16.111 -30.591 14.160 1.00 0.00 H new ATOM 0 HA ALA A 100 -15.077 -32.519 12.437 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -15.452 -30.799 10.698 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -16.818 -30.898 11.834 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -15.644 -29.568 11.968 1.00 0.00 H new ATOM 1464 N PHE A 101 -12.868 -30.430 13.435 1.00 0.00 N ATOM 1465 CA PHE A 101 -11.458 -30.061 13.371 1.00 0.00 C ATOM 1466 C PHE A 101 -10.605 -31.027 14.187 1.00 0.00 C ATOM 1467 O PHE A 101 -9.542 -30.662 14.689 1.00 0.00 O ATOM 1468 CB PHE A 101 -11.260 -28.632 13.881 1.00 0.00 C ATOM 1469 CG PHE A 101 -11.757 -27.581 12.930 1.00 0.00 C ATOM 1470 CD1 PHE A 101 -10.986 -27.187 11.848 1.00 0.00 C ATOM 1471 CD2 PHE A 101 -12.995 -26.987 13.117 1.00 0.00 C ATOM 1472 CE1 PHE A 101 -11.441 -26.221 10.970 1.00 0.00 C ATOM 1473 CE2 PHE A 101 -13.455 -26.021 12.243 1.00 0.00 C ATOM 1474 CZ PHE A 101 -12.676 -25.636 11.169 1.00 0.00 C ATOM 0 H PHE A 101 -13.356 -30.089 14.263 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.141 -30.115 12.330 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -11.776 -28.521 14.835 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.200 -28.466 14.071 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.019 -27.640 11.689 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -13.607 -27.283 13.956 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -10.831 -25.924 10.129 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -14.423 -25.567 12.399 1.00 0.00 H new ATOM 0 HZ PHE A 101 -13.032 -24.879 10.486 1.00 0.00 H new ATOM 1484 N ALA A 102 -11.080 -32.262 14.316 1.00 0.00 N ATOM 1485 CA ALA A 102 -10.361 -33.282 15.070 1.00 0.00 C ATOM 1486 C ALA A 102 -9.024 -33.609 14.414 1.00 0.00 C ATOM 1487 O ALA A 102 -8.968 -34.337 13.424 1.00 0.00 O ATOM 1488 CB ALA A 102 -11.209 -34.538 15.199 1.00 0.00 C ATOM 0 H ALA A 102 -11.959 -32.580 13.908 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.160 -32.888 16.066 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.660 -35.291 15.764 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.137 -34.299 15.719 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.439 -34.925 14.206 1.00 0.00 H new ATOM 1494 N GLY A 103 -7.947 -33.064 14.973 1.00 0.00 N ATOM 1495 CA GLY A 103 -6.624 -33.309 14.428 1.00 0.00 C ATOM 1496 C GLY A 103 -5.840 -32.030 14.213 1.00 0.00 C ATOM 1497 O GLY A 103 -4.621 -32.003 14.388 1.00 0.00 O ATOM 0 H GLY A 103 -7.967 -32.458 15.793 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.071 -33.961 15.104 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.717 -33.838 13.480 1.00 0.00 H new ATOM 1501 N THR A 104 -6.539 -30.966 13.831 1.00 0.00 N ATOM 1502 CA THR A 104 -5.900 -29.678 13.589 1.00 0.00 C ATOM 1503 C THR A 104 -5.760 -28.882 14.881 1.00 0.00 C ATOM 1504 O THR A 104 -6.238 -29.302 15.935 1.00 0.00 O ATOM 1505 CB THR A 104 -6.693 -28.841 12.567 1.00 0.00 C ATOM 1506 OG1 THR A 104 -7.972 -28.491 13.108 1.00 0.00 O ATOM 1507 CG2 THR A 104 -6.879 -29.608 11.267 1.00 0.00 C ATOM 0 H THR A 104 -7.548 -30.971 13.682 1.00 0.00 H new ATOM 0 HA THR A 104 -4.909 -29.888 13.186 1.00 0.00 H new ATOM 0 HB THR A 104 -6.127 -27.933 12.357 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.280 -29.203 13.707 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.442 -28.997 10.561 1.00 0.00 H new ATOM 0 HG22 THR A 104 -5.904 -29.847 10.843 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.425 -30.531 11.464 1.00 0.00 H new ATOM 1515 N ALA A 105 -5.101 -27.731 14.794 1.00 0.00 N ATOM 1516 CA ALA A 105 -4.901 -26.876 15.956 1.00 0.00 C ATOM 1517 C ALA A 105 -6.052 -25.889 16.117 1.00 0.00 C ATOM 1518 O ALA A 105 -5.985 -24.971 16.935 1.00 0.00 O ATOM 1519 CB ALA A 105 -3.578 -26.132 15.843 1.00 0.00 C ATOM 0 H ALA A 105 -4.697 -27.370 13.930 1.00 0.00 H new ATOM 0 HA ALA A 105 -4.874 -27.511 16.842 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -3.442 -25.497 16.718 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -2.760 -26.850 15.785 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -3.583 -25.515 14.944 1.00 0.00 H new ATOM 1525 N ILE A 106 -7.106 -26.083 15.331 1.00 0.00 N ATOM 1526 CA ILE A 106 -8.272 -25.210 15.388 1.00 0.00 C ATOM 1527 C ILE A 106 -9.198 -25.604 16.533 1.00 0.00 C ATOM 1528 O ILE A 106 -9.606 -26.760 16.646 1.00 0.00 O ATOM 1529 CB ILE A 106 -9.064 -25.243 14.067 1.00 0.00 C ATOM 1530 CG1 ILE A 106 -8.235 -24.633 12.935 1.00 0.00 C ATOM 1531 CG2 ILE A 106 -10.384 -24.502 14.223 1.00 0.00 C ATOM 1532 CD1 ILE A 106 -8.587 -25.176 11.568 1.00 0.00 C ATOM 0 H ILE A 106 -7.176 -26.837 14.647 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.902 -24.199 15.555 1.00 0.00 H new ATOM 0 HB ILE A 106 -9.280 -26.281 13.815 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -8.375 -23.552 12.935 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -7.178 -24.817 13.129 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -10.933 -24.534 13.282 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.977 -24.976 15.005 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -10.189 -23.465 14.494 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -7.960 -24.699 10.815 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -8.420 -26.253 11.550 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -9.635 -24.968 11.353 1.00 0.00 H new ATOM 1544 N SER A 107 -9.529 -24.634 17.380 1.00 0.00 N ATOM 1545 CA SER A 107 -10.406 -24.879 18.518 1.00 0.00 C ATOM 1546 C SER A 107 -11.717 -24.113 18.368 1.00 0.00 C ATOM 1547 O SER A 107 -11.732 -22.968 17.914 1.00 0.00 O ATOM 1548 CB SER A 107 -9.713 -24.474 19.820 1.00 0.00 C ATOM 1549 OG SER A 107 -8.522 -25.217 20.016 1.00 0.00 O ATOM 0 H SER A 107 -9.203 -23.671 17.299 1.00 0.00 H new ATOM 0 HA SER A 107 -10.629 -25.945 18.550 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.481 -23.409 19.796 1.00 0.00 H new ATOM 0 HB3 SER A 107 -10.388 -24.635 20.660 1.00 0.00 H new ATOM 0 HG SER A 107 -8.097 -24.938 20.854 1.00 0.00 H new ATOM 1555 N ILE A 108 -12.817 -24.753 18.752 1.00 0.00 N ATOM 1556 CA ILE A 108 -14.132 -24.132 18.662 1.00 0.00 C ATOM 1557 C ILE A 108 -14.856 -24.179 20.004 1.00 0.00 C ATOM 1558 O ILE A 108 -14.864 -25.207 20.681 1.00 0.00 O ATOM 1559 CB ILE A 108 -15.007 -24.819 17.596 1.00 0.00 C ATOM 1560 CG1 ILE A 108 -16.200 -23.932 17.236 1.00 0.00 C ATOM 1561 CG2 ILE A 108 -15.480 -26.177 18.093 1.00 0.00 C ATOM 1562 CD1 ILE A 108 -15.860 -22.830 16.258 1.00 0.00 C ATOM 0 H ILE A 108 -12.823 -25.701 19.128 1.00 0.00 H new ATOM 0 HA ILE A 108 -13.971 -23.093 18.375 1.00 0.00 H new ATOM 0 HB ILE A 108 -14.408 -24.972 16.698 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -16.989 -24.553 16.811 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -16.600 -23.487 18.147 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -16.097 -26.650 17.329 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -14.617 -26.808 18.304 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -16.066 -26.048 19.003 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -16.753 -22.241 16.048 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -15.093 -22.186 16.688 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -15.488 -23.268 15.331 1.00 0.00 H new ATOM 1574 N VAL A 109 -15.464 -23.060 20.381 1.00 0.00 N ATOM 1575 CA VAL A 109 -16.193 -22.973 21.641 1.00 0.00 C ATOM 1576 C VAL A 109 -17.648 -22.581 21.408 1.00 0.00 C ATOM 1577 O VAL A 109 -18.065 -22.349 20.273 1.00 0.00 O ATOM 1578 CB VAL A 109 -15.545 -21.954 22.596 1.00 0.00 C ATOM 1579 CG1 VAL A 109 -14.097 -22.328 22.874 1.00 0.00 C ATOM 1580 CG2 VAL A 109 -15.640 -20.549 22.020 1.00 0.00 C ATOM 0 H VAL A 109 -15.467 -22.200 19.832 1.00 0.00 H new ATOM 0 HA VAL A 109 -16.155 -23.962 22.097 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.088 -21.972 23.541 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -13.656 -21.596 23.551 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -14.058 -23.316 23.332 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -13.538 -22.340 21.938 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -15.177 -19.842 22.708 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -15.123 -20.513 21.061 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -16.688 -20.284 21.878 1.00 0.00 H new