USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 806 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 SER OG : rot 73:sc= 0.938 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.338 USER MOD Single : A 9 LYS NZ :NH3+ -163:sc= 0.931 (180deg=0.716) USER MOD Single : A 25 THR OG1 : rot 76:sc= 1.21 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -131:sc= 2.31 (180deg=-0.852) USER MOD Single : A 46 LYS NZ :NH3+ 149:sc= 1.28 (180deg=0.852) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 3 SER OG : rot 69:sc= 1.07 USER MOD Single : B 4 THR OG1 : rot 180:sc= -0.649 USER MOD Single : B 9 LYS NZ :NH3+ -155:sc= 1.08 (180deg=0.874) USER MOD Single : B 25 THR OG1 : rot 52:sc= 1.3 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ -167:sc= 0.843 (180deg=0.461) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 -2.121 -12.609 -3.056 1.00 0.48 N ATOM 43 CA SER A 3 -2.050 -11.281 -3.647 1.00 0.40 C ATOM 44 C SER A 3 -2.959 -11.237 -4.865 1.00 0.40 C ATOM 45 O SER A 3 -3.718 -12.176 -5.099 1.00 0.46 O ATOM 46 CB SER A 3 -0.610 -10.955 -4.057 1.00 0.41 C ATOM 47 OG SER A 3 0.233 -10.865 -2.923 1.00 0.44 O ATOM 0 HA SER A 3 -2.374 -10.540 -2.916 1.00 0.40 H new ATOM 0 HB2 SER A 3 -0.237 -11.726 -4.732 1.00 0.41 H new ATOM 0 HB3 SER A 3 -0.589 -10.014 -4.606 1.00 0.41 H new ATOM 0 HG SER A 3 0.388 -11.761 -2.559 1.00 0.44 H new ATOM 53 N THR A 4 -2.873 -10.159 -5.632 1.00 0.37 N ATOM 54 CA THR A 4 -3.646 -10.019 -6.853 1.00 0.37 C ATOM 55 C THR A 4 -5.147 -9.996 -6.561 1.00 0.37 C ATOM 56 O THR A 4 -5.858 -10.990 -6.731 1.00 0.48 O ATOM 57 CB THR A 4 -3.315 -11.134 -7.864 1.00 0.39 C ATOM 58 OG1 THR A 4 -1.906 -11.137 -8.129 1.00 0.35 O ATOM 59 CG2 THR A 4 -4.076 -10.921 -9.159 1.00 0.45 C ATOM 0 H THR A 4 -2.269 -9.363 -5.425 1.00 0.37 H new ATOM 0 HA THR A 4 -3.368 -9.064 -7.299 1.00 0.37 H new ATOM 0 HB THR A 4 -3.611 -12.093 -7.439 1.00 0.39 H new ATOM 0 HG1 THR A 4 -1.695 -11.847 -8.771 1.00 0.35 H new ATOM 0 HG21 THR A 4 -3.830 -11.718 -9.861 1.00 0.45 H new ATOM 0 HG22 THR A 4 -5.147 -10.933 -8.958 1.00 0.45 H new ATOM 0 HG23 THR A 4 -3.798 -9.959 -9.590 1.00 0.45 H new ATOM 67 N GLY A 5 -5.605 -8.867 -6.052 1.00 0.31 N ATOM 68 CA GLY A 5 -7.015 -8.671 -5.849 1.00 0.30 C ATOM 69 C GLY A 5 -7.465 -9.251 -4.535 1.00 0.28 C ATOM 70 O GLY A 5 -8.570 -9.779 -4.423 1.00 0.32 O ATOM 0 H GLY A 5 -5.019 -8.080 -5.775 1.00 0.31 H new ATOM 0 HA2 GLY A 5 -7.244 -7.606 -5.876 1.00 0.30 H new ATOM 0 HA3 GLY A 5 -7.570 -9.137 -6.663 1.00 0.30 H new ATOM 74 N ILE A 6 -6.604 -9.147 -3.537 1.00 0.27 N ATOM 75 CA ILE A 6 -6.907 -9.686 -2.225 1.00 0.28 C ATOM 76 C ILE A 6 -7.261 -8.553 -1.273 1.00 0.27 C ATOM 77 O ILE A 6 -6.583 -7.529 -1.227 1.00 0.40 O ATOM 78 CB ILE A 6 -5.746 -10.524 -1.640 1.00 0.34 C ATOM 79 CG1 ILE A 6 -6.183 -11.142 -0.313 1.00 0.38 C ATOM 80 CG2 ILE A 6 -4.486 -9.684 -1.460 1.00 0.35 C ATOM 81 CD1 ILE A 6 -7.148 -12.294 -0.480 1.00 0.49 C ATOM 0 H ILE A 6 -5.692 -8.695 -3.611 1.00 0.27 H new ATOM 0 HA ILE A 6 -7.757 -10.358 -2.341 1.00 0.28 H new ATOM 0 HB ILE A 6 -5.503 -11.320 -2.344 1.00 0.34 H new ATOM 0 HG12 ILE A 6 -5.302 -11.490 0.226 1.00 0.38 H new ATOM 0 HG13 ILE A 6 -6.649 -10.373 0.302 1.00 0.38 H new ATOM 0 HG21 ILE A 6 -3.691 -10.305 -1.047 1.00 0.35 H new ATOM 0 HG22 ILE A 6 -4.172 -9.287 -2.425 1.00 0.35 H new ATOM 0 HG23 ILE A 6 -4.693 -8.859 -0.779 1.00 0.35 H new ATOM 0 HD11 ILE A 6 -7.418 -12.687 0.500 1.00 0.49 H new ATOM 0 HD12 ILE A 6 -8.045 -11.946 -0.991 1.00 0.49 H new ATOM 0 HD13 ILE A 6 -6.677 -13.081 -1.069 1.00 0.49 H new ATOM 93 N VAL A 7 -8.318 -8.736 -0.516 1.00 0.24 N ATOM 94 CA VAL A 7 -8.842 -7.676 0.323 1.00 0.24 C ATOM 95 C VAL A 7 -8.149 -7.652 1.693 1.00 0.27 C ATOM 96 O VAL A 7 -8.075 -8.670 2.385 1.00 0.34 O ATOM 97 CB VAL A 7 -10.368 -7.825 0.491 1.00 0.30 C ATOM 98 CG1 VAL A 7 -10.738 -9.177 1.094 1.00 0.37 C ATOM 99 CG2 VAL A 7 -10.911 -6.697 1.332 1.00 0.34 C ATOM 0 H VAL A 7 -8.836 -9.613 -0.462 1.00 0.24 H new ATOM 0 HA VAL A 7 -8.636 -6.727 -0.171 1.00 0.24 H new ATOM 0 HB VAL A 7 -10.822 -7.776 -0.499 1.00 0.30 H new ATOM 0 HG11 VAL A 7 -11.821 -9.245 1.197 1.00 0.37 H new ATOM 0 HG12 VAL A 7 -10.385 -9.975 0.441 1.00 0.37 H new ATOM 0 HG13 VAL A 7 -10.273 -9.277 2.075 1.00 0.37 H new ATOM 0 HG21 VAL A 7 -11.989 -6.813 1.444 1.00 0.34 H new ATOM 0 HG22 VAL A 7 -10.440 -6.717 2.315 1.00 0.34 H new ATOM 0 HG23 VAL A 7 -10.697 -5.745 0.846 1.00 0.34 H new ATOM 109 N ARG A 8 -7.606 -6.495 2.060 1.00 0.26 N ATOM 110 CA ARG A 8 -6.965 -6.307 3.358 1.00 0.32 C ATOM 111 C ARG A 8 -7.607 -5.149 4.119 1.00 0.27 C ATOM 112 O ARG A 8 -8.192 -4.256 3.510 1.00 0.22 O ATOM 113 CB ARG A 8 -5.469 -6.039 3.182 1.00 0.40 C ATOM 114 CG ARG A 8 -4.616 -7.292 3.256 1.00 0.53 C ATOM 115 CD ARG A 8 -4.769 -8.155 2.018 1.00 0.54 C ATOM 116 NE ARG A 8 -3.865 -9.306 2.041 1.00 0.76 N ATOM 117 CZ ARG A 8 -4.146 -10.467 2.640 1.00 1.02 C ATOM 118 NH1 ARG A 8 -5.295 -10.635 3.277 1.00 1.96 N ATOM 119 NH2 ARG A 8 -3.274 -11.464 2.611 1.00 1.11 N ATOM 0 H ARG A 8 -7.598 -5.664 1.469 1.00 0.26 H new ATOM 0 HA ARG A 8 -7.100 -7.223 3.934 1.00 0.32 H new ATOM 0 HB2 ARG A 8 -5.306 -5.554 2.219 1.00 0.40 H new ATOM 0 HB3 ARG A 8 -5.140 -5.340 3.951 1.00 0.40 H new ATOM 0 HG2 ARG A 8 -3.569 -7.012 3.376 1.00 0.53 H new ATOM 0 HG3 ARG A 8 -4.895 -7.869 4.138 1.00 0.53 H new ATOM 0 HD2 ARG A 8 -5.799 -8.504 1.943 1.00 0.54 H new ATOM 0 HD3 ARG A 8 -4.570 -7.555 1.130 1.00 0.54 H new ATOM 0 HE ARG A 8 -2.964 -9.216 1.570 1.00 0.76 H new ATOM 0 HH11 ARG A 8 -5.974 -9.875 3.313 1.00 1.96 H new ATOM 0 HH12 ARG A 8 -5.501 -11.525 3.731 1.00 1.96 H new ATOM 0 HH21 ARG A 8 -2.382 -11.348 2.130 1.00 1.11 H new ATOM 0 HH22 ARG A 8 -3.494 -12.348 3.070 1.00 1.11 H new ATOM 133 N LYS A 9 -7.491 -5.170 5.443 1.00 0.31 N ATOM 134 CA LYS A 9 -8.015 -4.095 6.286 1.00 0.27 C ATOM 135 C LYS A 9 -7.020 -2.939 6.331 1.00 0.23 C ATOM 136 O LYS A 9 -5.848 -3.116 5.986 1.00 0.26 O ATOM 137 CB LYS A 9 -8.265 -4.608 7.709 1.00 0.30 C ATOM 138 CG LYS A 9 -9.255 -5.763 7.807 1.00 1.16 C ATOM 139 CD LYS A 9 -10.707 -5.298 7.804 1.00 0.84 C ATOM 140 CE LYS A 9 -11.181 -4.867 6.425 1.00 0.59 C ATOM 141 NZ LYS A 9 -12.627 -4.522 6.426 1.00 0.73 N ATOM 0 H LYS A 9 -7.037 -5.923 5.960 1.00 0.31 H new ATOM 0 HA LYS A 9 -8.957 -3.748 5.862 1.00 0.27 H new ATOM 0 HB2 LYS A 9 -7.315 -4.925 8.138 1.00 0.30 H new ATOM 0 HB3 LYS A 9 -8.630 -3.782 8.319 1.00 0.30 H new ATOM 0 HG2 LYS A 9 -9.095 -6.445 6.972 1.00 1.16 H new ATOM 0 HG3 LYS A 9 -9.060 -6.326 8.720 1.00 1.16 H new ATOM 0 HD2 LYS A 9 -11.344 -6.105 8.167 1.00 0.84 H new ATOM 0 HD3 LYS A 9 -10.819 -4.466 8.499 1.00 0.84 H new ATOM 0 HE2 LYS A 9 -10.601 -4.006 6.093 1.00 0.59 H new ATOM 0 HE3 LYS A 9 -10.998 -5.669 5.710 1.00 0.59 H new ATOM 0 HZ1 LYS A 9 -12.983 -4.514 5.449 1.00 0.73 H new ATOM 0 HZ2 LYS A 9 -13.152 -5.229 6.980 1.00 0.73 H new ATOM 0 HZ3 LYS A 9 -12.759 -3.582 6.850 1.00 0.73 H new ATOM 155 N VAL A 10 -7.475 -1.758 6.746 1.00 0.20 N ATOM 156 CA VAL A 10 -6.582 -0.618 6.867 1.00 0.21 C ATOM 157 C VAL A 10 -5.877 -0.639 8.228 1.00 0.24 C ATOM 158 O VAL A 10 -5.041 -1.508 8.492 1.00 0.44 O ATOM 159 CB VAL A 10 -7.313 0.742 6.686 1.00 0.20 C ATOM 160 CG1 VAL A 10 -6.330 1.841 6.318 1.00 0.22 C ATOM 161 CG2 VAL A 10 -8.429 0.654 5.655 1.00 0.20 C ATOM 0 H VAL A 10 -8.445 -1.571 7.000 1.00 0.20 H new ATOM 0 HA VAL A 10 -5.852 -0.708 6.063 1.00 0.21 H new ATOM 0 HB VAL A 10 -7.770 0.992 7.643 1.00 0.20 H new ATOM 0 HG11 VAL A 10 -6.866 2.783 6.197 1.00 0.22 H new ATOM 0 HG12 VAL A 10 -5.588 1.945 7.109 1.00 0.22 H new ATOM 0 HG13 VAL A 10 -5.831 1.585 5.384 1.00 0.22 H new ATOM 0 HG21 VAL A 10 -8.914 1.626 5.560 1.00 0.20 H new ATOM 0 HG22 VAL A 10 -8.012 0.360 4.692 1.00 0.20 H new ATOM 0 HG23 VAL A 10 -9.162 -0.087 5.974 1.00 0.20 H new ATOM 171 N ASP A 11 -6.262 0.290 9.102 1.00 0.24 N ATOM 172 CA ASP A 11 -5.621 0.481 10.406 1.00 0.23 C ATOM 173 C ASP A 11 -6.267 1.662 11.105 1.00 0.24 C ATOM 174 O ASP A 11 -7.069 1.503 12.021 1.00 0.24 O ATOM 175 CB ASP A 11 -4.118 0.740 10.230 1.00 0.40 C ATOM 176 CG ASP A 11 -3.394 1.068 11.524 1.00 0.61 C ATOM 177 OD1 ASP A 11 -3.524 0.299 12.496 1.00 1.15 O ATOM 178 OD2 ASP A 11 -2.664 2.084 11.551 1.00 1.32 O ATOM 0 H ASP A 11 -7.032 0.936 8.926 1.00 0.24 H new ATOM 0 HA ASP A 11 -5.749 -0.420 11.006 1.00 0.23 H new ATOM 0 HB2 ASP A 11 -3.658 -0.140 9.781 1.00 0.40 H new ATOM 0 HB3 ASP A 11 -3.981 1.564 9.530 1.00 0.40 H new ATOM 183 N GLU A 12 -5.924 2.848 10.629 1.00 0.30 N ATOM 184 CA GLU A 12 -6.562 4.083 11.051 1.00 0.33 C ATOM 185 C GLU A 12 -6.288 5.170 10.037 1.00 0.31 C ATOM 186 O GLU A 12 -7.105 5.452 9.160 1.00 0.35 O ATOM 187 CB GLU A 12 -6.083 4.549 12.437 1.00 0.39 C ATOM 188 CG GLU A 12 -4.674 4.120 12.806 1.00 0.43 C ATOM 189 CD GLU A 12 -4.238 4.670 14.150 1.00 0.56 C ATOM 190 OE1 GLU A 12 -3.897 5.871 14.221 1.00 1.08 O ATOM 191 OE2 GLU A 12 -4.255 3.918 15.144 1.00 1.39 O ATOM 0 H GLU A 12 -5.190 2.981 9.934 1.00 0.30 H new ATOM 0 HA GLU A 12 -7.632 3.886 11.121 1.00 0.33 H new ATOM 0 HB2 GLU A 12 -6.138 5.637 12.477 1.00 0.39 H new ATOM 0 HB3 GLU A 12 -6.772 4.167 13.190 1.00 0.39 H new ATOM 0 HG2 GLU A 12 -4.622 3.031 12.827 1.00 0.43 H new ATOM 0 HG3 GLU A 12 -3.980 4.457 12.036 1.00 0.43 H new ATOM 198 N LEU A 13 -5.106 5.744 10.148 1.00 0.31 N ATOM 199 CA LEU A 13 -4.692 6.839 9.296 1.00 0.32 C ATOM 200 C LEU A 13 -4.493 6.375 7.852 1.00 0.35 C ATOM 201 O LEU A 13 -4.769 7.121 6.916 1.00 0.60 O ATOM 202 CB LEU A 13 -3.417 7.488 9.850 1.00 0.37 C ATOM 203 CG LEU A 13 -2.104 6.717 9.645 1.00 0.43 C ATOM 204 CD1 LEU A 13 -0.923 7.588 10.041 1.00 0.54 C ATOM 205 CD2 LEU A 13 -2.089 5.426 10.451 1.00 0.43 C ATOM 0 H LEU A 13 -4.405 5.463 10.833 1.00 0.31 H new ATOM 0 HA LEU A 13 -5.485 7.587 9.289 1.00 0.32 H new ATOM 0 HB2 LEU A 13 -3.309 8.471 9.392 1.00 0.37 H new ATOM 0 HB3 LEU A 13 -3.554 7.648 10.919 1.00 0.37 H new ATOM 0 HG LEU A 13 -2.027 6.458 8.589 1.00 0.43 H new ATOM 0 HD11 LEU A 13 0.004 7.034 9.893 1.00 0.54 H new ATOM 0 HD12 LEU A 13 -0.911 8.487 9.425 1.00 0.54 H new ATOM 0 HD13 LEU A 13 -1.014 7.869 11.090 1.00 0.54 H new ATOM 0 HD21 LEU A 13 -1.147 4.904 10.284 1.00 0.43 H new ATOM 0 HD22 LEU A 13 -2.193 5.658 11.511 1.00 0.43 H new ATOM 0 HD23 LEU A 13 -2.917 4.791 10.136 1.00 0.43 H new ATOM 217 N GLY A 14 -4.054 5.129 7.669 1.00 0.20 N ATOM 218 CA GLY A 14 -3.838 4.628 6.322 1.00 0.24 C ATOM 219 C GLY A 14 -2.991 3.375 6.261 1.00 0.22 C ATOM 220 O GLY A 14 -2.990 2.697 5.245 1.00 0.34 O ATOM 0 H GLY A 14 -3.847 4.468 8.418 1.00 0.20 H new ATOM 0 HA2 GLY A 14 -4.805 4.424 5.862 1.00 0.24 H new ATOM 0 HA3 GLY A 14 -3.360 5.407 5.728 1.00 0.24 H new ATOM 224 N ARG A 15 -2.277 3.062 7.337 1.00 0.15 N ATOM 225 CA ARG A 15 -1.366 1.916 7.344 1.00 0.17 C ATOM 226 C ARG A 15 -2.067 0.629 6.911 1.00 0.16 C ATOM 227 O ARG A 15 -2.806 0.029 7.681 1.00 0.18 O ATOM 228 CB ARG A 15 -0.758 1.722 8.729 1.00 0.20 C ATOM 229 CG ARG A 15 0.747 1.615 8.710 1.00 0.23 C ATOM 230 CD ARG A 15 1.303 1.579 10.114 1.00 0.29 C ATOM 231 NE ARG A 15 2.752 1.710 10.136 1.00 0.59 N ATOM 232 CZ ARG A 15 3.422 2.277 11.135 1.00 0.78 C ATOM 233 NH1 ARG A 15 2.765 2.763 12.183 1.00 0.82 N ATOM 234 NH2 ARG A 15 4.745 2.365 11.084 1.00 1.26 N ATOM 0 H ARG A 15 -2.309 3.582 8.214 1.00 0.15 H new ATOM 0 HA ARG A 15 -0.575 2.132 6.625 1.00 0.17 H new ATOM 0 HB2 ARG A 15 -1.048 2.558 9.366 1.00 0.20 H new ATOM 0 HB3 ARG A 15 -1.174 0.820 9.178 1.00 0.20 H new ATOM 0 HG2 ARG A 15 1.045 0.714 8.174 1.00 0.23 H new ATOM 0 HG3 ARG A 15 1.169 2.462 8.169 1.00 0.23 H new ATOM 0 HD2 ARG A 15 0.858 2.384 10.700 1.00 0.29 H new ATOM 0 HD3 ARG A 15 1.018 0.642 10.592 1.00 0.29 H new ATOM 0 HE ARG A 15 3.282 1.348 9.343 1.00 0.59 H new ATOM 0 HH11 ARG A 15 1.748 2.701 12.221 1.00 0.82 H new ATOM 0 HH12 ARG A 15 3.278 3.198 12.950 1.00 0.82 H new ATOM 0 HH21 ARG A 15 5.250 1.997 10.278 1.00 1.26 H new ATOM 0 HH22 ARG A 15 5.257 2.800 11.851 1.00 1.26 H new ATOM 248 N VAL A 16 -1.827 0.214 5.678 1.00 0.16 N ATOM 249 CA VAL A 16 -2.424 -1.006 5.157 1.00 0.16 C ATOM 250 C VAL A 16 -1.441 -2.166 5.298 1.00 0.16 C ATOM 251 O VAL A 16 -0.234 -1.997 5.106 1.00 0.15 O ATOM 252 CB VAL A 16 -2.851 -0.848 3.678 1.00 0.17 C ATOM 253 CG1 VAL A 16 -1.648 -0.579 2.790 1.00 1.04 C ATOM 254 CG2 VAL A 16 -3.614 -2.076 3.204 1.00 0.97 C ATOM 0 H VAL A 16 -1.223 0.704 5.018 1.00 0.16 H new ATOM 0 HA VAL A 16 -3.321 -1.215 5.740 1.00 0.16 H new ATOM 0 HB VAL A 16 -3.516 0.012 3.608 1.00 0.17 H new ATOM 0 HG11 VAL A 16 -1.976 -0.472 1.756 1.00 1.04 H new ATOM 0 HG12 VAL A 16 -1.156 0.339 3.112 1.00 1.04 H new ATOM 0 HG13 VAL A 16 -0.948 -1.411 2.864 1.00 1.04 H new ATOM 0 HG21 VAL A 16 -3.905 -1.944 2.162 1.00 0.97 H new ATOM 0 HG22 VAL A 16 -2.978 -2.957 3.295 1.00 0.97 H new ATOM 0 HG23 VAL A 16 -4.506 -2.208 3.816 1.00 0.97 H new ATOM 264 N VAL A 17 -1.957 -3.331 5.662 1.00 0.17 N ATOM 265 CA VAL A 17 -1.117 -4.491 5.911 1.00 0.18 C ATOM 266 C VAL A 17 -0.663 -5.139 4.604 1.00 0.19 C ATOM 267 O VAL A 17 -1.430 -5.846 3.947 1.00 0.25 O ATOM 268 CB VAL A 17 -1.849 -5.547 6.765 1.00 0.21 C ATOM 269 CG1 VAL A 17 -0.934 -6.722 7.072 1.00 0.23 C ATOM 270 CG2 VAL A 17 -2.387 -4.933 8.046 1.00 0.22 C ATOM 0 H VAL A 17 -2.955 -3.497 5.791 1.00 0.17 H new ATOM 0 HA VAL A 17 -0.245 -4.132 6.458 1.00 0.18 H new ATOM 0 HB VAL A 17 -2.696 -5.918 6.188 1.00 0.21 H new ATOM 0 HG11 VAL A 17 -1.471 -7.454 7.675 1.00 0.23 H new ATOM 0 HG12 VAL A 17 -0.612 -7.186 6.140 1.00 0.23 H new ATOM 0 HG13 VAL A 17 -0.061 -6.370 7.622 1.00 0.23 H new ATOM 0 HG21 VAL A 17 -2.898 -5.699 8.630 1.00 0.22 H new ATOM 0 HG22 VAL A 17 -1.561 -4.524 8.628 1.00 0.22 H new ATOM 0 HG23 VAL A 17 -3.088 -4.135 7.801 1.00 0.22 H new ATOM 280 N ILE A 18 0.578 -4.868 4.226 1.00 0.17 N ATOM 281 CA ILE A 18 1.189 -5.501 3.066 1.00 0.21 C ATOM 282 C ILE A 18 1.492 -6.965 3.363 1.00 0.17 C ATOM 283 O ILE A 18 2.089 -7.281 4.394 1.00 0.18 O ATOM 284 CB ILE A 18 2.503 -4.799 2.665 1.00 0.30 C ATOM 285 CG1 ILE A 18 2.254 -3.326 2.330 1.00 0.36 C ATOM 286 CG2 ILE A 18 3.153 -5.511 1.490 1.00 0.39 C ATOM 287 CD1 ILE A 18 1.430 -3.100 1.074 1.00 0.62 C ATOM 0 H ILE A 18 1.186 -4.208 4.711 1.00 0.17 H new ATOM 0 HA ILE A 18 0.479 -5.421 2.243 1.00 0.21 H new ATOM 0 HB ILE A 18 3.184 -4.844 3.515 1.00 0.30 H new ATOM 0 HG12 ILE A 18 1.747 -2.855 3.172 1.00 0.36 H new ATOM 0 HG13 ILE A 18 3.215 -2.824 2.215 1.00 0.36 H new ATOM 0 HG21 ILE A 18 4.078 -5.001 1.222 1.00 0.39 H new ATOM 0 HG22 ILE A 18 3.374 -6.542 1.766 1.00 0.39 H new ATOM 0 HG23 ILE A 18 2.474 -5.501 0.638 1.00 0.39 H new ATOM 0 HD11 ILE A 18 1.301 -2.030 0.911 1.00 0.62 H new ATOM 0 HD12 ILE A 18 1.943 -3.538 0.218 1.00 0.62 H new ATOM 0 HD13 ILE A 18 0.453 -3.569 1.190 1.00 0.62 H new ATOM 299 N PRO A 19 1.055 -7.872 2.476 1.00 0.22 N ATOM 300 CA PRO A 19 1.375 -9.298 2.558 1.00 0.24 C ATOM 301 C PRO A 19 2.847 -9.573 2.849 1.00 0.23 C ATOM 302 O PRO A 19 3.739 -8.920 2.294 1.00 0.20 O ATOM 303 CB PRO A 19 1.037 -9.795 1.167 1.00 0.28 C ATOM 304 CG PRO A 19 -0.108 -8.944 0.755 1.00 0.31 C ATOM 305 CD PRO A 19 0.171 -7.582 1.332 1.00 0.29 C ATOM 0 HA PRO A 19 0.832 -9.781 3.370 1.00 0.24 H new ATOM 0 HB2 PRO A 19 1.882 -9.686 0.487 1.00 0.28 H new ATOM 0 HB3 PRO A 19 0.768 -10.851 1.174 1.00 0.28 H new ATOM 0 HG2 PRO A 19 -0.193 -8.900 -0.331 1.00 0.31 H new ATOM 0 HG3 PRO A 19 -1.049 -9.344 1.132 1.00 0.31 H new ATOM 0 HD2 PRO A 19 0.655 -6.929 0.606 1.00 0.29 H new ATOM 0 HD3 PRO A 19 -0.745 -7.084 1.648 1.00 0.29 H new ATOM 313 N ILE A 20 3.091 -10.553 3.706 1.00 0.28 N ATOM 314 CA ILE A 20 4.446 -10.979 4.029 1.00 0.30 C ATOM 315 C ILE A 20 5.200 -11.395 2.767 1.00 0.29 C ATOM 316 O ILE A 20 6.398 -11.161 2.650 1.00 0.28 O ATOM 317 CB ILE A 20 4.447 -12.142 5.051 1.00 0.37 C ATOM 318 CG1 ILE A 20 5.876 -12.643 5.301 1.00 0.43 C ATOM 319 CG2 ILE A 20 3.549 -13.279 4.574 1.00 0.41 C ATOM 320 CD1 ILE A 20 5.965 -13.762 6.316 1.00 0.86 C ATOM 0 H ILE A 20 2.362 -11.073 4.194 1.00 0.28 H new ATOM 0 HA ILE A 20 4.954 -10.127 4.481 1.00 0.30 H new ATOM 0 HB ILE A 20 4.049 -11.768 5.994 1.00 0.37 H new ATOM 0 HG12 ILE A 20 6.300 -12.987 4.358 1.00 0.43 H new ATOM 0 HG13 ILE A 20 6.489 -11.808 5.641 1.00 0.43 H new ATOM 0 HG21 ILE A 20 3.564 -14.086 5.306 1.00 0.41 H new ATOM 0 HG22 ILE A 20 2.529 -12.913 4.458 1.00 0.41 H new ATOM 0 HG23 ILE A 20 3.912 -13.652 3.616 1.00 0.41 H new ATOM 0 HD11 ILE A 20 7.006 -14.061 6.438 1.00 0.86 H new ATOM 0 HD12 ILE A 20 5.572 -13.418 7.273 1.00 0.86 H new ATOM 0 HD13 ILE A 20 5.381 -14.615 5.970 1.00 0.86 H new ATOM 332 N GLU A 21 4.482 -11.961 1.803 1.00 0.32 N ATOM 333 CA GLU A 21 5.090 -12.408 0.555 1.00 0.33 C ATOM 334 C GLU A 21 5.452 -11.215 -0.318 1.00 0.29 C ATOM 335 O GLU A 21 6.381 -11.275 -1.123 1.00 0.29 O ATOM 336 CB GLU A 21 4.132 -13.333 -0.195 1.00 0.39 C ATOM 337 CG GLU A 21 2.811 -12.674 -0.565 1.00 0.50 C ATOM 338 CD GLU A 21 1.839 -13.634 -1.212 1.00 0.99 C ATOM 339 OE1 GLU A 21 1.709 -14.773 -0.720 1.00 1.49 O ATOM 340 OE2 GLU A 21 1.206 -13.258 -2.220 1.00 1.73 O ATOM 0 H GLU A 21 3.476 -12.121 1.862 1.00 0.32 H new ATOM 0 HA GLU A 21 6.002 -12.957 0.791 1.00 0.33 H new ATOM 0 HB2 GLU A 21 4.619 -13.686 -1.104 1.00 0.39 H new ATOM 0 HB3 GLU A 21 3.931 -14.210 0.420 1.00 0.39 H new ATOM 0 HG2 GLU A 21 2.356 -12.253 0.332 1.00 0.50 H new ATOM 0 HG3 GLU A 21 3.002 -11.844 -1.245 1.00 0.50 H new ATOM 347 N LEU A 22 4.754 -10.110 -0.110 1.00 0.26 N ATOM 348 CA LEU A 22 4.959 -8.935 -0.923 1.00 0.24 C ATOM 349 C LEU A 22 6.168 -8.173 -0.412 1.00 0.21 C ATOM 350 O LEU A 22 7.081 -7.852 -1.172 1.00 0.22 O ATOM 351 CB LEU A 22 3.711 -8.059 -0.919 1.00 0.24 C ATOM 352 CG LEU A 22 2.533 -8.603 -1.729 1.00 0.31 C ATOM 353 CD1 LEU A 22 1.546 -7.496 -2.043 1.00 0.31 C ATOM 354 CD2 LEU A 22 3.017 -9.280 -3.002 1.00 0.44 C ATOM 0 H LEU A 22 4.043 -10.008 0.615 1.00 0.26 H new ATOM 0 HA LEU A 22 5.146 -9.235 -1.954 1.00 0.24 H new ATOM 0 HB2 LEU A 22 3.388 -7.918 0.113 1.00 0.24 H new ATOM 0 HB3 LEU A 22 3.975 -7.075 -1.307 1.00 0.24 H new ATOM 0 HG LEU A 22 2.021 -9.353 -1.126 1.00 0.31 H new ATOM 0 HD11 LEU A 22 0.715 -7.902 -2.620 1.00 0.31 H new ATOM 0 HD12 LEU A 22 1.169 -7.070 -1.113 1.00 0.31 H new ATOM 0 HD13 LEU A 22 2.044 -6.718 -2.622 1.00 0.31 H new ATOM 0 HD21 LEU A 22 2.161 -9.659 -3.561 1.00 0.44 H new ATOM 0 HD22 LEU A 22 3.560 -8.559 -3.614 1.00 0.44 H new ATOM 0 HD23 LEU A 22 3.678 -10.108 -2.745 1.00 0.44 H new ATOM 366 N ARG A 23 6.212 -7.960 0.896 1.00 0.20 N ATOM 367 CA ARG A 23 7.350 -7.294 1.510 1.00 0.19 C ATOM 368 C ARG A 23 8.589 -8.163 1.336 1.00 0.19 C ATOM 369 O ARG A 23 9.696 -7.661 1.171 1.00 0.20 O ATOM 370 CB ARG A 23 7.099 -7.030 2.997 1.00 0.22 C ATOM 371 CG ARG A 23 6.589 -8.242 3.764 1.00 0.32 C ATOM 372 CD ARG A 23 6.897 -8.117 5.240 1.00 0.63 C ATOM 373 NE ARG A 23 6.159 -9.075 6.064 1.00 0.95 N ATOM 374 CZ ARG A 23 6.603 -9.553 7.228 1.00 1.24 C ATOM 375 NH1 ARG A 23 7.853 -9.313 7.615 1.00 1.52 N ATOM 376 NH2 ARG A 23 5.805 -10.299 7.988 1.00 1.92 N ATOM 0 H ARG A 23 5.478 -8.237 1.548 1.00 0.20 H new ATOM 0 HA ARG A 23 7.500 -6.331 1.021 1.00 0.19 H new ATOM 0 HB2 ARG A 23 8.026 -6.686 3.456 1.00 0.22 H new ATOM 0 HB3 ARG A 23 6.376 -6.220 3.095 1.00 0.22 H new ATOM 0 HG2 ARG A 23 5.513 -8.342 3.620 1.00 0.32 H new ATOM 0 HG3 ARG A 23 7.049 -9.148 3.368 1.00 0.32 H new ATOM 0 HD2 ARG A 23 7.966 -8.261 5.395 1.00 0.63 H new ATOM 0 HD3 ARG A 23 6.661 -7.105 5.570 1.00 0.63 H new ATOM 0 HE ARG A 23 5.251 -9.397 5.729 1.00 0.95 H new ATOM 0 HH11 ARG A 23 8.474 -8.763 7.022 1.00 1.52 H new ATOM 0 HH12 ARG A 23 8.191 -9.679 8.505 1.00 1.52 H new ATOM 0 HH21 ARG A 23 4.855 -10.505 7.681 1.00 1.92 H new ATOM 0 HH22 ARG A 23 6.144 -10.665 8.878 1.00 1.92 H new ATOM 390 N ARG A 24 8.371 -9.477 1.365 1.00 0.21 N ATOM 391 CA ARG A 24 9.412 -10.456 1.095 1.00 0.23 C ATOM 392 C ARG A 24 9.943 -10.298 -0.319 1.00 0.23 C ATOM 393 O ARG A 24 11.146 -10.388 -0.552 1.00 0.23 O ATOM 394 CB ARG A 24 8.857 -11.849 1.285 1.00 0.29 C ATOM 395 CG ARG A 24 9.887 -12.936 1.124 1.00 0.38 C ATOM 396 CD ARG A 24 9.224 -14.266 0.829 1.00 0.90 C ATOM 397 NE ARG A 24 8.395 -14.718 1.942 1.00 1.56 N ATOM 398 CZ ARG A 24 7.201 -15.290 1.804 1.00 2.17 C ATOM 399 NH1 ARG A 24 6.677 -15.473 0.597 1.00 2.19 N ATOM 400 NH2 ARG A 24 6.526 -15.674 2.878 1.00 2.94 N ATOM 0 H ARG A 24 7.463 -9.890 1.578 1.00 0.21 H new ATOM 0 HA ARG A 24 10.235 -10.294 1.791 1.00 0.23 H new ATOM 0 HB2 ARG A 24 8.416 -11.923 2.279 1.00 0.29 H new ATOM 0 HB3 ARG A 24 8.054 -12.012 0.567 1.00 0.29 H new ATOM 0 HG2 ARG A 24 10.571 -12.678 0.315 1.00 0.38 H new ATOM 0 HG3 ARG A 24 10.483 -13.016 2.033 1.00 0.38 H new ATOM 0 HD2 ARG A 24 8.611 -14.175 -0.067 1.00 0.90 H new ATOM 0 HD3 ARG A 24 9.988 -15.014 0.618 1.00 0.90 H new ATOM 0 HE ARG A 24 8.754 -14.587 2.888 1.00 1.56 H new ATOM 0 HH11 ARG A 24 7.190 -15.174 -0.232 1.00 2.19 H new ATOM 0 HH12 ARG A 24 5.762 -15.912 0.500 1.00 2.19 H new ATOM 0 HH21 ARG A 24 6.922 -15.531 3.807 1.00 2.94 H new ATOM 0 HH22 ARG A 24 5.611 -16.113 2.775 1.00 2.94 H new ATOM 414 N THR A 25 9.040 -10.045 -1.257 1.00 0.24 N ATOM 415 CA THR A 25 9.425 -9.807 -2.648 1.00 0.26 C ATOM 416 C THR A 25 10.327 -8.581 -2.754 1.00 0.23 C ATOM 417 O THR A 25 11.305 -8.571 -3.503 1.00 0.24 O ATOM 418 CB THR A 25 8.184 -9.590 -3.538 1.00 0.29 C ATOM 419 OG1 THR A 25 7.347 -10.756 -3.510 1.00 0.34 O ATOM 420 CG2 THR A 25 8.586 -9.286 -4.970 1.00 0.33 C ATOM 0 H THR A 25 8.036 -9.999 -1.084 1.00 0.24 H new ATOM 0 HA THR A 25 9.963 -10.690 -2.992 1.00 0.26 H new ATOM 0 HB THR A 25 7.632 -8.736 -3.145 1.00 0.29 H new ATOM 0 HG1 THR A 25 6.856 -10.786 -2.663 1.00 0.34 H new ATOM 0 HG21 THR A 25 7.692 -9.138 -5.575 1.00 0.33 H new ATOM 0 HG22 THR A 25 9.194 -8.382 -4.993 1.00 0.33 H new ATOM 0 HG23 THR A 25 9.161 -10.120 -5.371 1.00 0.33 H new ATOM 428 N LEU A 26 10.016 -7.569 -1.959 1.00 0.20 N ATOM 429 CA LEU A 26 10.723 -6.299 -2.037 1.00 0.20 C ATOM 430 C LEU A 26 11.959 -6.345 -1.152 1.00 0.20 C ATOM 431 O LEU A 26 12.818 -5.465 -1.211 1.00 0.22 O ATOM 432 CB LEU A 26 9.822 -5.155 -1.576 1.00 0.20 C ATOM 433 CG LEU A 26 8.327 -5.351 -1.819 1.00 0.21 C ATOM 434 CD1 LEU A 26 7.537 -4.190 -1.251 1.00 0.22 C ATOM 435 CD2 LEU A 26 8.023 -5.548 -3.303 1.00 0.26 C ATOM 0 H LEU A 26 9.280 -7.602 -1.253 1.00 0.20 H new ATOM 0 HA LEU A 26 11.014 -6.129 -3.074 1.00 0.20 H new ATOM 0 HB2 LEU A 26 9.981 -4.999 -0.509 1.00 0.20 H new ATOM 0 HB3 LEU A 26 10.137 -4.242 -2.082 1.00 0.20 H new ATOM 0 HG LEU A 26 8.021 -6.259 -1.300 1.00 0.21 H new ATOM 0 HD11 LEU A 26 6.474 -4.349 -1.434 1.00 0.22 H new ATOM 0 HD12 LEU A 26 7.714 -4.120 -0.178 1.00 0.22 H new ATOM 0 HD13 LEU A 26 7.854 -3.264 -1.732 1.00 0.22 H new ATOM 0 HD21 LEU A 26 6.950 -5.685 -3.440 1.00 0.26 H new ATOM 0 HD22 LEU A 26 8.351 -4.671 -3.861 1.00 0.26 H new ATOM 0 HD23 LEU A 26 8.550 -6.429 -3.669 1.00 0.26 H new ATOM 447 N GLY A 27 12.037 -7.391 -0.337 1.00 0.20 N ATOM 448 CA GLY A 27 13.100 -7.512 0.639 1.00 0.23 C ATOM 449 C GLY A 27 13.037 -6.431 1.702 1.00 0.24 C ATOM 450 O GLY A 27 14.053 -6.081 2.309 1.00 0.28 O ATOM 0 H GLY A 27 11.373 -8.165 -0.337 1.00 0.20 H new ATOM 0 HA2 GLY A 27 13.042 -8.490 1.116 1.00 0.23 H new ATOM 0 HA3 GLY A 27 14.063 -7.462 0.131 1.00 0.23 H new ATOM 454 N ILE A 28 11.843 -5.905 1.934 1.00 0.24 N ATOM 455 CA ILE A 28 11.661 -4.829 2.891 1.00 0.25 C ATOM 456 C ILE A 28 10.983 -5.318 4.161 1.00 0.22 C ATOM 457 O ILE A 28 10.423 -6.418 4.203 1.00 0.22 O ATOM 458 CB ILE A 28 10.809 -3.680 2.321 1.00 0.31 C ATOM 459 CG1 ILE A 28 9.401 -4.181 1.986 1.00 0.32 C ATOM 460 CG2 ILE A 28 11.477 -3.070 1.096 1.00 0.37 C ATOM 461 CD1 ILE A 28 8.357 -3.093 2.045 1.00 0.43 C ATOM 0 H ILE A 28 10.986 -6.208 1.471 1.00 0.24 H new ATOM 0 HA ILE A 28 12.664 -4.465 3.114 1.00 0.25 H new ATOM 0 HB ILE A 28 10.725 -2.900 3.078 1.00 0.31 H new ATOM 0 HG12 ILE A 28 9.405 -4.619 0.988 1.00 0.32 H new ATOM 0 HG13 ILE A 28 9.129 -4.975 2.681 1.00 0.32 H new ATOM 0 HG21 ILE A 28 10.858 -2.260 0.709 1.00 0.37 H new ATOM 0 HG22 ILE A 28 12.456 -2.678 1.373 1.00 0.37 H new ATOM 0 HG23 ILE A 28 11.596 -3.834 0.328 1.00 0.37 H new ATOM 0 HD11 ILE A 28 7.381 -3.511 1.798 1.00 0.43 H new ATOM 0 HD12 ILE A 28 8.327 -2.671 3.050 1.00 0.43 H new ATOM 0 HD13 ILE A 28 8.607 -2.309 1.330 1.00 0.43 H new ATOM 473 N ALA A 29 11.025 -4.469 5.178 1.00 0.22 N ATOM 474 CA ALA A 29 10.377 -4.723 6.455 1.00 0.23 C ATOM 475 C ALA A 29 10.565 -3.531 7.363 1.00 0.23 C ATOM 476 O ALA A 29 11.527 -2.786 7.209 1.00 0.26 O ATOM 477 CB ALA A 29 10.936 -5.972 7.119 1.00 0.25 C ATOM 0 H ALA A 29 11.515 -3.575 5.138 1.00 0.22 H new ATOM 0 HA ALA A 29 9.314 -4.885 6.274 1.00 0.23 H new ATOM 0 HB1 ALA A 29 10.431 -6.135 8.071 1.00 0.25 H new ATOM 0 HB2 ALA A 29 10.773 -6.833 6.470 1.00 0.25 H new ATOM 0 HB3 ALA A 29 12.005 -5.845 7.292 1.00 0.25 H new ATOM 483 N GLU A 30 9.618 -3.363 8.279 1.00 0.25 N ATOM 484 CA GLU A 30 9.651 -2.353 9.331 1.00 0.28 C ATOM 485 C GLU A 30 10.348 -1.035 8.969 1.00 0.30 C ATOM 486 O GLU A 30 9.711 -0.095 8.497 1.00 0.32 O ATOM 487 CB GLU A 30 10.264 -2.942 10.602 1.00 0.32 C ATOM 488 CG GLU A 30 11.428 -3.895 10.370 1.00 0.35 C ATOM 489 CD GLU A 30 12.126 -4.268 11.660 1.00 0.49 C ATOM 490 OE1 GLU A 30 11.639 -5.180 12.362 1.00 1.10 O ATOM 491 OE2 GLU A 30 13.155 -3.643 11.984 1.00 1.22 O ATOM 0 H GLU A 30 8.780 -3.944 8.311 1.00 0.25 H new ATOM 0 HA GLU A 30 8.608 -2.079 9.489 1.00 0.28 H new ATOM 0 HB2 GLU A 30 10.604 -2.124 11.237 1.00 0.32 H new ATOM 0 HB3 GLU A 30 9.485 -3.470 11.153 1.00 0.32 H new ATOM 0 HG2 GLU A 30 11.064 -4.799 9.881 1.00 0.35 H new ATOM 0 HG3 GLU A 30 12.145 -3.432 9.691 1.00 0.35 H new ATOM 498 N LYS A 31 11.649 -0.975 9.210 1.00 0.32 N ATOM 499 CA LYS A 31 12.414 0.259 9.091 1.00 0.38 C ATOM 500 C LYS A 31 12.724 0.624 7.641 1.00 0.35 C ATOM 501 O LYS A 31 13.342 1.659 7.380 1.00 0.40 O ATOM 502 CB LYS A 31 13.702 0.132 9.879 1.00 0.47 C ATOM 503 CG LYS A 31 13.485 -0.298 11.317 1.00 0.57 C ATOM 504 CD LYS A 31 12.707 0.750 12.087 1.00 0.67 C ATOM 505 CE LYS A 31 11.255 0.347 12.287 1.00 0.67 C ATOM 506 NZ LYS A 31 10.529 1.316 13.147 1.00 0.85 N ATOM 0 H LYS A 31 12.206 -1.781 9.494 1.00 0.32 H new ATOM 0 HA LYS A 31 11.800 1.064 9.496 1.00 0.38 H new ATOM 0 HB2 LYS A 31 14.352 -0.590 9.385 1.00 0.47 H new ATOM 0 HB3 LYS A 31 14.223 1.090 9.868 1.00 0.47 H new ATOM 0 HG2 LYS A 31 12.946 -1.245 11.339 1.00 0.57 H new ATOM 0 HG3 LYS A 31 14.448 -0.468 11.799 1.00 0.57 H new ATOM 0 HD2 LYS A 31 13.176 0.910 13.058 1.00 0.67 H new ATOM 0 HD3 LYS A 31 12.750 1.699 11.553 1.00 0.67 H new ATOM 0 HE2 LYS A 31 10.760 0.278 11.318 1.00 0.67 H new ATOM 0 HE3 LYS A 31 11.211 -0.644 12.739 1.00 0.67 H new ATOM 0 HZ1 LYS A 31 9.542 1.008 13.261 1.00 0.85 H new ATOM 0 HZ2 LYS A 31 10.987 1.363 14.080 1.00 0.85 H new ATOM 0 HZ3 LYS A 31 10.549 2.257 12.704 1.00 0.85 H new ATOM 520 N ASP A 32 12.286 -0.197 6.695 1.00 0.27 N ATOM 521 CA ASP A 32 12.567 0.069 5.292 1.00 0.24 C ATOM 522 C ASP A 32 11.583 1.074 4.735 1.00 0.22 C ATOM 523 O ASP A 32 10.655 1.502 5.423 1.00 0.23 O ATOM 524 CB ASP A 32 12.546 -1.204 4.446 1.00 0.23 C ATOM 525 CG ASP A 32 13.934 -1.772 4.218 1.00 0.55 C ATOM 526 OD1 ASP A 32 14.717 -1.153 3.465 1.00 0.94 O ATOM 527 OD2 ASP A 32 14.255 -2.832 4.791 1.00 1.54 O ATOM 0 H ASP A 32 11.742 -1.042 6.871 1.00 0.27 H new ATOM 0 HA ASP A 32 13.575 0.482 5.242 1.00 0.24 H new ATOM 0 HB2 ASP A 32 11.926 -1.954 4.938 1.00 0.23 H new ATOM 0 HB3 ASP A 32 12.082 -0.989 3.483 1.00 0.23 H new ATOM 532 N ALA A 33 11.805 1.476 3.501 1.00 0.21 N ATOM 533 CA ALA A 33 10.957 2.472 2.881 1.00 0.20 C ATOM 534 C ALA A 33 10.347 1.986 1.577 1.00 0.20 C ATOM 535 O ALA A 33 10.906 1.131 0.885 1.00 0.21 O ATOM 536 CB ALA A 33 11.755 3.739 2.648 1.00 0.23 C ATOM 0 H ALA A 33 12.561 1.131 2.910 1.00 0.21 H new ATOM 0 HA ALA A 33 10.129 2.672 3.561 1.00 0.20 H new ATOM 0 HB1 ALA A 33 11.118 4.490 2.181 1.00 0.23 H new ATOM 0 HB2 ALA A 33 12.123 4.118 3.602 1.00 0.23 H new ATOM 0 HB3 ALA A 33 12.599 3.522 1.993 1.00 0.23 H new ATOM 542 N LEU A 34 9.191 2.544 1.261 1.00 0.20 N ATOM 543 CA LEU A 34 8.511 2.273 0.012 1.00 0.20 C ATOM 544 C LEU A 34 8.349 3.570 -0.760 1.00 0.20 C ATOM 545 O LEU A 34 8.284 4.651 -0.175 1.00 0.22 O ATOM 546 CB LEU A 34 7.126 1.657 0.249 1.00 0.23 C ATOM 547 CG LEU A 34 7.096 0.248 0.847 1.00 0.46 C ATOM 548 CD1 LEU A 34 7.330 0.292 2.349 1.00 1.15 C ATOM 549 CD2 LEU A 34 5.769 -0.427 0.535 1.00 0.67 C ATOM 0 H LEU A 34 8.698 3.200 1.867 1.00 0.20 H new ATOM 0 HA LEU A 34 9.112 1.561 -0.554 1.00 0.20 H new ATOM 0 HB2 LEU A 34 6.567 2.320 0.910 1.00 0.23 H new ATOM 0 HB3 LEU A 34 6.596 1.634 -0.703 1.00 0.23 H new ATOM 0 HG LEU A 34 7.900 -0.334 0.396 1.00 0.46 H new ATOM 0 HD11 LEU A 34 7.304 -0.721 2.751 1.00 1.15 H new ATOM 0 HD12 LEU A 34 8.303 0.739 2.553 1.00 1.15 H new ATOM 0 HD13 LEU A 34 6.551 0.890 2.821 1.00 1.15 H new ATOM 0 HD21 LEU A 34 5.760 -1.428 0.966 1.00 0.67 H new ATOM 0 HD22 LEU A 34 4.954 0.158 0.961 1.00 0.67 H new ATOM 0 HD23 LEU A 34 5.641 -0.495 -0.545 1.00 0.67 H new ATOM 561 N GLU A 35 8.287 3.449 -2.063 1.00 0.19 N ATOM 562 CA GLU A 35 8.075 4.572 -2.945 1.00 0.21 C ATOM 563 C GLU A 35 6.608 4.574 -3.386 1.00 0.20 C ATOM 564 O GLU A 35 6.213 3.792 -4.256 1.00 0.21 O ATOM 565 CB GLU A 35 8.999 4.429 -4.159 1.00 0.25 C ATOM 566 CG GLU A 35 9.768 5.684 -4.515 1.00 0.59 C ATOM 567 CD GLU A 35 10.792 5.435 -5.611 1.00 0.56 C ATOM 568 OE1 GLU A 35 10.389 5.265 -6.782 1.00 1.28 O ATOM 569 OE2 GLU A 35 12.002 5.385 -5.307 1.00 1.19 O ATOM 0 H GLU A 35 8.383 2.557 -2.548 1.00 0.19 H new ATOM 0 HA GLU A 35 8.299 5.511 -2.439 1.00 0.21 H new ATOM 0 HB2 GLU A 35 9.710 3.625 -3.966 1.00 0.25 H new ATOM 0 HB3 GLU A 35 8.403 4.127 -5.020 1.00 0.25 H new ATOM 0 HG2 GLU A 35 9.071 6.456 -4.840 1.00 0.59 H new ATOM 0 HG3 GLU A 35 10.273 6.064 -3.627 1.00 0.59 H new ATOM 576 N ILE A 36 5.801 5.417 -2.751 1.00 0.21 N ATOM 577 CA ILE A 36 4.361 5.449 -2.991 1.00 0.23 C ATOM 578 C ILE A 36 4.003 6.443 -4.094 1.00 0.25 C ATOM 579 O ILE A 36 4.328 7.625 -4.019 1.00 0.27 O ATOM 580 CB ILE A 36 3.569 5.817 -1.704 1.00 0.26 C ATOM 581 CG1 ILE A 36 3.473 4.629 -0.745 1.00 0.25 C ATOM 582 CG2 ILE A 36 2.170 6.321 -2.038 1.00 0.29 C ATOM 583 CD1 ILE A 36 4.804 4.175 -0.206 1.00 0.25 C ATOM 0 H ILE A 36 6.123 6.094 -2.059 1.00 0.21 H new ATOM 0 HA ILE A 36 4.079 4.444 -3.304 1.00 0.23 H new ATOM 0 HB ILE A 36 4.122 6.617 -1.212 1.00 0.26 H new ATOM 0 HG12 ILE A 36 2.826 4.899 0.090 1.00 0.25 H new ATOM 0 HG13 ILE A 36 2.997 3.795 -1.261 1.00 0.25 H new ATOM 0 HG21 ILE A 36 1.643 6.569 -1.117 1.00 0.29 H new ATOM 0 HG22 ILE A 36 2.243 7.210 -2.665 1.00 0.29 H new ATOM 0 HG23 ILE A 36 1.621 5.545 -2.572 1.00 0.29 H new ATOM 0 HD11 ILE A 36 4.655 3.330 0.466 1.00 0.25 H new ATOM 0 HD12 ILE A 36 5.447 3.873 -1.032 1.00 0.25 H new ATOM 0 HD13 ILE A 36 5.274 4.994 0.339 1.00 0.25 H new ATOM 595 N TYR A 37 3.330 5.942 -5.105 1.00 0.25 N ATOM 596 CA TYR A 37 2.829 6.748 -6.199 1.00 0.24 C ATOM 597 C TYR A 37 1.330 6.489 -6.353 1.00 0.19 C ATOM 598 O TYR A 37 0.813 5.516 -5.812 1.00 0.22 O ATOM 599 CB TYR A 37 3.646 6.439 -7.468 1.00 0.31 C ATOM 600 CG TYR A 37 2.959 6.648 -8.806 1.00 1.10 C ATOM 601 CD1 TYR A 37 2.895 7.905 -9.389 1.00 2.03 C ATOM 602 CD2 TYR A 37 2.413 5.576 -9.504 1.00 1.91 C ATOM 603 CE1 TYR A 37 2.299 8.093 -10.622 1.00 2.97 C ATOM 604 CE2 TYR A 37 1.822 5.755 -10.740 1.00 2.86 C ATOM 605 CZ TYR A 37 1.768 7.015 -11.296 1.00 3.23 C ATOM 606 OH TYR A 37 1.186 7.199 -12.531 1.00 4.30 O ATOM 0 H TYR A 37 3.111 4.950 -5.193 1.00 0.25 H new ATOM 0 HA TYR A 37 2.949 7.814 -6.005 1.00 0.24 H new ATOM 0 HB2 TYR A 37 4.544 7.056 -7.450 1.00 0.31 H new ATOM 0 HB3 TYR A 37 3.972 5.400 -7.415 1.00 0.31 H new ATOM 0 HD1 TYR A 37 3.319 8.752 -8.870 1.00 2.03 H new ATOM 0 HD2 TYR A 37 2.452 4.587 -9.072 1.00 1.91 H new ATOM 0 HE1 TYR A 37 2.250 9.081 -11.055 1.00 2.97 H new ATOM 0 HE2 TYR A 37 1.404 4.911 -11.268 1.00 2.86 H new ATOM 0 HH TYR A 37 0.862 6.339 -12.871 1.00 4.30 H new ATOM 616 N VAL A 38 0.631 7.358 -7.057 1.00 0.21 N ATOM 617 CA VAL A 38 -0.816 7.253 -7.140 1.00 0.19 C ATOM 618 C VAL A 38 -1.260 7.069 -8.585 1.00 0.20 C ATOM 619 O VAL A 38 -0.717 7.693 -9.495 1.00 0.25 O ATOM 620 CB VAL A 38 -1.518 8.479 -6.516 1.00 0.21 C ATOM 621 CG1 VAL A 38 -1.269 9.739 -7.330 1.00 0.26 C ATOM 622 CG2 VAL A 38 -3.004 8.202 -6.374 1.00 0.18 C ATOM 0 H VAL A 38 1.035 8.138 -7.576 1.00 0.21 H new ATOM 0 HA VAL A 38 -1.110 6.375 -6.565 1.00 0.19 H new ATOM 0 HB VAL A 38 -1.096 8.652 -5.526 1.00 0.21 H new ATOM 0 HG11 VAL A 38 -1.778 10.581 -6.861 1.00 0.26 H new ATOM 0 HG12 VAL A 38 -0.198 9.939 -7.372 1.00 0.26 H new ATOM 0 HG13 VAL A 38 -1.652 9.601 -8.341 1.00 0.26 H new ATOM 0 HG21 VAL A 38 -3.495 9.069 -5.933 1.00 0.18 H new ATOM 0 HG22 VAL A 38 -3.432 8.002 -7.356 1.00 0.18 H new ATOM 0 HG23 VAL A 38 -3.153 7.335 -5.730 1.00 0.18 H new ATOM 632 N ASP A 39 -2.237 6.202 -8.793 1.00 0.20 N ATOM 633 CA ASP A 39 -2.723 5.923 -10.133 1.00 0.24 C ATOM 634 C ASP A 39 -4.229 6.091 -10.193 1.00 0.26 C ATOM 635 O ASP A 39 -4.977 5.121 -10.081 1.00 0.30 O ATOM 636 CB ASP A 39 -2.323 4.517 -10.583 1.00 0.27 C ATOM 637 CG ASP A 39 -2.683 4.248 -12.029 1.00 0.40 C ATOM 638 OD1 ASP A 39 -1.938 4.687 -12.928 1.00 1.15 O ATOM 639 OD2 ASP A 39 -3.708 3.585 -12.279 1.00 1.07 O ATOM 0 H ASP A 39 -2.708 5.681 -8.053 1.00 0.20 H new ATOM 0 HA ASP A 39 -2.263 6.638 -10.816 1.00 0.24 H new ATOM 0 HB2 ASP A 39 -1.249 4.388 -10.449 1.00 0.27 H new ATOM 0 HB3 ASP A 39 -2.815 3.781 -9.946 1.00 0.27 H new ATOM 644 N ASP A 40 -4.641 7.346 -10.327 1.00 0.32 N ATOM 645 CA ASP A 40 -6.050 7.747 -10.445 1.00 0.39 C ATOM 646 C ASP A 40 -6.911 7.240 -9.286 1.00 0.34 C ATOM 647 O ASP A 40 -7.188 7.977 -8.343 1.00 0.41 O ATOM 648 CB ASP A 40 -6.650 7.288 -11.774 1.00 0.54 C ATOM 649 CG ASP A 40 -7.969 7.980 -12.066 1.00 0.97 C ATOM 650 OD1 ASP A 40 -7.965 9.215 -12.262 1.00 1.41 O ATOM 651 OD2 ASP A 40 -9.013 7.292 -12.098 1.00 1.83 O ATOM 0 H ASP A 40 -3.996 8.135 -10.358 1.00 0.32 H new ATOM 0 HA ASP A 40 -6.054 8.836 -10.407 1.00 0.39 H new ATOM 0 HB2 ASP A 40 -5.946 7.493 -12.581 1.00 0.54 H new ATOM 0 HB3 ASP A 40 -6.803 6.209 -11.750 1.00 0.54 H new ATOM 656 N GLU A 41 -7.320 5.980 -9.358 1.00 0.38 N ATOM 657 CA GLU A 41 -8.265 5.413 -8.402 1.00 0.49 C ATOM 658 C GLU A 41 -7.608 4.384 -7.488 1.00 0.42 C ATOM 659 O GLU A 41 -8.275 3.766 -6.656 1.00 0.64 O ATOM 660 CB GLU A 41 -9.456 4.796 -9.148 1.00 0.71 C ATOM 661 CG GLU A 41 -9.106 4.163 -10.495 1.00 1.19 C ATOM 662 CD GLU A 41 -8.299 2.883 -10.387 1.00 1.86 C ATOM 663 OE1 GLU A 41 -8.869 1.847 -9.988 1.00 2.28 O ATOM 664 OE2 GLU A 41 -7.100 2.908 -10.730 1.00 2.54 O ATOM 0 H GLU A 41 -7.009 5.325 -10.075 1.00 0.38 H new ATOM 0 HA GLU A 41 -8.621 6.222 -7.764 1.00 0.49 H new ATOM 0 HB2 GLU A 41 -9.912 4.037 -8.512 1.00 0.71 H new ATOM 0 HB3 GLU A 41 -10.207 5.570 -9.309 1.00 0.71 H new ATOM 0 HG2 GLU A 41 -10.029 3.954 -11.037 1.00 1.19 H new ATOM 0 HG3 GLU A 41 -8.545 4.885 -11.089 1.00 1.19 H new ATOM 671 N LYS A 42 -6.304 4.209 -7.629 1.00 0.26 N ATOM 672 CA LYS A 42 -5.594 3.255 -6.789 1.00 0.26 C ATOM 673 C LYS A 42 -4.203 3.734 -6.408 1.00 0.18 C ATOM 674 O LYS A 42 -3.704 4.734 -6.928 1.00 0.18 O ATOM 675 CB LYS A 42 -5.528 1.885 -7.454 1.00 0.39 C ATOM 676 CG LYS A 42 -4.862 1.867 -8.815 1.00 0.78 C ATOM 677 CD LYS A 42 -4.980 0.488 -9.441 1.00 0.87 C ATOM 678 CE LYS A 42 -4.374 0.443 -10.830 1.00 0.55 C ATOM 679 NZ LYS A 42 -5.034 1.408 -11.750 1.00 0.81 N ATOM 0 H LYS A 42 -5.723 4.705 -8.305 1.00 0.26 H new ATOM 0 HA LYS A 42 -6.165 3.168 -5.865 1.00 0.26 H new ATOM 0 HB2 LYS A 42 -4.992 1.203 -6.794 1.00 0.39 H new ATOM 0 HB3 LYS A 42 -6.542 1.498 -7.557 1.00 0.39 H new ATOM 0 HG2 LYS A 42 -5.326 2.610 -9.464 1.00 0.78 H new ATOM 0 HG3 LYS A 42 -3.812 2.141 -8.717 1.00 0.78 H new ATOM 0 HD2 LYS A 42 -4.482 -0.243 -8.804 1.00 0.87 H new ATOM 0 HD3 LYS A 42 -6.031 0.202 -9.494 1.00 0.87 H new ATOM 0 HE2 LYS A 42 -3.309 0.668 -10.770 1.00 0.55 H new ATOM 0 HE3 LYS A 42 -4.465 -0.565 -11.234 1.00 0.55 H new ATOM 0 HZ1 LYS A 42 -5.286 0.926 -12.637 1.00 0.81 H new ATOM 0 HZ2 LYS A 42 -5.895 1.781 -11.302 1.00 0.81 H new ATOM 0 HZ3 LYS A 42 -4.383 2.193 -11.955 1.00 0.81 H new ATOM 693 N ILE A 43 -3.589 2.998 -5.494 1.00 0.16 N ATOM 694 CA ILE A 43 -2.284 3.336 -4.961 1.00 0.15 C ATOM 695 C ILE A 43 -1.226 2.394 -5.520 1.00 0.16 C ATOM 696 O ILE A 43 -1.455 1.189 -5.637 1.00 0.21 O ATOM 697 CB ILE A 43 -2.274 3.235 -3.425 1.00 0.21 C ATOM 698 CG1 ILE A 43 -3.458 4.008 -2.842 1.00 0.27 C ATOM 699 CG2 ILE A 43 -0.960 3.769 -2.876 1.00 0.26 C ATOM 700 CD1 ILE A 43 -3.741 3.681 -1.397 1.00 0.34 C ATOM 0 H ILE A 43 -3.987 2.145 -5.101 1.00 0.16 H new ATOM 0 HA ILE A 43 -2.061 4.362 -5.255 1.00 0.15 H new ATOM 0 HB ILE A 43 -2.369 2.189 -3.135 1.00 0.21 H new ATOM 0 HG12 ILE A 43 -3.263 5.077 -2.932 1.00 0.27 H new ATOM 0 HG13 ILE A 43 -4.347 3.795 -3.435 1.00 0.27 H new ATOM 0 HG21 ILE A 43 -0.962 3.693 -1.789 1.00 0.26 H new ATOM 0 HG22 ILE A 43 -0.133 3.184 -3.279 1.00 0.26 H new ATOM 0 HG23 ILE A 43 -0.842 4.813 -3.167 1.00 0.26 H new ATOM 0 HD11 ILE A 43 -4.593 4.266 -1.052 1.00 0.34 H new ATOM 0 HD12 ILE A 43 -3.968 2.619 -1.302 1.00 0.34 H new ATOM 0 HD13 ILE A 43 -2.867 3.921 -0.792 1.00 0.34 H new ATOM 712 N ILE A 44 -0.078 2.948 -5.855 1.00 0.14 N ATOM 713 CA ILE A 44 1.019 2.180 -6.428 1.00 0.16 C ATOM 714 C ILE A 44 2.247 2.319 -5.548 1.00 0.17 C ATOM 715 O ILE A 44 2.880 3.365 -5.541 1.00 0.20 O ATOM 716 CB ILE A 44 1.386 2.688 -7.844 1.00 0.16 C ATOM 717 CG1 ILE A 44 0.136 2.889 -8.711 1.00 0.17 C ATOM 718 CG2 ILE A 44 2.349 1.722 -8.516 1.00 0.19 C ATOM 719 CD1 ILE A 44 -0.661 1.628 -8.958 1.00 0.18 C ATOM 0 H ILE A 44 0.125 3.941 -5.740 1.00 0.14 H new ATOM 0 HA ILE A 44 0.697 1.141 -6.493 1.00 0.16 H new ATOM 0 HB ILE A 44 1.873 3.657 -7.736 1.00 0.16 H new ATOM 0 HG12 ILE A 44 -0.510 3.625 -8.231 1.00 0.17 H new ATOM 0 HG13 ILE A 44 0.438 3.308 -9.671 1.00 0.17 H new ATOM 0 HG21 ILE A 44 2.599 2.091 -9.511 1.00 0.19 H new ATOM 0 HG22 ILE A 44 3.258 1.641 -7.920 1.00 0.19 H new ATOM 0 HG23 ILE A 44 1.881 0.741 -8.600 1.00 0.19 H new ATOM 0 HD11 ILE A 44 -1.526 1.860 -9.579 1.00 0.18 H new ATOM 0 HD12 ILE A 44 -0.035 0.896 -9.468 1.00 0.18 H new ATOM 0 HD13 ILE A 44 -0.997 1.218 -8.006 1.00 0.18 H new ATOM 731 N LEU A 45 2.611 1.283 -4.812 1.00 0.18 N ATOM 732 CA LEU A 45 3.763 1.398 -3.931 1.00 0.18 C ATOM 733 C LEU A 45 4.808 0.348 -4.249 1.00 0.20 C ATOM 734 O LEU A 45 4.561 -0.856 -4.185 1.00 0.33 O ATOM 735 CB LEU A 45 3.393 1.355 -2.443 1.00 0.36 C ATOM 736 CG LEU A 45 1.969 0.915 -2.109 1.00 0.32 C ATOM 737 CD1 LEU A 45 1.827 -0.589 -2.240 1.00 1.30 C ATOM 738 CD2 LEU A 45 1.599 1.368 -0.708 1.00 1.10 C ATOM 0 H LEU A 45 2.142 0.377 -4.804 1.00 0.18 H new ATOM 0 HA LEU A 45 4.186 2.384 -4.122 1.00 0.18 H new ATOM 0 HB2 LEU A 45 4.086 0.682 -1.938 1.00 0.36 H new ATOM 0 HB3 LEU A 45 3.551 2.348 -2.023 1.00 0.36 H new ATOM 0 HG LEU A 45 1.285 1.381 -2.819 1.00 0.32 H new ATOM 0 HD11 LEU A 45 0.805 -0.880 -1.998 1.00 1.30 H new ATOM 0 HD12 LEU A 45 2.057 -0.888 -3.263 1.00 1.30 H new ATOM 0 HD13 LEU A 45 2.517 -1.081 -1.554 1.00 1.30 H new ATOM 0 HD21 LEU A 45 0.582 1.050 -0.479 1.00 1.10 H new ATOM 0 HD22 LEU A 45 2.288 0.926 0.011 1.00 1.10 H new ATOM 0 HD23 LEU A 45 1.661 2.455 -0.649 1.00 1.10 H new ATOM 750 N LYS A 46 5.966 0.838 -4.624 1.00 0.19 N ATOM 751 CA LYS A 46 7.131 0.019 -4.879 1.00 0.29 C ATOM 752 C LYS A 46 8.056 0.139 -3.685 1.00 0.32 C ATOM 753 O LYS A 46 7.853 0.998 -2.842 1.00 0.54 O ATOM 754 CB LYS A 46 7.806 0.530 -6.156 1.00 0.38 C ATOM 755 CG LYS A 46 9.102 -0.160 -6.525 1.00 0.85 C ATOM 756 CD LYS A 46 9.843 0.657 -7.558 1.00 1.00 C ATOM 757 CE LYS A 46 10.262 1.992 -6.967 1.00 1.15 C ATOM 758 NZ LYS A 46 10.978 2.853 -7.941 1.00 1.41 N ATOM 0 H LYS A 46 6.129 1.835 -4.763 1.00 0.19 H new ATOM 0 HA LYS A 46 6.868 -1.029 -5.019 1.00 0.29 H new ATOM 0 HB2 LYS A 46 7.107 0.421 -6.985 1.00 0.38 H new ATOM 0 HB3 LYS A 46 8.001 1.596 -6.042 1.00 0.38 H new ATOM 0 HG2 LYS A 46 9.721 -0.288 -5.637 1.00 0.85 H new ATOM 0 HG3 LYS A 46 8.895 -1.156 -6.916 1.00 0.85 H new ATOM 0 HD2 LYS A 46 10.722 0.111 -7.902 1.00 1.00 H new ATOM 0 HD3 LYS A 46 9.207 0.820 -8.428 1.00 1.00 H new ATOM 0 HE2 LYS A 46 9.378 2.518 -6.606 1.00 1.15 H new ATOM 0 HE3 LYS A 46 10.904 1.817 -6.104 1.00 1.15 H new ATOM 0 HZ1 LYS A 46 10.787 3.853 -7.727 1.00 1.41 H new ATOM 0 HZ2 LYS A 46 12.000 2.674 -7.876 1.00 1.41 H new ATOM 0 HZ3 LYS A 46 10.649 2.636 -8.903 1.00 1.41 H new ATOM 772 N LYS A 47 9.027 -0.739 -3.572 1.00 0.27 N ATOM 773 CA LYS A 47 10.065 -0.552 -2.569 1.00 0.28 C ATOM 774 C LYS A 47 10.877 0.685 -2.937 1.00 0.29 C ATOM 775 O LYS A 47 11.017 1.003 -4.119 1.00 0.34 O ATOM 776 CB LYS A 47 10.983 -1.777 -2.477 1.00 0.39 C ATOM 777 CG LYS A 47 11.957 -1.917 -3.639 1.00 1.26 C ATOM 778 CD LYS A 47 12.914 -3.072 -3.416 1.00 1.27 C ATOM 779 CE LYS A 47 14.049 -3.065 -4.425 1.00 2.37 C ATOM 780 NZ LYS A 47 14.955 -4.228 -4.246 1.00 2.68 N ATOM 0 H LYS A 47 9.125 -1.576 -4.147 1.00 0.27 H new ATOM 0 HA LYS A 47 9.597 -0.422 -1.593 1.00 0.28 H new ATOM 0 HB2 LYS A 47 11.550 -1.723 -1.547 1.00 0.39 H new ATOM 0 HB3 LYS A 47 10.367 -2.675 -2.424 1.00 0.39 H new ATOM 0 HG2 LYS A 47 11.403 -2.074 -4.565 1.00 1.26 H new ATOM 0 HG3 LYS A 47 12.521 -0.992 -3.758 1.00 1.26 H new ATOM 0 HD2 LYS A 47 13.324 -3.015 -2.407 1.00 1.27 H new ATOM 0 HD3 LYS A 47 12.370 -4.014 -3.487 1.00 1.27 H new ATOM 0 HE2 LYS A 47 13.638 -3.077 -5.434 1.00 2.37 H new ATOM 0 HE3 LYS A 47 14.619 -2.141 -4.324 1.00 2.37 H new ATOM 0 HZ1 LYS A 47 15.716 -4.187 -4.953 1.00 2.68 H new ATOM 0 HZ2 LYS A 47 15.367 -4.203 -3.292 1.00 2.68 H new ATOM 0 HZ3 LYS A 47 14.417 -5.109 -4.368 1.00 2.68 H new ATOM 794 N TYR A 48 11.387 1.403 -1.948 1.00 0.32 N ATOM 795 CA TYR A 48 12.195 2.570 -2.237 1.00 0.41 C ATOM 796 C TYR A 48 13.471 2.139 -2.938 1.00 0.53 C ATOM 797 O TYR A 48 14.077 1.131 -2.565 1.00 0.60 O ATOM 798 CB TYR A 48 12.523 3.345 -0.961 1.00 0.48 C ATOM 799 CG TYR A 48 13.146 4.700 -1.227 1.00 1.10 C ATOM 800 CD1 TYR A 48 12.480 5.642 -2.000 1.00 2.02 C ATOM 801 CD2 TYR A 48 14.394 5.036 -0.716 1.00 1.68 C ATOM 802 CE1 TYR A 48 13.035 6.880 -2.257 1.00 2.71 C ATOM 803 CE2 TYR A 48 14.958 6.275 -0.969 1.00 2.40 C ATOM 804 CZ TYR A 48 14.271 7.193 -1.739 1.00 2.72 C ATOM 805 OH TYR A 48 14.825 8.429 -1.994 1.00 3.55 O ATOM 0 H TYR A 48 11.257 1.201 -0.957 1.00 0.32 H new ATOM 0 HA TYR A 48 11.628 3.234 -2.890 1.00 0.41 H new ATOM 0 HB2 TYR A 48 11.610 3.480 -0.381 1.00 0.48 H new ATOM 0 HB3 TYR A 48 13.204 2.753 -0.350 1.00 0.48 H new ATOM 0 HD1 TYR A 48 11.509 5.402 -2.408 1.00 2.02 H new ATOM 0 HD2 TYR A 48 14.932 4.320 -0.112 1.00 1.68 H new ATOM 0 HE1 TYR A 48 12.502 7.599 -2.861 1.00 2.71 H new ATOM 0 HE2 TYR A 48 15.929 6.522 -0.567 1.00 2.40 H new ATOM 0 HH TYR A 48 15.699 8.492 -1.556 1.00 3.55 H new ATOM 939 N SER B 3 1.725 12.345 -2.745 1.00 0.46 N ATOM 940 CA SER B 3 1.887 11.094 -3.454 1.00 0.38 C ATOM 941 C SER B 3 2.721 11.251 -4.716 1.00 0.36 C ATOM 942 O SER B 3 3.214 12.337 -5.035 1.00 0.41 O ATOM 943 CB SER B 3 0.511 10.554 -3.824 1.00 0.41 C ATOM 944 OG SER B 3 -0.276 10.374 -2.661 1.00 0.44 O ATOM 0 HA SER B 3 2.413 10.402 -2.797 1.00 0.38 H new ATOM 0 HB2 SER B 3 0.013 11.244 -4.505 1.00 0.41 H new ATOM 0 HB3 SER B 3 0.615 9.606 -4.351 1.00 0.41 H new ATOM 0 HG SER B 3 -0.498 11.248 -2.278 1.00 0.44 H new ATOM 950 N THR B 4 2.854 10.140 -5.422 1.00 0.35 N ATOM 951 CA THR B 4 3.538 10.084 -6.693 1.00 0.35 C ATOM 952 C THR B 4 5.053 10.059 -6.508 1.00 0.34 C ATOM 953 O THR B 4 5.747 11.054 -6.714 1.00 0.40 O ATOM 954 CB THR B 4 3.109 11.226 -7.637 1.00 0.36 C ATOM 955 OG1 THR B 4 1.686 11.186 -7.810 1.00 0.35 O ATOM 956 CG2 THR B 4 3.779 11.084 -8.993 1.00 0.41 C ATOM 0 H THR B 4 2.482 9.240 -5.119 1.00 0.35 H new ATOM 0 HA THR B 4 3.243 9.149 -7.170 1.00 0.35 H new ATOM 0 HB THR B 4 3.410 12.176 -7.195 1.00 0.36 H new ATOM 0 HG1 THR B 4 1.409 11.911 -8.408 1.00 0.35 H new ATOM 0 HG21 THR B 4 3.462 11.900 -9.643 1.00 0.41 H new ATOM 0 HG22 THR B 4 4.861 11.118 -8.869 1.00 0.41 H new ATOM 0 HG23 THR B 4 3.495 10.132 -9.441 1.00 0.41 H new ATOM 964 N GLY B 5 5.543 8.914 -6.045 1.00 0.30 N ATOM 965 CA GLY B 5 6.963 8.697 -5.937 1.00 0.30 C ATOM 966 C GLY B 5 7.499 9.224 -4.631 1.00 0.29 C ATOM 967 O GLY B 5 8.611 9.744 -4.564 1.00 0.32 O ATOM 0 H GLY B 5 4.969 8.127 -5.741 1.00 0.30 H new ATOM 0 HA2 GLY B 5 7.177 7.631 -6.017 1.00 0.30 H new ATOM 0 HA3 GLY B 5 7.472 9.188 -6.766 1.00 0.30 H new ATOM 971 N ILE B 6 6.704 9.080 -3.585 1.00 0.28 N ATOM 972 CA ILE B 6 7.080 9.587 -2.283 1.00 0.29 C ATOM 973 C ILE B 6 7.448 8.432 -1.363 1.00 0.25 C ATOM 974 O ILE B 6 6.783 7.399 -1.344 1.00 0.24 O ATOM 975 CB ILE B 6 5.964 10.441 -1.641 1.00 0.35 C ATOM 976 CG1 ILE B 6 6.509 11.160 -0.407 1.00 0.42 C ATOM 977 CG2 ILE B 6 4.751 9.590 -1.280 1.00 0.32 C ATOM 978 CD1 ILE B 6 7.498 12.258 -0.732 1.00 0.52 C ATOM 0 H ILE B 6 5.796 8.616 -3.615 1.00 0.28 H new ATOM 0 HA ILE B 6 7.944 10.237 -2.423 1.00 0.29 H new ATOM 0 HB ILE B 6 5.636 11.183 -2.369 1.00 0.35 H new ATOM 0 HG12 ILE B 6 5.676 11.587 0.152 1.00 0.42 H new ATOM 0 HG13 ILE B 6 6.990 10.431 0.245 1.00 0.42 H new ATOM 0 HG21 ILE B 6 3.984 10.221 -0.831 1.00 0.32 H new ATOM 0 HG22 ILE B 6 4.354 9.122 -2.181 1.00 0.32 H new ATOM 0 HG23 ILE B 6 5.047 8.817 -0.570 1.00 0.32 H new ATOM 0 HD11 ILE B 6 7.842 12.723 0.192 1.00 0.52 H new ATOM 0 HD12 ILE B 6 8.350 11.835 -1.264 1.00 0.52 H new ATOM 0 HD13 ILE B 6 7.016 13.008 -1.358 1.00 0.52 H new ATOM 990 N VAL B 7 8.507 8.605 -0.609 1.00 0.25 N ATOM 991 CA VAL B 7 9.035 7.530 0.202 1.00 0.24 C ATOM 992 C VAL B 7 8.365 7.497 1.583 1.00 0.28 C ATOM 993 O VAL B 7 8.248 8.527 2.251 1.00 0.37 O ATOM 994 CB VAL B 7 10.564 7.675 0.352 1.00 0.25 C ATOM 995 CG1 VAL B 7 10.938 9.037 0.917 1.00 0.31 C ATOM 996 CG2 VAL B 7 11.114 6.570 1.218 1.00 0.30 C ATOM 0 H VAL B 7 9.023 9.482 -0.539 1.00 0.25 H new ATOM 0 HA VAL B 7 8.816 6.588 -0.301 1.00 0.24 H new ATOM 0 HB VAL B 7 11.008 7.595 -0.640 1.00 0.25 H new ATOM 0 HG11 VAL B 7 12.022 9.107 1.010 1.00 0.31 H new ATOM 0 HG12 VAL B 7 10.580 9.819 0.248 1.00 0.31 H new ATOM 0 HG13 VAL B 7 10.481 9.162 1.898 1.00 0.31 H new ATOM 0 HG21 VAL B 7 12.194 6.686 1.314 1.00 0.30 H new ATOM 0 HG22 VAL B 7 10.654 6.618 2.205 1.00 0.30 H new ATOM 0 HG23 VAL B 7 10.892 5.605 0.762 1.00 0.30 H new ATOM 1006 N ARG B 8 7.880 6.325 1.985 1.00 0.27 N ATOM 1007 CA ARG B 8 7.299 6.137 3.314 1.00 0.32 C ATOM 1008 C ARG B 8 7.958 4.971 4.040 1.00 0.27 C ATOM 1009 O ARG B 8 8.503 4.072 3.408 1.00 0.26 O ATOM 1010 CB ARG B 8 5.799 5.879 3.213 1.00 0.41 C ATOM 1011 CG ARG B 8 4.967 7.128 3.403 1.00 0.57 C ATOM 1012 CD ARG B 8 5.072 8.046 2.207 1.00 0.57 C ATOM 1013 NE ARG B 8 4.386 9.311 2.436 1.00 0.95 N ATOM 1014 CZ ARG B 8 5.016 10.448 2.725 1.00 0.89 C ATOM 1015 NH1 ARG B 8 6.342 10.472 2.830 1.00 1.74 N ATOM 1016 NH2 ARG B 8 4.321 11.560 2.920 1.00 1.09 N ATOM 0 H ARG B 8 7.878 5.485 1.406 1.00 0.27 H new ATOM 0 HA ARG B 8 7.473 7.052 3.880 1.00 0.32 H new ATOM 0 HB2 ARG B 8 5.576 5.446 2.238 1.00 0.41 H new ATOM 0 HB3 ARG B 8 5.512 5.141 3.962 1.00 0.41 H new ATOM 0 HG2 ARG B 8 3.924 6.852 3.562 1.00 0.57 H new ATOM 0 HG3 ARG B 8 5.297 7.655 4.298 1.00 0.57 H new ATOM 0 HD2 ARG B 8 6.122 8.237 1.986 1.00 0.57 H new ATOM 0 HD3 ARG B 8 4.646 7.554 1.332 1.00 0.57 H new ATOM 0 HE ARG B 8 3.368 9.326 2.371 1.00 0.95 H new ATOM 0 HH11 ARG B 8 6.880 9.617 2.689 1.00 1.74 H new ATOM 0 HH12 ARG B 8 6.820 11.345 3.052 1.00 1.74 H new ATOM 0 HH21 ARG B 8 3.304 11.545 2.849 1.00 1.09 H new ATOM 0 HH22 ARG B 8 4.804 12.431 3.141 1.00 1.09 H new ATOM 1030 N LYS B 9 7.900 4.993 5.364 1.00 0.30 N ATOM 1031 CA LYS B 9 8.416 3.897 6.180 1.00 0.27 C ATOM 1032 C LYS B 9 7.389 2.771 6.244 1.00 0.24 C ATOM 1033 O LYS B 9 6.213 2.988 5.948 1.00 0.26 O ATOM 1034 CB LYS B 9 8.721 4.388 7.599 1.00 0.30 C ATOM 1035 CG LYS B 9 9.760 5.501 7.677 1.00 1.23 C ATOM 1036 CD LYS B 9 11.189 4.974 7.608 1.00 0.97 C ATOM 1037 CE LYS B 9 11.598 4.577 6.198 1.00 0.69 C ATOM 1038 NZ LYS B 9 13.014 4.127 6.146 1.00 0.92 N ATOM 0 H LYS B 9 7.499 5.762 5.901 1.00 0.30 H new ATOM 0 HA LYS B 9 9.335 3.528 5.725 1.00 0.27 H new ATOM 0 HB2 LYS B 9 7.795 4.741 8.054 1.00 0.30 H new ATOM 0 HB3 LYS B 9 9.067 3.543 8.195 1.00 0.30 H new ATOM 0 HG2 LYS B 9 9.596 6.204 6.860 1.00 1.23 H new ATOM 0 HG3 LYS B 9 9.625 6.055 8.606 1.00 1.23 H new ATOM 0 HD2 LYS B 9 11.872 5.738 7.979 1.00 0.97 H new ATOM 0 HD3 LYS B 9 11.287 4.111 8.267 1.00 0.97 H new ATOM 0 HE2 LYS B 9 10.948 3.778 5.841 1.00 0.69 H new ATOM 0 HE3 LYS B 9 11.460 5.424 5.526 1.00 0.69 H new ATOM 0 HZ1 LYS B 9 13.388 4.268 5.186 1.00 0.92 H new ATOM 0 HZ2 LYS B 9 13.579 4.679 6.822 1.00 0.92 H new ATOM 0 HZ3 LYS B 9 13.067 3.118 6.393 1.00 0.92 H new ATOM 1052 N VAL B 10 7.823 1.573 6.631 1.00 0.22 N ATOM 1053 CA VAL B 10 6.903 0.455 6.747 1.00 0.22 C ATOM 1054 C VAL B 10 6.238 0.448 8.127 1.00 0.24 C ATOM 1055 O VAL B 10 5.367 1.271 8.419 1.00 0.39 O ATOM 1056 CB VAL B 10 7.590 -0.920 6.516 1.00 0.23 C ATOM 1057 CG1 VAL B 10 6.563 -1.977 6.145 1.00 0.27 C ATOM 1058 CG2 VAL B 10 8.688 -0.838 5.464 1.00 0.22 C ATOM 0 H VAL B 10 8.792 1.358 6.865 1.00 0.22 H new ATOM 0 HA VAL B 10 6.157 0.594 5.965 1.00 0.22 H new ATOM 0 HB VAL B 10 8.063 -1.210 7.454 1.00 0.23 H new ATOM 0 HG11 VAL B 10 7.064 -2.932 5.988 1.00 0.27 H new ATOM 0 HG12 VAL B 10 5.836 -2.077 6.951 1.00 0.27 H new ATOM 0 HG13 VAL B 10 6.051 -1.681 5.230 1.00 0.27 H new ATOM 0 HG21 VAL B 10 9.141 -1.821 5.334 1.00 0.22 H new ATOM 0 HG22 VAL B 10 8.261 -0.507 4.517 1.00 0.22 H new ATOM 0 HG23 VAL B 10 9.449 -0.127 5.787 1.00 0.22 H new ATOM 1068 N ASP B 11 6.714 -0.445 8.989 1.00 0.23 N ATOM 1069 CA ASP B 11 6.093 -0.718 10.284 1.00 0.31 C ATOM 1070 C ASP B 11 6.792 -1.906 10.921 1.00 0.27 C ATOM 1071 O ASP B 11 7.618 -1.755 11.818 1.00 0.21 O ATOM 1072 CB ASP B 11 4.596 -1.013 10.101 1.00 0.64 C ATOM 1073 CG ASP B 11 3.946 -1.652 11.307 1.00 0.98 C ATOM 1074 OD1 ASP B 11 3.907 -1.018 12.378 1.00 1.66 O ATOM 1075 OD2 ASP B 11 3.445 -2.791 11.169 1.00 1.39 O ATOM 0 H ASP B 11 7.548 -1.005 8.809 1.00 0.23 H new ATOM 0 HA ASP B 11 6.191 0.153 10.932 1.00 0.31 H new ATOM 0 HB2 ASP B 11 4.078 -0.082 9.872 1.00 0.64 H new ATOM 0 HB3 ASP B 11 4.468 -1.670 9.241 1.00 0.64 H new ATOM 1080 N GLU B 12 6.464 -3.079 10.409 1.00 0.40 N ATOM 1081 CA GLU B 12 7.155 -4.318 10.724 1.00 0.54 C ATOM 1082 C GLU B 12 6.738 -5.371 9.731 1.00 0.46 C ATOM 1083 O GLU B 12 7.446 -5.679 8.770 1.00 0.52 O ATOM 1084 CB GLU B 12 6.863 -4.844 12.137 1.00 0.77 C ATOM 1085 CG GLU B 12 5.497 -4.504 12.699 1.00 0.87 C ATOM 1086 CD GLU B 12 5.243 -5.224 14.005 1.00 1.22 C ATOM 1087 OE1 GLU B 12 4.998 -6.451 13.968 1.00 1.91 O ATOM 1088 OE2 GLU B 12 5.315 -4.582 15.073 1.00 1.57 O ATOM 0 H GLU B 12 5.695 -3.200 9.750 1.00 0.40 H new ATOM 0 HA GLU B 12 8.223 -4.104 10.674 1.00 0.54 H new ATOM 0 HB2 GLU B 12 6.972 -5.928 12.130 1.00 0.77 H new ATOM 0 HB3 GLU B 12 7.621 -4.451 12.814 1.00 0.77 H new ATOM 0 HG2 GLU B 12 5.424 -3.428 12.855 1.00 0.87 H new ATOM 0 HG3 GLU B 12 4.727 -4.775 11.977 1.00 0.87 H new ATOM 1095 N LEU B 13 5.547 -5.867 9.966 1.00 0.39 N ATOM 1096 CA LEU B 13 4.972 -6.959 9.215 1.00 0.35 C ATOM 1097 C LEU B 13 4.455 -6.522 7.841 1.00 0.29 C ATOM 1098 O LEU B 13 4.029 -7.357 7.047 1.00 0.40 O ATOM 1099 CB LEU B 13 3.857 -7.562 10.062 1.00 0.40 C ATOM 1100 CG LEU B 13 2.725 -6.594 10.419 1.00 0.53 C ATOM 1101 CD1 LEU B 13 1.516 -6.820 9.530 1.00 0.64 C ATOM 1102 CD2 LEU B 13 2.351 -6.727 11.886 1.00 0.72 C ATOM 0 H LEU B 13 4.935 -5.515 10.702 1.00 0.39 H new ATOM 0 HA LEU B 13 5.743 -7.701 9.010 1.00 0.35 H new ATOM 0 HB2 LEU B 13 3.434 -8.412 9.528 1.00 0.40 H new ATOM 0 HB3 LEU B 13 4.290 -7.949 10.985 1.00 0.40 H new ATOM 0 HG LEU B 13 3.080 -5.578 10.248 1.00 0.53 H new ATOM 0 HD11 LEU B 13 0.727 -6.120 9.804 1.00 0.64 H new ATOM 0 HD12 LEU B 13 1.796 -6.662 8.488 1.00 0.64 H new ATOM 0 HD13 LEU B 13 1.156 -7.841 9.658 1.00 0.64 H new ATOM 0 HD21 LEU B 13 1.545 -6.031 12.121 1.00 0.72 H new ATOM 0 HD22 LEU B 13 2.020 -7.746 12.086 1.00 0.72 H new ATOM 0 HD23 LEU B 13 3.219 -6.499 12.505 1.00 0.72 H new ATOM 1114 N GLY B 14 4.472 -5.222 7.555 1.00 0.25 N ATOM 1115 CA GLY B 14 4.145 -4.786 6.210 1.00 0.24 C ATOM 1116 C GLY B 14 3.231 -3.588 6.167 1.00 0.22 C ATOM 1117 O GLY B 14 3.106 -2.958 5.128 1.00 0.31 O ATOM 0 H GLY B 14 4.701 -4.478 8.215 1.00 0.25 H new ATOM 0 HA2 GLY B 14 5.067 -4.547 5.681 1.00 0.24 H new ATOM 0 HA3 GLY B 14 3.674 -5.611 5.675 1.00 0.24 H new ATOM 1121 N ARG B 15 2.581 -3.278 7.280 1.00 0.17 N ATOM 1122 CA ARG B 15 1.661 -2.147 7.325 1.00 0.17 C ATOM 1123 C ARG B 15 2.346 -0.847 6.902 1.00 0.17 C ATOM 1124 O ARG B 15 3.055 -0.225 7.684 1.00 0.22 O ATOM 1125 CB ARG B 15 1.054 -1.994 8.722 1.00 0.20 C ATOM 1126 CG ARG B 15 -0.457 -1.995 8.707 1.00 0.23 C ATOM 1127 CD ARG B 15 -1.050 -1.926 10.106 1.00 0.25 C ATOM 1128 NE ARG B 15 -2.502 -2.096 10.074 1.00 0.42 N ATOM 1129 CZ ARG B 15 -3.215 -2.687 11.035 1.00 0.58 C ATOM 1130 NH1 ARG B 15 -2.633 -3.084 12.159 1.00 0.72 N ATOM 1131 NH2 ARG B 15 -4.524 -2.846 10.876 1.00 0.75 N ATOM 0 H ARG B 15 2.671 -3.789 8.158 1.00 0.17 H new ATOM 0 HA ARG B 15 0.860 -2.352 6.615 1.00 0.17 H new ATOM 0 HB2 ARG B 15 1.407 -2.806 9.358 1.00 0.20 H new ATOM 0 HB3 ARG B 15 1.408 -1.064 9.167 1.00 0.20 H new ATOM 0 HG2 ARG B 15 -0.813 -1.147 8.122 1.00 0.23 H new ATOM 0 HG3 ARG B 15 -0.812 -2.897 8.209 1.00 0.23 H new ATOM 0 HD2 ARG B 15 -0.604 -2.700 10.731 1.00 0.25 H new ATOM 0 HD3 ARG B 15 -0.803 -0.967 10.561 1.00 0.25 H new ATOM 0 HE ARG B 15 -3.004 -1.738 9.262 1.00 0.42 H new ATOM 0 HH11 ARG B 15 -1.633 -2.938 12.294 1.00 0.72 H new ATOM 0 HH12 ARG B 15 -3.186 -3.535 12.888 1.00 0.72 H new ATOM 0 HH21 ARG B 15 -4.978 -2.517 10.024 1.00 0.75 H new ATOM 0 HH22 ARG B 15 -5.075 -3.297 11.606 1.00 0.75 H new ATOM 1145 N VAL B 16 2.129 -0.451 5.657 1.00 0.14 N ATOM 1146 CA VAL B 16 2.719 0.770 5.122 1.00 0.14 C ATOM 1147 C VAL B 16 1.745 1.932 5.282 1.00 0.16 C ATOM 1148 O VAL B 16 0.535 1.772 5.099 1.00 0.16 O ATOM 1149 CB VAL B 16 3.123 0.605 3.638 1.00 0.15 C ATOM 1150 CG1 VAL B 16 1.912 0.337 2.754 1.00 1.04 C ATOM 1151 CG2 VAL B 16 3.890 1.825 3.157 1.00 0.96 C ATOM 0 H VAL B 16 1.545 -0.960 4.993 1.00 0.14 H new ATOM 0 HA VAL B 16 3.627 0.981 5.687 1.00 0.14 H new ATOM 0 HB VAL B 16 3.776 -0.264 3.564 1.00 0.15 H new ATOM 0 HG11 VAL B 16 2.235 0.227 1.719 1.00 1.04 H new ATOM 0 HG12 VAL B 16 1.419 -0.579 3.080 1.00 1.04 H new ATOM 0 HG13 VAL B 16 1.214 1.171 2.830 1.00 1.04 H new ATOM 0 HG21 VAL B 16 4.166 1.692 2.111 1.00 0.96 H new ATOM 0 HG22 VAL B 16 3.263 2.711 3.257 1.00 0.96 H new ATOM 0 HG23 VAL B 16 4.791 1.948 3.758 1.00 0.96 H new ATOM 1161 N VAL B 17 2.269 3.095 5.641 1.00 0.17 N ATOM 1162 CA VAL B 17 1.434 4.245 5.953 1.00 0.17 C ATOM 1163 C VAL B 17 0.951 4.951 4.686 1.00 0.18 C ATOM 1164 O VAL B 17 1.696 5.709 4.060 1.00 0.25 O ATOM 1165 CB VAL B 17 2.179 5.258 6.842 1.00 0.20 C ATOM 1166 CG1 VAL B 17 1.241 6.366 7.290 1.00 0.23 C ATOM 1167 CG2 VAL B 17 2.802 4.562 8.042 1.00 0.22 C ATOM 0 H VAL B 17 3.271 3.267 5.723 1.00 0.17 H new ATOM 0 HA VAL B 17 0.570 3.861 6.496 1.00 0.17 H new ATOM 0 HB VAL B 17 2.981 5.706 6.255 1.00 0.20 H new ATOM 0 HG11 VAL B 17 1.785 7.072 7.917 1.00 0.23 H new ATOM 0 HG12 VAL B 17 0.848 6.885 6.416 1.00 0.23 H new ATOM 0 HG13 VAL B 17 0.416 5.937 7.859 1.00 0.23 H new ATOM 0 HG21 VAL B 17 3.324 5.295 8.657 1.00 0.22 H new ATOM 0 HG22 VAL B 17 2.020 4.084 8.632 1.00 0.22 H new ATOM 0 HG23 VAL B 17 3.510 3.808 7.698 1.00 0.22 H new ATOM 1177 N ILE B 18 -0.290 4.678 4.309 1.00 0.16 N ATOM 1178 CA ILE B 18 -0.929 5.345 3.178 1.00 0.21 C ATOM 1179 C ILE B 18 -1.192 6.815 3.494 1.00 0.17 C ATOM 1180 O ILE B 18 -1.700 7.139 4.569 1.00 0.18 O ATOM 1181 CB ILE B 18 -2.273 4.673 2.824 1.00 0.30 C ATOM 1182 CG1 ILE B 18 -2.069 3.193 2.499 1.00 0.34 C ATOM 1183 CG2 ILE B 18 -2.945 5.388 1.663 1.00 0.44 C ATOM 1184 CD1 ILE B 18 -1.264 2.937 1.239 1.00 0.55 C ATOM 0 H ILE B 18 -0.882 3.991 4.775 1.00 0.16 H new ATOM 0 HA ILE B 18 -0.248 5.265 2.331 1.00 0.21 H new ATOM 0 HB ILE B 18 -2.927 4.746 3.693 1.00 0.30 H new ATOM 0 HG12 ILE B 18 -1.568 2.714 3.340 1.00 0.34 H new ATOM 0 HG13 ILE B 18 -3.044 2.718 2.396 1.00 0.34 H new ATOM 0 HG21 ILE B 18 -3.890 4.897 1.431 1.00 0.44 H new ATOM 0 HG22 ILE B 18 -3.133 6.427 1.935 1.00 0.44 H new ATOM 0 HG23 ILE B 18 -2.295 5.354 0.789 1.00 0.44 H new ATOM 0 HD11 ILE B 18 -1.166 1.863 1.082 1.00 0.55 H new ATOM 0 HD12 ILE B 18 -1.773 3.384 0.385 1.00 0.55 H new ATOM 0 HD13 ILE B 18 -0.274 3.380 1.344 1.00 0.55 H new ATOM 1196 N PRO B 19 -0.821 7.720 2.572 1.00 0.20 N ATOM 1197 CA PRO B 19 -1.140 9.146 2.672 1.00 0.22 C ATOM 1198 C PRO B 19 -2.603 9.414 3.001 1.00 0.21 C ATOM 1199 O PRO B 19 -3.504 8.767 2.461 1.00 0.18 O ATOM 1200 CB PRO B 19 -0.842 9.663 1.278 1.00 0.26 C ATOM 1201 CG PRO B 19 0.258 8.789 0.796 1.00 0.28 C ATOM 1202 CD PRO B 19 -0.022 7.426 1.370 1.00 0.27 C ATOM 0 HA PRO B 19 -0.573 9.620 3.473 1.00 0.22 H new ATOM 0 HB2 PRO B 19 -1.717 9.595 0.632 1.00 0.26 H new ATOM 0 HB3 PRO B 19 -0.540 10.710 1.297 1.00 0.26 H new ATOM 0 HG2 PRO B 19 0.284 8.757 -0.293 1.00 0.28 H new ATOM 0 HG3 PRO B 19 1.227 9.161 1.127 1.00 0.28 H new ATOM 0 HD2 PRO B 19 -0.570 6.799 0.667 1.00 0.27 H new ATOM 0 HD3 PRO B 19 0.898 6.898 1.619 1.00 0.27 H new ATOM 1210 N ILE B 20 -2.828 10.386 3.872 1.00 0.25 N ATOM 1211 CA ILE B 20 -4.178 10.803 4.232 1.00 0.26 C ATOM 1212 C ILE B 20 -4.959 11.250 2.993 1.00 0.26 C ATOM 1213 O ILE B 20 -6.164 11.039 2.907 1.00 0.25 O ATOM 1214 CB ILE B 20 -4.161 11.938 5.285 1.00 0.30 C ATOM 1215 CG1 ILE B 20 -5.591 12.328 5.684 1.00 0.31 C ATOM 1216 CG2 ILE B 20 -3.398 13.148 4.759 1.00 0.34 C ATOM 1217 CD1 ILE B 20 -5.658 13.369 6.783 1.00 0.82 C ATOM 0 H ILE B 20 -2.089 10.905 4.346 1.00 0.25 H new ATOM 0 HA ILE B 20 -4.677 9.939 4.671 1.00 0.26 H new ATOM 0 HB ILE B 20 -3.648 11.572 6.174 1.00 0.30 H new ATOM 0 HG12 ILE B 20 -6.113 12.707 4.805 1.00 0.31 H new ATOM 0 HG13 ILE B 20 -6.124 11.435 6.010 1.00 0.31 H new ATOM 0 HG21 ILE B 20 -3.398 13.934 5.514 1.00 0.34 H new ATOM 0 HG22 ILE B 20 -2.371 12.861 4.534 1.00 0.34 H new ATOM 0 HG23 ILE B 20 -3.879 13.516 3.853 1.00 0.34 H new ATOM 0 HD11 ILE B 20 -6.701 13.592 7.009 1.00 0.82 H new ATOM 0 HD12 ILE B 20 -5.166 12.986 7.677 1.00 0.82 H new ATOM 0 HD13 ILE B 20 -5.155 14.278 6.454 1.00 0.82 H new ATOM 1229 N GLU B 21 -4.262 11.822 2.014 1.00 0.28 N ATOM 1230 CA GLU B 21 -4.909 12.282 0.789 1.00 0.30 C ATOM 1231 C GLU B 21 -5.317 11.086 -0.068 1.00 0.26 C ATOM 1232 O GLU B 21 -6.276 11.151 -0.836 1.00 0.26 O ATOM 1233 CB GLU B 21 -3.972 13.193 -0.010 1.00 0.37 C ATOM 1234 CG GLU B 21 -2.841 12.451 -0.711 1.00 0.42 C ATOM 1235 CD GLU B 21 -1.954 13.361 -1.536 1.00 0.64 C ATOM 1236 OE1 GLU B 21 -2.364 14.510 -1.818 1.00 1.35 O ATOM 1237 OE2 GLU B 21 -0.848 12.924 -1.917 1.00 1.18 O ATOM 0 H GLU B 21 -3.254 11.977 2.045 1.00 0.28 H new ATOM 0 HA GLU B 21 -5.798 12.850 1.064 1.00 0.30 H new ATOM 0 HB2 GLU B 21 -4.555 13.734 -0.755 1.00 0.37 H new ATOM 0 HB3 GLU B 21 -3.544 13.937 0.662 1.00 0.37 H new ATOM 0 HG2 GLU B 21 -2.233 11.940 0.035 1.00 0.42 H new ATOM 0 HG3 GLU B 21 -3.265 11.683 -1.358 1.00 0.42 H new ATOM 1244 N LEU B 22 -4.618 9.975 0.120 1.00 0.24 N ATOM 1245 CA LEU B 22 -4.855 8.796 -0.684 1.00 0.22 C ATOM 1246 C LEU B 22 -6.044 8.036 -0.131 1.00 0.20 C ATOM 1247 O LEU B 22 -6.982 7.717 -0.857 1.00 0.20 O ATOM 1248 CB LEU B 22 -3.616 7.909 -0.721 1.00 0.23 C ATOM 1249 CG LEU B 22 -2.504 8.382 -1.657 1.00 0.28 C ATOM 1250 CD1 LEU B 22 -1.549 7.243 -1.967 1.00 0.30 C ATOM 1251 CD2 LEU B 22 -3.089 8.966 -2.933 1.00 0.33 C ATOM 0 H LEU B 22 -3.885 9.871 0.822 1.00 0.24 H new ATOM 0 HA LEU B 22 -5.074 9.102 -1.707 1.00 0.22 H new ATOM 0 HB2 LEU B 22 -3.212 7.835 0.289 1.00 0.23 H new ATOM 0 HB3 LEU B 22 -3.917 6.905 -1.019 1.00 0.23 H new ATOM 0 HG LEU B 22 -1.941 9.169 -1.155 1.00 0.28 H new ATOM 0 HD11 LEU B 22 -0.764 7.598 -2.635 1.00 0.30 H new ATOM 0 HD12 LEU B 22 -1.102 6.881 -1.041 1.00 0.30 H new ATOM 0 HD13 LEU B 22 -2.095 6.431 -2.448 1.00 0.30 H new ATOM 0 HD21 LEU B 22 -2.281 9.297 -3.586 1.00 0.33 H new ATOM 0 HD22 LEU B 22 -3.680 8.206 -3.444 1.00 0.33 H new ATOM 0 HD23 LEU B 22 -3.726 9.815 -2.686 1.00 0.33 H new ATOM 1263 N ARG B 23 -6.036 7.820 1.177 1.00 0.19 N ATOM 1264 CA ARG B 23 -7.141 7.149 1.842 1.00 0.18 C ATOM 1265 C ARG B 23 -8.394 8.008 1.704 1.00 0.18 C ATOM 1266 O ARG B 23 -9.510 7.500 1.637 1.00 0.19 O ATOM 1267 CB ARG B 23 -6.797 6.894 3.323 1.00 0.21 C ATOM 1268 CG ARG B 23 -6.219 8.108 4.040 1.00 0.27 C ATOM 1269 CD ARG B 23 -7.245 8.797 4.925 1.00 0.64 C ATOM 1270 NE ARG B 23 -7.341 8.177 6.244 1.00 0.66 N ATOM 1271 CZ ARG B 23 -8.322 8.424 7.116 1.00 0.88 C ATOM 1272 NH1 ARG B 23 -9.311 9.252 6.801 1.00 1.48 N ATOM 1273 NH2 ARG B 23 -8.319 7.834 8.304 1.00 1.34 N ATOM 0 H ARG B 23 -5.276 8.100 1.797 1.00 0.19 H new ATOM 0 HA ARG B 23 -7.323 6.180 1.377 1.00 0.18 H new ATOM 0 HB2 ARG B 23 -7.698 6.571 3.845 1.00 0.21 H new ATOM 0 HB3 ARG B 23 -6.082 6.074 3.384 1.00 0.21 H new ATOM 0 HG2 ARG B 23 -5.368 7.798 4.647 1.00 0.27 H new ATOM 0 HG3 ARG B 23 -5.843 8.818 3.303 1.00 0.27 H new ATOM 0 HD2 ARG B 23 -6.978 9.848 5.038 1.00 0.64 H new ATOM 0 HD3 ARG B 23 -8.220 8.767 4.439 1.00 0.64 H new ATOM 0 HE ARG B 23 -6.614 7.515 6.516 1.00 0.66 H new ATOM 0 HH11 ARG B 23 -9.325 9.705 5.887 1.00 1.48 H new ATOM 0 HH12 ARG B 23 -10.056 9.435 7.473 1.00 1.48 H new ATOM 0 HH21 ARG B 23 -7.567 7.191 8.552 1.00 1.34 H new ATOM 0 HH22 ARG B 23 -9.069 8.023 8.969 1.00 1.34 H new ATOM 1287 N ARG B 24 -8.179 9.319 1.637 1.00 0.20 N ATOM 1288 CA ARG B 24 -9.242 10.282 1.387 1.00 0.22 C ATOM 1289 C ARG B 24 -9.785 10.149 -0.033 1.00 0.22 C ATOM 1290 O ARG B 24 -10.995 10.236 -0.248 1.00 0.23 O ATOM 1291 CB ARG B 24 -8.704 11.679 1.627 1.00 0.30 C ATOM 1292 CG ARG B 24 -9.660 12.796 1.295 1.00 0.42 C ATOM 1293 CD ARG B 24 -8.978 14.133 1.487 1.00 0.89 C ATOM 1294 NE ARG B 24 -8.711 14.404 2.899 1.00 1.40 N ATOM 1295 CZ ARG B 24 -7.862 15.333 3.341 1.00 1.96 C ATOM 1296 NH1 ARG B 24 -7.176 16.079 2.483 1.00 2.14 N ATOM 1297 NH2 ARG B 24 -7.707 15.514 4.647 1.00 2.77 N ATOM 0 H ARG B 24 -7.259 9.743 1.755 1.00 0.20 H new ATOM 0 HA ARG B 24 -10.070 10.086 2.069 1.00 0.22 H new ATOM 0 HB2 ARG B 24 -8.417 11.766 2.675 1.00 0.30 H new ATOM 0 HB3 ARG B 24 -7.797 11.809 1.036 1.00 0.30 H new ATOM 0 HG2 ARG B 24 -10.004 12.698 0.265 1.00 0.42 H new ATOM 0 HG3 ARG B 24 -10.542 12.733 1.933 1.00 0.42 H new ATOM 0 HD2 ARG B 24 -8.041 14.147 0.930 1.00 0.89 H new ATOM 0 HD3 ARG B 24 -9.605 14.924 1.076 1.00 0.89 H new ATOM 0 HE ARG B 24 -9.208 13.845 3.593 1.00 1.40 H new ATOM 0 HH11 ARG B 24 -7.297 15.943 1.479 1.00 2.14 H new ATOM 0 HH12 ARG B 24 -6.528 16.788 2.828 1.00 2.14 H new ATOM 0 HH21 ARG B 24 -8.236 14.944 5.307 1.00 2.77 H new ATOM 0 HH22 ARG B 24 -7.059 16.223 4.990 1.00 2.77 H new ATOM 1311 N THR B 25 -8.896 9.913 -0.997 1.00 0.23 N ATOM 1312 CA THR B 25 -9.304 9.687 -2.383 1.00 0.24 C ATOM 1313 C THR B 25 -10.203 8.462 -2.479 1.00 0.22 C ATOM 1314 O THR B 25 -11.187 8.445 -3.219 1.00 0.23 O ATOM 1315 CB THR B 25 -8.077 9.469 -3.296 1.00 0.27 C ATOM 1316 OG1 THR B 25 -7.222 10.622 -3.277 1.00 0.31 O ATOM 1317 CG2 THR B 25 -8.508 9.185 -4.722 1.00 0.29 C ATOM 0 H THR B 25 -7.888 9.873 -0.844 1.00 0.23 H new ATOM 0 HA THR B 25 -9.845 10.574 -2.712 1.00 0.24 H new ATOM 0 HB THR B 25 -7.528 8.608 -2.914 1.00 0.27 H new ATOM 0 HG1 THR B 25 -7.018 10.863 -2.349 1.00 0.31 H new ATOM 0 HG21 THR B 25 -7.627 9.035 -5.345 1.00 0.29 H new ATOM 0 HG22 THR B 25 -9.125 8.287 -4.744 1.00 0.29 H new ATOM 0 HG23 THR B 25 -9.083 10.029 -5.103 1.00 0.29 H new ATOM 1325 N LEU B 26 -9.873 7.451 -1.690 1.00 0.20 N ATOM 1326 CA LEU B 26 -10.571 6.177 -1.752 1.00 0.19 C ATOM 1327 C LEU B 26 -11.784 6.212 -0.840 1.00 0.18 C ATOM 1328 O LEU B 26 -12.639 5.331 -0.888 1.00 0.21 O ATOM 1329 CB LEU B 26 -9.640 5.047 -1.318 1.00 0.19 C ATOM 1330 CG LEU B 26 -8.161 5.254 -1.641 1.00 0.20 C ATOM 1331 CD1 LEU B 26 -7.329 4.118 -1.080 1.00 0.20 C ATOM 1332 CD2 LEU B 26 -7.936 5.415 -3.142 1.00 0.24 C ATOM 0 H LEU B 26 -9.125 7.489 -0.998 1.00 0.20 H new ATOM 0 HA LEU B 26 -10.893 6.001 -2.778 1.00 0.19 H new ATOM 0 HB2 LEU B 26 -9.743 4.908 -0.242 1.00 0.19 H new ATOM 0 HB3 LEU B 26 -9.972 4.123 -1.792 1.00 0.19 H new ATOM 0 HG LEU B 26 -7.838 6.179 -1.164 1.00 0.20 H new ATOM 0 HD11 LEU B 26 -6.279 4.283 -1.320 1.00 0.20 H new ATOM 0 HD12 LEU B 26 -7.452 4.077 0.002 1.00 0.20 H new ATOM 0 HD13 LEU B 26 -7.658 3.176 -1.518 1.00 0.20 H new ATOM 0 HD21 LEU B 26 -6.874 5.560 -3.337 1.00 0.24 H new ATOM 0 HD22 LEU B 26 -8.281 4.520 -3.660 1.00 0.24 H new ATOM 0 HD23 LEU B 26 -8.493 6.280 -3.503 1.00 0.24 H new ATOM 1344 N GLY B 27 -11.848 7.259 -0.022 1.00 0.19 N ATOM 1345 CA GLY B 27 -12.885 7.378 0.983 1.00 0.21 C ATOM 1346 C GLY B 27 -12.841 6.258 2.002 1.00 0.24 C ATOM 1347 O GLY B 27 -13.873 5.872 2.553 1.00 0.34 O ATOM 0 H GLY B 27 -11.188 8.037 -0.041 1.00 0.19 H new ATOM 0 HA2 GLY B 27 -12.781 8.334 1.495 1.00 0.21 H new ATOM 0 HA3 GLY B 27 -13.860 7.382 0.495 1.00 0.21 H new ATOM 1351 N ILE B 28 -11.645 5.744 2.260 1.00 0.22 N ATOM 1352 CA ILE B 28 -11.478 4.650 3.201 1.00 0.23 C ATOM 1353 C ILE B 28 -10.758 5.112 4.456 1.00 0.18 C ATOM 1354 O ILE B 28 -10.172 6.200 4.492 1.00 0.17 O ATOM 1355 CB ILE B 28 -10.672 3.481 2.609 1.00 0.31 C ATOM 1356 CG1 ILE B 28 -9.260 3.941 2.243 1.00 0.33 C ATOM 1357 CG2 ILE B 28 -11.385 2.896 1.397 1.00 0.40 C ATOM 1358 CD1 ILE B 28 -8.268 2.808 2.180 1.00 0.47 C ATOM 0 H ILE B 28 -10.779 6.068 1.830 1.00 0.22 H new ATOM 0 HA ILE B 28 -12.487 4.310 3.437 1.00 0.23 H new ATOM 0 HB ILE B 28 -10.592 2.697 3.362 1.00 0.31 H new ATOM 0 HG12 ILE B 28 -9.288 4.446 1.278 1.00 0.33 H new ATOM 0 HG13 ILE B 28 -8.921 4.673 2.976 1.00 0.33 H new ATOM 0 HG21 ILE B 28 -10.799 2.071 0.993 1.00 0.40 H new ATOM 0 HG22 ILE B 28 -12.368 2.531 1.694 1.00 0.40 H new ATOM 0 HG23 ILE B 28 -11.499 3.667 0.635 1.00 0.40 H new ATOM 0 HD11 ILE B 28 -7.285 3.199 1.916 1.00 0.47 H new ATOM 0 HD12 ILE B 28 -8.214 2.317 3.152 1.00 0.47 H new ATOM 0 HD13 ILE B 28 -8.586 2.087 1.427 1.00 0.47 H new ATOM 1370 N ALA B 29 -10.802 4.263 5.470 1.00 0.19 N ATOM 1371 CA ALA B 29 -10.092 4.488 6.718 1.00 0.18 C ATOM 1372 C ALA B 29 -10.225 3.288 7.622 1.00 0.19 C ATOM 1373 O ALA B 29 -11.211 2.567 7.553 1.00 0.21 O ATOM 1374 CB ALA B 29 -10.615 5.722 7.431 1.00 0.22 C ATOM 0 H ALA B 29 -11.335 3.393 5.450 1.00 0.19 H new ATOM 0 HA ALA B 29 -9.040 4.645 6.478 1.00 0.18 H new ATOM 0 HB1 ALA B 29 -10.065 5.865 8.361 1.00 0.22 H new ATOM 0 HB2 ALA B 29 -10.481 6.595 6.792 1.00 0.22 H new ATOM 0 HB3 ALA B 29 -11.675 5.593 7.652 1.00 0.22 H new ATOM 1380 N GLU B 30 -9.203 3.094 8.452 1.00 0.20 N ATOM 1381 CA GLU B 30 -9.188 2.113 9.531 1.00 0.22 C ATOM 1382 C GLU B 30 -9.939 0.804 9.243 1.00 0.24 C ATOM 1383 O GLU B 30 -9.348 -0.169 8.780 1.00 0.25 O ATOM 1384 CB GLU B 30 -9.694 2.769 10.815 1.00 0.26 C ATOM 1385 CG GLU B 30 -10.757 3.838 10.602 1.00 0.28 C ATOM 1386 CD GLU B 30 -11.047 4.614 11.867 1.00 0.43 C ATOM 1387 OE1 GLU B 30 -11.763 4.084 12.742 1.00 1.11 O ATOM 1388 OE2 GLU B 30 -10.550 5.749 12.000 1.00 1.12 O ATOM 0 H GLU B 30 -8.338 3.631 8.390 1.00 0.20 H new ATOM 0 HA GLU B 30 -8.149 1.800 9.640 1.00 0.22 H new ATOM 0 HB2 GLU B 30 -10.100 1.996 11.467 1.00 0.26 H new ATOM 0 HB3 GLU B 30 -8.848 3.215 11.338 1.00 0.26 H new ATOM 0 HG2 GLU B 30 -10.427 4.526 9.823 1.00 0.28 H new ATOM 0 HG3 GLU B 30 -11.675 3.370 10.246 1.00 0.28 H new ATOM 1395 N LYS B 31 -11.233 0.794 9.525 1.00 0.26 N ATOM 1396 CA LYS B 31 -12.044 -0.414 9.441 1.00 0.30 C ATOM 1397 C LYS B 31 -12.268 -0.869 7.998 1.00 0.27 C ATOM 1398 O LYS B 31 -12.735 -1.989 7.766 1.00 0.33 O ATOM 1399 CB LYS B 31 -13.400 -0.167 10.103 1.00 0.37 C ATOM 1400 CG LYS B 31 -13.304 0.362 11.522 1.00 0.44 C ATOM 1401 CD LYS B 31 -12.621 -0.642 12.428 1.00 0.49 C ATOM 1402 CE LYS B 31 -11.183 -0.248 12.718 1.00 0.50 C ATOM 1403 NZ LYS B 31 -10.534 -1.170 13.684 1.00 0.65 N ATOM 0 H LYS B 31 -11.751 1.622 9.818 1.00 0.26 H new ATOM 0 HA LYS B 31 -11.500 -1.205 9.958 1.00 0.30 H new ATOM 0 HB2 LYS B 31 -13.965 0.543 9.498 1.00 0.37 H new ATOM 0 HB3 LYS B 31 -13.965 -1.099 10.111 1.00 0.37 H new ATOM 0 HG2 LYS B 31 -12.749 1.300 11.528 1.00 0.44 H new ATOM 0 HG3 LYS B 31 -14.302 0.580 11.901 1.00 0.44 H new ATOM 0 HD2 LYS B 31 -13.173 -0.722 13.365 1.00 0.49 H new ATOM 0 HD3 LYS B 31 -12.642 -1.627 11.961 1.00 0.49 H new ATOM 0 HE2 LYS B 31 -10.615 -0.240 11.788 1.00 0.50 H new ATOM 0 HE3 LYS B 31 -11.159 0.767 13.114 1.00 0.50 H new ATOM 0 HZ1 LYS B 31 -9.555 -0.863 13.852 1.00 0.65 H new ATOM 0 HZ2 LYS B 31 -11.059 -1.159 14.581 1.00 0.65 H new ATOM 0 HZ3 LYS B 31 -10.533 -2.135 13.296 1.00 0.65 H new ATOM 1417 N ASP B 32 -11.932 -0.019 7.034 1.00 0.23 N ATOM 1418 CA ASP B 32 -12.239 -0.297 5.638 1.00 0.21 C ATOM 1419 C ASP B 32 -11.255 -1.281 5.040 1.00 0.19 C ATOM 1420 O ASP B 32 -10.325 -1.738 5.707 1.00 0.20 O ATOM 1421 CB ASP B 32 -12.267 0.983 4.805 1.00 0.25 C ATOM 1422 CG ASP B 32 -13.545 1.770 5.002 1.00 0.54 C ATOM 1423 OD1 ASP B 32 -14.625 1.243 4.649 1.00 1.37 O ATOM 1424 OD2 ASP B 32 -13.476 2.902 5.518 1.00 1.18 O ATOM 0 H ASP B 32 -11.449 0.865 7.194 1.00 0.23 H new ATOM 0 HA ASP B 32 -13.233 -0.744 5.616 1.00 0.21 H new ATOM 0 HB2 ASP B 32 -11.414 1.607 5.073 1.00 0.25 H new ATOM 0 HB3 ASP B 32 -12.158 0.730 3.750 1.00 0.25 H new ATOM 1429 N ALA B 33 -11.492 -1.637 3.792 1.00 0.18 N ATOM 1430 CA ALA B 33 -10.646 -2.595 3.115 1.00 0.19 C ATOM 1431 C ALA B 33 -10.089 -2.059 1.805 1.00 0.19 C ATOM 1432 O ALA B 33 -10.655 -1.160 1.181 1.00 0.22 O ATOM 1433 CB ALA B 33 -11.426 -3.868 2.865 1.00 0.22 C ATOM 0 H ALA B 33 -12.263 -1.277 3.229 1.00 0.18 H new ATOM 0 HA ALA B 33 -9.793 -2.797 3.763 1.00 0.19 H new ATOM 0 HB1 ALA B 33 -10.789 -4.591 2.355 1.00 0.22 H new ATOM 0 HB2 ALA B 33 -11.757 -4.284 3.816 1.00 0.22 H new ATOM 0 HB3 ALA B 33 -12.294 -3.647 2.244 1.00 0.22 H new ATOM 1439 N LEU B 34 -8.963 -2.630 1.410 1.00 0.19 N ATOM 1440 CA LEU B 34 -8.346 -2.363 0.124 1.00 0.19 C ATOM 1441 C LEU B 34 -8.212 -3.675 -0.638 1.00 0.20 C ATOM 1442 O LEU B 34 -8.149 -4.746 -0.032 1.00 0.23 O ATOM 1443 CB LEU B 34 -6.949 -1.746 0.291 1.00 0.23 C ATOM 1444 CG LEU B 34 -6.881 -0.363 0.945 1.00 0.46 C ATOM 1445 CD1 LEU B 34 -6.999 -0.473 2.458 1.00 1.23 C ATOM 1446 CD2 LEU B 34 -5.585 0.335 0.559 1.00 0.85 C ATOM 0 H LEU B 34 -8.447 -3.299 1.981 1.00 0.19 H new ATOM 0 HA LEU B 34 -8.974 -1.656 -0.419 1.00 0.19 H new ATOM 0 HB2 LEU B 34 -6.343 -2.432 0.882 1.00 0.23 H new ATOM 0 HB3 LEU B 34 -6.487 -1.680 -0.694 1.00 0.23 H new ATOM 0 HG LEU B 34 -7.720 0.231 0.584 1.00 0.46 H new ATOM 0 HD11 LEU B 34 -6.948 0.522 2.900 1.00 1.23 H new ATOM 0 HD12 LEU B 34 -7.951 -0.936 2.716 1.00 1.23 H new ATOM 0 HD13 LEU B 34 -6.182 -1.084 2.843 1.00 1.23 H new ATOM 0 HD21 LEU B 34 -5.547 1.318 1.029 1.00 0.85 H new ATOM 0 HD22 LEU B 34 -4.737 -0.261 0.895 1.00 0.85 H new ATOM 0 HD23 LEU B 34 -5.542 0.449 -0.524 1.00 0.85 H new ATOM 1458 N GLU B 35 -8.166 -3.588 -1.949 1.00 0.19 N ATOM 1459 CA GLU B 35 -7.916 -4.742 -2.789 1.00 0.20 C ATOM 1460 C GLU B 35 -6.466 -4.709 -3.268 1.00 0.19 C ATOM 1461 O GLU B 35 -6.106 -3.923 -4.147 1.00 0.20 O ATOM 1462 CB GLU B 35 -8.869 -4.769 -3.982 1.00 0.23 C ATOM 1463 CG GLU B 35 -10.290 -5.129 -3.601 1.00 0.78 C ATOM 1464 CD GLU B 35 -11.194 -5.295 -4.807 1.00 0.77 C ATOM 1465 OE1 GLU B 35 -11.049 -6.304 -5.530 1.00 1.40 O ATOM 1466 OE2 GLU B 35 -12.050 -4.417 -5.046 1.00 1.30 O ATOM 0 H GLU B 35 -8.300 -2.718 -2.464 1.00 0.19 H new ATOM 0 HA GLU B 35 -8.089 -5.647 -2.207 1.00 0.20 H new ATOM 0 HB2 GLU B 35 -8.865 -3.791 -4.464 1.00 0.23 H new ATOM 0 HB3 GLU B 35 -8.503 -5.488 -4.715 1.00 0.23 H new ATOM 0 HG2 GLU B 35 -10.284 -6.055 -3.026 1.00 0.78 H new ATOM 0 HG3 GLU B 35 -10.696 -4.353 -2.952 1.00 0.78 H new ATOM 1473 N ILE B 36 -5.642 -5.552 -2.670 1.00 0.20 N ATOM 1474 CA ILE B 36 -4.210 -5.569 -2.933 1.00 0.22 C ATOM 1475 C ILE B 36 -3.877 -6.517 -4.085 1.00 0.24 C ATOM 1476 O ILE B 36 -4.213 -7.701 -4.054 1.00 0.26 O ATOM 1477 CB ILE B 36 -3.421 -5.996 -1.664 1.00 0.25 C ATOM 1478 CG1 ILE B 36 -3.244 -4.825 -0.695 1.00 0.28 C ATOM 1479 CG2 ILE B 36 -2.060 -6.574 -2.026 1.00 0.29 C ATOM 1480 CD1 ILE B 36 -4.536 -4.240 -0.190 1.00 0.25 C ATOM 0 H ILE B 36 -5.946 -6.246 -1.987 1.00 0.20 H new ATOM 0 HA ILE B 36 -3.915 -4.558 -3.212 1.00 0.22 H new ATOM 0 HB ILE B 36 -4.009 -6.770 -1.171 1.00 0.25 H new ATOM 0 HG12 ILE B 36 -2.652 -5.160 0.157 1.00 0.28 H new ATOM 0 HG13 ILE B 36 -2.673 -4.041 -1.191 1.00 0.28 H new ATOM 0 HG21 ILE B 36 -1.534 -6.863 -1.116 1.00 0.29 H new ATOM 0 HG22 ILE B 36 -2.194 -7.450 -2.661 1.00 0.29 H new ATOM 0 HG23 ILE B 36 -1.477 -5.824 -2.560 1.00 0.29 H new ATOM 0 HD11 ILE B 36 -4.321 -3.416 0.490 1.00 0.25 H new ATOM 0 HD12 ILE B 36 -5.122 -3.872 -1.032 1.00 0.25 H new ATOM 0 HD13 ILE B 36 -5.102 -5.008 0.338 1.00 0.25 H new ATOM 1492 N TYR B 37 -3.231 -5.980 -5.098 1.00 0.24 N ATOM 1493 CA TYR B 37 -2.773 -6.751 -6.240 1.00 0.24 C ATOM 1494 C TYR B 37 -1.269 -6.545 -6.412 1.00 0.18 C ATOM 1495 O TYR B 37 -0.718 -5.567 -5.916 1.00 0.23 O ATOM 1496 CB TYR B 37 -3.586 -6.342 -7.482 1.00 0.31 C ATOM 1497 CG TYR B 37 -2.947 -6.588 -8.836 1.00 1.09 C ATOM 1498 CD1 TYR B 37 -3.151 -7.782 -9.508 1.00 2.07 C ATOM 1499 CD2 TYR B 37 -2.173 -5.613 -9.456 1.00 1.84 C ATOM 1500 CE1 TYR B 37 -2.600 -8.007 -10.754 1.00 3.02 C ATOM 1501 CE2 TYR B 37 -1.624 -5.826 -10.707 1.00 2.78 C ATOM 1502 CZ TYR B 37 -1.838 -7.026 -11.348 1.00 3.21 C ATOM 1503 OH TYR B 37 -1.304 -7.245 -12.595 1.00 4.28 O ATOM 0 H TYR B 37 -3.006 -4.987 -5.155 1.00 0.24 H new ATOM 0 HA TYR B 37 -2.935 -7.818 -6.088 1.00 0.24 H new ATOM 0 HB2 TYR B 37 -4.537 -6.874 -7.455 1.00 0.31 H new ATOM 0 HB3 TYR B 37 -3.813 -5.279 -7.403 1.00 0.31 H new ATOM 0 HD1 TYR B 37 -3.753 -8.552 -9.048 1.00 2.07 H new ATOM 0 HD2 TYR B 37 -1.998 -4.674 -8.952 1.00 1.84 H new ATOM 0 HE1 TYR B 37 -2.766 -8.947 -11.260 1.00 3.02 H new ATOM 0 HE2 TYR B 37 -1.031 -5.056 -11.178 1.00 2.78 H new ATOM 0 HH TYR B 37 -0.794 -6.457 -12.875 1.00 4.28 H new ATOM 1513 N VAL B 38 -0.605 -7.461 -7.095 1.00 0.21 N ATOM 1514 CA VAL B 38 0.847 -7.404 -7.204 1.00 0.20 C ATOM 1515 C VAL B 38 1.265 -7.172 -8.652 1.00 0.20 C ATOM 1516 O VAL B 38 0.699 -7.759 -9.572 1.00 0.26 O ATOM 1517 CB VAL B 38 1.514 -8.683 -6.648 1.00 0.23 C ATOM 1518 CG1 VAL B 38 1.212 -9.903 -7.510 1.00 0.28 C ATOM 1519 CG2 VAL B 38 3.009 -8.460 -6.512 1.00 0.21 C ATOM 0 H VAL B 38 -1.040 -8.247 -7.579 1.00 0.21 H new ATOM 0 HA VAL B 38 1.189 -6.565 -6.599 1.00 0.20 H new ATOM 0 HB VAL B 38 1.095 -8.888 -5.663 1.00 0.23 H new ATOM 0 HG11 VAL B 38 1.700 -10.780 -7.084 1.00 0.28 H new ATOM 0 HG12 VAL B 38 0.135 -10.067 -7.543 1.00 0.28 H new ATOM 0 HG13 VAL B 38 1.585 -9.736 -8.520 1.00 0.28 H new ATOM 0 HG21 VAL B 38 3.477 -9.363 -6.120 1.00 0.21 H new ATOM 0 HG22 VAL B 38 3.432 -8.227 -7.489 1.00 0.21 H new ATOM 0 HG23 VAL B 38 3.192 -7.630 -5.829 1.00 0.21 H new ATOM 1529 N ASP B 39 2.240 -6.299 -8.847 1.00 0.18 N ATOM 1530 CA ASP B 39 2.677 -5.935 -10.186 1.00 0.22 C ATOM 1531 C ASP B 39 4.183 -6.069 -10.325 1.00 0.26 C ATOM 1532 O ASP B 39 4.923 -5.101 -10.173 1.00 0.29 O ATOM 1533 CB ASP B 39 2.223 -4.511 -10.525 1.00 0.24 C ATOM 1534 CG ASP B 39 2.559 -4.103 -11.943 1.00 0.39 C ATOM 1535 OD1 ASP B 39 2.144 -4.808 -12.884 1.00 1.07 O ATOM 1536 OD2 ASP B 39 3.221 -3.061 -12.128 1.00 1.12 O ATOM 0 H ASP B 39 2.744 -5.829 -8.095 1.00 0.18 H new ATOM 0 HA ASP B 39 2.216 -6.624 -10.894 1.00 0.22 H new ATOM 0 HB2 ASP B 39 1.146 -4.434 -10.377 1.00 0.24 H new ATOM 0 HB3 ASP B 39 2.691 -3.812 -9.832 1.00 0.24 H new ATOM 1541 N ASP B 40 4.616 -7.302 -10.578 1.00 0.30 N ATOM 1542 CA ASP B 40 6.023 -7.630 -10.828 1.00 0.36 C ATOM 1543 C ASP B 40 6.917 -7.293 -9.638 1.00 0.39 C ATOM 1544 O ASP B 40 7.190 -8.141 -8.787 1.00 0.46 O ATOM 1545 CB ASP B 40 6.539 -6.902 -12.074 1.00 0.48 C ATOM 1546 CG ASP B 40 7.795 -7.538 -12.635 1.00 0.92 C ATOM 1547 OD1 ASP B 40 8.903 -7.229 -12.150 1.00 1.59 O ATOM 1548 OD2 ASP B 40 7.678 -8.361 -13.569 1.00 1.64 O ATOM 0 H ASP B 40 3.996 -8.111 -10.616 1.00 0.30 H new ATOM 0 HA ASP B 40 6.066 -8.707 -10.989 1.00 0.36 H new ATOM 0 HB2 ASP B 40 5.762 -6.901 -12.839 1.00 0.48 H new ATOM 0 HB3 ASP B 40 6.742 -5.860 -11.825 1.00 0.48 H new ATOM 1553 N GLU B 41 7.360 -6.047 -9.591 1.00 0.45 N ATOM 1554 CA GLU B 41 8.295 -5.587 -8.581 1.00 0.58 C ATOM 1555 C GLU B 41 7.657 -4.535 -7.684 1.00 0.41 C ATOM 1556 O GLU B 41 8.333 -3.899 -6.871 1.00 0.46 O ATOM 1557 CB GLU B 41 9.554 -5.034 -9.262 1.00 0.87 C ATOM 1558 CG GLU B 41 9.283 -4.224 -10.529 1.00 1.33 C ATOM 1559 CD GLU B 41 8.610 -2.890 -10.270 1.00 1.98 C ATOM 1560 OE1 GLU B 41 9.318 -1.924 -9.912 1.00 2.10 O ATOM 1561 OE2 GLU B 41 7.372 -2.798 -10.436 1.00 2.81 O ATOM 0 H GLU B 41 7.080 -5.325 -10.255 1.00 0.45 H new ATOM 0 HA GLU B 41 8.574 -6.430 -7.949 1.00 0.58 H new ATOM 0 HB2 GLU B 41 10.090 -4.405 -8.551 1.00 0.87 H new ATOM 0 HB3 GLU B 41 10.213 -5.866 -9.511 1.00 0.87 H new ATOM 0 HG2 GLU B 41 10.226 -4.050 -11.047 1.00 1.33 H new ATOM 0 HG3 GLU B 41 8.656 -4.813 -11.198 1.00 1.33 H new ATOM 1568 N LYS B 42 6.352 -4.359 -7.828 1.00 0.34 N ATOM 1569 CA LYS B 42 5.642 -3.355 -7.064 1.00 0.31 C ATOM 1570 C LYS B 42 4.305 -3.885 -6.567 1.00 0.24 C ATOM 1571 O LYS B 42 3.850 -4.952 -6.983 1.00 0.27 O ATOM 1572 CB LYS B 42 5.410 -2.112 -7.915 1.00 0.44 C ATOM 1573 CG LYS B 42 4.340 -2.281 -8.975 1.00 0.84 C ATOM 1574 CD LYS B 42 3.855 -0.936 -9.481 1.00 0.92 C ATOM 1575 CE LYS B 42 4.622 -0.436 -10.696 1.00 0.48 C ATOM 1576 NZ LYS B 42 6.100 -0.442 -10.505 1.00 0.98 N ATOM 0 H LYS B 42 5.768 -4.899 -8.466 1.00 0.34 H new ATOM 0 HA LYS B 42 6.256 -3.098 -6.201 1.00 0.31 H new ATOM 0 HB2 LYS B 42 5.133 -1.284 -7.262 1.00 0.44 H new ATOM 0 HB3 LYS B 42 6.347 -1.836 -8.400 1.00 0.44 H new ATOM 0 HG2 LYS B 42 4.736 -2.864 -9.806 1.00 0.84 H new ATOM 0 HG3 LYS B 42 3.501 -2.842 -8.563 1.00 0.84 H new ATOM 0 HD2 LYS B 42 2.797 -1.011 -9.734 1.00 0.92 H new ATOM 0 HD3 LYS B 42 3.940 -0.202 -8.679 1.00 0.92 H new ATOM 0 HE2 LYS B 42 4.371 -1.057 -11.556 1.00 0.48 H new ATOM 0 HE3 LYS B 42 4.297 0.578 -10.930 1.00 0.48 H new ATOM 0 HZ1 LYS B 42 6.551 0.106 -11.265 1.00 0.98 H new ATOM 0 HZ2 LYS B 42 6.333 -0.015 -9.586 1.00 0.98 H new ATOM 0 HZ3 LYS B 42 6.449 -1.421 -10.530 1.00 0.98 H new ATOM 1590 N ILE B 43 3.684 -3.128 -5.678 1.00 0.20 N ATOM 1591 CA ILE B 43 2.396 -3.494 -5.128 1.00 0.19 C ATOM 1592 C ILE B 43 1.326 -2.482 -5.542 1.00 0.18 C ATOM 1593 O ILE B 43 1.576 -1.276 -5.573 1.00 0.20 O ATOM 1594 CB ILE B 43 2.464 -3.570 -3.596 1.00 0.24 C ATOM 1595 CG1 ILE B 43 3.711 -4.343 -3.162 1.00 0.31 C ATOM 1596 CG2 ILE B 43 1.210 -4.236 -3.056 1.00 0.28 C ATOM 1597 CD1 ILE B 43 4.035 -4.184 -1.696 1.00 0.42 C ATOM 0 H ILE B 43 4.058 -2.249 -5.321 1.00 0.20 H new ATOM 0 HA ILE B 43 2.130 -4.475 -5.522 1.00 0.19 H new ATOM 0 HB ILE B 43 2.526 -2.560 -3.191 1.00 0.24 H new ATOM 0 HG12 ILE B 43 3.569 -5.401 -3.382 1.00 0.31 H new ATOM 0 HG13 ILE B 43 4.562 -4.006 -3.753 1.00 0.31 H new ATOM 0 HG21 ILE B 43 1.265 -4.287 -1.969 1.00 0.28 H new ATOM 0 HG22 ILE B 43 0.335 -3.656 -3.349 1.00 0.28 H new ATOM 0 HG23 ILE B 43 1.129 -5.244 -3.463 1.00 0.28 H new ATOM 0 HD11 ILE B 43 4.930 -4.758 -1.457 1.00 0.42 H new ATOM 0 HD12 ILE B 43 4.209 -3.131 -1.474 1.00 0.42 H new ATOM 0 HD13 ILE B 43 3.200 -4.548 -1.097 1.00 0.42 H new ATOM 1609 N ILE B 44 0.145 -2.985 -5.873 1.00 0.17 N ATOM 1610 CA ILE B 44 -0.968 -2.149 -6.311 1.00 0.17 C ATOM 1611 C ILE B 44 -2.123 -2.285 -5.330 1.00 0.18 C ATOM 1612 O ILE B 44 -2.685 -3.364 -5.191 1.00 0.24 O ATOM 1613 CB ILE B 44 -1.478 -2.559 -7.715 1.00 0.21 C ATOM 1614 CG1 ILE B 44 -0.314 -2.779 -8.686 1.00 0.25 C ATOM 1615 CG2 ILE B 44 -2.429 -1.502 -8.257 1.00 0.25 C ATOM 1616 CD1 ILE B 44 0.526 -1.548 -8.936 1.00 0.25 C ATOM 0 H ILE B 44 -0.070 -3.982 -5.846 1.00 0.17 H new ATOM 0 HA ILE B 44 -0.607 -1.121 -6.354 1.00 0.17 H new ATOM 0 HB ILE B 44 -2.015 -3.503 -7.618 1.00 0.21 H new ATOM 0 HG12 ILE B 44 0.327 -3.569 -8.294 1.00 0.25 H new ATOM 0 HG13 ILE B 44 -0.711 -3.133 -9.637 1.00 0.25 H new ATOM 0 HG21 ILE B 44 -2.781 -1.801 -9.244 1.00 0.25 H new ATOM 0 HG22 ILE B 44 -3.280 -1.399 -7.584 1.00 0.25 H new ATOM 0 HG23 ILE B 44 -1.908 -0.548 -8.331 1.00 0.25 H new ATOM 0 HD11 ILE B 44 1.328 -1.790 -9.634 1.00 0.25 H new ATOM 0 HD12 ILE B 44 -0.098 -0.761 -9.359 1.00 0.25 H new ATOM 0 HD13 ILE B 44 0.956 -1.204 -7.995 1.00 0.25 H new ATOM 1628 N LEU B 45 -2.488 -1.213 -4.651 1.00 0.19 N ATOM 1629 CA LEU B 45 -3.582 -1.288 -3.692 1.00 0.20 C ATOM 1630 C LEU B 45 -4.726 -0.408 -4.149 1.00 0.21 C ATOM 1631 O LEU B 45 -4.618 0.818 -4.154 1.00 0.29 O ATOM 1632 CB LEU B 45 -3.168 -0.834 -2.292 1.00 0.36 C ATOM 1633 CG LEU B 45 -1.694 -0.986 -1.933 1.00 0.43 C ATOM 1634 CD1 LEU B 45 -1.414 -0.300 -0.610 1.00 1.29 C ATOM 1635 CD2 LEU B 45 -1.306 -2.447 -1.855 1.00 1.22 C ATOM 0 H LEU B 45 -2.054 -0.294 -4.740 1.00 0.19 H new ATOM 0 HA LEU B 45 -3.882 -2.335 -3.642 1.00 0.20 H new ATOM 0 HB2 LEU B 45 -3.439 0.216 -2.180 1.00 0.36 H new ATOM 0 HB3 LEU B 45 -3.755 -1.394 -1.565 1.00 0.36 H new ATOM 0 HG LEU B 45 -1.097 -0.517 -2.715 1.00 0.43 H new ATOM 0 HD11 LEU B 45 -0.359 -0.412 -0.358 1.00 1.29 H new ATOM 0 HD12 LEU B 45 -1.658 0.759 -0.691 1.00 1.29 H new ATOM 0 HD13 LEU B 45 -2.024 -0.754 0.171 1.00 1.29 H new ATOM 0 HD21 LEU B 45 -0.250 -2.530 -1.598 1.00 1.22 H new ATOM 0 HD22 LEU B 45 -1.906 -2.942 -1.091 1.00 1.22 H new ATOM 0 HD23 LEU B 45 -1.483 -2.922 -2.820 1.00 1.22 H new ATOM 1647 N LYS B 46 -5.804 -1.035 -4.547 1.00 0.20 N ATOM 1648 CA LYS B 46 -7.022 -0.324 -4.856 1.00 0.25 C ATOM 1649 C LYS B 46 -7.906 -0.355 -3.628 1.00 0.29 C ATOM 1650 O LYS B 46 -7.670 -1.138 -2.721 1.00 0.52 O ATOM 1651 CB LYS B 46 -7.723 -0.995 -6.040 1.00 0.31 C ATOM 1652 CG LYS B 46 -8.911 -0.228 -6.590 1.00 0.63 C ATOM 1653 CD LYS B 46 -9.656 -1.071 -7.601 1.00 0.65 C ATOM 1654 CE LYS B 46 -10.428 -2.178 -6.907 1.00 0.97 C ATOM 1655 NZ LYS B 46 -10.967 -3.170 -7.868 1.00 1.22 N ATOM 0 H LYS B 46 -5.864 -2.046 -4.666 1.00 0.20 H new ATOM 0 HA LYS B 46 -6.807 0.709 -5.130 1.00 0.25 H new ATOM 0 HB2 LYS B 46 -6.998 -1.138 -6.841 1.00 0.31 H new ATOM 0 HB3 LYS B 46 -8.058 -1.986 -5.733 1.00 0.31 H new ATOM 0 HG2 LYS B 46 -9.580 0.053 -5.776 1.00 0.63 H new ATOM 0 HG3 LYS B 46 -8.571 0.697 -7.057 1.00 0.63 H new ATOM 0 HD2 LYS B 46 -10.342 -0.444 -8.171 1.00 0.65 H new ATOM 0 HD3 LYS B 46 -8.952 -1.502 -8.313 1.00 0.65 H new ATOM 0 HE2 LYS B 46 -9.776 -2.682 -6.194 1.00 0.97 H new ATOM 0 HE3 LYS B 46 -11.249 -1.744 -6.336 1.00 0.97 H new ATOM 0 HZ1 LYS B 46 -11.487 -3.908 -7.351 1.00 1.22 H new ATOM 0 HZ2 LYS B 46 -11.610 -2.695 -8.533 1.00 1.22 H new ATOM 0 HZ3 LYS B 46 -10.183 -3.604 -8.395 1.00 1.22 H new ATOM 1669 N LYS B 47 -8.878 0.519 -3.570 1.00 0.23 N ATOM 1670 CA LYS B 47 -9.907 0.422 -2.544 1.00 0.25 C ATOM 1671 C LYS B 47 -10.731 -0.831 -2.793 1.00 0.26 C ATOM 1672 O LYS B 47 -10.890 -1.250 -3.940 1.00 0.28 O ATOM 1673 CB LYS B 47 -10.816 1.652 -2.596 1.00 0.31 C ATOM 1674 CG LYS B 47 -11.450 1.861 -3.965 1.00 1.18 C ATOM 1675 CD LYS B 47 -12.291 3.123 -4.017 1.00 1.15 C ATOM 1676 CE LYS B 47 -12.855 3.343 -5.413 1.00 2.19 C ATOM 1677 NZ LYS B 47 -13.525 4.662 -5.554 1.00 2.50 N ATOM 0 H LYS B 47 -8.986 1.304 -4.212 1.00 0.23 H new ATOM 0 HA LYS B 47 -9.439 0.372 -1.561 1.00 0.25 H new ATOM 0 HB2 LYS B 47 -11.603 1.548 -1.849 1.00 0.31 H new ATOM 0 HB3 LYS B 47 -10.238 2.537 -2.330 1.00 0.31 H new ATOM 0 HG2 LYS B 47 -10.668 1.916 -4.722 1.00 1.18 H new ATOM 0 HG3 LYS B 47 -12.072 1.001 -4.211 1.00 1.18 H new ATOM 0 HD2 LYS B 47 -13.107 3.051 -3.298 1.00 1.15 H new ATOM 0 HD3 LYS B 47 -11.685 3.981 -3.726 1.00 1.15 H new ATOM 0 HE2 LYS B 47 -12.049 3.268 -6.143 1.00 2.19 H new ATOM 0 HE3 LYS B 47 -13.567 2.551 -5.643 1.00 2.19 H new ATOM 0 HZ1 LYS B 47 -13.892 4.763 -6.522 1.00 2.50 H new ATOM 0 HZ2 LYS B 47 -14.312 4.726 -4.877 1.00 2.50 H new ATOM 0 HZ3 LYS B 47 -12.841 5.421 -5.362 1.00 2.50 H new ATOM 1691 N TYR B 48 -11.234 -1.444 -1.735 1.00 0.33 N ATOM 1692 CA TYR B 48 -12.137 -2.561 -1.900 1.00 0.40 C ATOM 1693 C TYR B 48 -13.415 -2.061 -2.547 1.00 0.51 C ATOM 1694 O TYR B 48 -14.022 -1.110 -2.058 1.00 0.62 O ATOM 1695 CB TYR B 48 -12.446 -3.212 -0.549 1.00 0.54 C ATOM 1696 CG TYR B 48 -13.460 -4.331 -0.624 1.00 1.10 C ATOM 1697 CD1 TYR B 48 -13.145 -5.543 -1.224 1.00 2.03 C ATOM 1698 CD2 TYR B 48 -14.736 -4.173 -0.096 1.00 1.59 C ATOM 1699 CE1 TYR B 48 -14.070 -6.566 -1.294 1.00 2.67 C ATOM 1700 CE2 TYR B 48 -15.667 -5.190 -0.161 1.00 2.26 C ATOM 1701 CZ TYR B 48 -15.330 -6.385 -0.763 1.00 2.61 C ATOM 1702 OH TYR B 48 -16.255 -7.403 -0.828 1.00 3.39 O ATOM 0 H TYR B 48 -11.034 -1.189 -0.768 1.00 0.33 H new ATOM 0 HA TYR B 48 -11.670 -3.314 -2.534 1.00 0.40 H new ATOM 0 HB2 TYR B 48 -11.521 -3.602 -0.125 1.00 0.54 H new ATOM 0 HB3 TYR B 48 -12.813 -2.448 0.136 1.00 0.54 H new ATOM 0 HD1 TYR B 48 -12.160 -5.688 -1.643 1.00 2.03 H new ATOM 0 HD2 TYR B 48 -15.004 -3.238 0.373 1.00 1.59 H new ATOM 0 HE1 TYR B 48 -13.808 -7.503 -1.762 1.00 2.67 H new ATOM 0 HE2 TYR B 48 -16.653 -5.051 0.257 1.00 2.26 H new ATOM 0 HH TYR B 48 -17.091 -7.113 -0.407 1.00 3.39 H new