USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 759 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 51 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 69 ASN : amide:sc= -0.226 X(o=-0.23,f=-0.6) USER MOD Set 2.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -139:sc= 0.122 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -128:sc= -0.113 (180deg=-5.88!) USER MOD Single : A 26 MET CE :methyl -146:sc= -0.517 (180deg=-3.25!) USER MOD Single : A 27 SER OG : rot 47:sc= 0.0558 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.266 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0347) USER MOD Single : A 37 LYS NZ :NH3+ -139:sc= 0.858 (180deg=0.102) USER MOD Single : A 40 HIS : no HE2:sc= -0.643 K(o=-0.64,f=-1.5) USER MOD Single : A 48 SER OG : rot 180:sc= -0.075 USER MOD Single : A 59 THR OG1 : rot -129:sc= 1.21 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0469 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -114:sc= 1.28 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0.19) USER MOD Single : A 87 SER OG : rot -60:sc= 0.84 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 98 MET CE :methyl 164:sc= -2.22 (180deg=-2.64) USER MOD Single : A 104 ASN : amide:sc= -1.15 X(o=-1.2,f=-1) USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 255 N LYS A 19 12.235 -20.110 15.600 1.00 0.00 N ATOM 256 CA LYS A 19 11.235 -19.316 16.303 1.00 0.00 C ATOM 257 C LYS A 19 10.502 -18.387 15.340 1.00 0.00 C ATOM 258 O LYS A 19 10.946 -18.171 14.213 1.00 0.00 O ATOM 259 CB LYS A 19 11.894 -18.497 17.416 1.00 0.00 C ATOM 260 CG LYS A 19 11.886 -19.191 18.767 1.00 0.00 C ATOM 261 CD LYS A 19 12.951 -20.272 18.845 1.00 0.00 C ATOM 262 CE LYS A 19 13.752 -20.173 20.135 1.00 0.00 C ATOM 263 NZ LYS A 19 14.625 -21.362 20.338 1.00 0.00 N ATOM 0 HA LYS A 19 10.509 -20.000 16.744 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.924 -18.280 17.134 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.379 -17.540 17.505 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.053 -18.457 19.555 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.905 -19.632 18.945 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.480 -21.253 18.782 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.623 -20.185 17.991 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.365 -19.272 20.114 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.070 -20.075 20.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.599 -21.645 21.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.285 -22.147 19.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.602 -21.125 20.071 1.00 0.00 H new ATOM 277 N TYR A 20 9.379 -17.841 15.793 1.00 0.00 N ATOM 278 CA TYR A 20 8.584 -16.936 14.971 1.00 0.00 C ATOM 279 C TYR A 20 7.856 -15.912 15.836 1.00 0.00 C ATOM 280 O TYR A 20 7.526 -16.181 16.991 1.00 0.00 O ATOM 281 CB TYR A 20 7.574 -17.725 14.136 1.00 0.00 C ATOM 282 CG TYR A 20 6.188 -17.761 14.737 1.00 0.00 C ATOM 283 CD1 TYR A 20 5.882 -18.628 15.779 1.00 0.00 C ATOM 284 CD2 TYR A 20 5.182 -16.926 14.264 1.00 0.00 C ATOM 285 CE1 TYR A 20 4.617 -18.664 16.331 1.00 0.00 C ATOM 286 CE2 TYR A 20 3.914 -16.954 14.811 1.00 0.00 C ATOM 287 CZ TYR A 20 3.636 -17.825 15.844 1.00 0.00 C ATOM 288 OH TYR A 20 2.374 -17.857 16.391 1.00 0.00 O ATOM 0 H TYR A 20 8.999 -18.009 16.724 1.00 0.00 H new ATOM 0 HA TYR A 20 9.261 -16.404 14.302 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.518 -17.286 13.140 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.935 -18.746 14.015 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.647 -19.285 16.164 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.396 -16.244 13.455 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.397 -19.345 17.140 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.145 -16.298 14.432 1.00 0.00 H new ATOM 0 HH TYR A 20 1.803 -17.204 15.935 1.00 0.00 H new ATOM 298 N ILE A 21 7.607 -14.737 15.267 1.00 0.00 N ATOM 299 CA ILE A 21 6.917 -13.672 15.985 1.00 0.00 C ATOM 300 C ILE A 21 6.086 -12.817 15.033 1.00 0.00 C ATOM 301 O ILE A 21 5.672 -11.711 15.378 1.00 0.00 O ATOM 302 CB ILE A 21 7.908 -12.767 16.739 1.00 0.00 C ATOM 303 CG1 ILE A 21 8.942 -12.188 15.771 1.00 0.00 C ATOM 304 CG2 ILE A 21 8.593 -13.544 17.853 1.00 0.00 C ATOM 305 CD1 ILE A 21 9.772 -11.074 16.369 1.00 0.00 C ATOM 0 H ILE A 21 7.873 -14.499 14.311 1.00 0.00 H new ATOM 0 HA ILE A 21 6.257 -14.153 16.707 1.00 0.00 H new ATOM 0 HB ILE A 21 7.355 -11.941 17.186 1.00 0.00 H new ATOM 0 HG12 ILE A 21 9.605 -12.987 15.440 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.429 -11.813 14.886 1.00 0.00 H new ATOM 0 HG21 ILE A 21 9.291 -12.890 18.377 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.844 -13.911 18.554 1.00 0.00 H new ATOM 0 HG23 ILE A 21 9.136 -14.388 17.427 1.00 0.00 H new ATOM 0 HD11 ILE A 21 10.483 -10.712 15.627 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.118 -10.257 16.674 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.313 -11.449 17.237 1.00 0.00 H new ATOM 317 N GLY A 22 5.846 -13.339 13.834 1.00 0.00 N ATOM 318 CA GLY A 22 5.065 -12.610 12.852 1.00 0.00 C ATOM 319 C GLY A 22 5.532 -11.178 12.686 1.00 0.00 C ATOM 320 O GLY A 22 4.917 -10.252 13.216 1.00 0.00 O ATOM 0 H GLY A 22 6.178 -14.253 13.526 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.125 -13.122 11.892 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.017 -12.615 13.150 1.00 0.00 H new ATOM 324 N ILE A 23 6.623 -10.994 11.950 1.00 0.00 N ATOM 325 CA ILE A 23 7.172 -9.664 11.717 1.00 0.00 C ATOM 326 C ILE A 23 7.887 -9.593 10.372 1.00 0.00 C ATOM 327 O ILE A 23 8.644 -10.494 10.011 1.00 0.00 O ATOM 328 CB ILE A 23 8.155 -9.258 12.830 1.00 0.00 C ATOM 329 CG1 ILE A 23 9.367 -10.191 12.836 1.00 0.00 C ATOM 330 CG2 ILE A 23 7.459 -9.276 14.183 1.00 0.00 C ATOM 331 CD1 ILE A 23 10.614 -9.566 12.249 1.00 0.00 C ATOM 0 H ILE A 23 7.144 -11.749 11.505 1.00 0.00 H new ATOM 0 HA ILE A 23 6.331 -8.971 11.716 1.00 0.00 H new ATOM 0 HB ILE A 23 8.503 -8.244 12.635 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.573 -10.499 13.861 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.124 -11.093 12.275 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.167 -8.987 14.960 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.625 -8.574 14.172 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.086 -10.280 14.387 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.433 -10.284 12.286 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.426 -9.283 11.213 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.882 -8.680 12.824 1.00 0.00 H new ATOM 343 N ARG A 24 7.642 -8.514 9.635 1.00 0.00 N ATOM 344 CA ARG A 24 8.264 -8.324 8.329 1.00 0.00 C ATOM 345 C ARG A 24 9.262 -7.171 8.365 1.00 0.00 C ATOM 346 O ARG A 24 8.945 -6.077 8.832 1.00 0.00 O ATOM 347 CB ARG A 24 7.196 -8.056 7.267 1.00 0.00 C ATOM 348 CG ARG A 24 6.167 -9.168 7.143 1.00 0.00 C ATOM 349 CD ARG A 24 5.515 -9.173 5.769 1.00 0.00 C ATOM 350 NE ARG A 24 4.975 -10.485 5.424 1.00 0.00 N ATOM 351 CZ ARG A 24 4.314 -10.735 4.300 1.00 0.00 C ATOM 352 NH1 ARG A 24 4.112 -9.768 3.416 1.00 0.00 N ATOM 353 NH2 ARG A 24 3.853 -11.956 4.057 1.00 0.00 N ATOM 0 H ARG A 24 7.018 -7.759 9.919 1.00 0.00 H new ATOM 0 HA ARG A 24 8.800 -9.238 8.073 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.684 -7.124 7.506 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.683 -7.914 6.302 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.646 -10.130 7.323 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.402 -9.044 7.910 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.714 -8.434 5.745 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.247 -8.874 5.019 1.00 0.00 H new ATOM 0 HE ARG A 24 5.113 -11.252 6.083 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.465 -8.828 3.598 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.604 -9.963 2.553 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.006 -12.703 4.734 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.345 -12.147 3.193 1.00 0.00 H new ATOM 367 N MET A 25 10.469 -7.424 7.870 1.00 0.00 N ATOM 368 CA MET A 25 11.513 -6.406 7.845 1.00 0.00 C ATOM 369 C MET A 25 12.317 -6.484 6.551 1.00 0.00 C ATOM 370 O MET A 25 12.352 -7.523 5.892 1.00 0.00 O ATOM 371 CB MET A 25 12.444 -6.570 9.048 1.00 0.00 C ATOM 372 CG MET A 25 11.709 -6.804 10.357 1.00 0.00 C ATOM 373 SD MET A 25 12.812 -6.801 11.784 1.00 0.00 S ATOM 374 CE MET A 25 13.647 -8.371 11.569 1.00 0.00 C ATOM 0 H MET A 25 10.748 -8.325 7.481 1.00 0.00 H new ATOM 0 HA MET A 25 11.034 -5.428 7.896 1.00 0.00 H new ATOM 0 HB2 MET A 25 13.118 -7.407 8.864 1.00 0.00 H new ATOM 0 HB3 MET A 25 13.063 -5.678 9.143 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.951 -6.031 10.487 1.00 0.00 H new ATOM 0 HG3 MET A 25 11.185 -7.759 10.309 1.00 0.00 H new ATOM 0 HE1 MET A 25 13.582 -8.947 12.492 1.00 0.00 H new ATOM 0 HE2 MET A 25 13.173 -8.927 10.760 1.00 0.00 H new ATOM 0 HE3 MET A 25 14.694 -8.195 11.324 1.00 0.00 H new ATOM 384 N MET A 26 12.962 -5.378 6.192 1.00 0.00 N ATOM 385 CA MET A 26 13.766 -5.323 4.977 1.00 0.00 C ATOM 386 C MET A 26 15.171 -4.811 5.278 1.00 0.00 C ATOM 387 O MET A 26 15.352 -3.919 6.107 1.00 0.00 O ATOM 388 CB MET A 26 13.095 -4.425 3.936 1.00 0.00 C ATOM 389 CG MET A 26 12.997 -2.969 4.362 1.00 0.00 C ATOM 390 SD MET A 26 13.974 -1.872 3.316 1.00 0.00 S ATOM 391 CE MET A 26 13.318 -0.276 3.794 1.00 0.00 C ATOM 0 H MET A 26 12.943 -4.509 6.725 1.00 0.00 H new ATOM 0 HA MET A 26 13.845 -6.334 4.577 1.00 0.00 H new ATOM 0 HB2 MET A 26 13.654 -4.485 3.002 1.00 0.00 H new ATOM 0 HB3 MET A 26 12.093 -4.804 3.733 1.00 0.00 H new ATOM 0 HG2 MET A 26 11.953 -2.656 4.335 1.00 0.00 H new ATOM 0 HG3 MET A 26 13.332 -2.873 5.395 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.317 0.390 2.931 1.00 0.00 H new ATOM 0 HE2 MET A 26 12.299 -0.397 4.160 1.00 0.00 H new ATOM 0 HE3 MET A 26 13.939 0.151 4.582 1.00 0.00 H new ATOM 401 N SER A 27 16.162 -5.380 4.599 1.00 0.00 N ATOM 402 CA SER A 27 17.551 -4.983 4.797 1.00 0.00 C ATOM 403 C SER A 27 17.708 -3.472 4.664 1.00 0.00 C ATOM 404 O SER A 27 17.611 -2.919 3.567 1.00 0.00 O ATOM 405 CB SER A 27 18.455 -5.692 3.786 1.00 0.00 C ATOM 406 OG SER A 27 17.872 -5.694 2.495 1.00 0.00 O ATOM 0 H SER A 27 16.029 -6.117 3.907 1.00 0.00 H new ATOM 0 HA SER A 27 17.846 -5.274 5.805 1.00 0.00 H new ATOM 0 HB2 SER A 27 19.425 -5.196 3.750 1.00 0.00 H new ATOM 0 HB3 SER A 27 18.634 -6.717 4.109 1.00 0.00 H new ATOM 0 HG SER A 27 17.535 -4.798 2.287 1.00 0.00 H new ATOM 412 N LEU A 28 17.951 -2.808 5.789 1.00 0.00 N ATOM 413 CA LEU A 28 18.122 -1.359 5.800 1.00 0.00 C ATOM 414 C LEU A 28 19.464 -0.964 5.191 1.00 0.00 C ATOM 415 O LEU A 28 20.505 -1.520 5.541 1.00 0.00 O ATOM 416 CB LEU A 28 18.022 -0.825 7.230 1.00 0.00 C ATOM 417 CG LEU A 28 16.960 0.248 7.473 1.00 0.00 C ATOM 418 CD1 LEU A 28 16.858 0.572 8.956 1.00 0.00 C ATOM 419 CD2 LEU A 28 17.277 1.503 6.672 1.00 0.00 C ATOM 0 H LEU A 28 18.034 -3.249 6.705 1.00 0.00 H new ATOM 0 HA LEU A 28 17.327 -0.920 5.198 1.00 0.00 H new ATOM 0 HB2 LEU A 28 17.821 -1.664 7.897 1.00 0.00 H new ATOM 0 HB3 LEU A 28 18.993 -0.418 7.513 1.00 0.00 H new ATOM 0 HG LEU A 28 15.997 -0.139 7.139 1.00 0.00 H new ATOM 0 HD11 LEU A 28 16.097 1.337 9.110 1.00 0.00 H new ATOM 0 HD12 LEU A 28 16.584 -0.328 9.507 1.00 0.00 H new ATOM 0 HD13 LEU A 28 17.820 0.939 9.315 1.00 0.00 H new ATOM 0 HD21 LEU A 28 16.511 2.256 6.857 1.00 0.00 H new ATOM 0 HD22 LEU A 28 18.249 1.892 6.975 1.00 0.00 H new ATOM 0 HD23 LEU A 28 17.298 1.261 5.609 1.00 0.00 H new ATOM 431 N THR A 29 19.432 0.001 4.277 1.00 0.00 N ATOM 432 CA THR A 29 20.645 0.471 3.619 1.00 0.00 C ATOM 433 C THR A 29 20.936 1.924 3.977 1.00 0.00 C ATOM 434 O THR A 29 20.019 2.713 4.206 1.00 0.00 O ATOM 435 CB THR A 29 20.539 0.343 2.088 1.00 0.00 C ATOM 436 OG1 THR A 29 19.635 1.327 1.575 1.00 0.00 O ATOM 437 CG2 THR A 29 20.062 -1.046 1.693 1.00 0.00 C ATOM 0 H THR A 29 18.579 0.472 3.976 1.00 0.00 H new ATOM 0 HA THR A 29 21.461 -0.159 3.973 1.00 0.00 H new ATOM 0 HB THR A 29 21.530 0.504 1.663 1.00 0.00 H new ATOM 0 HG1 THR A 29 19.575 1.240 0.601 1.00 0.00 H new ATOM 0 HG21 THR A 29 19.995 -1.113 0.607 1.00 0.00 H new ATOM 0 HG22 THR A 29 20.768 -1.791 2.059 1.00 0.00 H new ATOM 0 HG23 THR A 29 19.080 -1.231 2.129 1.00 0.00 H new ATOM 445 N SER A 30 22.218 2.271 4.024 1.00 0.00 N ATOM 446 CA SER A 30 22.630 3.630 4.357 1.00 0.00 C ATOM 447 C SER A 30 21.912 4.647 3.476 1.00 0.00 C ATOM 448 O SER A 30 21.651 5.775 3.897 1.00 0.00 O ATOM 449 CB SER A 30 24.145 3.780 4.197 1.00 0.00 C ATOM 450 OG SER A 30 24.479 4.219 2.892 1.00 0.00 O ATOM 0 H SER A 30 22.989 1.630 3.836 1.00 0.00 H new ATOM 0 HA SER A 30 22.360 3.820 5.396 1.00 0.00 H new ATOM 0 HB2 SER A 30 24.523 4.492 4.931 1.00 0.00 H new ATOM 0 HB3 SER A 30 24.631 2.826 4.399 1.00 0.00 H new ATOM 0 HG SER A 30 25.452 4.309 2.816 1.00 0.00 H new ATOM 456 N SER A 31 21.594 4.240 2.252 1.00 0.00 N ATOM 457 CA SER A 31 20.908 5.117 1.309 1.00 0.00 C ATOM 458 C SER A 31 19.404 5.118 1.563 1.00 0.00 C ATOM 459 O SER A 31 18.723 6.115 1.325 1.00 0.00 O ATOM 460 CB SER A 31 21.194 4.677 -0.129 1.00 0.00 C ATOM 461 OG SER A 31 22.469 4.067 -0.232 1.00 0.00 O ATOM 0 H SER A 31 21.800 3.309 1.889 1.00 0.00 H new ATOM 0 HA SER A 31 21.283 6.130 1.453 1.00 0.00 H new ATOM 0 HB2 SER A 31 20.425 3.978 -0.458 1.00 0.00 H new ATOM 0 HB3 SER A 31 21.146 5.540 -0.793 1.00 0.00 H new ATOM 0 HG SER A 31 22.627 3.793 -1.160 1.00 0.00 H new ATOM 467 N LYS A 32 18.892 3.992 2.049 1.00 0.00 N ATOM 468 CA LYS A 32 17.469 3.861 2.338 1.00 0.00 C ATOM 469 C LYS A 32 17.097 4.628 3.602 1.00 0.00 C ATOM 470 O LYS A 32 16.129 5.388 3.617 1.00 0.00 O ATOM 471 CB LYS A 32 17.093 2.386 2.495 1.00 0.00 C ATOM 472 CG LYS A 32 15.616 2.160 2.766 1.00 0.00 C ATOM 473 CD LYS A 32 14.766 2.514 1.557 1.00 0.00 C ATOM 474 CE LYS A 32 13.408 3.060 1.970 1.00 0.00 C ATOM 475 NZ LYS A 32 12.325 2.603 1.056 1.00 0.00 N ATOM 0 H LYS A 32 19.442 3.157 2.251 1.00 0.00 H new ATOM 0 HA LYS A 32 16.914 4.284 1.501 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.374 1.850 1.588 1.00 0.00 H new ATOM 0 HB3 LYS A 32 17.673 1.957 3.312 1.00 0.00 H new ATOM 0 HG2 LYS A 32 15.450 1.117 3.035 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.305 2.763 3.619 1.00 0.00 H new ATOM 0 HD2 LYS A 32 15.287 3.254 0.949 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.630 1.629 0.935 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.183 2.741 2.988 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.442 4.149 1.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.415 2.997 1.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.526 2.929 0.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.276 1.564 1.068 1.00 0.00 H new ATOM 489 N ALA A 33 17.874 4.426 4.661 1.00 0.00 N ATOM 490 CA ALA A 33 17.628 5.102 5.929 1.00 0.00 C ATOM 491 C ALA A 33 17.675 6.617 5.762 1.00 0.00 C ATOM 492 O ALA A 33 16.781 7.330 6.217 1.00 0.00 O ATOM 493 CB ALA A 33 18.641 4.652 6.972 1.00 0.00 C ATOM 0 H ALA A 33 18.679 3.800 4.666 1.00 0.00 H new ATOM 0 HA ALA A 33 16.628 4.831 6.269 1.00 0.00 H new ATOM 0 HB1 ALA A 33 18.446 5.165 7.914 1.00 0.00 H new ATOM 0 HB2 ALA A 33 18.557 3.575 7.120 1.00 0.00 H new ATOM 0 HB3 ALA A 33 19.647 4.893 6.630 1.00 0.00 H new ATOM 499 N LYS A 34 18.724 7.103 5.107 1.00 0.00 N ATOM 500 CA LYS A 34 18.889 8.533 4.879 1.00 0.00 C ATOM 501 C LYS A 34 17.634 9.132 4.251 1.00 0.00 C ATOM 502 O LYS A 34 17.290 10.285 4.509 1.00 0.00 O ATOM 503 CB LYS A 34 20.096 8.791 3.975 1.00 0.00 C ATOM 504 CG LYS A 34 21.069 9.814 4.536 1.00 0.00 C ATOM 505 CD LYS A 34 22.162 10.152 3.536 1.00 0.00 C ATOM 506 CE LYS A 34 23.311 9.158 3.610 1.00 0.00 C ATOM 507 NZ LYS A 34 24.177 9.399 4.798 1.00 0.00 N ATOM 0 H LYS A 34 19.473 6.526 4.724 1.00 0.00 H new ATOM 0 HA LYS A 34 19.056 9.012 5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 34 20.624 7.852 3.811 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.744 9.133 3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 34 20.529 10.721 4.806 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.518 9.427 5.450 1.00 0.00 H new ATOM 0 HD2 LYS A 34 21.746 10.155 2.528 1.00 0.00 H new ATOM 0 HD3 LYS A 34 22.536 11.157 3.730 1.00 0.00 H new ATOM 0 HE2 LYS A 34 22.912 8.144 3.651 1.00 0.00 H new ATOM 0 HE3 LYS A 34 23.911 9.228 2.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 25.029 8.806 4.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 24.455 10.401 4.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 23.653 9.159 5.664 1.00 0.00 H new ATOM 521 N GLU A 35 16.954 8.340 3.427 1.00 0.00 N ATOM 522 CA GLU A 35 15.737 8.793 2.764 1.00 0.00 C ATOM 523 C GLU A 35 14.512 8.524 3.632 1.00 0.00 C ATOM 524 O GLU A 35 13.501 9.221 3.532 1.00 0.00 O ATOM 525 CB GLU A 35 15.579 8.099 1.410 1.00 0.00 C ATOM 526 CG GLU A 35 16.623 8.515 0.386 1.00 0.00 C ATOM 527 CD GLU A 35 16.250 9.792 -0.341 1.00 0.00 C ATOM 528 OE1 GLU A 35 15.129 9.859 -0.887 1.00 0.00 O ATOM 529 OE2 GLU A 35 17.080 10.725 -0.363 1.00 0.00 O ATOM 0 H GLU A 35 17.225 7.383 3.203 1.00 0.00 H new ATOM 0 HA GLU A 35 15.819 9.868 2.606 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.635 7.020 1.556 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.587 8.316 1.014 1.00 0.00 H new ATOM 0 HG2 GLU A 35 17.582 8.653 0.886 1.00 0.00 H new ATOM 0 HG3 GLU A 35 16.754 7.713 -0.340 1.00 0.00 H new ATOM 536 N LEU A 36 14.609 7.509 4.483 1.00 0.00 N ATOM 537 CA LEU A 36 13.509 7.145 5.369 1.00 0.00 C ATOM 538 C LEU A 36 13.233 8.256 6.378 1.00 0.00 C ATOM 539 O LEU A 36 12.087 8.489 6.764 1.00 0.00 O ATOM 540 CB LEU A 36 13.828 5.841 6.103 1.00 0.00 C ATOM 541 CG LEU A 36 13.387 4.554 5.406 1.00 0.00 C ATOM 542 CD1 LEU A 36 14.012 3.342 6.079 1.00 0.00 C ATOM 543 CD2 LEU A 36 11.869 4.442 5.404 1.00 0.00 C ATOM 0 H LEU A 36 15.438 6.923 4.578 1.00 0.00 H new ATOM 0 HA LEU A 36 12.616 7.002 4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 36 14.905 5.792 6.265 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.359 5.877 7.086 1.00 0.00 H new ATOM 0 HG LEU A 36 13.730 4.587 4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.687 2.435 5.570 1.00 0.00 H new ATOM 0 HD12 LEU A 36 15.098 3.417 6.028 1.00 0.00 H new ATOM 0 HD13 LEU A 36 13.700 3.304 7.123 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.573 3.520 4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.504 4.431 6.431 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.442 5.295 4.876 1.00 0.00 H new ATOM 555 N LYS A 37 14.291 8.939 6.801 1.00 0.00 N ATOM 556 CA LYS A 37 14.164 10.028 7.763 1.00 0.00 C ATOM 557 C LYS A 37 13.595 11.277 7.099 1.00 0.00 C ATOM 558 O LYS A 37 12.581 11.819 7.540 1.00 0.00 O ATOM 559 CB LYS A 37 15.525 10.345 8.388 1.00 0.00 C ATOM 560 CG LYS A 37 15.433 10.870 9.810 1.00 0.00 C ATOM 561 CD LYS A 37 16.749 10.703 10.552 1.00 0.00 C ATOM 562 CE LYS A 37 16.893 11.726 11.668 1.00 0.00 C ATOM 563 NZ LYS A 37 18.272 12.285 11.734 1.00 0.00 N ATOM 0 H LYS A 37 15.246 8.758 6.493 1.00 0.00 H new ATOM 0 HA LYS A 37 13.476 9.709 8.546 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.137 9.443 8.381 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.037 11.082 7.770 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.155 11.924 9.793 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.643 10.341 10.344 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.808 9.698 10.969 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.578 10.807 9.852 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.180 12.536 11.513 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.644 11.261 12.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.564 12.372 12.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.928 11.651 11.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.288 13.223 11.285 1.00 0.00 H new ATOM 577 N ASP A 38 14.252 11.729 6.036 1.00 0.00 N ATOM 578 CA ASP A 38 13.810 12.913 5.309 1.00 0.00 C ATOM 579 C ASP A 38 12.382 12.737 4.802 1.00 0.00 C ATOM 580 O ASP A 38 11.657 13.713 4.608 1.00 0.00 O ATOM 581 CB ASP A 38 14.749 13.198 4.136 1.00 0.00 C ATOM 582 CG ASP A 38 15.084 14.671 4.008 1.00 0.00 C ATOM 583 OD1 ASP A 38 14.198 15.446 3.592 1.00 0.00 O ATOM 584 OD2 ASP A 38 16.232 15.048 4.323 1.00 0.00 O ATOM 0 H ASP A 38 15.093 11.293 5.659 1.00 0.00 H new ATOM 0 HA ASP A 38 13.832 13.760 5.995 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.670 12.629 4.265 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.287 12.852 3.212 1.00 0.00 H new ATOM 589 N ARG A 39 11.984 11.487 4.589 1.00 0.00 N ATOM 590 CA ARG A 39 10.644 11.183 4.103 1.00 0.00 C ATOM 591 C ARG A 39 9.688 10.931 5.265 1.00 0.00 C ATOM 592 O ARG A 39 8.479 11.131 5.142 1.00 0.00 O ATOM 593 CB ARG A 39 10.677 9.962 3.182 1.00 0.00 C ATOM 594 CG ARG A 39 11.358 10.224 1.848 1.00 0.00 C ATOM 595 CD ARG A 39 11.404 8.969 0.991 1.00 0.00 C ATOM 596 NE ARG A 39 10.504 9.056 -0.157 1.00 0.00 N ATOM 597 CZ ARG A 39 10.770 9.768 -1.247 1.00 0.00 C ATOM 598 NH1 ARG A 39 11.904 10.449 -1.337 1.00 0.00 N ATOM 599 NH2 ARG A 39 9.902 9.798 -2.249 1.00 0.00 N ATOM 0 H ARG A 39 12.571 10.668 4.746 1.00 0.00 H new ATOM 0 HA ARG A 39 10.285 12.045 3.540 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.193 9.148 3.690 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.656 9.627 3.000 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.825 11.011 1.314 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.372 10.586 2.020 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.423 8.806 0.641 1.00 0.00 H new ATOM 0 HD3 ARG A 39 11.134 8.105 1.599 1.00 0.00 H new ATOM 0 HE ARG A 39 9.624 8.542 -0.120 1.00 0.00 H new ATOM 0 HH11 ARG A 39 12.574 10.427 -0.569 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.106 10.995 -2.175 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.029 9.274 -2.183 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.107 10.345 -3.085 1.00 0.00 H new ATOM 613 N HIS A 40 10.237 10.491 6.392 1.00 0.00 N ATOM 614 CA HIS A 40 9.433 10.212 7.577 1.00 0.00 C ATOM 615 C HIS A 40 10.019 10.900 8.806 1.00 0.00 C ATOM 616 O HIS A 40 10.924 10.371 9.453 1.00 0.00 O ATOM 617 CB HIS A 40 9.345 8.704 7.815 1.00 0.00 C ATOM 618 CG HIS A 40 9.025 7.920 6.580 1.00 0.00 C ATOM 619 ND1 HIS A 40 8.071 8.313 5.666 1.00 0.00 N ATOM 620 CD2 HIS A 40 9.539 6.759 6.110 1.00 0.00 C ATOM 621 CE1 HIS A 40 8.010 7.428 4.687 1.00 0.00 C ATOM 622 NE2 HIS A 40 8.892 6.475 4.932 1.00 0.00 N ATOM 0 H HIS A 40 11.236 10.320 6.510 1.00 0.00 H new ATOM 0 HA HIS A 40 8.431 10.605 7.407 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.293 8.353 8.223 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.582 8.507 8.568 1.00 0.00 H new ATOM 0 HD1 HIS A 40 7.501 9.156 5.735 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.313 6.167 6.575 1.00 0.00 H new ATOM 0 HE1 HIS A 40 7.352 7.475 3.832 1.00 0.00 H new ATOM 630 N ARG A 41 9.499 12.081 9.121 1.00 0.00 N ATOM 631 CA ARG A 41 9.972 12.842 10.271 1.00 0.00 C ATOM 632 C ARG A 41 9.880 12.012 11.548 1.00 0.00 C ATOM 633 O ARG A 41 10.621 12.241 12.504 1.00 0.00 O ATOM 634 CB ARG A 41 9.160 14.129 10.427 1.00 0.00 C ATOM 635 CG ARG A 41 9.860 15.195 11.255 1.00 0.00 C ATOM 636 CD ARG A 41 10.645 16.156 10.377 1.00 0.00 C ATOM 637 NE ARG A 41 10.398 17.550 10.734 1.00 0.00 N ATOM 638 CZ ARG A 41 10.998 18.167 11.746 1.00 0.00 C ATOM 639 NH1 ARG A 41 11.877 17.517 12.496 1.00 0.00 N ATOM 640 NH2 ARG A 41 10.721 19.438 12.008 1.00 0.00 N ATOM 0 H ARG A 41 8.750 12.532 8.596 1.00 0.00 H new ATOM 0 HA ARG A 41 11.017 13.099 10.100 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.943 14.533 9.438 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.203 13.891 10.891 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.122 15.750 11.834 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.533 14.719 11.968 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.710 15.942 10.467 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.375 15.996 9.333 1.00 0.00 H new ATOM 0 HE ARG A 41 9.728 18.079 10.176 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.094 16.541 12.297 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.336 17.993 13.272 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.047 19.942 11.432 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.182 19.911 12.785 1.00 0.00 H new ATOM 654 N ASP A 42 8.965 11.049 11.556 1.00 0.00 N ATOM 655 CA ASP A 42 8.776 10.184 12.714 1.00 0.00 C ATOM 656 C ASP A 42 10.022 9.343 12.974 1.00 0.00 C ATOM 657 O ASP A 42 10.340 9.022 14.119 1.00 0.00 O ATOM 658 CB ASP A 42 7.565 9.273 12.505 1.00 0.00 C ATOM 659 CG ASP A 42 6.411 9.624 13.423 1.00 0.00 C ATOM 660 OD1 ASP A 42 5.761 10.665 13.188 1.00 0.00 O ATOM 661 OD2 ASP A 42 6.156 8.859 14.376 1.00 0.00 O ATOM 0 H ASP A 42 8.343 10.848 10.773 1.00 0.00 H new ATOM 0 HA ASP A 42 8.599 10.817 13.584 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.235 9.344 11.468 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.859 8.237 12.676 1.00 0.00 H new ATOM 666 N PHE A 43 10.723 8.987 11.903 1.00 0.00 N ATOM 667 CA PHE A 43 11.934 8.181 12.014 1.00 0.00 C ATOM 668 C PHE A 43 12.904 8.794 13.020 1.00 0.00 C ATOM 669 O PHE A 43 13.092 10.009 13.078 1.00 0.00 O ATOM 670 CB PHE A 43 12.612 8.050 10.649 1.00 0.00 C ATOM 671 CG PHE A 43 13.098 6.660 10.352 1.00 0.00 C ATOM 672 CD1 PHE A 43 12.206 5.662 9.995 1.00 0.00 C ATOM 673 CD2 PHE A 43 14.446 6.352 10.430 1.00 0.00 C ATOM 674 CE1 PHE A 43 12.650 4.382 9.722 1.00 0.00 C ATOM 675 CE2 PHE A 43 14.897 5.073 10.158 1.00 0.00 C ATOM 676 CZ PHE A 43 13.997 4.087 9.803 1.00 0.00 C ATOM 0 H PHE A 43 10.474 9.244 10.948 1.00 0.00 H new ATOM 0 HA PHE A 43 11.650 7.190 12.367 1.00 0.00 H new ATOM 0 HB2 PHE A 43 11.910 8.354 9.873 1.00 0.00 H new ATOM 0 HB3 PHE A 43 13.456 8.739 10.604 1.00 0.00 H new ATOM 0 HD1 PHE A 43 11.152 5.887 9.929 1.00 0.00 H new ATOM 0 HD2 PHE A 43 15.154 7.120 10.707 1.00 0.00 H new ATOM 0 HE1 PHE A 43 11.944 3.613 9.445 1.00 0.00 H new ATOM 0 HE2 PHE A 43 15.951 4.846 10.223 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.346 3.087 9.589 1.00 0.00 H new ATOM 686 N PRO A 44 13.536 7.933 13.832 1.00 0.00 N ATOM 687 CA PRO A 44 14.497 8.366 14.850 1.00 0.00 C ATOM 688 C PRO A 44 15.792 8.891 14.239 1.00 0.00 C ATOM 689 O PRO A 44 15.882 9.089 13.027 1.00 0.00 O ATOM 690 CB PRO A 44 14.763 7.089 15.652 1.00 0.00 C ATOM 691 CG PRO A 44 14.471 5.979 14.703 1.00 0.00 C ATOM 692 CD PRO A 44 13.360 6.471 13.818 1.00 0.00 C ATOM 0 HA PRO A 44 14.112 9.190 15.450 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.794 7.049 16.003 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.124 7.035 16.534 1.00 0.00 H new ATOM 0 HG2 PRO A 44 15.354 5.725 14.116 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.173 5.077 15.238 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.440 6.066 12.809 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.382 6.180 14.201 1.00 0.00 H new ATOM 700 N ASP A 45 16.792 9.114 15.085 1.00 0.00 N ATOM 701 CA ASP A 45 18.083 9.615 14.627 1.00 0.00 C ATOM 702 C ASP A 45 19.052 8.465 14.373 1.00 0.00 C ATOM 703 O ASP A 45 20.225 8.535 14.740 1.00 0.00 O ATOM 704 CB ASP A 45 18.674 10.578 15.657 1.00 0.00 C ATOM 705 CG ASP A 45 19.705 11.511 15.052 1.00 0.00 C ATOM 706 OD1 ASP A 45 19.303 12.535 14.459 1.00 0.00 O ATOM 707 OD2 ASP A 45 20.913 11.219 15.173 1.00 0.00 O ATOM 0 H ASP A 45 16.734 8.956 16.091 1.00 0.00 H new ATOM 0 HA ASP A 45 17.927 10.149 13.690 1.00 0.00 H new ATOM 0 HB2 ASP A 45 17.872 11.167 16.102 1.00 0.00 H new ATOM 0 HB3 ASP A 45 19.134 10.006 16.463 1.00 0.00 H new ATOM 712 N VAL A 46 18.554 7.406 13.743 1.00 0.00 N ATOM 713 CA VAL A 46 19.376 6.240 13.439 1.00 0.00 C ATOM 714 C VAL A 46 19.244 5.842 11.973 1.00 0.00 C ATOM 715 O VAL A 46 18.297 6.241 11.294 1.00 0.00 O ATOM 716 CB VAL A 46 18.993 5.038 14.323 1.00 0.00 C ATOM 717 CG1 VAL A 46 19.040 5.421 15.794 1.00 0.00 C ATOM 718 CG2 VAL A 46 17.616 4.515 13.943 1.00 0.00 C ATOM 0 H VAL A 46 17.585 7.331 13.433 1.00 0.00 H new ATOM 0 HA VAL A 46 20.410 6.518 13.645 1.00 0.00 H new ATOM 0 HB VAL A 46 19.718 4.241 14.157 1.00 0.00 H new ATOM 0 HG11 VAL A 46 18.767 4.560 16.403 1.00 0.00 H new ATOM 0 HG12 VAL A 46 20.048 5.744 16.054 1.00 0.00 H new ATOM 0 HG13 VAL A 46 18.339 6.235 15.981 1.00 0.00 H new ATOM 0 HG21 VAL A 46 17.361 3.666 14.577 1.00 0.00 H new ATOM 0 HG22 VAL A 46 16.877 5.304 14.079 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.622 4.199 12.900 1.00 0.00 H new ATOM 728 N ILE A 47 20.198 5.053 11.492 1.00 0.00 N ATOM 729 CA ILE A 47 20.188 4.599 10.107 1.00 0.00 C ATOM 730 C ILE A 47 20.913 3.265 9.960 1.00 0.00 C ATOM 731 O ILE A 47 21.477 2.966 8.908 1.00 0.00 O ATOM 732 CB ILE A 47 20.842 5.632 9.171 1.00 0.00 C ATOM 733 CG1 ILE A 47 22.184 6.093 9.743 1.00 0.00 C ATOM 734 CG2 ILE A 47 19.914 6.819 8.961 1.00 0.00 C ATOM 735 CD1 ILE A 47 23.127 6.650 8.700 1.00 0.00 C ATOM 0 H ILE A 47 20.988 4.715 12.041 1.00 0.00 H new ATOM 0 HA ILE A 47 19.143 4.475 9.824 1.00 0.00 H new ATOM 0 HB ILE A 47 21.023 5.162 8.204 1.00 0.00 H new ATOM 0 HG12 ILE A 47 22.004 6.855 10.502 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.664 5.252 10.243 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.390 7.540 8.297 1.00 0.00 H new ATOM 0 HG22 ILE A 47 18.980 6.476 8.515 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.705 7.292 9.921 1.00 0.00 H new ATOM 0 HD11 ILE A 47 24.058 6.957 9.178 1.00 0.00 H new ATOM 0 HD12 ILE A 47 23.337 5.884 7.954 1.00 0.00 H new ATOM 0 HD13 ILE A 47 22.667 7.511 8.216 1.00 0.00 H new ATOM 747 N SER A 48 20.891 2.466 11.022 1.00 0.00 N ATOM 748 CA SER A 48 21.548 1.164 11.012 1.00 0.00 C ATOM 749 C SER A 48 20.842 0.192 11.952 1.00 0.00 C ATOM 750 O SER A 48 20.858 0.366 13.170 1.00 0.00 O ATOM 751 CB SER A 48 23.016 1.307 11.418 1.00 0.00 C ATOM 752 OG SER A 48 23.677 2.266 10.611 1.00 0.00 O ATOM 0 H SER A 48 20.426 2.697 11.900 1.00 0.00 H new ATOM 0 HA SER A 48 21.495 0.766 9.999 1.00 0.00 H new ATOM 0 HB2 SER A 48 23.080 1.602 12.465 1.00 0.00 H new ATOM 0 HB3 SER A 48 23.517 0.343 11.327 1.00 0.00 H new ATOM 0 HG SER A 48 24.613 2.340 10.891 1.00 0.00 H new ATOM 758 N GLY A 49 20.221 -0.833 11.376 1.00 0.00 N ATOM 759 CA GLY A 49 19.516 -1.818 12.175 1.00 0.00 C ATOM 760 C GLY A 49 18.473 -2.575 11.377 1.00 0.00 C ATOM 761 O GLY A 49 18.647 -2.809 10.181 1.00 0.00 O ATOM 0 H GLY A 49 20.194 -0.999 10.370 1.00 0.00 H new ATOM 0 HA2 GLY A 49 20.234 -2.525 12.591 1.00 0.00 H new ATOM 0 HA3 GLY A 49 19.034 -1.321 13.017 1.00 0.00 H new ATOM 765 N ALA A 50 17.387 -2.959 12.039 1.00 0.00 N ATOM 766 CA ALA A 50 16.312 -3.693 11.383 1.00 0.00 C ATOM 767 C ALA A 50 15.061 -2.832 11.251 1.00 0.00 C ATOM 768 O ALA A 50 14.495 -2.384 12.248 1.00 0.00 O ATOM 769 CB ALA A 50 15.999 -4.968 12.152 1.00 0.00 C ATOM 0 H ALA A 50 17.228 -2.774 13.029 1.00 0.00 H new ATOM 0 HA ALA A 50 16.646 -3.959 10.380 1.00 0.00 H new ATOM 0 HB1 ALA A 50 15.194 -5.507 11.651 1.00 0.00 H new ATOM 0 HB2 ALA A 50 16.888 -5.597 12.190 1.00 0.00 H new ATOM 0 HB3 ALA A 50 15.690 -4.715 13.166 1.00 0.00 H new ATOM 775 N TYR A 51 14.635 -2.603 10.014 1.00 0.00 N ATOM 776 CA TYR A 51 13.452 -1.792 9.751 1.00 0.00 C ATOM 777 C TYR A 51 12.201 -2.662 9.672 1.00 0.00 C ATOM 778 O TYR A 51 12.128 -3.591 8.867 1.00 0.00 O ATOM 779 CB TYR A 51 13.624 -1.008 8.448 1.00 0.00 C ATOM 780 CG TYR A 51 12.372 -0.284 8.007 1.00 0.00 C ATOM 781 CD1 TYR A 51 11.942 0.863 8.663 1.00 0.00 C ATOM 782 CD2 TYR A 51 11.618 -0.747 6.936 1.00 0.00 C ATOM 783 CE1 TYR A 51 10.799 1.528 8.264 1.00 0.00 C ATOM 784 CE2 TYR A 51 10.474 -0.088 6.529 1.00 0.00 C ATOM 785 CZ TYR A 51 10.069 1.049 7.197 1.00 0.00 C ATOM 786 OH TYR A 51 8.929 1.707 6.796 1.00 0.00 O ATOM 0 H TYR A 51 15.091 -2.967 9.178 1.00 0.00 H new ATOM 0 HA TYR A 51 13.333 -1.090 10.577 1.00 0.00 H new ATOM 0 HB2 TYR A 51 14.428 -0.283 8.574 1.00 0.00 H new ATOM 0 HB3 TYR A 51 13.934 -1.694 7.659 1.00 0.00 H new ATOM 0 HD1 TYR A 51 12.511 1.241 9.499 1.00 0.00 H new ATOM 0 HD2 TYR A 51 11.932 -1.638 6.412 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.479 2.418 8.785 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.900 -0.461 5.693 1.00 0.00 H new ATOM 0 HH TYR A 51 8.534 1.240 6.030 1.00 0.00 H new ATOM 796 N ILE A 52 11.220 -2.354 10.513 1.00 0.00 N ATOM 797 CA ILE A 52 9.971 -3.106 10.538 1.00 0.00 C ATOM 798 C ILE A 52 8.964 -2.533 9.547 1.00 0.00 C ATOM 799 O ILE A 52 8.569 -1.372 9.650 1.00 0.00 O ATOM 800 CB ILE A 52 9.345 -3.110 11.945 1.00 0.00 C ATOM 801 CG1 ILE A 52 10.318 -3.715 12.959 1.00 0.00 C ATOM 802 CG2 ILE A 52 8.033 -3.880 11.938 1.00 0.00 C ATOM 803 CD1 ILE A 52 9.778 -3.744 14.372 1.00 0.00 C ATOM 0 H ILE A 52 11.265 -1.589 11.186 1.00 0.00 H new ATOM 0 HA ILE A 52 10.213 -4.130 10.254 1.00 0.00 H new ATOM 0 HB ILE A 52 9.139 -2.080 12.238 1.00 0.00 H new ATOM 0 HG12 ILE A 52 10.565 -4.731 12.652 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.246 -3.144 12.945 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.602 -3.874 12.939 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.339 -3.410 11.242 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.217 -4.909 11.628 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.521 -4.186 15.036 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.558 -2.728 14.698 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.866 -4.340 14.401 1.00 0.00 H new ATOM 815 N ILE A 53 8.552 -3.356 8.589 1.00 0.00 N ATOM 816 CA ILE A 53 7.588 -2.932 7.581 1.00 0.00 C ATOM 817 C ILE A 53 6.162 -3.253 8.014 1.00 0.00 C ATOM 818 O ILE A 53 5.216 -2.572 7.620 1.00 0.00 O ATOM 819 CB ILE A 53 7.863 -3.603 6.222 1.00 0.00 C ATOM 820 CG1 ILE A 53 9.345 -3.482 5.859 1.00 0.00 C ATOM 821 CG2 ILE A 53 6.995 -2.981 5.139 1.00 0.00 C ATOM 822 CD1 ILE A 53 9.709 -4.176 4.565 1.00 0.00 C ATOM 0 H ILE A 53 8.870 -4.320 8.489 1.00 0.00 H new ATOM 0 HA ILE A 53 7.698 -1.853 7.474 1.00 0.00 H new ATOM 0 HB ILE A 53 7.612 -4.661 6.299 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.607 -2.427 5.782 1.00 0.00 H new ATOM 0 HG13 ILE A 53 9.944 -3.901 6.668 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.201 -3.466 4.185 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.944 -3.114 5.394 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.218 -1.917 5.061 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.774 -4.049 4.371 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.479 -5.238 4.645 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.137 -3.741 3.746 1.00 0.00 H new ATOM 834 N GLU A 54 6.017 -4.294 8.829 1.00 0.00 N ATOM 835 CA GLU A 54 4.705 -4.704 9.316 1.00 0.00 C ATOM 836 C GLU A 54 4.830 -5.855 10.310 1.00 0.00 C ATOM 837 O GLU A 54 5.578 -6.806 10.084 1.00 0.00 O ATOM 838 CB GLU A 54 3.809 -5.119 8.148 1.00 0.00 C ATOM 839 CG GLU A 54 2.475 -5.703 8.581 1.00 0.00 C ATOM 840 CD GLU A 54 1.337 -5.305 7.662 1.00 0.00 C ATOM 841 OE1 GLU A 54 0.719 -4.248 7.905 1.00 0.00 O ATOM 842 OE2 GLU A 54 1.064 -6.052 6.699 1.00 0.00 O ATOM 0 H GLU A 54 6.791 -4.868 9.165 1.00 0.00 H new ATOM 0 HA GLU A 54 4.253 -3.853 9.826 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.627 -4.251 7.514 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.337 -5.853 7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.551 -6.790 8.609 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.250 -5.373 9.595 1.00 0.00 H new ATOM 849 N VAL A 55 4.092 -5.761 11.411 1.00 0.00 N ATOM 850 CA VAL A 55 4.118 -6.794 12.440 1.00 0.00 C ATOM 851 C VAL A 55 2.803 -7.563 12.481 1.00 0.00 C ATOM 852 O VAL A 55 1.787 -7.051 12.952 1.00 0.00 O ATOM 853 CB VAL A 55 4.392 -6.193 13.832 1.00 0.00 C ATOM 854 CG1 VAL A 55 4.499 -7.293 14.877 1.00 0.00 C ATOM 855 CG2 VAL A 55 5.655 -5.345 13.807 1.00 0.00 C ATOM 0 H VAL A 55 3.468 -4.980 11.614 1.00 0.00 H new ATOM 0 HA VAL A 55 4.927 -7.477 12.181 1.00 0.00 H new ATOM 0 HB VAL A 55 3.555 -5.549 14.102 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.693 -6.849 15.854 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.565 -7.854 14.912 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.316 -7.965 14.615 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.833 -4.928 14.798 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.503 -5.964 13.516 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.534 -4.534 13.089 1.00 0.00 H new ATOM 865 N ILE A 56 2.829 -8.795 11.985 1.00 0.00 N ATOM 866 CA ILE A 56 1.638 -9.636 11.966 1.00 0.00 C ATOM 867 C ILE A 56 0.955 -9.652 13.329 1.00 0.00 C ATOM 868 O ILE A 56 1.597 -9.791 14.371 1.00 0.00 O ATOM 869 CB ILE A 56 1.976 -11.081 11.556 1.00 0.00 C ATOM 870 CG1 ILE A 56 2.709 -11.096 10.213 1.00 0.00 C ATOM 871 CG2 ILE A 56 0.710 -11.921 11.483 1.00 0.00 C ATOM 872 CD1 ILE A 56 1.963 -10.378 9.110 1.00 0.00 C ATOM 0 H ILE A 56 3.661 -9.233 11.591 1.00 0.00 H new ATOM 0 HA ILE A 56 0.960 -9.207 11.228 1.00 0.00 H new ATOM 0 HB ILE A 56 2.632 -11.512 12.312 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.689 -10.635 10.338 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.879 -12.130 9.912 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.966 -12.940 11.192 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.225 -11.933 12.459 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.031 -11.493 10.746 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.541 -10.429 8.187 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.994 -10.853 8.958 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.816 -9.335 9.389 1.00 0.00 H new ATOM 884 N PRO A 57 -0.378 -9.510 13.325 1.00 0.00 N ATOM 885 CA PRO A 57 -1.178 -9.508 14.553 1.00 0.00 C ATOM 886 C PRO A 57 -1.229 -10.881 15.215 1.00 0.00 C ATOM 887 O PRO A 57 -0.883 -11.890 14.599 1.00 0.00 O ATOM 888 CB PRO A 57 -2.571 -9.096 14.069 1.00 0.00 C ATOM 889 CG PRO A 57 -2.611 -9.506 12.638 1.00 0.00 C ATOM 890 CD PRO A 57 -1.208 -9.341 12.120 1.00 0.00 C ATOM 0 HA PRO A 57 -0.761 -8.843 15.309 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.353 -9.591 14.645 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.727 -8.023 14.178 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.945 -10.539 12.537 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.310 -8.888 12.074 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.970 -10.085 11.360 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.060 -8.362 11.664 1.00 0.00 H new ATOM 898 N ASP A 58 -1.661 -10.912 16.470 1.00 0.00 N ATOM 899 CA ASP A 58 -1.759 -12.162 17.215 1.00 0.00 C ATOM 900 C ASP A 58 -0.380 -12.784 17.415 1.00 0.00 C ATOM 901 O ASP A 58 -0.251 -13.999 17.569 1.00 0.00 O ATOM 902 CB ASP A 58 -2.674 -13.146 16.484 1.00 0.00 C ATOM 903 CG ASP A 58 -3.245 -14.202 17.410 1.00 0.00 C ATOM 904 OD1 ASP A 58 -3.693 -13.840 18.518 1.00 0.00 O ATOM 905 OD2 ASP A 58 -3.244 -15.391 17.026 1.00 0.00 O ATOM 0 H ASP A 58 -1.949 -10.086 16.994 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.184 -11.941 18.194 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.491 -12.598 16.015 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.115 -13.632 15.684 1.00 0.00 H new ATOM 910 N THR A 59 0.649 -11.943 17.411 1.00 0.00 N ATOM 911 CA THR A 59 2.018 -12.410 17.590 1.00 0.00 C ATOM 912 C THR A 59 2.637 -11.827 18.855 1.00 0.00 C ATOM 913 O THR A 59 2.222 -10.780 19.353 1.00 0.00 O ATOM 914 CB THR A 59 2.901 -12.038 16.383 1.00 0.00 C ATOM 915 OG1 THR A 59 3.043 -10.616 16.299 1.00 0.00 O ATOM 916 CG2 THR A 59 2.300 -12.570 15.090 1.00 0.00 C ATOM 0 H THR A 59 0.560 -10.935 17.286 1.00 0.00 H new ATOM 0 HA THR A 59 1.972 -13.496 17.677 1.00 0.00 H new ATOM 0 HB THR A 59 3.882 -12.492 16.524 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.820 -10.318 15.393 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.940 -12.296 14.251 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.220 -13.656 15.146 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.309 -12.140 14.946 1.00 0.00 H new ATOM 924 N PRO A 60 3.655 -12.518 19.390 1.00 0.00 N ATOM 925 CA PRO A 60 4.353 -12.087 20.604 1.00 0.00 C ATOM 926 C PRO A 60 5.195 -10.836 20.375 1.00 0.00 C ATOM 927 O PRO A 60 5.742 -10.264 21.317 1.00 0.00 O ATOM 928 CB PRO A 60 5.251 -13.281 20.940 1.00 0.00 C ATOM 929 CG PRO A 60 5.468 -13.970 19.637 1.00 0.00 C ATOM 930 CD PRO A 60 4.202 -13.774 18.849 1.00 0.00 C ATOM 0 HA PRO A 60 3.658 -11.821 21.401 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.195 -12.956 21.378 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.775 -13.943 21.664 1.00 0.00 H new ATOM 0 HG2 PRO A 60 6.324 -13.549 19.111 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.675 -15.030 19.786 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.402 -13.698 17.780 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.511 -14.605 18.986 1.00 0.00 H new ATOM 938 N ALA A 61 5.293 -10.416 19.118 1.00 0.00 N ATOM 939 CA ALA A 61 6.066 -9.231 18.767 1.00 0.00 C ATOM 940 C ALA A 61 5.174 -7.997 18.692 1.00 0.00 C ATOM 941 O ALA A 61 5.628 -6.877 18.926 1.00 0.00 O ATOM 942 CB ALA A 61 6.787 -9.445 17.444 1.00 0.00 C ATOM 0 H ALA A 61 4.847 -10.879 18.326 1.00 0.00 H new ATOM 0 HA ALA A 61 6.807 -9.065 19.549 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.360 -8.553 17.194 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.461 -10.297 17.531 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.056 -9.639 16.659 1.00 0.00 H new ATOM 948 N GLU A 62 3.903 -8.209 18.364 1.00 0.00 N ATOM 949 CA GLU A 62 2.949 -7.112 18.257 1.00 0.00 C ATOM 950 C GLU A 62 2.551 -6.601 19.639 1.00 0.00 C ATOM 951 O GLU A 62 2.384 -5.399 19.843 1.00 0.00 O ATOM 952 CB GLU A 62 1.704 -7.562 17.489 1.00 0.00 C ATOM 953 CG GLU A 62 0.430 -6.860 17.930 1.00 0.00 C ATOM 954 CD GLU A 62 -0.642 -6.871 16.858 1.00 0.00 C ATOM 955 OE1 GLU A 62 -0.387 -6.338 15.758 1.00 0.00 O ATOM 956 OE2 GLU A 62 -1.737 -7.412 17.121 1.00 0.00 O ATOM 0 H GLU A 62 3.511 -9.130 18.168 1.00 0.00 H new ATOM 0 HA GLU A 62 3.429 -6.299 17.712 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.859 -7.382 16.425 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.579 -8.637 17.615 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.045 -7.343 18.828 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.661 -5.829 18.197 1.00 0.00 H new ATOM 963 N ALA A 63 2.400 -7.523 20.583 1.00 0.00 N ATOM 964 CA ALA A 63 2.023 -7.167 21.946 1.00 0.00 C ATOM 965 C ALA A 63 3.242 -6.751 22.762 1.00 0.00 C ATOM 966 O ALA A 63 3.127 -5.997 23.726 1.00 0.00 O ATOM 967 CB ALA A 63 1.308 -8.331 22.617 1.00 0.00 C ATOM 0 H ALA A 63 2.533 -8.523 20.430 1.00 0.00 H new ATOM 0 HA ALA A 63 1.343 -6.316 21.898 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.032 -8.051 23.634 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.409 -8.580 22.053 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.970 -9.197 22.646 1.00 0.00 H new ATOM 973 N GLY A 64 4.410 -7.250 22.368 1.00 0.00 N ATOM 974 CA GLY A 64 5.634 -6.919 23.075 1.00 0.00 C ATOM 975 C GLY A 64 5.971 -5.444 22.991 1.00 0.00 C ATOM 976 O GLY A 64 6.452 -4.854 23.957 1.00 0.00 O ATOM 0 H GLY A 64 4.530 -7.877 21.573 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.535 -7.207 24.122 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.458 -7.501 22.661 1.00 0.00 H new ATOM 980 N GLY A 65 5.721 -4.846 21.829 1.00 0.00 N ATOM 981 CA GLY A 65 6.010 -3.437 21.643 1.00 0.00 C ATOM 982 C GLY A 65 6.459 -3.118 20.231 1.00 0.00 C ATOM 983 O GLY A 65 6.284 -1.996 19.754 1.00 0.00 O ATOM 0 H GLY A 65 5.324 -5.313 21.014 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.120 -2.853 21.879 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.786 -3.133 22.345 1.00 0.00 H new ATOM 987 N LEU A 66 7.042 -4.106 19.560 1.00 0.00 N ATOM 988 CA LEU A 66 7.519 -3.926 18.194 1.00 0.00 C ATOM 989 C LEU A 66 6.389 -3.468 17.278 1.00 0.00 C ATOM 990 O LEU A 66 5.499 -4.246 16.935 1.00 0.00 O ATOM 991 CB LEU A 66 8.122 -5.230 17.667 1.00 0.00 C ATOM 992 CG LEU A 66 9.334 -5.766 18.430 1.00 0.00 C ATOM 993 CD1 LEU A 66 9.900 -6.994 17.736 1.00 0.00 C ATOM 994 CD2 LEU A 66 10.399 -4.687 18.564 1.00 0.00 C ATOM 0 H LEU A 66 7.195 -5.040 19.940 1.00 0.00 H new ATOM 0 HA LEU A 66 8.289 -3.155 18.203 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.346 -5.995 17.675 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.410 -5.079 16.627 1.00 0.00 H new ATOM 0 HG LEU A 66 9.012 -6.056 19.430 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.762 -7.362 18.293 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.137 -7.771 17.693 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.207 -6.731 16.724 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.254 -5.086 19.110 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.719 -4.366 17.573 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.988 -3.835 19.106 1.00 0.00 H new ATOM 1006 N LYS A 67 6.432 -2.200 16.883 1.00 0.00 N ATOM 1007 CA LYS A 67 5.414 -1.637 16.003 1.00 0.00 C ATOM 1008 C LYS A 67 5.999 -1.312 14.632 1.00 0.00 C ATOM 1009 O LYS A 67 7.215 -1.332 14.447 1.00 0.00 O ATOM 1010 CB LYS A 67 4.814 -0.374 16.626 1.00 0.00 C ATOM 1011 CG LYS A 67 3.705 -0.656 17.625 1.00 0.00 C ATOM 1012 CD LYS A 67 2.334 -0.393 17.024 1.00 0.00 C ATOM 1013 CE LYS A 67 1.963 1.079 17.107 1.00 0.00 C ATOM 1014 NZ LYS A 67 0.851 1.424 16.178 1.00 0.00 N ATOM 0 H LYS A 67 7.161 -1.542 17.158 1.00 0.00 H new ATOM 0 HA LYS A 67 4.628 -2.381 15.876 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.605 0.187 17.123 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.423 0.262 15.832 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.766 -1.693 17.955 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.842 -0.032 18.508 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.325 -0.714 15.982 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.586 -0.988 17.547 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.672 1.323 18.129 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.836 1.687 16.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.628 2.436 16.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.138 1.215 15.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.010 0.862 16.420 1.00 0.00 H new ATOM 1028 N GLU A 68 5.125 -1.012 13.677 1.00 0.00 N ATOM 1029 CA GLU A 68 5.556 -0.683 12.324 1.00 0.00 C ATOM 1030 C GLU A 68 6.417 0.577 12.319 1.00 0.00 C ATOM 1031 O GLU A 68 6.272 1.444 13.180 1.00 0.00 O ATOM 1032 CB GLU A 68 4.344 -0.489 11.411 1.00 0.00 C ATOM 1033 CG GLU A 68 4.660 -0.657 9.934 1.00 0.00 C ATOM 1034 CD GLU A 68 3.415 -0.819 9.085 1.00 0.00 C ATOM 1035 OE1 GLU A 68 2.877 0.207 8.619 1.00 0.00 O ATOM 1036 OE2 GLU A 68 2.977 -1.972 8.887 1.00 0.00 O ATOM 0 H GLU A 68 4.115 -0.990 13.815 1.00 0.00 H new ATOM 0 HA GLU A 68 6.154 -1.513 11.949 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.570 -1.204 11.692 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.932 0.507 11.575 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.222 0.210 9.586 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.302 -1.528 9.801 1.00 0.00 H new ATOM 1043 N ASN A 69 7.313 0.671 11.342 1.00 0.00 N ATOM 1044 CA ASN A 69 8.198 1.824 11.225 1.00 0.00 C ATOM 1045 C ASN A 69 9.120 1.928 12.436 1.00 0.00 C ATOM 1046 O ASN A 69 9.293 3.005 13.006 1.00 0.00 O ATOM 1047 CB ASN A 69 7.380 3.109 11.081 1.00 0.00 C ATOM 1048 CG ASN A 69 6.169 2.926 10.186 1.00 0.00 C ATOM 1049 OD1 ASN A 69 6.280 2.424 9.068 1.00 0.00 O ATOM 1050 ND2 ASN A 69 5.004 3.334 10.677 1.00 0.00 N ATOM 0 H ASN A 69 7.445 -0.037 10.620 1.00 0.00 H new ATOM 0 HA ASN A 69 8.812 1.690 10.334 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.053 3.441 12.066 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.014 3.896 10.673 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.154 3.237 10.121 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.959 3.745 11.610 1.00 0.00 H new ATOM 1057 N ASP A 70 9.708 0.802 12.823 1.00 0.00 N ATOM 1058 CA ASP A 70 10.614 0.765 13.966 1.00 0.00 C ATOM 1059 C ASP A 70 12.034 0.425 13.523 1.00 0.00 C ATOM 1060 O ASP A 70 12.249 -0.066 12.415 1.00 0.00 O ATOM 1061 CB ASP A 70 10.129 -0.256 14.996 1.00 0.00 C ATOM 1062 CG ASP A 70 9.349 0.387 16.126 1.00 0.00 C ATOM 1063 OD1 ASP A 70 9.798 1.436 16.634 1.00 0.00 O ATOM 1064 OD2 ASP A 70 8.291 -0.158 16.503 1.00 0.00 O ATOM 0 H ASP A 70 9.574 -0.098 12.362 1.00 0.00 H new ATOM 0 HA ASP A 70 10.623 1.754 14.424 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.501 -0.997 14.501 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.987 -0.788 15.407 1.00 0.00 H new ATOM 1069 N VAL A 71 13.000 0.691 14.397 1.00 0.00 N ATOM 1070 CA VAL A 71 14.399 0.414 14.096 1.00 0.00 C ATOM 1071 C VAL A 71 15.137 -0.089 15.332 1.00 0.00 C ATOM 1072 O VAL A 71 15.381 0.668 16.272 1.00 0.00 O ATOM 1073 CB VAL A 71 15.117 1.665 13.557 1.00 0.00 C ATOM 1074 CG1 VAL A 71 16.513 1.312 13.068 1.00 0.00 C ATOM 1075 CG2 VAL A 71 14.301 2.309 12.446 1.00 0.00 C ATOM 0 H VAL A 71 12.839 1.098 15.318 1.00 0.00 H new ATOM 0 HA VAL A 71 14.410 -0.360 13.329 1.00 0.00 H new ATOM 0 HB VAL A 71 15.215 2.385 14.370 1.00 0.00 H new ATOM 0 HG11 VAL A 71 17.004 2.209 12.691 1.00 0.00 H new ATOM 0 HG12 VAL A 71 17.094 0.900 13.893 1.00 0.00 H new ATOM 0 HG13 VAL A 71 16.443 0.574 12.269 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.823 3.192 12.076 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.170 1.597 11.631 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.325 2.600 12.834 1.00 0.00 H new ATOM 1085 N ILE A 72 15.491 -1.369 15.323 1.00 0.00 N ATOM 1086 CA ILE A 72 16.203 -1.972 16.443 1.00 0.00 C ATOM 1087 C ILE A 72 17.685 -1.616 16.409 1.00 0.00 C ATOM 1088 O ILE A 72 18.349 -1.775 15.384 1.00 0.00 O ATOM 1089 CB ILE A 72 16.056 -3.505 16.444 1.00 0.00 C ATOM 1090 CG1 ILE A 72 14.577 -3.897 16.470 1.00 0.00 C ATOM 1091 CG2 ILE A 72 16.789 -4.107 17.634 1.00 0.00 C ATOM 1092 CD1 ILE A 72 14.195 -4.886 15.391 1.00 0.00 C ATOM 0 H ILE A 72 15.297 -2.009 14.553 1.00 0.00 H new ATOM 0 HA ILE A 72 15.756 -1.571 17.353 1.00 0.00 H new ATOM 0 HB ILE A 72 16.502 -3.898 15.530 1.00 0.00 H new ATOM 0 HG12 ILE A 72 14.340 -4.325 17.444 1.00 0.00 H new ATOM 0 HG13 ILE A 72 13.969 -2.999 16.360 1.00 0.00 H new ATOM 0 HG21 ILE A 72 16.676 -5.191 17.621 1.00 0.00 H new ATOM 0 HG22 ILE A 72 17.847 -3.852 17.576 1.00 0.00 H new ATOM 0 HG23 ILE A 72 16.370 -3.710 18.558 1.00 0.00 H new ATOM 0 HD11 ILE A 72 13.133 -5.118 15.470 1.00 0.00 H new ATOM 0 HD12 ILE A 72 14.400 -4.453 14.412 1.00 0.00 H new ATOM 0 HD13 ILE A 72 14.776 -5.800 15.513 1.00 0.00 H new ATOM 1104 N ILE A 73 18.199 -1.134 17.536 1.00 0.00 N ATOM 1105 CA ILE A 73 19.603 -0.758 17.635 1.00 0.00 C ATOM 1106 C ILE A 73 20.392 -1.784 18.441 1.00 0.00 C ATOM 1107 O ILE A 73 21.603 -1.922 18.274 1.00 0.00 O ATOM 1108 CB ILE A 73 19.770 0.628 18.286 1.00 0.00 C ATOM 1109 CG1 ILE A 73 18.993 0.694 19.603 1.00 0.00 C ATOM 1110 CG2 ILE A 73 19.304 1.720 17.335 1.00 0.00 C ATOM 1111 CD1 ILE A 73 19.812 1.217 20.762 1.00 0.00 C ATOM 0 H ILE A 73 17.664 -0.995 18.393 1.00 0.00 H new ATOM 0 HA ILE A 73 19.992 -0.722 16.617 1.00 0.00 H new ATOM 0 HB ILE A 73 20.827 0.787 18.501 1.00 0.00 H new ATOM 0 HG12 ILE A 73 18.120 1.332 19.469 1.00 0.00 H new ATOM 0 HG13 ILE A 73 18.625 -0.302 19.849 1.00 0.00 H new ATOM 0 HG21 ILE A 73 19.428 2.693 17.810 1.00 0.00 H new ATOM 0 HG22 ILE A 73 19.897 1.684 16.421 1.00 0.00 H new ATOM 0 HG23 ILE A 73 18.253 1.567 17.092 1.00 0.00 H new ATOM 0 HD11 ILE A 73 19.198 1.236 21.662 1.00 0.00 H new ATOM 0 HD12 ILE A 73 20.671 0.566 20.923 1.00 0.00 H new ATOM 0 HD13 ILE A 73 20.158 2.226 20.537 1.00 0.00 H new ATOM 1123 N SER A 74 19.695 -2.504 19.316 1.00 0.00 N ATOM 1124 CA SER A 74 20.330 -3.517 20.150 1.00 0.00 C ATOM 1125 C SER A 74 19.309 -4.543 20.630 1.00 0.00 C ATOM 1126 O SER A 74 18.114 -4.256 20.708 1.00 0.00 O ATOM 1127 CB SER A 74 21.016 -2.863 21.351 1.00 0.00 C ATOM 1128 OG SER A 74 21.476 -3.839 22.270 1.00 0.00 O ATOM 0 H SER A 74 18.691 -2.404 19.465 1.00 0.00 H new ATOM 0 HA SER A 74 21.080 -4.030 19.548 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.855 -2.257 21.009 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.319 -2.190 21.850 1.00 0.00 H new ATOM 0 HG SER A 74 21.912 -3.395 23.027 1.00 0.00 H new ATOM 1134 N ILE A 75 19.788 -5.740 20.951 1.00 0.00 N ATOM 1135 CA ILE A 75 18.918 -6.809 21.425 1.00 0.00 C ATOM 1136 C ILE A 75 19.649 -7.718 22.408 1.00 0.00 C ATOM 1137 O ILE A 75 20.714 -8.251 22.101 1.00 0.00 O ATOM 1138 CB ILE A 75 18.384 -7.659 20.257 1.00 0.00 C ATOM 1139 CG1 ILE A 75 17.604 -6.783 19.274 1.00 0.00 C ATOM 1140 CG2 ILE A 75 17.507 -8.787 20.781 1.00 0.00 C ATOM 1141 CD1 ILE A 75 17.055 -7.546 18.089 1.00 0.00 C ATOM 0 H ILE A 75 20.774 -5.994 20.891 1.00 0.00 H new ATOM 0 HA ILE A 75 18.078 -6.332 21.931 1.00 0.00 H new ATOM 0 HB ILE A 75 19.231 -8.098 19.730 1.00 0.00 H new ATOM 0 HG12 ILE A 75 16.779 -6.305 19.802 1.00 0.00 H new ATOM 0 HG13 ILE A 75 18.256 -5.987 18.913 1.00 0.00 H new ATOM 0 HG21 ILE A 75 17.137 -9.379 19.944 1.00 0.00 H new ATOM 0 HG22 ILE A 75 18.091 -9.424 21.445 1.00 0.00 H new ATOM 0 HG23 ILE A 75 16.664 -8.367 21.329 1.00 0.00 H new ATOM 0 HD11 ILE A 75 16.514 -6.862 17.435 1.00 0.00 H new ATOM 0 HD12 ILE A 75 17.877 -8.002 17.537 1.00 0.00 H new ATOM 0 HD13 ILE A 75 16.378 -8.325 18.440 1.00 0.00 H new ATOM 1153 N ASN A 76 19.067 -7.890 23.590 1.00 0.00 N ATOM 1154 CA ASN A 76 19.662 -8.736 24.619 1.00 0.00 C ATOM 1155 C ASN A 76 21.009 -8.179 25.069 1.00 0.00 C ATOM 1156 O ASN A 76 21.876 -8.920 25.531 1.00 0.00 O ATOM 1157 CB ASN A 76 19.836 -10.164 24.096 1.00 0.00 C ATOM 1158 CG ASN A 76 19.183 -11.193 24.998 1.00 0.00 C ATOM 1159 OD1 ASN A 76 19.552 -11.337 26.164 1.00 0.00 O ATOM 1160 ND2 ASN A 76 18.207 -11.916 24.461 1.00 0.00 N ATOM 0 H ASN A 76 18.184 -7.455 23.859 1.00 0.00 H new ATOM 0 HA ASN A 76 18.990 -8.750 25.477 1.00 0.00 H new ATOM 0 HB2 ASN A 76 19.407 -10.237 23.096 1.00 0.00 H new ATOM 0 HB3 ASN A 76 20.899 -10.388 24.004 1.00 0.00 H new ATOM 0 HD21 ASN A 76 17.731 -12.624 25.019 1.00 0.00 H new ATOM 0 HD22 ASN A 76 17.934 -11.763 23.490 1.00 0.00 H new ATOM 1167 N GLY A 77 21.177 -6.867 24.931 1.00 0.00 N ATOM 1168 CA GLY A 77 22.420 -6.233 25.328 1.00 0.00 C ATOM 1169 C GLY A 77 23.482 -6.314 24.250 1.00 0.00 C ATOM 1170 O GLY A 77 24.674 -6.192 24.534 1.00 0.00 O ATOM 0 H GLY A 77 20.474 -6.232 24.551 1.00 0.00 H new ATOM 0 HA2 GLY A 77 22.230 -5.187 25.569 1.00 0.00 H new ATOM 0 HA3 GLY A 77 22.792 -6.707 26.236 1.00 0.00 H new ATOM 1174 N GLN A 78 23.051 -6.523 23.010 1.00 0.00 N ATOM 1175 CA GLN A 78 23.975 -6.623 21.887 1.00 0.00 C ATOM 1176 C GLN A 78 23.509 -5.759 20.720 1.00 0.00 C ATOM 1177 O GLN A 78 22.425 -5.968 20.175 1.00 0.00 O ATOM 1178 CB GLN A 78 24.109 -8.079 21.438 1.00 0.00 C ATOM 1179 CG GLN A 78 25.488 -8.668 21.686 1.00 0.00 C ATOM 1180 CD GLN A 78 26.423 -8.482 20.506 1.00 0.00 C ATOM 1181 OE1 GLN A 78 26.262 -7.554 19.712 1.00 0.00 O ATOM 1182 NE2 GLN A 78 27.407 -9.364 20.386 1.00 0.00 N ATOM 0 H GLN A 78 22.068 -6.626 22.758 1.00 0.00 H new ATOM 0 HA GLN A 78 24.949 -6.261 22.217 1.00 0.00 H new ATOM 0 HB2 GLN A 78 23.366 -8.682 21.961 1.00 0.00 H new ATOM 0 HB3 GLN A 78 23.881 -8.145 20.374 1.00 0.00 H new ATOM 0 HG2 GLN A 78 25.925 -8.201 22.568 1.00 0.00 H new ATOM 0 HG3 GLN A 78 25.391 -9.732 21.904 1.00 0.00 H new ATOM 0 HE21 GLN A 78 27.503 -10.117 21.067 1.00 0.00 H new ATOM 0 HE22 GLN A 78 28.068 -9.289 19.613 1.00 0.00 H new ATOM 1191 N SER A 79 24.334 -4.789 20.341 1.00 0.00 N ATOM 1192 CA SER A 79 24.005 -3.891 19.240 1.00 0.00 C ATOM 1193 C SER A 79 23.949 -4.650 17.918 1.00 0.00 C ATOM 1194 O SER A 79 24.849 -5.426 17.595 1.00 0.00 O ATOM 1195 CB SER A 79 25.033 -2.761 19.150 1.00 0.00 C ATOM 1196 OG SER A 79 24.907 -1.869 20.244 1.00 0.00 O ATOM 0 H SER A 79 25.236 -4.604 20.780 1.00 0.00 H new ATOM 0 HA SER A 79 23.022 -3.463 19.435 1.00 0.00 H new ATOM 0 HB2 SER A 79 26.039 -3.181 19.133 1.00 0.00 H new ATOM 0 HB3 SER A 79 24.899 -2.216 18.215 1.00 0.00 H new ATOM 0 HG SER A 79 25.576 -1.157 20.164 1.00 0.00 H new ATOM 1202 N VAL A 80 22.885 -4.419 17.155 1.00 0.00 N ATOM 1203 CA VAL A 80 22.710 -5.079 15.867 1.00 0.00 C ATOM 1204 C VAL A 80 22.799 -4.079 14.720 1.00 0.00 C ATOM 1205 O VAL A 80 22.549 -2.887 14.901 1.00 0.00 O ATOM 1206 CB VAL A 80 21.358 -5.812 15.790 1.00 0.00 C ATOM 1207 CG1 VAL A 80 21.219 -6.800 16.938 1.00 0.00 C ATOM 1208 CG2 VAL A 80 20.210 -4.813 15.794 1.00 0.00 C ATOM 0 H VAL A 80 22.131 -3.780 17.407 1.00 0.00 H new ATOM 0 HA VAL A 80 23.515 -5.807 15.774 1.00 0.00 H new ATOM 0 HB VAL A 80 21.321 -6.371 14.855 1.00 0.00 H new ATOM 0 HG11 VAL A 80 20.257 -7.308 16.866 1.00 0.00 H new ATOM 0 HG12 VAL A 80 22.022 -7.535 16.885 1.00 0.00 H new ATOM 0 HG13 VAL A 80 21.278 -6.266 17.887 1.00 0.00 H new ATOM 0 HG21 VAL A 80 19.262 -5.348 15.739 1.00 0.00 H new ATOM 0 HG22 VAL A 80 20.242 -4.225 16.711 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.302 -4.149 14.934 1.00 0.00 H new ATOM 1218 N VAL A 81 23.158 -4.571 13.539 1.00 0.00 N ATOM 1219 CA VAL A 81 23.279 -3.721 12.361 1.00 0.00 C ATOM 1220 C VAL A 81 22.735 -4.420 11.120 1.00 0.00 C ATOM 1221 O VAL A 81 23.130 -4.108 9.996 1.00 0.00 O ATOM 1222 CB VAL A 81 24.744 -3.316 12.108 1.00 0.00 C ATOM 1223 CG1 VAL A 81 25.191 -2.272 13.120 1.00 0.00 C ATOM 1224 CG2 VAL A 81 25.649 -4.538 12.155 1.00 0.00 C ATOM 0 H VAL A 81 23.370 -5.555 13.373 1.00 0.00 H new ATOM 0 HA VAL A 81 22.691 -2.824 12.557 1.00 0.00 H new ATOM 0 HB VAL A 81 24.816 -2.877 11.113 1.00 0.00 H new ATOM 0 HG11 VAL A 81 26.228 -1.998 12.926 1.00 0.00 H new ATOM 0 HG12 VAL A 81 24.560 -1.388 13.033 1.00 0.00 H new ATOM 0 HG13 VAL A 81 25.106 -2.681 14.127 1.00 0.00 H new ATOM 0 HG21 VAL A 81 26.680 -4.234 11.974 1.00 0.00 H new ATOM 0 HG22 VAL A 81 25.576 -5.008 13.136 1.00 0.00 H new ATOM 0 HG23 VAL A 81 25.341 -5.249 11.388 1.00 0.00 H new ATOM 1234 N SER A 82 21.826 -5.366 11.331 1.00 0.00 N ATOM 1235 CA SER A 82 21.230 -6.113 10.230 1.00 0.00 C ATOM 1236 C SER A 82 19.969 -6.840 10.686 1.00 0.00 C ATOM 1237 O SER A 82 19.951 -7.469 11.744 1.00 0.00 O ATOM 1238 CB SER A 82 22.235 -7.117 9.663 1.00 0.00 C ATOM 1239 OG SER A 82 22.207 -8.333 10.391 1.00 0.00 O ATOM 0 H SER A 82 21.486 -5.633 12.255 1.00 0.00 H new ATOM 0 HA SER A 82 20.957 -5.404 9.449 1.00 0.00 H new ATOM 0 HB2 SER A 82 22.008 -7.312 8.615 1.00 0.00 H new ATOM 0 HB3 SER A 82 23.238 -6.692 9.698 1.00 0.00 H new ATOM 0 HG SER A 82 23.061 -8.455 10.857 1.00 0.00 H new ATOM 1245 N ALA A 83 18.917 -6.750 9.880 1.00 0.00 N ATOM 1246 CA ALA A 83 17.652 -7.401 10.199 1.00 0.00 C ATOM 1247 C ALA A 83 17.837 -8.904 10.374 1.00 0.00 C ATOM 1248 O ALA A 83 17.043 -9.563 11.045 1.00 0.00 O ATOM 1249 CB ALA A 83 16.624 -7.116 9.114 1.00 0.00 C ATOM 0 H ALA A 83 18.915 -6.233 9.001 1.00 0.00 H new ATOM 0 HA ALA A 83 17.290 -6.994 11.143 1.00 0.00 H new ATOM 0 HB1 ALA A 83 15.684 -7.608 9.365 1.00 0.00 H new ATOM 0 HB2 ALA A 83 16.462 -6.041 9.040 1.00 0.00 H new ATOM 0 HB3 ALA A 83 16.988 -7.495 8.159 1.00 0.00 H new ATOM 1255 N ASN A 84 18.889 -9.441 9.765 1.00 0.00 N ATOM 1256 CA ASN A 84 19.178 -10.868 9.853 1.00 0.00 C ATOM 1257 C ASN A 84 19.774 -11.220 11.212 1.00 0.00 C ATOM 1258 O ASN A 84 19.663 -12.355 11.675 1.00 0.00 O ATOM 1259 CB ASN A 84 20.139 -11.285 8.738 1.00 0.00 C ATOM 1260 CG ASN A 84 19.767 -12.620 8.122 1.00 0.00 C ATOM 1261 OD1 ASN A 84 19.456 -13.577 8.830 1.00 0.00 O ATOM 1262 ND2 ASN A 84 19.797 -12.688 6.796 1.00 0.00 N ATOM 0 H ASN A 84 19.556 -8.910 9.205 1.00 0.00 H new ATOM 0 HA ASN A 84 18.240 -11.411 9.736 1.00 0.00 H new ATOM 0 HB2 ASN A 84 20.145 -10.519 7.962 1.00 0.00 H new ATOM 0 HB3 ASN A 84 21.152 -11.342 9.137 1.00 0.00 H new ATOM 0 HD21 ASN A 84 19.556 -13.560 6.324 1.00 0.00 H new ATOM 0 HD22 ASN A 84 20.061 -11.868 6.249 1.00 0.00 H new ATOM 1269 N ASP A 85 20.406 -10.239 11.847 1.00 0.00 N ATOM 1270 CA ASP A 85 21.019 -10.443 13.154 1.00 0.00 C ATOM 1271 C ASP A 85 19.961 -10.459 14.254 1.00 0.00 C ATOM 1272 O ASP A 85 19.992 -11.305 15.147 1.00 0.00 O ATOM 1273 CB ASP A 85 22.048 -9.348 13.435 1.00 0.00 C ATOM 1274 CG ASP A 85 23.462 -9.783 13.102 1.00 0.00 C ATOM 1275 OD1 ASP A 85 23.876 -9.611 11.937 1.00 0.00 O ATOM 1276 OD2 ASP A 85 24.154 -10.298 14.006 1.00 0.00 O ATOM 0 H ASP A 85 20.507 -9.294 11.477 1.00 0.00 H new ATOM 0 HA ASP A 85 21.522 -11.410 13.145 1.00 0.00 H new ATOM 0 HB2 ASP A 85 21.798 -8.460 12.854 1.00 0.00 H new ATOM 0 HB3 ASP A 85 21.996 -9.066 14.487 1.00 0.00 H new ATOM 1281 N VAL A 86 19.026 -9.517 14.182 1.00 0.00 N ATOM 1282 CA VAL A 86 17.959 -9.422 15.171 1.00 0.00 C ATOM 1283 C VAL A 86 17.079 -10.667 15.151 1.00 0.00 C ATOM 1284 O VAL A 86 16.434 -11.000 16.145 1.00 0.00 O ATOM 1285 CB VAL A 86 17.079 -8.181 14.930 1.00 0.00 C ATOM 1286 CG1 VAL A 86 17.901 -6.909 15.071 1.00 0.00 C ATOM 1287 CG2 VAL A 86 16.422 -8.252 13.560 1.00 0.00 C ATOM 0 H VAL A 86 18.986 -8.809 13.449 1.00 0.00 H new ATOM 0 HA VAL A 86 18.438 -9.335 16.146 1.00 0.00 H new ATOM 0 HB VAL A 86 16.292 -8.162 15.684 1.00 0.00 H new ATOM 0 HG11 VAL A 86 17.263 -6.042 14.897 1.00 0.00 H new ATOM 0 HG12 VAL A 86 18.320 -6.856 16.076 1.00 0.00 H new ATOM 0 HG13 VAL A 86 18.710 -6.916 14.341 1.00 0.00 H new ATOM 0 HG21 VAL A 86 15.804 -7.367 13.407 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.192 -8.295 12.789 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.799 -9.144 13.501 1.00 0.00 H new ATOM 1297 N SER A 87 17.058 -11.352 14.012 1.00 0.00 N ATOM 1298 CA SER A 87 16.255 -12.559 13.860 1.00 0.00 C ATOM 1299 C SER A 87 16.956 -13.761 14.486 1.00 0.00 C ATOM 1300 O SER A 87 16.313 -14.735 14.877 1.00 0.00 O ATOM 1301 CB SER A 87 15.977 -12.830 12.380 1.00 0.00 C ATOM 1302 OG SER A 87 17.063 -13.510 11.774 1.00 0.00 O ATOM 0 H SER A 87 17.588 -11.091 13.181 1.00 0.00 H new ATOM 0 HA SER A 87 15.308 -12.403 14.377 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.070 -13.425 12.280 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.799 -11.888 11.862 1.00 0.00 H new ATOM 0 HG SER A 87 17.874 -12.965 11.850 1.00 0.00 H new ATOM 1308 N ASP A 88 18.279 -13.683 14.578 1.00 0.00 N ATOM 1309 CA ASP A 88 19.070 -14.763 15.158 1.00 0.00 C ATOM 1310 C ASP A 88 18.801 -14.891 16.654 1.00 0.00 C ATOM 1311 O ASP A 88 18.599 -15.991 17.168 1.00 0.00 O ATOM 1312 CB ASP A 88 20.560 -14.521 14.913 1.00 0.00 C ATOM 1313 CG ASP A 88 21.065 -15.227 13.670 1.00 0.00 C ATOM 1314 OD1 ASP A 88 20.944 -14.648 12.570 1.00 0.00 O ATOM 1315 OD2 ASP A 88 21.579 -16.357 13.796 1.00 0.00 O ATOM 0 H ASP A 88 18.826 -12.884 14.259 1.00 0.00 H new ATOM 0 HA ASP A 88 18.777 -15.695 14.674 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.740 -13.450 14.818 1.00 0.00 H new ATOM 0 HB3 ASP A 88 21.128 -14.864 15.778 1.00 0.00 H new ATOM 1320 N VAL A 89 18.803 -13.758 17.349 1.00 0.00 N ATOM 1321 CA VAL A 89 18.559 -13.742 18.787 1.00 0.00 C ATOM 1322 C VAL A 89 17.229 -14.406 19.126 1.00 0.00 C ATOM 1323 O VAL A 89 17.037 -14.902 20.237 1.00 0.00 O ATOM 1324 CB VAL A 89 18.560 -12.305 19.341 1.00 0.00 C ATOM 1325 CG1 VAL A 89 18.321 -12.312 20.843 1.00 0.00 C ATOM 1326 CG2 VAL A 89 19.868 -11.605 19.004 1.00 0.00 C ATOM 0 H VAL A 89 18.971 -12.839 16.940 1.00 0.00 H new ATOM 0 HA VAL A 89 19.370 -14.302 19.252 1.00 0.00 H new ATOM 0 HB VAL A 89 17.747 -11.752 18.870 1.00 0.00 H new ATOM 0 HG11 VAL A 89 18.325 -11.288 21.217 1.00 0.00 H new ATOM 0 HG12 VAL A 89 17.356 -12.772 21.056 1.00 0.00 H new ATOM 0 HG13 VAL A 89 19.110 -12.881 21.334 1.00 0.00 H new ATOM 0 HG21 VAL A 89 19.851 -10.591 19.403 1.00 0.00 H new ATOM 0 HG22 VAL A 89 20.699 -12.155 19.445 1.00 0.00 H new ATOM 0 HG23 VAL A 89 19.992 -11.567 17.922 1.00 0.00 H new ATOM 1336 N ILE A 90 16.315 -14.411 18.163 1.00 0.00 N ATOM 1337 CA ILE A 90 15.003 -15.015 18.359 1.00 0.00 C ATOM 1338 C ILE A 90 15.119 -16.518 18.593 1.00 0.00 C ATOM 1339 O ILE A 90 14.458 -17.074 19.471 1.00 0.00 O ATOM 1340 CB ILE A 90 14.081 -14.765 17.151 1.00 0.00 C ATOM 1341 CG1 ILE A 90 14.012 -13.269 16.836 1.00 0.00 C ATOM 1342 CG2 ILE A 90 12.690 -15.319 17.422 1.00 0.00 C ATOM 1343 CD1 ILE A 90 13.125 -12.941 15.655 1.00 0.00 C ATOM 0 H ILE A 90 16.458 -14.004 17.239 1.00 0.00 H new ATOM 0 HA ILE A 90 14.568 -14.544 19.241 1.00 0.00 H new ATOM 0 HB ILE A 90 14.494 -15.282 16.285 1.00 0.00 H new ATOM 0 HG12 ILE A 90 13.645 -12.737 17.714 1.00 0.00 H new ATOM 0 HG13 ILE A 90 15.019 -12.901 16.638 1.00 0.00 H new ATOM 0 HG21 ILE A 90 12.050 -15.134 16.559 1.00 0.00 H new ATOM 0 HG22 ILE A 90 12.755 -16.392 17.603 1.00 0.00 H new ATOM 0 HG23 ILE A 90 12.267 -14.828 18.299 1.00 0.00 H new ATOM 0 HD11 ILE A 90 13.123 -11.864 15.489 1.00 0.00 H new ATOM 0 HD12 ILE A 90 13.503 -13.444 14.765 1.00 0.00 H new ATOM 0 HD13 ILE A 90 12.109 -13.278 15.858 1.00 0.00 H new ATOM 1355 N LYS A 91 15.964 -17.170 17.803 1.00 0.00 N ATOM 1356 CA LYS A 91 16.171 -18.609 17.925 1.00 0.00 C ATOM 1357 C LYS A 91 17.320 -18.914 18.880 1.00 0.00 C ATOM 1358 O LYS A 91 17.401 -20.008 19.438 1.00 0.00 O ATOM 1359 CB LYS A 91 16.458 -19.221 16.552 1.00 0.00 C ATOM 1360 CG LYS A 91 17.669 -18.620 15.859 1.00 0.00 C ATOM 1361 CD LYS A 91 18.424 -19.662 15.052 1.00 0.00 C ATOM 1362 CE LYS A 91 17.851 -19.806 13.651 1.00 0.00 C ATOM 1363 NZ LYS A 91 17.718 -21.233 13.249 1.00 0.00 N ATOM 0 H LYS A 91 16.517 -16.725 17.071 1.00 0.00 H new ATOM 0 HA LYS A 91 15.260 -19.050 18.329 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.611 -20.294 16.667 1.00 0.00 H new ATOM 0 HB3 LYS A 91 15.583 -19.090 15.915 1.00 0.00 H new ATOM 0 HG2 LYS A 91 17.349 -17.811 15.202 1.00 0.00 H new ATOM 0 HG3 LYS A 91 18.335 -18.182 16.603 1.00 0.00 H new ATOM 0 HD2 LYS A 91 19.476 -19.383 14.989 1.00 0.00 H new ATOM 0 HD3 LYS A 91 18.380 -20.623 15.565 1.00 0.00 H new ATOM 0 HE2 LYS A 91 16.874 -19.324 13.607 1.00 0.00 H new ATOM 0 HE3 LYS A 91 18.495 -19.287 12.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 17.324 -21.288 12.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 18.653 -21.687 13.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 17.083 -21.723 13.912 1.00 0.00 H new ATOM 1377 N ARG A 92 18.205 -17.940 19.065 1.00 0.00 N ATOM 1378 CA ARG A 92 19.349 -18.105 19.954 1.00 0.00 C ATOM 1379 C ARG A 92 18.912 -18.068 21.415 1.00 0.00 C ATOM 1380 O ARG A 92 19.134 -19.019 22.164 1.00 0.00 O ATOM 1381 CB ARG A 92 20.387 -17.012 19.693 1.00 0.00 C ATOM 1382 CG ARG A 92 21.760 -17.327 20.264 1.00 0.00 C ATOM 1383 CD ARG A 92 22.691 -17.884 19.198 1.00 0.00 C ATOM 1384 NE ARG A 92 23.934 -18.395 19.771 1.00 0.00 N ATOM 1385 CZ ARG A 92 24.983 -18.759 19.043 1.00 0.00 C ATOM 1386 NH1 ARG A 92 24.941 -18.667 17.721 1.00 0.00 N ATOM 1387 NH2 ARG A 92 26.079 -19.215 19.637 1.00 0.00 N ATOM 0 H ARG A 92 18.152 -17.028 18.611 1.00 0.00 H new ATOM 0 HA ARG A 92 19.797 -19.078 19.751 1.00 0.00 H new ATOM 0 HB2 ARG A 92 20.477 -16.857 18.618 1.00 0.00 H new ATOM 0 HB3 ARG A 92 20.031 -16.075 20.121 1.00 0.00 H new ATOM 0 HG2 ARG A 92 22.194 -16.423 20.692 1.00 0.00 H new ATOM 0 HG3 ARG A 92 21.661 -18.048 21.076 1.00 0.00 H new ATOM 0 HD2 ARG A 92 22.185 -18.684 18.657 1.00 0.00 H new ATOM 0 HD3 ARG A 92 22.920 -17.103 18.473 1.00 0.00 H new ATOM 0 HE ARG A 92 24.000 -18.477 20.786 1.00 0.00 H new ATOM 0 HH11 ARG A 92 24.101 -18.316 17.261 1.00 0.00 H new ATOM 0 HH12 ARG A 92 25.748 -18.947 17.164 1.00 0.00 H new ATOM 0 HH21 ARG A 92 26.116 -19.286 20.654 1.00 0.00 H new ATOM 0 HH22 ARG A 92 26.884 -19.494 19.077 1.00 0.00 H new ATOM 1401 N GLU A 93 18.289 -16.963 21.813 1.00 0.00 N ATOM 1402 CA GLU A 93 17.822 -16.802 23.186 1.00 0.00 C ATOM 1403 C GLU A 93 16.307 -16.966 23.268 1.00 0.00 C ATOM 1404 O GLU A 93 15.586 -16.654 22.320 1.00 0.00 O ATOM 1405 CB GLU A 93 18.228 -15.430 23.728 1.00 0.00 C ATOM 1406 CG GLU A 93 19.667 -15.054 23.418 1.00 0.00 C ATOM 1407 CD GLU A 93 20.668 -15.944 24.128 1.00 0.00 C ATOM 1408 OE1 GLU A 93 20.359 -16.411 25.245 1.00 0.00 O ATOM 1409 OE2 GLU A 93 21.760 -16.174 23.568 1.00 0.00 O ATOM 0 H GLU A 93 18.096 -16.167 21.205 1.00 0.00 H new ATOM 0 HA GLU A 93 18.287 -17.577 23.795 1.00 0.00 H new ATOM 0 HB2 GLU A 93 17.565 -14.673 23.309 1.00 0.00 H new ATOM 0 HB3 GLU A 93 18.083 -15.418 24.808 1.00 0.00 H new ATOM 0 HG2 GLU A 93 19.831 -15.115 22.342 1.00 0.00 H new ATOM 0 HG3 GLU A 93 19.838 -14.017 23.708 1.00 0.00 H new ATOM 1416 N SER A 94 15.832 -17.459 24.407 1.00 0.00 N ATOM 1417 CA SER A 94 14.404 -17.670 24.612 1.00 0.00 C ATOM 1418 C SER A 94 13.662 -16.338 24.674 1.00 0.00 C ATOM 1419 O SER A 94 12.566 -16.198 24.131 1.00 0.00 O ATOM 1420 CB SER A 94 14.163 -18.460 25.900 1.00 0.00 C ATOM 1421 OG SER A 94 13.947 -19.833 25.622 1.00 0.00 O ATOM 0 H SER A 94 16.415 -17.720 25.202 1.00 0.00 H new ATOM 0 HA SER A 94 14.021 -18.241 23.766 1.00 0.00 H new ATOM 0 HB2 SER A 94 15.021 -18.350 26.564 1.00 0.00 H new ATOM 0 HB3 SER A 94 13.299 -18.052 26.425 1.00 0.00 H new ATOM 0 HG SER A 94 13.797 -20.317 26.461 1.00 0.00 H new ATOM 1427 N THR A 95 14.268 -15.360 25.340 1.00 0.00 N ATOM 1428 CA THR A 95 13.666 -14.040 25.475 1.00 0.00 C ATOM 1429 C THR A 95 14.198 -13.082 24.414 1.00 0.00 C ATOM 1430 O THR A 95 15.173 -13.383 23.725 1.00 0.00 O ATOM 1431 CB THR A 95 13.931 -13.441 26.870 1.00 0.00 C ATOM 1432 OG1 THR A 95 14.090 -14.491 27.831 1.00 0.00 O ATOM 1433 CG2 THR A 95 12.790 -12.528 27.292 1.00 0.00 C ATOM 0 H THR A 95 15.176 -15.458 25.794 1.00 0.00 H new ATOM 0 HA THR A 95 12.592 -14.167 25.341 1.00 0.00 H new ATOM 0 HB THR A 95 14.847 -12.852 26.821 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.260 -14.103 28.715 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.999 -12.117 28.280 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.691 -11.714 26.574 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.861 -13.098 27.325 1.00 0.00 H new ATOM 1441 N LEU A 96 13.552 -11.928 24.289 1.00 0.00 N ATOM 1442 CA LEU A 96 13.960 -10.925 23.312 1.00 0.00 C ATOM 1443 C LEU A 96 13.941 -9.529 23.924 1.00 0.00 C ATOM 1444 O LEU A 96 12.899 -8.877 23.976 1.00 0.00 O ATOM 1445 CB LEU A 96 13.040 -10.971 22.090 1.00 0.00 C ATOM 1446 CG LEU A 96 13.122 -12.236 21.235 1.00 0.00 C ATOM 1447 CD1 LEU A 96 12.207 -12.124 20.026 1.00 0.00 C ATOM 1448 CD2 LEU A 96 14.557 -12.492 20.798 1.00 0.00 C ATOM 0 H LEU A 96 12.744 -11.664 24.852 1.00 0.00 H new ATOM 0 HA LEU A 96 14.980 -11.151 23.001 1.00 0.00 H new ATOM 0 HB2 LEU A 96 12.011 -10.853 22.430 1.00 0.00 H new ATOM 0 HB3 LEU A 96 13.267 -10.113 21.457 1.00 0.00 H new ATOM 0 HG LEU A 96 12.790 -13.081 21.838 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.279 -13.034 19.430 1.00 0.00 H new ATOM 0 HD12 LEU A 96 11.178 -11.989 20.360 1.00 0.00 H new ATOM 0 HD13 LEU A 96 12.507 -11.269 19.421 1.00 0.00 H new ATOM 0 HD21 LEU A 96 14.597 -13.396 20.190 1.00 0.00 H new ATOM 0 HD22 LEU A 96 14.916 -11.645 20.212 1.00 0.00 H new ATOM 0 HD23 LEU A 96 15.188 -12.618 21.678 1.00 0.00 H new ATOM 1460 N ASN A 97 15.102 -9.075 24.386 1.00 0.00 N ATOM 1461 CA ASN A 97 15.219 -7.755 24.995 1.00 0.00 C ATOM 1462 C ASN A 97 15.683 -6.724 23.970 1.00 0.00 C ATOM 1463 O ASN A 97 16.827 -6.271 24.004 1.00 0.00 O ATOM 1464 CB ASN A 97 16.197 -7.797 26.171 1.00 0.00 C ATOM 1465 CG ASN A 97 15.574 -8.389 27.420 1.00 0.00 C ATOM 1466 OD1 ASN A 97 15.121 -9.634 27.322 1.00 0.00 O flip ATOM 1467 ND2 ASN A 97 15.500 -7.735 28.460 1.00 0.00 N flip ATOM 0 H ASN A 97 15.975 -9.602 24.350 1.00 0.00 H new ATOM 0 HA ASN A 97 14.235 -7.462 25.361 1.00 0.00 H new ATOM 0 HB2 ASN A 97 17.072 -8.384 25.892 1.00 0.00 H new ATOM 0 HB3 ASN A 97 16.546 -6.787 26.386 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.861 -6.782 28.490 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.077 -8.146 29.292 1.00 0.00 H new ATOM 1474 N MET A 98 14.786 -6.357 23.061 1.00 0.00 N ATOM 1475 CA MET A 98 15.103 -5.377 22.028 1.00 0.00 C ATOM 1476 C MET A 98 15.015 -3.958 22.579 1.00 0.00 C ATOM 1477 O MET A 98 14.371 -3.716 23.600 1.00 0.00 O ATOM 1478 CB MET A 98 14.154 -5.534 20.838 1.00 0.00 C ATOM 1479 CG MET A 98 13.917 -6.981 20.436 1.00 0.00 C ATOM 1480 SD MET A 98 13.479 -7.155 18.696 1.00 0.00 S ATOM 1481 CE MET A 98 12.754 -8.793 18.692 1.00 0.00 C ATOM 0 H MET A 98 13.835 -6.723 23.018 1.00 0.00 H new ATOM 0 HA MET A 98 16.125 -5.555 21.695 1.00 0.00 H new ATOM 0 HB2 MET A 98 13.198 -5.072 21.083 1.00 0.00 H new ATOM 0 HB3 MET A 98 14.561 -4.991 19.985 1.00 0.00 H new ATOM 0 HG2 MET A 98 14.816 -7.563 20.640 1.00 0.00 H new ATOM 0 HG3 MET A 98 13.120 -7.399 21.051 1.00 0.00 H new ATOM 0 HE1 MET A 98 12.185 -8.937 17.774 1.00 0.00 H new ATOM 0 HE2 MET A 98 13.545 -9.541 18.750 1.00 0.00 H new ATOM 0 HE3 MET A 98 12.091 -8.899 19.550 1.00 0.00 H new ATOM 1491 N VAL A 99 15.667 -3.021 21.898 1.00 0.00 N ATOM 1492 CA VAL A 99 15.662 -1.626 22.319 1.00 0.00 C ATOM 1493 C VAL A 99 15.467 -0.693 21.129 1.00 0.00 C ATOM 1494 O VAL A 99 16.419 -0.364 20.421 1.00 0.00 O ATOM 1495 CB VAL A 99 16.971 -1.252 23.040 1.00 0.00 C ATOM 1496 CG1 VAL A 99 16.908 0.177 23.556 1.00 0.00 C ATOM 1497 CG2 VAL A 99 17.249 -2.226 24.176 1.00 0.00 C ATOM 0 H VAL A 99 16.206 -3.204 21.051 1.00 0.00 H new ATOM 0 HA VAL A 99 14.828 -1.508 23.011 1.00 0.00 H new ATOM 0 HB VAL A 99 17.791 -1.318 22.325 1.00 0.00 H new ATOM 0 HG11 VAL A 99 17.842 0.423 24.062 1.00 0.00 H new ATOM 0 HG12 VAL A 99 16.758 0.860 22.720 1.00 0.00 H new ATOM 0 HG13 VAL A 99 16.079 0.275 24.257 1.00 0.00 H new ATOM 0 HG21 VAL A 99 18.177 -1.948 24.675 1.00 0.00 H new ATOM 0 HG22 VAL A 99 16.428 -2.193 24.892 1.00 0.00 H new ATOM 0 HG23 VAL A 99 17.341 -3.236 23.775 1.00 0.00 H new ATOM 1507 N VAL A 100 14.226 -0.268 20.915 1.00 0.00 N ATOM 1508 CA VAL A 100 13.904 0.629 19.811 1.00 0.00 C ATOM 1509 C VAL A 100 13.730 2.062 20.300 1.00 0.00 C ATOM 1510 O VAL A 100 13.359 2.295 21.451 1.00 0.00 O ATOM 1511 CB VAL A 100 12.621 0.186 19.084 1.00 0.00 C ATOM 1512 CG1 VAL A 100 11.409 0.360 19.986 1.00 0.00 C ATOM 1513 CG2 VAL A 100 12.447 0.965 17.789 1.00 0.00 C ATOM 0 H VAL A 100 13.427 -0.530 21.492 1.00 0.00 H new ATOM 0 HA VAL A 100 14.741 0.586 19.114 1.00 0.00 H new ATOM 0 HB VAL A 100 12.711 -0.872 18.836 1.00 0.00 H new ATOM 0 HG11 VAL A 100 10.512 0.042 19.455 1.00 0.00 H new ATOM 0 HG12 VAL A 100 11.534 -0.246 20.884 1.00 0.00 H new ATOM 0 HG13 VAL A 100 11.312 1.409 20.267 1.00 0.00 H new ATOM 0 HG21 VAL A 100 11.535 0.639 17.288 1.00 0.00 H new ATOM 0 HG22 VAL A 100 12.378 2.030 18.011 1.00 0.00 H new ATOM 0 HG23 VAL A 100 13.303 0.785 17.138 1.00 0.00 H new ATOM 1523 N ARG A 101 14.000 3.019 19.419 1.00 0.00 N ATOM 1524 CA ARG A 101 13.873 4.431 19.762 1.00 0.00 C ATOM 1525 C ARG A 101 12.507 4.970 19.348 1.00 0.00 C ATOM 1526 O ARG A 101 12.171 4.995 18.164 1.00 0.00 O ATOM 1527 CB ARG A 101 14.980 5.242 19.086 1.00 0.00 C ATOM 1528 CG ARG A 101 16.350 5.047 19.716 1.00 0.00 C ATOM 1529 CD ARG A 101 16.481 5.825 21.016 1.00 0.00 C ATOM 1530 NE ARG A 101 17.877 6.069 21.369 1.00 0.00 N ATOM 1531 CZ ARG A 101 18.268 7.027 22.203 1.00 0.00 C ATOM 1532 NH1 ARG A 101 17.372 7.825 22.766 1.00 0.00 N ATOM 1533 NH2 ARG A 101 19.557 7.186 22.474 1.00 0.00 N ATOM 0 H ARG A 101 14.308 2.843 18.463 1.00 0.00 H new ATOM 0 HA ARG A 101 13.969 4.527 20.843 1.00 0.00 H new ATOM 0 HB2 ARG A 101 15.031 4.964 18.033 1.00 0.00 H new ATOM 0 HB3 ARG A 101 14.719 6.300 19.124 1.00 0.00 H new ATOM 0 HG2 ARG A 101 16.516 3.987 19.907 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.122 5.370 19.018 1.00 0.00 H new ATOM 0 HD2 ARG A 101 15.959 6.777 20.923 1.00 0.00 H new ATOM 0 HD3 ARG A 101 15.995 5.272 21.820 1.00 0.00 H new ATOM 0 HE ARG A 101 18.591 5.471 20.953 1.00 0.00 H new ATOM 0 HH11 ARG A 101 16.380 7.704 22.559 1.00 0.00 H new ATOM 0 HH12 ARG A 101 17.674 8.560 23.406 1.00 0.00 H new ATOM 0 HH21 ARG A 101 20.248 6.573 22.042 1.00 0.00 H new ATOM 0 HH22 ARG A 101 19.857 7.921 23.114 1.00 0.00 H new ATOM 1547 N ARG A 102 11.724 5.401 20.332 1.00 0.00 N ATOM 1548 CA ARG A 102 10.395 5.938 20.070 1.00 0.00 C ATOM 1549 C ARG A 102 10.276 7.370 20.583 1.00 0.00 C ATOM 1550 O ARG A 102 10.617 7.660 21.729 1.00 0.00 O ATOM 1551 CB ARG A 102 9.328 5.060 20.728 1.00 0.00 C ATOM 1552 CG ARG A 102 8.349 4.448 19.739 1.00 0.00 C ATOM 1553 CD ARG A 102 7.736 3.167 20.282 1.00 0.00 C ATOM 1554 NE ARG A 102 8.282 1.980 19.631 1.00 0.00 N ATOM 1555 CZ ARG A 102 7.911 0.740 19.931 1.00 0.00 C ATOM 1556 NH1 ARG A 102 6.997 0.527 20.868 1.00 0.00 N ATOM 1557 NH2 ARG A 102 8.454 -0.289 19.294 1.00 0.00 N ATOM 0 H ARG A 102 11.987 5.389 21.317 1.00 0.00 H new ATOM 0 HA ARG A 102 10.239 5.942 18.991 1.00 0.00 H new ATOM 0 HB2 ARG A 102 9.819 4.260 21.283 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.774 5.657 21.452 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.559 5.165 19.517 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.862 4.238 18.800 1.00 0.00 H new ATOM 0 HD2 ARG A 102 7.915 3.106 21.355 1.00 0.00 H new ATOM 0 HD3 ARG A 102 6.656 3.194 20.140 1.00 0.00 H new ATOM 0 HE ARG A 102 8.987 2.110 18.906 1.00 0.00 H new ATOM 0 HH11 ARG A 102 6.577 1.316 21.360 1.00 0.00 H new ATOM 0 HH12 ARG A 102 6.714 -0.426 21.097 1.00 0.00 H new ATOM 0 HH21 ARG A 102 9.157 -0.129 18.573 1.00 0.00 H new ATOM 0 HH22 ARG A 102 8.168 -1.240 19.525 1.00 0.00 H new ATOM 1571 N GLY A 103 9.792 8.263 19.725 1.00 0.00 N ATOM 1572 CA GLY A 103 9.638 9.654 20.109 1.00 0.00 C ATOM 1573 C GLY A 103 10.967 10.370 20.238 1.00 0.00 C ATOM 1574 O GLY A 103 11.412 11.040 19.306 1.00 0.00 O ATOM 0 H GLY A 103 9.504 8.048 18.771 1.00 0.00 H new ATOM 0 HA2 GLY A 103 9.023 10.166 19.369 1.00 0.00 H new ATOM 0 HA3 GLY A 103 9.106 9.709 21.059 1.00 0.00 H new ATOM 1578 N ASN A 104 11.603 10.231 21.396 1.00 0.00 N ATOM 1579 CA ASN A 104 12.889 10.873 21.644 1.00 0.00 C ATOM 1580 C ASN A 104 13.642 10.168 22.769 1.00 0.00 C ATOM 1581 O ASN A 104 14.341 10.805 23.556 1.00 0.00 O ATOM 1582 CB ASN A 104 12.687 12.348 21.997 1.00 0.00 C ATOM 1583 CG ASN A 104 12.442 13.207 20.772 1.00 0.00 C ATOM 1584 OD1 ASN A 104 11.410 13.868 20.660 1.00 0.00 O ATOM 1585 ND2 ASN A 104 13.394 13.201 19.846 1.00 0.00 N ATOM 0 H ASN A 104 11.249 9.680 22.178 1.00 0.00 H new ATOM 0 HA ASN A 104 13.483 10.802 20.733 1.00 0.00 H new ATOM 0 HB2 ASN A 104 11.842 12.443 22.679 1.00 0.00 H new ATOM 0 HB3 ASN A 104 13.566 12.716 22.526 1.00 0.00 H new ATOM 0 HD21 ASN A 104 13.286 13.760 19.000 1.00 0.00 H new ATOM 0 HD22 ASN A 104 14.233 12.638 19.981 1.00 0.00 H new ATOM 1592 N GLU A 105 13.492 8.848 22.837 1.00 0.00 N ATOM 1593 CA GLU A 105 14.158 8.057 23.865 1.00 0.00 C ATOM 1594 C GLU A 105 14.229 6.588 23.460 1.00 0.00 C ATOM 1595 O GLU A 105 13.750 6.203 22.393 1.00 0.00 O ATOM 1596 CB GLU A 105 13.423 8.194 25.200 1.00 0.00 C ATOM 1597 CG GLU A 105 11.913 8.071 25.080 1.00 0.00 C ATOM 1598 CD GLU A 105 11.236 7.873 26.422 1.00 0.00 C ATOM 1599 OE1 GLU A 105 11.902 7.384 27.358 1.00 0.00 O ATOM 1600 OE2 GLU A 105 10.038 8.207 26.536 1.00 0.00 O ATOM 0 H GLU A 105 12.916 8.305 22.193 1.00 0.00 H new ATOM 0 HA GLU A 105 15.174 8.435 23.977 1.00 0.00 H new ATOM 0 HB2 GLU A 105 13.788 7.429 25.886 1.00 0.00 H new ATOM 0 HB3 GLU A 105 13.666 9.160 25.641 1.00 0.00 H new ATOM 0 HG2 GLU A 105 11.516 8.968 24.606 1.00 0.00 H new ATOM 0 HG3 GLU A 105 11.671 7.232 24.428 1.00 0.00 H new ATOM 1607 N ASP A 106 14.830 5.772 24.319 1.00 0.00 N ATOM 1608 CA ASP A 106 14.965 4.345 24.052 1.00 0.00 C ATOM 1609 C ASP A 106 13.956 3.542 24.867 1.00 0.00 C ATOM 1610 O ASP A 106 13.789 3.771 26.066 1.00 0.00 O ATOM 1611 CB ASP A 106 16.385 3.876 24.370 1.00 0.00 C ATOM 1612 CG ASP A 106 16.769 4.131 25.814 1.00 0.00 C ATOM 1613 OD1 ASP A 106 16.838 5.314 26.210 1.00 0.00 O ATOM 1614 OD2 ASP A 106 16.999 3.148 26.549 1.00 0.00 O ATOM 0 H ASP A 106 15.232 6.075 25.206 1.00 0.00 H new ATOM 0 HA ASP A 106 14.765 4.178 22.994 1.00 0.00 H new ATOM 0 HB2 ASP A 106 16.469 2.810 24.158 1.00 0.00 H new ATOM 0 HB3 ASP A 106 17.089 4.388 23.714 1.00 0.00 H new ATOM 1619 N ILE A 107 13.285 2.602 24.210 1.00 0.00 N ATOM 1620 CA ILE A 107 12.293 1.766 24.875 1.00 0.00 C ATOM 1621 C ILE A 107 12.603 0.285 24.680 1.00 0.00 C ATOM 1622 O ILE A 107 12.922 -0.152 23.575 1.00 0.00 O ATOM 1623 CB ILE A 107 10.873 2.055 24.353 1.00 0.00 C ATOM 1624 CG1 ILE A 107 10.552 3.545 24.483 1.00 0.00 C ATOM 1625 CG2 ILE A 107 9.851 1.219 25.108 1.00 0.00 C ATOM 1626 CD1 ILE A 107 9.249 3.942 23.825 1.00 0.00 C ATOM 0 H ILE A 107 13.410 2.400 23.218 1.00 0.00 H new ATOM 0 HA ILE A 107 12.337 2.007 25.937 1.00 0.00 H new ATOM 0 HB ILE A 107 10.827 1.784 23.298 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.511 3.809 25.540 1.00 0.00 H new ATOM 0 HG13 ILE A 107 11.364 4.123 24.041 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.852 1.434 24.728 1.00 0.00 H new ATOM 0 HG22 ILE A 107 10.072 0.161 24.968 1.00 0.00 H new ATOM 0 HG23 ILE A 107 9.895 1.462 26.170 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.086 5.012 23.957 1.00 0.00 H new ATOM 0 HD12 ILE A 107 9.293 3.710 22.761 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.428 3.391 24.283 1.00 0.00 H new ATOM 1638 N MET A 108 12.504 -0.481 25.761 1.00 0.00 N ATOM 1639 CA MET A 108 12.770 -1.914 25.709 1.00 0.00 C ATOM 1640 C MET A 108 11.535 -2.680 25.247 1.00 0.00 C ATOM 1641 O MET A 108 10.413 -2.361 25.641 1.00 0.00 O ATOM 1642 CB MET A 108 13.217 -2.422 27.081 1.00 0.00 C ATOM 1643 CG MET A 108 14.614 -1.969 27.472 1.00 0.00 C ATOM 1644 SD MET A 108 15.354 -3.014 28.741 1.00 0.00 S ATOM 1645 CE MET A 108 16.902 -3.457 27.955 1.00 0.00 C ATOM 0 H MET A 108 12.242 -0.134 26.684 1.00 0.00 H new ATOM 0 HA MET A 108 13.571 -2.083 24.989 1.00 0.00 H new ATOM 0 HB2 MET A 108 12.508 -2.079 27.835 1.00 0.00 H new ATOM 0 HB3 MET A 108 13.183 -3.511 27.084 1.00 0.00 H new ATOM 0 HG2 MET A 108 15.252 -1.970 26.589 1.00 0.00 H new ATOM 0 HG3 MET A 108 14.571 -0.941 27.833 1.00 0.00 H new ATOM 0 HE1 MET A 108 17.475 -4.105 28.619 1.00 0.00 H new ATOM 0 HE2 MET A 108 16.699 -3.982 27.022 1.00 0.00 H new ATOM 0 HE3 MET A 108 17.475 -2.554 27.746 1.00 0.00 H new ATOM 1655 N ILE A 109 11.749 -3.691 24.412 1.00 0.00 N ATOM 1656 CA ILE A 109 10.652 -4.502 23.898 1.00 0.00 C ATOM 1657 C ILE A 109 10.863 -5.978 24.219 1.00 0.00 C ATOM 1658 O ILE A 109 11.596 -6.679 23.520 1.00 0.00 O ATOM 1659 CB ILE A 109 10.495 -4.337 22.375 1.00 0.00 C ATOM 1660 CG1 ILE A 109 10.369 -2.856 22.012 1.00 0.00 C ATOM 1661 CG2 ILE A 109 9.284 -5.114 21.881 1.00 0.00 C ATOM 1662 CD1 ILE A 109 9.181 -2.175 22.655 1.00 0.00 C ATOM 0 H ILE A 109 12.672 -3.968 24.077 1.00 0.00 H new ATOM 0 HA ILE A 109 9.744 -4.152 24.388 1.00 0.00 H new ATOM 0 HB ILE A 109 11.383 -4.737 21.886 1.00 0.00 H new ATOM 0 HG12 ILE A 109 11.280 -2.338 22.311 1.00 0.00 H new ATOM 0 HG13 ILE A 109 10.290 -2.761 20.929 1.00 0.00 H new ATOM 0 HG21 ILE A 109 9.186 -4.988 20.803 1.00 0.00 H new ATOM 0 HG22 ILE A 109 9.411 -6.172 22.113 1.00 0.00 H new ATOM 0 HG23 ILE A 109 8.386 -4.740 22.373 1.00 0.00 H new ATOM 0 HD11 ILE A 109 9.155 -1.128 22.353 1.00 0.00 H new ATOM 0 HD12 ILE A 109 8.263 -2.668 22.336 1.00 0.00 H new ATOM 0 HD13 ILE A 109 9.269 -2.238 23.740 1.00 0.00 H new ATOM 1674 N THR A 110 10.215 -6.446 25.281 1.00 0.00 N ATOM 1675 CA THR A 110 10.330 -7.839 25.694 1.00 0.00 C ATOM 1676 C THR A 110 9.367 -8.726 24.914 1.00 0.00 C ATOM 1677 O THR A 110 8.150 -8.625 25.069 1.00 0.00 O ATOM 1678 CB THR A 110 10.054 -8.002 27.201 1.00 0.00 C ATOM 1679 OG1 THR A 110 10.766 -7.003 27.940 1.00 0.00 O ATOM 1680 CG2 THR A 110 10.468 -9.386 27.680 1.00 0.00 C ATOM 0 H THR A 110 9.605 -5.880 25.871 1.00 0.00 H new ATOM 0 HA THR A 110 11.354 -8.147 25.483 1.00 0.00 H new ATOM 0 HB THR A 110 8.983 -7.882 27.367 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.584 -7.112 28.897 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.264 -9.478 28.747 1.00 0.00 H new ATOM 0 HG22 THR A 110 9.904 -10.143 27.136 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.534 -9.529 27.501 1.00 0.00 H new ATOM 1688 N VAL A 111 9.919 -9.597 24.075 1.00 0.00 N ATOM 1689 CA VAL A 111 9.109 -10.503 23.271 1.00 0.00 C ATOM 1690 C VAL A 111 9.463 -11.958 23.558 1.00 0.00 C ATOM 1691 O VAL A 111 10.627 -12.292 23.780 1.00 0.00 O ATOM 1692 CB VAL A 111 9.287 -10.231 21.766 1.00 0.00 C ATOM 1693 CG1 VAL A 111 8.497 -11.238 20.943 1.00 0.00 C ATOM 1694 CG2 VAL A 111 8.867 -8.808 21.429 1.00 0.00 C ATOM 0 H VAL A 111 10.925 -9.694 23.935 1.00 0.00 H new ATOM 0 HA VAL A 111 8.069 -10.324 23.544 1.00 0.00 H new ATOM 0 HB VAL A 111 10.342 -10.343 21.517 1.00 0.00 H new ATOM 0 HG11 VAL A 111 8.635 -11.029 19.882 1.00 0.00 H new ATOM 0 HG12 VAL A 111 8.850 -12.245 21.164 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.439 -11.162 21.193 1.00 0.00 H new ATOM 0 HG21 VAL A 111 8.999 -8.633 20.361 1.00 0.00 H new ATOM 0 HG22 VAL A 111 7.819 -8.666 21.693 1.00 0.00 H new ATOM 0 HG23 VAL A 111 9.481 -8.105 21.991 1.00 0.00 H new ATOM 1704 N ILE A 112 8.451 -12.820 23.552 1.00 0.00 N ATOM 1705 CA ILE A 112 8.657 -14.240 23.811 1.00 0.00 C ATOM 1706 C ILE A 112 8.347 -15.074 22.572 1.00 0.00 C ATOM 1707 O ILE A 112 7.228 -15.549 22.377 1.00 0.00 O ATOM 1708 CB ILE A 112 7.782 -14.731 24.979 1.00 0.00 C ATOM 1709 CG1 ILE A 112 7.937 -13.804 26.186 1.00 0.00 C ATOM 1710 CG2 ILE A 112 8.149 -16.160 25.351 1.00 0.00 C ATOM 1711 CD1 ILE A 112 9.366 -13.668 26.664 1.00 0.00 C ATOM 0 H ILE A 112 7.481 -12.560 23.371 1.00 0.00 H new ATOM 0 HA ILE A 112 9.707 -14.365 24.077 1.00 0.00 H new ATOM 0 HB ILE A 112 6.739 -14.715 24.664 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.553 -12.817 25.927 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.323 -14.180 27.004 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.522 -16.493 26.178 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.992 -16.812 24.491 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.196 -16.200 25.650 1.00 0.00 H new ATOM 0 HD11 ILE A 112 9.400 -12.996 27.522 1.00 0.00 H new ATOM 0 HD12 ILE A 112 9.747 -14.647 26.954 1.00 0.00 H new ATOM 0 HD13 ILE A 112 9.981 -13.262 25.861 1.00 0.00 H new ATOM 1723 N PRO A 113 9.362 -15.259 21.715 1.00 0.00 N ATOM 1724 CA PRO A 113 9.224 -16.039 20.482 1.00 0.00 C ATOM 1725 C PRO A 113 9.053 -17.530 20.754 1.00 0.00 C ATOM 1726 O PRO A 113 9.806 -18.117 21.531 1.00 0.00 O ATOM 1727 CB PRO A 113 10.541 -15.777 19.747 1.00 0.00 C ATOM 1728 CG PRO A 113 11.513 -15.435 20.822 1.00 0.00 C ATOM 1729 CD PRO A 113 10.722 -14.722 21.884 1.00 0.00 C ATOM 0 HA PRO A 113 8.339 -15.751 19.915 1.00 0.00 H new ATOM 0 HB2 PRO A 113 10.863 -16.655 19.187 1.00 0.00 H new ATOM 0 HB3 PRO A 113 10.439 -14.961 19.031 1.00 0.00 H new ATOM 0 HG2 PRO A 113 11.984 -16.333 21.223 1.00 0.00 H new ATOM 0 HG3 PRO A 113 12.312 -14.800 20.438 1.00 0.00 H new ATOM 0 HD2 PRO A 113 11.113 -14.925 22.881 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.747 -13.641 21.746 1.00 0.00 H new ATOM 1737 N GLU A 114 8.060 -18.135 20.110 1.00 0.00 N ATOM 1738 CA GLU A 114 7.792 -19.557 20.285 1.00 0.00 C ATOM 1739 C GLU A 114 8.568 -20.386 19.266 1.00 0.00 C ATOM 1740 O GLU A 114 8.695 -20.000 18.104 1.00 0.00 O ATOM 1741 CB GLU A 114 6.294 -19.837 20.152 1.00 0.00 C ATOM 1742 CG GLU A 114 5.422 -18.870 20.936 1.00 0.00 C ATOM 1743 CD GLU A 114 5.770 -18.837 22.412 1.00 0.00 C ATOM 1744 OE1 GLU A 114 6.084 -19.908 22.972 1.00 0.00 O ATOM 1745 OE2 GLU A 114 5.728 -17.739 23.006 1.00 0.00 O ATOM 0 H GLU A 114 7.429 -17.663 19.463 1.00 0.00 H new ATOM 0 HA GLU A 114 8.120 -19.842 21.285 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.017 -19.791 19.099 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.091 -20.853 20.491 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.530 -17.869 20.519 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.376 -19.153 20.819 1.00 0.00 H new