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 Set 1.1: A 38 MET CE :methyl -178:sc= -0.666 (180deg=-0.672) USER MOD Set 1.2: A 53 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 30 LYS NZ :NH3+ -162:sc= 0.297 (180deg=0) USER MOD Set 2.2: A 67 GLN : amide:sc= -5.41 K(o=-5.1,f=-16!) USER MOD Single : A 20 THR OG1 : rot -32:sc= 0.0618 USER MOD Single : A 22 THR OG1 : rot 44:sc= 0.567 USER MOD Single : A 28 SER OG : rot -43:sc= 0.111 USER MOD Single : A 34 MET CE :methyl 158:sc= -2.16! (180deg=-3.68!) USER MOD Single : A 35 THR OG1 : rot -110:sc= 0.102 USER MOD Single : A 45 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0473) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0586 USER MOD Single : A 68 THR OG1 : rot -30:sc= 0.715 USER MOD Single : A 69 SER OG : rot 90:sc= -0.0211 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -29:sc= 0.243! 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 93:sc= 1.02 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 30:sc= -0.872 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -23:sc= 0.764 USER MOD Single : A 96 LYS NZ :NH3+ -117:sc= -0.432 (180deg=-1.57) USER MOD Single : A 97 LYS NZ :NH3+ 159:sc= 0.929 (180deg=0.72) USER MOD Single : A 99 THR OG1 : rot 66:sc= 1.17 USER MOD Single : A 104 THR OG1 : rot -38:sc= 0.247 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 282 N THR A 20 -2.950 -17.191 8.436 1.00 0.00 N ATOM 283 CA THR A 20 -3.912 -17.806 7.531 1.00 0.00 C ATOM 284 C THR A 20 -3.209 -18.500 6.370 1.00 0.00 C ATOM 285 O THR A 20 -2.129 -18.086 5.949 1.00 0.00 O ATOM 286 CB THR A 20 -4.900 -16.766 6.970 1.00 0.00 C ATOM 287 OG1 THR A 20 -4.186 -15.733 6.281 1.00 0.00 O ATOM 288 CG2 THR A 20 -5.734 -16.155 8.086 1.00 0.00 C ATOM 0 HA THR A 20 -4.464 -18.545 8.112 1.00 0.00 H new ATOM 0 HB THR A 20 -5.568 -17.272 6.273 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.313 -15.600 6.705 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.424 -15.424 7.666 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.299 -16.940 8.589 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.077 -15.663 8.804 1.00 0.00 H new ATOM 296 N ALA A 21 -3.829 -19.557 5.855 1.00 0.00 N ATOM 297 CA ALA A 21 -3.263 -20.306 4.741 1.00 0.00 C ATOM 298 C ALA A 21 -3.953 -19.945 3.430 1.00 0.00 C ATOM 299 O ALA A 21 -5.097 -19.489 3.423 1.00 0.00 O ATOM 300 CB ALA A 21 -3.371 -21.802 5.001 1.00 0.00 C ATOM 0 H ALA A 21 -4.723 -19.913 6.192 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.210 -20.038 4.654 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.944 -22.349 4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.827 -22.053 5.911 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.419 -22.076 5.118 1.00 0.00 H new ATOM 306 N THR A 22 -3.251 -20.151 2.320 1.00 0.00 N ATOM 307 CA THR A 22 -3.795 -19.845 1.003 1.00 0.00 C ATOM 308 C THR A 22 -3.927 -21.105 0.156 1.00 0.00 C ATOM 309 O THR A 22 -2.932 -21.750 -0.174 1.00 0.00 O ATOM 310 CB THR A 22 -2.914 -18.827 0.254 1.00 0.00 C ATOM 311 OG1 THR A 22 -1.584 -19.339 0.115 1.00 0.00 O ATOM 312 CG2 THR A 22 -2.876 -17.497 0.993 1.00 0.00 C ATOM 0 H THR A 22 -2.304 -20.529 2.307 1.00 0.00 H new ATOM 0 HA THR A 22 -4.783 -19.412 1.162 1.00 0.00 H new ATOM 0 HB THR A 22 -3.345 -18.664 -0.734 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.622 -20.282 -0.150 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.248 -16.794 0.445 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.886 -17.096 1.072 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.466 -17.647 1.992 1.00 0.00 H new ATOM 320 N ALA A 23 -5.161 -21.451 -0.193 1.00 0.00 N ATOM 321 CA ALA A 23 -5.423 -22.634 -1.005 1.00 0.00 C ATOM 322 C ALA A 23 -5.479 -22.281 -2.487 1.00 0.00 C ATOM 323 O ALA A 23 -5.839 -21.168 -2.872 1.00 0.00 O ATOM 324 CB ALA A 23 -6.721 -23.297 -0.568 1.00 0.00 C ATOM 0 H ALA A 23 -5.996 -20.929 0.074 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.602 -23.336 -0.857 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.904 -24.178 -1.182 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.644 -23.593 0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.546 -22.595 -0.686 1.00 0.00 H new ATOM 330 N PRO A 24 -5.115 -23.249 -3.341 1.00 0.00 N ATOM 331 CA PRO A 24 -5.116 -23.063 -4.795 1.00 0.00 C ATOM 332 C PRO A 24 -6.526 -22.956 -5.365 1.00 0.00 C ATOM 333 O PRO A 24 -6.713 -22.910 -6.580 1.00 0.00 O ATOM 334 CB PRO A 24 -4.424 -24.327 -5.314 1.00 0.00 C ATOM 335 CG PRO A 24 -4.659 -25.349 -4.256 1.00 0.00 C ATOM 336 CD PRO A 24 -4.675 -24.600 -2.953 1.00 0.00 C ATOM 0 HA PRO A 24 -4.620 -22.137 -5.088 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.842 -24.643 -6.270 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.359 -24.159 -5.472 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.603 -25.869 -4.419 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.874 -26.105 -4.262 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.359 -25.055 -2.236 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.690 -24.583 -2.487 1.00 0.00 H new ATOM 344 N GLY A 25 -7.517 -22.916 -4.479 1.00 0.00 N ATOM 345 CA GLY A 25 -8.897 -22.813 -4.913 1.00 0.00 C ATOM 346 C GLY A 25 -9.272 -23.889 -5.914 1.00 0.00 C ATOM 347 O GLY A 25 -8.864 -23.837 -7.074 1.00 0.00 O ATOM 0 H GLY A 25 -7.388 -22.953 -3.468 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.554 -22.883 -4.046 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.062 -21.832 -5.359 1.00 0.00 H new ATOM 351 N GLY A 26 -10.049 -24.869 -5.464 1.00 0.00 N ATOM 352 CA GLY A 26 -10.464 -25.949 -6.341 1.00 0.00 C ATOM 353 C GLY A 26 -11.933 -26.290 -6.186 1.00 0.00 C ATOM 354 O GLY A 26 -12.373 -27.368 -6.588 1.00 0.00 O ATOM 0 H GLY A 26 -10.399 -24.935 -4.508 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.266 -25.669 -7.376 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.864 -26.835 -6.130 1.00 0.00 H new ATOM 358 N LEU A 27 -12.693 -25.371 -5.601 1.00 0.00 N ATOM 359 CA LEU A 27 -14.122 -25.580 -5.393 1.00 0.00 C ATOM 360 C LEU A 27 -14.826 -25.879 -6.712 1.00 0.00 C ATOM 361 O LEU A 27 -14.255 -25.699 -7.788 1.00 0.00 O ATOM 362 CB LEU A 27 -14.747 -24.348 -4.735 1.00 0.00 C ATOM 363 CG LEU A 27 -14.774 -24.345 -3.207 1.00 0.00 C ATOM 364 CD1 LEU A 27 -13.511 -23.706 -2.651 1.00 0.00 C ATOM 365 CD2 LEU A 27 -16.010 -23.618 -2.697 1.00 0.00 C ATOM 0 H LEU A 27 -12.344 -24.474 -5.262 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.247 -26.439 -4.734 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.202 -23.466 -5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.770 -24.247 -5.097 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.816 -25.378 -2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.549 -23.713 -1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.640 -24.269 -2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.437 -22.678 -3.005 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -16.013 -23.626 -1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.999 -22.588 -3.053 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.905 -24.119 -3.066 1.00 0.00 H new ATOM 377 N SER A 28 -16.072 -26.335 -6.622 1.00 0.00 N ATOM 378 CA SER A 28 -16.855 -26.660 -7.809 1.00 0.00 C ATOM 379 C SER A 28 -18.148 -25.852 -7.844 1.00 0.00 C ATOM 380 O SER A 28 -18.931 -25.954 -8.789 1.00 0.00 O ATOM 381 CB SER A 28 -17.173 -28.156 -7.841 1.00 0.00 C ATOM 382 OG SER A 28 -17.576 -28.564 -9.137 1.00 0.00 O ATOM 0 H SER A 28 -16.561 -26.488 -5.740 1.00 0.00 H new ATOM 0 HA SER A 28 -16.263 -26.403 -8.687 1.00 0.00 H new ATOM 0 HB2 SER A 28 -16.295 -28.724 -7.534 1.00 0.00 H new ATOM 0 HB3 SER A 28 -17.963 -28.378 -7.124 1.00 0.00 H new ATOM 0 HG SER A 28 -18.192 -27.901 -9.512 1.00 0.00 H new ATOM 388 N ALA A 29 -18.366 -25.050 -6.807 1.00 0.00 N ATOM 389 CA ALA A 29 -19.563 -24.223 -6.720 1.00 0.00 C ATOM 390 C ALA A 29 -19.371 -23.083 -5.725 1.00 0.00 C ATOM 391 O ALA A 29 -18.376 -23.037 -5.002 1.00 0.00 O ATOM 392 CB ALA A 29 -20.764 -25.072 -6.328 1.00 0.00 C ATOM 0 H ALA A 29 -17.729 -24.956 -6.016 1.00 0.00 H new ATOM 0 HA ALA A 29 -19.746 -23.787 -7.702 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -21.651 -24.441 -6.267 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -20.921 -25.848 -7.077 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -20.581 -25.536 -5.359 1.00 0.00 H new ATOM 398 N LYS A 30 -20.330 -22.164 -5.694 1.00 0.00 N ATOM 399 CA LYS A 30 -20.268 -21.023 -4.787 1.00 0.00 C ATOM 400 C LYS A 30 -20.196 -21.486 -3.335 1.00 0.00 C ATOM 401 O LYS A 30 -20.906 -22.407 -2.932 1.00 0.00 O ATOM 402 CB LYS A 30 -21.487 -20.120 -4.986 1.00 0.00 C ATOM 403 CG LYS A 30 -21.319 -19.110 -6.108 1.00 0.00 C ATOM 404 CD LYS A 30 -21.806 -19.664 -7.436 1.00 0.00 C ATOM 405 CE LYS A 30 -20.685 -20.356 -8.196 1.00 0.00 C ATOM 406 NZ LYS A 30 -21.206 -21.373 -9.151 1.00 0.00 N ATOM 0 H LYS A 30 -21.160 -22.187 -6.287 1.00 0.00 H new ATOM 0 HA LYS A 30 -19.364 -20.458 -5.015 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -22.358 -20.741 -5.195 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -21.690 -19.588 -4.057 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -21.872 -18.202 -5.867 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -20.269 -18.831 -6.193 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -22.618 -20.370 -7.261 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -22.212 -18.854 -8.042 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -20.102 -19.612 -8.740 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -20.009 -20.836 -7.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -20.439 -22.023 -9.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -21.974 -21.911 -8.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -21.569 -20.897 -10.001 1.00 0.00 H new ATOM 420 N ALA A 31 -19.336 -20.839 -2.555 1.00 0.00 N ATOM 421 CA ALA A 31 -19.175 -21.182 -1.148 1.00 0.00 C ATOM 422 C ALA A 31 -18.970 -19.932 -0.298 1.00 0.00 C ATOM 423 O ALA A 31 -18.007 -19.185 -0.472 1.00 0.00 O ATOM 424 CB ALA A 31 -18.009 -22.142 -0.968 1.00 0.00 C ATOM 0 H ALA A 31 -18.740 -20.075 -2.874 1.00 0.00 H new ATOM 0 HA ALA A 31 -20.089 -21.672 -0.813 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -17.901 -22.389 0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -18.197 -23.053 -1.537 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -17.093 -21.673 -1.326 1.00 0.00 H new ATOM 430 N PRO A 32 -19.896 -19.697 0.643 1.00 0.00 N ATOM 431 CA PRO A 32 -19.838 -18.538 1.539 1.00 0.00 C ATOM 432 C PRO A 32 -18.698 -18.640 2.546 1.00 0.00 C ATOM 433 O PRO A 32 -18.213 -19.732 2.840 1.00 0.00 O ATOM 434 CB PRO A 32 -21.190 -18.575 2.255 1.00 0.00 C ATOM 435 CG PRO A 32 -21.607 -20.004 2.203 1.00 0.00 C ATOM 436 CD PRO A 32 -21.071 -20.545 0.907 1.00 0.00 C ATOM 0 HA PRO A 32 -19.654 -17.611 0.995 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -21.103 -18.225 3.284 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -21.918 -17.932 1.760 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -21.207 -20.558 3.052 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -22.692 -20.096 2.245 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -20.797 -21.596 0.993 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -21.807 -20.472 0.106 1.00 0.00 H new ATOM 444 N ALA A 33 -18.275 -17.495 3.072 1.00 0.00 N ATOM 445 CA ALA A 33 -17.194 -17.456 4.049 1.00 0.00 C ATOM 446 C ALA A 33 -17.687 -17.876 5.430 1.00 0.00 C ATOM 447 O ALA A 33 -18.846 -18.253 5.598 1.00 0.00 O ATOM 448 CB ALA A 33 -16.583 -16.064 4.105 1.00 0.00 C ATOM 0 H ALA A 33 -18.665 -16.582 2.838 1.00 0.00 H new ATOM 0 HA ALA A 33 -16.428 -18.164 3.735 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.777 -16.050 4.839 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.186 -15.801 3.125 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -17.348 -15.342 4.392 1.00 0.00 H new ATOM 454 N MET A 34 -16.798 -17.809 6.416 1.00 0.00 N ATOM 455 CA MET A 34 -17.143 -18.181 7.783 1.00 0.00 C ATOM 456 C MET A 34 -17.646 -19.620 7.843 1.00 0.00 C ATOM 457 O MET A 34 -18.717 -19.892 8.387 1.00 0.00 O ATOM 458 CB MET A 34 -18.207 -17.233 8.339 1.00 0.00 C ATOM 459 CG MET A 34 -17.646 -15.902 8.813 1.00 0.00 C ATOM 460 SD MET A 34 -17.125 -15.942 10.538 1.00 0.00 S ATOM 461 CE MET A 34 -15.660 -16.967 10.426 1.00 0.00 C ATOM 0 H MET A 34 -15.833 -17.501 6.294 1.00 0.00 H new ATOM 0 HA MET A 34 -16.243 -18.103 8.393 1.00 0.00 H new ATOM 0 HB2 MET A 34 -18.956 -17.049 7.569 1.00 0.00 H new ATOM 0 HB3 MET A 34 -18.717 -17.720 9.170 1.00 0.00 H new ATOM 0 HG2 MET A 34 -16.797 -15.627 8.187 1.00 0.00 H new ATOM 0 HG3 MET A 34 -18.402 -15.127 8.684 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.017 -16.778 11.286 1.00 0.00 H new ATOM 0 HE2 MET A 34 -15.951 -18.017 10.415 1.00 0.00 H new ATOM 0 HE3 MET A 34 -15.120 -16.730 9.510 1.00 0.00 H new ATOM 471 N THR A 35 -16.868 -20.539 7.281 1.00 0.00 N ATOM 472 CA THR A 35 -17.235 -21.949 7.269 1.00 0.00 C ATOM 473 C THR A 35 -16.007 -22.836 7.099 1.00 0.00 C ATOM 474 O THR A 35 -15.040 -22.476 6.427 1.00 0.00 O ATOM 475 CB THR A 35 -18.239 -22.259 6.143 1.00 0.00 C ATOM 476 OG1 THR A 35 -17.620 -22.062 4.867 1.00 0.00 O ATOM 477 CG2 THR A 35 -19.471 -21.374 6.257 1.00 0.00 C ATOM 0 H THR A 35 -15.978 -20.332 6.827 1.00 0.00 H new ATOM 0 HA THR A 35 -17.702 -22.162 8.230 1.00 0.00 H new ATOM 0 HB THR A 35 -18.549 -23.300 6.239 1.00 0.00 H new ATOM 0 HG1 THR A 35 -18.003 -21.269 4.436 1.00 0.00 H new ATOM 0 HG21 THR A 35 -20.165 -21.611 5.451 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.956 -21.548 7.217 1.00 0.00 H new ATOM 0 HG23 THR A 35 -19.175 -20.327 6.184 1.00 0.00 H new ATOM 485 N PRO A 36 -16.044 -24.025 7.719 1.00 0.00 N ATOM 486 CA PRO A 36 -14.941 -24.989 7.649 1.00 0.00 C ATOM 487 C PRO A 36 -14.799 -25.607 6.263 1.00 0.00 C ATOM 488 O PRO A 36 -15.789 -25.817 5.561 1.00 0.00 O ATOM 489 CB PRO A 36 -15.338 -26.056 8.673 1.00 0.00 C ATOM 490 CG PRO A 36 -16.823 -25.967 8.756 1.00 0.00 C ATOM 491 CD PRO A 36 -17.164 -24.520 8.537 1.00 0.00 C ATOM 0 HA PRO A 36 -13.977 -24.522 7.851 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.018 -27.048 8.355 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.875 -25.867 9.642 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -17.294 -26.597 8.002 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.181 -26.310 9.727 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -18.118 -24.406 8.023 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -17.243 -23.979 9.480 1.00 0.00 H new ATOM 499 N LEU A 37 -13.562 -25.897 5.874 1.00 0.00 N ATOM 500 CA LEU A 37 -13.290 -26.492 4.570 1.00 0.00 C ATOM 501 C LEU A 37 -12.525 -27.803 4.719 1.00 0.00 C ATOM 502 O LEU A 37 -12.119 -28.175 5.820 1.00 0.00 O ATOM 503 CB LEU A 37 -12.493 -25.519 3.700 1.00 0.00 C ATOM 504 CG LEU A 37 -12.965 -24.065 3.713 1.00 0.00 C ATOM 505 CD1 LEU A 37 -11.969 -23.174 2.988 1.00 0.00 C ATOM 506 CD2 LEU A 37 -14.346 -23.947 3.084 1.00 0.00 C ATOM 0 H LEU A 37 -12.732 -25.730 6.443 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.245 -26.703 4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.452 -25.545 4.022 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.518 -25.879 2.671 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.030 -23.733 4.749 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.322 -22.143 3.008 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.999 -23.235 3.482 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.871 -23.504 1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -14.666 -22.905 3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.307 -24.297 2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.055 -24.554 3.647 1.00 0.00 H new ATOM 518 N MET A 38 -12.330 -28.499 3.603 1.00 0.00 N ATOM 519 CA MET A 38 -11.610 -29.767 3.610 1.00 0.00 C ATOM 520 C MET A 38 -10.505 -29.770 2.558 1.00 0.00 C ATOM 521 O MET A 38 -10.662 -29.202 1.476 1.00 0.00 O ATOM 522 CB MET A 38 -12.574 -30.927 3.357 1.00 0.00 C ATOM 523 CG MET A 38 -13.139 -30.952 1.946 1.00 0.00 C ATOM 524 SD MET A 38 -13.524 -32.620 1.381 1.00 0.00 S ATOM 525 CE MET A 38 -15.172 -32.832 2.051 1.00 0.00 C ATOM 0 H MET A 38 -12.660 -28.206 2.683 1.00 0.00 H new ATOM 0 HA MET A 38 -11.153 -29.892 4.592 1.00 0.00 H new ATOM 0 HB2 MET A 38 -12.057 -31.867 3.549 1.00 0.00 H new ATOM 0 HB3 MET A 38 -13.398 -30.866 4.068 1.00 0.00 H new ATOM 0 HG2 MET A 38 -14.042 -30.343 1.910 1.00 0.00 H new ATOM 0 HG3 MET A 38 -12.421 -30.498 1.263 1.00 0.00 H new ATOM 0 HE1 MET A 38 -15.534 -33.833 1.816 1.00 0.00 H new ATOM 0 HE2 MET A 38 -15.145 -32.701 3.133 1.00 0.00 H new ATOM 0 HE3 MET A 38 -15.841 -32.091 1.613 1.00 0.00 H new ATOM 535 N LEU A 39 -9.389 -30.413 2.881 1.00 0.00 N ATOM 536 CA LEU A 39 -8.257 -30.490 1.963 1.00 0.00 C ATOM 537 C LEU A 39 -8.338 -31.748 1.104 1.00 0.00 C ATOM 538 O LEU A 39 -8.489 -32.855 1.620 1.00 0.00 O ATOM 539 CB LEU A 39 -6.941 -30.475 2.743 1.00 0.00 C ATOM 540 CG LEU A 39 -5.733 -29.893 2.008 1.00 0.00 C ATOM 541 CD1 LEU A 39 -5.322 -30.799 0.857 1.00 0.00 C ATOM 542 CD2 LEU A 39 -6.039 -28.491 1.502 1.00 0.00 C ATOM 0 H LEU A 39 -9.243 -30.889 3.771 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.293 -29.621 1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.092 -29.906 3.660 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.704 -31.497 3.037 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.901 -29.830 2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.461 -30.369 0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.060 -31.783 1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.151 -30.894 0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.167 -28.094 0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.885 -28.528 0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.284 -27.845 2.345 1.00 0.00 H new ATOM 626 N LYS A 45 -5.963 -29.714 -3.976 1.00 0.00 N ATOM 627 CA LYS A 45 -6.897 -28.598 -4.059 1.00 0.00 C ATOM 628 C LYS A 45 -7.787 -28.540 -2.822 1.00 0.00 C ATOM 629 O LYS A 45 -8.151 -29.572 -2.257 1.00 0.00 O ATOM 630 CB LYS A 45 -7.761 -28.722 -5.316 1.00 0.00 C ATOM 631 CG LYS A 45 -8.207 -30.145 -5.610 1.00 0.00 C ATOM 632 CD LYS A 45 -9.501 -30.170 -6.406 1.00 0.00 C ATOM 633 CE LYS A 45 -9.280 -29.726 -7.844 1.00 0.00 C ATOM 634 NZ LYS A 45 -8.587 -30.772 -8.646 1.00 0.00 N ATOM 0 HA LYS A 45 -6.318 -27.676 -4.112 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.642 -28.090 -5.205 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.201 -28.342 -6.170 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.427 -30.664 -6.166 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.344 -30.685 -4.673 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.917 -31.178 -6.395 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.234 -29.518 -5.931 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.240 -29.492 -8.304 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.690 -28.810 -7.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.590 -30.499 -9.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.605 -30.869 -8.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.081 -31.680 -8.533 1.00 0.00 H new ATOM 648 N LEU A 46 -8.135 -27.327 -2.405 1.00 0.00 N ATOM 649 CA LEU A 46 -8.984 -27.135 -1.235 1.00 0.00 C ATOM 650 C LEU A 46 -10.417 -26.813 -1.649 1.00 0.00 C ATOM 651 O LEU A 46 -10.653 -25.931 -2.474 1.00 0.00 O ATOM 652 CB LEU A 46 -8.431 -26.010 -0.358 1.00 0.00 C ATOM 653 CG LEU A 46 -8.701 -26.133 1.142 1.00 0.00 C ATOM 654 CD1 LEU A 46 -8.034 -24.996 1.900 1.00 0.00 C ATOM 655 CD2 LEU A 46 -10.198 -26.153 1.414 1.00 0.00 C ATOM 0 H LEU A 46 -7.842 -26.462 -2.860 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.989 -28.064 -0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.353 -25.955 -0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.850 -25.066 -0.706 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.276 -27.073 1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.237 -25.101 2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.958 -25.028 1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.428 -24.043 1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.372 -26.241 2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.647 -25.229 1.048 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.649 -27.003 0.902 1.00 0.00 H new ATOM 667 N VAL A 47 -11.371 -27.535 -1.069 1.00 0.00 N ATOM 668 CA VAL A 47 -12.781 -27.325 -1.374 1.00 0.00 C ATOM 669 C VAL A 47 -13.618 -27.277 -0.101 1.00 0.00 C ATOM 670 O VAL A 47 -13.183 -27.731 0.957 1.00 0.00 O ATOM 671 CB VAL A 47 -13.327 -28.434 -2.293 1.00 0.00 C ATOM 672 CG1 VAL A 47 -12.463 -28.570 -3.537 1.00 0.00 C ATOM 673 CG2 VAL A 47 -13.409 -29.755 -1.543 1.00 0.00 C ATOM 0 H VAL A 47 -11.193 -28.271 -0.385 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.854 -26.367 -1.889 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.334 -28.158 -2.608 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.864 -29.358 -4.174 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.461 -27.627 -4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.443 -28.822 -3.246 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -13.797 -30.527 -2.207 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -12.415 -30.039 -1.197 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -14.074 -29.646 -0.686 1.00 0.00 H new ATOM 683 N ALA A 48 -14.822 -26.725 -0.211 1.00 0.00 N ATOM 684 CA ALA A 48 -15.722 -26.620 0.931 1.00 0.00 C ATOM 685 C ALA A 48 -15.961 -27.985 1.568 1.00 0.00 C ATOM 686 O ALA A 48 -15.965 -29.008 0.883 1.00 0.00 O ATOM 687 CB ALA A 48 -17.042 -25.995 0.506 1.00 0.00 C ATOM 0 H ALA A 48 -15.197 -26.344 -1.080 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.252 -25.978 1.676 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -17.705 -25.923 1.368 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -16.860 -24.999 0.104 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -17.509 -26.615 -0.259 1.00 0.00 H new ATOM 693 N TRP A 49 -16.159 -27.992 2.881 1.00 0.00 N ATOM 694 CA TRP A 49 -16.398 -29.233 3.611 1.00 0.00 C ATOM 695 C TRP A 49 -17.691 -29.895 3.149 1.00 0.00 C ATOM 696 O TRP A 49 -18.635 -29.218 2.740 1.00 0.00 O ATOM 697 CB TRP A 49 -16.459 -28.960 5.115 1.00 0.00 C ATOM 698 CG TRP A 49 -16.700 -30.193 5.933 1.00 0.00 C ATOM 699 CD1 TRP A 49 -16.192 -31.440 5.704 1.00 0.00 C ATOM 700 CD2 TRP A 49 -17.511 -30.296 7.108 1.00 0.00 C ATOM 701 NE1 TRP A 49 -16.638 -32.312 6.667 1.00 0.00 N ATOM 702 CE2 TRP A 49 -17.448 -31.635 7.541 1.00 0.00 C ATOM 703 CE3 TRP A 49 -18.281 -29.388 7.839 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -18.128 -32.085 8.669 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -18.956 -29.836 8.958 1.00 0.00 C ATOM 706 CH2 TRP A 49 -18.875 -31.175 9.365 1.00 0.00 C ATOM 0 H TRP A 49 -16.159 -27.154 3.462 1.00 0.00 H new ATOM 0 HA TRP A 49 -15.571 -29.912 3.406 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -15.523 -28.500 5.432 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -17.252 -28.239 5.314 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -15.537 -31.702 4.887 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -16.404 -33.303 6.723 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -18.347 -28.354 7.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -18.068 -33.116 8.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -19.556 -29.143 9.529 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -19.413 -31.494 10.245 1.00 0.00 H new ATOM 717 N ASP A 50 -17.728 -31.221 3.217 1.00 0.00 N ATOM 718 CA ASP A 50 -18.907 -31.975 2.807 1.00 0.00 C ATOM 719 C ASP A 50 -19.987 -31.922 3.882 1.00 0.00 C ATOM 720 O ASP A 50 -21.160 -31.697 3.588 1.00 0.00 O ATOM 721 CB ASP A 50 -18.533 -33.429 2.513 1.00 0.00 C ATOM 722 CG ASP A 50 -19.732 -34.268 2.118 1.00 0.00 C ATOM 723 OD1 ASP A 50 -20.825 -34.039 2.677 1.00 0.00 O ATOM 724 OD2 ASP A 50 -19.578 -35.153 1.251 1.00 0.00 O ATOM 0 H ASP A 50 -16.955 -31.796 3.552 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.301 -31.519 1.899 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -17.795 -33.456 1.712 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -18.063 -33.865 3.394 1.00 0.00 H new ATOM 729 N GLY A 51 -19.583 -32.133 5.131 1.00 0.00 N ATOM 730 CA GLY A 51 -20.528 -32.106 6.232 1.00 0.00 C ATOM 731 C GLY A 51 -20.544 -33.404 7.014 1.00 0.00 C ATOM 732 O GLY A 51 -20.781 -33.408 8.223 1.00 0.00 O ATOM 0 H GLY A 51 -18.617 -32.322 5.400 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.276 -31.284 6.903 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.527 -31.907 5.844 1.00 0.00 H new ATOM 736 N THR A 52 -20.293 -34.512 6.324 1.00 0.00 N ATOM 737 CA THR A 52 -20.282 -35.823 6.961 1.00 0.00 C ATOM 738 C THR A 52 -18.857 -36.287 7.241 1.00 0.00 C ATOM 739 O THR A 52 -18.538 -36.714 8.351 1.00 0.00 O ATOM 740 CB THR A 52 -20.991 -36.877 6.089 1.00 0.00 C ATOM 741 OG1 THR A 52 -20.362 -36.954 4.805 1.00 0.00 O ATOM 742 CG2 THR A 52 -22.464 -36.537 5.919 1.00 0.00 C ATOM 0 H THR A 52 -20.095 -34.528 5.324 1.00 0.00 H new ATOM 0 HA THR A 52 -20.819 -35.721 7.904 1.00 0.00 H new ATOM 0 HB THR A 52 -20.913 -37.842 6.589 1.00 0.00 H new ATOM 0 HG1 THR A 52 -20.817 -37.627 4.258 1.00 0.00 H new ATOM 0 HG21 THR A 52 -22.943 -37.295 5.300 1.00 0.00 H new ATOM 0 HG22 THR A 52 -22.946 -36.509 6.896 1.00 0.00 H new ATOM 0 HG23 THR A 52 -22.560 -35.563 5.439 1.00 0.00 H new ATOM 750 N THR A 53 -18.002 -36.200 6.227 1.00 0.00 N ATOM 751 CA THR A 53 -16.610 -36.611 6.364 1.00 0.00 C ATOM 752 C THR A 53 -16.058 -36.234 7.734 1.00 0.00 C ATOM 753 O THR A 53 -15.820 -35.059 8.016 1.00 0.00 O ATOM 754 CB THR A 53 -15.727 -35.976 5.274 1.00 0.00 C ATOM 755 OG1 THR A 53 -16.248 -36.288 3.977 1.00 0.00 O ATOM 756 CG2 THR A 53 -14.293 -36.471 5.382 1.00 0.00 C ATOM 0 H THR A 53 -18.249 -35.849 5.302 1.00 0.00 H new ATOM 0 HA THR A 53 -16.588 -37.695 6.252 1.00 0.00 H new ATOM 0 HB THR A 53 -15.733 -34.895 5.417 1.00 0.00 H new ATOM 0 HG1 THR A 53 -15.682 -35.879 3.290 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.689 -36.008 4.602 1.00 0.00 H new ATOM 0 HG22 THR A 53 -13.889 -36.206 6.359 1.00 0.00 H new ATOM 0 HG23 THR A 53 -14.272 -37.554 5.263 1.00 0.00 H new ATOM 764 N ASP A 54 -15.854 -37.236 8.581 1.00 0.00 N ATOM 765 CA ASP A 54 -15.327 -37.010 9.922 1.00 0.00 C ATOM 766 C ASP A 54 -13.854 -36.620 9.867 1.00 0.00 C ATOM 767 O ASP A 54 -13.050 -37.283 9.213 1.00 0.00 O ATOM 768 CB ASP A 54 -15.506 -38.262 10.781 1.00 0.00 C ATOM 769 CG ASP A 54 -16.868 -38.901 10.598 1.00 0.00 C ATOM 770 OD1 ASP A 54 -17.824 -38.462 11.271 1.00 0.00 O ATOM 771 OD2 ASP A 54 -16.978 -39.841 9.782 1.00 0.00 O ATOM 0 H ASP A 54 -16.046 -38.214 8.363 1.00 0.00 H new ATOM 0 HA ASP A 54 -15.885 -36.189 10.372 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.732 -38.986 10.528 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.368 -38.002 11.830 1.00 0.00 H new ATOM 776 N GLY A 55 -13.506 -35.539 10.560 1.00 0.00 N ATOM 777 CA GLY A 55 -12.130 -35.080 10.576 1.00 0.00 C ATOM 778 C GLY A 55 -11.700 -34.490 9.248 1.00 0.00 C ATOM 779 O GLY A 55 -10.519 -34.520 8.901 1.00 0.00 O ATOM 0 H GLY A 55 -14.153 -34.974 11.110 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.009 -34.331 11.359 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.475 -35.914 10.829 1.00 0.00 H new ATOM 783 N ALA A 56 -12.660 -33.955 8.501 1.00 0.00 N ATOM 784 CA ALA A 56 -12.374 -33.356 7.203 1.00 0.00 C ATOM 785 C ALA A 56 -12.082 -31.865 7.338 1.00 0.00 C ATOM 786 O ALA A 56 -11.272 -31.312 6.596 1.00 0.00 O ATOM 787 CB ALA A 56 -13.537 -33.584 6.249 1.00 0.00 C ATOM 0 H ALA A 56 -13.643 -33.924 8.772 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.485 -33.838 6.796 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.310 -33.131 5.284 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.697 -34.654 6.119 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.439 -33.130 6.659 1.00 0.00 H new ATOM 793 N ALA A 57 -12.749 -31.221 8.291 1.00 0.00 N ATOM 794 CA ALA A 57 -12.560 -29.795 8.524 1.00 0.00 C ATOM 795 C ALA A 57 -11.121 -29.490 8.927 1.00 0.00 C ATOM 796 O ALA A 57 -10.673 -29.879 10.006 1.00 0.00 O ATOM 797 CB ALA A 57 -13.525 -29.302 9.591 1.00 0.00 C ATOM 0 H ALA A 57 -13.424 -31.665 8.913 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.767 -29.269 7.592 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.372 -28.235 9.755 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.550 -29.476 9.263 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -13.345 -29.841 10.521 1.00 0.00 H new ATOM 803 N VAL A 58 -10.402 -28.792 8.055 1.00 0.00 N ATOM 804 CA VAL A 58 -9.013 -28.435 8.321 1.00 0.00 C ATOM 805 C VAL A 58 -8.892 -26.972 8.734 1.00 0.00 C ATOM 806 O VAL A 58 -8.120 -26.632 9.630 1.00 0.00 O ATOM 807 CB VAL A 58 -8.124 -28.684 7.088 1.00 0.00 C ATOM 808 CG1 VAL A 58 -8.155 -30.153 6.695 1.00 0.00 C ATOM 809 CG2 VAL A 58 -8.562 -27.804 5.928 1.00 0.00 C ATOM 0 H VAL A 58 -10.758 -28.462 7.158 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.673 -29.070 9.139 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.097 -28.423 7.344 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.521 -30.310 5.822 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.788 -30.759 7.523 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.178 -30.445 6.458 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.923 -27.994 5.066 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.596 -28.031 5.670 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.481 -26.756 6.216 1.00 0.00 H new ATOM 819 N GLY A 59 -9.660 -26.111 8.075 1.00 0.00 N ATOM 820 CA GLY A 59 -9.624 -24.694 8.388 1.00 0.00 C ATOM 821 C GLY A 59 -10.932 -23.997 8.071 1.00 0.00 C ATOM 822 O GLY A 59 -11.838 -24.596 7.491 1.00 0.00 O ATOM 0 H GLY A 59 -10.307 -26.369 7.330 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.394 -24.564 9.445 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.818 -24.221 7.826 1.00 0.00 H new ATOM 826 N ILE A 60 -11.032 -22.728 8.454 1.00 0.00 N ATOM 827 CA ILE A 60 -12.239 -21.949 8.207 1.00 0.00 C ATOM 828 C ILE A 60 -11.980 -20.841 7.192 1.00 0.00 C ATOM 829 O ILE A 60 -11.076 -20.023 7.366 1.00 0.00 O ATOM 830 CB ILE A 60 -12.781 -21.324 9.506 1.00 0.00 C ATOM 831 CG1 ILE A 60 -13.047 -22.412 10.549 1.00 0.00 C ATOM 832 CG2 ILE A 60 -14.049 -20.532 9.224 1.00 0.00 C ATOM 833 CD1 ILE A 60 -13.257 -21.871 11.946 1.00 0.00 C ATOM 0 H ILE A 60 -10.292 -22.218 8.936 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.983 -22.638 7.807 1.00 0.00 H new ATOM 0 HB ILE A 60 -12.030 -20.641 9.904 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.928 -22.981 10.252 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.207 -23.107 10.560 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -14.420 -20.096 10.152 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -13.830 -19.736 8.512 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -14.807 -21.195 8.806 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -13.440 -22.698 12.633 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -12.368 -21.326 12.263 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -14.115 -21.199 11.951 1.00 0.00 H new ATOM 845 N LEU A 61 -12.781 -20.818 6.132 1.00 0.00 N ATOM 846 CA LEU A 61 -12.641 -19.808 5.089 1.00 0.00 C ATOM 847 C LEU A 61 -12.912 -18.413 5.641 1.00 0.00 C ATOM 848 O LEU A 61 -13.975 -18.154 6.206 1.00 0.00 O ATOM 849 CB LEU A 61 -13.596 -20.106 3.932 1.00 0.00 C ATOM 850 CG LEU A 61 -13.120 -19.680 2.542 1.00 0.00 C ATOM 851 CD1 LEU A 61 -14.302 -19.527 1.597 1.00 0.00 C ATOM 852 CD2 LEU A 61 -12.329 -18.383 2.624 1.00 0.00 C ATOM 0 H LEU A 61 -13.534 -21.487 5.972 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.615 -19.840 4.723 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -13.790 -21.178 3.915 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -14.547 -19.613 4.136 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.465 -20.457 2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -13.944 -19.224 0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -14.827 -20.478 1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -14.983 -18.769 1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -11.998 -18.095 1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -12.961 -17.597 3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -11.460 -18.527 3.267 1.00 0.00 H new ATOM 864 N ALA A 62 -11.946 -17.517 5.473 1.00 0.00 N ATOM 865 CA ALA A 62 -12.082 -16.146 5.951 1.00 0.00 C ATOM 866 C ALA A 62 -13.016 -15.342 5.053 1.00 0.00 C ATOM 867 O ALA A 62 -13.925 -14.664 5.533 1.00 0.00 O ATOM 868 CB ALA A 62 -10.719 -15.477 6.031 1.00 0.00 C ATOM 0 H ALA A 62 -11.060 -17.716 5.009 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.518 -16.177 6.950 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.836 -14.454 6.389 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.081 -16.032 6.719 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.261 -15.465 5.042 1.00 0.00 H new ATOM 874 N VAL A 63 -12.787 -15.422 3.746 1.00 0.00 N ATOM 875 CA VAL A 63 -13.608 -14.702 2.780 1.00 0.00 C ATOM 876 C VAL A 63 -14.289 -15.664 1.812 1.00 0.00 C ATOM 877 O VAL A 63 -13.651 -16.561 1.262 1.00 0.00 O ATOM 878 CB VAL A 63 -12.771 -13.689 1.977 1.00 0.00 C ATOM 879 CG1 VAL A 63 -13.607 -13.065 0.869 1.00 0.00 C ATOM 880 CG2 VAL A 63 -12.205 -12.618 2.897 1.00 0.00 C ATOM 0 H VAL A 63 -12.039 -15.979 3.332 1.00 0.00 H new ATOM 0 HA VAL A 63 -14.368 -14.165 3.348 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.936 -14.217 1.516 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -12.999 -12.352 0.312 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.959 -13.846 0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -14.463 -12.550 1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -11.616 -11.911 2.313 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -13.023 -12.091 3.388 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.570 -13.084 3.650 1.00 0.00 H new ATOM 890 N ALA A 64 -15.587 -15.469 1.608 1.00 0.00 N ATOM 891 CA ALA A 64 -16.354 -16.317 0.705 1.00 0.00 C ATOM 892 C ALA A 64 -15.622 -16.513 -0.619 1.00 0.00 C ATOM 893 O ALA A 64 -14.883 -15.636 -1.066 1.00 0.00 O ATOM 894 CB ALA A 64 -17.733 -15.721 0.464 1.00 0.00 C ATOM 0 H ALA A 64 -16.130 -14.731 2.056 1.00 0.00 H new ATOM 0 HA ALA A 64 -16.469 -17.294 1.175 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -18.295 -16.365 -0.212 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.265 -15.639 1.412 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.629 -14.731 0.020 1.00 0.00 H new ATOM 900 N ALA A 65 -15.832 -17.669 -1.240 1.00 0.00 N ATOM 901 CA ALA A 65 -15.192 -17.979 -2.513 1.00 0.00 C ATOM 902 C ALA A 65 -16.041 -18.943 -3.333 1.00 0.00 C ATOM 903 O ALA A 65 -17.046 -19.466 -2.851 1.00 0.00 O ATOM 904 CB ALA A 65 -13.806 -18.561 -2.279 1.00 0.00 C ATOM 0 H ALA A 65 -16.440 -18.406 -0.883 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.094 -17.052 -3.078 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.340 -18.788 -3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -13.194 -17.838 -1.740 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.890 -19.475 -1.691 1.00 0.00 H new ATOM 910 N ASP A 66 -15.632 -19.175 -4.576 1.00 0.00 N ATOM 911 CA ASP A 66 -16.355 -20.078 -5.464 1.00 0.00 C ATOM 912 C ASP A 66 -15.387 -20.943 -6.265 1.00 0.00 C ATOM 913 O ASP A 66 -14.172 -20.854 -6.092 1.00 0.00 O ATOM 914 CB ASP A 66 -17.253 -19.283 -6.412 1.00 0.00 C ATOM 915 CG ASP A 66 -16.662 -17.935 -6.776 1.00 0.00 C ATOM 916 OD1 ASP A 66 -15.423 -17.846 -6.904 1.00 0.00 O ATOM 917 OD2 ASP A 66 -17.439 -16.970 -6.934 1.00 0.00 O ATOM 0 H ASP A 66 -14.803 -18.750 -4.991 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.975 -20.732 -4.851 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.419 -19.861 -7.321 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -18.227 -19.135 -5.946 1.00 0.00 H new ATOM 922 N GLN A 67 -15.935 -21.780 -7.140 1.00 0.00 N ATOM 923 CA GLN A 67 -15.119 -22.662 -7.967 1.00 0.00 C ATOM 924 C GLN A 67 -14.143 -21.859 -8.821 1.00 0.00 C ATOM 925 O GLN A 67 -13.059 -22.336 -9.158 1.00 0.00 O ATOM 926 CB GLN A 67 -16.010 -23.524 -8.863 1.00 0.00 C ATOM 927 CG GLN A 67 -16.666 -22.749 -9.995 1.00 0.00 C ATOM 928 CD GLN A 67 -17.580 -21.648 -9.495 1.00 0.00 C ATOM 929 OE1 GLN A 67 -18.496 -21.894 -8.709 1.00 0.00 O ATOM 930 NE2 GLN A 67 -17.338 -20.424 -9.950 1.00 0.00 N ATOM 0 H GLN A 67 -16.940 -21.866 -7.295 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.545 -23.311 -7.305 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -15.413 -24.332 -9.285 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.786 -23.986 -8.253 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -15.893 -22.314 -10.629 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -17.239 -23.437 -10.617 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -16.568 -20.264 -10.600 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -17.922 -19.643 -9.649 1.00 0.00 H new ATOM 939 N THR A 68 -14.535 -20.637 -9.169 1.00 0.00 N ATOM 940 CA THR A 68 -13.696 -19.769 -9.985 1.00 0.00 C ATOM 941 C THR A 68 -12.567 -19.162 -9.160 1.00 0.00 C ATOM 942 O THR A 68 -11.693 -18.479 -9.694 1.00 0.00 O ATOM 943 CB THR A 68 -14.517 -18.634 -10.624 1.00 0.00 C ATOM 944 OG1 THR A 68 -13.678 -17.839 -11.470 1.00 0.00 O ATOM 945 CG2 THR A 68 -15.148 -17.754 -9.556 1.00 0.00 C ATOM 0 H THR A 68 -15.429 -20.226 -8.898 1.00 0.00 H new ATOM 0 HA THR A 68 -13.272 -20.390 -10.774 1.00 0.00 H new ATOM 0 HB THR A 68 -15.313 -19.082 -11.219 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.760 -17.854 -11.127 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.723 -16.960 -10.032 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.809 -18.356 -8.932 1.00 0.00 H new ATOM 0 HG23 THR A 68 -14.365 -17.315 -8.937 1.00 0.00 H new ATOM 953 N SER A 69 -12.591 -19.416 -7.855 1.00 0.00 N ATOM 954 CA SER A 69 -11.570 -18.891 -6.956 1.00 0.00 C ATOM 955 C SER A 69 -10.195 -19.446 -7.313 1.00 0.00 C ATOM 956 O SER A 69 -10.036 -20.645 -7.544 1.00 0.00 O ATOM 957 CB SER A 69 -11.912 -19.237 -5.505 1.00 0.00 C ATOM 958 OG SER A 69 -11.264 -18.356 -4.604 1.00 0.00 O ATOM 0 H SER A 69 -13.306 -19.982 -7.397 1.00 0.00 H new ATOM 0 HA SER A 69 -11.545 -17.807 -7.067 1.00 0.00 H new ATOM 0 HB2 SER A 69 -12.991 -19.182 -5.359 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.613 -20.264 -5.293 1.00 0.00 H new ATOM 0 HG SER A 69 -11.840 -17.582 -4.433 1.00 0.00 H new ATOM 964 N THR A 70 -9.201 -18.563 -7.356 1.00 0.00 N ATOM 965 CA THR A 70 -7.839 -18.962 -7.686 1.00 0.00 C ATOM 966 C THR A 70 -6.967 -19.028 -6.436 1.00 0.00 C ATOM 967 O THR A 70 -5.909 -19.658 -6.436 1.00 0.00 O ATOM 968 CB THR A 70 -7.197 -17.991 -8.695 1.00 0.00 C ATOM 969 OG1 THR A 70 -8.079 -17.784 -9.804 1.00 0.00 O ATOM 970 CG2 THR A 70 -5.865 -18.531 -9.194 1.00 0.00 C ATOM 0 H THR A 70 -9.315 -17.567 -7.166 1.00 0.00 H new ATOM 0 HA THR A 70 -7.901 -19.953 -8.136 1.00 0.00 H new ATOM 0 HB THR A 70 -7.019 -17.042 -8.190 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.665 -17.164 -10.440 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.431 -17.828 -9.905 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.186 -18.660 -8.351 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.022 -19.492 -9.684 1.00 0.00 H new ATOM 978 N THR A 71 -7.418 -18.373 -5.371 1.00 0.00 N ATOM 979 CA THR A 71 -6.680 -18.357 -4.115 1.00 0.00 C ATOM 980 C THR A 71 -7.596 -18.025 -2.942 1.00 0.00 C ATOM 981 O THR A 71 -8.038 -16.886 -2.789 1.00 0.00 O ATOM 982 CB THR A 71 -5.526 -17.336 -4.154 1.00 0.00 C ATOM 983 OG1 THR A 71 -4.832 -17.430 -5.403 1.00 0.00 O ATOM 984 CG2 THR A 71 -4.554 -17.574 -3.009 1.00 0.00 C ATOM 0 H THR A 71 -8.291 -17.846 -5.354 1.00 0.00 H new ATOM 0 HA THR A 71 -6.268 -19.357 -3.979 1.00 0.00 H new ATOM 0 HB THR A 71 -5.950 -16.337 -4.048 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.900 -18.345 -5.747 1.00 0.00 H new ATOM 0 HG21 THR A 71 -3.748 -16.841 -3.057 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.079 -17.474 -2.059 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.137 -18.578 -3.089 1.00 0.00 H new ATOM 992 N LEU A 72 -7.877 -19.027 -2.116 1.00 0.00 N ATOM 993 CA LEU A 72 -8.741 -18.841 -0.955 1.00 0.00 C ATOM 994 C LEU A 72 -7.919 -18.530 0.291 1.00 0.00 C ATOM 995 O LEU A 72 -6.839 -19.087 0.492 1.00 0.00 O ATOM 996 CB LEU A 72 -9.590 -20.093 -0.721 1.00 0.00 C ATOM 997 CG LEU A 72 -10.725 -20.330 -1.717 1.00 0.00 C ATOM 998 CD1 LEU A 72 -10.177 -20.841 -3.040 1.00 0.00 C ATOM 999 CD2 LEU A 72 -11.741 -21.308 -1.145 1.00 0.00 C ATOM 0 H LEU A 72 -7.520 -19.976 -2.228 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.399 -17.995 -1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.932 -20.962 -0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.018 -20.036 0.280 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.227 -19.380 -1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.000 -21.004 -3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.489 -20.106 -3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.649 -21.780 -2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.542 -21.465 -1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.252 -22.259 -0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.158 -20.902 -0.224 1.00 0.00 H new ATOM 1011 N THR A 73 -8.438 -17.637 1.128 1.00 0.00 N ATOM 1012 CA THR A 73 -7.754 -17.252 2.356 1.00 0.00 C ATOM 1013 C THR A 73 -8.491 -17.775 3.584 1.00 0.00 C ATOM 1014 O THR A 73 -9.437 -17.151 4.064 1.00 0.00 O ATOM 1015 CB THR A 73 -7.616 -15.722 2.467 1.00 0.00 C ATOM 1016 OG1 THR A 73 -6.922 -15.209 1.325 1.00 0.00 O ATOM 1017 CG2 THR A 73 -6.872 -15.336 3.736 1.00 0.00 C ATOM 0 H THR A 73 -9.330 -17.167 0.977 1.00 0.00 H new ATOM 0 HA THR A 73 -6.760 -17.697 2.316 1.00 0.00 H new ATOM 0 HB THR A 73 -8.616 -15.291 2.507 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.840 -14.236 1.402 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.787 -14.251 3.792 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.419 -15.703 4.604 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.876 -15.778 3.722 1.00 0.00 H new ATOM 1025 N PHE A 74 -8.051 -18.923 4.088 1.00 0.00 N ATOM 1026 CA PHE A 74 -8.669 -19.530 5.261 1.00 0.00 C ATOM 1027 C PHE A 74 -7.695 -19.561 6.435 1.00 0.00 C ATOM 1028 O PHE A 74 -6.479 -19.598 6.246 1.00 0.00 O ATOM 1029 CB PHE A 74 -9.141 -20.950 4.938 1.00 0.00 C ATOM 1030 CG PHE A 74 -8.016 -21.911 4.682 1.00 0.00 C ATOM 1031 CD1 PHE A 74 -7.365 -21.928 3.459 1.00 0.00 C ATOM 1032 CD2 PHE A 74 -7.610 -22.800 5.665 1.00 0.00 C ATOM 1033 CE1 PHE A 74 -6.330 -22.811 3.220 1.00 0.00 C ATOM 1034 CE2 PHE A 74 -6.574 -23.685 5.432 1.00 0.00 C ATOM 1035 CZ PHE A 74 -5.934 -23.692 4.208 1.00 0.00 C ATOM 0 H PHE A 74 -7.269 -19.452 3.702 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.530 -18.923 5.542 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.744 -21.321 5.767 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.788 -20.919 4.062 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.671 -21.242 2.683 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.108 -22.801 6.623 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.831 -22.813 2.262 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.265 -24.371 6.207 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.126 -24.384 4.024 1.00 0.00 H new ATOM 1045 N TYR A 75 -8.239 -19.544 7.647 1.00 0.00 N ATOM 1046 CA TYR A 75 -7.419 -19.567 8.853 1.00 0.00 C ATOM 1047 C TYR A 75 -6.746 -20.924 9.028 1.00 0.00 C ATOM 1048 O TYR A 75 -6.970 -21.848 8.246 1.00 0.00 O ATOM 1049 CB TYR A 75 -8.273 -19.246 10.081 1.00 0.00 C ATOM 1050 CG TYR A 75 -8.491 -17.765 10.297 1.00 0.00 C ATOM 1051 CD1 TYR A 75 -7.551 -16.996 10.971 1.00 0.00 C ATOM 1052 CD2 TYR A 75 -9.637 -17.136 9.827 1.00 0.00 C ATOM 1053 CE1 TYR A 75 -7.746 -15.643 11.171 1.00 0.00 C ATOM 1054 CE2 TYR A 75 -9.840 -15.783 10.021 1.00 0.00 C ATOM 1055 CZ TYR A 75 -8.892 -15.041 10.694 1.00 0.00 C ATOM 1056 OH TYR A 75 -9.091 -13.694 10.891 1.00 0.00 O ATOM 0 H TYR A 75 -9.244 -19.514 7.820 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.643 -18.808 8.749 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -9.241 -19.736 9.978 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.795 -19.667 10.966 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -6.652 -17.464 11.345 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -10.382 -17.714 9.301 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.005 -15.060 11.698 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -10.736 -15.309 9.648 1.00 0.00 H new ATOM 0 HH TYR A 75 -9.946 -13.428 10.493 1.00 0.00 H new ATOM 1066 N LYS A 76 -5.918 -21.037 10.061 1.00 0.00 N ATOM 1067 CA LYS A 76 -5.212 -22.281 10.344 1.00 0.00 C ATOM 1068 C LYS A 76 -5.364 -22.673 11.810 1.00 0.00 C ATOM 1069 O LYS A 76 -5.369 -23.856 12.149 1.00 0.00 O ATOM 1070 CB LYS A 76 -3.729 -22.140 9.994 1.00 0.00 C ATOM 1071 CG LYS A 76 -2.974 -21.196 10.913 1.00 0.00 C ATOM 1072 CD LYS A 76 -2.324 -21.941 12.066 1.00 0.00 C ATOM 1073 CE LYS A 76 -1.511 -21.005 12.948 1.00 0.00 C ATOM 1074 NZ LYS A 76 -0.553 -21.749 13.812 1.00 0.00 N ATOM 0 H LYS A 76 -5.719 -20.281 10.717 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.652 -23.067 9.729 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.260 -23.123 10.033 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.639 -21.784 8.968 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.210 -20.667 10.344 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.658 -20.443 11.305 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.093 -22.430 12.664 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.678 -22.727 11.675 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.964 -20.300 12.322 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.185 -20.419 13.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.018 -21.076 14.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.077 -22.403 14.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.106 -22.288 13.215 1.00 0.00 H new ATOM 1088 N SER A 77 -5.489 -21.671 12.675 1.00 0.00 N ATOM 1089 CA SER A 77 -5.639 -21.911 14.106 1.00 0.00 C ATOM 1090 C SER A 77 -6.192 -20.675 14.809 1.00 0.00 C ATOM 1091 O SER A 77 -6.223 -19.585 14.240 1.00 0.00 O ATOM 1092 CB SER A 77 -4.295 -22.303 14.722 1.00 0.00 C ATOM 1093 OG SER A 77 -4.407 -22.475 16.124 1.00 0.00 O ATOM 0 H SER A 77 -5.489 -20.686 12.410 1.00 0.00 H new ATOM 0 HA SER A 77 -6.345 -22.730 14.240 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.938 -23.227 14.267 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.554 -21.534 14.505 1.00 0.00 H new ATOM 0 HG SER A 77 -4.592 -23.416 16.324 1.00 0.00 H new ATOM 1099 N GLY A 78 -6.629 -20.855 16.052 1.00 0.00 N ATOM 1100 CA GLY A 78 -7.176 -19.747 16.813 1.00 0.00 C ATOM 1101 C GLY A 78 -8.594 -20.009 17.280 1.00 0.00 C ATOM 1102 O GLY A 78 -9.244 -20.948 16.821 1.00 0.00 O ATOM 0 H GLY A 78 -6.614 -21.748 16.545 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.541 -19.556 17.678 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.159 -18.846 16.200 1.00 0.00 H new ATOM 1106 N THR A 79 -9.076 -19.177 18.198 1.00 0.00 N ATOM 1107 CA THR A 79 -10.425 -19.324 18.730 1.00 0.00 C ATOM 1108 C THR A 79 -11.459 -18.734 17.778 1.00 0.00 C ATOM 1109 O THR A 79 -11.406 -17.550 17.444 1.00 0.00 O ATOM 1110 CB THR A 79 -10.564 -18.645 20.105 1.00 0.00 C ATOM 1111 OG1 THR A 79 -9.585 -19.167 21.010 1.00 0.00 O ATOM 1112 CG2 THR A 79 -11.957 -18.861 20.678 1.00 0.00 C ATOM 0 H THR A 79 -8.552 -18.394 18.589 1.00 0.00 H new ATOM 0 HA THR A 79 -10.606 -20.393 18.841 1.00 0.00 H new ATOM 0 HB THR A 79 -10.404 -17.575 19.974 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.679 -18.729 21.882 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.031 -18.372 21.649 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.699 -18.437 20.001 1.00 0.00 H new ATOM 0 HG23 THR A 79 -12.141 -19.929 20.794 1.00 0.00 H new ATOM 1120 N PHE A 80 -12.400 -19.566 17.343 1.00 0.00 N ATOM 1121 CA PHE A 80 -13.447 -19.125 16.428 1.00 0.00 C ATOM 1122 C PHE A 80 -14.829 -19.367 17.027 1.00 0.00 C ATOM 1123 O PHE A 80 -15.057 -20.369 17.705 1.00 0.00 O ATOM 1124 CB PHE A 80 -13.324 -19.856 15.090 1.00 0.00 C ATOM 1125 CG PHE A 80 -12.050 -19.549 14.354 1.00 0.00 C ATOM 1126 CD1 PHE A 80 -11.951 -18.423 13.554 1.00 0.00 C ATOM 1127 CD2 PHE A 80 -10.953 -20.387 14.464 1.00 0.00 C ATOM 1128 CE1 PHE A 80 -10.781 -18.139 12.876 1.00 0.00 C ATOM 1129 CE2 PHE A 80 -9.779 -20.109 13.789 1.00 0.00 C ATOM 1130 CZ PHE A 80 -9.693 -18.982 12.994 1.00 0.00 C ATOM 0 H PHE A 80 -12.459 -20.549 17.609 1.00 0.00 H new ATOM 0 HA PHE A 80 -13.324 -18.055 16.262 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.383 -20.930 15.265 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.172 -19.589 14.460 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -12.798 -17.759 13.459 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.015 -21.269 15.085 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -10.717 -17.258 12.254 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -8.931 -20.771 13.883 1.00 0.00 H new ATOM 0 HZ PHE A 80 -8.777 -18.761 12.466 1.00 0.00 H new ATOM 1140 N ARG A 81 -15.748 -18.441 16.773 1.00 0.00 N ATOM 1141 CA ARG A 81 -17.108 -18.552 17.287 1.00 0.00 C ATOM 1142 C ARG A 81 -17.915 -19.563 16.478 1.00 0.00 C ATOM 1143 O ARG A 81 -17.933 -19.516 15.248 1.00 0.00 O ATOM 1144 CB ARG A 81 -17.800 -17.188 17.256 1.00 0.00 C ATOM 1145 CG ARG A 81 -17.543 -16.346 18.495 1.00 0.00 C ATOM 1146 CD ARG A 81 -18.493 -15.161 18.571 1.00 0.00 C ATOM 1147 NE ARG A 81 -18.125 -14.105 17.632 1.00 0.00 N ATOM 1148 CZ ARG A 81 -18.910 -13.073 17.343 1.00 0.00 C ATOM 1149 NH1 ARG A 81 -20.100 -12.959 17.917 1.00 0.00 N ATOM 1150 NH2 ARG A 81 -18.505 -12.151 16.479 1.00 0.00 N ATOM 0 H ARG A 81 -15.575 -17.605 16.214 1.00 0.00 H new ATOM 0 HA ARG A 81 -17.053 -18.900 18.318 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -17.462 -16.639 16.377 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -18.874 -17.337 17.145 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -17.658 -16.963 19.386 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -16.513 -15.988 18.486 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -19.509 -15.496 18.360 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -18.493 -14.761 19.585 1.00 0.00 H new ATOM 0 HE ARG A 81 -17.216 -14.163 17.173 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -20.415 -13.665 18.583 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -20.700 -12.165 17.693 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -17.590 -12.234 16.036 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -19.109 -11.359 16.258 1.00 0.00 H new ATOM 1164 N TYR A 82 -18.581 -20.476 17.177 1.00 0.00 N ATOM 1165 CA TYR A 82 -19.387 -21.500 16.524 1.00 0.00 C ATOM 1166 C TYR A 82 -20.715 -20.923 16.044 1.00 0.00 C ATOM 1167 O TYR A 82 -21.153 -21.192 14.925 1.00 0.00 O ATOM 1168 CB TYR A 82 -19.641 -22.666 17.480 1.00 0.00 C ATOM 1169 CG TYR A 82 -20.599 -23.700 16.934 1.00 0.00 C ATOM 1170 CD1 TYR A 82 -21.943 -23.402 16.749 1.00 0.00 C ATOM 1171 CD2 TYR A 82 -20.159 -24.976 16.601 1.00 0.00 C ATOM 1172 CE1 TYR A 82 -22.822 -24.344 16.251 1.00 0.00 C ATOM 1173 CE2 TYR A 82 -21.031 -25.924 16.100 1.00 0.00 C ATOM 1174 CZ TYR A 82 -22.361 -25.603 15.928 1.00 0.00 C ATOM 1175 OH TYR A 82 -23.233 -26.544 15.430 1.00 0.00 O ATOM 0 H TYR A 82 -18.578 -20.527 18.196 1.00 0.00 H new ATOM 0 HA TYR A 82 -18.834 -21.863 15.658 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -18.691 -23.149 17.711 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -20.037 -22.276 18.418 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -22.307 -22.416 16.999 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -19.118 -25.231 16.736 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -23.864 -24.096 16.115 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -20.673 -26.910 15.845 1.00 0.00 H new ATOM 0 HH TYR A 82 -23.949 -26.096 14.933 1.00 0.00 H new ATOM 1185 N GLU A 83 -21.351 -20.128 16.898 1.00 0.00 N ATOM 1186 CA GLU A 83 -22.630 -19.513 16.562 1.00 0.00 C ATOM 1187 C GLU A 83 -22.523 -18.707 15.271 1.00 0.00 C ATOM 1188 O GLU A 83 -23.509 -18.530 14.554 1.00 0.00 O ATOM 1189 CB GLU A 83 -23.102 -18.609 17.703 1.00 0.00 C ATOM 1190 CG GLU A 83 -22.350 -17.291 17.786 1.00 0.00 C ATOM 1191 CD GLU A 83 -22.855 -16.401 18.905 1.00 0.00 C ATOM 1192 OE1 GLU A 83 -22.743 -16.806 20.082 1.00 0.00 O ATOM 1193 OE2 GLU A 83 -23.361 -15.300 18.605 1.00 0.00 O ATOM 0 H GLU A 83 -21.002 -19.895 17.828 1.00 0.00 H new ATOM 0 HA GLU A 83 -23.359 -20.309 16.414 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -24.165 -18.404 17.577 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -22.990 -19.142 18.647 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -21.289 -17.491 17.937 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -22.443 -16.763 16.837 1.00 0.00 H new ATOM 1200 N ASP A 84 -21.321 -18.221 14.981 1.00 0.00 N ATOM 1201 CA ASP A 84 -21.085 -17.435 13.776 1.00 0.00 C ATOM 1202 C ASP A 84 -20.847 -18.342 12.573 1.00 0.00 C ATOM 1203 O ASP A 84 -21.530 -18.232 11.555 1.00 0.00 O ATOM 1204 CB ASP A 84 -19.886 -16.506 13.975 1.00 0.00 C ATOM 1205 CG ASP A 84 -19.995 -15.236 13.155 1.00 0.00 C ATOM 1206 OD1 ASP A 84 -21.072 -14.605 13.180 1.00 0.00 O ATOM 1207 OD2 ASP A 84 -19.003 -14.873 12.488 1.00 0.00 O ATOM 0 H ASP A 84 -20.495 -18.358 15.564 1.00 0.00 H new ATOM 0 HA ASP A 84 -21.974 -16.834 13.584 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -19.802 -16.247 15.031 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -18.972 -17.034 13.702 1.00 0.00 H new ATOM 1212 N VAL A 85 -19.873 -19.238 12.697 1.00 0.00 N ATOM 1213 CA VAL A 85 -19.545 -20.164 11.620 1.00 0.00 C ATOM 1214 C VAL A 85 -20.797 -20.845 11.080 1.00 0.00 C ATOM 1215 O VAL A 85 -21.590 -21.403 11.839 1.00 0.00 O ATOM 1216 CB VAL A 85 -18.550 -21.242 12.090 1.00 0.00 C ATOM 1217 CG1 VAL A 85 -18.162 -22.152 10.935 1.00 0.00 C ATOM 1218 CG2 VAL A 85 -17.319 -20.597 12.708 1.00 0.00 C ATOM 0 H VAL A 85 -19.297 -19.342 13.533 1.00 0.00 H new ATOM 0 HA VAL A 85 -19.084 -19.576 10.827 1.00 0.00 H new ATOM 0 HB VAL A 85 -19.035 -21.851 12.853 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -17.459 -22.907 11.287 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -19.053 -22.641 10.542 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -17.696 -21.561 10.147 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.627 -21.373 13.035 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -16.830 -19.963 11.968 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -17.616 -19.992 13.565 1.00 0.00 H new ATOM 1228 N LEU A 86 -20.970 -20.796 9.764 1.00 0.00 N ATOM 1229 CA LEU A 86 -22.127 -21.408 9.120 1.00 0.00 C ATOM 1230 C LEU A 86 -21.835 -22.856 8.738 1.00 0.00 C ATOM 1231 O LEU A 86 -21.493 -23.149 7.592 1.00 0.00 O ATOM 1232 CB LEU A 86 -22.526 -20.611 7.877 1.00 0.00 C ATOM 1233 CG LEU A 86 -23.963 -20.800 7.391 1.00 0.00 C ATOM 1234 CD1 LEU A 86 -24.949 -20.298 8.434 1.00 0.00 C ATOM 1235 CD2 LEU A 86 -24.176 -20.084 6.065 1.00 0.00 C ATOM 0 H LEU A 86 -20.323 -20.338 9.121 1.00 0.00 H new ATOM 0 HA LEU A 86 -22.954 -21.398 9.830 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -22.370 -19.552 8.083 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -21.851 -20.880 7.065 1.00 0.00 H new ATOM 0 HG LEU A 86 -24.138 -21.865 7.238 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -25.967 -20.441 8.071 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -24.813 -20.855 9.361 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -24.775 -19.238 8.619 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -25.204 -20.229 5.734 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -23.983 -19.019 6.192 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -23.494 -20.490 5.318 1.00 0.00 H new ATOM 1247 N TRP A 87 -21.973 -23.757 9.704 1.00 0.00 N ATOM 1248 CA TRP A 87 -21.726 -25.175 9.468 1.00 0.00 C ATOM 1249 C TRP A 87 -22.784 -25.765 8.542 1.00 0.00 C ATOM 1250 O TRP A 87 -23.931 -25.319 8.507 1.00 0.00 O ATOM 1251 CB TRP A 87 -21.708 -25.938 10.793 1.00 0.00 C ATOM 1252 CG TRP A 87 -20.878 -25.274 11.850 1.00 0.00 C ATOM 1253 CD1 TRP A 87 -21.282 -24.300 12.718 1.00 0.00 C ATOM 1254 CD2 TRP A 87 -19.502 -25.533 12.148 1.00 0.00 C ATOM 1255 NE1 TRP A 87 -20.240 -23.939 13.538 1.00 0.00 N ATOM 1256 CE2 TRP A 87 -19.137 -24.681 13.208 1.00 0.00 C ATOM 1257 CE3 TRP A 87 -18.543 -26.404 11.623 1.00 0.00 C ATOM 1258 CZ2 TRP A 87 -17.855 -24.676 13.751 1.00 0.00 C ATOM 1259 CZ3 TRP A 87 -17.270 -26.397 12.162 1.00 0.00 C ATOM 1260 CH2 TRP A 87 -16.936 -25.538 13.218 1.00 0.00 C ATOM 0 H TRP A 87 -22.255 -23.531 10.658 1.00 0.00 H new ATOM 0 HA TRP A 87 -20.753 -25.274 8.987 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -22.730 -26.044 11.157 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -21.326 -26.944 10.620 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -22.275 -23.876 12.755 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -20.281 -23.233 14.273 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -18.792 -27.071 10.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -17.595 -24.015 14.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -16.521 -27.064 11.763 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -15.933 -25.557 13.619 1.00 0.00 H new ATOM 1271 N PRO A 88 -22.393 -26.792 7.773 1.00 0.00 N ATOM 1272 CA PRO A 88 -23.294 -27.465 6.833 1.00 0.00 C ATOM 1273 C PRO A 88 -24.369 -28.279 7.543 1.00 0.00 C ATOM 1274 O PRO A 88 -24.130 -28.842 8.611 1.00 0.00 O ATOM 1275 CB PRO A 88 -22.359 -28.386 6.044 1.00 0.00 C ATOM 1276 CG PRO A 88 -21.211 -28.635 6.960 1.00 0.00 C ATOM 1277 CD PRO A 88 -21.041 -27.375 7.762 1.00 0.00 C ATOM 0 HA PRO A 88 -23.840 -26.755 6.212 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -22.857 -29.316 5.772 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -22.031 -27.917 5.117 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -21.408 -29.488 7.610 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.306 -28.865 6.398 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.686 -27.586 8.771 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.317 -26.702 7.304 1.00 0.00 H new ATOM 1285 N GLU A 89 -25.554 -28.338 6.943 1.00 0.00 N ATOM 1286 CA GLU A 89 -26.666 -29.084 7.520 1.00 0.00 C ATOM 1287 C GLU A 89 -26.356 -30.578 7.561 1.00 0.00 C ATOM 1288 O GLU A 89 -26.770 -31.283 8.480 1.00 0.00 O ATOM 1289 CB GLU A 89 -27.945 -28.840 6.717 1.00 0.00 C ATOM 1290 CG GLU A 89 -27.921 -29.460 5.330 1.00 0.00 C ATOM 1291 CD GLU A 89 -29.203 -29.214 4.559 1.00 0.00 C ATOM 1292 OE1 GLU A 89 -30.164 -29.990 4.741 1.00 0.00 O ATOM 1293 OE2 GLU A 89 -29.244 -28.245 3.772 1.00 0.00 O ATOM 0 H GLU A 89 -25.768 -27.878 6.058 1.00 0.00 H new ATOM 0 HA GLU A 89 -26.814 -28.733 8.541 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -28.794 -29.242 7.271 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -28.105 -27.766 6.623 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -27.080 -29.053 4.769 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -27.755 -30.534 5.419 1.00 0.00 H new ATOM 1300 N ALA A 90 -25.625 -31.052 6.558 1.00 0.00 N ATOM 1301 CA ALA A 90 -25.258 -32.460 6.479 1.00 0.00 C ATOM 1302 C ALA A 90 -25.050 -33.052 7.870 1.00 0.00 C ATOM 1303 O ALA A 90 -25.510 -34.156 8.160 1.00 0.00 O ATOM 1304 CB ALA A 90 -24.002 -32.632 5.637 1.00 0.00 C ATOM 0 H ALA A 90 -25.275 -30.481 5.788 1.00 0.00 H new ATOM 0 HA ALA A 90 -26.078 -32.997 6.003 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -23.740 -33.689 5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -24.184 -32.255 4.631 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -23.181 -32.076 6.090 1.00 0.00 H new ATOM 1310 N ALA A 91 -24.352 -32.311 8.725 1.00 0.00 N ATOM 1311 CA ALA A 91 -24.085 -32.762 10.085 1.00 0.00 C ATOM 1312 C ALA A 91 -25.283 -32.507 10.993 1.00 0.00 C ATOM 1313 O ALA A 91 -25.768 -31.380 11.095 1.00 0.00 O ATOM 1314 CB ALA A 91 -22.846 -32.072 10.635 1.00 0.00 C ATOM 0 H ALA A 91 -23.962 -31.396 8.500 1.00 0.00 H new ATOM 0 HA ALA A 91 -23.907 -33.837 10.057 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -22.658 -32.418 11.651 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -21.988 -32.310 10.006 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -23.003 -30.993 10.642 1.00 0.00 H new ATOM 1320 N SER A 92 -25.755 -33.561 11.651 1.00 0.00 N ATOM 1321 CA SER A 92 -26.899 -33.451 12.549 1.00 0.00 C ATOM 1322 C SER A 92 -26.443 -33.222 13.986 1.00 0.00 C ATOM 1323 O SER A 92 -27.115 -32.541 14.761 1.00 0.00 O ATOM 1324 CB SER A 92 -27.759 -34.715 12.470 1.00 0.00 C ATOM 1325 OG SER A 92 -28.674 -34.643 11.391 1.00 0.00 O ATOM 0 H SER A 92 -25.363 -34.500 11.579 1.00 0.00 H new ATOM 0 HA SER A 92 -27.494 -32.594 12.235 1.00 0.00 H new ATOM 0 HB2 SER A 92 -27.118 -35.588 12.349 1.00 0.00 H new ATOM 0 HB3 SER A 92 -28.304 -34.847 13.405 1.00 0.00 H new ATOM 0 HG SER A 92 -29.210 -35.463 11.361 1.00 0.00 H new ATOM 1331 N ASP A 93 -25.296 -33.795 14.334 1.00 0.00 N ATOM 1332 CA ASP A 93 -24.747 -33.653 15.678 1.00 0.00 C ATOM 1333 C ASP A 93 -24.037 -32.312 15.836 1.00 0.00 C ATOM 1334 O ASP A 93 -22.990 -32.080 15.233 1.00 0.00 O ATOM 1335 CB ASP A 93 -23.778 -34.797 15.980 1.00 0.00 C ATOM 1336 CG ASP A 93 -22.859 -34.485 17.144 1.00 0.00 C ATOM 1337 OD1 ASP A 93 -23.369 -34.081 18.210 1.00 0.00 O ATOM 1338 OD2 ASP A 93 -21.630 -34.644 16.990 1.00 0.00 O ATOM 0 H ASP A 93 -24.728 -34.362 13.704 1.00 0.00 H new ATOM 0 HA ASP A 93 -25.574 -33.691 16.388 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -24.345 -35.701 16.201 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -23.179 -35.005 15.094 1.00 0.00 H new ATOM 1343 N GLU A 94 -24.614 -31.435 16.651 1.00 0.00 N ATOM 1344 CA GLU A 94 -24.037 -30.117 16.886 1.00 0.00 C ATOM 1345 C GLU A 94 -22.608 -30.234 17.408 1.00 0.00 C ATOM 1346 O GLU A 94 -21.847 -29.266 17.394 1.00 0.00 O ATOM 1347 CB GLU A 94 -24.892 -29.330 17.881 1.00 0.00 C ATOM 1348 CG GLU A 94 -24.686 -29.750 19.326 1.00 0.00 C ATOM 1349 CD GLU A 94 -23.531 -29.022 19.986 1.00 0.00 C ATOM 1350 OE1 GLU A 94 -23.688 -27.824 20.300 1.00 0.00 O ATOM 1351 OE2 GLU A 94 -22.471 -29.651 20.189 1.00 0.00 O ATOM 0 H GLU A 94 -25.480 -31.613 17.159 1.00 0.00 H new ATOM 0 HA GLU A 94 -24.016 -29.584 15.936 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -24.663 -28.269 17.784 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -25.943 -29.454 17.622 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -25.600 -29.560 19.889 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -24.504 -30.824 19.366 1.00 0.00 H new ATOM 1358 N THR A 95 -22.250 -31.428 17.872 1.00 0.00 N ATOM 1359 CA THR A 95 -20.914 -31.673 18.401 1.00 0.00 C ATOM 1360 C THR A 95 -19.954 -32.098 17.296 1.00 0.00 C ATOM 1361 O THR A 95 -18.738 -31.964 17.430 1.00 0.00 O ATOM 1362 CB THR A 95 -20.934 -32.759 19.493 1.00 0.00 C ATOM 1363 OG1 THR A 95 -21.985 -32.494 20.429 1.00 0.00 O ATOM 1364 CG2 THR A 95 -19.601 -32.815 20.224 1.00 0.00 C ATOM 0 H THR A 95 -22.867 -32.240 17.892 1.00 0.00 H new ATOM 0 HA THR A 95 -20.569 -30.735 18.837 1.00 0.00 H new ATOM 0 HB THR A 95 -21.109 -33.722 19.013 1.00 0.00 H new ATOM 0 HG1 THR A 95 -22.209 -31.540 20.408 1.00 0.00 H new ATOM 0 HG21 THR A 95 -19.639 -33.589 20.991 1.00 0.00 H new ATOM 0 HG22 THR A 95 -18.806 -33.045 19.514 1.00 0.00 H new ATOM 0 HG23 THR A 95 -19.402 -31.851 20.692 1.00 0.00 H new ATOM 1372 N LYS A 96 -20.508 -32.610 16.202 1.00 0.00 N ATOM 1373 CA LYS A 96 -19.701 -33.053 15.071 1.00 0.00 C ATOM 1374 C LYS A 96 -18.941 -31.884 14.454 1.00 0.00 C ATOM 1375 O LYS A 96 -17.710 -31.870 14.437 1.00 0.00 O ATOM 1376 CB LYS A 96 -20.588 -33.714 14.013 1.00 0.00 C ATOM 1377 CG LYS A 96 -19.879 -34.792 13.212 1.00 0.00 C ATOM 1378 CD LYS A 96 -19.111 -34.202 12.041 1.00 0.00 C ATOM 1379 CE LYS A 96 -18.057 -35.168 11.522 1.00 0.00 C ATOM 1380 NZ LYS A 96 -16.954 -35.364 12.504 1.00 0.00 N ATOM 0 H LYS A 96 -21.513 -32.728 16.075 1.00 0.00 H new ATOM 0 HA LYS A 96 -18.977 -33.782 15.436 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -21.459 -34.150 14.502 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -20.956 -32.949 13.330 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -19.193 -35.337 13.861 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -20.609 -35.512 12.843 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -19.805 -33.953 11.238 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -18.633 -33.272 12.349 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -18.522 -36.129 11.301 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -17.647 -34.790 10.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.061 -35.023 12.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -17.163 -34.831 13.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -16.867 -36.375 12.731 1.00 0.00 H new ATOM 1394 N LYS A 97 -19.681 -30.903 13.948 1.00 0.00 N ATOM 1395 CA LYS A 97 -19.077 -29.728 13.332 1.00 0.00 C ATOM 1396 C LYS A 97 -17.932 -29.194 14.186 1.00 0.00 C ATOM 1397 O LYS A 97 -16.823 -28.984 13.693 1.00 0.00 O ATOM 1398 CB LYS A 97 -20.129 -28.635 13.131 1.00 0.00 C ATOM 1399 CG LYS A 97 -21.294 -28.726 14.102 1.00 0.00 C ATOM 1400 CD LYS A 97 -22.429 -29.562 13.534 1.00 0.00 C ATOM 1401 CE LYS A 97 -23.431 -28.703 12.779 1.00 0.00 C ATOM 1402 NZ LYS A 97 -24.781 -29.331 12.739 1.00 0.00 N ATOM 0 H LYS A 97 -20.701 -30.899 13.953 1.00 0.00 H new ATOM 0 HA LYS A 97 -18.677 -30.022 12.362 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -19.653 -27.660 13.238 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -20.511 -28.693 12.112 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -20.953 -29.163 15.041 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -21.658 -27.724 14.330 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -22.023 -30.322 12.866 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -22.936 -30.087 14.344 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -23.500 -27.724 13.253 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -23.076 -28.540 11.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -25.498 -28.602 12.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -24.808 -30.048 11.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -24.981 -29.783 13.654 1.00 0.00 H new ATOM 1416 N ARG A 98 -18.206 -28.978 15.469 1.00 0.00 N ATOM 1417 CA ARG A 98 -17.198 -28.469 16.391 1.00 0.00 C ATOM 1418 C ARG A 98 -16.049 -29.462 16.542 1.00 0.00 C ATOM 1419 O ARG A 98 -14.899 -29.072 16.746 1.00 0.00 O ATOM 1420 CB ARG A 98 -17.823 -28.185 17.757 1.00 0.00 C ATOM 1421 CG ARG A 98 -18.421 -29.414 18.422 1.00 0.00 C ATOM 1422 CD ARG A 98 -19.067 -29.069 19.755 1.00 0.00 C ATOM 1423 NE ARG A 98 -20.243 -28.220 19.589 1.00 0.00 N ATOM 1424 CZ ARG A 98 -20.188 -26.896 19.501 1.00 0.00 C ATOM 1425 NH1 ARG A 98 -19.019 -26.272 19.562 1.00 0.00 N ATOM 1426 NH2 ARG A 98 -21.303 -26.192 19.352 1.00 0.00 N ATOM 0 H ARG A 98 -19.118 -29.148 15.893 1.00 0.00 H new ATOM 0 HA ARG A 98 -16.802 -27.540 15.980 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -17.063 -27.761 18.413 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -18.601 -27.431 17.641 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -19.164 -29.861 17.761 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -17.642 -30.160 18.577 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -19.352 -29.987 20.268 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -18.340 -28.562 20.390 1.00 0.00 H new ATOM 0 HE ARG A 98 -21.158 -28.669 19.538 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -18.160 -26.809 19.677 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -18.980 -25.255 19.494 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -22.204 -26.668 19.305 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -21.259 -25.175 19.285 1.00 0.00 H new ATOM 1440 N THR A 99 -16.368 -30.749 16.441 1.00 0.00 N ATOM 1441 CA THR A 99 -15.364 -31.798 16.569 1.00 0.00 C ATOM 1442 C THR A 99 -14.714 -32.102 15.224 1.00 0.00 C ATOM 1443 O THR A 99 -13.711 -32.811 15.156 1.00 0.00 O ATOM 1444 CB THR A 99 -15.974 -33.093 17.136 1.00 0.00 C ATOM 1445 OG1 THR A 99 -16.524 -32.847 18.435 1.00 0.00 O ATOM 1446 CG2 THR A 99 -14.926 -34.192 17.224 1.00 0.00 C ATOM 0 H THR A 99 -17.314 -31.090 16.271 1.00 0.00 H new ATOM 0 HA THR A 99 -14.607 -31.429 17.261 1.00 0.00 H new ATOM 0 HB THR A 99 -16.766 -33.421 16.462 1.00 0.00 H new ATOM 0 HG1 THR A 99 -17.282 -32.230 18.358 1.00 0.00 H new ATOM 0 HG21 THR A 99 -15.381 -35.097 17.627 1.00 0.00 H new ATOM 0 HG22 THR A 99 -14.530 -34.397 16.230 1.00 0.00 H new ATOM 0 HG23 THR A 99 -14.116 -33.870 17.878 1.00 0.00 H new ATOM 1454 N ALA A 100 -15.292 -31.561 14.157 1.00 0.00 N ATOM 1455 CA ALA A 100 -14.766 -31.773 12.814 1.00 0.00 C ATOM 1456 C ALA A 100 -13.305 -31.347 12.722 1.00 0.00 C ATOM 1457 O ALA A 100 -12.575 -31.782 11.831 1.00 0.00 O ATOM 1458 CB ALA A 100 -15.604 -31.017 11.793 1.00 0.00 C ATOM 0 H ALA A 100 -16.124 -30.973 14.196 1.00 0.00 H new ATOM 0 HA ALA A 100 -14.820 -32.839 12.594 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -15.200 -31.184 10.795 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -16.633 -31.373 11.832 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -15.580 -29.951 12.020 1.00 0.00 H new ATOM 1464 N PHE A 101 -12.884 -30.492 13.649 1.00 0.00 N ATOM 1465 CA PHE A 101 -11.509 -30.006 13.672 1.00 0.00 C ATOM 1466 C PHE A 101 -10.637 -30.881 14.566 1.00 0.00 C ATOM 1467 O PHE A 101 -9.654 -30.415 15.141 1.00 0.00 O ATOM 1468 CB PHE A 101 -11.467 -28.556 14.161 1.00 0.00 C ATOM 1469 CG PHE A 101 -11.842 -27.556 13.105 1.00 0.00 C ATOM 1470 CD1 PHE A 101 -11.009 -27.327 12.022 1.00 0.00 C ATOM 1471 CD2 PHE A 101 -13.028 -26.845 13.195 1.00 0.00 C ATOM 1472 CE1 PHE A 101 -11.352 -26.408 11.048 1.00 0.00 C ATOM 1473 CE2 PHE A 101 -13.376 -25.925 12.224 1.00 0.00 C ATOM 1474 CZ PHE A 101 -12.536 -25.705 11.150 1.00 0.00 C ATOM 0 H PHE A 101 -13.475 -30.122 14.393 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.117 -30.052 12.656 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -12.143 -28.447 15.009 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.463 -28.332 14.522 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.081 -27.873 11.938 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -13.688 -27.012 14.033 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -10.694 -26.240 10.208 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -14.304 -25.379 12.305 1.00 0.00 H new ATOM 0 HZ PHE A 101 -12.805 -24.985 10.392 1.00 0.00 H new ATOM 1484 N ALA A 102 -11.004 -32.154 14.678 1.00 0.00 N ATOM 1485 CA ALA A 102 -10.256 -33.096 15.501 1.00 0.00 C ATOM 1486 C ALA A 102 -8.876 -33.365 14.909 1.00 0.00 C ATOM 1487 O ALA A 102 -8.755 -33.915 13.816 1.00 0.00 O ATOM 1488 CB ALA A 102 -11.030 -34.397 15.651 1.00 0.00 C ATOM 0 H ALA A 102 -11.815 -32.556 14.209 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.120 -32.651 16.487 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.459 -35.091 16.268 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -11.991 -34.196 16.125 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.195 -34.837 14.668 1.00 0.00 H new ATOM 1494 N GLY A 103 -7.837 -32.972 15.640 1.00 0.00 N ATOM 1495 CA GLY A 103 -6.479 -33.178 15.170 1.00 0.00 C ATOM 1496 C GLY A 103 -5.762 -31.875 14.880 1.00 0.00 C ATOM 1497 O GLY A 103 -4.538 -31.793 14.990 1.00 0.00 O ATOM 0 H GLY A 103 -7.911 -32.515 16.549 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -5.920 -33.738 15.919 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.499 -33.787 14.266 1.00 0.00 H new ATOM 1501 N THR A 104 -6.524 -30.852 14.506 1.00 0.00 N ATOM 1502 CA THR A 104 -5.953 -29.547 14.196 1.00 0.00 C ATOM 1503 C THR A 104 -5.802 -28.700 15.454 1.00 0.00 C ATOM 1504 O THR A 104 -6.372 -29.016 16.498 1.00 0.00 O ATOM 1505 CB THR A 104 -6.819 -28.783 13.177 1.00 0.00 C ATOM 1506 OG1 THR A 104 -8.160 -28.665 13.665 1.00 0.00 O ATOM 1507 CG2 THR A 104 -6.824 -29.492 11.831 1.00 0.00 C ATOM 0 H THR A 104 -7.538 -30.902 14.410 1.00 0.00 H new ATOM 0 HA THR A 104 -4.969 -29.727 13.763 1.00 0.00 H new ATOM 0 HB THR A 104 -6.392 -27.789 13.044 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.416 -29.494 14.121 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.442 -28.934 11.128 1.00 0.00 H new ATOM 0 HG22 THR A 104 -5.805 -29.554 11.449 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.228 -30.497 11.951 1.00 0.00 H new ATOM 1515 N ALA A 105 -5.032 -27.623 15.348 1.00 0.00 N ATOM 1516 CA ALA A 105 -4.809 -26.728 16.477 1.00 0.00 C ATOM 1517 C ALA A 105 -5.859 -25.624 16.519 1.00 0.00 C ATOM 1518 O ALA A 105 -5.620 -24.547 17.065 1.00 0.00 O ATOM 1519 CB ALA A 105 -3.412 -26.129 16.408 1.00 0.00 C ATOM 0 H ALA A 105 -4.551 -27.348 14.491 1.00 0.00 H new ATOM 0 HA ALA A 105 -4.897 -27.311 17.394 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -3.259 -25.463 17.257 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -2.672 -26.928 16.436 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -3.303 -25.566 15.481 1.00 0.00 H new ATOM 1525 N ILE A 106 -7.023 -25.898 15.938 1.00 0.00 N ATOM 1526 CA ILE A 106 -8.109 -24.927 15.910 1.00 0.00 C ATOM 1527 C ILE A 106 -9.092 -25.169 17.051 1.00 0.00 C ATOM 1528 O ILE A 106 -9.398 -26.312 17.388 1.00 0.00 O ATOM 1529 CB ILE A 106 -8.872 -24.974 14.572 1.00 0.00 C ATOM 1530 CG1 ILE A 106 -8.016 -24.380 13.452 1.00 0.00 C ATOM 1531 CG2 ILE A 106 -10.193 -24.230 14.689 1.00 0.00 C ATOM 1532 CD1 ILE A 106 -8.417 -24.851 12.071 1.00 0.00 C ATOM 0 H ILE A 106 -7.237 -26.784 15.481 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.655 -23.943 16.026 1.00 0.00 H new ATOM 0 HB ILE A 106 -9.085 -26.015 14.328 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -8.085 -23.293 13.491 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.972 -24.640 13.627 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -10.720 -24.272 13.736 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.805 -24.694 15.463 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -10.003 -23.190 14.952 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -7.768 -24.390 11.327 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -8.321 -25.935 12.014 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -9.451 -24.568 11.876 1.00 0.00 H new ATOM 1544 N SER A 107 -9.584 -24.084 17.640 1.00 0.00 N ATOM 1545 CA SER A 107 -10.531 -24.177 18.745 1.00 0.00 C ATOM 1546 C SER A 107 -11.815 -23.419 18.425 1.00 0.00 C ATOM 1547 O SER A 107 -11.777 -22.303 17.905 1.00 0.00 O ATOM 1548 CB SER A 107 -9.906 -23.626 20.028 1.00 0.00 C ATOM 1549 OG SER A 107 -8.953 -24.530 20.560 1.00 0.00 O ATOM 0 H SER A 107 -9.343 -23.130 17.371 1.00 0.00 H new ATOM 0 HA SER A 107 -10.778 -25.228 18.892 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.428 -22.669 19.821 1.00 0.00 H new ATOM 0 HB3 SER A 107 -10.687 -23.440 20.766 1.00 0.00 H new ATOM 0 HG SER A 107 -8.567 -24.154 21.378 1.00 0.00 H new ATOM 1555 N ILE A 108 -12.951 -24.032 18.740 1.00 0.00 N ATOM 1556 CA ILE A 108 -14.248 -23.415 18.488 1.00 0.00 C ATOM 1557 C ILE A 108 -15.071 -23.322 19.768 1.00 0.00 C ATOM 1558 O ILE A 108 -15.007 -24.203 20.625 1.00 0.00 O ATOM 1559 CB ILE A 108 -15.048 -24.200 17.432 1.00 0.00 C ATOM 1560 CG1 ILE A 108 -16.247 -23.377 16.954 1.00 0.00 C ATOM 1561 CG2 ILE A 108 -15.507 -25.535 17.999 1.00 0.00 C ATOM 1562 CD1 ILE A 108 -15.879 -22.284 15.976 1.00 0.00 C ATOM 0 H ILE A 108 -13.000 -24.956 19.170 1.00 0.00 H new ATOM 0 HA ILE A 108 -14.052 -22.411 18.112 1.00 0.00 H new ATOM 0 HB ILE A 108 -14.400 -24.395 16.577 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -16.971 -24.044 16.486 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -16.738 -22.930 17.818 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -16.071 -26.078 17.241 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -14.638 -26.123 18.295 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -16.141 -25.362 18.868 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -16.778 -21.742 15.681 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -15.178 -21.595 16.447 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -15.415 -22.726 15.094 1.00 0.00 H new ATOM 1574 N VAL A 109 -15.846 -22.249 19.890 1.00 0.00 N ATOM 1575 CA VAL A 109 -16.685 -22.042 21.064 1.00 0.00 C ATOM 1576 C VAL A 109 -18.161 -22.216 20.722 1.00 0.00 C ATOM 1577 O VAL A 109 -18.873 -22.980 21.373 1.00 0.00 O ATOM 1578 CB VAL A 109 -16.471 -20.640 21.667 1.00 0.00 C ATOM 1579 CG1 VAL A 109 -17.463 -20.385 22.791 1.00 0.00 C ATOM 1580 CG2 VAL A 109 -15.040 -20.487 22.161 1.00 0.00 C ATOM 0 H VAL A 109 -15.910 -21.510 19.190 1.00 0.00 H new ATOM 0 HA VAL A 109 -16.394 -22.793 21.798 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.644 -19.897 20.888 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -17.297 -19.390 23.204 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -18.479 -20.451 22.402 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -17.326 -21.131 23.574 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -14.906 -19.491 22.584 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.837 -21.237 22.926 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -14.351 -20.623 21.328 1.00 0.00 H new