USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 467 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.00518) USER MOD Single : A 38 TYR OH : rot -143:sc= 0.0562 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 94:sc= 0.225 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 67 THR OG1 : rot 170:sc= -4.91! USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.078) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.711 8.384 -7.190 1.00 0.00 N ATOM 21 CA VAL A 2 -8.019 7.626 -6.106 1.00 0.00 C ATOM 22 C VAL A 2 -6.973 6.691 -6.718 1.00 0.00 C ATOM 23 O VAL A 2 -7.283 5.856 -7.542 1.00 0.00 O ATOM 24 CB VAL A 2 -9.115 6.817 -5.410 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.540 6.143 -4.162 1.00 0.00 C ATOM 26 CG2 VAL A 2 -10.262 7.746 -5.003 1.00 0.00 C ATOM 0 HA VAL A 2 -7.502 8.284 -5.407 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.490 6.057 -6.095 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.322 5.567 -3.667 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.726 5.478 -4.450 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.162 6.904 -3.479 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -11.041 7.167 -4.508 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.888 8.509 -4.320 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.675 8.225 -5.891 1.00 0.00 H new ATOM 36 N LYS A 3 -5.735 6.828 -6.330 1.00 0.00 N ATOM 37 CA LYS A 3 -4.676 5.944 -6.903 1.00 0.00 C ATOM 38 C LYS A 3 -3.681 5.526 -5.818 1.00 0.00 C ATOM 39 O LYS A 3 -3.199 6.343 -5.059 1.00 0.00 O ATOM 40 CB LYS A 3 -3.972 6.802 -7.959 1.00 0.00 C ATOM 41 CG LYS A 3 -4.999 7.364 -8.945 1.00 0.00 C ATOM 42 CD LYS A 3 -4.299 8.293 -9.938 1.00 0.00 C ATOM 43 CE LYS A 3 -3.637 7.461 -11.038 1.00 0.00 C ATOM 44 NZ LYS A 3 -3.244 8.448 -12.082 1.00 0.00 N ATOM 0 H LYS A 3 -5.410 7.510 -5.644 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.093 5.029 -7.323 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.434 7.618 -7.477 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.233 6.204 -8.492 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.491 6.550 -9.477 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.775 7.908 -8.407 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.019 8.985 -10.375 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.551 8.895 -9.423 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.769 6.922 -10.657 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.325 6.716 -11.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.782 7.953 -12.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -4.091 8.941 -12.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.584 9.140 -11.674 1.00 0.00 H new ATOM 58 N ILE A 4 -3.348 4.262 -5.750 1.00 0.00 N ATOM 59 CA ILE A 4 -2.367 3.813 -4.729 1.00 0.00 C ATOM 60 C ILE A 4 -0.995 3.660 -5.382 1.00 0.00 C ATOM 61 O ILE A 4 -0.872 3.163 -6.482 1.00 0.00 O ATOM 62 CB ILE A 4 -2.882 2.478 -4.200 1.00 0.00 C ATOM 63 CG1 ILE A 4 -4.165 2.707 -3.408 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.833 1.842 -3.282 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.881 1.373 -3.228 1.00 0.00 C ATOM 0 H ILE A 4 -3.714 3.528 -6.356 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.261 4.528 -3.913 1.00 0.00 H new ATOM 0 HB ILE A 4 -3.079 1.813 -5.041 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.935 3.145 -2.437 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.810 3.413 -3.931 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.207 0.889 -2.908 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.912 1.676 -3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.632 2.508 -2.443 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.800 1.527 -2.662 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.122 0.955 -4.205 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.234 0.683 -2.687 1.00 0.00 H new ATOM 77 N ARG A 5 0.037 4.095 -4.722 1.00 0.00 N ATOM 78 CA ARG A 5 1.392 3.983 -5.313 1.00 0.00 C ATOM 79 C ARG A 5 2.433 3.852 -4.209 1.00 0.00 C ATOM 80 O ARG A 5 2.111 3.894 -3.039 1.00 0.00 O ATOM 81 CB ARG A 5 1.593 5.281 -6.096 1.00 0.00 C ATOM 82 CG ARG A 5 1.368 6.479 -5.172 1.00 0.00 C ATOM 83 CD ARG A 5 1.705 7.771 -5.917 1.00 0.00 C ATOM 84 NE ARG A 5 3.193 7.779 -6.018 1.00 0.00 N ATOM 85 CZ ARG A 5 3.843 8.885 -6.293 1.00 0.00 C ATOM 86 NH1 ARG A 5 3.204 10.015 -6.473 1.00 0.00 N ATOM 87 NH2 ARG A 5 5.144 8.860 -6.388 1.00 0.00 N ATOM 0 H ARG A 5 -0.001 4.524 -3.797 1.00 0.00 H new ATOM 0 HA ARG A 5 1.496 3.106 -5.952 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.600 5.314 -6.512 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.900 5.322 -6.936 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.332 6.501 -4.835 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.991 6.387 -4.282 1.00 0.00 H new ATOM 0 HD2 ARG A 5 1.242 7.790 -6.904 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.341 8.645 -5.377 1.00 0.00 H new ATOM 0 HE ARG A 5 3.712 6.913 -5.871 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.187 10.043 -6.400 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.724 10.866 -6.686 1.00 0.00 H new ATOM 0 HH21 ARG A 5 5.649 7.985 -6.249 1.00 0.00 H new ATOM 0 HH22 ARG A 5 5.656 9.716 -6.602 1.00 0.00 H new ATOM 101 N LEU A 6 3.681 3.711 -4.560 1.00 0.00 N ATOM 102 CA LEU A 6 4.720 3.596 -3.503 1.00 0.00 C ATOM 103 C LEU A 6 5.232 4.993 -3.131 1.00 0.00 C ATOM 104 O LEU A 6 5.557 5.801 -3.979 1.00 0.00 O ATOM 105 CB LEU A 6 5.832 2.707 -4.083 1.00 0.00 C ATOM 106 CG LEU A 6 6.511 3.386 -5.272 1.00 0.00 C ATOM 107 CD1 LEU A 6 7.608 4.327 -4.770 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.138 2.315 -6.168 1.00 0.00 C ATOM 0 H LEU A 6 4.022 3.671 -5.520 1.00 0.00 H new ATOM 0 HA LEU A 6 4.332 3.152 -2.586 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.571 2.493 -3.311 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.412 1.751 -4.396 1.00 0.00 H new ATOM 0 HG LEU A 6 5.773 3.958 -5.835 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.090 4.810 -5.620 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.168 5.086 -4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.348 3.756 -4.209 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.625 2.792 -7.019 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.876 1.750 -5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.361 1.640 -6.526 1.00 0.00 H new ATOM 120 N ALA A 7 5.281 5.282 -1.859 1.00 0.00 N ATOM 121 CA ALA A 7 5.745 6.617 -1.391 1.00 0.00 C ATOM 122 C ALA A 7 7.203 6.516 -0.952 1.00 0.00 C ATOM 123 O ALA A 7 7.749 5.440 -0.889 1.00 0.00 O ATOM 124 CB ALA A 7 4.848 6.924 -0.196 1.00 0.00 C ATOM 0 H ALA A 7 5.015 4.639 -1.114 1.00 0.00 H new ATOM 0 HA ALA A 7 5.688 7.389 -2.158 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.116 7.895 0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.807 6.942 -0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.980 6.155 0.565 1.00 0.00 H new ATOM 130 N ARG A 8 7.847 7.615 -0.656 1.00 0.00 N ATOM 131 CA ARG A 8 9.274 7.537 -0.242 1.00 0.00 C ATOM 132 C ARG A 8 9.561 8.390 0.998 1.00 0.00 C ATOM 133 O ARG A 8 9.448 9.599 0.975 1.00 0.00 O ATOM 134 CB ARG A 8 10.058 8.065 -1.442 1.00 0.00 C ATOM 135 CG ARG A 8 11.559 7.969 -1.158 1.00 0.00 C ATOM 136 CD ARG A 8 12.139 9.375 -0.987 1.00 0.00 C ATOM 137 NE ARG A 8 13.615 9.195 -1.103 1.00 0.00 N ATOM 138 CZ ARG A 8 14.444 10.094 -0.624 1.00 0.00 C ATOM 139 NH1 ARG A 8 13.999 11.181 -0.041 1.00 0.00 N ATOM 140 NH2 ARG A 8 15.730 9.904 -0.735 1.00 0.00 N ATOM 0 H ARG A 8 7.449 8.554 -0.683 1.00 0.00 H new ATOM 0 HA ARG A 8 9.550 6.518 0.030 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.809 7.489 -2.334 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.781 9.100 -1.643 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.732 7.381 -0.257 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.062 7.454 -1.976 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.762 10.054 -1.752 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.867 9.800 -0.021 1.00 0.00 H new ATOM 0 HE ARG A 8 13.986 8.362 -1.561 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.995 11.339 0.046 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.657 11.869 0.326 1.00 0.00 H new ATOM 0 HH21 ARG A 8 16.084 9.063 -1.191 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.382 10.597 -0.366 1.00 0.00 H new ATOM 276 N TYR A 17 9.547 2.761 1.546 1.00 0.00 N ATOM 277 CA TYR A 17 8.439 3.428 0.818 1.00 0.00 C ATOM 278 C TYR A 17 7.123 2.862 1.339 1.00 0.00 C ATOM 279 O TYR A 17 7.122 1.877 2.049 1.00 0.00 O ATOM 280 CB TYR A 17 8.597 2.978 -0.631 1.00 0.00 C ATOM 281 CG TYR A 17 9.788 3.606 -1.331 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.665 4.474 -0.665 1.00 0.00 C ATOM 283 CD2 TYR A 17 10.009 3.296 -2.680 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.755 5.026 -1.348 1.00 0.00 C ATOM 285 CE2 TYR A 17 11.097 3.848 -3.361 1.00 0.00 C ATOM 286 CZ TYR A 17 11.972 4.713 -2.696 1.00 0.00 C ATOM 287 OH TYR A 17 13.046 5.262 -3.368 1.00 0.00 O ATOM 0 HA TYR A 17 8.452 4.512 0.932 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.700 1.893 -0.658 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.689 3.226 -1.182 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.500 4.717 0.374 1.00 0.00 H new ATOM 0 HD2 TYR A 17 9.335 2.627 -3.195 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.430 5.695 -0.835 1.00 0.00 H new ATOM 0 HE2 TYR A 17 11.262 3.607 -4.401 1.00 0.00 H new ATOM 0 HH TYR A 17 13.051 4.941 -4.294 1.00 0.00 H new ATOM 297 N ARG A 18 6.003 3.428 0.978 1.00 0.00 N ATOM 298 CA ARG A 18 4.723 2.838 1.445 1.00 0.00 C ATOM 299 C ARG A 18 3.748 2.769 0.281 1.00 0.00 C ATOM 300 O ARG A 18 3.793 3.567 -0.625 1.00 0.00 O ATOM 301 CB ARG A 18 4.201 3.764 2.536 1.00 0.00 C ATOM 302 CG ARG A 18 4.777 3.339 3.888 1.00 0.00 C ATOM 303 CD ARG A 18 4.447 4.399 4.941 1.00 0.00 C ATOM 304 NE ARG A 18 5.490 4.231 5.997 1.00 0.00 N ATOM 305 CZ ARG A 18 5.510 5.012 7.052 1.00 0.00 C ATOM 306 NH1 ARG A 18 4.606 5.944 7.217 1.00 0.00 N ATOM 307 NH2 ARG A 18 6.443 4.854 7.951 1.00 0.00 N ATOM 0 H ARG A 18 5.922 4.258 0.391 1.00 0.00 H new ATOM 0 HA ARG A 18 4.852 1.826 1.829 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.481 4.794 2.317 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.112 3.730 2.566 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.363 2.375 4.185 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.857 3.212 3.811 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.475 5.402 4.514 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.446 4.253 5.348 1.00 0.00 H new ATOM 0 HE ARG A 18 6.195 3.501 5.897 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.872 6.072 6.520 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.635 6.543 8.042 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.149 4.128 7.831 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.466 5.457 8.774 1.00 0.00 H new ATOM 321 N ILE A 19 2.835 1.853 0.319 1.00 0.00 N ATOM 322 CA ILE A 19 1.836 1.765 -0.765 1.00 0.00 C ATOM 323 C ILE A 19 0.648 2.512 -0.208 1.00 0.00 C ATOM 324 O ILE A 19 -0.240 1.967 0.417 1.00 0.00 O ATOM 325 CB ILE A 19 1.525 0.277 -1.003 1.00 0.00 C ATOM 326 CG1 ILE A 19 2.645 -0.639 -0.498 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.402 0.027 -2.500 1.00 0.00 C ATOM 328 CD1 ILE A 19 3.960 -0.208 -1.137 1.00 0.00 C ATOM 0 H ILE A 19 2.737 1.157 1.059 1.00 0.00 H new ATOM 0 HA ILE A 19 2.151 2.181 -1.722 1.00 0.00 H new ATOM 0 HB ILE A 19 0.604 0.055 -0.464 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.717 -0.583 0.588 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.426 -1.677 -0.750 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.182 -1.026 -2.676 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.597 0.639 -2.906 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.339 0.288 -2.991 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.765 -0.853 -0.785 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.881 -0.286 -2.221 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.177 0.824 -0.863 1.00 0.00 H new ATOM 340 N VAL A 20 0.723 3.797 -0.347 1.00 0.00 N ATOM 341 CA VAL A 20 -0.279 4.697 0.244 1.00 0.00 C ATOM 342 C VAL A 20 -1.333 5.109 -0.792 1.00 0.00 C ATOM 343 O VAL A 20 -1.128 5.007 -1.985 1.00 0.00 O ATOM 344 CB VAL A 20 0.617 5.861 0.734 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.500 7.093 -0.160 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.261 6.223 2.169 1.00 0.00 C ATOM 0 H VAL A 20 1.463 4.272 -0.864 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.882 4.267 1.044 1.00 0.00 H new ATOM 0 HB VAL A 20 1.651 5.520 0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.146 7.883 0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.803 6.836 -1.175 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.533 7.441 -0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.896 7.042 2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.784 6.530 2.218 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.416 5.356 2.812 1.00 0.00 H new ATOM 356 N VAL A 21 -2.479 5.525 -0.329 1.00 0.00 N ATOM 357 CA VAL A 21 -3.582 5.894 -1.257 1.00 0.00 C ATOM 358 C VAL A 21 -3.765 7.412 -1.319 1.00 0.00 C ATOM 359 O VAL A 21 -4.193 8.034 -0.370 1.00 0.00 O ATOM 360 CB VAL A 21 -4.850 5.230 -0.677 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.714 4.733 -1.824 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.507 4.034 0.213 1.00 0.00 C ATOM 0 H VAL A 21 -2.699 5.626 0.662 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.371 5.561 -2.273 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.372 5.974 -0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.613 4.262 -1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.996 5.574 -2.458 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.154 4.006 -2.413 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.426 3.594 0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.967 3.289 -0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.884 4.365 1.044 1.00 0.00 H new ATOM 372 N THR A 22 -3.460 8.011 -2.438 1.00 0.00 N ATOM 373 CA THR A 22 -3.628 9.489 -2.565 1.00 0.00 C ATOM 374 C THR A 22 -4.255 9.834 -3.919 1.00 0.00 C ATOM 375 O THR A 22 -4.742 8.974 -4.627 1.00 0.00 O ATOM 376 CB THR A 22 -2.214 10.074 -2.467 1.00 0.00 C ATOM 377 OG1 THR A 22 -2.254 11.461 -2.774 1.00 0.00 O ATOM 378 CG2 THR A 22 -1.284 9.359 -3.451 1.00 0.00 C ATOM 0 H THR A 22 -3.102 7.542 -3.270 1.00 0.00 H new ATOM 0 HA THR A 22 -4.284 9.891 -1.793 1.00 0.00 H new ATOM 0 HB THR A 22 -1.837 9.934 -1.454 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.351 11.836 -2.710 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.281 9.780 -3.376 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.250 8.296 -3.213 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.658 9.491 -4.466 1.00 0.00 H new ATOM 543 N TYR A 32 -1.855 11.593 1.190 1.00 0.00 N ATOM 544 CA TYR A 32 -2.727 10.423 0.859 1.00 0.00 C ATOM 545 C TYR A 32 -3.881 10.313 1.854 1.00 0.00 C ATOM 546 O TYR A 32 -3.863 10.900 2.917 1.00 0.00 O ATOM 547 CB TYR A 32 -1.829 9.181 0.945 1.00 0.00 C ATOM 548 CG TYR A 32 -1.081 9.165 2.257 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.707 8.687 3.414 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.239 9.627 2.313 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.011 8.672 4.629 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.935 9.611 3.526 1.00 0.00 C ATOM 553 CZ TYR A 32 0.309 9.134 4.685 1.00 0.00 C ATOM 554 OH TYR A 32 0.996 9.120 5.883 1.00 0.00 O ATOM 0 HA TYR A 32 -3.167 10.529 -0.132 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.434 8.279 0.853 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.122 9.177 0.115 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.725 8.330 3.370 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.720 9.996 1.419 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.493 8.304 5.523 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.954 9.966 3.569 1.00 0.00 H new ATOM 0 HH TYR A 32 1.900 9.473 5.746 1.00 0.00 H new ATOM 564 N ILE A 33 -4.884 9.557 1.508 1.00 0.00 N ATOM 565 CA ILE A 33 -6.051 9.390 2.415 1.00 0.00 C ATOM 566 C ILE A 33 -5.670 8.518 3.614 1.00 0.00 C ATOM 567 O ILE A 33 -5.858 8.896 4.753 1.00 0.00 O ATOM 568 CB ILE A 33 -7.101 8.690 1.555 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.448 9.576 0.355 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.358 8.440 2.384 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.609 8.706 -0.893 1.00 0.00 C ATOM 0 H ILE A 33 -4.945 9.044 0.629 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.409 10.337 2.818 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.705 7.737 1.203 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.369 10.125 0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.663 10.316 0.197 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.106 7.940 1.769 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.111 7.810 3.238 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.756 9.391 2.738 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.856 9.337 -1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.677 8.177 -1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.409 7.984 -0.732 1.00 0.00 H new ATOM 583 N GLU A 34 -5.136 7.356 3.365 1.00 0.00 N ATOM 584 CA GLU A 34 -4.743 6.459 4.488 1.00 0.00 C ATOM 585 C GLU A 34 -3.581 5.559 4.061 1.00 0.00 C ATOM 586 O GLU A 34 -3.352 5.340 2.888 1.00 0.00 O ATOM 587 CB GLU A 34 -5.989 5.625 4.786 1.00 0.00 C ATOM 588 CG GLU A 34 -6.609 6.085 6.108 1.00 0.00 C ATOM 589 CD GLU A 34 -8.085 5.686 6.146 1.00 0.00 C ATOM 590 OE1 GLU A 34 -8.854 6.260 5.393 1.00 0.00 O ATOM 591 OE2 GLU A 34 -8.423 4.814 6.931 1.00 0.00 O ATOM 0 H GLU A 34 -4.954 6.987 2.431 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.409 7.015 5.364 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.712 5.731 3.977 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.727 4.569 4.843 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.078 5.635 6.947 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.511 7.166 6.211 1.00 0.00 H new ATOM 598 N LYS A 35 -2.846 5.037 5.003 1.00 0.00 N ATOM 599 CA LYS A 35 -1.698 4.154 4.646 1.00 0.00 C ATOM 600 C LYS A 35 -2.143 2.685 4.621 1.00 0.00 C ATOM 601 O LYS A 35 -2.476 2.107 5.636 1.00 0.00 O ATOM 602 CB LYS A 35 -0.655 4.396 5.744 1.00 0.00 C ATOM 603 CG LYS A 35 -1.185 3.895 7.091 1.00 0.00 C ATOM 604 CD LYS A 35 -0.706 4.820 8.210 1.00 0.00 C ATOM 605 CE LYS A 35 -0.758 4.072 9.543 1.00 0.00 C ATOM 606 NZ LYS A 35 -2.190 4.115 9.951 1.00 0.00 N ATOM 0 H LYS A 35 -2.989 5.182 6.002 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.298 4.372 3.656 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.273 3.881 5.495 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.423 5.459 5.808 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.274 3.862 7.075 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.838 2.878 7.274 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.311 5.157 8.009 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.333 5.710 8.255 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.409 3.045 9.434 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.120 4.548 10.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.269 4.540 10.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.728 4.686 9.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.574 3.149 9.973 1.00 0.00 H new ATOM 620 N ILE A 36 -2.156 2.078 3.466 1.00 0.00 N ATOM 621 CA ILE A 36 -2.584 0.647 3.388 1.00 0.00 C ATOM 622 C ILE A 36 -1.389 -0.268 3.198 1.00 0.00 C ATOM 623 O ILE A 36 -1.350 -1.365 3.722 1.00 0.00 O ATOM 624 CB ILE A 36 -3.515 0.569 2.180 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.780 1.046 0.918 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.733 1.454 2.431 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.708 0.941 -0.286 1.00 0.00 C ATOM 0 H ILE A 36 -1.892 2.504 2.578 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.077 0.326 4.306 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.833 -0.463 2.033 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.449 2.077 1.046 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.887 0.442 0.755 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.403 1.403 1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.258 1.107 3.321 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.410 2.484 2.579 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.184 1.280 -1.180 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.017 -0.096 -0.418 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.588 1.564 -0.123 1.00 0.00 H new ATOM 639 N GLY A 37 -0.425 0.149 2.441 1.00 0.00 N ATOM 640 CA GLY A 37 0.739 -0.732 2.212 1.00 0.00 C ATOM 641 C GLY A 37 2.029 -0.140 2.769 1.00 0.00 C ATOM 642 O GLY A 37 2.130 1.034 3.066 1.00 0.00 O ATOM 0 H GLY A 37 -0.392 1.055 1.974 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.556 -1.701 2.677 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.854 -0.908 1.142 1.00 0.00 H new ATOM 646 N TYR A 38 3.031 -0.970 2.853 1.00 0.00 N ATOM 647 CA TYR A 38 4.373 -0.525 3.324 1.00 0.00 C ATOM 648 C TYR A 38 5.443 -1.235 2.477 1.00 0.00 C ATOM 649 O TYR A 38 5.542 -2.447 2.492 1.00 0.00 O ATOM 650 CB TYR A 38 4.448 -0.961 4.787 1.00 0.00 C ATOM 651 CG TYR A 38 5.826 -0.672 5.327 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.122 0.595 5.846 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.809 -1.668 5.308 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.401 0.864 6.346 1.00 0.00 C ATOM 655 CE2 TYR A 38 8.087 -1.399 5.808 1.00 0.00 C ATOM 656 CZ TYR A 38 8.384 -0.133 6.328 1.00 0.00 C ATOM 657 OH TYR A 38 9.646 0.133 6.818 1.00 0.00 O ATOM 0 H TYR A 38 2.975 -1.959 2.610 1.00 0.00 H new ATOM 0 HA TYR A 38 4.533 0.549 3.231 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.697 -0.432 5.374 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.228 -2.025 4.872 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.364 1.364 5.860 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.581 -2.644 4.907 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.630 1.841 6.746 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.845 -2.168 5.793 1.00 0.00 H new ATOM 0 HH TYR A 38 10.314 -0.332 6.272 1.00 0.00 H new ATOM 667 N TYR A 39 6.239 -0.510 1.729 1.00 0.00 N ATOM 668 CA TYR A 39 7.275 -1.187 0.887 1.00 0.00 C ATOM 669 C TYR A 39 8.681 -0.927 1.452 1.00 0.00 C ATOM 670 O TYR A 39 8.957 0.127 1.989 1.00 0.00 O ATOM 671 CB TYR A 39 7.153 -0.569 -0.511 1.00 0.00 C ATOM 672 CG TYR A 39 8.251 -1.102 -1.412 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.559 -2.470 -1.409 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.954 -0.232 -2.255 1.00 0.00 C ATOM 675 CE1 TYR A 39 9.568 -2.964 -2.246 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.965 -0.730 -3.090 1.00 0.00 C ATOM 677 CZ TYR A 39 10.270 -2.094 -3.086 1.00 0.00 C ATOM 678 OH TYR A 39 11.262 -2.582 -3.918 1.00 0.00 O ATOM 0 H TYR A 39 6.218 0.508 1.665 1.00 0.00 H new ATOM 0 HA TYR A 39 7.124 -2.266 0.868 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.177 -0.802 -0.937 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.221 0.517 -0.445 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.018 -3.143 -0.761 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.718 0.822 -2.262 1.00 0.00 H new ATOM 0 HE1 TYR A 39 9.804 -4.018 -2.242 1.00 0.00 H new ATOM 0 HE2 TYR A 39 10.509 -0.058 -3.737 1.00 0.00 H new ATOM 0 HH TYR A 39 11.648 -1.844 -4.435 1.00 0.00 H new ATOM 688 N ASP A 40 9.574 -1.869 1.314 1.00 0.00 N ATOM 689 CA ASP A 40 10.966 -1.668 1.818 1.00 0.00 C ATOM 690 C ASP A 40 11.956 -2.261 0.806 1.00 0.00 C ATOM 691 O ASP A 40 12.363 -3.397 0.931 1.00 0.00 O ATOM 692 CB ASP A 40 11.024 -2.423 3.145 1.00 0.00 C ATOM 693 CG ASP A 40 12.189 -1.891 3.982 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.319 -2.013 3.537 1.00 0.00 O ATOM 695 OD2 ASP A 40 11.933 -1.372 5.057 1.00 0.00 O ATOM 0 H ASP A 40 9.401 -2.772 0.873 1.00 0.00 H new ATOM 0 HA ASP A 40 11.224 -0.617 1.951 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.086 -2.300 3.687 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.150 -3.490 2.964 1.00 0.00 H new ATOM 838 N LEU A 49 7.796 -6.741 1.813 1.00 0.00 N ATOM 839 CA LEU A 49 6.476 -6.089 1.576 1.00 0.00 C ATOM 840 C LEU A 49 5.531 -6.323 2.752 1.00 0.00 C ATOM 841 O LEU A 49 5.311 -7.440 3.180 1.00 0.00 O ATOM 842 CB LEU A 49 5.915 -6.755 0.320 1.00 0.00 C ATOM 843 CG LEU A 49 4.944 -5.797 -0.381 1.00 0.00 C ATOM 844 CD1 LEU A 49 4.315 -6.501 -1.580 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.837 -5.375 0.591 1.00 0.00 C ATOM 0 HA LEU A 49 6.582 -5.010 1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.728 -7.024 -0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.402 -7.679 0.585 1.00 0.00 H new ATOM 0 HG LEU A 49 5.490 -4.914 -0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.624 -5.822 -2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.097 -6.801 -2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.773 -7.384 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.150 -4.695 0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.292 -6.257 0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.280 -4.873 1.451 1.00 0.00 H new ATOM 857 N LYS A 50 4.950 -5.275 3.256 1.00 0.00 N ATOM 858 CA LYS A 50 3.993 -5.417 4.382 1.00 0.00 C ATOM 859 C LYS A 50 2.734 -4.612 4.064 1.00 0.00 C ATOM 860 O LYS A 50 2.616 -3.456 4.421 1.00 0.00 O ATOM 861 CB LYS A 50 4.716 -4.843 5.599 1.00 0.00 C ATOM 862 CG LYS A 50 4.002 -5.299 6.868 1.00 0.00 C ATOM 863 CD LYS A 50 4.760 -6.476 7.485 1.00 0.00 C ATOM 864 CE LYS A 50 3.898 -7.737 7.406 1.00 0.00 C ATOM 865 NZ LYS A 50 3.049 -7.698 8.629 1.00 0.00 N ATOM 0 H LYS A 50 5.098 -4.319 2.934 1.00 0.00 H new ATOM 0 HA LYS A 50 3.689 -6.449 4.558 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.754 -5.177 5.611 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.732 -3.754 5.548 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.944 -4.476 7.581 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.978 -5.593 6.636 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.701 -6.633 6.958 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.009 -6.258 8.523 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.289 -7.743 6.502 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.514 -8.636 7.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.428 -8.532 8.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.656 -7.700 9.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.469 -6.835 8.622 1.00 0.00 H new ATOM 879 N VAL A 51 1.797 -5.205 3.372 1.00 0.00 N ATOM 880 CA VAL A 51 0.562 -4.453 3.018 1.00 0.00 C ATOM 881 C VAL A 51 -0.665 -5.058 3.693 1.00 0.00 C ATOM 882 O VAL A 51 -0.881 -6.253 3.672 1.00 0.00 O ATOM 883 CB VAL A 51 0.452 -4.554 1.472 1.00 0.00 C ATOM 884 CG1 VAL A 51 -1.006 -4.738 1.014 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.969 -3.270 0.842 1.00 0.00 C ATOM 0 H VAL A 51 1.834 -6.169 3.040 1.00 0.00 H new ATOM 0 HA VAL A 51 0.611 -3.418 3.355 1.00 0.00 H new ATOM 0 HB VAL A 51 1.039 -5.418 1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.040 -4.804 -0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.410 -5.653 1.446 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.601 -3.887 1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.892 -3.340 -0.243 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.374 -2.427 1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.012 -3.121 1.123 1.00 0.00 H new ATOM 895 N ASP A 52 -1.509 -4.222 4.215 1.00 0.00 N ATOM 896 CA ASP A 52 -2.764 -4.728 4.802 1.00 0.00 C ATOM 897 C ASP A 52 -3.714 -4.940 3.629 1.00 0.00 C ATOM 898 O ASP A 52 -4.657 -4.197 3.449 1.00 0.00 O ATOM 899 CB ASP A 52 -3.264 -3.612 5.723 1.00 0.00 C ATOM 900 CG ASP A 52 -4.029 -4.220 6.901 1.00 0.00 C ATOM 901 OD1 ASP A 52 -4.878 -5.063 6.659 1.00 0.00 O ATOM 902 OD2 ASP A 52 -3.753 -3.831 8.024 1.00 0.00 O ATOM 0 H ASP A 52 -1.381 -3.211 4.259 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.666 -5.656 5.365 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.422 -3.024 6.088 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.911 -2.932 5.169 1.00 0.00 H new ATOM 907 N VAL A 53 -3.422 -5.921 2.796 1.00 0.00 N ATOM 908 CA VAL A 53 -4.256 -6.186 1.572 1.00 0.00 C ATOM 909 C VAL A 53 -5.746 -5.935 1.848 1.00 0.00 C ATOM 910 O VAL A 53 -6.476 -5.533 0.967 1.00 0.00 O ATOM 911 CB VAL A 53 -3.955 -7.647 1.137 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.731 -8.557 2.348 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.108 -8.212 0.295 1.00 0.00 C ATOM 0 H VAL A 53 -2.632 -6.555 2.915 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.003 -5.503 0.761 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.043 -7.622 0.540 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.523 -9.571 2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.885 -8.189 2.929 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.625 -8.560 2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.876 -9.236 0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.026 -8.202 0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.241 -7.600 -0.597 1.00 0.00 H new ATOM 923 N GLU A 54 -6.201 -6.124 3.056 1.00 0.00 N ATOM 924 CA GLU A 54 -7.631 -5.836 3.337 1.00 0.00 C ATOM 925 C GLU A 54 -7.888 -4.355 3.063 1.00 0.00 C ATOM 926 O GLU A 54 -8.791 -3.993 2.334 1.00 0.00 O ATOM 927 CB GLU A 54 -7.834 -6.169 4.818 1.00 0.00 C ATOM 928 CG GLU A 54 -9.234 -5.732 5.258 1.00 0.00 C ATOM 929 CD GLU A 54 -9.703 -6.613 6.417 1.00 0.00 C ATOM 930 OE1 GLU A 54 -8.903 -6.872 7.300 1.00 0.00 O ATOM 931 OE2 GLU A 54 -10.855 -7.013 6.401 1.00 0.00 O ATOM 0 H GLU A 54 -5.653 -6.460 3.848 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.316 -6.414 2.717 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.709 -7.240 4.980 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.079 -5.665 5.421 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.220 -4.686 5.565 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.930 -5.810 4.423 1.00 0.00 H new ATOM 938 N ARG A 55 -7.076 -3.499 3.614 1.00 0.00 N ATOM 939 CA ARG A 55 -7.241 -2.045 3.362 1.00 0.00 C ATOM 940 C ARG A 55 -6.711 -1.728 1.965 1.00 0.00 C ATOM 941 O ARG A 55 -7.271 -0.937 1.240 1.00 0.00 O ATOM 942 CB ARG A 55 -6.396 -1.350 4.430 1.00 0.00 C ATOM 943 CG ARG A 55 -7.136 -1.383 5.766 1.00 0.00 C ATOM 944 CD ARG A 55 -8.346 -0.447 5.707 1.00 0.00 C ATOM 945 NE ARG A 55 -7.780 0.888 5.356 1.00 0.00 N ATOM 946 CZ ARG A 55 -8.563 1.875 4.987 1.00 0.00 C ATOM 947 NH1 ARG A 55 -9.860 1.713 4.903 1.00 0.00 N ATOM 948 NH2 ARG A 55 -8.041 3.035 4.699 1.00 0.00 N ATOM 0 H ARG A 55 -6.302 -3.746 4.231 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.280 -1.719 3.410 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.430 -1.846 4.525 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.197 -0.319 4.138 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.461 -2.400 5.988 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.467 -1.079 6.571 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.067 -0.779 4.960 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.869 -0.416 6.663 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.772 1.036 5.403 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.277 0.809 5.126 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.453 2.491 4.615 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.032 3.170 4.761 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.642 3.807 4.411 1.00 0.00 H new ATOM 962 N ALA A 56 -5.652 -2.373 1.564 1.00 0.00 N ATOM 963 CA ALA A 56 -5.120 -2.134 0.205 1.00 0.00 C ATOM 964 C ALA A 56 -6.160 -2.637 -0.800 1.00 0.00 C ATOM 965 O ALA A 56 -6.173 -2.241 -1.948 1.00 0.00 O ATOM 966 CB ALA A 56 -3.806 -2.923 0.143 1.00 0.00 C ATOM 0 H ALA A 56 -5.136 -3.054 2.122 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.930 -1.086 -0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.350 -2.795 -0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.124 -2.556 0.910 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.008 -3.980 0.314 1.00 0.00 H new ATOM 972 N ARG A 57 -7.063 -3.489 -0.360 1.00 0.00 N ATOM 973 CA ARG A 57 -8.118 -3.981 -1.275 1.00 0.00 C ATOM 974 C ARG A 57 -9.332 -3.042 -1.212 1.00 0.00 C ATOM 975 O ARG A 57 -10.117 -2.963 -2.134 1.00 0.00 O ATOM 976 CB ARG A 57 -8.483 -5.380 -0.776 1.00 0.00 C ATOM 977 CG ARG A 57 -9.588 -5.966 -1.659 1.00 0.00 C ATOM 978 CD ARG A 57 -10.077 -7.285 -1.057 1.00 0.00 C ATOM 979 NE ARG A 57 -9.779 -8.315 -2.094 1.00 0.00 N ATOM 980 CZ ARG A 57 -10.495 -8.390 -3.193 1.00 0.00 C ATOM 981 NH1 ARG A 57 -11.499 -7.574 -3.400 1.00 0.00 N ATOM 982 NH2 ARG A 57 -10.202 -9.291 -4.092 1.00 0.00 N ATOM 0 H ARG A 57 -7.105 -3.856 0.591 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.785 -4.011 -2.312 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.605 -6.026 -0.798 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.818 -5.332 0.260 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.416 -5.262 -1.739 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.212 -6.132 -2.668 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.564 -7.506 -0.121 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.143 -7.246 -0.834 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.010 -8.969 -1.948 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.734 -6.868 -2.703 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.045 -7.645 -4.258 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.422 -9.930 -3.938 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.753 -9.356 -4.948 1.00 0.00 H new ATOM 996 N TYR A 58 -9.467 -2.305 -0.134 1.00 0.00 N ATOM 997 CA TYR A 58 -10.594 -1.342 -0.006 1.00 0.00 C ATOM 998 C TYR A 58 -10.430 -0.314 -1.103 1.00 0.00 C ATOM 999 O TYR A 58 -11.338 0.033 -1.832 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.374 -0.688 1.368 1.00 0.00 C ATOM 1001 CG TYR A 58 -11.015 0.691 1.442 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.277 0.905 0.880 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.344 1.752 2.077 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.873 2.170 0.947 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.943 3.016 2.145 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.209 3.225 1.582 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.800 4.470 1.651 1.00 0.00 O ATOM 0 H TYR A 58 -8.836 -2.334 0.667 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.584 -1.791 -0.087 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.792 -1.326 2.146 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.305 -0.604 1.565 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.794 0.092 0.392 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.368 1.592 2.511 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.846 2.332 0.508 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.428 3.831 2.632 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.206 5.088 2.126 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.243 0.167 -1.184 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.900 1.188 -2.183 1.00 0.00 C ATOM 1019 C TRP A 59 -9.026 0.606 -3.575 1.00 0.00 C ATOM 1020 O TRP A 59 -9.785 1.083 -4.393 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.477 1.567 -1.815 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.579 2.320 -0.540 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -7.109 1.939 0.671 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.266 3.566 -0.340 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.436 2.919 1.597 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -8.161 3.943 1.014 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.952 4.401 -1.220 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.732 5.126 1.482 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.531 5.587 -0.761 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.422 5.952 0.587 1.00 0.00 C ATOM 0 H TRP A 59 -8.470 -0.113 -0.581 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.553 2.061 -2.186 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.854 0.681 -1.697 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -7.020 2.177 -2.594 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.571 1.027 0.881 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.175 2.888 2.583 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -9.037 4.130 -2.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.643 5.402 2.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.065 6.225 -1.449 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.870 6.871 0.936 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.337 -0.459 -3.841 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.478 -1.104 -5.174 1.00 0.00 C ATOM 1043 C LEU A 60 -9.966 -1.383 -5.423 1.00 0.00 C ATOM 1044 O LEU A 60 -10.408 -1.514 -6.548 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.681 -2.406 -5.085 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.197 -2.108 -5.306 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.394 -3.405 -5.199 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.002 -1.500 -6.697 1.00 0.00 C ATOM 0 H LEU A 60 -7.685 -0.912 -3.200 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.112 -0.484 -5.993 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.829 -2.870 -4.110 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.036 -3.115 -5.833 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.851 -1.404 -4.549 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.337 -3.192 -5.357 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.533 -3.839 -4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.739 -4.110 -5.955 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.945 -1.287 -6.856 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.348 -2.204 -7.454 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.574 -0.575 -6.773 1.00 0.00 H new ATOM 1060 N SER A 61 -10.748 -1.458 -4.367 1.00 0.00 N ATOM 1061 CA SER A 61 -12.202 -1.706 -4.531 1.00 0.00 C ATOM 1062 C SER A 61 -12.936 -0.395 -4.847 1.00 0.00 C ATOM 1063 O SER A 61 -14.037 -0.406 -5.360 1.00 0.00 O ATOM 1064 CB SER A 61 -12.672 -2.274 -3.193 1.00 0.00 C ATOM 1065 OG SER A 61 -12.658 -3.695 -3.254 1.00 0.00 O ATOM 0 H SER A 61 -10.432 -1.357 -3.402 1.00 0.00 H new ATOM 0 HA SER A 61 -12.407 -2.391 -5.354 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.023 -1.927 -2.389 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.677 -1.918 -2.967 1.00 0.00 H new ATOM 0 HG SER A 61 -11.804 -4.029 -2.907 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.341 0.738 -4.553 1.00 0.00 N ATOM 1072 CA VAL A 62 -13.022 2.022 -4.854 1.00 0.00 C ATOM 1073 C VAL A 62 -12.477 2.591 -6.164 1.00 0.00 C ATOM 1074 O VAL A 62 -12.382 3.788 -6.352 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.725 2.968 -3.668 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -12.941 2.249 -2.334 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.280 3.485 -3.729 1.00 0.00 C ATOM 0 H VAL A 62 -11.421 0.821 -4.121 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.098 1.895 -4.975 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.412 3.811 -3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.726 2.933 -1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.976 1.913 -2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.275 1.388 -2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.095 4.149 -2.884 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.590 2.642 -3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.128 4.032 -4.660 1.00 0.00 H new ATOM 1087 N GLY A 63 -12.119 1.727 -7.066 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.576 2.185 -8.374 1.00 0.00 C ATOM 1089 C GLY A 63 -10.169 2.756 -8.180 1.00 0.00 C ATOM 1090 O GLY A 63 -9.715 3.580 -8.949 1.00 0.00 O ATOM 0 H GLY A 63 -12.179 0.715 -6.955 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.547 1.353 -9.077 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.230 2.943 -8.804 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.471 2.331 -7.159 1.00 0.00 N ATOM 1095 CA ALA A 64 -8.100 2.865 -6.933 1.00 0.00 C ATOM 1096 C ALA A 64 -7.130 2.294 -7.972 1.00 0.00 C ATOM 1097 O ALA A 64 -6.973 1.097 -8.097 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.713 2.413 -5.526 1.00 0.00 C ATOM 0 H ALA A 64 -9.790 1.642 -6.478 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.064 3.950 -7.029 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.711 2.772 -5.291 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.422 2.820 -4.805 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.729 1.324 -5.476 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.482 3.145 -8.719 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.524 2.655 -9.751 1.00 0.00 C ATOM 1106 C GLN A 65 -4.105 2.581 -9.166 1.00 0.00 C ATOM 1107 O GLN A 65 -3.540 3.593 -8.799 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.589 3.698 -10.868 1.00 0.00 C ATOM 1109 CG GLN A 65 -6.978 3.672 -11.510 1.00 0.00 C ATOM 1110 CD GLN A 65 -6.870 4.070 -12.983 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -6.194 5.022 -13.319 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -7.514 3.377 -13.882 1.00 0.00 N ATOM 0 H GLN A 65 -6.574 4.159 -8.660 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.772 1.655 -10.107 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.381 4.690 -10.467 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.826 3.491 -11.618 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.411 2.676 -11.423 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.645 4.357 -10.986 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.081 2.578 -13.600 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.450 3.635 -14.867 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.568 1.385 -9.091 1.00 0.00 N ATOM 1122 CA PRO A 66 -2.204 1.209 -8.544 1.00 0.00 C ATOM 1123 C PRO A 66 -1.158 1.554 -9.610 1.00 0.00 C ATOM 1124 O PRO A 66 -1.412 1.449 -10.793 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.146 -0.275 -8.201 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.142 -0.932 -9.106 1.00 0.00 C ATOM 1127 CD PRO A 66 -4.166 0.105 -9.496 1.00 0.00 C ATOM 0 HA PRO A 66 -1.999 1.851 -7.687 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.145 -0.676 -8.361 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.394 -0.446 -7.154 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.648 -1.332 -9.991 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.621 -1.771 -8.601 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.366 0.082 -10.567 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.116 -0.066 -8.991 1.00 0.00 H new ATOM 1135 N THR A 67 0.016 1.958 -9.206 1.00 0.00 N ATOM 1136 CA THR A 67 1.070 2.297 -10.210 1.00 0.00 C ATOM 1137 C THR A 67 1.676 1.013 -10.786 1.00 0.00 C ATOM 1138 O THR A 67 1.466 -0.065 -10.273 1.00 0.00 O ATOM 1139 CB THR A 67 2.133 3.101 -9.450 1.00 0.00 C ATOM 1140 OG1 THR A 67 2.029 2.848 -8.055 1.00 0.00 O ATOM 1141 CG2 THR A 67 1.928 4.594 -9.716 1.00 0.00 C ATOM 0 H THR A 67 0.292 2.068 -8.230 1.00 0.00 H new ATOM 0 HA THR A 67 0.665 2.868 -11.046 1.00 0.00 H new ATOM 0 HB THR A 67 3.123 2.800 -9.793 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.804 3.233 -7.594 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.683 5.167 -9.177 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.019 4.789 -10.784 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.936 4.891 -9.377 1.00 0.00 H new ATOM 1149 N ASP A 68 2.420 1.120 -11.852 1.00 0.00 N ATOM 1150 CA ASP A 68 3.030 -0.098 -12.463 1.00 0.00 C ATOM 1151 C ASP A 68 3.916 -0.833 -11.452 1.00 0.00 C ATOM 1152 O ASP A 68 4.088 -2.034 -11.521 1.00 0.00 O ATOM 1153 CB ASP A 68 3.870 0.426 -13.630 1.00 0.00 C ATOM 1154 CG ASP A 68 3.576 -0.397 -14.886 1.00 0.00 C ATOM 1155 OD1 ASP A 68 2.456 -0.866 -15.013 1.00 0.00 O ATOM 1156 OD2 ASP A 68 4.473 -0.544 -15.697 1.00 0.00 O ATOM 0 H ASP A 68 2.633 1.997 -12.327 1.00 0.00 H new ATOM 0 HA ASP A 68 2.273 -0.813 -12.786 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.644 1.477 -13.811 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.930 0.366 -13.384 1.00 0.00 H new ATOM 1161 N THR A 69 4.485 -0.124 -10.518 1.00 0.00 N ATOM 1162 CA THR A 69 5.367 -0.781 -9.507 1.00 0.00 C ATOM 1163 C THR A 69 4.583 -1.089 -8.231 1.00 0.00 C ATOM 1164 O THR A 69 4.677 -2.166 -7.675 1.00 0.00 O ATOM 1165 CB THR A 69 6.440 0.253 -9.220 1.00 0.00 C ATOM 1166 OG1 THR A 69 7.213 0.475 -10.391 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.349 -0.218 -8.080 1.00 0.00 C ATOM 0 H THR A 69 4.379 0.885 -10.409 1.00 0.00 H new ATOM 0 HA THR A 69 5.774 -1.727 -9.864 1.00 0.00 H new ATOM 0 HB THR A 69 5.959 1.184 -8.919 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.904 1.144 -10.205 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.112 0.536 -7.888 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.754 -0.370 -7.179 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.828 -1.156 -8.361 1.00 0.00 H new ATOM 1175 N ALA A 70 3.804 -0.153 -7.766 1.00 0.00 N ATOM 1176 CA ALA A 70 3.019 -0.399 -6.537 1.00 0.00 C ATOM 1177 C ALA A 70 2.009 -1.491 -6.830 1.00 0.00 C ATOM 1178 O ALA A 70 1.630 -2.256 -5.967 1.00 0.00 O ATOM 1179 CB ALA A 70 2.320 0.922 -6.229 1.00 0.00 C ATOM 0 H ALA A 70 3.681 0.768 -8.187 1.00 0.00 H new ATOM 0 HA ALA A 70 3.629 -0.719 -5.692 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.718 0.813 -5.327 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.066 1.701 -6.075 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.676 1.196 -7.064 1.00 0.00 H new ATOM 1185 N ARG A 71 1.597 -1.594 -8.063 1.00 0.00 N ATOM 1186 CA ARG A 71 0.650 -2.658 -8.422 1.00 0.00 C ATOM 1187 C ARG A 71 1.394 -3.973 -8.295 1.00 0.00 C ATOM 1188 O ARG A 71 0.879 -4.955 -7.797 1.00 0.00 O ATOM 1189 CB ARG A 71 0.254 -2.390 -9.878 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.560 -3.567 -10.426 1.00 0.00 C ATOM 1191 CD ARG A 71 -0.571 -3.509 -11.956 1.00 0.00 C ATOM 1192 NE ARG A 71 -1.988 -3.217 -12.321 1.00 0.00 N ATOM 1193 CZ ARG A 71 -2.901 -4.159 -12.282 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -2.595 -5.382 -11.928 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -4.134 -3.874 -12.602 1.00 0.00 N ATOM 0 H ARG A 71 1.881 -0.983 -8.829 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.239 -2.690 -7.792 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.331 -1.472 -9.941 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.147 -2.241 -10.485 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.128 -4.510 -10.090 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.579 -3.528 -10.042 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.100 -2.734 -12.326 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.238 -4.452 -12.389 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.250 -2.273 -12.605 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.634 -5.615 -11.677 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.317 -6.102 -11.903 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.382 -2.925 -12.880 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.849 -4.601 -12.574 1.00 0.00 H new ATOM 1209 N ARG A 72 2.628 -3.980 -8.721 1.00 0.00 N ATOM 1210 CA ARG A 72 3.433 -5.212 -8.615 1.00 0.00 C ATOM 1211 C ARG A 72 3.676 -5.521 -7.131 1.00 0.00 C ATOM 1212 O ARG A 72 4.060 -6.614 -6.767 1.00 0.00 O ATOM 1213 CB ARG A 72 4.722 -4.881 -9.404 1.00 0.00 C ATOM 1214 CG ARG A 72 5.983 -5.400 -8.702 1.00 0.00 C ATOM 1215 CD ARG A 72 6.026 -6.927 -8.781 1.00 0.00 C ATOM 1216 NE ARG A 72 7.029 -7.228 -9.843 1.00 0.00 N ATOM 1217 CZ ARG A 72 7.611 -8.402 -9.908 1.00 0.00 C ATOM 1218 NH1 ARG A 72 7.315 -9.349 -9.053 1.00 0.00 N ATOM 1219 NH2 ARG A 72 8.494 -8.631 -10.840 1.00 0.00 N ATOM 0 H ARG A 72 3.107 -3.181 -9.137 1.00 0.00 H new ATOM 0 HA ARG A 72 2.962 -6.107 -9.021 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.658 -5.318 -10.401 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.799 -3.801 -9.534 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.872 -4.977 -9.170 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.989 -5.080 -7.660 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.318 -7.364 -7.826 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.048 -7.337 -9.033 1.00 0.00 H new ATOM 0 HE ARG A 72 7.266 -6.511 -10.529 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.623 -9.179 -8.323 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.776 -10.256 -9.117 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.728 -7.900 -11.512 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.951 -9.541 -10.897 1.00 0.00 H new ATOM 1233 N LEU A 73 3.440 -4.566 -6.273 1.00 0.00 N ATOM 1234 CA LEU A 73 3.632 -4.808 -4.831 1.00 0.00 C ATOM 1235 C LEU A 73 2.283 -5.100 -4.196 1.00 0.00 C ATOM 1236 O LEU A 73 2.185 -5.853 -3.246 1.00 0.00 O ATOM 1237 CB LEU A 73 4.246 -3.522 -4.275 1.00 0.00 C ATOM 1238 CG LEU A 73 5.559 -3.231 -5.003 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.912 -1.750 -4.858 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.673 -4.080 -4.393 1.00 0.00 C ATOM 0 H LEU A 73 3.122 -3.628 -6.518 1.00 0.00 H new ATOM 0 HA LEU A 73 4.279 -5.661 -4.625 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.554 -2.690 -4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.426 -3.625 -3.205 1.00 0.00 H new ATOM 0 HG LEU A 73 5.448 -3.473 -6.060 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.848 -1.546 -5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.117 -1.142 -5.291 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.023 -1.504 -3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.611 -3.875 -4.909 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.780 -3.835 -3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.424 -5.136 -4.497 1.00 0.00 H new ATOM 1252 N LEU A 74 1.233 -4.553 -4.738 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.104 -4.854 -4.185 1.00 0.00 C ATOM 1254 C LEU A 74 -0.449 -6.283 -4.588 1.00 0.00 C ATOM 1255 O LEU A 74 -1.160 -6.986 -3.902 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.056 -3.844 -4.826 1.00 0.00 C ATOM 1257 CG LEU A 74 -0.738 -2.447 -4.297 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -1.293 -1.396 -5.259 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -1.382 -2.266 -2.920 1.00 0.00 C ATOM 0 H LEU A 74 1.247 -3.916 -5.534 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.161 -4.779 -3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.953 -3.867 -5.911 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.089 -4.105 -4.598 1.00 0.00 H new ATOM 0 HG LEU A 74 0.342 -2.328 -4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.065 -0.400 -4.880 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.837 -1.524 -6.241 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.373 -1.514 -5.343 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.156 -1.269 -2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.462 -2.386 -3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.987 -3.014 -2.232 1.00 0.00 H new ATOM 1271 N ARG A 75 0.096 -6.728 -5.691 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.154 -8.116 -6.136 1.00 0.00 C ATOM 1273 C ARG A 75 0.741 -9.045 -5.316 1.00 0.00 C ATOM 1274 O ARG A 75 0.410 -10.184 -5.054 1.00 0.00 O ATOM 1275 CB ARG A 75 0.203 -8.134 -7.634 1.00 0.00 C ATOM 1276 CG ARG A 75 1.720 -8.157 -7.828 1.00 0.00 C ATOM 1277 CD ARG A 75 2.222 -9.603 -7.777 1.00 0.00 C ATOM 1278 NE ARG A 75 3.388 -9.640 -8.708 1.00 0.00 N ATOM 1279 CZ ARG A 75 3.213 -9.699 -10.008 1.00 0.00 C ATOM 1280 NH1 ARG A 75 2.010 -9.732 -10.527 1.00 0.00 N ATOM 1281 NH2 ARG A 75 4.252 -9.723 -10.796 1.00 0.00 N ATOM 0 H ARG A 75 0.705 -6.181 -6.300 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.182 -8.449 -5.995 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.243 -9.008 -8.109 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.218 -7.256 -8.124 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.981 -7.704 -8.784 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.205 -7.565 -7.052 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.516 -9.883 -6.765 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.446 -10.302 -8.089 1.00 0.00 H new ATOM 0 HE ARG A 75 4.335 -9.619 -8.329 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.191 -9.712 -9.919 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.892 -9.778 -11.539 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.192 -9.696 -10.401 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.124 -9.769 -11.807 1.00 0.00 H new ATOM 1295 N GLN A 76 1.876 -8.543 -4.900 1.00 0.00 N ATOM 1296 CA GLN A 76 2.797 -9.359 -4.087 1.00 0.00 C ATOM 1297 C GLN A 76 2.308 -9.386 -2.656 1.00 0.00 C ATOM 1298 O GLN A 76 2.388 -10.381 -1.965 1.00 0.00 O ATOM 1299 CB GLN A 76 4.129 -8.640 -4.208 1.00 0.00 C ATOM 1300 CG GLN A 76 5.258 -9.556 -3.744 1.00 0.00 C ATOM 1301 CD GLN A 76 5.993 -10.112 -4.965 1.00 0.00 C ATOM 1302 OE1 GLN A 76 7.173 -10.394 -4.902 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.339 -10.285 -6.085 1.00 0.00 N ATOM 0 H GLN A 76 2.197 -7.595 -5.096 1.00 0.00 H new ATOM 0 HA GLN A 76 2.870 -10.397 -4.411 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.296 -8.337 -5.242 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.117 -7.730 -3.608 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.951 -9.005 -3.108 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.856 -10.373 -3.144 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.348 -10.049 -6.139 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.820 -10.656 -6.904 1.00 0.00 H new ATOM 1312 N ALA A 77 1.767 -8.296 -2.226 1.00 0.00 N ATOM 1313 CA ALA A 77 1.219 -8.226 -0.848 1.00 0.00 C ATOM 1314 C ALA A 77 0.155 -9.314 -0.661 1.00 0.00 C ATOM 1315 O ALA A 77 -0.198 -9.665 0.447 1.00 0.00 O ATOM 1316 CB ALA A 77 0.589 -6.840 -0.742 1.00 0.00 C ATOM 0 H ALA A 77 1.677 -7.439 -2.771 1.00 0.00 H new ATOM 0 HA ALA A 77 1.982 -8.383 -0.086 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.160 -6.710 0.252 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.352 -6.080 -0.910 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.196 -6.739 -1.492 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.357 -9.854 -1.740 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.392 -10.918 -1.626 1.00 0.00 C ATOM 1324 C GLY A 78 -2.765 -10.361 -2.016 1.00 0.00 C ATOM 1325 O GLY A 78 -3.786 -10.948 -1.713 1.00 0.00 O ATOM 0 H GLY A 78 -0.100 -9.601 -2.694 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.135 -11.757 -2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.422 -11.299 -0.605 1.00 0.00 H new ATOM 1329 N VAL A 79 -2.809 -9.237 -2.684 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.127 -8.667 -3.078 1.00 0.00 C ATOM 1331 C VAL A 79 -4.644 -9.342 -4.354 1.00 0.00 C ATOM 1332 O VAL A 79 -5.668 -9.995 -4.346 1.00 0.00 O ATOM 1333 CB VAL A 79 -3.889 -7.180 -3.318 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.233 -6.483 -3.535 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.191 -6.555 -2.105 1.00 0.00 C ATOM 0 H VAL A 79 -1.994 -8.694 -2.971 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.878 -8.829 -2.305 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.257 -7.058 -4.198 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.068 -5.419 -3.707 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.732 -6.917 -4.401 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.858 -6.615 -2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.026 -5.493 -2.287 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.817 -6.678 -1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.233 -7.048 -1.942 1.00 0.00 H new