USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=12 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 91:sc= 0.848 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.981 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 74:sc= 1.29 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 53:sc= 1.28 USER MOD Single : A 42 LYS NZ :NH3+ 177:sc= 2.07 (180deg=1.9) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 80:sc= 0.923 USER MOD Single : B 4 THR OG1 : rot 180:sc= -0.394 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 THR OG1 : rot 75:sc= 1.23 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+ -160:sc= 1.16 (180deg=0.85) 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 -1.222 -12.475 -3.408 1.00 0.48 N ATOM 43 CA SER A 3 -1.565 -11.160 -3.917 1.00 0.40 C ATOM 44 C SER A 3 -2.462 -11.237 -5.144 1.00 0.40 C ATOM 45 O SER A 3 -3.012 -12.290 -5.474 1.00 0.46 O ATOM 46 CB SER A 3 -0.276 -10.426 -4.267 1.00 0.41 C ATOM 47 OG SER A 3 0.559 -10.347 -3.132 1.00 0.44 O ATOM 0 HA SER A 3 -2.120 -10.625 -3.146 1.00 0.40 H new ATOM 0 HB2 SER A 3 0.241 -10.947 -5.073 1.00 0.41 H new ATOM 0 HB3 SER A 3 -0.506 -9.424 -4.630 1.00 0.41 H new ATOM 0 HG SER A 3 1.158 -11.122 -3.112 1.00 0.44 H new ATOM 53 N THR A 4 -2.599 -10.101 -5.800 1.00 0.37 N ATOM 54 CA THR A 4 -3.364 -9.984 -7.024 1.00 0.37 C ATOM 55 C THR A 4 -4.868 -10.092 -6.755 1.00 0.37 C ATOM 56 O THR A 4 -5.546 -10.998 -7.238 1.00 0.48 O ATOM 57 CB THR A 4 -2.925 -11.020 -8.080 1.00 0.39 C ATOM 58 OG1 THR A 4 -1.491 -11.104 -8.108 1.00 0.35 O ATOM 59 CG2 THR A 4 -3.427 -10.624 -9.459 1.00 0.45 C ATOM 0 H THR A 4 -2.177 -9.224 -5.494 1.00 0.37 H new ATOM 0 HA THR A 4 -3.160 -8.993 -7.429 1.00 0.37 H new ATOM 0 HB THR A 4 -3.350 -11.987 -7.812 1.00 0.39 H new ATOM 0 HG1 THR A 4 -1.215 -11.764 -8.778 1.00 0.35 H new ATOM 0 HG21 THR A 4 -3.107 -11.367 -10.190 1.00 0.45 H new ATOM 0 HG22 THR A 4 -4.516 -10.571 -9.448 1.00 0.45 H new ATOM 0 HG23 THR A 4 -3.019 -9.650 -9.729 1.00 0.45 H new ATOM 67 N GLY A 5 -5.370 -9.167 -5.951 1.00 0.31 N ATOM 68 CA GLY A 5 -6.786 -9.092 -5.699 1.00 0.30 C ATOM 69 C GLY A 5 -7.151 -9.635 -4.339 1.00 0.28 C ATOM 70 O GLY A 5 -8.198 -10.260 -4.174 1.00 0.32 O ATOM 0 H GLY A 5 -4.813 -8.463 -5.467 1.00 0.31 H new ATOM 0 HA2 GLY A 5 -7.113 -8.055 -5.774 1.00 0.30 H new ATOM 0 HA3 GLY A 5 -7.320 -9.651 -6.467 1.00 0.30 H new ATOM 74 N ILE A 6 -6.286 -9.399 -3.362 1.00 0.27 N ATOM 75 CA ILE A 6 -6.541 -9.845 -2.006 1.00 0.28 C ATOM 76 C ILE A 6 -6.943 -8.663 -1.132 1.00 0.27 C ATOM 77 O ILE A 6 -6.335 -7.598 -1.193 1.00 0.40 O ATOM 78 CB ILE A 6 -5.316 -10.560 -1.392 1.00 0.34 C ATOM 79 CG1 ILE A 6 -5.715 -11.206 -0.067 1.00 0.38 C ATOM 80 CG2 ILE A 6 -4.145 -9.605 -1.188 1.00 0.35 C ATOM 81 CD1 ILE A 6 -6.517 -12.475 -0.230 1.00 0.49 C ATOM 0 H ILE A 6 -5.404 -8.902 -3.486 1.00 0.27 H new ATOM 0 HA ILE A 6 -7.358 -10.565 -2.047 1.00 0.28 H new ATOM 0 HB ILE A 6 -4.986 -11.329 -2.090 1.00 0.34 H new ATOM 0 HG12 ILE A 6 -4.814 -11.427 0.506 1.00 0.38 H new ATOM 0 HG13 ILE A 6 -6.296 -10.491 0.516 1.00 0.38 H new ATOM 0 HG21 ILE A 6 -3.305 -10.147 -0.755 1.00 0.35 H new ATOM 0 HG22 ILE A 6 -3.848 -9.183 -2.148 1.00 0.35 H new ATOM 0 HG23 ILE A 6 -4.444 -8.801 -0.515 1.00 0.35 H new ATOM 0 HD11 ILE A 6 -6.765 -12.878 0.752 1.00 0.49 H new ATOM 0 HD12 ILE A 6 -7.436 -12.257 -0.775 1.00 0.49 H new ATOM 0 HD13 ILE A 6 -5.931 -13.207 -0.785 1.00 0.49 H new ATOM 93 N VAL A 7 -7.976 -8.843 -0.332 1.00 0.24 N ATOM 94 CA VAL A 7 -8.493 -7.760 0.483 1.00 0.24 C ATOM 95 C VAL A 7 -7.871 -7.768 1.879 1.00 0.27 C ATOM 96 O VAL A 7 -7.812 -8.807 2.546 1.00 0.34 O ATOM 97 CB VAL A 7 -10.035 -7.819 0.574 1.00 0.30 C ATOM 98 CG1 VAL A 7 -10.511 -9.100 1.254 1.00 0.37 C ATOM 99 CG2 VAL A 7 -10.569 -6.600 1.300 1.00 0.34 C ATOM 0 H VAL A 7 -8.473 -9.727 -0.229 1.00 0.24 H new ATOM 0 HA VAL A 7 -8.216 -6.825 -0.003 1.00 0.24 H new ATOM 0 HB VAL A 7 -10.427 -7.823 -0.443 1.00 0.30 H new ATOM 0 HG11 VAL A 7 -11.600 -9.105 1.299 1.00 0.37 H new ATOM 0 HG12 VAL A 7 -10.168 -9.964 0.684 1.00 0.37 H new ATOM 0 HG13 VAL A 7 -10.106 -9.148 2.265 1.00 0.37 H new ATOM 0 HG21 VAL A 7 -11.656 -6.657 1.356 1.00 0.34 H new ATOM 0 HG22 VAL A 7 -10.155 -6.567 2.308 1.00 0.34 H new ATOM 0 HG23 VAL A 7 -10.280 -5.699 0.759 1.00 0.34 H new ATOM 109 N ARG A 8 -7.369 -6.615 2.299 1.00 0.26 N ATOM 110 CA ARG A 8 -6.808 -6.455 3.632 1.00 0.32 C ATOM 111 C ARG A 8 -7.395 -5.235 4.322 1.00 0.27 C ATOM 112 O ARG A 8 -8.018 -4.387 3.682 1.00 0.22 O ATOM 113 CB ARG A 8 -5.285 -6.328 3.586 1.00 0.40 C ATOM 114 CG ARG A 8 -4.559 -7.645 3.778 1.00 0.53 C ATOM 115 CD ARG A 8 -4.485 -8.443 2.491 1.00 0.54 C ATOM 116 NE ARG A 8 -3.933 -9.777 2.712 1.00 0.76 N ATOM 117 CZ ARG A 8 -2.664 -10.024 3.028 1.00 1.02 C ATOM 118 NH1 ARG A 8 -1.796 -9.026 3.178 1.00 1.96 N ATOM 119 NH2 ARG A 8 -2.268 -11.276 3.214 1.00 1.11 N ATOM 0 H ARG A 8 -7.339 -5.770 1.729 1.00 0.26 H new ATOM 0 HA ARG A 8 -7.066 -7.349 4.199 1.00 0.32 H new ATOM 0 HB2 ARG A 8 -4.994 -5.899 2.627 1.00 0.40 H new ATOM 0 HB3 ARG A 8 -4.964 -5.630 4.359 1.00 0.40 H new ATOM 0 HG2 ARG A 8 -3.551 -7.453 4.145 1.00 0.53 H new ATOM 0 HG3 ARG A 8 -5.069 -8.233 4.541 1.00 0.53 H new ATOM 0 HD2 ARG A 8 -5.482 -8.529 2.059 1.00 0.54 H new ATOM 0 HD3 ARG A 8 -3.869 -7.910 1.767 1.00 0.54 H new ATOM 0 HE ARG A 8 -4.563 -10.574 2.618 1.00 0.76 H new ATOM 0 HH11 ARG A 8 -2.101 -8.061 3.051 1.00 1.96 H new ATOM 0 HH12 ARG A 8 -0.826 -9.226 3.420 1.00 1.96 H new ATOM 0 HH21 ARG A 8 -2.934 -12.042 3.115 1.00 1.11 H new ATOM 0 HH22 ARG A 8 -1.297 -11.473 3.456 1.00 1.11 H new ATOM 133 N LYS A 9 -7.184 -5.158 5.623 1.00 0.31 N ATOM 134 CA LYS A 9 -7.686 -4.058 6.432 1.00 0.27 C ATOM 135 C LYS A 9 -6.674 -2.914 6.436 1.00 0.23 C ATOM 136 O LYS A 9 -5.493 -3.128 6.137 1.00 0.26 O ATOM 137 CB LYS A 9 -7.914 -4.558 7.862 1.00 0.30 C ATOM 138 CG LYS A 9 -8.843 -3.696 8.698 1.00 1.16 C ATOM 139 CD LYS A 9 -10.247 -3.653 8.117 1.00 0.84 C ATOM 140 CE LYS A 9 -10.708 -5.021 7.646 1.00 0.59 C ATOM 141 NZ LYS A 9 -12.142 -5.022 7.255 1.00 0.73 N ATOM 0 H LYS A 9 -6.660 -5.856 6.151 1.00 0.31 H new ATOM 0 HA LYS A 9 -8.625 -3.693 6.016 1.00 0.27 H new ATOM 0 HB2 LYS A 9 -8.320 -5.568 7.818 1.00 0.30 H new ATOM 0 HB3 LYS A 9 -6.950 -4.624 8.367 1.00 0.30 H new ATOM 0 HG2 LYS A 9 -8.882 -4.085 9.716 1.00 1.16 H new ATOM 0 HG3 LYS A 9 -8.443 -2.684 8.759 1.00 1.16 H new ATOM 0 HD2 LYS A 9 -10.940 -3.276 8.869 1.00 0.84 H new ATOM 0 HD3 LYS A 9 -10.273 -2.954 7.281 1.00 0.84 H new ATOM 0 HE2 LYS A 9 -10.101 -5.336 6.797 1.00 0.59 H new ATOM 0 HE3 LYS A 9 -10.548 -5.750 8.440 1.00 0.59 H new ATOM 0 HZ1 LYS A 9 -12.415 -5.975 6.940 1.00 0.73 H new ATOM 0 HZ2 LYS A 9 -12.725 -4.747 8.071 1.00 0.73 H new ATOM 0 HZ3 LYS A 9 -12.291 -4.345 6.480 1.00 0.73 H new ATOM 155 N VAL A 10 -7.125 -1.706 6.763 1.00 0.20 N ATOM 156 CA VAL A 10 -6.213 -0.592 6.940 1.00 0.21 C ATOM 157 C VAL A 10 -5.617 -0.663 8.353 1.00 0.24 C ATOM 158 O VAL A 10 -4.964 -1.648 8.710 1.00 0.44 O ATOM 159 CB VAL A 10 -6.903 0.785 6.730 1.00 0.20 C ATOM 160 CG1 VAL A 10 -5.887 1.840 6.328 1.00 0.22 C ATOM 161 CG2 VAL A 10 -8.024 0.703 5.706 1.00 0.20 C ATOM 0 H VAL A 10 -8.109 -1.480 6.909 1.00 0.20 H new ATOM 0 HA VAL A 10 -5.432 -0.674 6.184 1.00 0.21 H new ATOM 0 HB VAL A 10 -7.348 1.076 7.682 1.00 0.20 H new ATOM 0 HG11 VAL A 10 -6.392 2.796 6.186 1.00 0.22 H new ATOM 0 HG12 VAL A 10 -5.136 1.939 7.112 1.00 0.22 H new ATOM 0 HG13 VAL A 10 -5.403 1.543 5.397 1.00 0.22 H new ATOM 0 HG21 VAL A 10 -8.481 1.685 5.588 1.00 0.20 H new ATOM 0 HG22 VAL A 10 -7.619 0.373 4.749 1.00 0.20 H new ATOM 0 HG23 VAL A 10 -8.776 -0.009 6.046 1.00 0.20 H new ATOM 171 N ASP A 11 -5.874 0.361 9.157 1.00 0.24 N ATOM 172 CA ASP A 11 -5.444 0.394 10.553 1.00 0.23 C ATOM 173 C ASP A 11 -5.999 1.629 11.227 1.00 0.24 C ATOM 174 O ASP A 11 -6.882 1.543 12.077 1.00 0.24 O ATOM 175 CB ASP A 11 -3.918 0.380 10.679 1.00 0.40 C ATOM 176 CG ASP A 11 -3.451 0.438 12.124 1.00 0.61 C ATOM 177 OD1 ASP A 11 -4.128 -0.150 12.999 1.00 1.32 O ATOM 178 OD2 ASP A 11 -2.411 1.080 12.390 1.00 1.15 O ATOM 0 H ASP A 11 -6.386 1.192 8.862 1.00 0.24 H new ATOM 0 HA ASP A 11 -5.827 -0.502 11.041 1.00 0.23 H new ATOM 0 HB2 ASP A 11 -3.527 -0.523 10.210 1.00 0.40 H new ATOM 0 HB3 ASP A 11 -3.504 1.228 10.133 1.00 0.40 H new ATOM 183 N GLU A 12 -5.480 2.778 10.823 1.00 0.30 N ATOM 184 CA GLU A 12 -5.986 4.062 11.281 1.00 0.33 C ATOM 185 C GLU A 12 -5.676 5.141 10.268 1.00 0.31 C ATOM 186 O GLU A 12 -6.520 5.522 9.459 1.00 0.35 O ATOM 187 CB GLU A 12 -5.395 4.465 12.642 1.00 0.39 C ATOM 188 CG GLU A 12 -4.145 3.705 13.047 1.00 0.43 C ATOM 189 CD GLU A 12 -3.680 4.075 14.439 1.00 0.56 C ATOM 190 OE1 GLU A 12 -4.310 3.620 15.418 1.00 1.39 O ATOM 191 OE2 GLU A 12 -2.690 4.824 14.558 1.00 1.08 O ATOM 0 H GLU A 12 -4.699 2.847 10.171 1.00 0.30 H new ATOM 0 HA GLU A 12 -7.065 3.955 11.396 1.00 0.33 H new ATOM 0 HB2 GLU A 12 -5.164 5.530 12.620 1.00 0.39 H new ATOM 0 HB3 GLU A 12 -6.155 4.320 13.409 1.00 0.39 H new ATOM 0 HG2 GLU A 12 -4.343 2.634 13.004 1.00 0.43 H new ATOM 0 HG3 GLU A 12 -3.348 3.911 12.332 1.00 0.43 H new ATOM 198 N LEU A 13 -4.434 5.586 10.295 1.00 0.31 N ATOM 199 CA LEU A 13 -4.003 6.738 9.525 1.00 0.32 C ATOM 200 C LEU A 13 -3.691 6.386 8.069 1.00 0.35 C ATOM 201 O LEU A 13 -3.318 7.257 7.286 1.00 0.60 O ATOM 202 CB LEU A 13 -2.780 7.373 10.197 1.00 0.37 C ATOM 203 CG LEU A 13 -1.444 6.636 10.006 1.00 0.43 C ATOM 204 CD1 LEU A 13 -0.290 7.513 10.465 1.00 0.54 C ATOM 205 CD2 LEU A 13 -1.426 5.315 10.764 1.00 0.43 C ATOM 0 H LEU A 13 -3.694 5.158 10.852 1.00 0.31 H new ATOM 0 HA LEU A 13 -4.827 7.451 9.505 1.00 0.32 H new ATOM 0 HB2 LEU A 13 -2.669 8.389 9.817 1.00 0.37 H new ATOM 0 HB3 LEU A 13 -2.978 7.452 11.266 1.00 0.37 H new ATOM 0 HG LEU A 13 -1.331 6.419 8.944 1.00 0.43 H new ATOM 0 HD11 LEU A 13 0.650 6.980 10.325 1.00 0.54 H new ATOM 0 HD12 LEU A 13 -0.277 8.432 9.880 1.00 0.54 H new ATOM 0 HD13 LEU A 13 -0.415 7.756 11.520 1.00 0.54 H new ATOM 0 HD21 LEU A 13 -0.468 4.819 10.608 1.00 0.43 H new ATOM 0 HD22 LEU A 13 -1.568 5.504 11.828 1.00 0.43 H new ATOM 0 HD23 LEU A 13 -2.229 4.675 10.399 1.00 0.43 H new ATOM 217 N GLY A 14 -3.848 5.119 7.706 1.00 0.20 N ATOM 218 CA GLY A 14 -3.606 4.721 6.332 1.00 0.24 C ATOM 219 C GLY A 14 -2.814 3.445 6.216 1.00 0.22 C ATOM 220 O GLY A 14 -2.862 2.788 5.190 1.00 0.34 O ATOM 0 H GLY A 14 -4.136 4.366 8.331 1.00 0.20 H new ATOM 0 HA2 GLY A 14 -4.562 4.596 5.823 1.00 0.24 H new ATOM 0 HA3 GLY A 14 -3.073 5.520 5.817 1.00 0.24 H new ATOM 224 N ARG A 15 -2.088 3.087 7.268 1.00 0.15 N ATOM 225 CA ARG A 15 -1.240 1.895 7.237 1.00 0.17 C ATOM 226 C ARG A 15 -2.019 0.651 6.818 1.00 0.16 C ATOM 227 O ARG A 15 -2.815 0.121 7.587 1.00 0.18 O ATOM 228 CB ARG A 15 -0.587 1.659 8.596 1.00 0.20 C ATOM 229 CG ARG A 15 0.911 1.849 8.571 1.00 0.23 C ATOM 230 CD ARG A 15 1.504 1.792 9.964 1.00 0.29 C ATOM 231 NE ARG A 15 2.920 2.148 9.966 1.00 0.59 N ATOM 232 CZ ARG A 15 3.502 2.902 10.898 1.00 0.78 C ATOM 233 NH1 ARG A 15 2.795 3.344 11.935 1.00 0.82 N ATOM 234 NH2 ARG A 15 4.793 3.201 10.790 1.00 1.26 N ATOM 0 H ARG A 15 -2.067 3.599 8.150 1.00 0.15 H new ATOM 0 HA ARG A 15 -0.466 2.076 6.492 1.00 0.17 H new ATOM 0 HB2 ARG A 15 -1.022 2.342 9.326 1.00 0.20 H new ATOM 0 HB3 ARG A 15 -0.814 0.647 8.931 1.00 0.20 H new ATOM 0 HG2 ARG A 15 1.366 1.078 7.950 1.00 0.23 H new ATOM 0 HG3 ARG A 15 1.149 2.809 8.113 1.00 0.23 H new ATOM 0 HD2 ARG A 15 0.958 2.470 10.619 1.00 0.29 H new ATOM 0 HD3 ARG A 15 1.381 0.788 10.370 1.00 0.29 H new ATOM 0 HE ARG A 15 3.501 1.797 9.205 1.00 0.59 H new ATOM 0 HH11 ARG A 15 1.807 3.106 12.017 1.00 0.82 H new ATOM 0 HH12 ARG A 15 3.241 3.921 12.648 1.00 0.82 H new ATOM 0 HH21 ARG A 15 5.332 2.854 9.997 1.00 1.26 H new ATOM 0 HH22 ARG A 15 5.244 3.778 11.500 1.00 1.26 H new ATOM 248 N VAL A 16 -1.786 0.197 5.595 1.00 0.16 N ATOM 249 CA VAL A 16 -2.449 -0.994 5.076 1.00 0.16 C ATOM 250 C VAL A 16 -1.496 -2.184 5.119 1.00 0.16 C ATOM 251 O VAL A 16 -0.294 -2.035 4.891 1.00 0.15 O ATOM 252 CB VAL A 16 -2.965 -0.775 3.633 1.00 0.17 C ATOM 253 CG1 VAL A 16 -1.816 -0.490 2.680 1.00 1.04 C ATOM 254 CG2 VAL A 16 -3.779 -1.974 3.166 1.00 0.97 C ATOM 0 H VAL A 16 -1.140 0.637 4.940 1.00 0.16 H new ATOM 0 HA VAL A 16 -3.312 -1.200 5.710 1.00 0.16 H new ATOM 0 HB VAL A 16 -3.618 0.098 3.635 1.00 0.17 H new ATOM 0 HG11 VAL A 16 -2.207 -0.340 1.674 1.00 1.04 H new ATOM 0 HG12 VAL A 16 -1.290 0.409 3.003 1.00 1.04 H new ATOM 0 HG13 VAL A 16 -1.126 -1.334 2.679 1.00 1.04 H new ATOM 0 HG21 VAL A 16 -4.132 -1.800 2.150 1.00 0.97 H new ATOM 0 HG22 VAL A 16 -3.155 -2.867 3.185 1.00 0.97 H new ATOM 0 HG23 VAL A 16 -4.633 -2.114 3.828 1.00 0.97 H new ATOM 264 N VAL A 17 -2.030 -3.358 5.428 1.00 0.17 N ATOM 265 CA VAL A 17 -1.206 -4.541 5.630 1.00 0.18 C ATOM 266 C VAL A 17 -0.725 -5.137 4.303 1.00 0.19 C ATOM 267 O VAL A 17 -1.488 -5.796 3.588 1.00 0.25 O ATOM 268 CB VAL A 17 -1.966 -5.631 6.418 1.00 0.21 C ATOM 269 CG1 VAL A 17 -1.077 -6.840 6.672 1.00 0.23 C ATOM 270 CG2 VAL A 17 -2.504 -5.076 7.727 1.00 0.22 C ATOM 0 H VAL A 17 -3.031 -3.516 5.544 1.00 0.17 H new ATOM 0 HA VAL A 17 -0.340 -4.213 6.206 1.00 0.18 H new ATOM 0 HB VAL A 17 -2.812 -5.955 5.811 1.00 0.21 H new ATOM 0 HG11 VAL A 17 -1.636 -7.592 7.228 1.00 0.23 H new ATOM 0 HG12 VAL A 17 -0.753 -7.260 5.720 1.00 0.23 H new ATOM 0 HG13 VAL A 17 -0.205 -6.535 7.250 1.00 0.23 H new ATOM 0 HG21 VAL A 17 -3.035 -5.862 8.264 1.00 0.22 H new ATOM 0 HG22 VAL A 17 -1.676 -4.715 8.337 1.00 0.22 H new ATOM 0 HG23 VAL A 17 -3.187 -4.252 7.520 1.00 0.22 H new ATOM 280 N ILE A 18 0.537 -4.888 3.975 1.00 0.17 N ATOM 281 CA ILE A 18 1.175 -5.497 2.815 1.00 0.21 C ATOM 282 C ILE A 18 1.410 -6.986 3.057 1.00 0.17 C ATOM 283 O ILE A 18 1.882 -7.375 4.128 1.00 0.18 O ATOM 284 CB ILE A 18 2.529 -4.818 2.509 1.00 0.30 C ATOM 285 CG1 ILE A 18 2.323 -3.343 2.165 1.00 0.36 C ATOM 286 CG2 ILE A 18 3.252 -5.532 1.381 1.00 0.39 C ATOM 287 CD1 ILE A 18 1.560 -3.109 0.879 1.00 0.62 C ATOM 0 H ILE A 18 1.144 -4.261 4.503 1.00 0.17 H new ATOM 0 HA ILE A 18 0.508 -5.364 1.963 1.00 0.21 H new ATOM 0 HB ILE A 18 3.150 -4.882 3.403 1.00 0.30 H new ATOM 0 HG12 ILE A 18 1.789 -2.861 2.984 1.00 0.36 H new ATOM 0 HG13 ILE A 18 3.297 -2.859 2.090 1.00 0.36 H new ATOM 0 HG21 ILE A 18 4.202 -5.035 1.185 1.00 0.39 H new ATOM 0 HG22 ILE A 18 3.437 -6.568 1.665 1.00 0.39 H new ATOM 0 HG23 ILE A 18 2.637 -5.507 0.481 1.00 0.39 H new ATOM 0 HD11 ILE A 18 1.457 -2.038 0.707 1.00 0.62 H new ATOM 0 HD12 ILE A 18 2.102 -3.559 0.047 1.00 0.62 H new ATOM 0 HD13 ILE A 18 0.571 -3.561 0.955 1.00 0.62 H new ATOM 299 N PRO A 19 1.041 -7.838 2.081 1.00 0.22 N ATOM 300 CA PRO A 19 1.322 -9.272 2.127 1.00 0.24 C ATOM 301 C PRO A 19 2.765 -9.584 2.496 1.00 0.23 C ATOM 302 O PRO A 19 3.697 -8.902 2.056 1.00 0.20 O ATOM 303 CB PRO A 19 1.056 -9.726 0.705 1.00 0.28 C ATOM 304 CG PRO A 19 -0.002 -8.802 0.222 1.00 0.31 C ATOM 305 CD PRO A 19 0.292 -7.472 0.864 1.00 0.29 C ATOM 0 HA PRO A 19 0.716 -9.769 2.885 1.00 0.24 H new ATOM 0 HB2 PRO A 19 1.954 -9.660 0.091 1.00 0.28 H new ATOM 0 HB3 PRO A 19 0.724 -10.764 0.673 1.00 0.28 H new ATOM 0 HG2 PRO A 19 0.013 -8.724 -0.865 1.00 0.31 H new ATOM 0 HG3 PRO A 19 -0.992 -9.161 0.502 1.00 0.31 H new ATOM 0 HD2 PRO A 19 0.880 -6.830 0.208 1.00 0.29 H new ATOM 0 HD3 PRO A 19 -0.623 -6.930 1.103 1.00 0.29 H new ATOM 313 N ILE A 20 2.942 -10.632 3.281 1.00 0.28 N ATOM 314 CA ILE A 20 4.270 -11.071 3.680 1.00 0.30 C ATOM 315 C ILE A 20 5.086 -11.465 2.448 1.00 0.29 C ATOM 316 O ILE A 20 6.288 -11.237 2.395 1.00 0.28 O ATOM 317 CB ILE A 20 4.204 -12.253 4.679 1.00 0.37 C ATOM 318 CG1 ILE A 20 5.613 -12.722 5.060 1.00 0.43 C ATOM 319 CG2 ILE A 20 3.390 -13.405 4.103 1.00 0.41 C ATOM 320 CD1 ILE A 20 5.634 -13.824 6.101 1.00 0.86 C ATOM 0 H ILE A 20 2.181 -11.197 3.657 1.00 0.28 H new ATOM 0 HA ILE A 20 4.759 -10.238 4.184 1.00 0.30 H new ATOM 0 HB ILE A 20 3.705 -11.904 5.583 1.00 0.37 H new ATOM 0 HG12 ILE A 20 6.123 -13.073 4.163 1.00 0.43 H new ATOM 0 HG13 ILE A 20 6.180 -11.870 5.436 1.00 0.43 H new ATOM 0 HG21 ILE A 20 3.358 -14.223 4.822 1.00 0.41 H new ATOM 0 HG22 ILE A 20 2.376 -13.065 3.894 1.00 0.41 H new ATOM 0 HG23 ILE A 20 3.853 -13.752 3.179 1.00 0.41 H new ATOM 0 HD11 ILE A 20 6.666 -14.101 6.317 1.00 0.86 H new ATOM 0 HD12 ILE A 20 5.154 -13.471 7.014 1.00 0.86 H new ATOM 0 HD13 ILE A 20 5.097 -14.693 5.721 1.00 0.86 H new ATOM 332 N GLU A 21 4.406 -11.999 1.434 1.00 0.32 N ATOM 333 CA GLU A 21 5.063 -12.407 0.196 1.00 0.33 C ATOM 334 C GLU A 21 5.495 -11.180 -0.598 1.00 0.29 C ATOM 335 O GLU A 21 6.462 -11.225 -1.360 1.00 0.29 O ATOM 336 CB GLU A 21 4.119 -13.260 -0.652 1.00 0.39 C ATOM 337 CG GLU A 21 2.890 -12.504 -1.132 1.00 0.50 C ATOM 338 CD GLU A 21 2.054 -13.300 -2.108 1.00 0.99 C ATOM 339 OE1 GLU A 21 1.717 -14.458 -1.802 1.00 1.73 O ATOM 340 OE2 GLU A 21 1.729 -12.761 -3.189 1.00 1.49 O ATOM 0 H GLU A 21 3.399 -12.159 1.447 1.00 0.32 H new ATOM 0 HA GLU A 21 5.943 -12.998 0.451 1.00 0.33 H new ATOM 0 HB2 GLU A 21 4.663 -13.641 -1.516 1.00 0.39 H new ATOM 0 HB3 GLU A 21 3.800 -14.125 -0.070 1.00 0.39 H new ATOM 0 HG2 GLU A 21 2.277 -12.234 -0.272 1.00 0.50 H new ATOM 0 HG3 GLU A 21 3.204 -11.573 -1.605 1.00 0.50 H new ATOM 347 N LEU A 22 4.818 -10.065 -0.361 1.00 0.26 N ATOM 348 CA LEU A 22 5.063 -8.865 -1.135 1.00 0.24 C ATOM 349 C LEU A 22 6.252 -8.130 -0.563 1.00 0.21 C ATOM 350 O LEU A 22 7.194 -7.791 -1.279 1.00 0.22 O ATOM 351 CB LEU A 22 3.836 -7.964 -1.147 1.00 0.24 C ATOM 352 CG LEU A 22 2.720 -8.405 -2.084 1.00 0.31 C ATOM 353 CD1 LEU A 22 1.798 -7.244 -2.396 1.00 0.31 C ATOM 354 CD2 LEU A 22 3.296 -9.006 -3.355 1.00 0.44 C ATOM 0 H LEU A 22 4.100 -9.970 0.357 1.00 0.26 H new ATOM 0 HA LEU A 22 5.277 -9.150 -2.165 1.00 0.24 H new ATOM 0 HB2 LEU A 22 3.437 -7.906 -0.134 1.00 0.24 H new ATOM 0 HB3 LEU A 22 4.147 -6.957 -1.426 1.00 0.24 H new ATOM 0 HG LEU A 22 2.132 -9.176 -1.586 1.00 0.31 H new ATOM 0 HD11 LEU A 22 1.007 -7.578 -3.067 1.00 0.31 H new ATOM 0 HD12 LEU A 22 1.357 -6.871 -1.472 1.00 0.31 H new ATOM 0 HD13 LEU A 22 2.366 -6.446 -2.874 1.00 0.31 H new ATOM 0 HD21 LEU A 22 2.483 -9.315 -4.012 1.00 0.44 H new ATOM 0 HD22 LEU A 22 3.910 -8.263 -3.863 1.00 0.44 H new ATOM 0 HD23 LEU A 22 3.908 -9.872 -3.103 1.00 0.44 H new ATOM 366 N ARG A 23 6.241 -7.944 0.747 1.00 0.20 N ATOM 367 CA ARG A 23 7.348 -7.287 1.409 1.00 0.19 C ATOM 368 C ARG A 23 8.591 -8.159 1.250 1.00 0.19 C ATOM 369 O ARG A 23 9.704 -7.659 1.142 1.00 0.20 O ATOM 370 CB ARG A 23 7.045 -7.071 2.892 1.00 0.22 C ATOM 371 CG ARG A 23 6.841 -8.364 3.654 1.00 0.32 C ATOM 372 CD ARG A 23 7.133 -8.169 5.121 1.00 0.63 C ATOM 373 NE ARG A 23 7.370 -9.431 5.817 1.00 0.95 N ATOM 374 CZ ARG A 23 8.583 -9.960 5.998 1.00 1.24 C ATOM 375 NH1 ARG A 23 9.663 -9.343 5.522 1.00 1.52 N ATOM 376 NH2 ARG A 23 8.714 -11.105 6.656 1.00 1.92 N ATOM 0 H ARG A 23 5.484 -8.237 1.365 1.00 0.20 H new ATOM 0 HA ARG A 23 7.513 -6.309 0.957 1.00 0.19 H new ATOM 0 HB2 ARG A 23 7.865 -6.515 3.346 1.00 0.22 H new ATOM 0 HB3 ARG A 23 6.150 -6.456 2.988 1.00 0.22 H new ATOM 0 HG2 ARG A 23 5.816 -8.710 3.525 1.00 0.32 H new ATOM 0 HG3 ARG A 23 7.492 -9.138 3.248 1.00 0.32 H new ATOM 0 HD2 ARG A 23 8.007 -7.527 5.232 1.00 0.63 H new ATOM 0 HD3 ARG A 23 6.296 -7.651 5.589 1.00 0.63 H new ATOM 0 HE ARG A 23 6.564 -9.937 6.185 1.00 0.95 H new ATOM 0 HH11 ARG A 23 9.566 -8.462 5.017 1.00 1.52 H new ATOM 0 HH12 ARG A 23 10.587 -9.751 5.663 1.00 1.52 H new ATOM 0 HH21 ARG A 23 7.889 -11.580 7.023 1.00 1.92 H new ATOM 0 HH22 ARG A 23 9.640 -11.510 6.795 1.00 1.92 H new ATOM 390 N ARG A 24 8.363 -9.474 1.235 1.00 0.21 N ATOM 391 CA ARG A 24 9.391 -10.467 0.934 1.00 0.23 C ATOM 392 C ARG A 24 9.977 -10.233 -0.447 1.00 0.23 C ATOM 393 O ARG A 24 11.192 -10.295 -0.643 1.00 0.23 O ATOM 394 CB ARG A 24 8.760 -11.848 0.981 1.00 0.29 C ATOM 395 CG ARG A 24 9.627 -12.964 0.438 1.00 0.38 C ATOM 396 CD ARG A 24 8.774 -14.040 -0.215 1.00 0.90 C ATOM 397 NE ARG A 24 9.572 -15.198 -0.603 1.00 1.56 N ATOM 398 CZ ARG A 24 9.312 -15.967 -1.659 1.00 2.17 C ATOM 399 NH1 ARG A 24 8.266 -15.704 -2.436 1.00 2.19 N ATOM 400 NH2 ARG A 24 10.099 -16.997 -1.938 1.00 2.94 N ATOM 0 H ARG A 24 7.449 -9.881 1.434 1.00 0.21 H new ATOM 0 HA ARG A 24 10.192 -10.385 1.669 1.00 0.23 H new ATOM 0 HB2 ARG A 24 8.502 -12.078 2.015 1.00 0.29 H new ATOM 0 HB3 ARG A 24 7.828 -11.825 0.417 1.00 0.29 H new ATOM 0 HG2 ARG A 24 10.333 -12.562 -0.289 1.00 0.38 H new ATOM 0 HG3 ARG A 24 10.215 -13.400 1.246 1.00 0.38 H new ATOM 0 HD2 ARG A 24 7.991 -14.352 0.475 1.00 0.90 H new ATOM 0 HD3 ARG A 24 8.278 -13.628 -1.094 1.00 0.90 H new ATOM 0 HE ARG A 24 10.381 -15.434 -0.029 1.00 1.56 H new ATOM 0 HH11 ARG A 24 7.660 -14.911 -2.224 1.00 2.19 H new ATOM 0 HH12 ARG A 24 8.070 -16.295 -3.244 1.00 2.19 H new ATOM 0 HH21 ARG A 24 10.903 -17.200 -1.344 1.00 2.94 H new ATOM 0 HH22 ARG A 24 9.900 -17.586 -2.747 1.00 2.94 H new ATOM 414 N THR A 25 9.098 -9.960 -1.399 1.00 0.24 N ATOM 415 CA THR A 25 9.511 -9.687 -2.777 1.00 0.26 C ATOM 416 C THR A 25 10.411 -8.457 -2.826 1.00 0.23 C ATOM 417 O THR A 25 11.337 -8.370 -3.633 1.00 0.24 O ATOM 418 CB THR A 25 8.287 -9.450 -3.689 1.00 0.29 C ATOM 419 OG1 THR A 25 7.445 -10.610 -3.696 1.00 0.34 O ATOM 420 CG2 THR A 25 8.715 -9.128 -5.112 1.00 0.33 C ATOM 0 H THR A 25 8.090 -9.920 -1.247 1.00 0.24 H new ATOM 0 HA THR A 25 10.057 -10.559 -3.136 1.00 0.26 H new ATOM 0 HB THR A 25 7.735 -8.598 -3.292 1.00 0.29 H new ATOM 0 HG1 THR A 25 6.965 -10.671 -2.844 1.00 0.34 H new ATOM 0 HG21 THR A 25 7.832 -8.966 -5.730 1.00 0.33 H new ATOM 0 HG22 THR A 25 9.328 -8.227 -5.112 1.00 0.33 H new ATOM 0 HG23 THR A 25 9.293 -9.960 -5.515 1.00 0.33 H new ATOM 428 N LEU A 26 10.145 -7.521 -1.929 1.00 0.20 N ATOM 429 CA LEU A 26 10.879 -6.267 -1.899 1.00 0.20 C ATOM 430 C LEU A 26 12.058 -6.376 -0.940 1.00 0.20 C ATOM 431 O LEU A 26 12.923 -5.503 -0.892 1.00 0.22 O ATOM 432 CB LEU A 26 9.960 -5.133 -1.447 1.00 0.20 C ATOM 433 CG LEU A 26 8.485 -5.292 -1.822 1.00 0.21 C ATOM 434 CD1 LEU A 26 7.666 -4.140 -1.272 1.00 0.22 C ATOM 435 CD2 LEU A 26 8.301 -5.424 -3.333 1.00 0.26 C ATOM 0 H LEU A 26 9.425 -7.607 -1.211 1.00 0.20 H new ATOM 0 HA LEU A 26 11.248 -6.054 -2.902 1.00 0.20 H new ATOM 0 HB2 LEU A 26 10.033 -5.039 -0.364 1.00 0.20 H new ATOM 0 HB3 LEU A 26 10.327 -4.199 -1.874 1.00 0.20 H new ATOM 0 HG LEU A 26 8.124 -6.215 -1.369 1.00 0.21 H new ATOM 0 HD11 LEU A 26 6.620 -4.272 -1.550 1.00 0.22 H new ATOM 0 HD12 LEU A 26 7.753 -4.118 -0.186 1.00 0.22 H new ATOM 0 HD13 LEU A 26 8.035 -3.201 -1.685 1.00 0.22 H new ATOM 0 HD21 LEU A 26 7.241 -5.535 -3.562 1.00 0.26 H new ATOM 0 HD22 LEU A 26 8.687 -4.532 -3.826 1.00 0.26 H new ATOM 0 HD23 LEU A 26 8.843 -6.299 -3.690 1.00 0.26 H new ATOM 447 N GLY A 27 12.082 -7.470 -0.187 1.00 0.20 N ATOM 448 CA GLY A 27 13.070 -7.649 0.857 1.00 0.23 C ATOM 449 C GLY A 27 12.971 -6.594 1.941 1.00 0.24 C ATOM 450 O GLY A 27 13.964 -6.265 2.589 1.00 0.28 O ATOM 0 H GLY A 27 11.425 -8.244 -0.284 1.00 0.20 H new ATOM 0 HA2 GLY A 27 12.947 -8.636 1.303 1.00 0.23 H new ATOM 0 HA3 GLY A 27 14.067 -7.620 0.417 1.00 0.23 H new ATOM 454 N ILE A 28 11.774 -6.062 2.139 1.00 0.24 N ATOM 455 CA ILE A 28 11.566 -5.010 3.121 1.00 0.25 C ATOM 456 C ILE A 28 10.826 -5.525 4.346 1.00 0.22 C ATOM 457 O ILE A 28 10.246 -6.617 4.330 1.00 0.22 O ATOM 458 CB ILE A 28 10.762 -3.829 2.547 1.00 0.31 C ATOM 459 CG1 ILE A 28 9.372 -4.299 2.116 1.00 0.32 C ATOM 460 CG2 ILE A 28 11.505 -3.189 1.382 1.00 0.37 C ATOM 461 CD1 ILE A 28 8.345 -3.194 2.125 1.00 0.43 C ATOM 0 H ILE A 28 10.933 -6.341 1.633 1.00 0.24 H new ATOM 0 HA ILE A 28 12.563 -4.670 3.401 1.00 0.25 H new ATOM 0 HB ILE A 28 10.645 -3.074 3.325 1.00 0.31 H new ATOM 0 HG12 ILE A 28 9.433 -4.722 1.113 1.00 0.32 H new ATOM 0 HG13 ILE A 28 9.043 -5.098 2.780 1.00 0.32 H new ATOM 0 HG21 ILE A 28 10.920 -2.357 0.991 1.00 0.37 H new ATOM 0 HG22 ILE A 28 12.473 -2.823 1.725 1.00 0.37 H new ATOM 0 HG23 ILE A 28 11.655 -3.929 0.596 1.00 0.37 H new ATOM 0 HD11 ILE A 28 7.380 -3.591 1.810 1.00 0.43 H new ATOM 0 HD12 ILE A 28 8.258 -2.786 3.132 1.00 0.43 H new ATOM 0 HD13 ILE A 28 8.654 -2.405 1.440 1.00 0.43 H new ATOM 473 N ALA A 29 10.832 -4.709 5.391 1.00 0.22 N ATOM 474 CA ALA A 29 10.136 -5.013 6.631 1.00 0.23 C ATOM 475 C ALA A 29 10.218 -3.839 7.576 1.00 0.23 C ATOM 476 O ALA A 29 11.167 -3.060 7.524 1.00 0.26 O ATOM 477 CB ALA A 29 10.715 -6.260 7.290 1.00 0.25 C ATOM 0 H ALA A 29 11.322 -3.814 5.401 1.00 0.22 H new ATOM 0 HA ALA A 29 9.090 -5.207 6.395 1.00 0.23 H new ATOM 0 HB1 ALA A 29 10.177 -6.466 8.215 1.00 0.25 H new ATOM 0 HB2 ALA A 29 10.613 -7.109 6.614 1.00 0.25 H new ATOM 0 HB3 ALA A 29 11.770 -6.098 7.512 1.00 0.25 H new ATOM 483 N GLU A 30 9.192 -3.729 8.412 1.00 0.25 N ATOM 484 CA GLU A 30 9.111 -2.771 9.505 1.00 0.28 C ATOM 485 C GLU A 30 9.753 -1.402 9.240 1.00 0.30 C ATOM 486 O GLU A 30 9.092 -0.486 8.763 1.00 0.32 O ATOM 487 CB GLU A 30 9.667 -3.401 10.784 1.00 0.32 C ATOM 488 CG GLU A 30 10.845 -4.342 10.569 1.00 0.35 C ATOM 489 CD GLU A 30 11.292 -5.009 11.850 1.00 0.49 C ATOM 490 OE1 GLU A 30 11.996 -4.359 12.651 1.00 1.22 O ATOM 491 OE2 GLU A 30 10.934 -6.183 12.069 1.00 1.10 O ATOM 0 H GLU A 30 8.367 -4.325 8.344 1.00 0.25 H new ATOM 0 HA GLU A 30 8.050 -2.545 9.616 1.00 0.28 H new ATOM 0 HB2 GLU A 30 9.975 -2.604 11.461 1.00 0.32 H new ATOM 0 HB3 GLU A 30 8.867 -3.950 11.280 1.00 0.32 H new ATOM 0 HG2 GLU A 30 10.568 -5.106 9.842 1.00 0.35 H new ATOM 0 HG3 GLU A 30 11.679 -3.784 10.143 1.00 0.35 H new ATOM 498 N LYS A 31 11.027 -1.261 9.559 1.00 0.32 N ATOM 499 CA LYS A 31 11.687 0.038 9.526 1.00 0.38 C ATOM 500 C LYS A 31 12.106 0.463 8.111 1.00 0.35 C ATOM 501 O LYS A 31 12.763 1.489 7.947 1.00 0.40 O ATOM 502 CB LYS A 31 12.899 0.029 10.444 1.00 0.47 C ATOM 503 CG LYS A 31 12.606 -0.469 11.849 1.00 0.57 C ATOM 504 CD LYS A 31 11.622 0.436 12.569 1.00 0.67 C ATOM 505 CE LYS A 31 10.231 -0.174 12.609 1.00 0.67 C ATOM 506 NZ LYS A 31 9.328 0.540 13.545 1.00 0.85 N ATOM 0 H LYS A 31 11.630 -2.032 9.846 1.00 0.32 H new ATOM 0 HA LYS A 31 10.959 0.770 9.874 1.00 0.38 H new ATOM 0 HB2 LYS A 31 13.673 -0.598 10.001 1.00 0.47 H new ATOM 0 HB3 LYS A 31 13.304 1.039 10.505 1.00 0.47 H new ATOM 0 HG2 LYS A 31 12.203 -1.480 11.800 1.00 0.57 H new ATOM 0 HG3 LYS A 31 13.534 -0.523 12.417 1.00 0.57 H new ATOM 0 HD2 LYS A 31 11.970 0.618 13.586 1.00 0.67 H new ATOM 0 HD3 LYS A 31 11.582 1.403 12.068 1.00 0.67 H new ATOM 0 HE2 LYS A 31 9.800 -0.156 11.608 1.00 0.67 H new ATOM 0 HE3 LYS A 31 10.304 -1.220 12.906 1.00 0.67 H new ATOM 0 HZ1 LYS A 31 8.392 0.087 13.537 1.00 0.85 H new ATOM 0 HZ2 LYS A 31 9.723 0.501 14.506 1.00 0.85 H new ATOM 0 HZ3 LYS A 31 9.235 1.532 13.248 1.00 0.85 H new ATOM 520 N ASP A 32 11.733 -0.310 7.093 1.00 0.27 N ATOM 521 CA ASP A 32 12.132 0.002 5.718 1.00 0.24 C ATOM 522 C ASP A 32 11.225 1.056 5.102 1.00 0.22 C ATOM 523 O ASP A 32 10.271 1.514 5.731 1.00 0.23 O ATOM 524 CB ASP A 32 12.137 -1.250 4.842 1.00 0.23 C ATOM 525 CG ASP A 32 13.508 -1.885 4.751 1.00 0.55 C ATOM 526 OD1 ASP A 32 14.314 -1.452 3.898 1.00 0.94 O ATOM 527 OD2 ASP A 32 13.790 -2.812 5.537 1.00 1.54 O ATOM 0 H ASP A 32 11.161 -1.149 7.190 1.00 0.27 H new ATOM 0 HA ASP A 32 13.146 0.399 5.765 1.00 0.24 H new ATOM 0 HB2 ASP A 32 11.430 -1.975 5.245 1.00 0.23 H new ATOM 0 HB3 ASP A 32 11.792 -0.991 3.841 1.00 0.23 H new ATOM 532 N ALA A 33 11.533 1.440 3.871 1.00 0.21 N ATOM 533 CA ALA A 33 10.781 2.476 3.183 1.00 0.20 C ATOM 534 C ALA A 33 10.216 1.989 1.852 1.00 0.20 C ATOM 535 O ALA A 33 10.782 1.107 1.201 1.00 0.21 O ATOM 536 CB ALA A 33 11.667 3.689 2.962 1.00 0.23 C ATOM 0 H ALA A 33 12.302 1.047 3.328 1.00 0.21 H new ATOM 0 HA ALA A 33 9.934 2.746 3.814 1.00 0.20 H new ATOM 0 HB1 ALA A 33 11.101 4.464 2.446 1.00 0.23 H new ATOM 0 HB2 ALA A 33 12.009 4.070 3.924 1.00 0.23 H new ATOM 0 HB3 ALA A 33 12.528 3.405 2.357 1.00 0.23 H new ATOM 542 N LEU A 34 9.098 2.583 1.461 1.00 0.20 N ATOM 543 CA LEU A 34 8.453 2.301 0.191 1.00 0.20 C ATOM 544 C LEU A 34 8.244 3.607 -0.539 1.00 0.20 C ATOM 545 O LEU A 34 8.190 4.670 0.080 1.00 0.22 O ATOM 546 CB LEU A 34 7.086 1.631 0.380 1.00 0.23 C ATOM 547 CG LEU A 34 7.097 0.183 0.873 1.00 0.46 C ATOM 548 CD1 LEU A 34 7.339 0.123 2.372 1.00 1.15 C ATOM 549 CD2 LEU A 34 5.787 -0.502 0.512 1.00 0.67 C ATOM 0 H LEU A 34 8.610 3.280 2.023 1.00 0.20 H new ATOM 0 HA LEU A 34 9.093 1.621 -0.372 1.00 0.20 H new ATOM 0 HB2 LEU A 34 6.509 2.227 1.087 1.00 0.23 H new ATOM 0 HB3 LEU A 34 6.556 1.663 -0.572 1.00 0.23 H new ATOM 0 HG LEU A 34 7.914 -0.344 0.381 1.00 0.46 H new ATOM 0 HD11 LEU A 34 7.342 -0.917 2.699 1.00 1.15 H new ATOM 0 HD12 LEU A 34 8.301 0.579 2.604 1.00 1.15 H new ATOM 0 HD13 LEU A 34 6.547 0.664 2.890 1.00 1.15 H new ATOM 0 HD21 LEU A 34 5.805 -1.532 0.867 1.00 0.67 H new ATOM 0 HD22 LEU A 34 4.958 0.029 0.980 1.00 0.67 H new ATOM 0 HD23 LEU A 34 5.658 -0.494 -0.570 1.00 0.67 H new ATOM 561 N GLU A 35 8.114 3.522 -1.836 1.00 0.19 N ATOM 562 CA GLU A 35 7.868 4.679 -2.654 1.00 0.21 C ATOM 563 C GLU A 35 6.456 4.602 -3.224 1.00 0.20 C ATOM 564 O GLU A 35 6.166 3.793 -4.109 1.00 0.21 O ATOM 565 CB GLU A 35 8.903 4.759 -3.766 1.00 0.25 C ATOM 566 CG GLU A 35 9.060 6.159 -4.308 1.00 0.59 C ATOM 567 CD GLU A 35 10.239 6.298 -5.246 1.00 0.56 C ATOM 568 OE1 GLU A 35 10.139 5.860 -6.412 1.00 1.19 O ATOM 569 OE2 GLU A 35 11.270 6.861 -4.825 1.00 1.28 O ATOM 0 H GLU A 35 8.176 2.647 -2.356 1.00 0.19 H new ATOM 0 HA GLU A 35 7.952 5.583 -2.050 1.00 0.21 H new ATOM 0 HB2 GLU A 35 9.864 4.408 -3.390 1.00 0.25 H new ATOM 0 HB3 GLU A 35 8.614 4.089 -4.576 1.00 0.25 H new ATOM 0 HG2 GLU A 35 8.149 6.444 -4.833 1.00 0.59 H new ATOM 0 HG3 GLU A 35 9.180 6.854 -3.477 1.00 0.59 H new ATOM 576 N ILE A 36 5.580 5.422 -2.670 1.00 0.21 N ATOM 577 CA ILE A 36 4.173 5.425 -3.035 1.00 0.23 C ATOM 578 C ILE A 36 3.895 6.393 -4.185 1.00 0.25 C ATOM 579 O ILE A 36 4.216 7.580 -4.120 1.00 0.27 O ATOM 580 CB ILE A 36 3.275 5.801 -1.820 1.00 0.26 C ATOM 581 CG1 ILE A 36 3.134 4.632 -0.838 1.00 0.25 C ATOM 582 CG2 ILE A 36 1.895 6.262 -2.273 1.00 0.29 C ATOM 583 CD1 ILE A 36 4.429 4.228 -0.176 1.00 0.25 C ATOM 0 H ILE A 36 5.824 6.106 -1.953 1.00 0.21 H new ATOM 0 HA ILE A 36 3.930 4.413 -3.359 1.00 0.23 H new ATOM 0 HB ILE A 36 3.770 6.625 -1.306 1.00 0.26 H new ATOM 0 HG12 ILE A 36 2.413 4.903 -0.067 1.00 0.25 H new ATOM 0 HG13 ILE A 36 2.725 3.772 -1.369 1.00 0.25 H new ATOM 0 HG21 ILE A 36 1.292 6.517 -1.401 1.00 0.29 H new ATOM 0 HG22 ILE A 36 1.996 7.138 -2.913 1.00 0.29 H new ATOM 0 HG23 ILE A 36 1.408 5.461 -2.829 1.00 0.29 H new ATOM 0 HD11 ILE A 36 4.246 3.396 0.503 1.00 0.25 H new ATOM 0 HD12 ILE A 36 5.147 3.924 -0.937 1.00 0.25 H new ATOM 0 HD13 ILE A 36 4.830 5.072 0.385 1.00 0.25 H new ATOM 595 N TYR A 37 3.293 5.859 -5.229 1.00 0.25 N ATOM 596 CA TYR A 37 2.793 6.640 -6.341 1.00 0.24 C ATOM 597 C TYR A 37 1.273 6.503 -6.350 1.00 0.19 C ATOM 598 O TYR A 37 0.719 5.719 -5.578 1.00 0.22 O ATOM 599 CB TYR A 37 3.335 6.146 -7.688 1.00 0.31 C ATOM 600 CG TYR A 37 4.755 5.618 -7.671 1.00 1.10 C ATOM 601 CD1 TYR A 37 5.840 6.464 -7.844 1.00 1.91 C ATOM 602 CD2 TYR A 37 5.004 4.261 -7.513 1.00 2.03 C ATOM 603 CE1 TYR A 37 7.132 5.974 -7.853 1.00 2.86 C ATOM 604 CE2 TYR A 37 6.290 3.764 -7.514 1.00 2.97 C ATOM 605 CZ TYR A 37 7.351 4.622 -7.689 1.00 3.23 C ATOM 606 OH TYR A 37 8.635 4.124 -7.704 1.00 4.30 O ATOM 0 H TYR A 37 3.136 4.856 -5.329 1.00 0.25 H new ATOM 0 HA TYR A 37 3.116 7.673 -6.215 1.00 0.24 H new ATOM 0 HB2 TYR A 37 2.678 5.358 -8.056 1.00 0.31 H new ATOM 0 HB3 TYR A 37 3.280 6.966 -8.404 1.00 0.31 H new ATOM 0 HD1 TYR A 37 5.673 7.523 -7.974 1.00 1.91 H new ATOM 0 HD2 TYR A 37 4.174 3.582 -7.387 1.00 2.03 H new ATOM 0 HE1 TYR A 37 7.966 6.646 -7.988 1.00 2.86 H new ATOM 0 HE2 TYR A 37 6.464 2.707 -7.378 1.00 2.97 H new ATOM 0 HH TYR A 37 9.183 4.613 -7.055 1.00 4.30 H new ATOM 616 N VAL A 38 0.596 7.236 -7.214 1.00 0.21 N ATOM 617 CA VAL A 38 -0.846 7.096 -7.332 1.00 0.19 C ATOM 618 C VAL A 38 -1.236 6.839 -8.786 1.00 0.20 C ATOM 619 O VAL A 38 -0.622 7.382 -9.707 1.00 0.25 O ATOM 620 CB VAL A 38 -1.582 8.341 -6.796 1.00 0.21 C ATOM 621 CG1 VAL A 38 -1.305 9.564 -7.657 1.00 0.26 C ATOM 622 CG2 VAL A 38 -3.072 8.060 -6.699 1.00 0.18 C ATOM 0 H VAL A 38 1.013 7.927 -7.838 1.00 0.21 H new ATOM 0 HA VAL A 38 -1.147 6.243 -6.724 1.00 0.19 H new ATOM 0 HB VAL A 38 -1.204 8.562 -5.798 1.00 0.21 H new ATOM 0 HG11 VAL A 38 -1.839 10.423 -7.251 1.00 0.26 H new ATOM 0 HG12 VAL A 38 -0.235 9.771 -7.662 1.00 0.26 H new ATOM 0 HG13 VAL A 38 -1.643 9.375 -8.676 1.00 0.26 H new ATOM 0 HG21 VAL A 38 -3.585 8.944 -6.320 1.00 0.18 H new ATOM 0 HG22 VAL A 38 -3.460 7.811 -7.687 1.00 0.18 H new ATOM 0 HG23 VAL A 38 -3.241 7.223 -6.021 1.00 0.18 H new ATOM 632 N ASP A 39 -2.229 5.986 -8.995 1.00 0.20 N ATOM 633 CA ASP A 39 -2.693 5.697 -10.341 1.00 0.24 C ATOM 634 C ASP A 39 -4.192 5.907 -10.441 1.00 0.26 C ATOM 635 O ASP A 39 -4.961 4.953 -10.416 1.00 0.30 O ATOM 636 CB ASP A 39 -2.318 4.269 -10.744 1.00 0.27 C ATOM 637 CG ASP A 39 -2.466 4.019 -12.232 1.00 0.40 C ATOM 638 OD1 ASP A 39 -1.792 4.712 -13.021 1.00 1.07 O ATOM 639 OD2 ASP A 39 -3.226 3.108 -12.618 1.00 1.15 O ATOM 0 H ASP A 39 -2.724 5.487 -8.256 1.00 0.20 H new ATOM 0 HA ASP A 39 -2.204 6.385 -11.031 1.00 0.24 H new ATOM 0 HB2 ASP A 39 -1.288 4.072 -10.448 1.00 0.27 H new ATOM 0 HB3 ASP A 39 -2.947 3.566 -10.198 1.00 0.27 H new ATOM 644 N ASP A 40 -4.570 7.182 -10.523 1.00 0.32 N ATOM 645 CA ASP A 40 -5.968 7.631 -10.641 1.00 0.39 C ATOM 646 C ASP A 40 -6.843 7.146 -9.482 1.00 0.34 C ATOM 647 O ASP A 40 -7.163 7.913 -8.573 1.00 0.41 O ATOM 648 CB ASP A 40 -6.585 7.196 -11.974 1.00 0.54 C ATOM 649 CG ASP A 40 -7.808 8.021 -12.329 1.00 0.97 C ATOM 650 OD1 ASP A 40 -7.641 9.122 -12.895 1.00 1.41 O ATOM 651 OD2 ASP A 40 -8.941 7.579 -12.044 1.00 1.83 O ATOM 0 H ASP A 40 -3.903 7.953 -10.509 1.00 0.32 H new ATOM 0 HA ASP A 40 -5.938 8.720 -10.601 1.00 0.39 H new ATOM 0 HB2 ASP A 40 -5.842 7.290 -12.766 1.00 0.54 H new ATOM 0 HB3 ASP A 40 -6.861 6.143 -11.919 1.00 0.54 H new ATOM 656 N GLU A 41 -7.227 5.880 -9.521 1.00 0.38 N ATOM 657 CA GLU A 41 -8.123 5.310 -8.524 1.00 0.49 C ATOM 658 C GLU A 41 -7.441 4.195 -7.737 1.00 0.42 C ATOM 659 O GLU A 41 -8.084 3.503 -6.940 1.00 0.64 O ATOM 660 CB GLU A 41 -9.407 4.801 -9.197 1.00 0.71 C ATOM 661 CG GLU A 41 -9.224 4.338 -10.641 1.00 1.19 C ATOM 662 CD GLU A 41 -8.345 3.113 -10.777 1.00 1.86 C ATOM 663 OE1 GLU A 41 -8.866 1.984 -10.676 1.00 2.28 O ATOM 664 OE2 GLU A 41 -7.129 3.272 -11.011 1.00 2.54 O ATOM 0 H GLU A 41 -6.929 5.221 -10.240 1.00 0.38 H new ATOM 0 HA GLU A 41 -8.388 6.094 -7.815 1.00 0.49 H new ATOM 0 HB2 GLU A 41 -9.806 3.973 -8.611 1.00 0.71 H new ATOM 0 HB3 GLU A 41 -10.153 5.595 -9.175 1.00 0.71 H new ATOM 0 HG2 GLU A 41 -10.202 4.123 -11.072 1.00 1.19 H new ATOM 0 HG3 GLU A 41 -8.791 5.152 -11.223 1.00 1.19 H new ATOM 671 N LYS A 42 -6.144 4.021 -7.962 1.00 0.26 N ATOM 672 CA LYS A 42 -5.367 3.018 -7.249 1.00 0.26 C ATOM 673 C LYS A 42 -4.133 3.627 -6.605 1.00 0.18 C ATOM 674 O LYS A 42 -3.695 4.719 -6.973 1.00 0.18 O ATOM 675 CB LYS A 42 -4.903 1.920 -8.191 1.00 0.39 C ATOM 676 CG LYS A 42 -6.019 1.176 -8.891 1.00 0.78 C ATOM 677 CD LYS A 42 -5.460 0.071 -9.763 1.00 0.87 C ATOM 678 CE LYS A 42 -4.496 0.617 -10.801 1.00 0.55 C ATOM 679 NZ LYS A 42 -5.158 1.578 -11.725 1.00 0.81 N ATOM 0 H LYS A 42 -5.607 4.566 -8.637 1.00 0.26 H new ATOM 0 HA LYS A 42 -6.021 2.606 -6.480 1.00 0.26 H new ATOM 0 HB2 LYS A 42 -4.248 2.358 -8.944 1.00 0.39 H new ATOM 0 HB3 LYS A 42 -4.305 1.204 -7.627 1.00 0.39 H new ATOM 0 HG2 LYS A 42 -6.701 0.754 -8.153 1.00 0.78 H new ATOM 0 HG3 LYS A 42 -6.599 1.869 -9.501 1.00 0.78 H new ATOM 0 HD2 LYS A 42 -4.948 -0.663 -9.140 1.00 0.87 H new ATOM 0 HD3 LYS A 42 -6.278 -0.449 -10.262 1.00 0.87 H new ATOM 0 HE2 LYS A 42 -3.664 1.111 -10.299 1.00 0.55 H new ATOM 0 HE3 LYS A 42 -4.076 -0.209 -11.376 1.00 0.55 H new ATOM 0 HZ1 LYS A 42 -4.454 1.965 -12.386 1.00 0.81 H new ATOM 0 HZ2 LYS A 42 -5.903 1.088 -12.261 1.00 0.81 H new ATOM 0 HZ3 LYS A 42 -5.580 2.353 -11.175 1.00 0.81 H new ATOM 693 N ILE A 43 -3.566 2.896 -5.662 1.00 0.16 N ATOM 694 CA ILE A 43 -2.304 3.257 -5.047 1.00 0.15 C ATOM 695 C ILE A 43 -1.213 2.329 -5.557 1.00 0.16 C ATOM 696 O ILE A 43 -1.434 1.125 -5.704 1.00 0.21 O ATOM 697 CB ILE A 43 -2.379 3.159 -3.513 1.00 0.21 C ATOM 698 CG1 ILE A 43 -3.577 3.960 -2.995 1.00 0.27 C ATOM 699 CG2 ILE A 43 -1.082 3.666 -2.899 1.00 0.26 C ATOM 700 CD1 ILE A 43 -3.845 3.773 -1.518 1.00 0.34 C ATOM 0 H ILE A 43 -3.971 2.032 -5.301 1.00 0.16 H new ATOM 0 HA ILE A 43 -2.078 4.290 -5.312 1.00 0.15 H new ATOM 0 HB ILE A 43 -2.513 2.117 -3.224 1.00 0.21 H new ATOM 0 HG12 ILE A 43 -3.407 5.018 -3.193 1.00 0.27 H new ATOM 0 HG13 ILE A 43 -4.466 3.670 -3.555 1.00 0.27 H new ATOM 0 HG21 ILE A 43 -1.141 3.594 -1.813 1.00 0.26 H new ATOM 0 HG22 ILE A 43 -0.249 3.062 -3.258 1.00 0.26 H new ATOM 0 HG23 ILE A 43 -0.926 4.706 -3.186 1.00 0.26 H new ATOM 0 HD11 ILE A 43 -4.708 4.372 -1.226 1.00 0.34 H new ATOM 0 HD12 ILE A 43 -4.048 2.721 -1.315 1.00 0.34 H new ATOM 0 HD13 ILE A 43 -2.973 4.091 -0.947 1.00 0.34 H new ATOM 712 N ILE A 44 -0.052 2.889 -5.838 1.00 0.14 N ATOM 713 CA ILE A 44 1.047 2.127 -6.413 1.00 0.16 C ATOM 714 C ILE A 44 2.287 2.292 -5.556 1.00 0.17 C ATOM 715 O ILE A 44 2.907 3.335 -5.588 1.00 0.20 O ATOM 716 CB ILE A 44 1.387 2.621 -7.837 1.00 0.16 C ATOM 717 CG1 ILE A 44 0.120 2.847 -8.670 1.00 0.17 C ATOM 718 CG2 ILE A 44 2.301 1.628 -8.526 1.00 0.19 C ATOM 719 CD1 ILE A 44 -0.702 1.599 -8.907 1.00 0.18 C ATOM 0 H ILE A 44 0.158 3.874 -5.677 1.00 0.14 H new ATOM 0 HA ILE A 44 0.737 1.083 -6.455 1.00 0.16 H new ATOM 0 HB ILE A 44 1.900 3.579 -7.749 1.00 0.16 H new ATOM 0 HG12 ILE A 44 -0.503 3.588 -8.169 1.00 0.17 H new ATOM 0 HG13 ILE A 44 0.404 3.269 -9.634 1.00 0.17 H new ATOM 0 HG21 ILE A 44 2.535 1.984 -9.529 1.00 0.19 H new ATOM 0 HG22 ILE A 44 3.223 1.524 -7.953 1.00 0.19 H new ATOM 0 HG23 ILE A 44 1.803 0.660 -8.592 1.00 0.19 H new ATOM 0 HD11 ILE A 44 -1.579 1.849 -9.504 1.00 0.18 H new ATOM 0 HD12 ILE A 44 -0.100 0.862 -9.438 1.00 0.18 H new ATOM 0 HD13 ILE A 44 -1.020 1.186 -7.950 1.00 0.18 H new ATOM 731 N LEU A 45 2.671 1.287 -4.796 1.00 0.18 N ATOM 732 CA LEU A 45 3.852 1.439 -3.956 1.00 0.18 C ATOM 733 C LEU A 45 4.888 0.372 -4.256 1.00 0.20 C ATOM 734 O LEU A 45 4.593 -0.821 -4.298 1.00 0.33 O ATOM 735 CB LEU A 45 3.513 1.493 -2.456 1.00 0.36 C ATOM 736 CG LEU A 45 2.309 0.678 -1.992 1.00 0.32 C ATOM 737 CD1 LEU A 45 2.696 -0.769 -1.759 1.00 1.30 C ATOM 738 CD2 LEU A 45 1.719 1.286 -0.729 1.00 1.10 C ATOM 0 H LEU A 45 2.204 0.382 -4.738 1.00 0.18 H new ATOM 0 HA LEU A 45 4.288 2.406 -4.207 1.00 0.18 H new ATOM 0 HB2 LEU A 45 4.387 1.156 -1.898 1.00 0.36 H new ATOM 0 HB3 LEU A 45 3.343 2.535 -2.184 1.00 0.36 H new ATOM 0 HG LEU A 45 1.552 0.702 -2.776 1.00 0.32 H new ATOM 0 HD11 LEU A 45 1.822 -1.331 -1.429 1.00 1.30 H new ATOM 0 HD12 LEU A 45 3.074 -1.198 -2.687 1.00 1.30 H new ATOM 0 HD13 LEU A 45 3.470 -0.820 -0.994 1.00 1.30 H new ATOM 0 HD21 LEU A 45 0.861 0.696 -0.408 1.00 1.10 H new ATOM 0 HD22 LEU A 45 2.472 1.290 0.059 1.00 1.10 H new ATOM 0 HD23 LEU A 45 1.401 2.309 -0.932 1.00 1.10 H new ATOM 750 N LYS A 46 6.100 0.826 -4.500 1.00 0.19 N ATOM 751 CA LYS A 46 7.223 -0.053 -4.757 1.00 0.29 C ATOM 752 C LYS A 46 8.296 0.234 -3.731 1.00 0.32 C ATOM 753 O LYS A 46 8.427 1.368 -3.303 1.00 0.54 O ATOM 754 CB LYS A 46 7.755 0.181 -6.172 1.00 0.38 C ATOM 755 CG LYS A 46 8.852 -0.780 -6.592 1.00 0.85 C ATOM 756 CD LYS A 46 9.267 -0.529 -8.025 1.00 1.00 C ATOM 757 CE LYS A 46 10.060 0.758 -8.142 1.00 1.15 C ATOM 758 NZ LYS A 46 10.339 1.113 -9.556 1.00 1.41 N ATOM 0 H LYS A 46 6.335 1.818 -4.526 1.00 0.19 H new ATOM 0 HA LYS A 46 6.913 -1.095 -4.681 1.00 0.29 H new ATOM 0 HB2 LYS A 46 6.928 0.100 -6.877 1.00 0.38 H new ATOM 0 HB3 LYS A 46 8.135 1.200 -6.241 1.00 0.38 H new ATOM 0 HG2 LYS A 46 9.713 -0.666 -5.934 1.00 0.85 H new ATOM 0 HG3 LYS A 46 8.503 -1.807 -6.484 1.00 0.85 H new ATOM 0 HD2 LYS A 46 9.867 -1.364 -8.386 1.00 1.00 H new ATOM 0 HD3 LYS A 46 8.382 -0.475 -8.660 1.00 1.00 H new ATOM 0 HE2 LYS A 46 9.507 1.569 -7.667 1.00 1.15 H new ATOM 0 HE3 LYS A 46 11.001 0.654 -7.602 1.00 1.15 H new ATOM 0 HZ1 LYS A 46 10.883 1.999 -9.591 1.00 1.41 H new ATOM 0 HZ2 LYS A 46 10.889 0.352 -10.003 1.00 1.41 H new ATOM 0 HZ3 LYS A 46 9.441 1.238 -10.066 1.00 1.41 H new ATOM 772 N LYS A 47 9.033 -0.785 -3.317 1.00 0.27 N ATOM 773 CA LYS A 47 10.102 -0.605 -2.334 1.00 0.28 C ATOM 774 C LYS A 47 10.997 0.567 -2.715 1.00 0.29 C ATOM 775 O LYS A 47 11.261 0.795 -3.902 1.00 0.34 O ATOM 776 CB LYS A 47 10.958 -1.870 -2.227 1.00 0.39 C ATOM 777 CG LYS A 47 11.652 -2.246 -3.533 1.00 1.26 C ATOM 778 CD LYS A 47 12.652 -3.373 -3.333 1.00 1.27 C ATOM 779 CE LYS A 47 13.425 -3.670 -4.609 1.00 2.37 C ATOM 780 NZ LYS A 47 14.490 -4.683 -4.391 1.00 2.68 N ATOM 0 H LYS A 47 8.915 -1.744 -3.642 1.00 0.27 H new ATOM 0 HA LYS A 47 9.632 -0.402 -1.372 1.00 0.28 H new ATOM 0 HB2 LYS A 47 11.711 -1.725 -1.453 1.00 0.39 H new ATOM 0 HB3 LYS A 47 10.328 -2.700 -1.907 1.00 0.39 H new ATOM 0 HG2 LYS A 47 10.906 -2.548 -4.268 1.00 1.26 H new ATOM 0 HG3 LYS A 47 12.164 -1.373 -3.938 1.00 1.26 H new ATOM 0 HD2 LYS A 47 13.349 -3.105 -2.539 1.00 1.27 H new ATOM 0 HD3 LYS A 47 12.128 -4.271 -3.007 1.00 1.27 H new ATOM 0 HE2 LYS A 47 12.737 -4.027 -5.375 1.00 2.37 H new ATOM 0 HE3 LYS A 47 13.872 -2.750 -4.985 1.00 2.37 H new ATOM 0 HZ1 LYS A 47 14.992 -4.856 -5.285 1.00 2.68 H new ATOM 0 HZ2 LYS A 47 15.162 -4.333 -3.679 1.00 2.68 H new ATOM 0 HZ3 LYS A 47 14.062 -5.570 -4.057 1.00 2.68 H new ATOM 794 N TYR A 48 11.456 1.311 -1.716 1.00 0.32 N ATOM 795 CA TYR A 48 12.358 2.417 -1.963 1.00 0.41 C ATOM 796 C TYR A 48 13.621 1.884 -2.618 1.00 0.53 C ATOM 797 O TYR A 48 14.111 0.811 -2.253 1.00 0.60 O ATOM 798 CB TYR A 48 12.692 3.144 -0.657 1.00 0.48 C ATOM 799 CG TYR A 48 13.491 4.417 -0.853 1.00 1.10 C ATOM 800 CD1 TYR A 48 12.943 5.504 -1.525 1.00 2.02 C ATOM 801 CD2 TYR A 48 14.789 4.530 -0.369 1.00 1.68 C ATOM 802 CE1 TYR A 48 13.667 6.667 -1.710 1.00 2.71 C ATOM 803 CE2 TYR A 48 15.518 5.691 -0.549 1.00 2.40 C ATOM 804 CZ TYR A 48 14.952 6.756 -1.220 1.00 2.72 C ATOM 805 OH TYR A 48 15.674 7.912 -1.402 1.00 3.55 O ATOM 0 H TYR A 48 11.217 1.166 -0.735 1.00 0.32 H new ATOM 0 HA TYR A 48 11.879 3.136 -2.628 1.00 0.41 H new ATOM 0 HB2 TYR A 48 11.764 3.385 -0.138 1.00 0.48 H new ATOM 0 HB3 TYR A 48 13.253 2.470 -0.010 1.00 0.48 H new ATOM 0 HD1 TYR A 48 11.936 5.439 -1.909 1.00 2.02 H new ATOM 0 HD2 TYR A 48 15.235 3.698 0.156 1.00 1.68 H new ATOM 0 HE1 TYR A 48 13.228 7.502 -2.236 1.00 2.71 H new ATOM 0 HE2 TYR A 48 16.525 5.764 -0.166 1.00 2.40 H new ATOM 0 HH TYR A 48 16.560 7.812 -0.996 1.00 3.55 H new ATOM 939 N SER B 3 1.413 12.403 -3.276 1.00 0.46 N ATOM 940 CA SER B 3 1.713 11.100 -3.836 1.00 0.38 C ATOM 941 C SER B 3 2.605 11.196 -5.066 1.00 0.36 C ATOM 942 O SER B 3 3.201 12.235 -5.353 1.00 0.41 O ATOM 943 CB SER B 3 0.398 10.423 -4.203 1.00 0.41 C ATOM 944 OG SER B 3 -0.388 10.224 -3.047 1.00 0.44 O ATOM 0 HA SER B 3 2.257 10.518 -3.092 1.00 0.38 H new ATOM 0 HB2 SER B 3 -0.147 11.036 -4.921 1.00 0.41 H new ATOM 0 HB3 SER B 3 0.596 9.466 -4.686 1.00 0.41 H new ATOM 0 HG SER B 3 -0.841 11.061 -2.811 1.00 0.44 H new ATOM 950 N THR B 4 2.676 10.090 -5.782 1.00 0.35 N ATOM 951 CA THR B 4 3.468 9.983 -6.986 1.00 0.35 C ATOM 952 C THR B 4 4.964 10.081 -6.678 1.00 0.34 C ATOM 953 O THR B 4 5.628 11.055 -7.030 1.00 0.40 O ATOM 954 CB THR B 4 3.078 11.036 -8.044 1.00 0.36 C ATOM 955 OG1 THR B 4 1.648 11.101 -8.169 1.00 0.35 O ATOM 956 CG2 THR B 4 3.686 10.680 -9.392 1.00 0.41 C ATOM 0 H THR B 4 2.179 9.233 -5.539 1.00 0.35 H new ATOM 0 HA THR B 4 3.256 8.999 -7.404 1.00 0.35 H new ATOM 0 HB THR B 4 3.459 12.006 -7.724 1.00 0.36 H new ATOM 0 HG1 THR B 4 1.409 11.773 -8.841 1.00 0.35 H new ATOM 0 HG21 THR B 4 3.403 11.432 -10.129 1.00 0.41 H new ATOM 0 HG22 THR B 4 4.772 10.649 -9.305 1.00 0.41 H new ATOM 0 HG23 THR B 4 3.320 9.704 -9.710 1.00 0.41 H new ATOM 964 N GLY B 5 5.468 9.085 -5.968 1.00 0.30 N ATOM 965 CA GLY B 5 6.886 8.999 -5.714 1.00 0.30 C ATOM 966 C GLY B 5 7.257 9.507 -4.339 1.00 0.29 C ATOM 967 O GLY B 5 8.326 10.087 -4.151 1.00 0.32 O ATOM 0 H GLY B 5 4.915 8.331 -5.561 1.00 0.30 H new ATOM 0 HA2 GLY B 5 7.208 7.963 -5.815 1.00 0.30 H new ATOM 0 HA3 GLY B 5 7.423 9.574 -6.468 1.00 0.30 H new ATOM 971 N ILE B 6 6.379 9.286 -3.375 1.00 0.28 N ATOM 972 CA ILE B 6 6.638 9.713 -2.014 1.00 0.29 C ATOM 973 C ILE B 6 7.068 8.525 -1.158 1.00 0.25 C ATOM 974 O ILE B 6 6.471 7.451 -1.220 1.00 0.24 O ATOM 975 CB ILE B 6 5.409 10.402 -1.378 1.00 0.35 C ATOM 976 CG1 ILE B 6 5.803 11.024 -0.041 1.00 0.42 C ATOM 977 CG2 ILE B 6 4.246 9.432 -1.204 1.00 0.32 C ATOM 978 CD1 ILE B 6 6.532 12.339 -0.183 1.00 0.52 C ATOM 0 H ILE B 6 5.484 8.815 -3.511 1.00 0.28 H new ATOM 0 HA ILE B 6 7.445 10.445 -2.053 1.00 0.29 H new ATOM 0 HB ILE B 6 5.071 11.188 -2.053 1.00 0.35 H new ATOM 0 HG12 ILE B 6 4.906 11.177 0.558 1.00 0.42 H new ATOM 0 HG13 ILE B 6 6.435 10.324 0.505 1.00 0.42 H new ATOM 0 HG21 ILE B 6 3.401 9.954 -0.754 1.00 0.32 H new ATOM 0 HG22 ILE B 6 3.953 9.038 -2.177 1.00 0.32 H new ATOM 0 HG23 ILE B 6 4.551 8.610 -0.556 1.00 0.32 H new ATOM 0 HD11 ILE B 6 6.782 12.725 0.805 1.00 0.52 H new ATOM 0 HD12 ILE B 6 7.447 12.188 -0.756 1.00 0.52 H new ATOM 0 HD13 ILE B 6 5.894 13.055 -0.701 1.00 0.52 H new ATOM 990 N VAL B 7 8.114 8.706 -0.375 1.00 0.25 N ATOM 991 CA VAL B 7 8.657 7.619 0.418 1.00 0.24 C ATOM 992 C VAL B 7 8.086 7.618 1.841 1.00 0.28 C ATOM 993 O VAL B 7 8.106 8.638 2.538 1.00 0.37 O ATOM 994 CB VAL B 7 10.201 7.682 0.459 1.00 0.25 C ATOM 995 CG1 VAL B 7 10.691 9.007 1.028 1.00 0.31 C ATOM 996 CG2 VAL B 7 10.753 6.514 1.250 1.00 0.30 C ATOM 0 H VAL B 7 8.605 9.594 -0.271 1.00 0.25 H new ATOM 0 HA VAL B 7 8.359 6.688 -0.064 1.00 0.24 H new ATOM 0 HB VAL B 7 10.569 7.613 -0.565 1.00 0.25 H new ATOM 0 HG11 VAL B 7 11.781 9.016 1.042 1.00 0.31 H new ATOM 0 HG12 VAL B 7 10.329 9.826 0.406 1.00 0.31 H new ATOM 0 HG13 VAL B 7 10.314 9.128 2.044 1.00 0.31 H new ATOM 0 HG21 VAL B 7 11.841 6.571 1.271 1.00 0.30 H new ATOM 0 HG22 VAL B 7 10.368 6.550 2.269 1.00 0.30 H new ATOM 0 HG23 VAL B 7 10.447 5.579 0.780 1.00 0.30 H new ATOM 1006 N ARG B 8 7.552 6.476 2.256 1.00 0.27 N ATOM 1007 CA ARG B 8 7.060 6.307 3.614 1.00 0.32 C ATOM 1008 C ARG B 8 7.671 5.070 4.252 1.00 0.27 C ATOM 1009 O ARG B 8 8.265 4.237 3.567 1.00 0.26 O ATOM 1010 CB ARG B 8 5.536 6.201 3.648 1.00 0.41 C ATOM 1011 CG ARG B 8 4.841 7.518 3.949 1.00 0.57 C ATOM 1012 CD ARG B 8 4.576 8.327 2.691 1.00 0.57 C ATOM 1013 NE ARG B 8 3.975 9.624 3.005 1.00 0.95 N ATOM 1014 CZ ARG B 8 2.746 9.789 3.496 1.00 0.89 C ATOM 1015 NH1 ARG B 8 1.944 8.745 3.693 1.00 1.74 N ATOM 1016 NH2 ARG B 8 2.320 11.008 3.792 1.00 1.09 N ATOM 0 H ARG B 8 7.449 5.650 1.666 1.00 0.27 H new ATOM 0 HA ARG B 8 7.356 7.190 4.180 1.00 0.32 H new ATOM 0 HB2 ARG B 8 5.185 5.826 2.687 1.00 0.41 H new ATOM 0 HB3 ARG B 8 5.248 5.467 4.401 1.00 0.41 H new ATOM 0 HG2 ARG B 8 3.897 7.321 4.458 1.00 0.57 H new ATOM 0 HG3 ARG B 8 5.456 8.103 4.633 1.00 0.57 H new ATOM 0 HD2 ARG B 8 5.511 8.479 2.151 1.00 0.57 H new ATOM 0 HD3 ARG B 8 3.913 7.768 2.030 1.00 0.57 H new ATOM 0 HE ARG B 8 4.535 10.460 2.837 1.00 0.95 H new ATOM 0 HH11 ARG B 8 2.267 7.804 3.468 1.00 1.74 H new ATOM 0 HH12 ARG B 8 1.006 8.886 4.069 1.00 1.74 H new ATOM 0 HH21 ARG B 8 2.931 11.812 3.644 1.00 1.09 H new ATOM 0 HH22 ARG B 8 1.381 11.143 4.168 1.00 1.09 H new ATOM 1030 N LYS B 9 7.513 4.959 5.561 1.00 0.30 N ATOM 1031 CA LYS B 9 8.043 3.832 6.311 1.00 0.27 C ATOM 1032 C LYS B 9 7.017 2.706 6.344 1.00 0.24 C ATOM 1033 O LYS B 9 5.832 2.939 6.080 1.00 0.26 O ATOM 1034 CB LYS B 9 8.380 4.272 7.741 1.00 0.30 C ATOM 1035 CG LYS B 9 9.396 3.382 8.441 1.00 1.23 C ATOM 1036 CD LYS B 9 10.794 3.993 8.415 1.00 0.97 C ATOM 1037 CE LYS B 9 11.282 4.254 6.996 1.00 0.69 C ATOM 1038 NZ LYS B 9 12.635 4.867 6.981 1.00 0.92 N ATOM 0 H LYS B 9 7.016 5.644 6.131 1.00 0.30 H new ATOM 0 HA LYS B 9 8.950 3.474 5.825 1.00 0.27 H new ATOM 0 HB2 LYS B 9 8.763 5.292 7.715 1.00 0.30 H new ATOM 0 HB3 LYS B 9 7.463 4.291 8.330 1.00 0.30 H new ATOM 0 HG2 LYS B 9 9.088 3.221 9.474 1.00 1.23 H new ATOM 0 HG3 LYS B 9 9.417 2.405 7.959 1.00 1.23 H new ATOM 0 HD2 LYS B 9 10.790 4.929 8.974 1.00 0.97 H new ATOM 0 HD3 LYS B 9 11.491 3.323 8.920 1.00 0.97 H new ATOM 0 HE2 LYS B 9 11.302 3.316 6.440 1.00 0.69 H new ATOM 0 HE3 LYS B 9 10.579 4.912 6.485 1.00 0.69 H new ATOM 0 HZ1 LYS B 9 12.932 5.029 5.998 1.00 0.92 H new ATOM 0 HZ2 LYS B 9 12.611 5.774 7.489 1.00 0.92 H new ATOM 0 HZ3 LYS B 9 13.311 4.228 7.446 1.00 0.92 H new ATOM 1052 N VAL B 10 7.460 1.491 6.655 1.00 0.22 N ATOM 1053 CA VAL B 10 6.542 0.378 6.798 1.00 0.22 C ATOM 1054 C VAL B 10 5.896 0.420 8.187 1.00 0.24 C ATOM 1055 O VAL B 10 5.121 1.330 8.489 1.00 0.39 O ATOM 1056 CB VAL B 10 7.227 -1.000 6.584 1.00 0.23 C ATOM 1057 CG1 VAL B 10 6.207 -2.057 6.196 1.00 0.27 C ATOM 1058 CG2 VAL B 10 8.339 -0.921 5.550 1.00 0.22 C ATOM 0 H VAL B 10 8.441 1.259 6.811 1.00 0.22 H new ATOM 0 HA VAL B 10 5.785 0.485 6.021 1.00 0.22 H new ATOM 0 HB VAL B 10 7.680 -1.289 7.532 1.00 0.23 H new ATOM 0 HG11 VAL B 10 6.711 -3.013 6.052 1.00 0.27 H new ATOM 0 HG12 VAL B 10 5.464 -2.154 6.988 1.00 0.27 H new ATOM 0 HG13 VAL B 10 5.713 -1.763 5.270 1.00 0.27 H new ATOM 0 HG21 VAL B 10 8.793 -1.904 5.429 1.00 0.22 H new ATOM 0 HG22 VAL B 10 7.926 -0.592 4.596 1.00 0.22 H new ATOM 0 HG23 VAL B 10 9.095 -0.210 5.883 1.00 0.22 H new ATOM 1068 N ASP B 11 6.276 -0.522 9.047 1.00 0.23 N ATOM 1069 CA ASP B 11 5.674 -0.669 10.371 1.00 0.31 C ATOM 1070 C ASP B 11 6.269 -1.880 11.065 1.00 0.27 C ATOM 1071 O ASP B 11 7.166 -1.757 11.894 1.00 0.21 O ATOM 1072 CB ASP B 11 4.150 -0.813 10.247 1.00 0.64 C ATOM 1073 CG ASP B 11 3.436 -1.064 11.562 1.00 0.98 C ATOM 1074 OD1 ASP B 11 3.591 -0.258 12.502 1.00 1.39 O ATOM 1075 OD2 ASP B 11 2.702 -2.067 11.648 1.00 1.66 O ATOM 0 H ASP B 11 7.008 -1.204 8.847 1.00 0.23 H new ATOM 0 HA ASP B 11 5.886 0.220 10.965 1.00 0.31 H new ATOM 0 HB2 ASP B 11 3.747 0.094 9.796 1.00 0.64 H new ATOM 0 HB3 ASP B 11 3.929 -1.634 9.565 1.00 0.64 H new ATOM 1080 N GLU B 12 5.782 -3.051 10.686 1.00 0.40 N ATOM 1081 CA GLU B 12 6.333 -4.313 11.149 1.00 0.54 C ATOM 1082 C GLU B 12 6.035 -5.409 10.145 1.00 0.46 C ATOM 1083 O GLU B 12 6.864 -5.731 9.293 1.00 0.52 O ATOM 1084 CB GLU B 12 5.786 -4.702 12.531 1.00 0.77 C ATOM 1085 CG GLU B 12 4.365 -4.239 12.797 1.00 0.87 C ATOM 1086 CD GLU B 12 3.869 -4.635 14.169 1.00 1.22 C ATOM 1087 OE1 GLU B 12 4.370 -4.081 15.172 1.00 1.57 O ATOM 1088 OE2 GLU B 12 2.971 -5.498 14.252 1.00 1.91 O ATOM 0 H GLU B 12 4.993 -3.152 10.048 1.00 0.40 H new ATOM 0 HA GLU B 12 7.412 -4.189 11.243 1.00 0.54 H new ATOM 0 HB2 GLU B 12 5.827 -5.787 12.632 1.00 0.77 H new ATOM 0 HB3 GLU B 12 6.440 -4.286 13.297 1.00 0.77 H new ATOM 0 HG2 GLU B 12 4.316 -3.155 12.696 1.00 0.87 H new ATOM 0 HG3 GLU B 12 3.703 -4.660 12.040 1.00 0.87 H new ATOM 1095 N LEU B 13 4.830 -5.943 10.232 1.00 0.39 N ATOM 1096 CA LEU B 13 4.401 -7.031 9.372 1.00 0.35 C ATOM 1097 C LEU B 13 4.315 -6.605 7.903 1.00 0.29 C ATOM 1098 O LEU B 13 4.524 -7.422 7.010 1.00 0.40 O ATOM 1099 CB LEU B 13 3.054 -7.599 9.848 1.00 0.40 C ATOM 1100 CG LEU B 13 1.810 -6.726 9.606 1.00 0.53 C ATOM 1101 CD1 LEU B 13 0.549 -7.526 9.878 1.00 0.64 C ATOM 1102 CD2 LEU B 13 1.826 -5.476 10.478 1.00 0.72 C ATOM 0 H LEU B 13 4.123 -5.635 10.899 1.00 0.39 H new ATOM 0 HA LEU B 13 5.157 -7.813 9.440 1.00 0.35 H new ATOM 0 HB2 LEU B 13 2.897 -8.559 9.356 1.00 0.40 H new ATOM 0 HB3 LEU B 13 3.127 -7.797 10.917 1.00 0.40 H new ATOM 0 HG LEU B 13 1.824 -6.411 8.563 1.00 0.53 H new ATOM 0 HD11 LEU B 13 -0.325 -6.898 9.704 1.00 0.64 H new ATOM 0 HD12 LEU B 13 0.515 -8.389 9.213 1.00 0.64 H new ATOM 0 HD13 LEU B 13 0.550 -7.866 10.913 1.00 0.64 H new ATOM 0 HD21 LEU B 13 0.933 -4.883 10.281 1.00 0.72 H new ATOM 0 HD22 LEU B 13 1.845 -5.766 11.529 1.00 0.72 H new ATOM 0 HD23 LEU B 13 2.712 -4.884 10.249 1.00 0.72 H new ATOM 1114 N GLY B 14 4.023 -5.334 7.648 1.00 0.25 N ATOM 1115 CA GLY B 14 3.914 -4.884 6.274 1.00 0.24 C ATOM 1116 C GLY B 14 3.047 -3.659 6.125 1.00 0.22 C ATOM 1117 O GLY B 14 2.997 -3.066 5.057 1.00 0.31 O ATOM 0 H GLY B 14 3.862 -4.618 8.356 1.00 0.25 H new ATOM 0 HA2 GLY B 14 4.910 -4.667 5.888 1.00 0.24 H new ATOM 0 HA3 GLY B 14 3.504 -5.689 5.665 1.00 0.24 H new ATOM 1121 N ARG B 15 2.356 -3.288 7.193 1.00 0.17 N ATOM 1122 CA ARG B 15 1.500 -2.109 7.176 1.00 0.17 C ATOM 1123 C ARG B 15 2.260 -0.856 6.743 1.00 0.17 C ATOM 1124 O ARG B 15 3.048 -0.310 7.502 1.00 0.22 O ATOM 1125 CB ARG B 15 0.881 -1.896 8.553 1.00 0.20 C ATOM 1126 CG ARG B 15 -0.605 -2.147 8.583 1.00 0.23 C ATOM 1127 CD ARG B 15 -1.140 -2.086 9.998 1.00 0.25 C ATOM 1128 NE ARG B 15 -2.552 -2.448 10.065 1.00 0.42 N ATOM 1129 CZ ARG B 15 -3.124 -3.017 11.126 1.00 0.58 C ATOM 1130 NH1 ARG B 15 -2.412 -3.248 12.224 1.00 0.72 N ATOM 1131 NH2 ARG B 15 -4.413 -3.324 11.092 1.00 0.75 N ATOM 0 H ARG B 15 2.371 -3.786 8.083 1.00 0.17 H new ATOM 0 HA ARG B 15 0.712 -2.284 6.443 1.00 0.17 H new ATOM 0 HB2 ARG B 15 1.369 -2.557 9.269 1.00 0.20 H new ATOM 0 HB3 ARG B 15 1.077 -0.874 8.878 1.00 0.20 H new ATOM 0 HG2 ARG B 15 -1.114 -1.407 7.966 1.00 0.23 H new ATOM 0 HG3 ARG B 15 -0.821 -3.124 8.151 1.00 0.23 H new ATOM 0 HD2 ARG B 15 -0.563 -2.758 10.633 1.00 0.25 H new ATOM 0 HD3 ARG B 15 -1.005 -1.079 10.394 1.00 0.25 H new ATOM 0 HE ARG B 15 -3.136 -2.254 9.252 1.00 0.42 H new ATOM 0 HH11 ARG B 15 -1.426 -2.990 12.256 1.00 0.72 H new ATOM 0 HH12 ARG B 15 -2.852 -3.684 13.035 1.00 0.72 H new ATOM 0 HH21 ARG B 15 -4.963 -3.125 10.256 1.00 0.75 H new ATOM 0 HH22 ARG B 15 -4.855 -3.760 11.901 1.00 0.75 H new ATOM 1145 N VAL B 16 2.022 -0.418 5.516 1.00 0.14 N ATOM 1146 CA VAL B 16 2.671 0.776 4.987 1.00 0.14 C ATOM 1147 C VAL B 16 1.734 1.977 5.099 1.00 0.16 C ATOM 1148 O VAL B 16 0.522 1.849 4.907 1.00 0.16 O ATOM 1149 CB VAL B 16 3.114 0.571 3.518 1.00 0.15 C ATOM 1150 CG1 VAL B 16 1.917 0.319 2.613 1.00 1.04 C ATOM 1151 CG2 VAL B 16 3.928 1.761 3.038 1.00 0.96 C ATOM 0 H VAL B 16 1.382 -0.872 4.864 1.00 0.14 H new ATOM 0 HA VAL B 16 3.565 0.967 5.581 1.00 0.14 H new ATOM 0 HB VAL B 16 3.748 -0.314 3.473 1.00 0.15 H new ATOM 0 HG11 VAL B 16 2.259 0.179 1.588 1.00 1.04 H new ATOM 0 HG12 VAL B 16 1.391 -0.576 2.946 1.00 1.04 H new ATOM 0 HG13 VAL B 16 1.242 1.174 2.656 1.00 1.04 H new ATOM 0 HG21 VAL B 16 4.232 1.601 2.003 1.00 0.96 H new ATOM 0 HG22 VAL B 16 3.323 2.665 3.103 1.00 0.96 H new ATOM 0 HG23 VAL B 16 4.814 1.872 3.663 1.00 0.96 H new ATOM 1161 N VAL B 17 2.294 3.135 5.431 1.00 0.17 N ATOM 1162 CA VAL B 17 1.495 4.326 5.691 1.00 0.17 C ATOM 1163 C VAL B 17 1.002 4.973 4.393 1.00 0.18 C ATOM 1164 O VAL B 17 1.754 5.670 3.705 1.00 0.25 O ATOM 1165 CB VAL B 17 2.295 5.371 6.497 1.00 0.20 C ATOM 1166 CG1 VAL B 17 1.424 6.566 6.856 1.00 0.23 C ATOM 1167 CG2 VAL B 17 2.896 4.750 7.748 1.00 0.22 C ATOM 0 H VAL B 17 3.300 3.274 5.526 1.00 0.17 H new ATOM 0 HA VAL B 17 0.634 3.999 6.273 1.00 0.17 H new ATOM 0 HB VAL B 17 3.112 5.724 5.867 1.00 0.20 H new ATOM 0 HG11 VAL B 17 2.012 7.287 7.424 1.00 0.23 H new ATOM 0 HG12 VAL B 17 1.056 7.035 5.944 1.00 0.23 H new ATOM 0 HG13 VAL B 17 0.579 6.232 7.458 1.00 0.23 H new ATOM 0 HG21 VAL B 17 3.455 5.507 8.298 1.00 0.22 H new ATOM 0 HG22 VAL B 17 2.098 4.358 8.379 1.00 0.22 H new ATOM 0 HG23 VAL B 17 3.567 3.939 7.465 1.00 0.22 H new ATOM 1177 N ILE B 18 -0.258 4.723 4.064 1.00 0.16 N ATOM 1178 CA ILE B 18 -0.909 5.361 2.930 1.00 0.21 C ATOM 1179 C ILE B 18 -1.083 6.857 3.179 1.00 0.17 C ATOM 1180 O ILE B 18 -1.450 7.267 4.284 1.00 0.18 O ATOM 1181 CB ILE B 18 -2.300 4.741 2.677 1.00 0.30 C ATOM 1182 CG1 ILE B 18 -2.186 3.239 2.420 1.00 0.34 C ATOM 1183 CG2 ILE B 18 -2.999 5.428 1.515 1.00 0.44 C ATOM 1184 CD1 ILE B 18 -1.545 2.884 1.095 1.00 0.55 C ATOM 0 H ILE B 18 -0.856 4.073 4.575 1.00 0.16 H new ATOM 0 HA ILE B 18 -0.274 5.204 2.058 1.00 0.21 H new ATOM 0 HB ILE B 18 -2.901 4.892 3.573 1.00 0.30 H new ATOM 0 HG12 ILE B 18 -1.606 2.787 3.224 1.00 0.34 H new ATOM 0 HG13 ILE B 18 -3.182 2.798 2.459 1.00 0.34 H new ATOM 0 HG21 ILE B 18 -3.977 4.972 1.358 1.00 0.44 H new ATOM 0 HG22 ILE B 18 -3.124 6.487 1.740 1.00 0.44 H new ATOM 0 HG23 ILE B 18 -2.398 5.318 0.612 1.00 0.44 H new ATOM 0 HD11 ILE B 18 -1.502 1.800 0.990 1.00 0.55 H new ATOM 0 HD12 ILE B 18 -2.136 3.304 0.281 1.00 0.55 H new ATOM 0 HD13 ILE B 18 -0.535 3.292 1.058 1.00 0.55 H new ATOM 1196 N PRO B 19 -0.778 7.691 2.173 1.00 0.20 N ATOM 1197 CA PRO B 19 -1.066 9.126 2.216 1.00 0.22 C ATOM 1198 C PRO B 19 -2.505 9.423 2.618 1.00 0.21 C ATOM 1199 O PRO B 19 -3.440 8.766 2.152 1.00 0.18 O ATOM 1200 CB PRO B 19 -0.837 9.569 0.782 1.00 0.26 C ATOM 1201 CG PRO B 19 0.205 8.637 0.278 1.00 0.28 C ATOM 1202 CD PRO B 19 -0.090 7.311 0.926 1.00 0.27 C ATOM 0 HA PRO B 19 -0.447 9.638 2.953 1.00 0.22 H new ATOM 0 HB2 PRO B 19 -1.751 9.501 0.193 1.00 0.26 H new ATOM 0 HB3 PRO B 19 -0.503 10.605 0.733 1.00 0.26 H new ATOM 0 HG2 PRO B 19 0.169 8.559 -0.809 1.00 0.28 H new ATOM 0 HG3 PRO B 19 1.204 8.987 0.539 1.00 0.28 H new ATOM 0 HD2 PRO B 19 -0.719 6.685 0.294 1.00 0.27 H new ATOM 0 HD3 PRO B 19 0.822 6.748 1.125 1.00 0.27 H new ATOM 1210 N ILE B 20 -2.675 10.419 3.473 1.00 0.25 N ATOM 1211 CA ILE B 20 -4.001 10.857 3.890 1.00 0.26 C ATOM 1212 C ILE B 20 -4.829 11.270 2.677 1.00 0.26 C ATOM 1213 O ILE B 20 -6.032 11.042 2.636 1.00 0.25 O ATOM 1214 CB ILE B 20 -3.925 12.026 4.902 1.00 0.30 C ATOM 1215 CG1 ILE B 20 -5.333 12.505 5.280 1.00 0.31 C ATOM 1216 CG2 ILE B 20 -3.093 13.176 4.340 1.00 0.34 C ATOM 1217 CD1 ILE B 20 -5.347 13.597 6.330 1.00 0.82 C ATOM 0 H ILE B 20 -1.908 10.943 3.895 1.00 0.25 H new ATOM 0 HA ILE B 20 -4.484 10.015 4.386 1.00 0.26 H new ATOM 0 HB ILE B 20 -3.434 11.665 5.805 1.00 0.30 H new ATOM 0 HG12 ILE B 20 -5.835 12.869 4.384 1.00 0.31 H new ATOM 0 HG13 ILE B 20 -5.910 11.655 5.645 1.00 0.31 H new ATOM 0 HG21 ILE B 20 -3.053 13.986 5.068 1.00 0.34 H new ATOM 0 HG22 ILE B 20 -2.082 12.826 4.131 1.00 0.34 H new ATOM 0 HG23 ILE B 20 -3.549 13.538 3.419 1.00 0.34 H new ATOM 0 HD11 ILE B 20 -6.377 13.883 6.544 1.00 0.82 H new ATOM 0 HD12 ILE B 20 -4.875 13.231 7.242 1.00 0.82 H new ATOM 0 HD13 ILE B 20 -4.799 14.464 5.961 1.00 0.82 H new ATOM 1229 N GLU B 21 -4.160 11.822 1.668 1.00 0.28 N ATOM 1230 CA GLU B 21 -4.821 12.267 0.446 1.00 0.30 C ATOM 1231 C GLU B 21 -5.307 11.069 -0.357 1.00 0.26 C ATOM 1232 O GLU B 21 -6.314 11.144 -1.061 1.00 0.26 O ATOM 1233 CB GLU B 21 -3.847 13.091 -0.400 1.00 0.37 C ATOM 1234 CG GLU B 21 -2.686 12.272 -0.949 1.00 0.42 C ATOM 1235 CD GLU B 21 -1.651 13.106 -1.670 1.00 0.64 C ATOM 1236 OE1 GLU B 21 -1.115 14.048 -1.059 1.00 1.35 O ATOM 1237 OE2 GLU B 21 -1.342 12.792 -2.841 1.00 1.18 O ATOM 0 H GLU B 21 -3.151 11.972 1.674 1.00 0.28 H new ATOM 0 HA GLU B 21 -5.678 12.884 0.716 1.00 0.30 H new ATOM 0 HB2 GLU B 21 -4.390 13.542 -1.231 1.00 0.37 H new ATOM 0 HB3 GLU B 21 -3.453 13.908 0.204 1.00 0.37 H new ATOM 0 HG2 GLU B 21 -2.206 11.740 -0.128 1.00 0.42 H new ATOM 0 HG3 GLU B 21 -3.075 11.518 -1.633 1.00 0.42 H new ATOM 1244 N LEU B 22 -4.623 9.943 -0.186 1.00 0.24 N ATOM 1245 CA LEU B 22 -4.911 8.761 -0.967 1.00 0.22 C ATOM 1246 C LEU B 22 -6.083 8.031 -0.360 1.00 0.20 C ATOM 1247 O LEU B 22 -7.053 7.705 -1.040 1.00 0.20 O ATOM 1248 CB LEU B 22 -3.698 7.838 -1.031 1.00 0.23 C ATOM 1249 CG LEU B 22 -2.600 8.264 -2.000 1.00 0.28 C ATOM 1250 CD1 LEU B 22 -1.698 7.089 -2.322 1.00 0.30 C ATOM 1251 CD2 LEU B 22 -3.199 8.860 -3.263 1.00 0.33 C ATOM 0 H LEU B 22 -3.866 9.831 0.489 1.00 0.24 H new ATOM 0 HA LEU B 22 -5.156 9.067 -1.984 1.00 0.22 H new ATOM 0 HB2 LEU B 22 -3.268 7.762 -0.032 1.00 0.23 H new ATOM 0 HB3 LEU B 22 -4.037 6.840 -1.309 1.00 0.23 H new ATOM 0 HG LEU B 22 -1.995 9.036 -1.524 1.00 0.28 H new ATOM 0 HD11 LEU B 22 -0.919 7.407 -3.015 1.00 0.30 H new ATOM 0 HD12 LEU B 22 -1.239 6.720 -1.405 1.00 0.30 H new ATOM 0 HD13 LEU B 22 -2.286 6.293 -2.779 1.00 0.30 H new ATOM 0 HD21 LEU B 22 -2.398 9.157 -3.940 1.00 0.33 H new ATOM 0 HD22 LEU B 22 -3.831 8.118 -3.751 1.00 0.33 H new ATOM 0 HD23 LEU B 22 -3.798 9.733 -3.005 1.00 0.33 H new ATOM 1263 N ARG B 23 -6.019 7.832 0.947 1.00 0.19 N ATOM 1264 CA ARG B 23 -7.079 7.143 1.642 1.00 0.18 C ATOM 1265 C ARG B 23 -8.320 8.030 1.619 1.00 0.18 C ATOM 1266 O ARG B 23 -9.445 7.546 1.681 1.00 0.19 O ATOM 1267 CB ARG B 23 -6.640 6.803 3.075 1.00 0.21 C ATOM 1268 CG ARG B 23 -6.461 8.012 3.977 1.00 0.27 C ATOM 1269 CD ARG B 23 -7.556 8.043 5.029 1.00 0.64 C ATOM 1270 NE ARG B 23 -7.427 9.158 5.958 1.00 0.66 N ATOM 1271 CZ ARG B 23 -8.470 9.791 6.491 1.00 0.88 C ATOM 1272 NH1 ARG B 23 -9.706 9.447 6.136 1.00 1.48 N ATOM 1273 NH2 ARG B 23 -8.280 10.759 7.379 1.00 1.34 N ATOM 0 H ARG B 23 -5.247 8.138 1.539 1.00 0.19 H new ATOM 0 HA ARG B 23 -7.312 6.198 1.151 1.00 0.18 H new ATOM 0 HB2 ARG B 23 -7.379 6.138 3.521 1.00 0.21 H new ATOM 0 HB3 ARG B 23 -5.700 6.253 3.034 1.00 0.21 H new ATOM 0 HG2 ARG B 23 -5.484 7.975 4.459 1.00 0.27 H new ATOM 0 HG3 ARG B 23 -6.490 8.926 3.384 1.00 0.27 H new ATOM 0 HD2 ARG B 23 -8.525 8.101 4.534 1.00 0.64 H new ATOM 0 HD3 ARG B 23 -7.540 7.108 5.589 1.00 0.64 H new ATOM 0 HE ARG B 23 -6.490 9.470 6.213 1.00 0.66 H new ATOM 0 HH11 ARG B 23 -9.852 8.700 5.457 1.00 1.48 H new ATOM 0 HH12 ARG B 23 -10.507 9.930 6.543 1.00 1.48 H new ATOM 0 HH21 ARG B 23 -7.333 11.020 7.655 1.00 1.34 H new ATOM 0 HH22 ARG B 23 -9.081 11.242 7.786 1.00 1.34 H new ATOM 1287 N ARG B 24 -8.091 9.340 1.506 1.00 0.20 N ATOM 1288 CA ARG B 24 -9.158 10.308 1.306 1.00 0.22 C ATOM 1289 C ARG B 24 -9.759 10.169 -0.089 1.00 0.22 C ATOM 1290 O ARG B 24 -10.969 10.297 -0.260 1.00 0.23 O ATOM 1291 CB ARG B 24 -8.619 11.720 1.542 1.00 0.30 C ATOM 1292 CG ARG B 24 -9.625 12.827 1.306 1.00 0.42 C ATOM 1293 CD ARG B 24 -9.546 13.375 -0.112 1.00 0.89 C ATOM 1294 NE ARG B 24 -10.591 14.359 -0.369 1.00 1.40 N ATOM 1295 CZ ARG B 24 -10.575 15.231 -1.374 1.00 1.96 C ATOM 1296 NH1 ARG B 24 -9.543 15.276 -2.208 1.00 2.14 N ATOM 1297 NH2 ARG B 24 -11.590 16.067 -1.540 1.00 2.77 N ATOM 0 H ARG B 24 -7.160 9.754 1.551 1.00 0.20 H new ATOM 0 HA ARG B 24 -9.956 10.116 2.024 1.00 0.22 H new ATOM 0 HB2 ARG B 24 -8.256 11.789 2.567 1.00 0.30 H new ATOM 0 HB3 ARG B 24 -7.761 11.881 0.889 1.00 0.30 H new ATOM 0 HG2 ARG B 24 -10.630 12.450 1.494 1.00 0.42 H new ATOM 0 HG3 ARG B 24 -9.450 13.634 2.017 1.00 0.42 H new ATOM 0 HD2 ARG B 24 -8.569 13.831 -0.272 1.00 0.89 H new ATOM 0 HD3 ARG B 24 -9.635 12.555 -0.825 1.00 0.89 H new ATOM 0 HE ARG B 24 -11.389 14.380 0.265 1.00 1.40 H new ATOM 0 HH11 ARG B 24 -8.756 14.640 -2.080 1.00 2.14 H new ATOM 0 HH12 ARG B 24 -9.537 15.947 -2.976 1.00 2.14 H new ATOM 0 HH21 ARG B 24 -12.382 16.041 -0.898 1.00 2.77 H new ATOM 0 HH22 ARG B 24 -11.579 16.736 -2.310 1.00 2.77 H new ATOM 1311 N THR B 25 -8.917 9.887 -1.084 1.00 0.23 N ATOM 1312 CA THR B 25 -9.396 9.639 -2.440 1.00 0.24 C ATOM 1313 C THR B 25 -10.318 8.425 -2.467 1.00 0.22 C ATOM 1314 O THR B 25 -11.311 8.390 -3.192 1.00 0.23 O ATOM 1315 CB THR B 25 -8.221 9.386 -3.402 1.00 0.27 C ATOM 1316 OG1 THR B 25 -7.377 10.539 -3.438 1.00 0.31 O ATOM 1317 CG2 THR B 25 -8.711 9.068 -4.808 1.00 0.29 C ATOM 0 H THR B 25 -7.905 9.825 -0.975 1.00 0.23 H new ATOM 0 HA THR B 25 -9.942 10.526 -2.761 1.00 0.24 H new ATOM 0 HB THR B 25 -7.662 8.525 -3.036 1.00 0.27 H new ATOM 0 HG1 THR B 25 -6.849 10.584 -2.614 1.00 0.31 H new ATOM 0 HG21 THR B 25 -7.856 8.895 -5.461 1.00 0.29 H new ATOM 0 HG22 THR B 25 -9.335 8.174 -4.783 1.00 0.29 H new ATOM 0 HG23 THR B 25 -9.294 9.907 -5.188 1.00 0.29 H new ATOM 1325 N LEU B 26 -9.993 7.447 -1.637 1.00 0.20 N ATOM 1326 CA LEU B 26 -10.719 6.188 -1.617 1.00 0.19 C ATOM 1327 C LEU B 26 -11.884 6.279 -0.645 1.00 0.18 C ATOM 1328 O LEU B 26 -12.762 5.419 -0.623 1.00 0.21 O ATOM 1329 CB LEU B 26 -9.790 5.050 -1.194 1.00 0.19 C ATOM 1330 CG LEU B 26 -8.328 5.206 -1.617 1.00 0.20 C ATOM 1331 CD1 LEU B 26 -7.499 4.043 -1.109 1.00 0.20 C ATOM 1332 CD2 LEU B 26 -8.195 5.357 -3.131 1.00 0.24 C ATOM 0 H LEU B 26 -9.227 7.502 -0.965 1.00 0.20 H new ATOM 0 HA LEU B 26 -11.097 5.986 -2.619 1.00 0.19 H new ATOM 0 HB2 LEU B 26 -9.829 4.956 -0.109 1.00 0.19 H new ATOM 0 HB3 LEU B 26 -10.173 4.118 -1.608 1.00 0.19 H new ATOM 0 HG LEU B 26 -7.946 6.122 -1.166 1.00 0.20 H new ATOM 0 HD11 LEU B 26 -6.462 4.172 -1.420 1.00 0.20 H new ATOM 0 HD12 LEU B 26 -7.550 4.008 -0.021 1.00 0.20 H new ATOM 0 HD13 LEU B 26 -7.888 3.112 -1.521 1.00 0.20 H new ATOM 0 HD21 LEU B 26 -7.143 5.466 -3.395 1.00 0.24 H new ATOM 0 HD22 LEU B 26 -8.603 4.473 -3.622 1.00 0.24 H new ATOM 0 HD23 LEU B 26 -8.744 6.240 -3.458 1.00 0.24 H new ATOM 1344 N GLY B 27 -11.888 7.347 0.147 1.00 0.19 N ATOM 1345 CA GLY B 27 -12.877 7.510 1.198 1.00 0.21 C ATOM 1346 C GLY B 27 -12.756 6.463 2.289 1.00 0.24 C ATOM 1347 O GLY B 27 -13.714 6.202 3.019 1.00 0.34 O ATOM 0 H GLY B 27 -11.216 8.111 0.078 1.00 0.19 H new ATOM 0 HA2 GLY B 27 -12.771 8.501 1.639 1.00 0.21 H new ATOM 0 HA3 GLY B 27 -13.875 7.460 0.762 1.00 0.21 H new ATOM 1351 N ILE B 28 -11.576 5.874 2.414 1.00 0.22 N ATOM 1352 CA ILE B 28 -11.354 4.822 3.391 1.00 0.23 C ATOM 1353 C ILE B 28 -10.616 5.342 4.615 1.00 0.18 C ATOM 1354 O ILE B 28 -10.084 6.456 4.615 1.00 0.17 O ATOM 1355 CB ILE B 28 -10.537 3.646 2.819 1.00 0.31 C ATOM 1356 CG1 ILE B 28 -9.154 4.128 2.379 1.00 0.33 C ATOM 1357 CG2 ILE B 28 -11.279 2.989 1.662 1.00 0.40 C ATOM 1358 CD1 ILE B 28 -8.139 3.016 2.301 1.00 0.47 C ATOM 0 H ILE B 28 -10.758 6.108 1.851 1.00 0.22 H new ATOM 0 HA ILE B 28 -12.349 4.472 3.666 1.00 0.23 H new ATOM 0 HB ILE B 28 -10.407 2.898 3.601 1.00 0.31 H new ATOM 0 HG12 ILE B 28 -9.236 4.607 1.403 1.00 0.33 H new ATOM 0 HG13 ILE B 28 -8.801 4.887 3.077 1.00 0.33 H new ATOM 0 HG21 ILE B 28 -10.686 2.162 1.272 1.00 0.40 H new ATOM 0 HG22 ILE B 28 -12.240 2.613 2.013 1.00 0.40 H new ATOM 0 HG23 ILE B 28 -11.443 3.722 0.872 1.00 0.40 H new ATOM 0 HD11 ILE B 28 -7.178 3.422 1.984 1.00 0.47 H new ATOM 0 HD12 ILE B 28 -8.031 2.553 3.282 1.00 0.47 H new ATOM 0 HD13 ILE B 28 -8.473 2.269 1.581 1.00 0.47 H new ATOM 1370 N ALA B 29 -10.597 4.513 5.648 1.00 0.19 N ATOM 1371 CA ALA B 29 -9.852 4.780 6.867 1.00 0.18 C ATOM 1372 C ALA B 29 -9.918 3.588 7.792 1.00 0.19 C ATOM 1373 O ALA B 29 -10.881 2.829 7.768 1.00 0.21 O ATOM 1374 CB ALA B 29 -10.384 6.019 7.572 1.00 0.22 C ATOM 0 H ALA B 29 -11.104 3.628 5.663 1.00 0.19 H new ATOM 0 HA ALA B 29 -8.812 4.962 6.595 1.00 0.18 H new ATOM 0 HB1 ALA B 29 -9.809 6.196 8.481 1.00 0.22 H new ATOM 0 HB2 ALA B 29 -10.293 6.881 6.911 1.00 0.22 H new ATOM 0 HB3 ALA B 29 -11.432 5.869 7.830 1.00 0.22 H new ATOM 1380 N GLU B 30 -8.862 3.443 8.587 1.00 0.20 N ATOM 1381 CA GLU B 30 -8.765 2.467 9.668 1.00 0.22 C ATOM 1382 C GLU B 30 -9.435 1.109 9.403 1.00 0.24 C ATOM 1383 O GLU B 30 -8.805 0.183 8.904 1.00 0.25 O ATOM 1384 CB GLU B 30 -9.280 3.089 10.968 1.00 0.26 C ATOM 1385 CG GLU B 30 -10.449 4.045 10.795 1.00 0.28 C ATOM 1386 CD GLU B 30 -10.875 4.684 12.097 1.00 0.43 C ATOM 1387 OE1 GLU B 30 -11.686 4.077 12.826 1.00 1.11 O ATOM 1388 OE2 GLU B 30 -10.402 5.803 12.399 1.00 1.12 O ATOM 0 H GLU B 30 -8.025 4.019 8.494 1.00 0.20 H new ATOM 0 HA GLU B 30 -7.705 2.225 9.748 1.00 0.22 H new ATOM 0 HB2 GLU B 30 -9.580 2.288 11.644 1.00 0.26 H new ATOM 0 HB3 GLU B 30 -8.460 3.622 11.449 1.00 0.26 H new ATOM 0 HG2 GLU B 30 -10.174 4.825 10.085 1.00 0.28 H new ATOM 0 HG3 GLU B 30 -11.294 3.506 10.365 1.00 0.28 H new ATOM 1395 N LYS B 31 -10.702 1.000 9.752 1.00 0.26 N ATOM 1396 CA LYS B 31 -11.414 -0.272 9.722 1.00 0.30 C ATOM 1397 C LYS B 31 -11.880 -0.671 8.317 1.00 0.27 C ATOM 1398 O LYS B 31 -12.632 -1.637 8.172 1.00 0.33 O ATOM 1399 CB LYS B 31 -12.608 -0.201 10.665 1.00 0.37 C ATOM 1400 CG LYS B 31 -12.218 0.120 12.095 1.00 0.44 C ATOM 1401 CD LYS B 31 -11.412 -1.007 12.714 1.00 0.49 C ATOM 1402 CE LYS B 31 -9.948 -0.635 12.878 1.00 0.50 C ATOM 1403 NZ LYS B 31 -9.179 -1.703 13.573 1.00 0.65 N ATOM 0 H LYS B 31 -11.270 1.787 10.065 1.00 0.26 H new ATOM 0 HA LYS B 31 -10.713 -1.042 10.045 1.00 0.30 H new ATOM 0 HB2 LYS B 31 -13.303 0.558 10.305 1.00 0.37 H new ATOM 0 HB3 LYS B 31 -13.137 -1.154 10.644 1.00 0.37 H new ATOM 0 HG2 LYS B 31 -11.635 1.041 12.117 1.00 0.44 H new ATOM 0 HG3 LYS B 31 -13.115 0.296 12.688 1.00 0.44 H new ATOM 0 HD2 LYS B 31 -11.833 -1.262 13.687 1.00 0.49 H new ATOM 0 HD3 LYS B 31 -11.492 -1.896 12.089 1.00 0.49 H new ATOM 0 HE2 LYS B 31 -9.508 -0.450 11.898 1.00 0.50 H new ATOM 0 HE3 LYS B 31 -9.870 0.294 13.442 1.00 0.50 H new ATOM 0 HZ1 LYS B 31 -8.185 -1.411 13.665 1.00 0.65 H new ATOM 0 HZ2 LYS B 31 -9.582 -1.862 14.518 1.00 0.65 H new ATOM 0 HZ3 LYS B 31 -9.231 -2.583 13.022 1.00 0.65 H new ATOM 1417 N ASP B 32 -11.464 0.060 7.291 1.00 0.23 N ATOM 1418 CA ASP B 32 -11.904 -0.236 5.930 1.00 0.21 C ATOM 1419 C ASP B 32 -10.975 -1.234 5.261 1.00 0.19 C ATOM 1420 O ASP B 32 -9.972 -1.649 5.842 1.00 0.20 O ATOM 1421 CB ASP B 32 -12.009 1.031 5.082 1.00 0.25 C ATOM 1422 CG ASP B 32 -13.142 1.938 5.522 1.00 0.54 C ATOM 1423 OD1 ASP B 32 -14.245 1.426 5.812 1.00 1.37 O ATOM 1424 OD2 ASP B 32 -12.928 3.162 5.591 1.00 1.18 O ATOM 0 H ASP B 32 -10.829 0.854 7.371 1.00 0.23 H new ATOM 0 HA ASP B 32 -12.898 -0.677 6.005 1.00 0.21 H new ATOM 0 HB2 ASP B 32 -11.068 1.579 5.137 1.00 0.25 H new ATOM 0 HB3 ASP B 32 -12.156 0.753 4.038 1.00 0.25 H new ATOM 1429 N ALA B 33 -11.317 -1.630 4.045 1.00 0.18 N ATOM 1430 CA ALA B 33 -10.552 -2.642 3.337 1.00 0.19 C ATOM 1431 C ALA B 33 -10.004 -2.138 2.001 1.00 0.19 C ATOM 1432 O ALA B 33 -10.582 -1.260 1.357 1.00 0.22 O ATOM 1433 CB ALA B 33 -11.418 -3.871 3.123 1.00 0.22 C ATOM 0 H ALA B 33 -12.118 -1.266 3.529 1.00 0.18 H new ATOM 0 HA ALA B 33 -9.689 -2.895 3.953 1.00 0.19 H new ATOM 0 HB1 ALA B 33 -10.846 -4.631 2.592 1.00 0.22 H new ATOM 0 HB2 ALA B 33 -11.736 -4.265 4.088 1.00 0.22 H new ATOM 0 HB3 ALA B 33 -12.295 -3.600 2.535 1.00 0.22 H new ATOM 1439 N LEU B 34 -8.874 -2.710 1.608 1.00 0.19 N ATOM 1440 CA LEU B 34 -8.268 -2.459 0.306 1.00 0.19 C ATOM 1441 C LEU B 34 -8.102 -3.777 -0.432 1.00 0.20 C ATOM 1442 O LEU B 34 -8.018 -4.836 0.183 1.00 0.23 O ATOM 1443 CB LEU B 34 -6.886 -1.805 0.439 1.00 0.23 C ATOM 1444 CG LEU B 34 -6.856 -0.351 0.910 1.00 0.46 C ATOM 1445 CD1 LEU B 34 -7.060 -0.266 2.414 1.00 1.23 C ATOM 1446 CD2 LEU B 34 -5.537 0.301 0.512 1.00 0.85 C ATOM 0 H LEU B 34 -8.348 -3.365 2.187 1.00 0.19 H new ATOM 0 HA LEU B 34 -8.924 -1.781 -0.240 1.00 0.19 H new ATOM 0 HB2 LEU B 34 -6.294 -2.400 1.134 1.00 0.23 H new ATOM 0 HB3 LEU B 34 -6.390 -1.859 -0.530 1.00 0.23 H new ATOM 0 HG LEU B 34 -7.673 0.186 0.428 1.00 0.46 H new ATOM 0 HD11 LEU B 34 -7.035 0.778 2.726 1.00 1.23 H new ATOM 0 HD12 LEU B 34 -8.025 -0.700 2.675 1.00 1.23 H new ATOM 0 HD13 LEU B 34 -6.266 -0.815 2.920 1.00 1.23 H new ATOM 0 HD21 LEU B 34 -5.526 1.337 0.852 1.00 0.85 H new ATOM 0 HD22 LEU B 34 -4.710 -0.241 0.971 1.00 0.85 H new ATOM 0 HD23 LEU B 34 -5.431 0.274 -0.572 1.00 0.85 H new ATOM 1458 N GLU B 35 -8.038 -3.695 -1.742 1.00 0.19 N ATOM 1459 CA GLU B 35 -7.786 -4.846 -2.582 1.00 0.20 C ATOM 1460 C GLU B 35 -6.385 -4.745 -3.171 1.00 0.19 C ATOM 1461 O GLU B 35 -6.122 -3.933 -4.061 1.00 0.20 O ATOM 1462 CB GLU B 35 -8.833 -4.948 -3.691 1.00 0.23 C ATOM 1463 CG GLU B 35 -10.195 -5.368 -3.173 1.00 0.78 C ATOM 1464 CD GLU B 35 -11.223 -5.547 -4.274 1.00 0.77 C ATOM 1465 OE1 GLU B 35 -11.907 -4.565 -4.633 1.00 1.40 O ATOM 1466 OE2 GLU B 35 -11.357 -6.681 -4.779 1.00 1.30 O ATOM 0 H GLU B 35 -8.160 -2.824 -2.258 1.00 0.19 H new ATOM 0 HA GLU B 35 -7.855 -5.750 -1.977 1.00 0.20 H new ATOM 0 HB2 GLU B 35 -8.921 -3.984 -4.192 1.00 0.23 H new ATOM 0 HB3 GLU B 35 -8.496 -5.666 -4.438 1.00 0.23 H new ATOM 0 HG2 GLU B 35 -10.095 -6.303 -2.623 1.00 0.78 H new ATOM 0 HG3 GLU B 35 -10.555 -4.620 -2.467 1.00 0.78 H new ATOM 1473 N ILE B 36 -5.490 -5.550 -2.636 1.00 0.20 N ATOM 1474 CA ILE B 36 -4.089 -5.520 -3.019 1.00 0.22 C ATOM 1475 C ILE B 36 -3.810 -6.470 -4.181 1.00 0.24 C ATOM 1476 O ILE B 36 -4.106 -7.665 -4.119 1.00 0.26 O ATOM 1477 CB ILE B 36 -3.170 -5.884 -1.820 1.00 0.25 C ATOM 1478 CG1 ILE B 36 -2.999 -4.695 -0.870 1.00 0.28 C ATOM 1479 CG2 ILE B 36 -1.805 -6.369 -2.294 1.00 0.29 C ATOM 1480 CD1 ILE B 36 -4.277 -4.251 -0.200 1.00 0.25 C ATOM 0 H ILE B 36 -5.711 -6.245 -1.923 1.00 0.20 H new ATOM 0 HA ILE B 36 -3.868 -4.501 -3.337 1.00 0.22 H new ATOM 0 HB ILE B 36 -3.657 -6.695 -1.279 1.00 0.25 H new ATOM 0 HG12 ILE B 36 -2.272 -4.959 -0.102 1.00 0.28 H new ATOM 0 HG13 ILE B 36 -2.583 -3.856 -1.427 1.00 0.28 H new ATOM 0 HG21 ILE B 36 -1.187 -6.615 -1.431 1.00 0.29 H new ATOM 0 HG22 ILE B 36 -1.930 -7.255 -2.916 1.00 0.29 H new ATOM 0 HG23 ILE B 36 -1.321 -5.584 -2.875 1.00 0.29 H new ATOM 0 HD11 ILE B 36 -4.069 -3.405 0.456 1.00 0.25 H new ATOM 0 HD12 ILE B 36 -5.001 -3.953 -0.958 1.00 0.25 H new ATOM 0 HD13 ILE B 36 -4.685 -5.074 0.387 1.00 0.25 H new ATOM 1492 N TYR B 37 -3.241 -5.922 -5.235 1.00 0.24 N ATOM 1493 CA TYR B 37 -2.754 -6.696 -6.354 1.00 0.24 C ATOM 1494 C TYR B 37 -1.239 -6.556 -6.383 1.00 0.18 C ATOM 1495 O TYR B 37 -0.677 -5.780 -5.611 1.00 0.23 O ATOM 1496 CB TYR B 37 -3.311 -6.202 -7.692 1.00 0.31 C ATOM 1497 CG TYR B 37 -4.808 -5.965 -7.735 1.00 1.09 C ATOM 1498 CD1 TYR B 37 -5.362 -4.780 -7.261 1.00 2.07 C ATOM 1499 CD2 TYR B 37 -5.664 -6.917 -8.267 1.00 1.84 C ATOM 1500 CE1 TYR B 37 -6.726 -4.557 -7.315 1.00 3.02 C ATOM 1501 CE2 TYR B 37 -7.028 -6.701 -8.330 1.00 2.78 C ATOM 1502 CZ TYR B 37 -7.555 -5.521 -7.850 1.00 3.21 C ATOM 1503 OH TYR B 37 -8.914 -5.303 -7.914 1.00 4.28 O ATOM 0 H TYR B 37 -3.103 -4.917 -5.338 1.00 0.24 H new ATOM 0 HA TYR B 37 -3.075 -7.730 -6.225 1.00 0.24 H new ATOM 0 HB2 TYR B 37 -2.807 -5.271 -7.953 1.00 0.31 H new ATOM 0 HB3 TYR B 37 -3.055 -6.930 -8.462 1.00 0.31 H new ATOM 0 HD1 TYR B 37 -4.716 -4.022 -6.844 1.00 2.07 H new ATOM 0 HD2 TYR B 37 -5.257 -7.846 -8.640 1.00 1.84 H new ATOM 0 HE1 TYR B 37 -7.140 -3.633 -6.940 1.00 3.02 H new ATOM 0 HE2 TYR B 37 -7.678 -7.453 -8.753 1.00 2.78 H new ATOM 0 HH TYR B 37 -9.351 -6.081 -8.319 1.00 4.28 H new ATOM 1513 N VAL B 38 -0.578 -7.273 -7.270 1.00 0.21 N ATOM 1514 CA VAL B 38 0.861 -7.140 -7.403 1.00 0.20 C ATOM 1515 C VAL B 38 1.237 -6.943 -8.866 1.00 0.20 C ATOM 1516 O VAL B 38 0.611 -7.515 -9.760 1.00 0.26 O ATOM 1517 CB VAL B 38 1.608 -8.359 -6.814 1.00 0.23 C ATOM 1518 CG1 VAL B 38 1.352 -9.619 -7.624 1.00 0.28 C ATOM 1519 CG2 VAL B 38 3.095 -8.064 -6.721 1.00 0.21 C ATOM 0 H VAL B 38 -1.008 -7.947 -7.904 1.00 0.21 H new ATOM 0 HA VAL B 38 1.167 -6.263 -6.833 1.00 0.20 H new ATOM 0 HB VAL B 38 1.223 -8.540 -5.811 1.00 0.23 H new ATOM 0 HG11 VAL B 38 1.894 -10.454 -7.179 1.00 0.28 H new ATOM 0 HG12 VAL B 38 0.284 -9.839 -7.627 1.00 0.28 H new ATOM 0 HG13 VAL B 38 1.694 -9.469 -8.648 1.00 0.28 H new ATOM 0 HG21 VAL B 38 3.612 -8.929 -6.305 1.00 0.21 H new ATOM 0 HG22 VAL B 38 3.487 -7.851 -7.716 1.00 0.21 H new ATOM 0 HG23 VAL B 38 3.255 -7.200 -6.075 1.00 0.21 H new ATOM 1529 N ASP B 39 2.239 -6.111 -9.103 1.00 0.18 N ATOM 1530 CA ASP B 39 2.690 -5.829 -10.453 1.00 0.22 C ATOM 1531 C ASP B 39 4.200 -5.976 -10.553 1.00 0.26 C ATOM 1532 O ASP B 39 4.936 -4.990 -10.518 1.00 0.29 O ATOM 1533 CB ASP B 39 2.260 -4.429 -10.891 1.00 0.24 C ATOM 1534 CG ASP B 39 2.573 -4.160 -12.349 1.00 0.39 C ATOM 1535 OD1 ASP B 39 1.731 -4.486 -13.208 1.00 1.12 O ATOM 1536 OD2 ASP B 39 3.655 -3.616 -12.642 1.00 1.07 O ATOM 0 H ASP B 39 2.756 -5.619 -8.374 1.00 0.18 H new ATOM 0 HA ASP B 39 2.225 -6.553 -11.123 1.00 0.22 H new ATOM 0 HB2 ASP B 39 1.189 -4.312 -10.724 1.00 0.24 H new ATOM 0 HB3 ASP B 39 2.763 -3.687 -10.271 1.00 0.24 H new ATOM 1541 N ASP B 40 4.630 -7.230 -10.630 1.00 0.30 N ATOM 1542 CA ASP B 40 6.038 -7.614 -10.810 1.00 0.36 C ATOM 1543 C ASP B 40 6.935 -7.110 -9.677 1.00 0.39 C ATOM 1544 O ASP B 40 7.351 -7.882 -8.814 1.00 0.46 O ATOM 1545 CB ASP B 40 6.580 -7.119 -12.154 1.00 0.48 C ATOM 1546 CG ASP B 40 7.668 -8.026 -12.694 1.00 0.92 C ATOM 1547 OD1 ASP B 40 7.341 -9.147 -13.138 1.00 1.59 O ATOM 1548 OD2 ASP B 40 8.850 -7.633 -12.672 1.00 1.64 O ATOM 0 H ASP B 40 4.001 -8.031 -10.568 1.00 0.30 H new ATOM 0 HA ASP B 40 6.059 -8.704 -10.792 1.00 0.36 H new ATOM 0 HB2 ASP B 40 5.765 -7.061 -12.875 1.00 0.48 H new ATOM 0 HB3 ASP B 40 6.974 -6.109 -12.037 1.00 0.48 H new ATOM 1553 N GLU B 41 7.235 -5.819 -9.695 1.00 0.45 N ATOM 1554 CA GLU B 41 8.148 -5.223 -8.729 1.00 0.58 C ATOM 1555 C GLU B 41 7.393 -4.364 -7.720 1.00 0.41 C ATOM 1556 O GLU B 41 7.853 -4.154 -6.597 1.00 0.46 O ATOM 1557 CB GLU B 41 9.172 -4.351 -9.449 1.00 0.87 C ATOM 1558 CG GLU B 41 9.806 -5.015 -10.656 1.00 1.33 C ATOM 1559 CD GLU B 41 10.797 -4.108 -11.351 1.00 1.98 C ATOM 1560 OE1 GLU B 41 10.375 -3.317 -12.223 1.00 2.81 O ATOM 1561 OE2 GLU B 41 12.000 -4.164 -11.010 1.00 2.10 O ATOM 0 H GLU B 41 6.856 -5.159 -10.374 1.00 0.45 H new ATOM 0 HA GLU B 41 8.651 -6.033 -8.201 1.00 0.58 H new ATOM 0 HB2 GLU B 41 8.688 -3.428 -9.767 1.00 0.87 H new ATOM 0 HB3 GLU B 41 9.957 -4.074 -8.745 1.00 0.87 H new ATOM 0 HG2 GLU B 41 10.310 -5.929 -10.343 1.00 1.33 H new ATOM 0 HG3 GLU B 41 9.026 -5.306 -11.360 1.00 1.33 H new ATOM 1568 N LYS B 42 6.236 -3.865 -8.130 1.00 0.34 N ATOM 1569 CA LYS B 42 5.489 -2.925 -7.308 1.00 0.31 C ATOM 1570 C LYS B 42 4.145 -3.490 -6.879 1.00 0.24 C ATOM 1571 O LYS B 42 3.646 -4.456 -7.457 1.00 0.27 O ATOM 1572 CB LYS B 42 5.303 -1.590 -8.035 1.00 0.44 C ATOM 1573 CG LYS B 42 4.632 -1.690 -9.397 1.00 0.84 C ATOM 1574 CD LYS B 42 4.567 -0.320 -10.061 1.00 0.92 C ATOM 1575 CE LYS B 42 3.639 -0.299 -11.268 1.00 0.48 C ATOM 1576 NZ LYS B 42 4.169 -1.083 -12.410 1.00 0.98 N ATOM 0 H LYS B 42 5.796 -4.094 -9.022 1.00 0.34 H new ATOM 0 HA LYS B 42 6.076 -2.751 -6.406 1.00 0.31 H new ATOM 0 HB2 LYS B 42 4.712 -0.928 -7.403 1.00 0.44 H new ATOM 0 HB3 LYS B 42 6.280 -1.122 -8.161 1.00 0.44 H new ATOM 0 HG2 LYS B 42 5.185 -2.382 -10.032 1.00 0.84 H new ATOM 0 HG3 LYS B 42 3.626 -2.094 -9.285 1.00 0.84 H new ATOM 0 HD2 LYS B 42 4.227 0.417 -9.333 1.00 0.92 H new ATOM 0 HD3 LYS B 42 5.569 -0.023 -10.372 1.00 0.92 H new ATOM 0 HE2 LYS B 42 2.666 -0.696 -10.980 1.00 0.48 H new ATOM 0 HE3 LYS B 42 3.482 0.733 -11.583 1.00 0.48 H new ATOM 0 HZ1 LYS B 42 3.703 -0.776 -13.288 1.00 0.98 H new ATOM 0 HZ2 LYS B 42 5.195 -0.930 -12.490 1.00 0.98 H new ATOM 0 HZ3 LYS B 42 3.981 -2.094 -12.254 1.00 0.98 H new ATOM 1590 N ILE B 43 3.571 -2.875 -5.859 1.00 0.20 N ATOM 1591 CA ILE B 43 2.311 -3.317 -5.300 1.00 0.19 C ATOM 1592 C ILE B 43 1.192 -2.364 -5.707 1.00 0.18 C ATOM 1593 O ILE B 43 1.376 -1.144 -5.718 1.00 0.20 O ATOM 1594 CB ILE B 43 2.389 -3.399 -3.765 1.00 0.24 C ATOM 1595 CG1 ILE B 43 3.578 -4.273 -3.347 1.00 0.31 C ATOM 1596 CG2 ILE B 43 1.087 -3.947 -3.199 1.00 0.28 C ATOM 1597 CD1 ILE B 43 3.854 -4.258 -1.859 1.00 0.42 C ATOM 0 H ILE B 43 3.967 -2.056 -5.398 1.00 0.20 H new ATOM 0 HA ILE B 43 2.098 -4.312 -5.691 1.00 0.19 H new ATOM 0 HB ILE B 43 2.539 -2.397 -3.362 1.00 0.24 H new ATOM 0 HG12 ILE B 43 3.391 -5.300 -3.662 1.00 0.31 H new ATOM 0 HG13 ILE B 43 4.469 -3.935 -3.876 1.00 0.31 H new ATOM 0 HG21 ILE B 43 1.156 -4.000 -2.112 1.00 0.28 H new ATOM 0 HG22 ILE B 43 0.264 -3.290 -3.479 1.00 0.28 H new ATOM 0 HG23 ILE B 43 0.907 -4.945 -3.600 1.00 0.28 H new ATOM 0 HD11 ILE B 43 4.708 -4.899 -1.641 1.00 0.42 H new ATOM 0 HD12 ILE B 43 4.074 -3.239 -1.540 1.00 0.42 H new ATOM 0 HD13 ILE B 43 2.979 -4.625 -1.323 1.00 0.42 H new ATOM 1609 N ILE B 44 0.041 -2.927 -6.043 1.00 0.17 N ATOM 1610 CA ILE B 44 -1.088 -2.144 -6.530 1.00 0.17 C ATOM 1611 C ILE B 44 -2.264 -2.292 -5.579 1.00 0.18 C ATOM 1612 O ILE B 44 -2.868 -3.348 -5.512 1.00 0.24 O ATOM 1613 CB ILE B 44 -1.543 -2.599 -7.940 1.00 0.21 C ATOM 1614 CG1 ILE B 44 -0.342 -2.837 -8.866 1.00 0.25 C ATOM 1615 CG2 ILE B 44 -2.483 -1.563 -8.543 1.00 0.25 C ATOM 1616 CD1 ILE B 44 0.519 -1.616 -9.091 1.00 0.25 C ATOM 0 H ILE B 44 -0.137 -3.930 -5.987 1.00 0.17 H new ATOM 0 HA ILE B 44 -0.760 -1.106 -6.586 1.00 0.17 H new ATOM 0 HB ILE B 44 -2.074 -3.546 -7.837 1.00 0.21 H new ATOM 0 HG12 ILE B 44 0.275 -3.630 -8.445 1.00 0.25 H new ATOM 0 HG13 ILE B 44 -0.706 -3.194 -9.830 1.00 0.25 H new ATOM 0 HG21 ILE B 44 -2.798 -1.890 -9.534 1.00 0.25 H new ATOM 0 HG22 ILE B 44 -3.358 -1.450 -7.903 1.00 0.25 H new ATOM 0 HG23 ILE B 44 -1.966 -0.607 -8.624 1.00 0.25 H new ATOM 0 HD11 ILE B 44 1.344 -1.870 -9.756 1.00 0.25 H new ATOM 0 HD12 ILE B 44 -0.081 -0.826 -9.543 1.00 0.25 H new ATOM 0 HD13 ILE B 44 0.916 -1.270 -8.137 1.00 0.25 H new ATOM 1628 N LEU B 45 -2.601 -1.249 -4.848 1.00 0.19 N ATOM 1629 CA LEU B 45 -3.667 -1.353 -3.862 1.00 0.20 C ATOM 1630 C LEU B 45 -4.806 -0.420 -4.224 1.00 0.21 C ATOM 1631 O LEU B 45 -4.638 0.797 -4.270 1.00 0.29 O ATOM 1632 CB LEU B 45 -3.178 -1.024 -2.444 1.00 0.36 C ATOM 1633 CG LEU B 45 -1.713 -1.357 -2.141 1.00 0.43 C ATOM 1634 CD1 LEU B 45 -0.794 -0.286 -2.705 1.00 1.29 C ATOM 1635 CD2 LEU B 45 -1.498 -1.503 -0.645 1.00 1.22 C ATOM 0 H LEU B 45 -2.162 -0.331 -4.913 1.00 0.19 H new ATOM 0 HA LEU B 45 -4.011 -2.387 -3.870 1.00 0.20 H new ATOM 0 HB2 LEU B 45 -3.331 0.040 -2.267 1.00 0.36 H new ATOM 0 HB3 LEU B 45 -3.806 -1.560 -1.732 1.00 0.36 H new ATOM 0 HG LEU B 45 -1.472 -2.306 -2.620 1.00 0.43 H new ATOM 0 HD11 LEU B 45 0.242 -0.540 -2.480 1.00 1.29 H new ATOM 0 HD12 LEU B 45 -0.926 -0.225 -3.785 1.00 1.29 H new ATOM 0 HD13 LEU B 45 -1.038 0.676 -2.255 1.00 1.29 H new ATOM 0 HD21 LEU B 45 -0.452 -1.739 -0.449 1.00 1.22 H new ATOM 0 HD22 LEU B 45 -1.758 -0.569 -0.147 1.00 1.22 H new ATOM 0 HD23 LEU B 45 -2.129 -2.306 -0.263 1.00 1.22 H new ATOM 1647 N LYS B 46 -5.955 -0.993 -4.495 1.00 0.20 N ATOM 1648 CA LYS B 46 -7.141 -0.222 -4.800 1.00 0.25 C ATOM 1649 C LYS B 46 -8.182 -0.489 -3.732 1.00 0.29 C ATOM 1650 O LYS B 46 -8.303 -1.614 -3.285 1.00 0.52 O ATOM 1651 CB LYS B 46 -7.664 -0.606 -6.186 1.00 0.31 C ATOM 1652 CG LYS B 46 -8.959 0.080 -6.579 1.00 0.63 C ATOM 1653 CD LYS B 46 -9.266 -0.143 -8.045 1.00 0.65 C ATOM 1654 CE LYS B 46 -9.599 -1.595 -8.319 1.00 0.97 C ATOM 1655 NZ LYS B 46 -9.833 -1.848 -9.767 1.00 1.22 N ATOM 0 H LYS B 46 -6.096 -2.003 -4.511 1.00 0.20 H new ATOM 0 HA LYS B 46 -6.909 0.843 -4.811 1.00 0.25 H new ATOM 0 HB2 LYS B 46 -6.901 -0.368 -6.928 1.00 0.31 H new ATOM 0 HB3 LYS B 46 -7.814 -1.685 -6.218 1.00 0.31 H new ATOM 0 HG2 LYS B 46 -9.778 -0.303 -5.970 1.00 0.63 H new ATOM 0 HG3 LYS B 46 -8.885 1.149 -6.377 1.00 0.63 H new ATOM 0 HD2 LYS B 46 -10.103 0.488 -8.344 1.00 0.65 H new ATOM 0 HD3 LYS B 46 -8.409 0.157 -8.649 1.00 0.65 H new ATOM 0 HE2 LYS B 46 -8.783 -2.227 -7.967 1.00 0.97 H new ATOM 0 HE3 LYS B 46 -10.487 -1.877 -7.753 1.00 0.97 H new ATOM 0 HZ1 LYS B 46 -10.058 -2.853 -9.912 1.00 1.22 H new ATOM 0 HZ2 LYS B 46 -10.628 -1.264 -10.097 1.00 1.22 H new ATOM 0 HZ3 LYS B 46 -8.977 -1.604 -10.305 1.00 1.22 H new ATOM 1669 N LYS B 47 -8.900 0.544 -3.306 1.00 0.23 N ATOM 1670 CA LYS B 47 -9.925 0.400 -2.266 1.00 0.25 C ATOM 1671 C LYS B 47 -10.833 -0.785 -2.558 1.00 0.26 C ATOM 1672 O LYS B 47 -11.088 -1.107 -3.721 1.00 0.28 O ATOM 1673 CB LYS B 47 -10.782 1.668 -2.184 1.00 0.31 C ATOM 1674 CG LYS B 47 -11.540 1.964 -3.473 1.00 1.18 C ATOM 1675 CD LYS B 47 -12.491 3.136 -3.317 1.00 1.15 C ATOM 1676 CE LYS B 47 -13.314 3.346 -4.581 1.00 2.19 C ATOM 1677 NZ LYS B 47 -14.282 4.461 -4.440 1.00 2.50 N ATOM 0 H LYS B 47 -8.795 1.494 -3.662 1.00 0.23 H new ATOM 0 HA LYS B 47 -9.413 0.236 -1.318 1.00 0.25 H new ATOM 0 HB2 LYS B 47 -11.495 1.565 -1.366 1.00 0.31 H new ATOM 0 HB3 LYS B 47 -10.142 2.517 -1.943 1.00 0.31 H new ATOM 0 HG2 LYS B 47 -10.829 2.178 -4.271 1.00 1.18 H new ATOM 0 HG3 LYS B 47 -12.101 1.080 -3.775 1.00 1.18 H new ATOM 0 HD2 LYS B 47 -13.156 2.959 -2.472 1.00 1.15 H new ATOM 0 HD3 LYS B 47 -11.925 4.040 -3.093 1.00 1.15 H new ATOM 0 HE2 LYS B 47 -12.646 3.551 -5.418 1.00 2.19 H new ATOM 0 HE3 LYS B 47 -13.852 2.428 -4.819 1.00 2.19 H new ATOM 0 HZ1 LYS B 47 -14.820 4.568 -5.324 1.00 2.50 H new ATOM 0 HZ2 LYS B 47 -14.937 4.255 -3.659 1.00 2.50 H new ATOM 0 HZ3 LYS B 47 -13.769 5.343 -4.239 1.00 2.50 H new ATOM 1691 N TYR B 48 -11.317 -1.431 -1.508 1.00 0.33 N ATOM 1692 CA TYR B 48 -12.249 -2.530 -1.667 1.00 0.40 C ATOM 1693 C TYR B 48 -13.489 -2.030 -2.385 1.00 0.51 C ATOM 1694 O TYR B 48 -13.964 -0.920 -2.117 1.00 0.62 O ATOM 1695 CB TYR B 48 -12.617 -3.106 -0.296 1.00 0.54 C ATOM 1696 CG TYR B 48 -13.599 -4.257 -0.345 1.00 1.10 C ATOM 1697 CD1 TYR B 48 -13.226 -5.496 -0.848 1.00 2.03 C ATOM 1698 CD2 TYR B 48 -14.899 -4.103 0.123 1.00 1.59 C ATOM 1699 CE1 TYR B 48 -14.121 -6.549 -0.886 1.00 2.67 C ATOM 1700 CE2 TYR B 48 -15.799 -5.152 0.089 1.00 2.26 C ATOM 1701 CZ TYR B 48 -15.405 -6.371 -0.417 1.00 2.61 C ATOM 1702 OH TYR B 48 -16.297 -7.419 -0.449 1.00 3.39 O ATOM 0 H TYR B 48 -11.079 -1.212 -0.541 1.00 0.33 H new ATOM 0 HA TYR B 48 -11.788 -3.321 -2.258 1.00 0.40 H new ATOM 0 HB2 TYR B 48 -11.706 -3.442 0.200 1.00 0.54 H new ATOM 0 HB3 TYR B 48 -13.039 -2.310 0.318 1.00 0.54 H new ATOM 0 HD1 TYR B 48 -12.221 -5.640 -1.215 1.00 2.03 H new ATOM 0 HD2 TYR B 48 -15.211 -3.148 0.520 1.00 1.59 H new ATOM 0 HE1 TYR B 48 -13.816 -7.507 -1.281 1.00 2.67 H new ATOM 0 HE2 TYR B 48 -16.805 -5.016 0.457 1.00 2.26 H new ATOM 0 HH TYR B 48 -17.157 -7.128 -0.081 1.00 3.39 H new