USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 745 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 80 THR OG1 : rot -8:sc= -1.71! USER MOD Set 1.2: A 83 HIS : no HD1:sc= 0.895 K(o=-0.82,f=-12!) USER MOD Set 2.1: A 46 HIS : no HD1:sc= 0.535 K(o=-6.4,f=-16!) USER MOD Set 2.2: A 47 GLN :FLIP amide:sc= -6.92! C(o=-7.2!,f=-6.4!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -1.31 K(o=-1.3,f=-2.1!) USER MOD Single : A 37 ASN : amide:sc= -0.0108 K(o=-0.011,f=-1.7!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 151:sc= -0.196 (180deg=-0.967) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN :FLIP amide:sc= 0 F(o=-2.3!,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 78:sc= 0.249 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HE2:sc= 0.0759 X(o=0.076,f=-0.37) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 90 ASN : amide:sc= -0.0173 K(o=-0.017,f=-1.6!) USER MOD Single : A 94 THR OG1 : rot 73:sc= 0.63 USER MOD Single : A 96 GLN : amide:sc= -3.14! C(o=-3.1!,f=-6.6!) USER MOD Single : A 99 ASN : amide:sc= -0.127 K(o=-0.13,f=-2.2!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc= -2.45! C(o=-6.2!,f=-2.4!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 116 GLN :FLIP amide:sc= -0.0191 F(o=-1.2,f=-0.019) USER MOD Single : A 117 HIS : no HD1:sc= -0.237 X(o=-0.24,f=-0.33) USER MOD Single : A 119 ASN :FLIP amide:sc= -4.87! C(o=-6!,f=-4.9!) USER MOD Single : A 123 ASN : amide:sc= -3.12! C(o=-3.1!,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 274 N PHE A 21 -6.066 -12.139 -4.437 1.00 0.00 N ATOM 275 CA PHE A 21 -4.745 -11.524 -4.486 1.00 0.00 C ATOM 276 C PHE A 21 -3.793 -12.229 -3.526 1.00 0.00 C ATOM 277 O PHE A 21 -2.660 -12.551 -3.881 1.00 0.00 O ATOM 278 CB PHE A 21 -4.842 -10.042 -4.124 1.00 0.00 C ATOM 279 CG PHE A 21 -3.494 -9.387 -4.311 1.00 0.00 C ATOM 280 CD1 PHE A 21 -3.066 -9.019 -5.592 1.00 0.00 C ATOM 281 CD2 PHE A 21 -2.671 -9.149 -3.203 1.00 0.00 C ATOM 282 CE1 PHE A 21 -1.815 -8.414 -5.766 1.00 0.00 C ATOM 283 CE2 PHE A 21 -1.421 -8.543 -3.378 1.00 0.00 C ATOM 284 CZ PHE A 21 -0.993 -8.176 -4.659 1.00 0.00 C ATOM 0 HA PHE A 21 -4.356 -11.620 -5.500 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.586 -9.552 -4.751 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.172 -9.930 -3.091 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.701 -9.202 -6.446 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.000 -9.433 -2.214 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.485 -8.131 -6.755 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.786 -8.359 -2.524 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.028 -7.709 -4.793 1.00 0.00 H new ATOM 294 N TYR A 22 -4.265 -12.463 -2.305 1.00 0.00 N ATOM 295 CA TYR A 22 -3.450 -13.130 -1.295 1.00 0.00 C ATOM 296 C TYR A 22 -3.038 -14.520 -1.766 1.00 0.00 C ATOM 297 O TYR A 22 -1.888 -14.926 -1.596 1.00 0.00 O ATOM 298 CB TYR A 22 -4.236 -13.246 0.014 1.00 0.00 C ATOM 299 CG TYR A 22 -3.362 -13.872 1.073 1.00 0.00 C ATOM 300 CD1 TYR A 22 -2.505 -13.072 1.837 1.00 0.00 C ATOM 301 CD2 TYR A 22 -3.410 -15.254 1.292 1.00 0.00 C ATOM 302 CE1 TYR A 22 -1.694 -13.653 2.819 1.00 0.00 C ATOM 303 CE2 TYR A 22 -2.599 -15.836 2.274 1.00 0.00 C ATOM 304 CZ TYR A 22 -1.742 -15.035 3.038 1.00 0.00 C ATOM 305 OH TYR A 22 -0.943 -15.608 4.007 1.00 0.00 O ATOM 0 H TYR A 22 -5.200 -12.203 -1.993 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.551 -12.535 -1.131 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.569 -12.260 0.339 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.130 -13.851 -0.139 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.469 -12.006 1.669 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.073 -15.871 0.703 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.032 -13.035 3.407 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.635 -16.902 2.442 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.099 -16.575 4.030 1.00 0.00 H new ATOM 315 N GLY A 23 -3.981 -15.245 -2.357 1.00 0.00 N ATOM 316 CA GLY A 23 -3.700 -16.589 -2.846 1.00 0.00 C ATOM 317 C GLY A 23 -2.582 -16.568 -3.884 1.00 0.00 C ATOM 318 O GLY A 23 -1.700 -17.427 -3.876 1.00 0.00 O ATOM 0 H GLY A 23 -4.939 -14.928 -2.508 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.416 -17.232 -2.013 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.601 -17.016 -3.285 1.00 0.00 H new ATOM 322 N LYS A 24 -2.627 -15.584 -4.776 1.00 0.00 N ATOM 323 CA LYS A 24 -1.612 -15.464 -5.815 1.00 0.00 C ATOM 324 C LYS A 24 -0.235 -15.260 -5.191 1.00 0.00 C ATOM 325 O LYS A 24 0.751 -15.849 -5.635 1.00 0.00 O ATOM 326 CB LYS A 24 -1.947 -14.283 -6.733 1.00 0.00 C ATOM 327 CG LYS A 24 -0.980 -14.242 -7.924 1.00 0.00 C ATOM 328 CD LYS A 24 -1.410 -15.262 -8.984 1.00 0.00 C ATOM 329 CE LYS A 24 -0.601 -15.040 -10.262 1.00 0.00 C ATOM 330 NZ LYS A 24 -0.399 -16.344 -10.956 1.00 0.00 N ATOM 0 H LYS A 24 -3.349 -14.864 -4.801 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.598 -16.383 -6.400 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.972 -14.372 -7.092 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.885 -13.350 -6.173 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.964 -13.241 -8.356 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.034 -14.460 -7.588 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.254 -16.275 -8.614 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.475 -15.159 -9.192 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.122 -14.344 -10.919 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.363 -14.591 -10.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.151 -16.193 -11.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.116 -16.995 -10.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.323 -16.755 -11.198 1.00 0.00 H new ATOM 344 N VAL A 25 -0.176 -14.424 -4.159 1.00 0.00 N ATOM 345 CA VAL A 25 1.087 -14.153 -3.480 1.00 0.00 C ATOM 346 C VAL A 25 1.618 -15.417 -2.814 1.00 0.00 C ATOM 347 O VAL A 25 2.817 -15.694 -2.847 1.00 0.00 O ATOM 348 CB VAL A 25 0.892 -13.062 -2.426 1.00 0.00 C ATOM 349 CG1 VAL A 25 2.180 -12.894 -1.620 1.00 0.00 C ATOM 350 CG2 VAL A 25 0.549 -11.740 -3.118 1.00 0.00 C ATOM 0 H VAL A 25 -0.980 -13.926 -3.777 1.00 0.00 H new ATOM 0 HA VAL A 25 1.810 -13.814 -4.222 1.00 0.00 H new ATOM 0 HB VAL A 25 0.079 -13.345 -1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.040 -12.116 -0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.426 -13.835 -1.127 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.993 -12.611 -2.288 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.410 -10.962 -2.367 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.362 -11.458 -3.787 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.369 -11.858 -3.693 1.00 0.00 H new ATOM 360 N LEU A 26 0.715 -16.181 -2.208 1.00 0.00 N ATOM 361 CA LEU A 26 1.097 -17.416 -1.535 1.00 0.00 C ATOM 362 C LEU A 26 1.771 -18.369 -2.516 1.00 0.00 C ATOM 363 O LEU A 26 2.704 -19.088 -2.157 1.00 0.00 O ATOM 364 CB LEU A 26 -0.143 -18.086 -0.934 1.00 0.00 C ATOM 365 CG LEU A 26 0.275 -19.290 -0.082 1.00 0.00 C ATOM 366 CD1 LEU A 26 0.867 -18.812 1.248 1.00 0.00 C ATOM 367 CD2 LEU A 26 -0.952 -20.163 0.195 1.00 0.00 C ATOM 0 H LEU A 26 -0.282 -15.968 -2.169 1.00 0.00 H new ATOM 0 HA LEU A 26 1.801 -17.176 -0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.693 -17.371 -0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.815 -18.408 -1.730 1.00 0.00 H new ATOM 0 HG LEU A 26 1.027 -19.866 -0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.161 -19.674 1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.741 -18.190 1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.121 -18.231 1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.659 -21.021 0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.701 -19.579 0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.371 -20.512 -0.749 1.00 0.00 H new ATOM 379 N ALA A 27 1.288 -18.375 -3.754 1.00 0.00 N ATOM 380 CA ALA A 27 1.847 -19.250 -4.778 1.00 0.00 C ATOM 381 C ALA A 27 3.317 -18.928 -5.027 1.00 0.00 C ATOM 382 O ALA A 27 4.131 -19.829 -5.231 1.00 0.00 O ATOM 383 CB ALA A 27 1.062 -19.092 -6.081 1.00 0.00 C ATOM 0 H ALA A 27 0.516 -17.788 -4.071 1.00 0.00 H new ATOM 0 HA ALA A 27 1.771 -20.279 -4.426 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.484 -19.748 -6.842 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.018 -19.357 -5.912 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.123 -18.058 -6.419 1.00 0.00 H new ATOM 389 N ASP A 28 3.655 -17.642 -5.011 1.00 0.00 N ATOM 390 CA ASP A 28 5.035 -17.228 -5.239 1.00 0.00 C ATOM 391 C ASP A 28 5.820 -17.228 -3.931 1.00 0.00 C ATOM 392 O ASP A 28 5.692 -16.315 -3.117 1.00 0.00 O ATOM 393 CB ASP A 28 5.066 -15.829 -5.854 1.00 0.00 C ATOM 394 CG ASP A 28 6.496 -15.454 -6.226 1.00 0.00 C ATOM 395 OD1 ASP A 28 7.362 -16.305 -6.105 1.00 0.00 O ATOM 396 OD2 ASP A 28 6.705 -14.321 -6.627 1.00 0.00 O ATOM 0 H ASP A 28 3.001 -16.877 -4.845 1.00 0.00 H new ATOM 0 HA ASP A 28 5.497 -17.937 -5.926 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.431 -15.798 -6.740 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.663 -15.103 -5.147 1.00 0.00 H new ATOM 401 N GLU A 29 6.637 -18.257 -3.739 1.00 0.00 N ATOM 402 CA GLU A 29 7.444 -18.370 -2.530 1.00 0.00 C ATOM 403 C GLU A 29 8.598 -17.368 -2.547 1.00 0.00 C ATOM 404 O GLU A 29 9.112 -16.981 -1.498 1.00 0.00 O ATOM 405 CB GLU A 29 8.000 -19.790 -2.404 1.00 0.00 C ATOM 406 CG GLU A 29 6.845 -20.774 -2.215 1.00 0.00 C ATOM 407 CD GLU A 29 7.390 -22.184 -2.009 1.00 0.00 C ATOM 408 OE1 GLU A 29 8.584 -22.366 -2.173 1.00 0.00 O ATOM 409 OE2 GLU A 29 6.603 -23.061 -1.689 1.00 0.00 O ATOM 0 H GLU A 29 6.758 -19.022 -4.402 1.00 0.00 H new ATOM 0 HA GLU A 29 6.806 -18.150 -1.674 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.571 -20.049 -3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.685 -19.850 -1.559 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.242 -20.479 -1.356 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.191 -20.752 -3.087 1.00 0.00 H new ATOM 416 N ARG A 30 9.013 -16.971 -3.746 1.00 0.00 N ATOM 417 CA ARG A 30 10.125 -16.035 -3.892 1.00 0.00 C ATOM 418 C ARG A 30 9.900 -14.760 -3.082 1.00 0.00 C ATOM 419 O ARG A 30 10.826 -14.247 -2.455 1.00 0.00 O ATOM 420 CB ARG A 30 10.301 -15.669 -5.367 1.00 0.00 C ATOM 421 CG ARG A 30 10.674 -16.920 -6.165 1.00 0.00 C ATOM 422 CD ARG A 30 10.952 -16.534 -7.618 1.00 0.00 C ATOM 423 NE ARG A 30 9.790 -15.866 -8.194 1.00 0.00 N ATOM 424 CZ ARG A 30 9.781 -15.475 -9.463 1.00 0.00 C ATOM 425 NH1 ARG A 30 10.824 -15.688 -10.220 1.00 0.00 N ATOM 426 NH2 ARG A 30 8.730 -14.878 -9.955 1.00 0.00 N ATOM 0 H ARG A 30 8.600 -17.280 -4.626 1.00 0.00 H new ATOM 0 HA ARG A 30 11.022 -16.525 -3.514 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.379 -15.238 -5.758 1.00 0.00 H new ATOM 0 HB3 ARG A 30 11.078 -14.912 -5.474 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.553 -17.394 -5.729 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.864 -17.648 -6.120 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.820 -15.876 -7.667 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.193 -17.424 -8.198 1.00 0.00 H new ATOM 0 HE ARG A 30 8.970 -15.696 -7.612 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.646 -16.155 -9.836 1.00 0.00 H new ATOM 0 HH12 ARG A 30 10.817 -15.388 -11.195 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.915 -14.712 -9.365 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.724 -14.578 -10.930 1.00 0.00 H new ATOM 440 N VAL A 31 8.674 -14.244 -3.099 1.00 0.00 N ATOM 441 CA VAL A 31 8.371 -13.022 -2.359 1.00 0.00 C ATOM 442 C VAL A 31 8.163 -13.322 -0.878 1.00 0.00 C ATOM 443 O VAL A 31 8.420 -12.475 -0.022 1.00 0.00 O ATOM 444 CB VAL A 31 7.120 -12.350 -2.931 1.00 0.00 C ATOM 445 CG1 VAL A 31 7.301 -12.117 -4.434 1.00 0.00 C ATOM 446 CG2 VAL A 31 5.904 -13.246 -2.698 1.00 0.00 C ATOM 0 H VAL A 31 7.886 -14.645 -3.608 1.00 0.00 H new ATOM 0 HA VAL A 31 9.220 -12.346 -2.462 1.00 0.00 H new ATOM 0 HB VAL A 31 6.967 -11.393 -2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.409 -11.639 -4.838 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.165 -11.474 -4.601 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.458 -13.073 -4.934 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.015 -12.766 -3.106 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.058 -14.205 -3.193 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.771 -13.408 -1.628 1.00 0.00 H new ATOM 456 N ASN A 32 7.694 -14.530 -0.584 1.00 0.00 N ATOM 457 CA ASN A 32 7.451 -14.934 0.796 1.00 0.00 C ATOM 458 C ASN A 32 8.723 -14.825 1.632 1.00 0.00 C ATOM 459 O ASN A 32 8.665 -14.568 2.834 1.00 0.00 O ATOM 460 CB ASN A 32 6.936 -16.374 0.835 1.00 0.00 C ATOM 461 CG ASN A 32 5.568 -16.456 0.166 1.00 0.00 C ATOM 462 OD1 ASN A 32 4.917 -15.433 -0.046 1.00 0.00 O ATOM 463 ND2 ASN A 32 5.090 -17.621 -0.178 1.00 0.00 N ATOM 0 H ASN A 32 7.475 -15.244 -1.279 1.00 0.00 H new ATOM 0 HA ASN A 32 6.701 -14.264 1.217 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.639 -17.034 0.327 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.866 -16.716 1.867 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.175 -17.685 -0.624 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.632 -18.467 -0.001 1.00 0.00 H new ATOM 470 N ARG A 33 9.869 -15.032 0.993 1.00 0.00 N ATOM 471 CA ARG A 33 11.144 -14.967 1.698 1.00 0.00 C ATOM 472 C ARG A 33 11.291 -13.637 2.436 1.00 0.00 C ATOM 473 O ARG A 33 11.787 -13.596 3.562 1.00 0.00 O ATOM 474 CB ARG A 33 12.295 -15.128 0.702 1.00 0.00 C ATOM 475 CG ARG A 33 12.219 -16.512 0.055 1.00 0.00 C ATOM 476 CD ARG A 33 13.419 -16.709 -0.872 1.00 0.00 C ATOM 477 NE ARG A 33 13.247 -17.918 -1.670 1.00 0.00 N ATOM 478 CZ ARG A 33 13.669 -19.100 -1.231 1.00 0.00 C ATOM 479 NH1 ARG A 33 14.247 -19.194 -0.065 1.00 0.00 N ATOM 480 NH2 ARG A 33 13.504 -20.166 -1.965 1.00 0.00 N ATOM 0 H ARG A 33 9.942 -15.244 -0.002 1.00 0.00 H new ATOM 0 HA ARG A 33 11.173 -15.775 2.429 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.239 -14.354 -0.063 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.251 -15.005 1.211 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.210 -17.284 0.824 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.291 -16.611 -0.508 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.527 -15.845 -1.527 1.00 0.00 H new ATOM 0 HD3 ARG A 33 14.334 -16.780 -0.284 1.00 0.00 H new ATOM 0 HE ARG A 33 12.794 -17.855 -2.582 1.00 0.00 H new ATOM 0 HH11 ARG A 33 14.375 -18.361 0.509 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.571 -20.101 0.272 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.051 -20.093 -2.876 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.828 -21.073 -1.628 1.00 0.00 H new ATOM 494 N PHE A 34 10.857 -12.556 1.798 1.00 0.00 N ATOM 495 CA PHE A 34 10.947 -11.233 2.409 1.00 0.00 C ATOM 496 C PHE A 34 9.981 -11.104 3.583 1.00 0.00 C ATOM 497 O PHE A 34 10.270 -10.416 4.562 1.00 0.00 O ATOM 498 CB PHE A 34 10.635 -10.154 1.370 1.00 0.00 C ATOM 499 CG PHE A 34 11.748 -10.099 0.355 1.00 0.00 C ATOM 500 CD1 PHE A 34 12.894 -9.334 0.612 1.00 0.00 C ATOM 501 CD2 PHE A 34 11.637 -10.810 -0.844 1.00 0.00 C ATOM 502 CE1 PHE A 34 13.927 -9.284 -0.330 1.00 0.00 C ATOM 503 CE2 PHE A 34 12.671 -10.760 -1.787 1.00 0.00 C ATOM 504 CZ PHE A 34 13.817 -9.997 -1.529 1.00 0.00 C ATOM 0 H PHE A 34 10.443 -12.567 0.866 1.00 0.00 H new ATOM 0 HA PHE A 34 11.963 -11.101 2.780 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.688 -10.372 0.876 1.00 0.00 H new ATOM 0 HB3 PHE A 34 10.524 -9.185 1.857 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.980 -8.783 1.537 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.753 -11.398 -1.043 1.00 0.00 H new ATOM 0 HE1 PHE A 34 14.810 -8.695 -0.132 1.00 0.00 H new ATOM 0 HE2 PHE A 34 12.585 -11.309 -2.713 1.00 0.00 H new ATOM 0 HZ PHE A 34 14.615 -9.959 -2.255 1.00 0.00 H new ATOM 514 N PHE A 35 8.831 -11.760 3.475 1.00 0.00 N ATOM 515 CA PHE A 35 7.827 -11.698 4.532 1.00 0.00 C ATOM 516 C PHE A 35 8.162 -12.655 5.671 1.00 0.00 C ATOM 517 O PHE A 35 7.396 -12.784 6.625 1.00 0.00 O ATOM 518 CB PHE A 35 6.446 -12.039 3.966 1.00 0.00 C ATOM 519 CG PHE A 35 6.000 -10.940 3.032 1.00 0.00 C ATOM 520 CD1 PHE A 35 5.441 -9.766 3.552 1.00 0.00 C ATOM 521 CD2 PHE A 35 6.142 -11.094 1.649 1.00 0.00 C ATOM 522 CE1 PHE A 35 5.025 -8.746 2.689 1.00 0.00 C ATOM 523 CE2 PHE A 35 5.726 -10.074 0.784 1.00 0.00 C ATOM 524 CZ PHE A 35 5.168 -8.900 1.304 1.00 0.00 C ATOM 0 H PHE A 35 8.572 -12.336 2.674 1.00 0.00 H new ATOM 0 HA PHE A 35 7.821 -10.682 4.927 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.484 -12.990 3.434 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.727 -12.156 4.777 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.331 -9.648 4.620 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.573 -12.000 1.248 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.594 -7.841 3.090 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.836 -10.193 -0.284 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.848 -8.113 0.637 1.00 0.00 H new ATOM 534 N VAL A 36 9.306 -13.323 5.576 1.00 0.00 N ATOM 535 CA VAL A 36 9.712 -14.258 6.621 1.00 0.00 C ATOM 536 C VAL A 36 9.771 -13.550 7.970 1.00 0.00 C ATOM 537 O VAL A 36 9.303 -14.076 8.980 1.00 0.00 O ATOM 538 CB VAL A 36 11.083 -14.850 6.293 1.00 0.00 C ATOM 539 CG1 VAL A 36 11.610 -15.617 7.507 1.00 0.00 C ATOM 540 CG2 VAL A 36 10.953 -15.807 5.107 1.00 0.00 C ATOM 0 H VAL A 36 9.961 -13.238 4.799 1.00 0.00 H new ATOM 0 HA VAL A 36 8.977 -15.061 6.672 1.00 0.00 H new ATOM 0 HB VAL A 36 11.775 -14.047 6.040 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.587 -16.040 7.274 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.701 -14.938 8.355 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.918 -16.421 7.758 1.00 0.00 H new ATOM 0 HG21 VAL A 36 11.930 -16.230 4.872 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.262 -16.610 5.362 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.575 -15.264 4.241 1.00 0.00 H new ATOM 550 N ASN A 37 10.344 -12.352 7.978 1.00 0.00 N ATOM 551 CA ASN A 37 10.453 -11.574 9.206 1.00 0.00 C ATOM 552 C ASN A 37 9.069 -11.285 9.779 1.00 0.00 C ATOM 553 O ASN A 37 8.890 -11.217 10.995 1.00 0.00 O ATOM 554 CB ASN A 37 11.179 -10.256 8.928 1.00 0.00 C ATOM 555 CG ASN A 37 12.613 -10.533 8.488 1.00 0.00 C ATOM 556 OD1 ASN A 37 13.129 -11.629 8.706 1.00 0.00 O ATOM 557 ND2 ASN A 37 13.290 -9.599 7.878 1.00 0.00 N ATOM 0 H ASN A 37 10.738 -11.900 7.153 1.00 0.00 H new ATOM 0 HA ASN A 37 11.022 -12.154 9.933 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.653 -9.698 8.153 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.178 -9.635 9.824 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.249 -9.776 7.580 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.860 -8.692 7.699 1.00 0.00 H new ATOM 564 N THR A 38 8.096 -11.111 8.891 1.00 0.00 N ATOM 565 CA THR A 38 6.729 -10.823 9.310 1.00 0.00 C ATOM 566 C THR A 38 5.893 -12.100 9.336 1.00 0.00 C ATOM 567 O THR A 38 6.049 -12.972 8.482 1.00 0.00 O ATOM 568 CB THR A 38 6.094 -9.817 8.347 1.00 0.00 C ATOM 569 OG1 THR A 38 6.934 -8.676 8.237 1.00 0.00 O ATOM 570 CG2 THR A 38 4.723 -9.394 8.875 1.00 0.00 C ATOM 0 H THR A 38 8.227 -11.164 7.881 1.00 0.00 H new ATOM 0 HA THR A 38 6.757 -10.402 10.315 1.00 0.00 H new ATOM 0 HB THR A 38 5.975 -10.278 7.367 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.530 -8.031 7.619 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.273 -8.678 8.187 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.079 -10.270 8.959 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.837 -8.933 9.856 1.00 0.00 H new ATOM 578 N ASP A 39 5.006 -12.203 10.321 1.00 0.00 N ATOM 579 CA ASP A 39 4.154 -13.381 10.442 1.00 0.00 C ATOM 580 C ASP A 39 3.106 -13.397 9.332 1.00 0.00 C ATOM 581 O ASP A 39 2.780 -12.360 8.756 1.00 0.00 O ATOM 582 CB ASP A 39 3.462 -13.391 11.807 1.00 0.00 C ATOM 583 CG ASP A 39 2.510 -12.205 11.925 1.00 0.00 C ATOM 584 OD1 ASP A 39 2.210 -11.607 10.906 1.00 0.00 O ATOM 585 OD2 ASP A 39 2.094 -11.914 13.034 1.00 0.00 O ATOM 0 H ASP A 39 4.859 -11.494 11.039 1.00 0.00 H new ATOM 0 HA ASP A 39 4.778 -14.270 10.350 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.911 -14.323 11.937 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.208 -13.348 12.601 1.00 0.00 H new ATOM 590 N MET A 40 2.588 -14.584 9.034 1.00 0.00 N ATOM 591 CA MET A 40 1.583 -14.729 7.987 1.00 0.00 C ATOM 592 C MET A 40 0.330 -13.918 8.307 1.00 0.00 C ATOM 593 O MET A 40 -0.319 -13.388 7.406 1.00 0.00 O ATOM 594 CB MET A 40 1.208 -16.204 7.827 1.00 0.00 C ATOM 595 CG MET A 40 2.420 -16.987 7.319 1.00 0.00 C ATOM 596 SD MET A 40 1.922 -18.686 6.931 1.00 0.00 S ATOM 597 CE MET A 40 0.960 -18.321 5.442 1.00 0.00 C ATOM 0 H MET A 40 2.845 -15.454 9.499 1.00 0.00 H new ATOM 0 HA MET A 40 2.009 -14.352 7.057 1.00 0.00 H new ATOM 0 HB2 MET A 40 0.873 -16.611 8.781 1.00 0.00 H new ATOM 0 HB3 MET A 40 0.378 -16.305 7.128 1.00 0.00 H new ATOM 0 HG2 MET A 40 2.832 -16.506 6.432 1.00 0.00 H new ATOM 0 HG3 MET A 40 3.207 -16.991 8.074 1.00 0.00 H new ATOM 0 HE1 MET A 40 0.991 -19.178 4.770 1.00 0.00 H new ATOM 0 HE2 MET A 40 -0.074 -18.114 5.718 1.00 0.00 H new ATOM 0 HE3 MET A 40 1.383 -17.451 4.940 1.00 0.00 H new ATOM 607 N ALA A 41 -0.013 -13.834 9.588 1.00 0.00 N ATOM 608 CA ALA A 41 -1.202 -13.093 10.000 1.00 0.00 C ATOM 609 C ALA A 41 -1.088 -11.620 9.615 1.00 0.00 C ATOM 610 O ALA A 41 -1.924 -11.098 8.879 1.00 0.00 O ATOM 611 CB ALA A 41 -1.390 -13.211 11.514 1.00 0.00 C ATOM 0 H ALA A 41 0.508 -14.264 10.352 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.064 -13.521 9.488 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.279 -12.656 11.815 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.508 -14.260 11.785 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.517 -12.801 12.022 1.00 0.00 H new ATOM 617 N LYS A 42 -0.052 -10.958 10.116 1.00 0.00 N ATOM 618 CA LYS A 42 0.156 -9.546 9.812 1.00 0.00 C ATOM 619 C LYS A 42 0.346 -9.348 8.312 1.00 0.00 C ATOM 620 O LYS A 42 -0.070 -8.333 7.751 1.00 0.00 O ATOM 621 CB LYS A 42 1.386 -9.023 10.558 1.00 0.00 C ATOM 622 CG LYS A 42 1.451 -7.500 10.433 1.00 0.00 C ATOM 623 CD LYS A 42 0.651 -6.861 11.571 1.00 0.00 C ATOM 624 CE LYS A 42 1.505 -6.829 12.840 1.00 0.00 C ATOM 625 NZ LYS A 42 0.669 -7.215 14.011 1.00 0.00 N ATOM 0 H LYS A 42 0.651 -11.370 10.729 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.724 -8.990 10.135 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.336 -9.310 11.608 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.291 -9.471 10.147 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.488 -7.165 10.470 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.049 -7.186 9.470 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.351 -5.850 11.296 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.263 -7.427 11.749 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.349 -7.512 12.741 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.918 -5.831 12.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.249 -7.193 14.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.122 -6.546 14.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.295 -8.175 13.869 1.00 0.00 H new ATOM 639 N GLN A 43 0.984 -10.322 7.673 1.00 0.00 N ATOM 640 CA GLN A 43 1.239 -10.249 6.239 1.00 0.00 C ATOM 641 C GLN A 43 -0.052 -9.993 5.467 1.00 0.00 C ATOM 642 O GLN A 43 -0.062 -9.236 4.496 1.00 0.00 O ATOM 643 CB GLN A 43 1.869 -11.559 5.759 1.00 0.00 C ATOM 644 CG GLN A 43 2.317 -11.408 4.304 1.00 0.00 C ATOM 645 CD GLN A 43 2.854 -12.738 3.786 1.00 0.00 C ATOM 646 OE1 GLN A 43 2.984 -13.743 4.608 1.00 0.00 O flip ATOM 647 NE2 GLN A 43 3.164 -12.864 2.602 1.00 0.00 N flip ATOM 0 H GLN A 43 1.333 -11.168 8.123 1.00 0.00 H new ATOM 0 HA GLN A 43 1.923 -9.421 6.055 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.721 -11.817 6.388 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.150 -12.374 5.846 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.479 -11.080 3.689 1.00 0.00 H new ATOM 0 HG3 GLN A 43 3.088 -10.641 4.229 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.061 -12.077 1.961 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.524 -13.756 2.261 1.00 0.00 H new ATOM 656 N LYS A 44 -1.140 -10.622 5.899 1.00 0.00 N ATOM 657 CA LYS A 44 -2.422 -10.443 5.227 1.00 0.00 C ATOM 658 C LYS A 44 -2.814 -8.969 5.207 1.00 0.00 C ATOM 659 O LYS A 44 -3.365 -8.477 4.223 1.00 0.00 O ATOM 660 CB LYS A 44 -3.508 -11.252 5.940 1.00 0.00 C ATOM 661 CG LYS A 44 -3.209 -12.746 5.802 1.00 0.00 C ATOM 662 CD LYS A 44 -4.268 -13.555 6.556 1.00 0.00 C ATOM 663 CE LYS A 44 -5.618 -13.431 5.844 1.00 0.00 C ATOM 664 NZ LYS A 44 -6.488 -14.579 6.227 1.00 0.00 N ATOM 0 H LYS A 44 -1.161 -11.252 6.701 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.324 -10.797 4.201 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.549 -10.975 6.993 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.485 -11.025 5.512 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.202 -13.030 4.750 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.218 -12.967 6.199 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.969 -14.602 6.610 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.353 -13.195 7.581 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.099 -12.491 6.114 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.472 -13.416 4.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.405 -14.496 5.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.030 -15.470 5.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.637 -14.573 7.256 1.00 0.00 H new ATOM 678 N GLN A 45 -2.525 -8.272 6.301 1.00 0.00 N ATOM 679 CA GLN A 45 -2.850 -6.854 6.398 1.00 0.00 C ATOM 680 C GLN A 45 -2.116 -6.054 5.325 1.00 0.00 C ATOM 681 O GLN A 45 -2.671 -5.119 4.747 1.00 0.00 O ATOM 682 CB GLN A 45 -2.466 -6.324 7.782 1.00 0.00 C ATOM 683 CG GLN A 45 -2.978 -4.891 7.941 1.00 0.00 C ATOM 684 CD GLN A 45 -2.635 -4.365 9.331 1.00 0.00 C ATOM 685 OE1 GLN A 45 -2.142 -5.115 10.174 1.00 0.00 O ATOM 686 NE2 GLN A 45 -2.870 -3.116 9.621 1.00 0.00 N ATOM 0 H GLN A 45 -2.070 -8.662 7.126 1.00 0.00 H new ATOM 0 HA GLN A 45 -3.923 -6.739 6.247 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.891 -6.961 8.558 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.383 -6.350 7.905 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.532 -4.250 7.180 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.057 -4.863 7.789 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.278 -2.498 8.920 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.645 -2.757 10.549 1.00 0.00 H new ATOM 695 N HIS A 46 -0.865 -6.422 5.069 1.00 0.00 N ATOM 696 CA HIS A 46 -0.064 -5.724 4.070 1.00 0.00 C ATOM 697 C HIS A 46 -0.721 -5.802 2.695 1.00 0.00 C ATOM 698 O HIS A 46 -0.844 -4.794 1.999 1.00 0.00 O ATOM 699 CB HIS A 46 1.338 -6.332 4.002 1.00 0.00 C ATOM 700 CG HIS A 46 2.198 -5.504 3.087 1.00 0.00 C ATOM 701 ND1 HIS A 46 2.475 -5.886 1.784 1.00 0.00 N ATOM 702 CD2 HIS A 46 2.847 -4.309 3.273 1.00 0.00 C ATOM 703 CE1 HIS A 46 3.260 -4.937 1.242 1.00 0.00 C ATOM 704 NE2 HIS A 46 3.516 -3.952 2.107 1.00 0.00 N ATOM 0 H HIS A 46 -0.387 -7.193 5.535 1.00 0.00 H new ATOM 0 HA HIS A 46 0.007 -4.677 4.364 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.779 -6.369 4.998 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.284 -7.358 3.639 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.839 -3.733 4.187 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.637 -4.968 0.230 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.081 -3.118 1.947 1.00 0.00 H new ATOM 712 N GLN A 47 -1.142 -7.001 2.309 1.00 0.00 N ATOM 713 CA GLN A 47 -1.786 -7.187 1.013 1.00 0.00 C ATOM 714 C GLN A 47 -3.057 -6.351 0.923 1.00 0.00 C ATOM 715 O GLN A 47 -3.355 -5.770 -0.121 1.00 0.00 O ATOM 716 CB GLN A 47 -2.126 -8.665 0.801 1.00 0.00 C ATOM 717 CG GLN A 47 -0.849 -9.464 0.516 1.00 0.00 C ATOM 718 CD GLN A 47 0.353 -8.822 1.202 1.00 0.00 C ATOM 719 OE1 GLN A 47 0.806 -9.334 2.312 1.00 0.00 O flip ATOM 720 NE2 GLN A 47 0.898 -7.834 0.711 1.00 0.00 N flip ATOM 0 H GLN A 47 -1.051 -7.850 2.867 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.094 -6.862 0.236 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.623 -9.062 1.686 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.823 -8.770 -0.030 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.970 -10.489 0.867 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.677 -9.513 -0.559 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.543 -7.434 -0.158 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.705 -7.415 1.173 1.00 0.00 H new ATOM 729 N LYS A 48 -3.801 -6.288 2.022 1.00 0.00 N ATOM 730 CA LYS A 48 -5.035 -5.511 2.047 1.00 0.00 C ATOM 731 C LYS A 48 -4.737 -4.036 1.804 1.00 0.00 C ATOM 732 O LYS A 48 -5.395 -3.383 0.994 1.00 0.00 O ATOM 733 CB LYS A 48 -5.730 -5.679 3.398 1.00 0.00 C ATOM 734 CG LYS A 48 -7.086 -4.972 3.366 1.00 0.00 C ATOM 735 CD LYS A 48 -7.751 -5.083 4.739 1.00 0.00 C ATOM 736 CE LYS A 48 -9.172 -4.519 4.666 1.00 0.00 C ATOM 737 NZ LYS A 48 -9.767 -4.494 6.032 1.00 0.00 N ATOM 0 H LYS A 48 -3.575 -6.760 2.898 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.691 -5.874 1.256 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.865 -6.738 3.620 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.110 -5.263 4.192 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.955 -3.924 3.097 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.724 -5.420 2.604 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.778 -6.125 5.058 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.169 -4.537 5.482 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.154 -3.513 4.247 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.784 -5.130 4.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.733 -4.111 5.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.797 -5.460 6.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.187 -3.893 6.652 1.00 0.00 H new ATOM 751 N ASP A 49 -3.736 -3.518 2.510 1.00 0.00 N ATOM 752 CA ASP A 49 -3.351 -2.119 2.364 1.00 0.00 C ATOM 753 C ASP A 49 -2.816 -1.854 0.960 1.00 0.00 C ATOM 754 O ASP A 49 -3.074 -0.803 0.374 1.00 0.00 O ATOM 755 CB ASP A 49 -2.282 -1.760 3.396 1.00 0.00 C ATOM 756 CG ASP A 49 -2.870 -1.829 4.802 1.00 0.00 C ATOM 757 OD1 ASP A 49 -4.082 -1.902 4.912 1.00 0.00 O ATOM 758 OD2 ASP A 49 -2.098 -1.808 5.746 1.00 0.00 O ATOM 0 H ASP A 49 -3.180 -4.043 3.185 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.234 -1.501 2.527 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.439 -2.445 3.312 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.899 -0.758 3.202 1.00 0.00 H new ATOM 763 N PHE A 50 -2.064 -2.814 0.432 1.00 0.00 N ATOM 764 CA PHE A 50 -1.490 -2.677 -0.901 1.00 0.00 C ATOM 765 C PHE A 50 -2.584 -2.462 -1.940 1.00 0.00 C ATOM 766 O PHE A 50 -2.469 -1.595 -2.807 1.00 0.00 O ATOM 767 CB PHE A 50 -0.691 -3.934 -1.252 1.00 0.00 C ATOM 768 CG PHE A 50 0.014 -3.737 -2.572 1.00 0.00 C ATOM 769 CD1 PHE A 50 1.279 -3.139 -2.608 1.00 0.00 C ATOM 770 CD2 PHE A 50 -0.597 -4.153 -3.760 1.00 0.00 C ATOM 771 CE1 PHE A 50 1.933 -2.957 -3.831 1.00 0.00 C ATOM 772 CE2 PHE A 50 0.057 -3.971 -4.985 1.00 0.00 C ATOM 773 CZ PHE A 50 1.322 -3.374 -5.020 1.00 0.00 C ATOM 0 H PHE A 50 -1.839 -3.690 0.903 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.830 -1.810 -0.905 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.037 -4.145 -0.468 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.356 -4.795 -1.309 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.750 -2.818 -1.691 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.573 -4.614 -3.732 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.909 -2.495 -3.858 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.415 -4.291 -5.902 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.827 -3.235 -5.964 1.00 0.00 H new ATOM 783 N MET A 51 -3.644 -3.257 -1.849 1.00 0.00 N ATOM 784 CA MET A 51 -4.753 -3.145 -2.791 1.00 0.00 C ATOM 785 C MET A 51 -5.407 -1.771 -2.699 1.00 0.00 C ATOM 786 O MET A 51 -5.769 -1.179 -3.713 1.00 0.00 O ATOM 787 CB MET A 51 -5.795 -4.227 -2.497 1.00 0.00 C ATOM 788 CG MET A 51 -6.889 -4.186 -3.565 1.00 0.00 C ATOM 789 SD MET A 51 -8.187 -5.375 -3.143 1.00 0.00 S ATOM 790 CE MET A 51 -9.218 -5.115 -4.608 1.00 0.00 C ATOM 0 H MET A 51 -3.760 -3.980 -1.139 1.00 0.00 H new ATOM 0 HA MET A 51 -4.360 -3.277 -3.799 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.322 -5.209 -2.484 1.00 0.00 H new ATOM 0 HB3 MET A 51 -6.230 -4.070 -1.510 1.00 0.00 H new ATOM 0 HG2 MET A 51 -7.308 -3.182 -3.633 1.00 0.00 H new ATOM 0 HG3 MET A 51 -6.468 -4.423 -4.542 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.094 -5.762 -4.556 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.538 -4.074 -4.648 1.00 0.00 H new ATOM 0 HE3 MET A 51 -8.644 -5.353 -5.504 1.00 0.00 H new ATOM 800 N THR A 52 -5.556 -1.268 -1.477 1.00 0.00 N ATOM 801 CA THR A 52 -6.173 0.038 -1.269 1.00 0.00 C ATOM 802 C THR A 52 -5.393 1.130 -1.994 1.00 0.00 C ATOM 803 O THR A 52 -5.978 2.042 -2.578 1.00 0.00 O ATOM 804 CB THR A 52 -6.228 0.355 0.227 1.00 0.00 C ATOM 805 OG1 THR A 52 -6.893 -0.700 0.908 1.00 0.00 O ATOM 806 CG2 THR A 52 -6.986 1.665 0.446 1.00 0.00 C ATOM 0 H THR A 52 -5.261 -1.740 -0.622 1.00 0.00 H new ATOM 0 HA THR A 52 -7.184 0.006 -1.674 1.00 0.00 H new ATOM 0 HB THR A 52 -5.214 0.457 0.615 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.279 -1.456 1.019 1.00 0.00 H new ATOM 0 HG21 THR A 52 -7.024 1.889 1.512 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.474 2.473 -0.077 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.000 1.567 0.059 1.00 0.00 H new ATOM 814 N TYR A 53 -4.069 1.035 -1.947 1.00 0.00 N ATOM 815 CA TYR A 53 -3.215 2.023 -2.597 1.00 0.00 C ATOM 816 C TYR A 53 -3.486 2.066 -4.100 1.00 0.00 C ATOM 817 O TYR A 53 -3.472 3.135 -4.712 1.00 0.00 O ATOM 818 CB TYR A 53 -1.745 1.684 -2.348 1.00 0.00 C ATOM 819 CG TYR A 53 -0.872 2.805 -2.862 1.00 0.00 C ATOM 820 CD1 TYR A 53 -0.650 3.936 -2.068 1.00 0.00 C ATOM 821 CD2 TYR A 53 -0.286 2.713 -4.130 1.00 0.00 C ATOM 822 CE1 TYR A 53 0.158 4.976 -2.542 1.00 0.00 C ATOM 823 CE2 TYR A 53 0.522 3.753 -4.603 1.00 0.00 C ATOM 824 CZ TYR A 53 0.745 4.885 -3.809 1.00 0.00 C ATOM 825 OH TYR A 53 1.542 5.909 -4.276 1.00 0.00 O ATOM 0 H TYR A 53 -3.565 0.288 -1.468 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.438 3.003 -2.175 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.571 1.534 -1.282 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.487 0.750 -2.848 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.102 4.006 -1.090 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.457 1.840 -4.743 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.328 5.849 -1.930 1.00 0.00 H new ATOM 0 HE2 TYR A 53 0.974 3.683 -5.581 1.00 0.00 H new ATOM 0 HH TYR A 53 1.871 5.685 -5.172 1.00 0.00 H new ATOM 835 N ALA A 54 -3.724 0.898 -4.689 1.00 0.00 N ATOM 836 CA ALA A 54 -3.989 0.813 -6.123 1.00 0.00 C ATOM 837 C ALA A 54 -5.238 1.608 -6.497 1.00 0.00 C ATOM 838 O ALA A 54 -5.330 2.154 -7.596 1.00 0.00 O ATOM 839 CB ALA A 54 -4.174 -0.650 -6.530 1.00 0.00 C ATOM 0 H ALA A 54 -3.739 0.003 -4.200 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.136 1.238 -6.653 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.371 -0.708 -7.600 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.268 -1.210 -6.297 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.015 -1.076 -5.983 1.00 0.00 H new ATOM 845 N PHE A 55 -6.197 1.666 -5.579 1.00 0.00 N ATOM 846 CA PHE A 55 -7.437 2.395 -5.827 1.00 0.00 C ATOM 847 C PHE A 55 -7.300 3.858 -5.420 1.00 0.00 C ATOM 848 O PHE A 55 -8.285 4.595 -5.378 1.00 0.00 O ATOM 849 CB PHE A 55 -8.588 1.749 -5.053 1.00 0.00 C ATOM 850 CG PHE A 55 -9.062 0.518 -5.791 1.00 0.00 C ATOM 851 CD1 PHE A 55 -8.275 -0.638 -5.803 1.00 0.00 C ATOM 852 CD2 PHE A 55 -10.290 0.536 -6.465 1.00 0.00 C ATOM 853 CE1 PHE A 55 -8.714 -1.777 -6.489 1.00 0.00 C ATOM 854 CE2 PHE A 55 -10.729 -0.602 -7.150 1.00 0.00 C ATOM 855 CZ PHE A 55 -9.941 -1.759 -7.162 1.00 0.00 C ATOM 0 H PHE A 55 -6.141 1.221 -4.663 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.649 2.352 -6.895 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.260 1.480 -4.049 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.409 2.458 -4.941 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -7.328 -0.652 -5.283 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.898 1.429 -6.456 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.106 -2.669 -6.499 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -11.676 -0.588 -7.670 1.00 0.00 H new ATOM 0 HZ PHE A 55 -10.280 -2.638 -7.691 1.00 0.00 H new ATOM 865 N GLY A 56 -6.074 4.276 -5.124 1.00 0.00 N ATOM 866 CA GLY A 56 -5.826 5.658 -4.726 1.00 0.00 C ATOM 867 C GLY A 56 -6.084 5.858 -3.236 1.00 0.00 C ATOM 868 O GLY A 56 -6.591 6.900 -2.820 1.00 0.00 O ATOM 0 H GLY A 56 -5.243 3.685 -5.151 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.796 5.927 -4.959 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.467 6.326 -5.302 1.00 0.00 H new ATOM 1005 N MET A 66 7.608 6.382 5.309 1.00 0.00 N ATOM 1006 CA MET A 66 7.346 5.050 4.776 1.00 0.00 C ATOM 1007 C MET A 66 8.654 4.332 4.459 1.00 0.00 C ATOM 1008 O MET A 66 8.759 3.115 4.613 1.00 0.00 O ATOM 1009 CB MET A 66 6.497 5.151 3.508 1.00 0.00 C ATOM 1010 CG MET A 66 5.102 5.664 3.866 1.00 0.00 C ATOM 1011 SD MET A 66 4.244 4.427 4.871 1.00 0.00 S ATOM 1012 CE MET A 66 3.700 5.541 6.189 1.00 0.00 C ATOM 0 HA MET A 66 6.805 4.479 5.530 1.00 0.00 H new ATOM 0 HB2 MET A 66 6.971 5.824 2.793 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.425 4.175 3.028 1.00 0.00 H new ATOM 0 HG2 MET A 66 5.178 6.604 4.413 1.00 0.00 H new ATOM 0 HG3 MET A 66 4.534 5.868 2.958 1.00 0.00 H new ATOM 0 HE1 MET A 66 3.139 4.977 6.934 1.00 0.00 H new ATOM 0 HE2 MET A 66 4.570 5.999 6.660 1.00 0.00 H new ATOM 0 HE3 MET A 66 3.063 6.319 5.768 1.00 0.00 H new ATOM 1022 N ARG A 67 9.648 5.093 4.014 1.00 0.00 N ATOM 1023 CA ARG A 67 10.945 4.518 3.674 1.00 0.00 C ATOM 1024 C ARG A 67 11.539 3.782 4.872 1.00 0.00 C ATOM 1025 O ARG A 67 12.168 2.736 4.719 1.00 0.00 O ATOM 1026 CB ARG A 67 11.904 5.622 3.228 1.00 0.00 C ATOM 1027 CG ARG A 67 11.372 6.277 1.952 1.00 0.00 C ATOM 1028 CD ARG A 67 12.389 7.299 1.441 1.00 0.00 C ATOM 1029 NE ARG A 67 11.811 8.089 0.360 1.00 0.00 N ATOM 1030 CZ ARG A 67 12.315 9.274 0.029 1.00 0.00 C ATOM 1031 NH1 ARG A 67 13.343 9.749 0.678 1.00 0.00 N ATOM 1032 NH2 ARG A 67 11.782 9.963 -0.942 1.00 0.00 N ATOM 0 H ARG A 67 9.582 6.102 3.881 1.00 0.00 H new ATOM 0 HA ARG A 67 10.802 3.807 2.860 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.008 6.368 4.016 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.896 5.206 3.050 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.188 5.519 1.191 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.418 6.766 2.152 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.697 7.955 2.256 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.284 6.787 1.088 1.00 0.00 H new ATOM 0 HE ARG A 67 11.006 7.726 -0.151 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.759 9.211 1.438 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.730 10.658 0.425 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.978 9.593 -1.448 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.170 10.872 -1.195 1.00 0.00 H new ATOM 1046 N ALA A 68 11.336 4.337 6.062 1.00 0.00 N ATOM 1047 CA ALA A 68 11.859 3.723 7.278 1.00 0.00 C ATOM 1048 C ALA A 68 11.227 2.354 7.505 1.00 0.00 C ATOM 1049 O ALA A 68 11.879 1.433 7.998 1.00 0.00 O ATOM 1050 CB ALA A 68 11.576 4.623 8.482 1.00 0.00 C ATOM 0 H ALA A 68 10.818 5.203 6.211 1.00 0.00 H new ATOM 0 HA ALA A 68 12.936 3.598 7.163 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.970 4.157 9.385 1.00 0.00 H new ATOM 0 HB2 ALA A 68 12.056 5.590 8.334 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.500 4.764 8.586 1.00 0.00 H new ATOM 1056 N ALA A 69 9.954 2.227 7.144 1.00 0.00 N ATOM 1057 CA ALA A 69 9.245 0.964 7.317 1.00 0.00 C ATOM 1058 C ALA A 69 9.883 -0.133 6.470 1.00 0.00 C ATOM 1059 O ALA A 69 9.966 -1.286 6.892 1.00 0.00 O ATOM 1060 CB ALA A 69 7.778 1.132 6.918 1.00 0.00 C ATOM 0 H ALA A 69 9.396 2.976 6.733 1.00 0.00 H new ATOM 0 HA ALA A 69 9.307 0.676 8.366 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.254 0.185 7.050 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.315 1.893 7.546 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.718 1.438 5.874 1.00 0.00 H new ATOM 1066 N HIS A 70 10.329 0.232 5.272 1.00 0.00 N ATOM 1067 CA HIS A 70 10.955 -0.734 4.376 1.00 0.00 C ATOM 1068 C HIS A 70 12.472 -0.719 4.540 1.00 0.00 C ATOM 1069 O HIS A 70 13.160 -1.642 4.104 1.00 0.00 O ATOM 1070 CB HIS A 70 10.594 -0.411 2.925 1.00 0.00 C ATOM 1071 CG HIS A 70 9.109 -0.559 2.734 1.00 0.00 C ATOM 1072 ND1 HIS A 70 8.235 0.508 2.872 1.00 0.00 N ATOM 1073 CD2 HIS A 70 8.329 -1.643 2.413 1.00 0.00 C ATOM 1074 CE1 HIS A 70 6.993 0.049 2.637 1.00 0.00 C ATOM 1075 NE2 HIS A 70 6.993 -1.257 2.353 1.00 0.00 N ATOM 0 H HIS A 70 10.270 1.181 4.902 1.00 0.00 H new ATOM 0 HA HIS A 70 10.585 -1.727 4.631 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.904 0.605 2.679 1.00 0.00 H new ATOM 0 HB3 HIS A 70 11.127 -1.079 2.249 1.00 0.00 H new ATOM 0 HD1 HIS A 70 8.488 1.467 3.109 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.696 -2.643 2.234 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.104 0.661 2.673 1.00 0.00 H new ATOM 1083 N GLN A 71 12.988 0.333 5.167 1.00 0.00 N ATOM 1084 CA GLN A 71 14.426 0.451 5.377 1.00 0.00 C ATOM 1085 C GLN A 71 14.952 -0.746 6.163 1.00 0.00 C ATOM 1086 O GLN A 71 16.039 -1.253 5.887 1.00 0.00 O ATOM 1087 CB GLN A 71 14.741 1.741 6.135 1.00 0.00 C ATOM 1088 CG GLN A 71 16.255 1.959 6.171 1.00 0.00 C ATOM 1089 CD GLN A 71 16.577 3.269 6.883 1.00 0.00 C ATOM 1090 OE1 GLN A 71 15.672 4.038 7.209 1.00 0.00 O ATOM 1091 NE2 GLN A 71 17.819 3.571 7.145 1.00 0.00 N ATOM 0 H GLN A 71 12.438 1.109 5.535 1.00 0.00 H new ATOM 0 HA GLN A 71 14.915 0.476 4.403 1.00 0.00 H new ATOM 0 HB2 GLN A 71 14.253 2.587 5.651 1.00 0.00 H new ATOM 0 HB3 GLN A 71 14.348 1.684 7.150 1.00 0.00 H new ATOM 0 HG2 GLN A 71 16.738 1.128 6.685 1.00 0.00 H new ATOM 0 HG3 GLN A 71 16.652 1.980 5.156 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.567 2.933 6.874 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.042 4.445 7.621 1.00 0.00 H new ATOM 1100 N ASP A 72 14.174 -1.191 7.144 1.00 0.00 N ATOM 1101 CA ASP A 72 14.572 -2.329 7.964 1.00 0.00 C ATOM 1102 C ASP A 72 14.784 -3.568 7.100 1.00 0.00 C ATOM 1103 O ASP A 72 15.707 -4.348 7.334 1.00 0.00 O ATOM 1104 CB ASP A 72 13.500 -2.616 9.016 1.00 0.00 C ATOM 1105 CG ASP A 72 13.429 -1.467 10.016 1.00 0.00 C ATOM 1106 OD1 ASP A 72 14.333 -0.647 10.010 1.00 0.00 O ATOM 1107 OD2 ASP A 72 12.473 -1.423 10.772 1.00 0.00 O ATOM 0 H ASP A 72 13.271 -0.785 7.389 1.00 0.00 H new ATOM 0 HA ASP A 72 15.511 -2.082 8.460 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.532 -2.749 8.533 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.728 -3.547 9.535 1.00 0.00 H new ATOM 1112 N LEU A 73 13.924 -3.744 6.101 1.00 0.00 N ATOM 1113 CA LEU A 73 14.030 -4.895 5.210 1.00 0.00 C ATOM 1114 C LEU A 73 15.375 -4.899 4.492 1.00 0.00 C ATOM 1115 O LEU A 73 15.980 -5.952 4.296 1.00 0.00 O ATOM 1116 CB LEU A 73 12.906 -4.860 4.173 1.00 0.00 C ATOM 1117 CG LEU A 73 11.551 -4.952 4.877 1.00 0.00 C ATOM 1118 CD1 LEU A 73 10.432 -4.840 3.841 1.00 0.00 C ATOM 1119 CD2 LEU A 73 11.443 -6.298 5.597 1.00 0.00 C ATOM 0 H LEU A 73 13.153 -3.111 5.889 1.00 0.00 H new ATOM 0 HA LEU A 73 13.946 -5.800 5.812 1.00 0.00 H new ATOM 0 HB2 LEU A 73 12.963 -3.940 3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 73 13.019 -5.687 3.472 1.00 0.00 H new ATOM 0 HG LEU A 73 11.461 -4.142 5.601 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.466 -4.905 4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.509 -3.884 3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.522 -5.651 3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.478 -6.366 6.099 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.532 -7.107 4.872 1.00 0.00 H new ATOM 0 HD23 LEU A 73 12.242 -6.382 6.334 1.00 0.00 H new ATOM 1131 N VAL A 74 15.834 -3.717 4.098 1.00 0.00 N ATOM 1132 CA VAL A 74 17.106 -3.598 3.395 1.00 0.00 C ATOM 1133 C VAL A 74 18.260 -4.058 4.281 1.00 0.00 C ATOM 1134 O VAL A 74 19.165 -4.757 3.824 1.00 0.00 O ATOM 1135 CB VAL A 74 17.332 -2.146 2.969 1.00 0.00 C ATOM 1136 CG1 VAL A 74 18.733 -1.999 2.374 1.00 0.00 C ATOM 1137 CG2 VAL A 74 16.290 -1.755 1.919 1.00 0.00 C ATOM 0 H VAL A 74 15.349 -2.833 4.252 1.00 0.00 H new ATOM 0 HA VAL A 74 17.070 -4.235 2.512 1.00 0.00 H new ATOM 0 HB VAL A 74 17.237 -1.495 3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.893 -0.964 2.071 1.00 0.00 H new ATOM 0 HG12 VAL A 74 19.477 -2.277 3.121 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.830 -2.651 1.506 1.00 0.00 H new ATOM 0 HG21 VAL A 74 16.450 -0.721 1.615 1.00 0.00 H new ATOM 0 HG22 VAL A 74 16.386 -2.407 1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 74 15.291 -1.858 2.342 1.00 0.00 H new ATOM 1147 N GLU A 75 18.225 -3.659 5.548 1.00 0.00 N ATOM 1148 CA GLU A 75 19.278 -4.035 6.485 1.00 0.00 C ATOM 1149 C GLU A 75 19.310 -5.548 6.687 1.00 0.00 C ATOM 1150 O GLU A 75 20.378 -6.140 6.842 1.00 0.00 O ATOM 1151 CB GLU A 75 19.048 -3.346 7.832 1.00 0.00 C ATOM 1152 CG GLU A 75 19.198 -1.832 7.667 1.00 0.00 C ATOM 1153 CD GLU A 75 20.624 -1.491 7.248 1.00 0.00 C ATOM 1154 OE1 GLU A 75 21.491 -2.330 7.431 1.00 0.00 O ATOM 1155 OE2 GLU A 75 20.829 -0.396 6.751 1.00 0.00 O ATOM 0 H GLU A 75 17.486 -3.080 5.947 1.00 0.00 H new ATOM 0 HA GLU A 75 20.234 -3.717 6.069 1.00 0.00 H new ATOM 0 HB2 GLU A 75 18.053 -3.584 8.208 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.763 -3.714 8.567 1.00 0.00 H new ATOM 0 HG2 GLU A 75 18.494 -1.468 6.919 1.00 0.00 H new ATOM 0 HG3 GLU A 75 18.956 -1.330 8.604 1.00 0.00 H new ATOM 1162 N ASN A 76 18.134 -6.167 6.688 1.00 0.00 N ATOM 1163 CA ASN A 76 18.044 -7.610 6.877 1.00 0.00 C ATOM 1164 C ASN A 76 18.102 -8.342 5.539 1.00 0.00 C ATOM 1165 O ASN A 76 19.000 -9.148 5.300 1.00 0.00 O ATOM 1166 CB ASN A 76 16.740 -7.960 7.596 1.00 0.00 C ATOM 1167 CG ASN A 76 16.731 -7.344 8.990 1.00 0.00 C ATOM 1168 OD1 ASN A 76 17.782 -6.969 9.512 1.00 0.00 O ATOM 1169 ND2 ASN A 76 15.600 -7.215 9.629 1.00 0.00 N ATOM 0 H ASN A 76 17.238 -5.697 6.561 1.00 0.00 H new ATOM 0 HA ASN A 76 18.893 -7.927 7.482 1.00 0.00 H new ATOM 0 HB2 ASN A 76 15.889 -7.593 7.022 1.00 0.00 H new ATOM 0 HB3 ASN A 76 16.634 -9.042 7.667 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.585 -6.803 10.562 1.00 0.00 H new ATOM 0 HD22 ASN A 76 14.731 -7.526 9.195 1.00 0.00 H new ATOM 1176 N ALA A 77 17.133 -8.060 4.674 1.00 0.00 N ATOM 1177 CA ALA A 77 17.078 -8.703 3.366 1.00 0.00 C ATOM 1178 C ALA A 77 17.396 -7.708 2.255 1.00 0.00 C ATOM 1179 O ALA A 77 17.097 -6.520 2.367 1.00 0.00 O ATOM 1180 CB ALA A 77 15.686 -9.293 3.139 1.00 0.00 C ATOM 0 H ALA A 77 16.380 -7.395 4.853 1.00 0.00 H new ATOM 0 HA ALA A 77 17.824 -9.497 3.344 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.649 -9.772 2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 77 15.473 -10.030 3.913 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.942 -8.497 3.181 1.00 0.00 H new ATOM 1186 N GLY A 78 18.000 -8.204 1.180 1.00 0.00 N ATOM 1187 CA GLY A 78 18.347 -7.350 0.050 1.00 0.00 C ATOM 1188 C GLY A 78 17.194 -7.274 -0.943 1.00 0.00 C ATOM 1189 O GLY A 78 16.933 -8.226 -1.680 1.00 0.00 O ATOM 0 H GLY A 78 18.258 -9.185 1.068 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.593 -6.350 0.406 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.236 -7.739 -0.447 1.00 0.00 H new ATOM 1193 N LEU A 79 16.506 -6.137 -0.959 1.00 0.00 N ATOM 1194 CA LEU A 79 15.381 -5.949 -1.868 1.00 0.00 C ATOM 1195 C LEU A 79 15.790 -5.083 -3.054 1.00 0.00 C ATOM 1196 O LEU A 79 16.434 -4.048 -2.887 1.00 0.00 O ATOM 1197 CB LEU A 79 14.213 -5.290 -1.130 1.00 0.00 C ATOM 1198 CG LEU A 79 12.991 -5.236 -2.051 1.00 0.00 C ATOM 1199 CD1 LEU A 79 12.471 -6.654 -2.305 1.00 0.00 C ATOM 1200 CD2 LEU A 79 11.891 -4.406 -1.385 1.00 0.00 C ATOM 0 H LEU A 79 16.705 -5.337 -0.358 1.00 0.00 H new ATOM 0 HA LEU A 79 15.070 -6.927 -2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.976 -5.852 -0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.489 -4.284 -0.816 1.00 0.00 H new ATOM 0 HG LEU A 79 13.274 -4.780 -3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.601 -6.611 -2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 79 13.253 -7.249 -2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 79 12.188 -7.113 -1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 79 11.020 -4.366 -2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.612 -4.865 -0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.257 -3.395 -1.205 1.00 0.00 H new ATOM 1212 N THR A 80 15.413 -5.516 -4.253 1.00 0.00 N ATOM 1213 CA THR A 80 15.746 -4.774 -5.461 1.00 0.00 C ATOM 1214 C THR A 80 14.481 -4.360 -6.210 1.00 0.00 C ATOM 1215 O THR A 80 13.396 -4.885 -5.956 1.00 0.00 O ATOM 1216 CB THR A 80 16.636 -5.628 -6.367 1.00 0.00 C ATOM 1217 OG1 THR A 80 15.917 -6.778 -6.784 1.00 0.00 O ATOM 1218 CG2 THR A 80 17.887 -6.057 -5.598 1.00 0.00 C ATOM 0 H THR A 80 14.880 -6.371 -4.412 1.00 0.00 H new ATOM 0 HA THR A 80 16.285 -3.871 -5.174 1.00 0.00 H new ATOM 0 HB THR A 80 16.931 -5.047 -7.241 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.067 -6.826 -6.299 1.00 0.00 H new ATOM 0 HG21 THR A 80 18.520 -6.665 -6.244 1.00 0.00 H new ATOM 0 HG22 THR A 80 18.438 -5.173 -5.278 1.00 0.00 H new ATOM 0 HG23 THR A 80 17.595 -6.639 -4.724 1.00 0.00 H new ATOM 1226 N ASP A 81 14.630 -3.404 -7.121 1.00 0.00 N ATOM 1227 CA ASP A 81 13.500 -2.901 -7.897 1.00 0.00 C ATOM 1228 C ASP A 81 12.801 -4.014 -8.677 1.00 0.00 C ATOM 1229 O ASP A 81 11.580 -3.998 -8.828 1.00 0.00 O ATOM 1230 CB ASP A 81 13.981 -1.825 -8.870 1.00 0.00 C ATOM 1231 CG ASP A 81 14.428 -0.589 -8.098 1.00 0.00 C ATOM 1232 OD1 ASP A 81 14.041 -0.465 -6.947 1.00 0.00 O ATOM 1233 OD2 ASP A 81 15.149 0.213 -8.665 1.00 0.00 O ATOM 0 H ASP A 81 15.522 -2.961 -7.341 1.00 0.00 H new ATOM 0 HA ASP A 81 12.780 -2.480 -7.195 1.00 0.00 H new ATOM 0 HB2 ASP A 81 14.807 -2.208 -9.470 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.180 -1.563 -9.561 1.00 0.00 H new ATOM 1238 N VAL A 82 13.574 -4.970 -9.185 1.00 0.00 N ATOM 1239 CA VAL A 82 12.995 -6.063 -9.961 1.00 0.00 C ATOM 1240 C VAL A 82 11.870 -6.743 -9.185 1.00 0.00 C ATOM 1241 O VAL A 82 10.858 -7.138 -9.764 1.00 0.00 O ATOM 1242 CB VAL A 82 14.072 -7.091 -10.316 1.00 0.00 C ATOM 1243 CG1 VAL A 82 14.320 -8.015 -9.124 1.00 0.00 C ATOM 1244 CG2 VAL A 82 13.606 -7.921 -11.513 1.00 0.00 C ATOM 0 H VAL A 82 14.587 -5.011 -9.076 1.00 0.00 H new ATOM 0 HA VAL A 82 12.582 -5.644 -10.879 1.00 0.00 H new ATOM 0 HB VAL A 82 14.997 -6.571 -10.566 1.00 0.00 H new ATOM 0 HG11 VAL A 82 15.087 -8.745 -9.383 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.653 -7.425 -8.270 1.00 0.00 H new ATOM 0 HG13 VAL A 82 13.397 -8.535 -8.868 1.00 0.00 H new ATOM 0 HG21 VAL A 82 14.372 -8.654 -11.768 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.680 -8.437 -11.260 1.00 0.00 H new ATOM 0 HG23 VAL A 82 13.434 -7.265 -12.366 1.00 0.00 H new ATOM 1254 N HIS A 83 12.047 -6.876 -7.875 1.00 0.00 N ATOM 1255 CA HIS A 83 11.031 -7.507 -7.040 1.00 0.00 C ATOM 1256 C HIS A 83 9.702 -6.771 -7.169 1.00 0.00 C ATOM 1257 O HIS A 83 8.643 -7.391 -7.256 1.00 0.00 O ATOM 1258 CB HIS A 83 11.481 -7.506 -5.577 1.00 0.00 C ATOM 1259 CG HIS A 83 12.683 -8.397 -5.421 1.00 0.00 C ATOM 1260 ND1 HIS A 83 13.979 -7.910 -5.498 1.00 0.00 N ATOM 1261 CD2 HIS A 83 12.802 -9.746 -5.192 1.00 0.00 C ATOM 1262 CE1 HIS A 83 14.814 -8.949 -5.320 1.00 0.00 C ATOM 1263 NE2 HIS A 83 14.149 -10.092 -5.129 1.00 0.00 N ATOM 0 H HIS A 83 12.876 -6.559 -7.372 1.00 0.00 H new ATOM 0 HA HIS A 83 10.898 -8.535 -7.375 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.724 -6.491 -5.261 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.671 -7.855 -4.936 1.00 0.00 H new ATOM 0 HD2 HIS A 83 11.977 -10.433 -5.078 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.891 -8.869 -5.330 1.00 0.00 H new ATOM 0 HE2 HIS A 83 14.544 -11.019 -4.971 1.00 0.00 H new ATOM 1271 N PHE A 84 9.768 -5.443 -7.184 1.00 0.00 N ATOM 1272 CA PHE A 84 8.565 -4.628 -7.307 1.00 0.00 C ATOM 1273 C PHE A 84 7.823 -4.965 -8.596 1.00 0.00 C ATOM 1274 O PHE A 84 6.601 -5.112 -8.604 1.00 0.00 O ATOM 1275 CB PHE A 84 8.943 -3.145 -7.305 1.00 0.00 C ATOM 1276 CG PHE A 84 7.691 -2.302 -7.285 1.00 0.00 C ATOM 1277 CD1 PHE A 84 7.064 -2.011 -6.068 1.00 0.00 C ATOM 1278 CD2 PHE A 84 7.159 -1.807 -8.482 1.00 0.00 C ATOM 1279 CE1 PHE A 84 5.905 -1.226 -6.047 1.00 0.00 C ATOM 1280 CE2 PHE A 84 5.999 -1.023 -8.461 1.00 0.00 C ATOM 1281 CZ PHE A 84 5.372 -0.733 -7.244 1.00 0.00 C ATOM 0 H PHE A 84 10.636 -4.912 -7.113 1.00 0.00 H new ATOM 0 HA PHE A 84 7.912 -4.839 -6.460 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.560 -2.918 -6.436 1.00 0.00 H new ATOM 0 HB3 PHE A 84 9.537 -2.910 -8.188 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.474 -2.392 -5.145 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.643 -2.030 -9.421 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.422 -1.001 -5.108 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.588 -0.642 -9.384 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.477 -0.129 -7.228 1.00 0.00 H new ATOM 1291 N ASP A 85 8.574 -5.084 -9.686 1.00 0.00 N ATOM 1292 CA ASP A 85 7.983 -5.406 -10.979 1.00 0.00 C ATOM 1293 C ASP A 85 7.322 -6.781 -10.946 1.00 0.00 C ATOM 1294 O ASP A 85 6.294 -7.002 -11.587 1.00 0.00 O ATOM 1295 CB ASP A 85 9.059 -5.381 -12.065 1.00 0.00 C ATOM 1296 CG ASP A 85 8.415 -5.503 -13.441 1.00 0.00 C ATOM 1297 OD1 ASP A 85 7.196 -5.498 -13.506 1.00 0.00 O ATOM 1298 OD2 ASP A 85 9.149 -5.601 -14.411 1.00 0.00 O ATOM 0 H ASP A 85 9.587 -4.963 -9.700 1.00 0.00 H new ATOM 0 HA ASP A 85 7.222 -4.659 -11.202 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.629 -4.454 -12.002 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.763 -6.199 -11.910 1.00 0.00 H new ATOM 1303 N ALA A 86 7.927 -7.708 -10.207 1.00 0.00 N ATOM 1304 CA ALA A 86 7.395 -9.063 -10.112 1.00 0.00 C ATOM 1305 C ALA A 86 6.030 -9.077 -9.430 1.00 0.00 C ATOM 1306 O ALA A 86 5.043 -9.530 -10.011 1.00 0.00 O ATOM 1307 CB ALA A 86 8.365 -9.946 -9.326 1.00 0.00 C ATOM 0 H ALA A 86 8.779 -7.547 -9.670 1.00 0.00 H new ATOM 0 HA ALA A 86 7.277 -9.450 -11.124 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.963 -10.957 -9.258 1.00 0.00 H new ATOM 0 HB2 ALA A 86 9.328 -9.972 -9.836 1.00 0.00 H new ATOM 0 HB3 ALA A 86 8.496 -9.539 -8.323 1.00 0.00 H new ATOM 1313 N ILE A 87 5.976 -8.584 -8.196 1.00 0.00 N ATOM 1314 CA ILE A 87 4.719 -8.557 -7.457 1.00 0.00 C ATOM 1315 C ILE A 87 3.695 -7.678 -8.168 1.00 0.00 C ATOM 1316 O ILE A 87 2.490 -7.918 -8.083 1.00 0.00 O ATOM 1317 CB ILE A 87 4.954 -8.041 -6.033 1.00 0.00 C ATOM 1318 CG1 ILE A 87 3.708 -8.303 -5.183 1.00 0.00 C ATOM 1319 CG2 ILE A 87 5.239 -6.538 -6.066 1.00 0.00 C ATOM 1320 CD1 ILE A 87 4.049 -8.115 -3.704 1.00 0.00 C ATOM 0 H ILE A 87 6.777 -8.203 -7.692 1.00 0.00 H new ATOM 0 HA ILE A 87 4.328 -9.573 -7.407 1.00 0.00 H new ATOM 0 HB ILE A 87 5.809 -8.560 -5.600 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.908 -7.621 -5.472 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.343 -9.315 -5.357 1.00 0.00 H new ATOM 0 HG21 ILE A 87 5.405 -6.177 -5.051 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.128 -6.349 -6.668 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.387 -6.016 -6.502 1.00 0.00 H new ATOM 0 HD11 ILE A 87 3.161 -8.302 -3.099 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.835 -8.815 -3.420 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.394 -7.095 -3.537 1.00 0.00 H new ATOM 1332 N ALA A 88 4.181 -6.662 -8.873 1.00 0.00 N ATOM 1333 CA ALA A 88 3.296 -5.759 -9.597 1.00 0.00 C ATOM 1334 C ALA A 88 2.563 -6.507 -10.706 1.00 0.00 C ATOM 1335 O ALA A 88 1.376 -6.278 -10.945 1.00 0.00 O ATOM 1336 CB ALA A 88 4.102 -4.609 -10.202 1.00 0.00 C ATOM 0 H ALA A 88 5.174 -6.445 -8.958 1.00 0.00 H new ATOM 0 HA ALA A 88 2.564 -5.358 -8.896 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.432 -3.939 -10.741 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.603 -4.058 -9.406 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.846 -5.009 -10.890 1.00 0.00 H new ATOM 1342 N GLU A 89 3.277 -7.403 -11.379 1.00 0.00 N ATOM 1343 CA GLU A 89 2.684 -8.181 -12.459 1.00 0.00 C ATOM 1344 C GLU A 89 1.537 -9.037 -11.934 1.00 0.00 C ATOM 1345 O GLU A 89 0.529 -9.228 -12.616 1.00 0.00 O ATOM 1346 CB GLU A 89 3.743 -9.082 -13.098 1.00 0.00 C ATOM 1347 CG GLU A 89 3.146 -9.788 -14.316 1.00 0.00 C ATOM 1348 CD GLU A 89 4.159 -10.766 -14.901 1.00 0.00 C ATOM 1349 OE1 GLU A 89 5.239 -10.874 -14.343 1.00 0.00 O ATOM 1350 OE2 GLU A 89 3.839 -11.393 -15.898 1.00 0.00 O ATOM 0 H GLU A 89 4.260 -7.607 -11.197 1.00 0.00 H new ATOM 0 HA GLU A 89 2.296 -7.490 -13.207 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.608 -8.489 -13.396 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.094 -9.817 -12.374 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.238 -10.320 -14.030 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.861 -9.053 -15.069 1.00 0.00 H new ATOM 1357 N ASN A 90 1.697 -9.551 -10.719 1.00 0.00 N ATOM 1358 CA ASN A 90 0.667 -10.386 -10.113 1.00 0.00 C ATOM 1359 C ASN A 90 -0.651 -9.626 -10.018 1.00 0.00 C ATOM 1360 O ASN A 90 -1.723 -10.196 -10.221 1.00 0.00 O ATOM 1361 CB ASN A 90 1.108 -10.824 -8.715 1.00 0.00 C ATOM 1362 CG ASN A 90 2.339 -11.720 -8.813 1.00 0.00 C ATOM 1363 OD1 ASN A 90 2.636 -12.252 -9.883 1.00 0.00 O ATOM 1364 ND2 ASN A 90 3.074 -11.920 -7.754 1.00 0.00 N ATOM 0 H ASN A 90 2.523 -9.406 -10.139 1.00 0.00 H new ATOM 0 HA ASN A 90 0.521 -11.265 -10.741 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.332 -9.949 -8.105 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.297 -11.359 -8.220 1.00 0.00 H new ATOM 0 HD21 ASN A 90 3.898 -12.519 -7.811 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.825 -11.478 -6.869 1.00 0.00 H new ATOM 1371 N LEU A 91 -0.565 -8.337 -9.707 1.00 0.00 N ATOM 1372 CA LEU A 91 -1.760 -7.510 -9.589 1.00 0.00 C ATOM 1373 C LEU A 91 -2.514 -7.469 -10.913 1.00 0.00 C ATOM 1374 O LEU A 91 -3.745 -7.507 -10.938 1.00 0.00 O ATOM 1375 CB LEU A 91 -1.374 -6.088 -9.172 1.00 0.00 C ATOM 1376 CG LEU A 91 -2.639 -5.261 -8.927 1.00 0.00 C ATOM 1377 CD1 LEU A 91 -3.374 -5.796 -7.695 1.00 0.00 C ATOM 1378 CD2 LEU A 91 -2.251 -3.799 -8.690 1.00 0.00 C ATOM 0 H LEU A 91 0.312 -7.846 -9.533 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.408 -7.946 -8.829 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.766 -6.116 -8.268 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.768 -5.622 -9.949 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.292 -5.332 -9.797 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.274 -5.205 -7.523 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.650 -6.838 -7.860 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.723 -5.726 -6.824 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.150 -3.208 -8.515 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.598 -3.732 -7.820 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.729 -3.415 -9.566 1.00 0.00 H new ATOM 1390 N VAL A 92 -1.771 -7.393 -12.011 1.00 0.00 N ATOM 1391 CA VAL A 92 -2.385 -7.350 -13.332 1.00 0.00 C ATOM 1392 C VAL A 92 -3.147 -8.640 -13.614 1.00 0.00 C ATOM 1393 O VAL A 92 -4.259 -8.614 -14.140 1.00 0.00 O ATOM 1394 CB VAL A 92 -1.310 -7.149 -14.401 1.00 0.00 C ATOM 1395 CG1 VAL A 92 -1.939 -7.276 -15.790 1.00 0.00 C ATOM 1396 CG2 VAL A 92 -0.692 -5.758 -14.248 1.00 0.00 C ATOM 0 H VAL A 92 -0.752 -7.360 -12.013 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.085 -6.515 -13.357 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.536 -7.907 -14.282 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.172 -7.133 -16.551 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.379 -8.267 -15.901 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.714 -6.519 -15.909 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.074 -5.615 -15.010 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.467 -5.001 -14.366 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.242 -5.666 -13.259 1.00 0.00 H new ATOM 1406 N LEU A 93 -2.540 -9.769 -13.260 1.00 0.00 N ATOM 1407 CA LEU A 93 -3.170 -11.066 -13.480 1.00 0.00 C ATOM 1408 C LEU A 93 -4.451 -11.190 -12.664 1.00 0.00 C ATOM 1409 O LEU A 93 -5.429 -11.788 -13.113 1.00 0.00 O ATOM 1410 CB LEU A 93 -2.204 -12.187 -13.088 1.00 0.00 C ATOM 1411 CG LEU A 93 -0.902 -12.047 -13.881 1.00 0.00 C ATOM 1412 CD1 LEU A 93 0.036 -13.204 -13.531 1.00 0.00 C ATOM 1413 CD2 LEU A 93 -1.209 -12.080 -15.381 1.00 0.00 C ATOM 0 H LEU A 93 -1.619 -9.812 -12.823 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.420 -11.151 -14.538 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.996 -12.144 -12.019 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.659 -13.158 -13.285 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.425 -11.100 -13.628 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.963 -13.104 -14.096 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.257 -13.183 -12.464 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.443 -14.150 -13.784 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.281 -11.980 -15.945 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.687 -13.026 -15.634 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.877 -11.257 -15.634 1.00 0.00 H new ATOM 1425 N THR A 94 -4.440 -10.625 -11.460 1.00 0.00 N ATOM 1426 CA THR A 94 -5.610 -10.684 -10.590 1.00 0.00 C ATOM 1427 C THR A 94 -6.819 -10.047 -11.267 1.00 0.00 C ATOM 1428 O THR A 94 -7.931 -10.569 -11.191 1.00 0.00 O ATOM 1429 CB THR A 94 -5.318 -9.960 -9.275 1.00 0.00 C ATOM 1430 OG1 THR A 94 -4.145 -10.502 -8.687 1.00 0.00 O ATOM 1431 CG2 THR A 94 -6.500 -10.138 -8.319 1.00 0.00 C ATOM 0 H THR A 94 -3.642 -10.126 -11.067 1.00 0.00 H new ATOM 0 HA THR A 94 -5.835 -11.731 -10.387 1.00 0.00 H new ATOM 0 HB THR A 94 -5.168 -8.898 -9.471 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.360 -10.214 -9.198 1.00 0.00 H new ATOM 0 HG21 THR A 94 -6.291 -9.622 -7.382 1.00 0.00 H new ATOM 0 HG22 THR A 94 -7.400 -9.720 -8.771 1.00 0.00 H new ATOM 0 HG23 THR A 94 -6.652 -11.199 -8.122 1.00 0.00 H new ATOM 1439 N LEU A 95 -6.594 -8.916 -11.927 1.00 0.00 N ATOM 1440 CA LEU A 95 -7.674 -8.216 -12.612 1.00 0.00 C ATOM 1441 C LEU A 95 -8.252 -9.082 -13.729 1.00 0.00 C ATOM 1442 O LEU A 95 -9.454 -9.053 -13.991 1.00 0.00 O ATOM 1443 CB LEU A 95 -7.156 -6.900 -13.197 1.00 0.00 C ATOM 1444 CG LEU A 95 -6.561 -6.039 -12.079 1.00 0.00 C ATOM 1445 CD1 LEU A 95 -6.098 -4.701 -12.658 1.00 0.00 C ATOM 1446 CD2 LEU A 95 -7.624 -5.783 -11.007 1.00 0.00 C ATOM 0 H LEU A 95 -5.681 -8.467 -12.002 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.461 -8.005 -11.888 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.400 -7.101 -13.956 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.968 -6.365 -13.689 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.713 -6.560 -11.635 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.674 -4.088 -11.863 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.341 -4.878 -13.422 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.948 -4.183 -13.102 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.199 -5.170 -10.212 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.472 -5.263 -11.452 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.959 -6.734 -10.592 1.00 0.00 H new ATOM 1458 N GLN A 96 -7.387 -9.851 -14.384 1.00 0.00 N ATOM 1459 CA GLN A 96 -7.825 -10.720 -15.471 1.00 0.00 C ATOM 1460 C GLN A 96 -8.861 -11.721 -14.970 1.00 0.00 C ATOM 1461 O GLN A 96 -9.803 -12.066 -15.684 1.00 0.00 O ATOM 1462 CB GLN A 96 -6.626 -11.472 -16.054 1.00 0.00 C ATOM 1463 CG GLN A 96 -5.615 -10.469 -16.617 1.00 0.00 C ATOM 1464 CD GLN A 96 -6.202 -9.755 -17.829 1.00 0.00 C ATOM 1465 OE1 GLN A 96 -7.016 -8.844 -17.682 1.00 0.00 O ATOM 1466 NE2 GLN A 96 -5.836 -10.117 -19.028 1.00 0.00 N ATOM 0 H GLN A 96 -6.388 -9.890 -14.183 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.278 -10.102 -16.246 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -6.157 -12.083 -15.283 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.957 -12.151 -16.840 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.348 -9.741 -15.851 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.698 -10.986 -16.899 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -5.161 -10.872 -19.149 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.225 -9.645 -19.844 1.00 0.00 H new ATOM 1475 N GLU A 97 -8.680 -12.184 -13.738 1.00 0.00 N ATOM 1476 CA GLU A 97 -9.606 -13.144 -13.147 1.00 0.00 C ATOM 1477 C GLU A 97 -10.998 -12.534 -13.016 1.00 0.00 C ATOM 1478 O GLU A 97 -12.005 -13.237 -13.099 1.00 0.00 O ATOM 1479 CB GLU A 97 -9.102 -13.572 -11.767 1.00 0.00 C ATOM 1480 CG GLU A 97 -7.773 -14.314 -11.916 1.00 0.00 C ATOM 1481 CD GLU A 97 -7.293 -14.804 -10.553 1.00 0.00 C ATOM 1482 OE1 GLU A 97 -7.891 -14.416 -9.563 1.00 0.00 O ATOM 1483 OE2 GLU A 97 -6.334 -15.557 -10.521 1.00 0.00 O ATOM 0 H GLU A 97 -7.906 -11.912 -13.132 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.664 -14.015 -13.799 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.973 -12.698 -11.128 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -9.837 -14.215 -11.283 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.893 -15.159 -12.594 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.026 -13.654 -12.358 1.00 0.00 H new ATOM 1490 N LEU A 98 -11.044 -11.222 -12.810 1.00 0.00 N ATOM 1491 CA LEU A 98 -12.317 -10.524 -12.665 1.00 0.00 C ATOM 1492 C LEU A 98 -12.921 -10.217 -14.031 1.00 0.00 C ATOM 1493 O LEU A 98 -13.986 -9.606 -14.124 1.00 0.00 O ATOM 1494 CB LEU A 98 -12.110 -9.219 -11.891 1.00 0.00 C ATOM 1495 CG LEU A 98 -11.425 -9.517 -10.555 1.00 0.00 C ATOM 1496 CD1 LEU A 98 -11.301 -8.225 -9.746 1.00 0.00 C ATOM 1497 CD2 LEU A 98 -12.257 -10.531 -9.767 1.00 0.00 C ATOM 0 H LEU A 98 -10.221 -10.624 -12.740 1.00 0.00 H new ATOM 0 HA LEU A 98 -13.003 -11.169 -12.116 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.502 -8.529 -12.477 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -13.069 -8.731 -11.718 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.433 -9.928 -10.742 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.813 -8.437 -8.795 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.708 -7.501 -10.305 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.294 -7.815 -9.561 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.768 -10.742 -8.816 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -13.250 -10.121 -9.581 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -12.347 -11.453 -10.342 1.00 0.00 H new ATOM 1509 N ASN A 99 -12.236 -10.641 -15.087 1.00 0.00 N ATOM 1510 CA ASN A 99 -12.720 -10.401 -16.443 1.00 0.00 C ATOM 1511 C ASN A 99 -12.821 -8.905 -16.718 1.00 0.00 C ATOM 1512 O ASN A 99 -13.851 -8.415 -17.182 1.00 0.00 O ATOM 1513 CB ASN A 99 -14.092 -11.050 -16.630 1.00 0.00 C ATOM 1514 CG ASN A 99 -14.400 -11.200 -18.116 1.00 0.00 C ATOM 1515 OD1 ASN A 99 -13.561 -10.883 -18.959 1.00 0.00 O ATOM 1516 ND2 ASN A 99 -15.562 -11.665 -18.489 1.00 0.00 N ATOM 0 H ASN A 99 -11.352 -11.148 -15.033 1.00 0.00 H new ATOM 0 HA ASN A 99 -12.012 -10.841 -17.145 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -14.110 -12.026 -16.146 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -14.859 -10.442 -16.151 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -15.776 -11.766 -19.481 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -16.255 -11.927 -17.788 1.00 0.00 H new ATOM 1523 N VAL A 100 -11.743 -8.183 -16.427 1.00 0.00 N ATOM 1524 CA VAL A 100 -11.716 -6.741 -16.644 1.00 0.00 C ATOM 1525 C VAL A 100 -10.920 -6.406 -17.902 1.00 0.00 C ATOM 1526 O VAL A 100 -9.873 -7.001 -18.161 1.00 0.00 O ATOM 1527 CB VAL A 100 -11.089 -6.042 -15.436 1.00 0.00 C ATOM 1528 CG1 VAL A 100 -11.142 -4.527 -15.637 1.00 0.00 C ATOM 1529 CG2 VAL A 100 -11.866 -6.413 -14.170 1.00 0.00 C ATOM 0 H VAL A 100 -10.881 -8.570 -16.042 1.00 0.00 H new ATOM 0 HA VAL A 100 -12.740 -6.391 -16.772 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.051 -6.360 -15.333 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.695 -4.030 -14.776 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -10.589 -4.260 -16.538 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -12.180 -4.210 -15.741 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -11.419 -5.915 -13.310 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -12.904 -6.096 -14.274 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -11.829 -7.493 -14.024 1.00 0.00 H new ATOM 1539 N SER A 101 -11.425 -5.455 -18.682 1.00 0.00 N ATOM 1540 CA SER A 101 -10.753 -5.056 -19.914 1.00 0.00 C ATOM 1541 C SER A 101 -9.310 -4.649 -19.635 1.00 0.00 C ATOM 1542 O SER A 101 -9.017 -4.008 -18.625 1.00 0.00 O ATOM 1543 CB SER A 101 -11.499 -3.889 -20.561 1.00 0.00 C ATOM 1544 OG SER A 101 -10.884 -3.568 -21.801 1.00 0.00 O ATOM 0 H SER A 101 -12.289 -4.950 -18.486 1.00 0.00 H new ATOM 0 HA SER A 101 -10.750 -5.908 -20.594 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.545 -4.153 -20.718 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.485 -3.022 -19.900 1.00 0.00 H new ATOM 0 HG SER A 101 -11.361 -2.821 -22.219 1.00 0.00 H new ATOM 1550 N GLN A 102 -8.413 -5.032 -20.537 1.00 0.00 N ATOM 1551 CA GLN A 102 -6.997 -4.714 -20.388 1.00 0.00 C ATOM 1552 C GLN A 102 -6.777 -3.205 -20.313 1.00 0.00 C ATOM 1553 O GLN A 102 -5.904 -2.735 -19.583 1.00 0.00 O ATOM 1554 CB GLN A 102 -6.210 -5.284 -21.571 1.00 0.00 C ATOM 1555 CG GLN A 102 -4.710 -5.168 -21.294 1.00 0.00 C ATOM 1556 CD GLN A 102 -4.271 -6.258 -20.322 1.00 0.00 C ATOM 1557 OE1 GLN A 102 -5.170 -6.986 -19.722 1.00 0.00 O flip ATOM 1558 NE2 GLN A 102 -3.074 -6.455 -20.109 1.00 0.00 N flip ATOM 0 H GLN A 102 -8.640 -5.562 -21.378 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.645 -5.162 -19.459 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -6.481 -6.328 -21.732 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -6.464 -4.745 -22.483 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.152 -5.255 -22.226 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -4.484 -4.186 -20.878 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -2.372 -5.884 -20.579 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -2.785 -7.189 -19.462 1.00 0.00 H new ATOM 1567 N ASP A 103 -7.560 -2.452 -21.077 1.00 0.00 N ATOM 1568 CA ASP A 103 -7.422 -0.999 -21.090 1.00 0.00 C ATOM 1569 C ASP A 103 -7.554 -0.429 -19.681 1.00 0.00 C ATOM 1570 O ASP A 103 -6.786 0.447 -19.282 1.00 0.00 O ATOM 1571 CB ASP A 103 -8.491 -0.382 -21.992 1.00 0.00 C ATOM 1572 CG ASP A 103 -8.233 -0.769 -23.445 1.00 0.00 C ATOM 1573 OD1 ASP A 103 -7.157 -1.273 -23.721 1.00 0.00 O ATOM 1574 OD2 ASP A 103 -9.116 -0.556 -24.260 1.00 0.00 O ATOM 0 H ASP A 103 -8.289 -2.817 -21.689 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.432 -0.754 -21.475 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.479 -0.725 -21.686 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.484 0.703 -21.889 1.00 0.00 H new ATOM 1579 N LEU A 104 -8.524 -0.934 -18.927 1.00 0.00 N ATOM 1580 CA LEU A 104 -8.733 -0.464 -17.562 1.00 0.00 C ATOM 1581 C LEU A 104 -7.553 -0.858 -16.680 1.00 0.00 C ATOM 1582 O LEU A 104 -7.145 -0.102 -15.798 1.00 0.00 O ATOM 1583 CB LEU A 104 -10.023 -1.059 -16.992 1.00 0.00 C ATOM 1584 CG LEU A 104 -11.210 -0.653 -17.870 1.00 0.00 C ATOM 1585 CD1 LEU A 104 -12.499 -1.231 -17.283 1.00 0.00 C ATOM 1586 CD2 LEU A 104 -11.316 0.873 -17.913 1.00 0.00 C ATOM 0 H LEU A 104 -9.171 -1.660 -19.233 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.816 0.623 -17.579 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.945 -2.145 -16.948 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -10.177 -0.709 -15.971 1.00 0.00 H new ATOM 0 HG LEU A 104 -11.062 -1.038 -18.879 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.345 -0.942 -17.907 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -12.428 -2.318 -17.249 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.645 -0.845 -16.274 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -12.161 1.162 -18.538 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.464 1.256 -16.903 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.398 1.290 -18.328 1.00 0.00 H new ATOM 1598 N ILE A 105 -7.010 -2.045 -16.927 1.00 0.00 N ATOM 1599 CA ILE A 105 -5.875 -2.532 -16.152 1.00 0.00 C ATOM 1600 C ILE A 105 -4.681 -1.596 -16.304 1.00 0.00 C ATOM 1601 O ILE A 105 -3.963 -1.328 -15.341 1.00 0.00 O ATOM 1602 CB ILE A 105 -5.488 -3.936 -16.620 1.00 0.00 C ATOM 1603 CG1 ILE A 105 -6.673 -4.883 -16.423 1.00 0.00 C ATOM 1604 CG2 ILE A 105 -4.296 -4.438 -15.802 1.00 0.00 C ATOM 1605 CD1 ILE A 105 -6.335 -6.255 -17.010 1.00 0.00 C ATOM 0 H ILE A 105 -7.335 -2.684 -17.653 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.164 -2.566 -15.102 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.217 -3.904 -17.675 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.904 -4.977 -15.362 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.561 -4.477 -16.908 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.021 -5.438 -16.136 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.450 -3.764 -15.940 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.566 -4.470 -14.747 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.180 -6.929 -16.869 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.125 -6.154 -18.075 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.459 -6.661 -16.505 1.00 0.00 H new ATOM 1617 N ASP A 106 -4.473 -1.104 -17.521 1.00 0.00 N ATOM 1618 CA ASP A 106 -3.360 -0.199 -17.785 1.00 0.00 C ATOM 1619 C ASP A 106 -3.453 1.037 -16.897 1.00 0.00 C ATOM 1620 O ASP A 106 -2.443 1.523 -16.388 1.00 0.00 O ATOM 1621 CB ASP A 106 -3.370 0.225 -19.255 1.00 0.00 C ATOM 1622 CG ASP A 106 -3.058 -0.974 -20.145 1.00 0.00 C ATOM 1623 OD1 ASP A 106 -2.636 -1.987 -19.614 1.00 0.00 O ATOM 1624 OD2 ASP A 106 -3.247 -0.860 -21.345 1.00 0.00 O ATOM 0 H ASP A 106 -5.054 -1.314 -18.333 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.430 -0.722 -17.564 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.344 0.639 -19.516 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -2.635 1.012 -19.420 1.00 0.00 H new ATOM 1629 N GLU A 107 -4.670 1.538 -16.712 1.00 0.00 N ATOM 1630 CA GLU A 107 -4.878 2.716 -15.879 1.00 0.00 C ATOM 1631 C GLU A 107 -4.444 2.434 -14.444 1.00 0.00 C ATOM 1632 O GLU A 107 -3.894 3.305 -13.769 1.00 0.00 O ATOM 1633 CB GLU A 107 -6.354 3.118 -15.901 1.00 0.00 C ATOM 1634 CG GLU A 107 -6.537 4.439 -15.151 1.00 0.00 C ATOM 1635 CD GLU A 107 -5.884 5.575 -15.931 1.00 0.00 C ATOM 1636 OE1 GLU A 107 -5.747 5.438 -17.135 1.00 0.00 O ATOM 1637 OE2 GLU A 107 -5.530 6.565 -15.312 1.00 0.00 O ATOM 0 H GLU A 107 -5.519 1.151 -17.123 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.276 3.533 -16.276 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -6.698 3.222 -16.930 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -6.961 2.339 -15.439 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -7.599 4.645 -15.013 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -6.094 4.367 -14.158 1.00 0.00 H new ATOM 1644 N VAL A 108 -4.696 1.213 -13.985 1.00 0.00 N ATOM 1645 CA VAL A 108 -4.328 0.823 -12.630 1.00 0.00 C ATOM 1646 C VAL A 108 -2.813 0.862 -12.452 1.00 0.00 C ATOM 1647 O VAL A 108 -2.312 1.276 -11.407 1.00 0.00 O ATOM 1648 CB VAL A 108 -4.841 -0.586 -12.334 1.00 0.00 C ATOM 1649 CG1 VAL A 108 -4.312 -1.048 -10.975 1.00 0.00 C ATOM 1650 CG2 VAL A 108 -6.371 -0.577 -12.307 1.00 0.00 C ATOM 0 H VAL A 108 -5.151 0.480 -14.529 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.782 1.529 -11.935 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.494 -1.268 -13.110 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.678 -2.053 -10.764 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.222 -1.055 -10.992 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.658 -0.366 -10.199 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -6.737 -1.582 -12.096 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.717 0.106 -11.531 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.750 -0.249 -13.275 1.00 0.00 H new ATOM 1660 N VAL A 109 -2.092 0.426 -13.479 1.00 0.00 N ATOM 1661 CA VAL A 109 -0.635 0.412 -13.425 1.00 0.00 C ATOM 1662 C VAL A 109 -0.090 1.819 -13.201 1.00 0.00 C ATOM 1663 O VAL A 109 0.849 2.016 -12.430 1.00 0.00 O ATOM 1664 CB VAL A 109 -0.071 -0.152 -14.731 1.00 0.00 C ATOM 1665 CG1 VAL A 109 1.448 0.026 -14.750 1.00 0.00 C ATOM 1666 CG2 VAL A 109 -0.411 -1.641 -14.829 1.00 0.00 C ATOM 0 H VAL A 109 -2.489 0.080 -14.353 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.328 -0.220 -12.591 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.509 0.379 -15.576 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.850 -0.376 -15.680 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.691 1.086 -14.678 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.887 -0.505 -13.906 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -0.010 -2.045 -15.759 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.028 -2.171 -13.984 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.493 -1.769 -14.815 1.00 0.00 H new ATOM 1676 N THR A 110 -0.683 2.794 -13.882 1.00 0.00 N ATOM 1677 CA THR A 110 -0.247 4.179 -13.750 1.00 0.00 C ATOM 1678 C THR A 110 -0.393 4.661 -12.309 1.00 0.00 C ATOM 1679 O THR A 110 0.478 5.358 -11.787 1.00 0.00 O ATOM 1680 CB THR A 110 -1.071 5.077 -14.674 1.00 0.00 C ATOM 1681 OG1 THR A 110 -0.992 4.583 -16.004 1.00 0.00 O ATOM 1682 CG2 THR A 110 -0.525 6.504 -14.624 1.00 0.00 C ATOM 0 H THR A 110 -1.461 2.652 -14.526 1.00 0.00 H new ATOM 0 HA THR A 110 0.805 4.232 -14.031 1.00 0.00 H new ATOM 0 HB THR A 110 -2.111 5.078 -14.347 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.521 5.156 -16.598 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.114 7.142 -15.283 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.587 6.882 -13.603 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.515 6.507 -14.950 1.00 0.00 H new ATOM 1690 N ILE A 111 -1.500 4.292 -11.672 1.00 0.00 N ATOM 1691 CA ILE A 111 -1.747 4.700 -10.293 1.00 0.00 C ATOM 1692 C ILE A 111 -0.641 4.200 -9.371 1.00 0.00 C ATOM 1693 O ILE A 111 -0.069 4.969 -8.597 1.00 0.00 O ATOM 1694 CB ILE A 111 -3.093 4.150 -9.820 1.00 0.00 C ATOM 1695 CG1 ILE A 111 -4.210 4.700 -10.711 1.00 0.00 C ATOM 1696 CG2 ILE A 111 -3.340 4.579 -8.373 1.00 0.00 C ATOM 1697 CD1 ILE A 111 -5.539 4.048 -10.324 1.00 0.00 C ATOM 0 H ILE A 111 -2.234 3.716 -12.084 1.00 0.00 H new ATOM 0 HA ILE A 111 -1.763 5.789 -10.258 1.00 0.00 H new ATOM 0 HB ILE A 111 -3.081 3.062 -9.880 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -4.278 5.782 -10.601 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -3.986 4.500 -11.759 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.300 4.187 -8.036 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.545 4.189 -7.737 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.352 5.667 -8.313 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.335 4.439 -10.958 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -5.467 2.969 -10.457 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -5.764 4.271 -9.281 1.00 0.00 H new ATOM 1709 N VAL A 112 -0.343 2.907 -9.456 1.00 0.00 N ATOM 1710 CA VAL A 112 0.698 2.317 -8.622 1.00 0.00 C ATOM 1711 C VAL A 112 2.078 2.593 -9.209 1.00 0.00 C ATOM 1712 O VAL A 112 3.083 2.556 -8.500 1.00 0.00 O ATOM 1713 CB VAL A 112 0.482 0.808 -8.502 1.00 0.00 C ATOM 1714 CG1 VAL A 112 -0.920 0.534 -7.957 1.00 0.00 C ATOM 1715 CG2 VAL A 112 0.627 0.163 -9.881 1.00 0.00 C ATOM 0 H VAL A 112 -0.803 2.253 -10.089 1.00 0.00 H new ATOM 0 HA VAL A 112 0.642 2.769 -7.632 1.00 0.00 H new ATOM 0 HB VAL A 112 1.224 0.388 -7.823 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -1.073 -0.542 -7.872 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -1.025 0.995 -6.975 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -1.663 0.954 -8.636 1.00 0.00 H new ATOM 0 HG21 VAL A 112 0.473 -0.913 -9.797 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -0.115 0.584 -10.559 1.00 0.00 H new ATOM 0 HG23 VAL A 112 1.626 0.358 -10.270 1.00 0.00 H new ATOM 1725 N GLY A 113 2.119 2.863 -10.509 1.00 0.00 N ATOM 1726 CA GLY A 113 3.383 3.137 -11.182 1.00 0.00 C ATOM 1727 C GLY A 113 3.838 4.571 -10.935 1.00 0.00 C ATOM 1728 O GLY A 113 3.692 5.436 -11.799 1.00 0.00 O ATOM 0 H GLY A 113 1.298 2.898 -11.114 1.00 0.00 H new ATOM 0 HA2 GLY A 113 4.145 2.444 -10.826 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.272 2.967 -12.253 1.00 0.00 H new ATOM 1732 N SER A 114 4.398 4.815 -9.754 1.00 0.00 N ATOM 1733 CA SER A 114 4.877 6.149 -9.411 1.00 0.00 C ATOM 1734 C SER A 114 6.371 6.114 -9.103 1.00 0.00 C ATOM 1735 O SER A 114 6.865 5.172 -8.483 1.00 0.00 O ATOM 1736 CB SER A 114 4.116 6.682 -8.197 1.00 0.00 C ATOM 1737 OG SER A 114 2.726 6.718 -8.494 1.00 0.00 O ATOM 0 H SER A 114 4.530 4.114 -9.025 1.00 0.00 H new ATOM 0 HA SER A 114 4.706 6.808 -10.262 1.00 0.00 H new ATOM 0 HB2 SER A 114 4.298 6.046 -7.331 1.00 0.00 H new ATOM 0 HB3 SER A 114 4.471 7.680 -7.940 1.00 0.00 H new ATOM 0 HG SER A 114 2.234 7.058 -7.717 1.00 0.00 H new ATOM 1743 N VAL A 115 7.086 7.143 -9.543 1.00 0.00 N ATOM 1744 CA VAL A 115 8.524 7.218 -9.311 1.00 0.00 C ATOM 1745 C VAL A 115 8.830 7.401 -7.827 1.00 0.00 C ATOM 1746 O VAL A 115 9.754 6.786 -7.295 1.00 0.00 O ATOM 1747 CB VAL A 115 9.119 8.385 -10.100 1.00 0.00 C ATOM 1748 CG1 VAL A 115 10.593 8.555 -9.727 1.00 0.00 C ATOM 1749 CG2 VAL A 115 9.006 8.094 -11.599 1.00 0.00 C ATOM 0 H VAL A 115 6.697 7.932 -10.059 1.00 0.00 H new ATOM 0 HA VAL A 115 8.970 6.282 -9.646 1.00 0.00 H new ATOM 0 HB VAL A 115 8.575 9.299 -9.862 1.00 0.00 H new ATOM 0 HG11 VAL A 115 11.017 9.387 -10.289 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.677 8.758 -8.659 1.00 0.00 H new ATOM 0 HG13 VAL A 115 11.137 7.641 -9.966 1.00 0.00 H new ATOM 0 HG21 VAL A 115 9.429 8.925 -12.164 1.00 0.00 H new ATOM 0 HG22 VAL A 115 9.551 7.180 -11.834 1.00 0.00 H new ATOM 0 HG23 VAL A 115 7.957 7.970 -11.868 1.00 0.00 H new ATOM 1759 N GLN A 116 8.056 8.258 -7.168 1.00 0.00 N ATOM 1760 CA GLN A 116 8.266 8.521 -5.748 1.00 0.00 C ATOM 1761 C GLN A 116 8.127 7.243 -4.925 1.00 0.00 C ATOM 1762 O GLN A 116 8.937 6.979 -4.038 1.00 0.00 O ATOM 1763 CB GLN A 116 7.253 9.559 -5.257 1.00 0.00 C ATOM 1764 CG GLN A 116 7.601 9.984 -3.829 1.00 0.00 C ATOM 1765 CD GLN A 116 8.842 10.870 -3.835 1.00 0.00 C ATOM 1766 OE1 GLN A 116 9.926 10.464 -3.233 1.00 0.00 O flip ATOM 1767 NE2 GLN A 116 8.824 11.961 -4.403 1.00 0.00 N flip ATOM 0 H GLN A 116 7.286 8.777 -7.589 1.00 0.00 H new ATOM 0 HA GLN A 116 9.278 8.904 -5.620 1.00 0.00 H new ATOM 0 HB2 GLN A 116 7.258 10.427 -5.916 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.246 9.142 -5.287 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.763 10.522 -3.387 1.00 0.00 H new ATOM 0 HG3 GLN A 116 7.776 9.103 -3.211 1.00 0.00 H new ATOM 0 HE21 GLN A 116 7.976 12.277 -4.873 1.00 0.00 H new ATOM 0 HE22 GLN A 116 9.657 12.549 -4.404 1.00 0.00 H new ATOM 1776 N HIS A 117 7.099 6.454 -5.220 1.00 0.00 N ATOM 1777 CA HIS A 117 6.878 5.211 -4.488 1.00 0.00 C ATOM 1778 C HIS A 117 8.023 4.234 -4.738 1.00 0.00 C ATOM 1779 O HIS A 117 8.559 3.639 -3.805 1.00 0.00 O ATOM 1780 CB HIS A 117 5.552 4.577 -4.912 1.00 0.00 C ATOM 1781 CG HIS A 117 5.187 3.484 -3.944 1.00 0.00 C ATOM 1782 ND1 HIS A 117 5.441 3.587 -2.586 1.00 0.00 N ATOM 1783 CD2 HIS A 117 4.567 2.272 -4.118 1.00 0.00 C ATOM 1784 CE1 HIS A 117 4.978 2.469 -1.998 1.00 0.00 C ATOM 1785 NE2 HIS A 117 4.432 1.630 -2.888 1.00 0.00 N ATOM 0 H HIS A 117 6.414 6.649 -5.950 1.00 0.00 H new ATOM 0 HA HIS A 117 6.838 5.440 -3.423 1.00 0.00 H new ATOM 0 HB2 HIS A 117 4.767 5.333 -4.937 1.00 0.00 H new ATOM 0 HB3 HIS A 117 5.636 4.171 -5.920 1.00 0.00 H new ATOM 0 HD2 HIS A 117 4.234 1.875 -5.066 1.00 0.00 H new ATOM 0 HE1 HIS A 117 5.039 2.272 -0.938 1.00 0.00 H new ATOM 0 HE2 HIS A 117 4.010 0.720 -2.706 1.00 0.00 H new ATOM 1793 N ARG A 118 8.394 4.077 -6.005 1.00 0.00 N ATOM 1794 CA ARG A 118 9.480 3.174 -6.365 1.00 0.00 C ATOM 1795 C ARG A 118 10.778 3.610 -5.694 1.00 0.00 C ATOM 1796 O ARG A 118 11.524 2.785 -5.164 1.00 0.00 O ATOM 1797 CB ARG A 118 9.663 3.168 -7.885 1.00 0.00 C ATOM 1798 CG ARG A 118 10.719 2.133 -8.276 1.00 0.00 C ATOM 1799 CD ARG A 118 10.922 2.165 -9.791 1.00 0.00 C ATOM 1800 NE ARG A 118 11.836 1.106 -10.207 1.00 0.00 N ATOM 1801 CZ ARG A 118 13.146 1.320 -10.291 1.00 0.00 C ATOM 1802 NH1 ARG A 118 13.640 2.486 -9.977 1.00 0.00 N ATOM 1803 NH2 ARG A 118 13.937 0.361 -10.685 1.00 0.00 N ATOM 0 H ARG A 118 7.962 4.559 -6.793 1.00 0.00 H new ATOM 0 HA ARG A 118 9.229 2.170 -6.024 1.00 0.00 H new ATOM 0 HB2 ARG A 118 8.716 2.937 -8.373 1.00 0.00 H new ATOM 0 HB3 ARG A 118 9.966 4.157 -8.228 1.00 0.00 H new ATOM 0 HG2 ARG A 118 11.659 2.346 -7.767 1.00 0.00 H new ATOM 0 HG3 ARG A 118 10.404 1.138 -7.961 1.00 0.00 H new ATOM 0 HD2 ARG A 118 9.963 2.044 -10.295 1.00 0.00 H new ATOM 0 HD3 ARG A 118 11.320 3.135 -10.090 1.00 0.00 H new ATOM 0 HE ARG A 118 11.463 0.185 -10.438 1.00 0.00 H new ATOM 0 HH11 ARG A 118 13.021 3.235 -9.667 1.00 0.00 H new ATOM 0 HH12 ARG A 118 14.645 2.648 -10.042 1.00 0.00 H new ATOM 0 HH21 ARG A 118 13.551 -0.551 -10.928 1.00 0.00 H new ATOM 0 HH22 ARG A 118 14.942 0.523 -10.750 1.00 0.00 H new ATOM 1817 N ASN A 119 11.037 4.914 -5.716 1.00 0.00 N ATOM 1818 CA ASN A 119 12.244 5.458 -5.105 1.00 0.00 C ATOM 1819 C ASN A 119 12.251 5.202 -3.601 1.00 0.00 C ATOM 1820 O ASN A 119 13.302 4.958 -3.007 1.00 0.00 O ATOM 1821 CB ASN A 119 12.328 6.962 -5.367 1.00 0.00 C ATOM 1822 CG ASN A 119 12.475 7.222 -6.862 1.00 0.00 C ATOM 1823 OD1 ASN A 119 12.215 8.410 -7.338 1.00 0.00 O flip ATOM 1824 ND2 ASN A 119 12.836 6.320 -7.618 1.00 0.00 N flip ATOM 0 H ASN A 119 10.430 5.610 -6.148 1.00 0.00 H new ATOM 0 HA ASN A 119 13.106 4.961 -5.549 1.00 0.00 H new ATOM 0 HB2 ASN A 119 11.433 7.456 -4.990 1.00 0.00 H new ATOM 0 HB3 ASN A 119 13.176 7.386 -4.830 1.00 0.00 H new ATOM 0 HD21 ASN A 119 13.039 5.393 -7.245 1.00 0.00 H new ATOM 0 HD22 ASN A 119 12.932 6.500 -8.617 1.00 0.00 H new ATOM 1831 N ASP A 120 11.073 5.269 -2.989 1.00 0.00 N ATOM 1832 CA ASP A 120 10.958 5.052 -1.552 1.00 0.00 C ATOM 1833 C ASP A 120 11.483 3.673 -1.167 1.00 0.00 C ATOM 1834 O ASP A 120 12.129 3.514 -0.132 1.00 0.00 O ATOM 1835 CB ASP A 120 9.498 5.185 -1.116 1.00 0.00 C ATOM 1836 CG ASP A 120 9.034 6.627 -1.286 1.00 0.00 C ATOM 1837 OD1 ASP A 120 9.881 7.480 -1.496 1.00 0.00 O ATOM 1838 OD2 ASP A 120 7.839 6.858 -1.202 1.00 0.00 O ATOM 0 H ASP A 120 10.192 5.470 -3.461 1.00 0.00 H new ATOM 0 HA ASP A 120 11.559 5.808 -1.045 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.870 4.520 -1.709 1.00 0.00 H new ATOM 0 HB3 ASP A 120 9.391 4.880 -0.075 1.00 0.00 H new ATOM 1843 N VAL A 121 11.205 2.677 -2.002 1.00 0.00 N ATOM 1844 CA VAL A 121 11.662 1.319 -1.726 1.00 0.00 C ATOM 1845 C VAL A 121 13.186 1.270 -1.683 1.00 0.00 C ATOM 1846 O VAL A 121 13.773 0.644 -0.800 1.00 0.00 O ATOM 1847 CB VAL A 121 11.147 0.363 -2.803 1.00 0.00 C ATOM 1848 CG1 VAL A 121 11.799 -1.009 -2.619 1.00 0.00 C ATOM 1849 CG2 VAL A 121 9.628 0.225 -2.676 1.00 0.00 C ATOM 0 H VAL A 121 10.672 2.782 -2.865 1.00 0.00 H new ATOM 0 HA VAL A 121 11.271 1.012 -0.756 1.00 0.00 H new ATOM 0 HB VAL A 121 11.396 0.756 -3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 121 11.433 -1.692 -3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 121 12.881 -0.912 -2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 121 11.548 -1.402 -1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.259 -0.456 -3.443 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.380 -0.169 -1.691 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.162 1.202 -2.804 1.00 0.00 H new ATOM 1859 N LEU A 122 13.820 1.940 -2.640 1.00 0.00 N ATOM 1860 CA LEU A 122 15.276 1.974 -2.703 1.00 0.00 C ATOM 1861 C LEU A 122 15.854 2.702 -1.493 1.00 0.00 C ATOM 1862 O LEU A 122 16.969 2.414 -1.060 1.00 0.00 O ATOM 1863 CB LEU A 122 15.730 2.671 -3.989 1.00 0.00 C ATOM 1864 CG LEU A 122 15.241 1.878 -5.203 1.00 0.00 C ATOM 1865 CD1 LEU A 122 15.635 2.612 -6.485 1.00 0.00 C ATOM 1866 CD2 LEU A 122 15.886 0.490 -5.198 1.00 0.00 C ATOM 0 H LEU A 122 13.351 2.464 -3.379 1.00 0.00 H new ATOM 0 HA LEU A 122 15.642 0.947 -2.699 1.00 0.00 H new ATOM 0 HB2 LEU A 122 15.336 3.687 -4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 122 16.817 2.750 -4.007 1.00 0.00 H new ATOM 0 HG LEU A 122 14.156 1.779 -5.157 1.00 0.00 H new ATOM 0 HD11 LEU A 122 15.287 2.047 -7.350 1.00 0.00 H new ATOM 0 HD12 LEU A 122 15.180 3.603 -6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 122 16.720 2.711 -6.529 1.00 0.00 H new ATOM 0 HD21 LEU A 122 15.538 -0.076 -6.062 1.00 0.00 H new ATOM 0 HD22 LEU A 122 16.970 0.592 -5.243 1.00 0.00 H new ATOM 0 HD23 LEU A 122 15.609 -0.036 -4.285 1.00 0.00 H new ATOM 1878 N ASN A 123 15.092 3.654 -0.961 1.00 0.00 N ATOM 1879 CA ASN A 123 15.540 4.429 0.193 1.00 0.00 C ATOM 1880 C ASN A 123 16.816 5.191 -0.144 1.00 0.00 C ATOM 1881 O ASN A 123 17.760 5.224 0.646 1.00 0.00 O ATOM 1882 CB ASN A 123 15.792 3.506 1.389 1.00 0.00 C ATOM 1883 CG ASN A 123 14.524 2.730 1.730 1.00 0.00 C ATOM 1884 OD1 ASN A 123 13.434 3.300 1.752 1.00 0.00 O ATOM 1885 ND2 ASN A 123 14.603 1.455 1.998 1.00 0.00 N ATOM 0 H ASN A 123 14.167 3.907 -1.308 1.00 0.00 H new ATOM 0 HA ASN A 123 14.757 5.142 0.452 1.00 0.00 H new ATOM 0 HB2 ASN A 123 16.601 2.813 1.159 1.00 0.00 H new ATOM 0 HB3 ASN A 123 16.111 4.093 2.250 1.00 0.00 H new ATOM 0 HD21 ASN A 123 13.760 0.929 2.226 1.00 0.00 H new ATOM 0 HD22 ASN A 123 15.508 0.985 1.979 1.00 0.00 H new ATOM 1892 N ARG A 124 16.835 5.803 -1.323 1.00 0.00 N ATOM 1893 CA ARG A 124 17.998 6.565 -1.762 1.00 0.00 C ATOM 1894 C ARG A 124 18.488 7.484 -0.647 1.00 0.00 C ATOM 1895 O ARG A 124 17.860 8.506 -0.429 1.00 0.00 O ATOM 1896 CB ARG A 124 17.640 7.400 -2.993 1.00 0.00 C ATOM 1897 CG ARG A 124 17.310 6.472 -4.163 1.00 0.00 C ATOM 1898 CD ARG A 124 17.066 7.306 -5.422 1.00 0.00 C ATOM 1899 NE ARG A 124 16.005 8.278 -5.186 1.00 0.00 N ATOM 1900 CZ ARG A 124 15.590 9.091 -6.153 1.00 0.00 C ATOM 1901 NH1 ARG A 124 16.132 9.025 -7.337 1.00 0.00 N ATOM 1902 NH2 ARG A 124 14.640 9.953 -5.916 1.00 0.00 N ATOM 1903 OXT ARG A 124 19.485 7.150 -0.026 1.00 0.00 O ATOM 0 H ARG A 124 16.062 5.787 -1.989 1.00 0.00 H new ATOM 0 HA ARG A 124 18.794 5.865 -2.016 1.00 0.00 H new ATOM 0 HB2 ARG A 124 16.787 8.043 -2.774 1.00 0.00 H new ATOM 0 HB3 ARG A 124 18.472 8.053 -3.257 1.00 0.00 H new ATOM 0 HG2 ARG A 124 18.130 5.774 -4.330 1.00 0.00 H new ATOM 0 HG3 ARG A 124 16.427 5.877 -3.931 1.00 0.00 H new ATOM 0 HD2 ARG A 124 17.983 7.821 -5.709 1.00 0.00 H new ATOM 0 HD3 ARG A 124 16.793 6.654 -6.252 1.00 0.00 H new ATOM 0 HE ARG A 124 15.574 8.335 -4.263 1.00 0.00 H new ATOM 0 HH11 ARG A 124 16.874 8.350 -7.521 1.00 0.00 H new ATOM 0 HH12 ARG A 124 15.814 9.648 -8.079 1.00 0.00 H new ATOM 0 HH21 ARG A 124 14.216 10.003 -4.990 1.00 0.00 H new ATOM 0 HH22 ARG A 124 14.321 10.577 -6.657 1.00 0.00 H new