USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 620 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 20 THR OG1 : rot -18:sc= 0.234 USER MOD Single : A 22 THR OG1 : rot 37:sc= 1.08 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 -141:sc= -0.35 (180deg=-2.14!) USER MOD Single : A 35 THR OG1 : rot -110:sc= 0.127 USER MOD Single : A 38 MET CE :methyl -176:sc= 0 (180deg=-0.0211) USER MOD Single : A 45 LYS NZ :NH3+ -122:sc= 0.00176 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -73:sc= 1.16 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.92 K(o=-1.9,f=-4.7!) USER MOD Single : A 68 THR OG1 : rot -41:sc= 0.48 USER MOD Single : A 69 SER OG : rot 70:sc= 0.551 USER MOD Single : A 70 THR OG1 : rot -30:sc= 0.475 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.101 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 66:sc= 0.697 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 70:sc= -0.875 USER MOD Single : A 92 SER OG : rot 180:sc= 0.00417 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -176:sc= -0.201 (180deg=-0.266) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 73:sc= 1.06 USER MOD Single : A 104 THR OG1 : rot -47:sc= 1.04 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 282 N THR A 20 -2.443 -16.462 7.637 1.00 0.00 N ATOM 283 CA THR A 20 -3.476 -17.310 7.055 1.00 0.00 C ATOM 284 C THR A 20 -2.883 -18.279 6.039 1.00 0.00 C ATOM 285 O THR A 20 -1.698 -18.206 5.716 1.00 0.00 O ATOM 286 CB THR A 20 -4.571 -16.471 6.370 1.00 0.00 C ATOM 287 OG1 THR A 20 -3.974 -15.455 5.558 1.00 0.00 O ATOM 288 CG2 THR A 20 -5.487 -15.830 7.402 1.00 0.00 C ATOM 0 HA THR A 20 -3.921 -17.875 7.874 1.00 0.00 H new ATOM 0 HB THR A 20 -5.166 -17.134 5.742 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.043 -15.321 5.833 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.252 -15.243 6.894 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.963 -16.608 7.999 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.903 -15.180 8.053 1.00 0.00 H new ATOM 296 N ALA A 21 -3.715 -19.186 5.538 1.00 0.00 N ATOM 297 CA ALA A 21 -3.274 -20.168 4.555 1.00 0.00 C ATOM 298 C ALA A 21 -3.829 -19.848 3.172 1.00 0.00 C ATOM 299 O ALA A 21 -4.960 -19.379 3.037 1.00 0.00 O ATOM 300 CB ALA A 21 -3.691 -21.567 4.983 1.00 0.00 C ATOM 0 H ALA A 21 -4.699 -19.261 5.797 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.186 -20.126 4.499 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.355 -22.290 4.240 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.240 -21.802 5.947 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.777 -21.613 5.069 1.00 0.00 H new ATOM 306 N THR A 22 -3.026 -20.104 2.143 1.00 0.00 N ATOM 307 CA THR A 22 -3.437 -19.842 0.769 1.00 0.00 C ATOM 308 C THR A 22 -3.461 -21.126 -0.052 1.00 0.00 C ATOM 309 O THR A 22 -2.415 -21.644 -0.442 1.00 0.00 O ATOM 310 CB THR A 22 -2.501 -18.827 0.087 1.00 0.00 C ATOM 311 OG1 THR A 22 -1.171 -19.355 0.020 1.00 0.00 O ATOM 312 CG2 THR A 22 -2.490 -17.507 0.844 1.00 0.00 C ATOM 0 H THR A 22 -2.087 -20.492 2.236 1.00 0.00 H new ATOM 0 HA THR A 22 -4.443 -19.424 0.814 1.00 0.00 H new ATOM 0 HB THR A 22 -2.871 -18.646 -0.922 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.210 -20.317 -0.161 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.822 -16.806 0.343 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.498 -17.093 0.868 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.142 -17.675 1.863 1.00 0.00 H new ATOM 320 N ALA A 23 -4.660 -21.635 -0.312 1.00 0.00 N ATOM 321 CA ALA A 23 -4.820 -22.857 -1.090 1.00 0.00 C ATOM 322 C ALA A 23 -4.909 -22.551 -2.581 1.00 0.00 C ATOM 323 O ALA A 23 -5.168 -21.420 -2.993 1.00 0.00 O ATOM 324 CB ALA A 23 -6.055 -23.618 -0.630 1.00 0.00 C ATOM 0 H ALA A 23 -5.536 -21.220 0.005 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.941 -23.480 -0.926 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.162 -24.528 -1.220 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.951 -23.878 0.423 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.938 -22.993 -0.764 1.00 0.00 H new ATOM 330 N PRO A 24 -4.689 -23.581 -3.411 1.00 0.00 N ATOM 331 CA PRO A 24 -4.738 -23.447 -4.870 1.00 0.00 C ATOM 332 C PRO A 24 -6.155 -23.210 -5.382 1.00 0.00 C ATOM 333 O PRO A 24 -6.372 -23.046 -6.582 1.00 0.00 O ATOM 334 CB PRO A 24 -4.208 -24.793 -5.369 1.00 0.00 C ATOM 335 CG PRO A 24 -4.498 -25.748 -4.263 1.00 0.00 C ATOM 336 CD PRO A 24 -4.374 -24.957 -2.990 1.00 0.00 C ATOM 0 HA PRO A 24 -4.161 -22.591 -5.220 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.702 -25.095 -6.293 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.140 -24.744 -5.580 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.498 -26.170 -4.364 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.797 -26.582 -4.274 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.067 -25.312 -2.227 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.371 -25.029 -2.568 1.00 0.00 H new ATOM 344 N GLY A 25 -7.117 -23.192 -4.464 1.00 0.00 N ATOM 345 CA GLY A 25 -8.500 -22.974 -4.843 1.00 0.00 C ATOM 346 C GLY A 25 -8.997 -24.002 -5.841 1.00 0.00 C ATOM 347 O GLY A 25 -8.580 -24.005 -6.998 1.00 0.00 O ATOM 0 H GLY A 25 -6.963 -23.325 -3.465 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.127 -23.005 -3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.603 -21.977 -5.271 1.00 0.00 H new ATOM 351 N GLY A 26 -9.891 -24.877 -5.391 1.00 0.00 N ATOM 352 CA GLY A 26 -10.429 -25.903 -6.266 1.00 0.00 C ATOM 353 C GLY A 26 -11.896 -26.177 -6.003 1.00 0.00 C ATOM 354 O GLY A 26 -12.407 -27.245 -6.345 1.00 0.00 O ATOM 0 H GLY A 26 -10.252 -24.894 -4.437 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.300 -25.595 -7.304 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.861 -26.824 -6.134 1.00 0.00 H new ATOM 358 N LEU A 27 -12.577 -25.213 -5.395 1.00 0.00 N ATOM 359 CA LEU A 27 -13.996 -25.355 -5.085 1.00 0.00 C ATOM 360 C LEU A 27 -14.785 -25.764 -6.324 1.00 0.00 C ATOM 361 O LEU A 27 -14.280 -25.695 -7.445 1.00 0.00 O ATOM 362 CB LEU A 27 -14.549 -24.045 -4.522 1.00 0.00 C ATOM 363 CG LEU A 27 -14.494 -23.891 -3.002 1.00 0.00 C ATOM 364 CD1 LEU A 27 -13.154 -23.316 -2.572 1.00 0.00 C ATOM 365 CD2 LEU A 27 -15.636 -23.011 -2.514 1.00 0.00 C ATOM 0 H LEU A 27 -12.170 -24.323 -5.106 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.103 -26.138 -4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.998 -23.219 -4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.587 -23.946 -4.840 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.604 -24.877 -2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.133 -23.214 -1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.353 -23.984 -2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.014 -22.338 -3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.581 -22.912 -1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.557 -22.025 -2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.588 -23.464 -2.790 1.00 0.00 H new ATOM 377 N SER A 28 -16.028 -26.187 -6.115 1.00 0.00 N ATOM 378 CA SER A 28 -16.887 -26.608 -7.215 1.00 0.00 C ATOM 379 C SER A 28 -18.084 -25.673 -7.359 1.00 0.00 C ATOM 380 O SER A 28 -18.728 -25.627 -8.406 1.00 0.00 O ATOM 381 CB SER A 28 -17.371 -28.043 -6.992 1.00 0.00 C ATOM 382 OG SER A 28 -16.278 -28.925 -6.803 1.00 0.00 O ATOM 0 H SER A 28 -16.462 -26.247 -5.194 1.00 0.00 H new ATOM 0 HA SER A 28 -16.303 -26.567 -8.135 1.00 0.00 H new ATOM 0 HB2 SER A 28 -18.026 -28.078 -6.121 1.00 0.00 H new ATOM 0 HB3 SER A 28 -17.961 -28.368 -7.848 1.00 0.00 H new ATOM 0 HG SER A 28 -16.613 -29.835 -6.661 1.00 0.00 H new ATOM 388 N ALA A 29 -18.375 -24.928 -6.297 1.00 0.00 N ATOM 389 CA ALA A 29 -19.492 -23.992 -6.304 1.00 0.00 C ATOM 390 C ALA A 29 -19.223 -22.809 -5.380 1.00 0.00 C ATOM 391 O ALA A 29 -18.205 -22.767 -4.688 1.00 0.00 O ATOM 392 CB ALA A 29 -20.776 -24.699 -5.898 1.00 0.00 C ATOM 0 H ALA A 29 -17.853 -24.955 -5.421 1.00 0.00 H new ATOM 0 HA ALA A 29 -19.606 -23.609 -7.318 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -21.602 -23.988 -5.908 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -20.984 -25.506 -6.600 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -20.663 -25.110 -4.895 1.00 0.00 H new ATOM 398 N LYS A 30 -20.141 -21.848 -5.373 1.00 0.00 N ATOM 399 CA LYS A 30 -20.004 -20.664 -4.534 1.00 0.00 C ATOM 400 C LYS A 30 -20.328 -20.988 -3.079 1.00 0.00 C ATOM 401 O LYS A 30 -21.338 -21.627 -2.786 1.00 0.00 O ATOM 402 CB LYS A 30 -20.923 -19.549 -5.036 1.00 0.00 C ATOM 403 CG LYS A 30 -22.391 -19.939 -5.070 1.00 0.00 C ATOM 404 CD LYS A 30 -23.250 -18.827 -5.647 1.00 0.00 C ATOM 405 CE LYS A 30 -24.635 -19.331 -6.023 1.00 0.00 C ATOM 406 NZ LYS A 30 -25.565 -18.212 -6.343 1.00 0.00 N ATOM 0 H LYS A 30 -20.989 -21.867 -5.940 1.00 0.00 H new ATOM 0 HA LYS A 30 -18.969 -20.327 -4.591 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -20.803 -18.675 -4.396 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -20.610 -19.256 -6.038 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -22.515 -20.843 -5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -22.729 -20.175 -4.061 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -23.340 -18.021 -4.919 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -22.762 -18.409 -6.528 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -24.558 -19.996 -6.883 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -25.043 -19.919 -5.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -26.498 -18.597 -6.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -25.659 -17.591 -5.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -25.189 -17.666 -7.144 1.00 0.00 H new ATOM 420 N ALA A 31 -19.465 -20.542 -2.172 1.00 0.00 N ATOM 421 CA ALA A 31 -19.662 -20.782 -0.748 1.00 0.00 C ATOM 422 C ALA A 31 -19.320 -19.541 0.070 1.00 0.00 C ATOM 423 O ALA A 31 -18.319 -18.866 -0.170 1.00 0.00 O ATOM 424 CB ALA A 31 -18.823 -21.966 -0.290 1.00 0.00 C ATOM 0 H ALA A 31 -18.623 -20.013 -2.398 1.00 0.00 H new ATOM 0 HA ALA A 31 -20.715 -21.013 -0.586 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -18.981 -22.133 0.776 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -19.118 -22.857 -0.845 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -17.769 -21.757 -0.473 1.00 0.00 H new ATOM 430 N PRO A 32 -20.170 -19.232 1.061 1.00 0.00 N ATOM 431 CA PRO A 32 -19.979 -18.070 1.934 1.00 0.00 C ATOM 432 C PRO A 32 -18.791 -18.242 2.875 1.00 0.00 C ATOM 433 O PRO A 32 -18.350 -19.361 3.134 1.00 0.00 O ATOM 434 CB PRO A 32 -21.286 -18.004 2.729 1.00 0.00 C ATOM 435 CG PRO A 32 -21.804 -19.401 2.722 1.00 0.00 C ATOM 436 CD PRO A 32 -21.384 -19.992 1.404 1.00 0.00 C ATOM 0 HA PRO A 32 -19.764 -17.165 1.366 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -21.114 -17.651 3.746 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -21.995 -17.316 2.268 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -21.394 -19.973 3.554 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -22.889 -19.416 2.828 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -21.179 -21.059 1.489 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -22.159 -19.875 0.646 1.00 0.00 H new ATOM 444 N ALA A 33 -18.279 -17.126 3.384 1.00 0.00 N ATOM 445 CA ALA A 33 -17.145 -17.155 4.299 1.00 0.00 C ATOM 446 C ALA A 33 -17.572 -17.610 5.690 1.00 0.00 C ATOM 447 O ALA A 33 -18.729 -17.968 5.908 1.00 0.00 O ATOM 448 CB ALA A 33 -16.488 -15.783 4.368 1.00 0.00 C ATOM 0 H ALA A 33 -18.632 -16.191 3.178 1.00 0.00 H new ATOM 0 HA ALA A 33 -16.420 -17.875 3.918 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.642 -15.819 5.055 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.138 -15.497 3.376 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -17.213 -15.050 4.722 1.00 0.00 H new ATOM 454 N MET A 34 -16.630 -17.594 6.628 1.00 0.00 N ATOM 455 CA MET A 34 -16.911 -18.005 7.999 1.00 0.00 C ATOM 456 C MET A 34 -17.452 -19.430 8.039 1.00 0.00 C ATOM 457 O MET A 34 -18.507 -19.689 8.620 1.00 0.00 O ATOM 458 CB MET A 34 -17.914 -17.048 8.646 1.00 0.00 C ATOM 459 CG MET A 34 -17.262 -15.856 9.329 1.00 0.00 C ATOM 460 SD MET A 34 -16.056 -16.344 10.577 1.00 0.00 S ATOM 461 CE MET A 34 -17.098 -17.250 11.718 1.00 0.00 C ATOM 0 H MET A 34 -15.667 -17.301 6.464 1.00 0.00 H new ATOM 0 HA MET A 34 -15.977 -17.974 8.560 1.00 0.00 H new ATOM 0 HB2 MET A 34 -18.604 -16.687 7.883 1.00 0.00 H new ATOM 0 HB3 MET A 34 -18.507 -17.596 9.378 1.00 0.00 H new ATOM 0 HG2 MET A 34 -16.772 -15.236 8.579 1.00 0.00 H new ATOM 0 HG3 MET A 34 -18.033 -15.243 9.795 1.00 0.00 H new ATOM 0 HE1 MET A 34 -16.794 -17.031 12.741 1.00 0.00 H new ATOM 0 HE2 MET A 34 -18.137 -16.952 11.577 1.00 0.00 H new ATOM 0 HE3 MET A 34 -16.998 -18.319 11.531 1.00 0.00 H new ATOM 471 N THR A 35 -16.724 -20.353 7.418 1.00 0.00 N ATOM 472 CA THR A 35 -17.132 -21.752 7.382 1.00 0.00 C ATOM 473 C THR A 35 -15.935 -22.668 7.155 1.00 0.00 C ATOM 474 O THR A 35 -14.986 -22.326 6.450 1.00 0.00 O ATOM 475 CB THR A 35 -18.174 -22.005 6.276 1.00 0.00 C ATOM 476 OG1 THR A 35 -17.588 -21.777 4.989 1.00 0.00 O ATOM 477 CG2 THR A 35 -19.384 -21.100 6.455 1.00 0.00 C ATOM 0 H THR A 35 -15.848 -20.157 6.933 1.00 0.00 H new ATOM 0 HA THR A 35 -17.579 -21.976 8.351 1.00 0.00 H new ATOM 0 HB THR A 35 -18.502 -23.042 6.347 1.00 0.00 H new ATOM 0 HG1 THR A 35 -17.976 -20.970 4.591 1.00 0.00 H new ATOM 0 HG21 THR A 35 -20.106 -21.297 5.662 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.845 -21.296 7.423 1.00 0.00 H new ATOM 0 HG23 THR A 35 -19.069 -20.058 6.408 1.00 0.00 H new ATOM 485 N PRO A 36 -15.978 -23.861 7.767 1.00 0.00 N ATOM 486 CA PRO A 36 -14.905 -24.852 7.645 1.00 0.00 C ATOM 487 C PRO A 36 -14.833 -25.460 6.249 1.00 0.00 C ATOM 488 O PRO A 36 -15.852 -25.618 5.576 1.00 0.00 O ATOM 489 CB PRO A 36 -15.289 -25.919 8.674 1.00 0.00 C ATOM 490 CG PRO A 36 -16.767 -25.793 8.816 1.00 0.00 C ATOM 491 CD PRO A 36 -17.079 -24.335 8.623 1.00 0.00 C ATOM 0 HA PRO A 36 -13.922 -24.411 7.814 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.007 -26.916 8.335 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.784 -25.752 9.625 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -17.284 -26.404 8.076 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.095 -26.136 9.797 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -18.049 -24.191 8.147 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -17.108 -23.801 9.573 1.00 0.00 H new ATOM 499 N LEU A 37 -13.623 -25.801 5.819 1.00 0.00 N ATOM 500 CA LEU A 37 -13.417 -26.393 4.502 1.00 0.00 C ATOM 501 C LEU A 37 -12.593 -27.672 4.603 1.00 0.00 C ATOM 502 O LEU A 37 -12.124 -28.037 5.680 1.00 0.00 O ATOM 503 CB LEU A 37 -12.720 -25.395 3.575 1.00 0.00 C ATOM 504 CG LEU A 37 -13.142 -23.933 3.725 1.00 0.00 C ATOM 505 CD1 LEU A 37 -12.040 -23.007 3.234 1.00 0.00 C ATOM 506 CD2 LEU A 37 -14.437 -23.671 2.971 1.00 0.00 C ATOM 0 H LEU A 37 -12.769 -25.678 6.364 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.393 -26.644 4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.645 -25.461 3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.900 -25.700 2.544 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.314 -23.731 4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.358 -21.971 3.348 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.136 -23.176 3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.836 -23.210 2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -14.722 -22.626 3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.293 -23.890 1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.226 -24.309 3.370 1.00 0.00 H new ATOM 518 N MET A 38 -12.418 -28.348 3.472 1.00 0.00 N ATOM 519 CA MET A 38 -11.646 -29.585 3.432 1.00 0.00 C ATOM 520 C MET A 38 -10.518 -29.490 2.410 1.00 0.00 C ATOM 521 O MET A 38 -10.702 -28.955 1.316 1.00 0.00 O ATOM 522 CB MET A 38 -12.556 -30.768 3.096 1.00 0.00 C ATOM 523 CG MET A 38 -13.165 -30.691 1.706 1.00 0.00 C ATOM 524 SD MET A 38 -14.646 -31.705 1.539 1.00 0.00 S ATOM 525 CE MET A 38 -13.966 -33.343 1.790 1.00 0.00 C ATOM 0 H MET A 38 -12.800 -28.060 2.571 1.00 0.00 H new ATOM 0 HA MET A 38 -11.207 -29.742 4.417 1.00 0.00 H new ATOM 0 HB2 MET A 38 -11.984 -31.692 3.182 1.00 0.00 H new ATOM 0 HB3 MET A 38 -13.358 -30.820 3.833 1.00 0.00 H new ATOM 0 HG2 MET A 38 -13.412 -29.654 1.479 1.00 0.00 H new ATOM 0 HG3 MET A 38 -12.426 -31.011 0.972 1.00 0.00 H new ATOM 0 HE1 MET A 38 -14.749 -34.088 1.646 1.00 0.00 H new ATOM 0 HE2 MET A 38 -13.163 -33.517 1.074 1.00 0.00 H new ATOM 0 HE3 MET A 38 -13.572 -33.422 2.803 1.00 0.00 H new ATOM 535 N LEU A 39 -9.351 -30.010 2.773 1.00 0.00 N ATOM 536 CA LEU A 39 -8.193 -29.984 1.887 1.00 0.00 C ATOM 537 C LEU A 39 -7.987 -31.339 1.219 1.00 0.00 C ATOM 538 O LEU A 39 -7.617 -32.315 1.872 1.00 0.00 O ATOM 539 CB LEU A 39 -6.937 -29.592 2.669 1.00 0.00 C ATOM 540 CG LEU A 39 -5.672 -29.372 1.840 1.00 0.00 C ATOM 541 CD1 LEU A 39 -5.090 -30.704 1.391 1.00 0.00 C ATOM 542 CD2 LEU A 39 -5.968 -28.485 0.639 1.00 0.00 C ATOM 0 H LEU A 39 -9.182 -30.455 3.675 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.377 -29.242 1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.149 -28.677 3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.734 -30.370 3.405 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.934 -28.868 2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.190 -30.528 0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.840 -31.305 2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.823 -31.235 0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.056 -28.339 0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.723 -28.961 0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.338 -27.519 0.983 1.00 0.00 H new ATOM 626 N LYS A 45 -6.221 -30.164 -4.033 1.00 0.00 N ATOM 627 CA LYS A 45 -6.984 -28.923 -4.069 1.00 0.00 C ATOM 628 C LYS A 45 -7.863 -28.788 -2.829 1.00 0.00 C ATOM 629 O LYS A 45 -8.210 -29.783 -2.191 1.00 0.00 O ATOM 630 CB LYS A 45 -7.850 -28.868 -5.329 1.00 0.00 C ATOM 631 CG LYS A 45 -8.806 -30.040 -5.462 1.00 0.00 C ATOM 632 CD LYS A 45 -9.220 -30.262 -6.907 1.00 0.00 C ATOM 633 CE LYS A 45 -10.434 -31.173 -7.006 1.00 0.00 C ATOM 634 NZ LYS A 45 -11.707 -30.420 -6.837 1.00 0.00 N ATOM 0 HA LYS A 45 -6.278 -28.093 -4.085 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.423 -27.941 -5.325 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.201 -28.838 -6.204 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.332 -30.942 -5.076 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.692 -29.859 -4.853 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.445 -29.303 -7.374 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.390 -30.699 -7.461 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.434 -31.674 -7.974 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.368 -31.950 -6.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.241 -30.816 -6.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.496 -29.419 -6.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.275 -30.498 -7.705 1.00 0.00 H new ATOM 648 N LEU A 46 -8.221 -27.554 -2.495 1.00 0.00 N ATOM 649 CA LEU A 46 -9.062 -27.290 -1.332 1.00 0.00 C ATOM 650 C LEU A 46 -10.468 -26.880 -1.758 1.00 0.00 C ATOM 651 O LEU A 46 -10.641 -26.068 -2.667 1.00 0.00 O ATOM 652 CB LEU A 46 -8.439 -26.193 -0.466 1.00 0.00 C ATOM 653 CG LEU A 46 -8.790 -26.232 1.022 1.00 0.00 C ATOM 654 CD1 LEU A 46 -7.864 -25.320 1.812 1.00 0.00 C ATOM 655 CD2 LEU A 46 -10.243 -25.836 1.238 1.00 0.00 C ATOM 0 H LEU A 46 -7.943 -26.720 -3.012 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.132 -28.209 -0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.355 -26.252 -0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.744 -25.226 -0.865 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.656 -27.252 1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.128 -25.360 2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.833 -25.649 1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.966 -24.297 1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.475 -25.869 2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.404 -24.825 0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.892 -26.529 0.703 1.00 0.00 H new ATOM 667 N VAL A 47 -11.471 -27.447 -1.094 1.00 0.00 N ATOM 668 CA VAL A 47 -12.862 -27.138 -1.402 1.00 0.00 C ATOM 669 C VAL A 47 -13.706 -27.084 -0.134 1.00 0.00 C ATOM 670 O VAL A 47 -13.281 -27.539 0.928 1.00 0.00 O ATOM 671 CB VAL A 47 -13.468 -28.177 -2.364 1.00 0.00 C ATOM 672 CG1 VAL A 47 -12.562 -28.381 -3.569 1.00 0.00 C ATOM 673 CG2 VAL A 47 -13.712 -29.493 -1.642 1.00 0.00 C ATOM 0 H VAL A 47 -11.346 -28.122 -0.340 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.870 -26.160 -1.883 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.427 -27.801 -2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -13.006 -29.118 -4.238 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.443 -27.436 -4.099 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.587 -28.735 -3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -14.140 -30.215 -2.337 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -12.768 -29.877 -1.256 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -14.403 -29.331 -0.815 1.00 0.00 H new ATOM 683 N ALA A 48 -14.906 -26.524 -0.252 1.00 0.00 N ATOM 684 CA ALA A 48 -15.812 -26.412 0.885 1.00 0.00 C ATOM 685 C ALA A 48 -16.024 -27.766 1.553 1.00 0.00 C ATOM 686 O ALA A 48 -16.065 -28.799 0.885 1.00 0.00 O ATOM 687 CB ALA A 48 -17.144 -25.826 0.442 1.00 0.00 C ATOM 0 H ALA A 48 -15.273 -26.141 -1.123 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.358 -25.743 1.616 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -17.811 -25.748 1.301 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -16.982 -24.835 0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -17.595 -26.474 -0.310 1.00 0.00 H new ATOM 693 N TRP A 49 -16.156 -27.754 2.875 1.00 0.00 N ATOM 694 CA TRP A 49 -16.363 -28.982 3.633 1.00 0.00 C ATOM 695 C TRP A 49 -17.628 -29.699 3.174 1.00 0.00 C ATOM 696 O TRP A 49 -18.579 -29.067 2.715 1.00 0.00 O ATOM 697 CB TRP A 49 -16.451 -28.674 5.129 1.00 0.00 C ATOM 698 CG TRP A 49 -16.639 -29.895 5.977 1.00 0.00 C ATOM 699 CD1 TRP A 49 -16.089 -31.128 5.772 1.00 0.00 C ATOM 700 CD2 TRP A 49 -17.433 -30.000 7.164 1.00 0.00 C ATOM 701 NE1 TRP A 49 -16.493 -31.993 6.760 1.00 0.00 N ATOM 702 CE2 TRP A 49 -17.318 -31.326 7.626 1.00 0.00 C ATOM 703 CE3 TRP A 49 -18.228 -29.103 7.882 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -17.969 -31.773 8.773 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -18.874 -29.549 9.020 1.00 0.00 C ATOM 706 CH2 TRP A 49 -18.741 -30.874 9.456 1.00 0.00 C ATOM 0 H TRP A 49 -16.123 -26.908 3.443 1.00 0.00 H new ATOM 0 HA TRP A 49 -15.511 -29.638 3.454 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -15.542 -28.160 5.441 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -17.280 -27.988 5.303 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -15.433 -31.385 4.954 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -16.222 -32.973 6.836 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -18.336 -28.080 7.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -17.868 -32.794 9.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -19.492 -28.865 9.583 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -19.258 -31.192 10.349 1.00 0.00 H new ATOM 717 N ASP A 50 -17.633 -31.022 3.302 1.00 0.00 N ATOM 718 CA ASP A 50 -18.782 -31.824 2.901 1.00 0.00 C ATOM 719 C ASP A 50 -19.888 -31.750 3.949 1.00 0.00 C ATOM 720 O ASP A 50 -21.041 -31.462 3.631 1.00 0.00 O ATOM 721 CB ASP A 50 -18.365 -33.279 2.684 1.00 0.00 C ATOM 722 CG ASP A 50 -19.445 -34.096 2.003 1.00 0.00 C ATOM 723 OD1 ASP A 50 -19.462 -34.133 0.754 1.00 0.00 O ATOM 724 OD2 ASP A 50 -20.272 -34.699 2.717 1.00 0.00 O ATOM 0 H ASP A 50 -16.854 -31.561 3.680 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.166 -31.421 1.964 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -17.457 -33.308 2.081 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -18.123 -33.732 3.646 1.00 0.00 H new ATOM 729 N GLY A 51 -19.529 -32.014 5.202 1.00 0.00 N ATOM 730 CA GLY A 51 -20.502 -31.974 6.277 1.00 0.00 C ATOM 731 C GLY A 51 -20.654 -33.312 6.973 1.00 0.00 C ATOM 732 O GLY A 51 -21.087 -33.377 8.124 1.00 0.00 O ATOM 0 H GLY A 51 -18.581 -32.255 5.491 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.202 -31.221 7.006 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.468 -31.664 5.877 1.00 0.00 H new ATOM 736 N THR A 52 -20.297 -34.385 6.273 1.00 0.00 N ATOM 737 CA THR A 52 -20.398 -35.728 6.829 1.00 0.00 C ATOM 738 C THR A 52 -19.029 -36.257 7.240 1.00 0.00 C ATOM 739 O THR A 52 -18.870 -36.828 8.319 1.00 0.00 O ATOM 740 CB THR A 52 -21.033 -36.706 5.823 1.00 0.00 C ATOM 741 OG1 THR A 52 -20.417 -36.558 4.539 1.00 0.00 O ATOM 742 CG2 THR A 52 -22.530 -36.463 5.704 1.00 0.00 C ATOM 0 H THR A 52 -19.935 -34.349 5.320 1.00 0.00 H new ATOM 0 HA THR A 52 -21.037 -35.658 7.709 1.00 0.00 H new ATOM 0 HB THR A 52 -20.873 -37.721 6.187 1.00 0.00 H new ATOM 0 HG1 THR A 52 -20.710 -35.717 4.130 1.00 0.00 H new ATOM 0 HG21 THR A 52 -22.957 -37.165 4.988 1.00 0.00 H new ATOM 0 HG22 THR A 52 -23.000 -36.606 6.677 1.00 0.00 H new ATOM 0 HG23 THR A 52 -22.707 -35.443 5.362 1.00 0.00 H new ATOM 750 N THR A 53 -18.040 -36.064 6.372 1.00 0.00 N ATOM 751 CA THR A 53 -16.684 -36.523 6.644 1.00 0.00 C ATOM 752 C THR A 53 -16.214 -36.063 8.020 1.00 0.00 C ATOM 753 O THR A 53 -16.140 -34.865 8.292 1.00 0.00 O ATOM 754 CB THR A 53 -15.694 -36.014 5.579 1.00 0.00 C ATOM 755 OG1 THR A 53 -16.138 -36.400 4.274 1.00 0.00 O ATOM 756 CG2 THR A 53 -14.299 -36.565 5.830 1.00 0.00 C ATOM 0 H THR A 53 -18.154 -35.593 5.475 1.00 0.00 H new ATOM 0 HA THR A 53 -16.707 -37.612 6.616 1.00 0.00 H new ATOM 0 HB THR A 53 -15.654 -34.927 5.641 1.00 0.00 H new ATOM 0 HG1 THR A 53 -15.504 -36.071 3.602 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.617 -36.192 5.066 1.00 0.00 H new ATOM 0 HG22 THR A 53 -13.953 -36.245 6.813 1.00 0.00 H new ATOM 0 HG23 THR A 53 -14.326 -37.654 5.792 1.00 0.00 H new ATOM 764 N ASP A 54 -15.897 -37.022 8.883 1.00 0.00 N ATOM 765 CA ASP A 54 -15.432 -36.715 10.230 1.00 0.00 C ATOM 766 C ASP A 54 -13.971 -36.274 10.214 1.00 0.00 C ATOM 767 O ASP A 54 -13.127 -36.912 9.587 1.00 0.00 O ATOM 768 CB ASP A 54 -15.599 -37.932 11.140 1.00 0.00 C ATOM 769 CG ASP A 54 -14.851 -39.147 10.627 1.00 0.00 C ATOM 770 OD1 ASP A 54 -15.389 -39.844 9.742 1.00 0.00 O ATOM 771 OD2 ASP A 54 -13.728 -39.400 11.111 1.00 0.00 O ATOM 0 H ASP A 54 -15.954 -38.019 8.673 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.036 -35.895 10.618 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.243 -37.685 12.140 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -16.658 -38.172 11.229 1.00 0.00 H new ATOM 776 N GLY A 55 -13.681 -35.177 10.907 1.00 0.00 N ATOM 777 CA GLY A 55 -12.323 -34.669 10.958 1.00 0.00 C ATOM 778 C GLY A 55 -11.824 -34.211 9.602 1.00 0.00 C ATOM 779 O GLY A 55 -10.628 -34.270 9.321 1.00 0.00 O ATOM 0 H GLY A 55 -14.363 -34.631 11.434 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.276 -33.836 11.659 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.662 -35.446 11.342 1.00 0.00 H new ATOM 783 N ALA A 56 -12.744 -33.754 8.758 1.00 0.00 N ATOM 784 CA ALA A 56 -12.391 -33.284 7.424 1.00 0.00 C ATOM 785 C ALA A 56 -12.058 -31.796 7.437 1.00 0.00 C ATOM 786 O ALA A 56 -11.213 -31.333 6.671 1.00 0.00 O ATOM 787 CB ALA A 56 -13.524 -33.565 6.449 1.00 0.00 C ATOM 0 H ALA A 56 -13.739 -33.699 8.975 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.503 -33.825 7.098 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.247 -33.209 5.457 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.713 -34.638 6.410 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.426 -33.050 6.781 1.00 0.00 H new ATOM 793 N ALA A 57 -12.727 -31.052 8.311 1.00 0.00 N ATOM 794 CA ALA A 57 -12.501 -29.617 8.424 1.00 0.00 C ATOM 795 C ALA A 57 -11.051 -29.316 8.790 1.00 0.00 C ATOM 796 O ALA A 57 -10.602 -29.628 9.893 1.00 0.00 O ATOM 797 CB ALA A 57 -13.444 -29.013 9.454 1.00 0.00 C ATOM 0 H ALA A 57 -13.430 -31.420 8.952 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.704 -29.165 7.453 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.264 -27.941 9.528 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.476 -29.187 9.149 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -13.269 -29.478 10.424 1.00 0.00 H new ATOM 803 N VAL A 58 -10.323 -28.710 7.858 1.00 0.00 N ATOM 804 CA VAL A 58 -8.924 -28.368 8.083 1.00 0.00 C ATOM 805 C VAL A 58 -8.773 -26.901 8.470 1.00 0.00 C ATOM 806 O VAL A 58 -7.877 -26.538 9.231 1.00 0.00 O ATOM 807 CB VAL A 58 -8.070 -28.648 6.832 1.00 0.00 C ATOM 808 CG1 VAL A 58 -8.174 -30.111 6.431 1.00 0.00 C ATOM 809 CG2 VAL A 58 -8.490 -27.741 5.686 1.00 0.00 C ATOM 0 H VAL A 58 -10.679 -28.446 6.939 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.572 -28.995 8.902 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.028 -28.435 7.070 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.564 -30.290 5.545 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.819 -30.738 7.249 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.213 -30.355 6.211 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.876 -27.953 4.811 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.538 -27.920 5.446 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.357 -26.700 5.979 1.00 0.00 H new ATOM 819 N GLY A 59 -9.657 -26.060 7.941 1.00 0.00 N ATOM 820 CA GLY A 59 -9.605 -24.642 8.244 1.00 0.00 C ATOM 821 C GLY A 59 -10.914 -23.937 7.946 1.00 0.00 C ATOM 822 O GLY A 59 -11.822 -24.524 7.357 1.00 0.00 O ATOM 0 H GLY A 59 -10.408 -26.336 7.308 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.355 -24.507 9.296 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.806 -24.179 7.665 1.00 0.00 H new ATOM 826 N ILE A 60 -11.011 -22.677 8.354 1.00 0.00 N ATOM 827 CA ILE A 60 -12.219 -21.892 8.127 1.00 0.00 C ATOM 828 C ILE A 60 -11.967 -20.774 7.121 1.00 0.00 C ATOM 829 O ILE A 60 -11.050 -19.969 7.287 1.00 0.00 O ATOM 830 CB ILE A 60 -12.746 -21.279 9.438 1.00 0.00 C ATOM 831 CG1 ILE A 60 -12.775 -22.334 10.545 1.00 0.00 C ATOM 832 CG2 ILE A 60 -14.131 -20.686 9.226 1.00 0.00 C ATOM 833 CD1 ILE A 60 -12.868 -21.748 11.936 1.00 0.00 C ATOM 0 H ILE A 60 -10.269 -22.177 8.843 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.969 -22.575 7.727 1.00 0.00 H new ATOM 0 HB ILE A 60 -12.073 -20.478 9.744 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.624 -22.997 10.381 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -11.875 -22.946 10.477 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -14.490 -20.257 10.161 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -14.081 -19.907 8.465 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -14.816 -21.469 8.900 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -12.884 -22.554 12.670 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -12.005 -21.107 12.119 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -13.782 -21.160 12.023 1.00 0.00 H new ATOM 845 N LEU A 61 -12.788 -20.730 6.077 1.00 0.00 N ATOM 846 CA LEU A 61 -12.657 -19.709 5.043 1.00 0.00 C ATOM 847 C LEU A 61 -12.866 -18.315 5.625 1.00 0.00 C ATOM 848 O LEU A 61 -13.894 -18.036 6.241 1.00 0.00 O ATOM 849 CB LEU A 61 -13.664 -19.961 3.920 1.00 0.00 C ATOM 850 CG LEU A 61 -13.221 -19.546 2.516 1.00 0.00 C ATOM 851 CD1 LEU A 61 -14.429 -19.297 1.627 1.00 0.00 C ATOM 852 CD2 LEU A 61 -12.339 -18.308 2.580 1.00 0.00 C ATOM 0 H LEU A 61 -13.551 -21.389 5.924 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.647 -19.766 4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -13.902 -21.025 3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -14.586 -19.431 4.160 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.639 -20.360 2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -14.094 -19.003 0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -15.022 -20.209 1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -15.038 -18.501 2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -12.033 -18.027 1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -12.896 -17.487 3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -11.455 -18.522 3.181 1.00 0.00 H new ATOM 864 N ALA A 62 -11.884 -17.442 5.424 1.00 0.00 N ATOM 865 CA ALA A 62 -11.962 -16.075 5.925 1.00 0.00 C ATOM 866 C ALA A 62 -12.886 -15.225 5.060 1.00 0.00 C ATOM 867 O ALA A 62 -13.758 -14.522 5.570 1.00 0.00 O ATOM 868 CB ALA A 62 -10.574 -15.455 5.985 1.00 0.00 C ATOM 0 H ALA A 62 -11.025 -17.657 4.918 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.378 -16.107 6.932 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.647 -14.434 6.361 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.942 -16.042 6.651 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.137 -15.443 4.986 1.00 0.00 H new ATOM 874 N VAL A 63 -12.689 -15.294 3.747 1.00 0.00 N ATOM 875 CA VAL A 63 -13.505 -14.531 2.810 1.00 0.00 C ATOM 876 C VAL A 63 -14.249 -15.453 1.851 1.00 0.00 C ATOM 877 O VAL A 63 -13.696 -16.442 1.371 1.00 0.00 O ATOM 878 CB VAL A 63 -12.649 -13.543 1.995 1.00 0.00 C ATOM 879 CG1 VAL A 63 -13.513 -12.784 0.999 1.00 0.00 C ATOM 880 CG2 VAL A 63 -11.919 -12.582 2.921 1.00 0.00 C ATOM 0 H VAL A 63 -11.971 -15.871 3.308 1.00 0.00 H new ATOM 0 HA VAL A 63 -14.227 -13.970 3.404 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.904 -14.109 1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -12.891 -12.091 0.432 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.986 -13.489 0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -14.282 -12.227 1.535 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -11.319 -11.891 2.329 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.645 -12.020 3.508 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.269 -13.145 3.590 1.00 0.00 H new ATOM 890 N ALA A 64 -15.507 -15.122 1.576 1.00 0.00 N ATOM 891 CA ALA A 64 -16.326 -15.920 0.672 1.00 0.00 C ATOM 892 C ALA A 64 -15.604 -16.169 -0.647 1.00 0.00 C ATOM 893 O ALA A 64 -14.960 -15.273 -1.193 1.00 0.00 O ATOM 894 CB ALA A 64 -17.660 -15.232 0.424 1.00 0.00 C ATOM 0 H ALA A 64 -15.980 -14.307 1.966 1.00 0.00 H new ATOM 0 HA ALA A 64 -16.509 -16.886 1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -18.262 -15.838 -0.253 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.188 -15.111 1.370 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.487 -14.253 -0.023 1.00 0.00 H new ATOM 900 N ALA A 65 -15.715 -17.392 -1.155 1.00 0.00 N ATOM 901 CA ALA A 65 -15.073 -17.759 -2.411 1.00 0.00 C ATOM 902 C ALA A 65 -15.977 -18.659 -3.247 1.00 0.00 C ATOM 903 O ALA A 65 -17.036 -19.088 -2.789 1.00 0.00 O ATOM 904 CB ALA A 65 -13.742 -18.447 -2.143 1.00 0.00 C ATOM 0 H ALA A 65 -16.244 -18.146 -0.716 1.00 0.00 H new ATOM 0 HA ALA A 65 -14.890 -16.846 -2.977 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.274 -18.715 -3.090 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -13.087 -17.771 -1.593 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.910 -19.348 -1.553 1.00 0.00 H new ATOM 910 N ASP A 66 -15.552 -18.940 -4.474 1.00 0.00 N ATOM 911 CA ASP A 66 -16.323 -19.790 -5.374 1.00 0.00 C ATOM 912 C ASP A 66 -15.406 -20.721 -6.162 1.00 0.00 C ATOM 913 O ASP A 66 -14.190 -20.713 -5.974 1.00 0.00 O ATOM 914 CB ASP A 66 -17.150 -18.934 -6.335 1.00 0.00 C ATOM 915 CG ASP A 66 -16.475 -17.617 -6.662 1.00 0.00 C ATOM 916 OD1 ASP A 66 -15.239 -17.530 -6.512 1.00 0.00 O ATOM 917 OD2 ASP A 66 -17.184 -16.672 -7.068 1.00 0.00 O ATOM 0 H ASP A 66 -14.678 -18.592 -4.868 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.997 -20.399 -4.771 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.322 -19.490 -7.257 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -18.127 -18.739 -5.894 1.00 0.00 H new ATOM 922 N GLN A 67 -15.998 -21.521 -7.042 1.00 0.00 N ATOM 923 CA GLN A 67 -15.234 -22.458 -7.857 1.00 0.00 C ATOM 924 C GLN A 67 -14.336 -21.717 -8.842 1.00 0.00 C ATOM 925 O GLN A 67 -13.402 -22.292 -9.401 1.00 0.00 O ATOM 926 CB GLN A 67 -16.177 -23.395 -8.614 1.00 0.00 C ATOM 927 CG GLN A 67 -16.819 -22.756 -9.835 1.00 0.00 C ATOM 928 CD GLN A 67 -17.849 -21.705 -9.470 1.00 0.00 C ATOM 929 OE1 GLN A 67 -18.790 -21.975 -8.723 1.00 0.00 O ATOM 930 NE2 GLN A 67 -17.676 -20.499 -9.997 1.00 0.00 N ATOM 0 H GLN A 67 -17.004 -21.539 -7.209 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.603 -23.048 -7.192 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -15.623 -24.280 -8.927 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.961 -23.733 -7.936 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -16.044 -22.301 -10.452 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -17.293 -23.530 -10.438 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -16.882 -20.320 -10.611 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -18.338 -19.751 -9.788 1.00 0.00 H new ATOM 939 N THR A 68 -14.626 -20.436 -9.050 1.00 0.00 N ATOM 940 CA THR A 68 -13.846 -19.616 -9.969 1.00 0.00 C ATOM 941 C THR A 68 -12.627 -19.020 -9.274 1.00 0.00 C ATOM 942 O THR A 68 -11.815 -18.340 -9.901 1.00 0.00 O ATOM 943 CB THR A 68 -14.694 -18.475 -10.561 1.00 0.00 C ATOM 944 OG1 THR A 68 -13.984 -17.842 -11.632 1.00 0.00 O ATOM 945 CG2 THR A 68 -15.036 -17.445 -9.495 1.00 0.00 C ATOM 0 H THR A 68 -15.395 -19.944 -8.595 1.00 0.00 H new ATOM 0 HA THR A 68 -13.517 -20.271 -10.776 1.00 0.00 H new ATOM 0 HB THR A 68 -15.622 -18.902 -10.942 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.041 -17.739 -11.384 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.635 -16.649 -9.937 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.601 -17.923 -8.695 1.00 0.00 H new ATOM 0 HG23 THR A 68 -14.117 -17.024 -9.088 1.00 0.00 H new ATOM 953 N SER A 69 -12.504 -19.282 -7.977 1.00 0.00 N ATOM 954 CA SER A 69 -11.384 -18.768 -7.196 1.00 0.00 C ATOM 955 C SER A 69 -10.157 -19.661 -7.354 1.00 0.00 C ATOM 956 O SER A 69 -10.201 -20.855 -7.058 1.00 0.00 O ATOM 957 CB SER A 69 -11.769 -18.667 -5.719 1.00 0.00 C ATOM 958 OG SER A 69 -12.468 -17.463 -5.455 1.00 0.00 O ATOM 0 H SER A 69 -13.166 -19.847 -7.444 1.00 0.00 H new ATOM 0 HA SER A 69 -11.139 -17.774 -7.569 1.00 0.00 H new ATOM 0 HB2 SER A 69 -12.390 -19.519 -5.443 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.872 -18.713 -5.102 1.00 0.00 H new ATOM 0 HG SER A 69 -13.353 -17.499 -5.875 1.00 0.00 H new ATOM 964 N THR A 70 -9.062 -19.073 -7.825 1.00 0.00 N ATOM 965 CA THR A 70 -7.822 -19.813 -8.024 1.00 0.00 C ATOM 966 C THR A 70 -7.002 -19.868 -6.740 1.00 0.00 C ATOM 967 O THR A 70 -6.001 -20.580 -6.660 1.00 0.00 O ATOM 968 CB THR A 70 -6.966 -19.185 -9.140 1.00 0.00 C ATOM 969 OG1 THR A 70 -5.828 -20.012 -9.409 1.00 0.00 O ATOM 970 CG2 THR A 70 -6.504 -17.790 -8.748 1.00 0.00 C ATOM 0 H THR A 70 -9.009 -18.086 -8.076 1.00 0.00 H new ATOM 0 HA THR A 70 -8.102 -20.825 -8.317 1.00 0.00 H new ATOM 0 HB THR A 70 -7.579 -19.108 -10.038 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.568 -20.487 -8.592 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.901 -17.367 -9.552 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.372 -17.155 -8.573 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.907 -17.847 -7.838 1.00 0.00 H new ATOM 978 N THR A 71 -7.433 -19.111 -5.735 1.00 0.00 N ATOM 979 CA THR A 71 -6.738 -19.074 -4.454 1.00 0.00 C ATOM 980 C THR A 71 -7.701 -18.756 -3.316 1.00 0.00 C ATOM 981 O THR A 71 -8.399 -17.742 -3.344 1.00 0.00 O ATOM 982 CB THR A 71 -5.606 -18.030 -4.460 1.00 0.00 C ATOM 983 OG1 THR A 71 -4.767 -18.223 -5.605 1.00 0.00 O ATOM 984 CG2 THR A 71 -4.772 -18.129 -3.192 1.00 0.00 C ATOM 0 H THR A 71 -8.260 -18.516 -5.784 1.00 0.00 H new ATOM 0 HA THR A 71 -6.309 -20.064 -4.298 1.00 0.00 H new ATOM 0 HB THR A 71 -6.057 -17.038 -4.503 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.051 -17.554 -5.602 1.00 0.00 H new ATOM 0 HG21 THR A 71 -3.979 -17.382 -3.219 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.407 -17.953 -2.324 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.331 -19.124 -3.123 1.00 0.00 H new ATOM 992 N LEU A 72 -7.734 -19.629 -2.315 1.00 0.00 N ATOM 993 CA LEU A 72 -8.611 -19.440 -1.164 1.00 0.00 C ATOM 994 C LEU A 72 -7.820 -18.977 0.054 1.00 0.00 C ATOM 995 O LEU A 72 -6.713 -19.454 0.309 1.00 0.00 O ATOM 996 CB LEU A 72 -9.349 -20.741 -0.843 1.00 0.00 C ATOM 997 CG LEU A 72 -10.109 -21.386 -2.002 1.00 0.00 C ATOM 998 CD1 LEU A 72 -10.430 -22.839 -1.687 1.00 0.00 C ATOM 999 CD2 LEU A 72 -11.382 -20.610 -2.303 1.00 0.00 C ATOM 0 H LEU A 72 -7.164 -20.474 -2.277 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.339 -18.668 -1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.625 -21.462 -0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.055 -20.545 -0.036 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.474 -21.359 -2.887 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.971 -23.282 -2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.503 -23.389 -1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.046 -22.889 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.910 -21.084 -3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.022 -20.604 -1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.128 -19.585 -2.574 1.00 0.00 H new ATOM 1011 N THR A 73 -8.395 -18.044 0.807 1.00 0.00 N ATOM 1012 CA THR A 73 -7.744 -17.516 2.000 1.00 0.00 C ATOM 1013 C THR A 73 -8.494 -17.927 3.262 1.00 0.00 C ATOM 1014 O THR A 73 -9.409 -17.233 3.706 1.00 0.00 O ATOM 1015 CB THR A 73 -7.645 -15.979 1.952 1.00 0.00 C ATOM 1016 OG1 THR A 73 -6.976 -15.568 0.755 1.00 0.00 O ATOM 1017 CG2 THR A 73 -6.898 -15.448 3.166 1.00 0.00 C ATOM 0 H THR A 73 -9.310 -17.638 0.612 1.00 0.00 H new ATOM 0 HA THR A 73 -6.739 -17.937 2.025 1.00 0.00 H new ATOM 0 HB THR A 73 -8.656 -15.571 1.960 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.919 -14.590 0.732 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.840 -14.361 3.111 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.427 -15.738 4.074 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.891 -15.864 3.184 1.00 0.00 H new ATOM 1025 N PHE A 74 -8.099 -19.058 3.837 1.00 0.00 N ATOM 1026 CA PHE A 74 -8.734 -19.562 5.049 1.00 0.00 C ATOM 1027 C PHE A 74 -7.782 -19.474 6.238 1.00 0.00 C ATOM 1028 O PHE A 74 -6.564 -19.414 6.070 1.00 0.00 O ATOM 1029 CB PHE A 74 -9.187 -21.010 4.849 1.00 0.00 C ATOM 1030 CG PHE A 74 -8.056 -21.958 4.571 1.00 0.00 C ATOM 1031 CD1 PHE A 74 -7.491 -22.032 3.308 1.00 0.00 C ATOM 1032 CD2 PHE A 74 -7.558 -22.776 5.572 1.00 0.00 C ATOM 1033 CE1 PHE A 74 -6.450 -22.903 3.048 1.00 0.00 C ATOM 1034 CE2 PHE A 74 -6.517 -23.649 5.318 1.00 0.00 C ATOM 1035 CZ PHE A 74 -5.963 -23.714 4.055 1.00 0.00 C ATOM 0 H PHE A 74 -7.342 -19.643 3.483 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.606 -18.942 5.258 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.719 -21.343 5.741 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.896 -21.050 4.022 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.869 -21.401 2.517 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.988 -22.731 6.562 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -6.018 -22.950 2.059 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.137 -24.280 6.108 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.151 -24.397 3.855 1.00 0.00 H new ATOM 1045 N TYR A 75 -8.347 -19.466 7.441 1.00 0.00 N ATOM 1046 CA TYR A 75 -7.550 -19.382 8.659 1.00 0.00 C ATOM 1047 C TYR A 75 -6.743 -20.660 8.871 1.00 0.00 C ATOM 1048 O TYR A 75 -6.952 -21.661 8.186 1.00 0.00 O ATOM 1049 CB TYR A 75 -8.453 -19.130 9.868 1.00 0.00 C ATOM 1050 CG TYR A 75 -8.818 -17.675 10.057 1.00 0.00 C ATOM 1051 CD1 TYR A 75 -7.941 -16.794 10.679 1.00 0.00 C ATOM 1052 CD2 TYR A 75 -10.039 -17.181 9.616 1.00 0.00 C ATOM 1053 CE1 TYR A 75 -8.271 -15.464 10.855 1.00 0.00 C ATOM 1054 CE2 TYR A 75 -10.376 -15.853 9.787 1.00 0.00 C ATOM 1055 CZ TYR A 75 -9.489 -14.998 10.407 1.00 0.00 C ATOM 1056 OH TYR A 75 -9.822 -13.674 10.580 1.00 0.00 O ATOM 0 H TYR A 75 -9.354 -19.517 7.598 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.856 -18.548 8.552 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -9.367 -19.714 9.757 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.952 -19.490 10.767 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -6.986 -17.155 11.031 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -10.737 -17.847 9.131 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.578 -14.793 11.341 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -11.329 -15.486 9.437 1.00 0.00 H new ATOM 0 HH TYR A 75 -10.713 -13.509 10.207 1.00 0.00 H new ATOM 1066 N LYS A 76 -5.820 -20.617 9.825 1.00 0.00 N ATOM 1067 CA LYS A 76 -4.981 -21.769 10.131 1.00 0.00 C ATOM 1068 C LYS A 76 -5.212 -22.246 11.561 1.00 0.00 C ATOM 1069 O LYS A 76 -5.243 -23.448 11.828 1.00 0.00 O ATOM 1070 CB LYS A 76 -3.505 -21.419 9.932 1.00 0.00 C ATOM 1071 CG LYS A 76 -2.986 -20.387 10.918 1.00 0.00 C ATOM 1072 CD LYS A 76 -2.422 -21.044 12.167 1.00 0.00 C ATOM 1073 CE LYS A 76 -1.046 -21.639 11.911 1.00 0.00 C ATOM 1074 NZ LYS A 76 -0.612 -22.531 13.022 1.00 0.00 N ATOM 0 H LYS A 76 -5.634 -19.796 10.400 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.252 -22.575 9.449 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.910 -22.327 10.023 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.363 -21.044 8.918 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.213 -19.784 10.442 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.793 -19.709 11.195 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.358 -20.309 12.969 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.101 -21.827 12.506 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.062 -22.202 10.978 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.320 -20.835 11.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.330 -22.917 12.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.572 -21.988 13.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.291 -23.312 13.125 1.00 0.00 H new ATOM 1088 N SER A 77 -5.376 -21.297 12.478 1.00 0.00 N ATOM 1089 CA SER A 77 -5.602 -21.621 13.881 1.00 0.00 C ATOM 1090 C SER A 77 -6.256 -20.451 14.610 1.00 0.00 C ATOM 1091 O SER A 77 -6.379 -19.355 14.064 1.00 0.00 O ATOM 1092 CB SER A 77 -4.282 -21.986 14.562 1.00 0.00 C ATOM 1093 OG SER A 77 -4.453 -22.135 15.961 1.00 0.00 O ATOM 0 H SER A 77 -5.356 -20.298 12.274 1.00 0.00 H new ATOM 0 HA SER A 77 -6.275 -22.477 13.926 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.895 -22.913 14.139 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.541 -21.212 14.364 1.00 0.00 H new ATOM 0 HG SER A 77 -5.033 -22.905 16.140 1.00 0.00 H new ATOM 1099 N GLY A 78 -6.674 -20.692 15.849 1.00 0.00 N ATOM 1100 CA GLY A 78 -7.311 -19.650 16.633 1.00 0.00 C ATOM 1101 C GLY A 78 -8.708 -20.033 17.080 1.00 0.00 C ATOM 1102 O GLY A 78 -9.372 -20.849 16.440 1.00 0.00 O ATOM 0 H GLY A 78 -6.583 -21.590 16.324 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.699 -19.433 17.509 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.360 -18.734 16.044 1.00 0.00 H new ATOM 1106 N THR A 79 -9.157 -19.443 18.184 1.00 0.00 N ATOM 1107 CA THR A 79 -10.483 -19.728 18.718 1.00 0.00 C ATOM 1108 C THR A 79 -11.570 -19.088 17.862 1.00 0.00 C ATOM 1109 O THR A 79 -11.621 -17.867 17.717 1.00 0.00 O ATOM 1110 CB THR A 79 -10.625 -19.226 20.167 1.00 0.00 C ATOM 1111 OG1 THR A 79 -9.522 -19.687 20.956 1.00 0.00 O ATOM 1112 CG2 THR A 79 -11.930 -19.707 20.781 1.00 0.00 C ATOM 0 H THR A 79 -8.621 -18.765 18.726 1.00 0.00 H new ATOM 0 HA THR A 79 -10.603 -20.811 18.703 1.00 0.00 H new ATOM 0 HB THR A 79 -10.629 -18.136 20.151 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.619 -19.362 21.875 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.008 -19.340 21.804 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.768 -19.330 20.196 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.951 -20.797 20.784 1.00 0.00 H new ATOM 1120 N PHE A 80 -12.438 -19.921 17.296 1.00 0.00 N ATOM 1121 CA PHE A 80 -13.524 -19.436 16.454 1.00 0.00 C ATOM 1122 C PHE A 80 -14.880 -19.756 17.077 1.00 0.00 C ATOM 1123 O PHE A 80 -15.111 -20.869 17.550 1.00 0.00 O ATOM 1124 CB PHE A 80 -13.432 -20.057 15.058 1.00 0.00 C ATOM 1125 CG PHE A 80 -12.220 -19.620 14.287 1.00 0.00 C ATOM 1126 CD1 PHE A 80 -12.262 -18.490 13.486 1.00 0.00 C ATOM 1127 CD2 PHE A 80 -11.038 -20.339 14.363 1.00 0.00 C ATOM 1128 CE1 PHE A 80 -11.148 -18.087 12.774 1.00 0.00 C ATOM 1129 CE2 PHE A 80 -9.921 -19.941 13.653 1.00 0.00 C ATOM 1130 CZ PHE A 80 -9.976 -18.812 12.859 1.00 0.00 C ATOM 0 H PHE A 80 -12.410 -20.935 17.406 1.00 0.00 H new ATOM 0 HA PHE A 80 -13.429 -18.353 16.370 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.421 -21.143 15.152 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.326 -19.795 14.493 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -13.175 -17.918 13.417 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -10.989 -21.221 14.984 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.194 -17.206 12.152 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -9.007 -20.512 13.719 1.00 0.00 H new ATOM 0 HZ PHE A 80 -9.104 -18.497 12.306 1.00 0.00 H new ATOM 1140 N ARG A 81 -15.773 -18.771 17.073 1.00 0.00 N ATOM 1141 CA ARG A 81 -17.105 -18.947 17.639 1.00 0.00 C ATOM 1142 C ARG A 81 -17.916 -19.948 16.822 1.00 0.00 C ATOM 1143 O ARG A 81 -18.019 -19.828 15.600 1.00 0.00 O ATOM 1144 CB ARG A 81 -17.839 -17.605 17.697 1.00 0.00 C ATOM 1145 CG ARG A 81 -17.513 -16.785 18.934 1.00 0.00 C ATOM 1146 CD ARG A 81 -16.266 -15.940 18.730 1.00 0.00 C ATOM 1147 NE ARG A 81 -16.431 -14.973 17.648 1.00 0.00 N ATOM 1148 CZ ARG A 81 -15.581 -13.981 17.412 1.00 0.00 C ATOM 1149 NH1 ARG A 81 -14.510 -13.825 18.179 1.00 0.00 N ATOM 1150 NH2 ARG A 81 -15.799 -13.142 16.408 1.00 0.00 N ATOM 0 H ARG A 81 -15.598 -17.844 16.685 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.994 -19.337 18.651 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -17.587 -17.024 16.810 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -18.913 -17.786 17.665 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -18.356 -16.138 19.176 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -17.368 -17.450 19.785 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -16.030 -15.413 19.654 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -15.420 -16.590 18.509 1.00 0.00 H new ATOM 0 HE ARG A 81 -17.245 -15.065 17.040 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -14.338 -14.468 18.952 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -13.858 -13.062 17.996 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -16.621 -13.258 15.815 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -15.145 -12.380 16.228 1.00 0.00 H new ATOM 1164 N TYR A 82 -18.489 -20.934 17.503 1.00 0.00 N ATOM 1165 CA TYR A 82 -19.288 -21.957 16.839 1.00 0.00 C ATOM 1166 C TYR A 82 -20.672 -21.422 16.484 1.00 0.00 C ATOM 1167 O TYR A 82 -21.196 -21.694 15.404 1.00 0.00 O ATOM 1168 CB TYR A 82 -19.420 -23.190 17.734 1.00 0.00 C ATOM 1169 CG TYR A 82 -20.496 -24.153 17.284 1.00 0.00 C ATOM 1170 CD1 TYR A 82 -21.839 -23.802 17.345 1.00 0.00 C ATOM 1171 CD2 TYR A 82 -20.169 -25.412 16.797 1.00 0.00 C ATOM 1172 CE1 TYR A 82 -22.825 -24.679 16.936 1.00 0.00 C ATOM 1173 CE2 TYR A 82 -21.149 -26.295 16.384 1.00 0.00 C ATOM 1174 CZ TYR A 82 -22.475 -25.924 16.456 1.00 0.00 C ATOM 1175 OH TYR A 82 -23.454 -26.799 16.045 1.00 0.00 O ATOM 0 H TYR A 82 -18.415 -21.047 18.514 1.00 0.00 H new ATOM 0 HA TYR A 82 -18.780 -22.238 15.917 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -18.464 -23.713 17.761 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -19.636 -22.868 18.753 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -22.117 -22.827 17.718 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -19.131 -25.706 16.740 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -23.864 -24.391 16.992 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -20.878 -27.270 16.007 1.00 0.00 H new ATOM 0 HH TYR A 82 -23.860 -26.469 15.216 1.00 0.00 H new ATOM 1185 N GLU A 83 -21.258 -20.659 17.402 1.00 0.00 N ATOM 1186 CA GLU A 83 -22.582 -20.086 17.186 1.00 0.00 C ATOM 1187 C GLU A 83 -22.610 -19.248 15.911 1.00 0.00 C ATOM 1188 O GLU A 83 -23.637 -19.158 15.237 1.00 0.00 O ATOM 1189 CB GLU A 83 -22.991 -19.226 18.383 1.00 0.00 C ATOM 1190 CG GLU A 83 -22.098 -18.015 18.597 1.00 0.00 C ATOM 1191 CD GLU A 83 -22.223 -17.437 19.993 1.00 0.00 C ATOM 1192 OE1 GLU A 83 -22.240 -18.224 20.962 1.00 0.00 O ATOM 1193 OE2 GLU A 83 -22.303 -16.197 20.115 1.00 0.00 O ATOM 0 H GLU A 83 -20.838 -20.424 18.301 1.00 0.00 H new ATOM 0 HA GLU A 83 -23.292 -20.906 17.077 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -24.018 -18.889 18.243 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -22.977 -19.841 19.283 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -21.061 -18.297 18.416 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -22.352 -17.247 17.866 1.00 0.00 H new ATOM 1200 N ASP A 84 -21.477 -18.637 15.586 1.00 0.00 N ATOM 1201 CA ASP A 84 -21.370 -17.807 14.392 1.00 0.00 C ATOM 1202 C ASP A 84 -21.109 -18.663 13.156 1.00 0.00 C ATOM 1203 O ASP A 84 -21.802 -18.541 12.146 1.00 0.00 O ATOM 1204 CB ASP A 84 -20.253 -16.776 14.559 1.00 0.00 C ATOM 1205 CG ASP A 84 -20.341 -15.656 13.541 1.00 0.00 C ATOM 1206 OD1 ASP A 84 -21.463 -15.167 13.294 1.00 0.00 O ATOM 1207 OD2 ASP A 84 -19.289 -15.269 12.991 1.00 0.00 O ATOM 0 H ASP A 84 -20.619 -18.701 16.133 1.00 0.00 H new ATOM 0 HA ASP A 84 -22.317 -17.285 14.257 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -20.299 -16.355 15.563 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -19.287 -17.273 14.466 1.00 0.00 H new ATOM 1212 N VAL A 85 -20.104 -19.529 13.244 1.00 0.00 N ATOM 1213 CA VAL A 85 -19.751 -20.405 12.134 1.00 0.00 C ATOM 1214 C VAL A 85 -20.993 -21.039 11.518 1.00 0.00 C ATOM 1215 O VAL A 85 -21.796 -21.663 12.214 1.00 0.00 O ATOM 1216 CB VAL A 85 -18.789 -21.520 12.583 1.00 0.00 C ATOM 1217 CG1 VAL A 85 -18.446 -22.433 11.415 1.00 0.00 C ATOM 1218 CG2 VAL A 85 -17.529 -20.923 13.191 1.00 0.00 C ATOM 0 H VAL A 85 -19.520 -19.642 14.073 1.00 0.00 H new ATOM 0 HA VAL A 85 -19.254 -19.785 11.388 1.00 0.00 H new ATOM 0 HB VAL A 85 -19.286 -22.118 13.347 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -17.765 -23.215 11.752 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -19.358 -22.888 11.029 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -17.969 -21.851 10.626 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.860 -21.725 13.503 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -17.028 -20.300 12.450 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -17.795 -20.315 14.056 1.00 0.00 H new ATOM 1228 N LEU A 86 -21.146 -20.877 10.208 1.00 0.00 N ATOM 1229 CA LEU A 86 -22.291 -21.434 9.496 1.00 0.00 C ATOM 1230 C LEU A 86 -21.986 -22.840 8.990 1.00 0.00 C ATOM 1231 O LEU A 86 -21.705 -23.036 7.807 1.00 0.00 O ATOM 1232 CB LEU A 86 -22.677 -20.529 8.325 1.00 0.00 C ATOM 1233 CG LEU A 86 -23.962 -20.903 7.584 1.00 0.00 C ATOM 1234 CD1 LEU A 86 -25.180 -20.613 8.447 1.00 0.00 C ATOM 1235 CD2 LEU A 86 -24.052 -20.153 6.262 1.00 0.00 C ATOM 0 H LEU A 86 -20.491 -20.364 9.617 1.00 0.00 H new ATOM 0 HA LEU A 86 -23.128 -21.493 10.192 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -22.779 -19.510 8.698 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -21.856 -20.525 7.608 1.00 0.00 H new ATOM 0 HG LEU A 86 -23.939 -21.972 7.372 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -26.084 -20.885 7.903 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -25.121 -21.194 9.367 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -25.209 -19.551 8.690 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -24.972 -20.431 5.748 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -24.052 -19.080 6.452 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -23.196 -20.411 5.638 1.00 0.00 H new ATOM 1247 N TRP A 87 -22.045 -23.813 9.891 1.00 0.00 N ATOM 1248 CA TRP A 87 -21.777 -25.202 9.534 1.00 0.00 C ATOM 1249 C TRP A 87 -22.800 -25.712 8.525 1.00 0.00 C ATOM 1250 O TRP A 87 -23.945 -25.263 8.485 1.00 0.00 O ATOM 1251 CB TRP A 87 -21.793 -26.083 10.784 1.00 0.00 C ATOM 1252 CG TRP A 87 -21.000 -25.514 11.922 1.00 0.00 C ATOM 1253 CD1 TRP A 87 -21.421 -24.586 12.831 1.00 0.00 C ATOM 1254 CD2 TRP A 87 -19.650 -25.836 12.271 1.00 0.00 C ATOM 1255 NE1 TRP A 87 -20.414 -24.311 13.723 1.00 0.00 N ATOM 1256 CE2 TRP A 87 -19.317 -25.065 13.402 1.00 0.00 C ATOM 1257 CE3 TRP A 87 -18.690 -26.701 11.739 1.00 0.00 C ATOM 1258 CZ2 TRP A 87 -18.065 -25.135 14.008 1.00 0.00 C ATOM 1259 CZ3 TRP A 87 -17.448 -26.769 12.341 1.00 0.00 C ATOM 1260 CH2 TRP A 87 -17.144 -25.990 13.466 1.00 0.00 C ATOM 0 H TRP A 87 -22.276 -23.667 10.874 1.00 0.00 H new ATOM 0 HA TRP A 87 -20.789 -25.249 9.077 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -22.825 -26.227 11.105 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -21.398 -27.067 10.531 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -22.402 -24.135 12.846 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -20.473 -23.652 14.499 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -18.915 -27.306 10.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -17.829 -24.536 14.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -16.699 -27.434 11.938 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -16.164 -26.066 13.914 1.00 0.00 H new ATOM 1271 N PRO A 88 -22.379 -26.672 7.688 1.00 0.00 N ATOM 1272 CA PRO A 88 -23.244 -27.264 6.664 1.00 0.00 C ATOM 1273 C PRO A 88 -24.344 -28.133 7.265 1.00 0.00 C ATOM 1274 O PRO A 88 -24.148 -28.768 8.300 1.00 0.00 O ATOM 1275 CB PRO A 88 -22.281 -28.118 5.836 1.00 0.00 C ATOM 1276 CG PRO A 88 -21.166 -28.443 6.769 1.00 0.00 C ATOM 1277 CD PRO A 88 -21.027 -27.254 7.679 1.00 0.00 C ATOM 0 HA PRO A 88 -23.767 -26.504 6.084 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -22.768 -29.022 5.471 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -21.921 -27.575 4.962 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -21.384 -29.347 7.338 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.241 -28.626 6.223 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.710 -27.548 8.679 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.287 -26.546 7.305 1.00 0.00 H new ATOM 1285 N GLU A 89 -25.500 -28.155 6.608 1.00 0.00 N ATOM 1286 CA GLU A 89 -26.630 -28.947 7.079 1.00 0.00 C ATOM 1287 C GLU A 89 -26.274 -30.430 7.126 1.00 0.00 C ATOM 1288 O GLU A 89 -26.705 -31.155 8.022 1.00 0.00 O ATOM 1289 CB GLU A 89 -27.845 -28.731 6.175 1.00 0.00 C ATOM 1290 CG GLU A 89 -27.611 -29.144 4.732 1.00 0.00 C ATOM 1291 CD GLU A 89 -26.811 -28.118 3.953 1.00 0.00 C ATOM 1292 OE1 GLU A 89 -27.350 -27.024 3.684 1.00 0.00 O ATOM 1293 OE2 GLU A 89 -25.645 -28.410 3.612 1.00 0.00 O ATOM 0 H GLU A 89 -25.678 -27.634 5.749 1.00 0.00 H new ATOM 0 HA GLU A 89 -26.875 -28.618 8.089 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -28.688 -29.295 6.573 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -28.125 -27.678 6.202 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -27.086 -30.099 4.712 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -28.572 -29.298 4.242 1.00 0.00 H new ATOM 1300 N ALA A 90 -25.486 -30.874 6.152 1.00 0.00 N ATOM 1301 CA ALA A 90 -25.070 -32.269 6.082 1.00 0.00 C ATOM 1302 C ALA A 90 -24.867 -32.853 7.476 1.00 0.00 C ATOM 1303 O ALA A 90 -25.270 -33.982 7.751 1.00 0.00 O ATOM 1304 CB ALA A 90 -23.795 -32.400 5.262 1.00 0.00 C ATOM 0 H ALA A 90 -25.123 -30.287 5.401 1.00 0.00 H new ATOM 0 HA ALA A 90 -25.863 -32.834 5.592 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -23.496 -33.447 5.219 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -23.973 -32.031 4.252 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -23.001 -31.816 5.727 1.00 0.00 H new ATOM 1310 N ALA A 91 -24.239 -32.075 8.352 1.00 0.00 N ATOM 1311 CA ALA A 91 -23.984 -32.514 9.718 1.00 0.00 C ATOM 1312 C ALA A 91 -25.271 -32.541 10.536 1.00 0.00 C ATOM 1313 O ALA A 91 -25.760 -31.501 10.975 1.00 0.00 O ATOM 1314 CB ALA A 91 -22.954 -31.610 10.380 1.00 0.00 C ATOM 0 H ALA A 91 -23.898 -31.138 8.140 1.00 0.00 H new ATOM 0 HA ALA A 91 -23.588 -33.529 9.679 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -22.774 -31.950 11.400 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -22.022 -31.646 9.815 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -23.328 -30.586 10.400 1.00 0.00 H new ATOM 1320 N SER A 92 -25.814 -33.737 10.736 1.00 0.00 N ATOM 1321 CA SER A 92 -27.047 -33.899 11.497 1.00 0.00 C ATOM 1322 C SER A 92 -26.779 -33.791 12.995 1.00 0.00 C ATOM 1323 O SER A 92 -27.651 -33.390 13.766 1.00 0.00 O ATOM 1324 CB SER A 92 -27.695 -35.248 11.180 1.00 0.00 C ATOM 1325 OG SER A 92 -26.762 -36.306 11.316 1.00 0.00 O ATOM 0 H SER A 92 -25.420 -34.608 10.382 1.00 0.00 H new ATOM 0 HA SER A 92 -27.730 -33.100 11.208 1.00 0.00 H new ATOM 0 HB2 SER A 92 -28.540 -35.415 11.848 1.00 0.00 H new ATOM 0 HB3 SER A 92 -28.090 -35.236 10.164 1.00 0.00 H new ATOM 0 HG SER A 92 -27.201 -37.158 11.110 1.00 0.00 H new ATOM 1331 N ASP A 93 -25.566 -34.152 13.400 1.00 0.00 N ATOM 1332 CA ASP A 93 -25.181 -34.095 14.805 1.00 0.00 C ATOM 1333 C ASP A 93 -24.366 -32.838 15.095 1.00 0.00 C ATOM 1334 O ASP A 93 -23.424 -32.518 14.371 1.00 0.00 O ATOM 1335 CB ASP A 93 -24.376 -35.338 15.186 1.00 0.00 C ATOM 1336 CG ASP A 93 -24.373 -35.591 16.681 1.00 0.00 C ATOM 1337 OD1 ASP A 93 -23.793 -34.768 17.420 1.00 0.00 O ATOM 1338 OD2 ASP A 93 -24.949 -36.611 17.111 1.00 0.00 O ATOM 0 H ASP A 93 -24.833 -34.487 12.775 1.00 0.00 H new ATOM 0 HA ASP A 93 -26.091 -34.063 15.404 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -24.791 -36.207 14.674 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -23.349 -35.223 14.838 1.00 0.00 H new ATOM 1343 N GLU A 94 -24.737 -32.130 16.157 1.00 0.00 N ATOM 1344 CA GLU A 94 -24.042 -30.907 16.540 1.00 0.00 C ATOM 1345 C GLU A 94 -22.589 -31.199 16.905 1.00 0.00 C ATOM 1346 O GLU A 94 -21.702 -30.376 16.678 1.00 0.00 O ATOM 1347 CB GLU A 94 -24.751 -30.239 17.720 1.00 0.00 C ATOM 1348 CG GLU A 94 -24.647 -31.023 19.017 1.00 0.00 C ATOM 1349 CD GLU A 94 -25.103 -30.222 20.221 1.00 0.00 C ATOM 1350 OE1 GLU A 94 -24.806 -29.011 20.275 1.00 0.00 O ATOM 1351 OE2 GLU A 94 -25.757 -30.808 21.109 1.00 0.00 O ATOM 0 H GLU A 94 -25.515 -32.382 16.767 1.00 0.00 H new ATOM 0 HA GLU A 94 -24.056 -30.229 15.686 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -24.329 -29.246 17.871 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -25.803 -30.103 17.471 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -25.248 -31.929 18.939 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -23.614 -31.338 19.165 1.00 0.00 H new ATOM 1358 N THR A 95 -22.354 -32.377 17.475 1.00 0.00 N ATOM 1359 CA THR A 95 -21.010 -32.778 17.874 1.00 0.00 C ATOM 1360 C THR A 95 -20.153 -33.113 16.659 1.00 0.00 C ATOM 1361 O THR A 95 -18.924 -33.098 16.730 1.00 0.00 O ATOM 1362 CB THR A 95 -21.044 -33.997 18.815 1.00 0.00 C ATOM 1363 OG1 THR A 95 -21.902 -33.730 19.931 1.00 0.00 O ATOM 1364 CG2 THR A 95 -19.647 -34.335 19.313 1.00 0.00 C ATOM 0 H THR A 95 -23.077 -33.070 17.671 1.00 0.00 H new ATOM 0 HA THR A 95 -20.571 -31.932 18.403 1.00 0.00 H new ATOM 0 HB THR A 95 -21.430 -34.850 18.256 1.00 0.00 H new ATOM 0 HG1 THR A 95 -21.920 -34.510 20.524 1.00 0.00 H new ATOM 0 HG21 THR A 95 -19.696 -35.199 19.976 1.00 0.00 H new ATOM 0 HG22 THR A 95 -19.004 -34.565 18.464 1.00 0.00 H new ATOM 0 HG23 THR A 95 -19.239 -33.483 19.857 1.00 0.00 H new ATOM 1372 N LYS A 96 -20.808 -33.415 15.543 1.00 0.00 N ATOM 1373 CA LYS A 96 -20.106 -33.751 14.310 1.00 0.00 C ATOM 1374 C LYS A 96 -19.452 -32.515 13.701 1.00 0.00 C ATOM 1375 O LYS A 96 -18.397 -32.604 13.072 1.00 0.00 O ATOM 1376 CB LYS A 96 -21.074 -34.378 13.303 1.00 0.00 C ATOM 1377 CG LYS A 96 -20.562 -34.355 11.873 1.00 0.00 C ATOM 1378 CD LYS A 96 -19.411 -35.329 11.678 1.00 0.00 C ATOM 1379 CE LYS A 96 -18.462 -34.857 10.587 1.00 0.00 C ATOM 1380 NZ LYS A 96 -17.430 -33.922 11.117 1.00 0.00 N ATOM 0 H LYS A 96 -21.825 -33.434 15.467 1.00 0.00 H new ATOM 0 HA LYS A 96 -19.324 -34.471 14.551 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -21.270 -35.410 13.594 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -22.026 -33.848 13.348 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -21.374 -34.608 11.191 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -20.234 -33.347 11.619 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -18.864 -35.440 12.614 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -19.804 -36.312 11.420 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -17.973 -35.719 10.133 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -19.031 -34.362 9.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.845 -33.570 10.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -17.897 -33.121 11.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -16.827 -34.422 11.801 1.00 0.00 H new ATOM 1394 N LYS A 97 -20.083 -31.362 13.894 1.00 0.00 N ATOM 1395 CA LYS A 97 -19.561 -30.107 13.367 1.00 0.00 C ATOM 1396 C LYS A 97 -18.489 -29.533 14.288 1.00 0.00 C ATOM 1397 O LYS A 97 -17.349 -29.323 13.873 1.00 0.00 O ATOM 1398 CB LYS A 97 -20.695 -29.093 13.193 1.00 0.00 C ATOM 1399 CG LYS A 97 -21.916 -29.660 12.489 1.00 0.00 C ATOM 1400 CD LYS A 97 -23.052 -28.652 12.445 1.00 0.00 C ATOM 1401 CE LYS A 97 -24.007 -28.836 13.614 1.00 0.00 C ATOM 1402 NZ LYS A 97 -25.299 -28.130 13.392 1.00 0.00 N ATOM 0 H LYS A 97 -20.957 -31.271 14.412 1.00 0.00 H new ATOM 0 HA LYS A 97 -19.109 -30.310 12.396 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -20.992 -28.721 14.174 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -20.324 -28.239 12.627 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -21.649 -29.953 11.474 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -22.248 -30.562 13.004 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -22.644 -27.641 12.463 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -23.598 -28.759 11.508 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -24.195 -29.899 13.765 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -23.541 -28.462 14.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -25.922 -28.280 14.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -25.122 -27.112 13.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -25.756 -28.504 12.536 1.00 0.00 H new ATOM 1416 N ARG A 98 -18.862 -29.284 15.539 1.00 0.00 N ATOM 1417 CA ARG A 98 -17.931 -28.736 16.518 1.00 0.00 C ATOM 1418 C ARG A 98 -16.691 -29.616 16.642 1.00 0.00 C ATOM 1419 O ARG A 98 -15.620 -29.148 17.029 1.00 0.00 O ATOM 1420 CB ARG A 98 -18.613 -28.601 17.881 1.00 0.00 C ATOM 1421 CG ARG A 98 -19.346 -29.858 18.322 1.00 0.00 C ATOM 1422 CD ARG A 98 -20.586 -29.522 19.136 1.00 0.00 C ATOM 1423 NE ARG A 98 -20.316 -28.508 20.151 1.00 0.00 N ATOM 1424 CZ ARG A 98 -21.149 -28.225 21.147 1.00 0.00 C ATOM 1425 NH1 ARG A 98 -22.298 -28.877 21.260 1.00 0.00 N ATOM 1426 NH2 ARG A 98 -20.833 -27.288 22.032 1.00 0.00 N ATOM 0 H ARG A 98 -19.802 -29.453 15.898 1.00 0.00 H new ATOM 0 HA ARG A 98 -17.621 -27.749 16.175 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -17.863 -28.346 18.630 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -19.320 -27.772 17.844 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -19.631 -30.441 17.446 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -18.677 -30.481 18.916 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -21.372 -29.167 18.469 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -20.960 -30.426 19.617 1.00 0.00 H new ATOM 0 HE ARG A 98 -19.440 -27.988 20.092 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -22.544 -29.598 20.582 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -22.936 -28.658 22.025 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -19.950 -26.784 21.948 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -21.473 -27.072 22.796 1.00 0.00 H new ATOM 1440 N THR A 99 -16.844 -30.895 16.312 1.00 0.00 N ATOM 1441 CA THR A 99 -15.738 -31.841 16.388 1.00 0.00 C ATOM 1442 C THR A 99 -15.046 -31.988 15.038 1.00 0.00 C ATOM 1443 O THR A 99 -14.264 -32.914 14.828 1.00 0.00 O ATOM 1444 CB THR A 99 -16.216 -33.227 16.860 1.00 0.00 C ATOM 1445 OG1 THR A 99 -16.908 -33.108 18.108 1.00 0.00 O ATOM 1446 CG2 THR A 99 -15.041 -34.181 17.016 1.00 0.00 C ATOM 0 H THR A 99 -17.723 -31.299 15.990 1.00 0.00 H new ATOM 0 HA THR A 99 -15.030 -31.442 17.114 1.00 0.00 H new ATOM 0 HB THR A 99 -16.893 -33.629 16.106 1.00 0.00 H new ATOM 0 HG1 THR A 99 -17.784 -32.695 17.958 1.00 0.00 H new ATOM 0 HG21 THR A 99 -15.404 -35.153 17.350 1.00 0.00 H new ATOM 0 HG22 THR A 99 -14.533 -34.293 16.058 1.00 0.00 H new ATOM 0 HG23 THR A 99 -14.343 -33.781 17.752 1.00 0.00 H new ATOM 1454 N ALA A 100 -15.339 -31.067 14.125 1.00 0.00 N ATOM 1455 CA ALA A 100 -14.742 -31.093 12.795 1.00 0.00 C ATOM 1456 C ALA A 100 -13.270 -30.698 12.847 1.00 0.00 C ATOM 1457 O ALA A 100 -12.491 -31.053 11.962 1.00 0.00 O ATOM 1458 CB ALA A 100 -15.505 -30.170 11.857 1.00 0.00 C ATOM 0 H ALA A 100 -15.986 -30.294 14.282 1.00 0.00 H new ATOM 0 HA ALA A 100 -14.805 -32.113 12.415 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -15.049 -30.199 10.867 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -16.542 -30.498 11.788 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -15.471 -29.151 12.242 1.00 0.00 H new ATOM 1464 N PHE A 101 -12.895 -29.963 13.888 1.00 0.00 N ATOM 1465 CA PHE A 101 -11.516 -29.518 14.053 1.00 0.00 C ATOM 1466 C PHE A 101 -10.818 -30.309 15.156 1.00 0.00 C ATOM 1467 O PHE A 101 -9.940 -29.792 15.845 1.00 0.00 O ATOM 1468 CB PHE A 101 -11.475 -28.024 14.378 1.00 0.00 C ATOM 1469 CG PHE A 101 -11.932 -27.151 13.244 1.00 0.00 C ATOM 1470 CD1 PHE A 101 -11.159 -27.014 12.102 1.00 0.00 C ATOM 1471 CD2 PHE A 101 -13.135 -26.468 13.320 1.00 0.00 C ATOM 1472 CE1 PHE A 101 -11.578 -26.212 11.057 1.00 0.00 C ATOM 1473 CE2 PHE A 101 -13.559 -25.665 12.278 1.00 0.00 C ATOM 1474 CZ PHE A 101 -12.779 -25.536 11.146 1.00 0.00 C ATOM 0 H PHE A 101 -13.527 -29.663 14.630 1.00 0.00 H new ATOM 0 HA PHE A 101 -10.989 -29.693 13.115 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -12.102 -27.832 15.249 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.457 -27.748 14.651 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.219 -27.540 12.028 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -13.749 -26.564 14.204 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -10.967 -26.114 10.172 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -14.500 -25.139 12.349 1.00 0.00 H new ATOM 0 HZ PHE A 101 -13.108 -24.907 10.331 1.00 0.00 H new ATOM 1484 N ALA A 102 -11.217 -31.567 15.317 1.00 0.00 N ATOM 1485 CA ALA A 102 -10.630 -32.430 16.334 1.00 0.00 C ATOM 1486 C ALA A 102 -9.222 -32.863 15.941 1.00 0.00 C ATOM 1487 O ALA A 102 -9.016 -33.451 14.880 1.00 0.00 O ATOM 1488 CB ALA A 102 -11.513 -33.648 16.566 1.00 0.00 C ATOM 0 H ALA A 102 -11.944 -32.010 14.756 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.561 -31.862 17.262 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -11.063 -34.284 17.328 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.499 -33.324 16.900 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.611 -34.209 15.637 1.00 0.00 H new ATOM 1494 N GLY A 103 -8.254 -32.566 16.803 1.00 0.00 N ATOM 1495 CA GLY A 103 -6.877 -32.931 16.527 1.00 0.00 C ATOM 1496 C GLY A 103 -6.179 -31.926 15.633 1.00 0.00 C ATOM 1497 O GLY A 103 -5.194 -32.252 14.969 1.00 0.00 O ATOM 0 H GLY A 103 -8.399 -32.079 17.687 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.332 -33.017 17.467 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.852 -33.912 16.054 1.00 0.00 H new ATOM 1501 N THR A 104 -6.691 -30.699 15.612 1.00 0.00 N ATOM 1502 CA THR A 104 -6.112 -29.644 14.790 1.00 0.00 C ATOM 1503 C THR A 104 -5.741 -28.430 15.634 1.00 0.00 C ATOM 1504 O THR A 104 -6.190 -28.293 16.772 1.00 0.00 O ATOM 1505 CB THR A 104 -7.082 -29.203 13.677 1.00 0.00 C ATOM 1506 OG1 THR A 104 -8.238 -28.584 14.251 1.00 0.00 O ATOM 1507 CG2 THR A 104 -7.506 -30.391 12.827 1.00 0.00 C ATOM 0 H THR A 104 -7.505 -30.412 16.155 1.00 0.00 H new ATOM 0 HA THR A 104 -5.211 -30.056 14.335 1.00 0.00 H new ATOM 0 HB THR A 104 -6.566 -28.486 13.039 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.569 -29.133 14.992 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.191 -30.055 12.048 1.00 0.00 H new ATOM 0 HG22 THR A 104 -6.626 -30.842 12.367 1.00 0.00 H new ATOM 0 HG23 THR A 104 -8.005 -31.128 13.456 1.00 0.00 H new ATOM 1515 N ALA A 105 -4.919 -27.551 15.070 1.00 0.00 N ATOM 1516 CA ALA A 105 -4.490 -26.347 15.771 1.00 0.00 C ATOM 1517 C ALA A 105 -5.646 -25.367 15.937 1.00 0.00 C ATOM 1518 O ALA A 105 -5.512 -24.342 16.606 1.00 0.00 O ATOM 1519 CB ALA A 105 -3.338 -25.687 15.029 1.00 0.00 C ATOM 0 H ALA A 105 -4.537 -27.650 14.130 1.00 0.00 H new ATOM 0 HA ALA A 105 -4.149 -26.637 16.765 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -3.028 -24.789 15.564 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -2.500 -26.381 14.968 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -3.660 -25.417 14.023 1.00 0.00 H new ATOM 1525 N ILE A 106 -6.780 -25.688 15.323 1.00 0.00 N ATOM 1526 CA ILE A 106 -7.959 -24.835 15.404 1.00 0.00 C ATOM 1527 C ILE A 106 -8.915 -25.319 16.489 1.00 0.00 C ATOM 1528 O ILE A 106 -9.290 -26.492 16.522 1.00 0.00 O ATOM 1529 CB ILE A 106 -8.710 -24.783 14.060 1.00 0.00 C ATOM 1530 CG1 ILE A 106 -7.879 -24.036 13.015 1.00 0.00 C ATOM 1531 CG2 ILE A 106 -10.068 -24.121 14.237 1.00 0.00 C ATOM 1532 CD1 ILE A 106 -8.227 -24.404 11.590 1.00 0.00 C ATOM 0 H ILE A 106 -6.907 -26.532 14.764 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.607 -23.834 15.653 1.00 0.00 H new ATOM 0 HB ILE A 106 -8.868 -25.803 13.709 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -8.020 -22.964 13.149 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.823 -24.243 13.187 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -10.586 -24.092 13.279 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.660 -24.691 14.953 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -9.932 -23.105 14.607 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -7.599 -23.836 10.904 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -8.059 -25.470 11.438 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -9.275 -24.171 11.400 1.00 0.00 H new ATOM 1544 N SER A 107 -9.308 -24.409 17.374 1.00 0.00 N ATOM 1545 CA SER A 107 -10.219 -24.743 18.462 1.00 0.00 C ATOM 1546 C SER A 107 -11.557 -24.031 18.288 1.00 0.00 C ATOM 1547 O SER A 107 -11.609 -22.882 17.850 1.00 0.00 O ATOM 1548 CB SER A 107 -9.599 -24.366 19.809 1.00 0.00 C ATOM 1549 OG SER A 107 -10.064 -25.219 20.841 1.00 0.00 O ATOM 0 H SER A 107 -9.009 -23.434 17.359 1.00 0.00 H new ATOM 0 HA SER A 107 -10.394 -25.819 18.439 1.00 0.00 H new ATOM 0 HB2 SER A 107 -8.513 -24.428 19.743 1.00 0.00 H new ATOM 0 HB3 SER A 107 -9.845 -23.332 20.049 1.00 0.00 H new ATOM 0 HG SER A 107 -9.652 -24.959 21.691 1.00 0.00 H new ATOM 1555 N ILE A 108 -12.637 -24.723 18.635 1.00 0.00 N ATOM 1556 CA ILE A 108 -13.976 -24.157 18.519 1.00 0.00 C ATOM 1557 C ILE A 108 -14.736 -24.269 19.836 1.00 0.00 C ATOM 1558 O ILE A 108 -14.888 -25.360 20.387 1.00 0.00 O ATOM 1559 CB ILE A 108 -14.787 -24.854 17.410 1.00 0.00 C ATOM 1560 CG1 ILE A 108 -16.102 -24.111 17.168 1.00 0.00 C ATOM 1561 CG2 ILE A 108 -15.052 -26.305 17.780 1.00 0.00 C ATOM 1562 CD1 ILE A 108 -15.972 -22.949 16.208 1.00 0.00 C ATOM 0 H ILE A 108 -12.611 -25.676 18.999 1.00 0.00 H new ATOM 0 HA ILE A 108 -13.853 -23.105 18.262 1.00 0.00 H new ATOM 0 HB ILE A 108 -14.206 -24.836 16.488 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -16.840 -24.812 16.779 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -16.483 -23.744 18.121 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -15.626 -26.784 16.987 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -14.104 -26.827 17.908 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -15.617 -26.346 18.711 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -16.943 -22.469 16.084 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -15.258 -22.227 16.605 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -15.621 -23.312 15.242 1.00 0.00 H new ATOM 1574 N VAL A 109 -15.215 -23.134 20.335 1.00 0.00 N ATOM 1575 CA VAL A 109 -15.963 -23.104 21.586 1.00 0.00 C ATOM 1576 C VAL A 109 -17.267 -22.331 21.429 1.00 0.00 C ATOM 1577 O VAL A 109 -17.260 -21.130 21.159 1.00 0.00 O ATOM 1578 CB VAL A 109 -15.136 -22.469 22.720 1.00 0.00 C ATOM 1579 CG1 VAL A 109 -14.359 -21.267 22.205 1.00 0.00 C ATOM 1580 CG2 VAL A 109 -16.037 -22.075 23.880 1.00 0.00 C ATOM 0 H VAL A 109 -15.098 -22.223 19.892 1.00 0.00 H new ATOM 0 HA VAL A 109 -16.187 -24.139 21.845 1.00 0.00 H new ATOM 0 HB VAL A 109 -14.420 -23.207 23.081 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -13.781 -20.831 23.020 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -13.684 -21.584 21.410 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.055 -20.524 21.816 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -15.436 -21.628 24.672 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -16.778 -21.354 23.536 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -16.543 -22.960 24.264 1.00 0.00 H new