USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=18 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 29:sc= -2.9! USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.025 USER MOD Single : A 9 LYS NZ :NH3+ -152:sc= 1.11 (180deg=0.746) USER MOD Single : A 25 THR OG1 : rot 67:sc= 1.22 USER MOD Single : A 31 LYS NZ :NH3+ 174:sc= 0.61 (180deg=0.592) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 169:sc= 1.13 (180deg=0.902) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -141:sc= 1.24 (180deg=-0.401) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 3 SER OG : rot 33:sc= -1.56 USER MOD Single : B 4 THR OG1 : rot 180:sc= -0.0834 USER MOD Single : B 9 LYS NZ :NH3+ -157:sc= 1.14 (180deg=0.784) USER MOD Single : B 25 THR OG1 : rot 59:sc= 1.27 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 TYR OH : rot -148:sc= 1.26 USER MOD Single : B 42 LYS NZ :NH3+ -148:sc= 1.3 (180deg=-0.279) USER MOD Single : B 46 LYS NZ :NH3+ 178:sc= 1.28 (180deg=1.22) USER MOD Single : B 47 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.179) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 -2.153 -12.066 -3.527 1.00 0.48 N ATOM 43 CA SER A 3 -2.312 -10.783 -4.190 1.00 0.40 C ATOM 44 C SER A 3 -3.208 -10.897 -5.414 1.00 0.40 C ATOM 45 O SER A 3 -3.945 -11.874 -5.571 1.00 0.46 O ATOM 46 CB SER A 3 -0.947 -10.255 -4.615 1.00 0.41 C ATOM 47 OG SER A 3 -0.155 -9.947 -3.489 1.00 0.44 O ATOM 0 HA SER A 3 -2.780 -10.096 -3.485 1.00 0.40 H new ATOM 0 HB2 SER A 3 -0.440 -10.999 -5.229 1.00 0.41 H new ATOM 0 HB3 SER A 3 -1.072 -9.365 -5.231 1.00 0.41 H new ATOM 0 HG SER A 3 -0.411 -10.526 -2.741 1.00 0.44 H new ATOM 53 N THR A 4 -3.134 -9.877 -6.264 1.00 0.37 N ATOM 54 CA THR A 4 -3.862 -9.841 -7.520 1.00 0.37 C ATOM 55 C THR A 4 -5.367 -9.869 -7.274 1.00 0.37 C ATOM 56 O THR A 4 -6.092 -10.733 -7.773 1.00 0.48 O ATOM 57 CB THR A 4 -3.439 -11.005 -8.438 1.00 0.39 C ATOM 58 OG1 THR A 4 -2.011 -11.132 -8.413 1.00 0.35 O ATOM 59 CG2 THR A 4 -3.898 -10.769 -9.868 1.00 0.45 C ATOM 0 H THR A 4 -2.563 -9.049 -6.096 1.00 0.37 H new ATOM 0 HA THR A 4 -3.615 -8.907 -8.024 1.00 0.37 H new ATOM 0 HB THR A 4 -3.906 -11.920 -8.073 1.00 0.39 H new ATOM 0 HG1 THR A 4 -1.738 -11.872 -8.994 1.00 0.35 H new ATOM 0 HG21 THR A 4 -3.586 -11.606 -10.493 1.00 0.45 H new ATOM 0 HG22 THR A 4 -4.984 -10.684 -9.892 1.00 0.45 H new ATOM 0 HG23 THR A 4 -3.453 -9.848 -10.246 1.00 0.45 H new ATOM 67 N GLY A 5 -5.831 -8.920 -6.482 1.00 0.31 N ATOM 68 CA GLY A 5 -7.232 -8.845 -6.165 1.00 0.30 C ATOM 69 C GLY A 5 -7.546 -9.458 -4.817 1.00 0.28 C ATOM 70 O GLY A 5 -8.596 -10.075 -4.625 1.00 0.32 O ATOM 0 H GLY A 5 -5.255 -8.196 -6.051 1.00 0.31 H new ATOM 0 HA2 GLY A 5 -7.549 -7.802 -6.171 1.00 0.30 H new ATOM 0 HA3 GLY A 5 -7.806 -9.357 -6.938 1.00 0.30 H new ATOM 74 N ILE A 6 -6.628 -9.284 -3.879 1.00 0.27 N ATOM 75 CA ILE A 6 -6.835 -9.735 -2.517 1.00 0.28 C ATOM 76 C ILE A 6 -7.405 -8.578 -1.724 1.00 0.27 C ATOM 77 O ILE A 6 -7.276 -7.428 -2.123 1.00 0.40 O ATOM 78 CB ILE A 6 -5.520 -10.249 -1.869 1.00 0.34 C ATOM 79 CG1 ILE A 6 -5.818 -11.047 -0.596 1.00 0.38 C ATOM 80 CG2 ILE A 6 -4.572 -9.100 -1.555 1.00 0.35 C ATOM 81 CD1 ILE A 6 -6.683 -12.265 -0.833 1.00 0.49 C ATOM 0 H ILE A 6 -5.729 -8.831 -4.040 1.00 0.27 H new ATOM 0 HA ILE A 6 -7.528 -10.577 -2.518 1.00 0.28 H new ATOM 0 HB ILE A 6 -5.034 -10.906 -2.590 1.00 0.34 H new ATOM 0 HG12 ILE A 6 -4.877 -11.362 -0.146 1.00 0.38 H new ATOM 0 HG13 ILE A 6 -6.313 -10.395 0.124 1.00 0.38 H new ATOM 0 HG21 ILE A 6 -3.661 -9.493 -1.103 1.00 0.35 H new ATOM 0 HG22 ILE A 6 -4.322 -8.573 -2.476 1.00 0.35 H new ATOM 0 HG23 ILE A 6 -5.053 -8.410 -0.862 1.00 0.35 H new ATOM 0 HD11 ILE A 6 -6.852 -12.781 0.112 1.00 0.49 H new ATOM 0 HD12 ILE A 6 -7.640 -11.956 -1.254 1.00 0.49 H new ATOM 0 HD13 ILE A 6 -6.181 -12.938 -1.528 1.00 0.49 H new ATOM 93 N VAL A 7 -8.021 -8.872 -0.615 1.00 0.24 N ATOM 94 CA VAL A 7 -8.662 -7.839 0.169 1.00 0.24 C ATOM 95 C VAL A 7 -8.122 -7.864 1.598 1.00 0.27 C ATOM 96 O VAL A 7 -8.087 -8.917 2.238 1.00 0.34 O ATOM 97 CB VAL A 7 -10.198 -7.991 0.161 1.00 0.30 C ATOM 98 CG1 VAL A 7 -10.628 -9.356 0.694 1.00 0.37 C ATOM 99 CG2 VAL A 7 -10.833 -6.871 0.958 1.00 0.34 C ATOM 0 H VAL A 7 -8.097 -9.813 -0.229 1.00 0.24 H new ATOM 0 HA VAL A 7 -8.431 -6.874 -0.283 1.00 0.24 H new ATOM 0 HB VAL A 7 -10.543 -7.926 -0.871 1.00 0.30 H new ATOM 0 HG11 VAL A 7 -11.715 -9.428 0.674 1.00 0.37 H new ATOM 0 HG12 VAL A 7 -10.201 -10.141 0.070 1.00 0.37 H new ATOM 0 HG13 VAL A 7 -10.275 -9.474 1.719 1.00 0.37 H new ATOM 0 HG21 VAL A 7 -11.917 -6.986 0.947 1.00 0.34 H new ATOM 0 HG22 VAL A 7 -10.474 -6.908 1.987 1.00 0.34 H new ATOM 0 HG23 VAL A 7 -10.565 -5.912 0.515 1.00 0.34 H new ATOM 109 N ARG A 8 -7.650 -6.722 2.080 1.00 0.26 N ATOM 110 CA ARG A 8 -7.119 -6.631 3.434 1.00 0.32 C ATOM 111 C ARG A 8 -7.600 -5.360 4.119 1.00 0.27 C ATOM 112 O ARG A 8 -8.195 -4.489 3.484 1.00 0.22 O ATOM 113 CB ARG A 8 -5.589 -6.689 3.422 1.00 0.40 C ATOM 114 CG ARG A 8 -5.052 -8.082 3.146 1.00 0.53 C ATOM 115 CD ARG A 8 -3.894 -8.059 2.164 1.00 0.54 C ATOM 116 NE ARG A 8 -3.452 -9.407 1.785 1.00 0.76 N ATOM 117 CZ ARG A 8 -2.754 -10.232 2.576 1.00 1.02 C ATOM 118 NH1 ARG A 8 -2.467 -9.894 3.829 1.00 1.96 N ATOM 119 NH2 ARG A 8 -2.348 -11.407 2.103 1.00 1.11 N ATOM 0 H ARG A 8 -7.624 -5.848 1.555 1.00 0.26 H new ATOM 0 HA ARG A 8 -7.490 -7.485 4.000 1.00 0.32 H new ATOM 0 HB2 ARG A 8 -5.211 -6.003 2.665 1.00 0.40 H new ATOM 0 HB3 ARG A 8 -5.210 -6.343 4.384 1.00 0.40 H new ATOM 0 HG2 ARG A 8 -4.726 -8.537 4.081 1.00 0.53 H new ATOM 0 HG3 ARG A 8 -5.852 -8.707 2.749 1.00 0.53 H new ATOM 0 HD2 ARG A 8 -4.191 -7.513 1.269 1.00 0.54 H new ATOM 0 HD3 ARG A 8 -3.058 -7.517 2.606 1.00 0.54 H new ATOM 0 HE ARG A 8 -3.694 -9.739 0.851 1.00 0.76 H new ATOM 0 HH11 ARG A 8 -2.779 -8.996 4.199 1.00 1.96 H new ATOM 0 HH12 ARG A 8 -1.935 -10.532 4.420 1.00 1.96 H new ATOM 0 HH21 ARG A 8 -2.569 -11.674 1.144 1.00 1.11 H new ATOM 0 HH22 ARG A 8 -1.816 -12.041 2.700 1.00 1.11 H new ATOM 133 N LYS A 9 -7.338 -5.264 5.412 1.00 0.31 N ATOM 134 CA LYS A 9 -7.798 -4.142 6.221 1.00 0.27 C ATOM 135 C LYS A 9 -6.755 -3.030 6.269 1.00 0.23 C ATOM 136 O LYS A 9 -5.582 -3.250 5.953 1.00 0.26 O ATOM 137 CB LYS A 9 -8.071 -4.613 7.654 1.00 0.30 C ATOM 138 CG LYS A 9 -9.104 -5.724 7.787 1.00 1.16 C ATOM 139 CD LYS A 9 -10.527 -5.189 7.804 1.00 0.84 C ATOM 140 CE LYS A 9 -11.038 -4.859 6.413 1.00 0.59 C ATOM 141 NZ LYS A 9 -12.431 -4.344 6.453 1.00 0.73 N ATOM 0 H LYS A 9 -6.802 -5.959 5.932 1.00 0.31 H new ATOM 0 HA LYS A 9 -8.709 -3.756 5.765 1.00 0.27 H new ATOM 0 HB2 LYS A 9 -7.133 -4.957 8.091 1.00 0.30 H new ATOM 0 HB3 LYS A 9 -8.403 -3.758 8.243 1.00 0.30 H new ATOM 0 HG2 LYS A 9 -8.991 -6.423 6.959 1.00 1.16 H new ATOM 0 HG3 LYS A 9 -8.917 -6.283 8.704 1.00 1.16 H new ATOM 0 HD2 LYS A 9 -11.184 -5.927 8.264 1.00 0.84 H new ATOM 0 HD3 LYS A 9 -10.568 -4.294 8.425 1.00 0.84 H new ATOM 0 HE2 LYS A 9 -10.387 -4.116 5.952 1.00 0.59 H new ATOM 0 HE3 LYS A 9 -10.996 -5.751 5.788 1.00 0.59 H new ATOM 0 HZ1 LYS A 9 -12.910 -4.569 5.558 1.00 0.73 H new ATOM 0 HZ2 LYS A 9 -12.943 -4.789 7.241 1.00 0.73 H new ATOM 0 HZ3 LYS A 9 -12.416 -3.313 6.588 1.00 0.73 H new ATOM 155 N VAL A 10 -7.189 -1.837 6.662 1.00 0.20 N ATOM 156 CA VAL A 10 -6.272 -0.760 6.979 1.00 0.21 C ATOM 157 C VAL A 10 -5.834 -0.923 8.442 1.00 0.24 C ATOM 158 O VAL A 10 -5.498 -2.031 8.875 1.00 0.44 O ATOM 159 CB VAL A 10 -6.919 0.639 6.770 1.00 0.20 C ATOM 160 CG1 VAL A 10 -5.867 1.677 6.411 1.00 0.22 C ATOM 161 CG2 VAL A 10 -8.020 0.602 5.719 1.00 0.20 C ATOM 0 H VAL A 10 -8.174 -1.596 6.767 1.00 0.20 H new ATOM 0 HA VAL A 10 -5.416 -0.816 6.307 1.00 0.21 H new ATOM 0 HB VAL A 10 -7.378 0.927 7.716 1.00 0.20 H new ATOM 0 HG11 VAL A 10 -6.345 2.646 6.270 1.00 0.22 H new ATOM 0 HG12 VAL A 10 -5.135 1.747 7.216 1.00 0.22 H new ATOM 0 HG13 VAL A 10 -5.365 1.383 5.489 1.00 0.22 H new ATOM 0 HG21 VAL A 10 -8.446 1.599 5.603 1.00 0.20 H new ATOM 0 HG22 VAL A 10 -7.603 0.272 4.767 1.00 0.20 H new ATOM 0 HG23 VAL A 10 -8.800 -0.092 6.033 1.00 0.20 H new ATOM 171 N ASP A 11 -5.857 0.160 9.208 1.00 0.24 N ATOM 172 CA ASP A 11 -5.559 0.092 10.636 1.00 0.23 C ATOM 173 C ASP A 11 -6.060 1.350 11.324 1.00 0.24 C ATOM 174 O ASP A 11 -6.996 1.300 12.118 1.00 0.24 O ATOM 175 CB ASP A 11 -4.056 -0.075 10.874 1.00 0.40 C ATOM 176 CG ASP A 11 -3.740 -0.479 12.301 1.00 0.61 C ATOM 177 OD1 ASP A 11 -4.528 -1.245 12.895 1.00 1.15 O ATOM 178 OD2 ASP A 11 -2.687 -0.051 12.820 1.00 1.32 O ATOM 0 H ASP A 11 -6.078 1.095 8.867 1.00 0.24 H new ATOM 0 HA ASP A 11 -6.067 -0.777 11.055 1.00 0.23 H new ATOM 0 HB2 ASP A 11 -3.664 -0.828 10.190 1.00 0.40 H new ATOM 0 HB3 ASP A 11 -3.548 0.861 10.643 1.00 0.40 H new ATOM 183 N GLU A 12 -5.434 2.480 11.015 1.00 0.30 N ATOM 184 CA GLU A 12 -5.958 3.772 11.432 1.00 0.33 C ATOM 185 C GLU A 12 -5.783 4.825 10.342 1.00 0.31 C ATOM 186 O GLU A 12 -6.600 4.919 9.425 1.00 0.35 O ATOM 187 CB GLU A 12 -5.351 4.261 12.752 1.00 0.39 C ATOM 188 CG GLU A 12 -3.881 3.959 12.926 1.00 0.43 C ATOM 189 CD GLU A 12 -3.313 4.621 14.158 1.00 0.56 C ATOM 190 OE1 GLU A 12 -3.407 4.035 15.255 1.00 1.08 O ATOM 191 OE2 GLU A 12 -2.786 5.745 14.040 1.00 1.39 O ATOM 0 H GLU A 12 -4.567 2.526 10.480 1.00 0.30 H new ATOM 0 HA GLU A 12 -7.024 3.623 11.603 1.00 0.33 H new ATOM 0 HB2 GLU A 12 -5.497 5.339 12.825 1.00 0.39 H new ATOM 0 HB3 GLU A 12 -5.900 3.808 13.578 1.00 0.39 H new ATOM 0 HG2 GLU A 12 -3.737 2.881 12.994 1.00 0.43 H new ATOM 0 HG3 GLU A 12 -3.334 4.298 12.046 1.00 0.43 H new ATOM 198 N LEU A 13 -4.692 5.576 10.426 1.00 0.31 N ATOM 199 CA LEU A 13 -4.469 6.719 9.551 1.00 0.32 C ATOM 200 C LEU A 13 -4.286 6.307 8.089 1.00 0.35 C ATOM 201 O LEU A 13 -4.610 7.073 7.181 1.00 0.60 O ATOM 202 CB LEU A 13 -3.262 7.541 10.029 1.00 0.37 C ATOM 203 CG LEU A 13 -1.871 6.938 9.772 1.00 0.43 C ATOM 204 CD1 LEU A 13 -0.795 7.973 10.059 1.00 0.54 C ATOM 205 CD2 LEU A 13 -1.636 5.696 10.622 1.00 0.43 C ATOM 0 H LEU A 13 -3.942 5.411 11.098 1.00 0.31 H new ATOM 0 HA LEU A 13 -5.365 7.337 9.603 1.00 0.32 H new ATOM 0 HB2 LEU A 13 -3.304 8.518 9.548 1.00 0.37 H new ATOM 0 HB3 LEU A 13 -3.367 7.709 11.101 1.00 0.37 H new ATOM 0 HG LEU A 13 -1.822 6.643 8.724 1.00 0.43 H new ATOM 0 HD11 LEU A 13 0.187 7.538 9.874 1.00 0.54 H new ATOM 0 HD12 LEU A 13 -0.937 8.836 9.408 1.00 0.54 H new ATOM 0 HD13 LEU A 13 -0.862 8.289 11.100 1.00 0.54 H new ATOM 0 HD21 LEU A 13 -0.643 5.296 10.415 1.00 0.43 H new ATOM 0 HD22 LEU A 13 -1.709 5.958 11.677 1.00 0.43 H new ATOM 0 HD23 LEU A 13 -2.388 4.944 10.383 1.00 0.43 H new ATOM 217 N GLY A 14 -3.783 5.098 7.858 1.00 0.20 N ATOM 218 CA GLY A 14 -3.578 4.652 6.494 1.00 0.24 C ATOM 219 C GLY A 14 -2.716 3.414 6.370 1.00 0.22 C ATOM 220 O GLY A 14 -2.548 2.900 5.274 1.00 0.34 O ATOM 0 H GLY A 14 -3.517 4.428 8.580 1.00 0.20 H new ATOM 0 HA2 GLY A 14 -4.548 4.453 6.039 1.00 0.24 H new ATOM 0 HA3 GLY A 14 -3.118 5.460 5.924 1.00 0.24 H new ATOM 224 N ARG A 15 -2.151 2.934 7.470 1.00 0.15 N ATOM 225 CA ARG A 15 -1.333 1.722 7.421 1.00 0.17 C ATOM 226 C ARG A 15 -2.119 0.534 6.888 1.00 0.16 C ATOM 227 O ARG A 15 -2.959 -0.026 7.586 1.00 0.18 O ATOM 228 CB ARG A 15 -0.779 1.372 8.793 1.00 0.20 C ATOM 229 CG ARG A 15 0.622 1.875 9.020 1.00 0.23 C ATOM 230 CD ARG A 15 0.977 1.778 10.486 1.00 0.29 C ATOM 231 NE ARG A 15 2.117 2.605 10.864 1.00 0.59 N ATOM 232 CZ ARG A 15 2.544 2.725 12.120 1.00 0.78 C ATOM 233 NH1 ARG A 15 1.975 2.010 13.081 1.00 0.82 N ATOM 234 NH2 ARG A 15 3.549 3.540 12.410 1.00 1.26 N ATOM 0 H ARG A 15 -2.240 3.355 8.395 1.00 0.15 H new ATOM 0 HA ARG A 15 -0.507 1.934 6.742 1.00 0.17 H new ATOM 0 HB2 ARG A 15 -1.435 1.788 9.558 1.00 0.20 H new ATOM 0 HB3 ARG A 15 -0.792 0.289 8.916 1.00 0.20 H new ATOM 0 HG2 ARG A 15 1.327 1.291 8.428 1.00 0.23 H new ATOM 0 HG3 ARG A 15 0.704 2.909 8.685 1.00 0.23 H new ATOM 0 HD2 ARG A 15 0.112 2.071 11.081 1.00 0.29 H new ATOM 0 HD3 ARG A 15 1.195 0.739 10.731 1.00 0.29 H new ATOM 0 HE ARG A 15 2.611 3.116 10.132 1.00 0.59 H new ATOM 0 HH11 ARG A 15 1.213 1.370 12.857 1.00 0.82 H new ATOM 0 HH12 ARG A 15 2.300 2.100 14.044 1.00 0.82 H new ATOM 0 HH21 ARG A 15 3.999 4.079 11.670 1.00 1.26 H new ATOM 0 HH22 ARG A 15 3.872 3.628 13.373 1.00 1.26 H new ATOM 248 N VAL A 16 -1.844 0.169 5.650 1.00 0.16 N ATOM 249 CA VAL A 16 -2.431 -1.022 5.061 1.00 0.16 C ATOM 250 C VAL A 16 -1.449 -2.183 5.204 1.00 0.16 C ATOM 251 O VAL A 16 -0.237 -2.008 5.034 1.00 0.15 O ATOM 252 CB VAL A 16 -2.806 -0.799 3.577 1.00 0.17 C ATOM 253 CG1 VAL A 16 -1.593 -0.391 2.759 1.00 1.04 C ATOM 254 CG2 VAL A 16 -3.454 -2.047 3.000 1.00 0.97 C ATOM 0 H VAL A 16 -1.216 0.681 5.030 1.00 0.16 H new ATOM 0 HA VAL A 16 -3.355 -1.256 5.590 1.00 0.16 H new ATOM 0 HB VAL A 16 -3.527 0.017 3.529 1.00 0.17 H new ATOM 0 HG11 VAL A 16 -1.888 -0.242 1.720 1.00 1.04 H new ATOM 0 HG12 VAL A 16 -1.181 0.537 3.156 1.00 1.04 H new ATOM 0 HG13 VAL A 16 -0.838 -1.175 2.812 1.00 1.04 H new ATOM 0 HG21 VAL A 16 -3.712 -1.873 1.955 1.00 0.97 H new ATOM 0 HG22 VAL A 16 -2.758 -2.883 3.068 1.00 0.97 H new ATOM 0 HG23 VAL A 16 -4.358 -2.281 3.563 1.00 0.97 H new ATOM 264 N VAL A 17 -1.964 -3.352 5.550 1.00 0.17 N ATOM 265 CA VAL A 17 -1.120 -4.502 5.842 1.00 0.18 C ATOM 266 C VAL A 17 -0.625 -5.168 4.556 1.00 0.19 C ATOM 267 O VAL A 17 -1.368 -5.908 3.904 1.00 0.25 O ATOM 268 CB VAL A 17 -1.878 -5.554 6.678 1.00 0.21 C ATOM 269 CG1 VAL A 17 -0.944 -6.673 7.118 1.00 0.23 C ATOM 270 CG2 VAL A 17 -2.557 -4.915 7.877 1.00 0.22 C ATOM 0 H VAL A 17 -2.965 -3.531 5.636 1.00 0.17 H new ATOM 0 HA VAL A 17 -0.268 -4.129 6.411 1.00 0.18 H new ATOM 0 HB VAL A 17 -2.653 -5.987 6.046 1.00 0.21 H new ATOM 0 HG11 VAL A 17 -1.501 -7.402 7.706 1.00 0.23 H new ATOM 0 HG12 VAL A 17 -0.522 -7.161 6.240 1.00 0.23 H new ATOM 0 HG13 VAL A 17 -0.139 -6.258 7.724 1.00 0.23 H new ATOM 0 HG21 VAL A 17 -3.083 -5.680 8.448 1.00 0.22 H new ATOM 0 HG22 VAL A 17 -1.807 -4.442 8.510 1.00 0.22 H new ATOM 0 HG23 VAL A 17 -3.269 -4.164 7.535 1.00 0.22 H new ATOM 280 N ILE A 18 0.614 -4.881 4.185 1.00 0.17 N ATOM 281 CA ILE A 18 1.269 -5.566 3.080 1.00 0.21 C ATOM 282 C ILE A 18 1.521 -7.024 3.442 1.00 0.17 C ATOM 283 O ILE A 18 2.054 -7.316 4.513 1.00 0.18 O ATOM 284 CB ILE A 18 2.621 -4.913 2.728 1.00 0.30 C ATOM 285 CG1 ILE A 18 2.438 -3.445 2.344 1.00 0.36 C ATOM 286 CG2 ILE A 18 3.310 -5.675 1.608 1.00 0.39 C ATOM 287 CD1 ILE A 18 1.711 -3.231 1.034 1.00 0.62 C ATOM 0 H ILE A 18 1.191 -4.172 4.638 1.00 0.17 H new ATOM 0 HA ILE A 18 0.605 -5.495 2.218 1.00 0.21 H new ATOM 0 HB ILE A 18 3.254 -4.955 3.614 1.00 0.30 H new ATOM 0 HG12 ILE A 18 1.888 -2.939 3.138 1.00 0.36 H new ATOM 0 HG13 ILE A 18 3.418 -2.972 2.284 1.00 0.36 H new ATOM 0 HG21 ILE A 18 4.262 -5.198 1.375 1.00 0.39 H new ATOM 0 HG22 ILE A 18 3.487 -6.703 1.923 1.00 0.39 H new ATOM 0 HG23 ILE A 18 2.676 -5.671 0.722 1.00 0.39 H new ATOM 0 HD11 ILE A 18 1.624 -2.163 0.837 1.00 0.62 H new ATOM 0 HD12 ILE A 18 2.269 -3.705 0.226 1.00 0.62 H new ATOM 0 HD13 ILE A 18 0.716 -3.671 1.094 1.00 0.62 H new ATOM 299 N PRO A 19 1.103 -7.950 2.569 1.00 0.22 N ATOM 300 CA PRO A 19 1.388 -9.379 2.716 1.00 0.24 C ATOM 301 C PRO A 19 2.853 -9.670 3.029 1.00 0.23 C ATOM 302 O PRO A 19 3.758 -9.022 2.490 1.00 0.20 O ATOM 303 CB PRO A 19 1.044 -9.931 1.347 1.00 0.28 C ATOM 304 CG PRO A 19 -0.046 -9.051 0.861 1.00 0.31 C ATOM 305 CD PRO A 19 0.279 -7.679 1.378 1.00 0.29 C ATOM 0 HA PRO A 19 0.830 -9.815 3.544 1.00 0.24 H new ATOM 0 HB2 PRO A 19 1.905 -9.904 0.679 1.00 0.28 H new ATOM 0 HB3 PRO A 19 0.720 -10.970 1.407 1.00 0.28 H new ATOM 0 HG2 PRO A 19 -0.098 -9.057 -0.228 1.00 0.31 H new ATOM 0 HG3 PRO A 19 -1.015 -9.389 1.228 1.00 0.31 H new ATOM 0 HD2 PRO A 19 0.822 -7.089 0.639 1.00 0.29 H new ATOM 0 HD3 PRO A 19 -0.622 -7.121 1.631 1.00 0.29 H new ATOM 313 N ILE A 20 3.084 -10.655 3.888 1.00 0.28 N ATOM 314 CA ILE A 20 4.437 -11.067 4.237 1.00 0.30 C ATOM 315 C ILE A 20 5.205 -11.520 2.993 1.00 0.29 C ATOM 316 O ILE A 20 6.399 -11.255 2.865 1.00 0.28 O ATOM 317 CB ILE A 20 4.433 -12.192 5.298 1.00 0.37 C ATOM 318 CG1 ILE A 20 5.864 -12.629 5.623 1.00 0.43 C ATOM 319 CG2 ILE A 20 3.602 -13.374 4.823 1.00 0.41 C ATOM 320 CD1 ILE A 20 5.945 -13.706 6.679 1.00 0.86 C ATOM 0 H ILE A 20 2.349 -11.185 4.357 1.00 0.28 H new ATOM 0 HA ILE A 20 4.940 -10.200 4.666 1.00 0.30 H new ATOM 0 HB ILE A 20 3.980 -11.803 6.210 1.00 0.37 H new ATOM 0 HG12 ILE A 20 6.340 -12.990 4.711 1.00 0.43 H new ATOM 0 HG13 ILE A 20 6.432 -11.761 5.957 1.00 0.43 H new ATOM 0 HG21 ILE A 20 3.612 -14.155 5.584 1.00 0.41 H new ATOM 0 HG22 ILE A 20 2.576 -13.051 4.648 1.00 0.41 H new ATOM 0 HG23 ILE A 20 4.022 -13.765 3.896 1.00 0.41 H new ATOM 0 HD11 ILE A 20 6.989 -13.964 6.856 1.00 0.86 H new ATOM 0 HD12 ILE A 20 5.499 -13.342 7.605 1.00 0.86 H new ATOM 0 HD13 ILE A 20 5.405 -14.590 6.339 1.00 0.86 H new ATOM 332 N GLU A 21 4.503 -12.143 2.053 1.00 0.32 N ATOM 333 CA GLU A 21 5.122 -12.617 0.822 1.00 0.33 C ATOM 334 C GLU A 21 5.505 -11.441 -0.061 1.00 0.29 C ATOM 335 O GLU A 21 6.479 -11.494 -0.813 1.00 0.29 O ATOM 336 CB GLU A 21 4.160 -13.524 0.061 1.00 0.39 C ATOM 337 CG GLU A 21 2.813 -12.871 -0.202 1.00 0.50 C ATOM 338 CD GLU A 21 1.736 -13.398 0.721 1.00 0.99 C ATOM 339 OE1 GLU A 21 1.702 -12.979 1.900 1.00 1.73 O ATOM 340 OE2 GLU A 21 0.926 -14.235 0.283 1.00 1.49 O ATOM 0 H GLU A 21 3.503 -12.332 2.121 1.00 0.32 H new ATOM 0 HA GLU A 21 6.018 -13.180 1.084 1.00 0.33 H new ATOM 0 HB2 GLU A 21 4.612 -13.808 -0.889 1.00 0.39 H new ATOM 0 HB3 GLU A 21 4.008 -14.442 0.629 1.00 0.39 H new ATOM 0 HG2 GLU A 21 2.903 -11.792 -0.075 1.00 0.50 H new ATOM 0 HG3 GLU A 21 2.521 -13.047 -1.237 1.00 0.50 H new ATOM 347 N LEU A 22 4.769 -10.356 0.086 1.00 0.26 N ATOM 348 CA LEU A 22 4.943 -9.217 -0.779 1.00 0.24 C ATOM 349 C LEU A 22 6.133 -8.410 -0.304 1.00 0.21 C ATOM 350 O LEU A 22 7.028 -8.074 -1.082 1.00 0.22 O ATOM 351 CB LEU A 22 3.684 -8.365 -0.788 1.00 0.24 C ATOM 352 CG LEU A 22 2.469 -8.970 -1.493 1.00 0.31 C ATOM 353 CD1 LEU A 22 1.569 -7.861 -2.009 1.00 0.31 C ATOM 354 CD2 LEU A 22 2.883 -9.922 -2.613 1.00 0.44 C ATOM 0 H LEU A 22 4.047 -10.244 0.797 1.00 0.26 H new ATOM 0 HA LEU A 22 5.126 -9.557 -1.798 1.00 0.24 H new ATOM 0 HB2 LEU A 22 3.409 -8.148 0.244 1.00 0.24 H new ATOM 0 HB3 LEU A 22 3.918 -7.412 -1.263 1.00 0.24 H new ATOM 0 HG LEU A 22 1.910 -9.564 -0.770 1.00 0.31 H new ATOM 0 HD11 LEU A 22 0.705 -8.297 -2.510 1.00 0.31 H new ATOM 0 HD12 LEU A 22 1.232 -7.247 -1.173 1.00 0.31 H new ATOM 0 HD13 LEU A 22 2.123 -7.241 -2.714 1.00 0.31 H new ATOM 0 HD21 LEU A 22 1.993 -10.332 -3.090 1.00 0.44 H new ATOM 0 HD22 LEU A 22 3.474 -9.380 -3.352 1.00 0.44 H new ATOM 0 HD23 LEU A 22 3.479 -10.735 -2.198 1.00 0.44 H new ATOM 366 N ARG A 23 6.180 -8.164 0.995 1.00 0.20 N ATOM 367 CA ARG A 23 7.288 -7.433 1.575 1.00 0.19 C ATOM 368 C ARG A 23 8.549 -8.268 1.412 1.00 0.19 C ATOM 369 O ARG A 23 9.640 -7.741 1.234 1.00 0.20 O ATOM 370 CB ARG A 23 7.034 -7.152 3.054 1.00 0.22 C ATOM 371 CG ARG A 23 6.917 -8.415 3.882 1.00 0.32 C ATOM 372 CD ARG A 23 7.253 -8.159 5.331 1.00 0.63 C ATOM 373 NE ARG A 23 7.491 -9.401 6.065 1.00 0.95 N ATOM 374 CZ ARG A 23 7.493 -9.497 7.394 1.00 1.24 C ATOM 375 NH1 ARG A 23 7.199 -8.439 8.139 1.00 1.52 N ATOM 376 NH2 ARG A 23 7.771 -10.659 7.973 1.00 1.92 N ATOM 0 H ARG A 23 5.467 -8.459 1.662 1.00 0.20 H new ATOM 0 HA ARG A 23 7.401 -6.475 1.067 1.00 0.19 H new ATOM 0 HB2 ARG A 23 7.846 -6.540 3.447 1.00 0.22 H new ATOM 0 HB3 ARG A 23 6.118 -6.570 3.156 1.00 0.22 H new ATOM 0 HG2 ARG A 23 5.903 -8.808 3.806 1.00 0.32 H new ATOM 0 HG3 ARG A 23 7.585 -9.177 3.481 1.00 0.32 H new ATOM 0 HD2 ARG A 23 8.139 -7.526 5.392 1.00 0.63 H new ATOM 0 HD3 ARG A 23 6.437 -7.611 5.801 1.00 0.63 H new ATOM 0 HE ARG A 23 7.667 -10.248 5.525 1.00 0.95 H new ATOM 0 HH11 ARG A 23 6.971 -7.550 7.694 1.00 1.52 H new ATOM 0 HH12 ARG A 23 7.201 -8.515 9.156 1.00 1.52 H new ATOM 0 HH21 ARG A 23 7.983 -11.476 7.401 1.00 1.92 H new ATOM 0 HH22 ARG A 23 7.773 -10.734 8.990 1.00 1.92 H new ATOM 390 N ARG A 24 8.363 -9.585 1.456 1.00 0.21 N ATOM 391 CA ARG A 24 9.436 -10.534 1.225 1.00 0.23 C ATOM 392 C ARG A 24 9.934 -10.427 -0.205 1.00 0.23 C ATOM 393 O ARG A 24 11.128 -10.558 -0.469 1.00 0.23 O ATOM 394 CB ARG A 24 8.946 -11.948 1.540 1.00 0.29 C ATOM 395 CG ARG A 24 9.906 -13.052 1.142 1.00 0.38 C ATOM 396 CD ARG A 24 9.595 -13.601 -0.247 1.00 0.90 C ATOM 397 NE ARG A 24 10.601 -14.564 -0.694 1.00 1.56 N ATOM 398 CZ ARG A 24 10.631 -15.107 -1.912 1.00 2.17 C ATOM 399 NH1 ARG A 24 9.670 -14.849 -2.790 1.00 2.19 N ATOM 400 NH2 ARG A 24 11.617 -15.928 -2.244 1.00 2.94 N ATOM 0 H ARG A 24 7.461 -10.019 1.653 1.00 0.21 H new ATOM 0 HA ARG A 24 10.273 -10.305 1.885 1.00 0.23 H new ATOM 0 HB2 ARG A 24 8.752 -12.021 2.610 1.00 0.29 H new ATOM 0 HB3 ARG A 24 7.995 -12.111 1.032 1.00 0.29 H new ATOM 0 HG2 ARG A 24 10.927 -12.670 1.162 1.00 0.38 H new ATOM 0 HG3 ARG A 24 9.854 -13.860 1.872 1.00 0.38 H new ATOM 0 HD2 ARG A 24 8.615 -14.079 -0.237 1.00 0.90 H new ATOM 0 HD3 ARG A 24 9.541 -12.777 -0.959 1.00 0.90 H new ATOM 0 HE ARG A 24 11.327 -14.838 -0.032 1.00 1.56 H new ATOM 0 HH11 ARG A 24 8.900 -14.231 -2.536 1.00 2.19 H new ATOM 0 HH12 ARG A 24 9.702 -15.269 -3.719 1.00 2.19 H new ATOM 0 HH21 ARG A 24 12.351 -16.143 -1.569 1.00 2.94 H new ATOM 0 HH22 ARG A 24 11.642 -16.345 -3.175 1.00 2.94 H new ATOM 414 N THR A 25 9.016 -10.166 -1.126 1.00 0.24 N ATOM 415 CA THR A 25 9.372 -9.986 -2.531 1.00 0.26 C ATOM 416 C THR A 25 10.245 -8.750 -2.705 1.00 0.23 C ATOM 417 O THR A 25 11.192 -8.741 -3.490 1.00 0.24 O ATOM 418 CB THR A 25 8.110 -9.830 -3.404 1.00 0.29 C ATOM 419 OG1 THR A 25 7.283 -10.993 -3.278 1.00 0.34 O ATOM 420 CG2 THR A 25 8.476 -9.617 -4.863 1.00 0.33 C ATOM 0 H THR A 25 8.020 -10.074 -0.928 1.00 0.24 H new ATOM 0 HA THR A 25 9.921 -10.873 -2.848 1.00 0.26 H new ATOM 0 HB THR A 25 7.563 -8.953 -3.056 1.00 0.29 H new ATOM 0 HG1 THR A 25 6.924 -11.042 -2.367 1.00 0.34 H new ATOM 0 HG21 THR A 25 7.567 -9.510 -5.454 1.00 0.33 H new ATOM 0 HG22 THR A 25 9.079 -8.714 -4.959 1.00 0.33 H new ATOM 0 HG23 THR A 25 9.045 -10.474 -5.224 1.00 0.33 H new ATOM 428 N LEU A 26 9.939 -7.722 -1.929 1.00 0.20 N ATOM 429 CA LEU A 26 10.627 -6.445 -2.047 1.00 0.20 C ATOM 430 C LEU A 26 11.851 -6.432 -1.146 1.00 0.20 C ATOM 431 O LEU A 26 12.733 -5.584 -1.279 1.00 0.22 O ATOM 432 CB LEU A 26 9.696 -5.305 -1.638 1.00 0.20 C ATOM 433 CG LEU A 26 8.206 -5.562 -1.865 1.00 0.21 C ATOM 434 CD1 LEU A 26 7.381 -4.414 -1.321 1.00 0.22 C ATOM 435 CD2 LEU A 26 7.899 -5.807 -3.341 1.00 0.26 C ATOM 0 H LEU A 26 9.217 -7.747 -1.209 1.00 0.20 H new ATOM 0 HA LEU A 26 10.932 -6.310 -3.085 1.00 0.20 H new ATOM 0 HB2 LEU A 26 9.854 -5.091 -0.581 1.00 0.20 H new ATOM 0 HB3 LEU A 26 9.981 -4.410 -2.190 1.00 0.20 H new ATOM 0 HG LEU A 26 7.935 -6.468 -1.322 1.00 0.21 H new ATOM 0 HD11 LEU A 26 6.323 -4.614 -1.491 1.00 0.22 H new ATOM 0 HD12 LEU A 26 7.563 -4.310 -0.251 1.00 0.22 H new ATOM 0 HD13 LEU A 26 7.662 -3.491 -1.829 1.00 0.22 H new ATOM 0 HD21 LEU A 26 6.831 -5.986 -3.466 1.00 0.26 H new ATOM 0 HD22 LEU A 26 8.191 -4.933 -3.923 1.00 0.26 H new ATOM 0 HD23 LEU A 26 8.456 -6.677 -3.689 1.00 0.26 H new ATOM 447 N GLY A 27 11.899 -7.403 -0.241 1.00 0.20 N ATOM 448 CA GLY A 27 12.914 -7.433 0.790 1.00 0.23 C ATOM 449 C GLY A 27 12.773 -6.285 1.774 1.00 0.24 C ATOM 450 O GLY A 27 13.765 -5.806 2.325 1.00 0.28 O ATOM 0 H GLY A 27 11.240 -8.181 -0.206 1.00 0.20 H new ATOM 0 HA2 GLY A 27 12.854 -8.379 1.328 1.00 0.23 H new ATOM 0 HA3 GLY A 27 13.900 -7.392 0.327 1.00 0.23 H new ATOM 454 N ILE A 28 11.540 -5.837 1.991 1.00 0.24 N ATOM 455 CA ILE A 28 11.274 -4.764 2.939 1.00 0.25 C ATOM 456 C ILE A 28 10.681 -5.303 4.226 1.00 0.22 C ATOM 457 O ILE A 28 10.216 -6.445 4.282 1.00 0.22 O ATOM 458 CB ILE A 28 10.289 -3.711 2.396 1.00 0.31 C ATOM 459 CG1 ILE A 28 8.930 -4.344 2.095 1.00 0.32 C ATOM 460 CG2 ILE A 28 10.852 -3.037 1.162 1.00 0.37 C ATOM 461 CD1 ILE A 28 7.795 -3.346 2.107 1.00 0.43 C ATOM 0 H ILE A 28 10.710 -6.201 1.522 1.00 0.24 H new ATOM 0 HA ILE A 28 12.243 -4.297 3.116 1.00 0.25 H new ATOM 0 HB ILE A 28 10.147 -2.951 3.164 1.00 0.31 H new ATOM 0 HG12 ILE A 28 8.970 -4.828 1.119 1.00 0.32 H new ATOM 0 HG13 ILE A 28 8.728 -5.123 2.830 1.00 0.32 H new ATOM 0 HG21 ILE A 28 10.141 -2.297 0.795 1.00 0.37 H new ATOM 0 HG22 ILE A 28 11.791 -2.544 1.413 1.00 0.37 H new ATOM 0 HG23 ILE A 28 11.030 -3.784 0.389 1.00 0.37 H new ATOM 0 HD11 ILE A 28 6.858 -3.858 1.886 1.00 0.43 H new ATOM 0 HD12 ILE A 28 7.731 -2.880 3.090 1.00 0.43 H new ATOM 0 HD13 ILE A 28 7.976 -2.580 1.353 1.00 0.43 H new ATOM 473 N ALA A 29 10.679 -4.452 5.238 1.00 0.22 N ATOM 474 CA ALA A 29 10.093 -4.757 6.530 1.00 0.23 C ATOM 475 C ALA A 29 10.203 -3.557 7.436 1.00 0.23 C ATOM 476 O ALA A 29 11.148 -2.784 7.325 1.00 0.26 O ATOM 477 CB ALA A 29 10.775 -5.960 7.173 1.00 0.25 C ATOM 0 H ALA A 29 11.089 -3.520 5.184 1.00 0.22 H new ATOM 0 HA ALA A 29 9.042 -5.004 6.380 1.00 0.23 H new ATOM 0 HB1 ALA A 29 10.315 -6.165 8.140 1.00 0.25 H new ATOM 0 HB2 ALA A 29 10.664 -6.830 6.526 1.00 0.25 H new ATOM 0 HB3 ALA A 29 11.834 -5.746 7.313 1.00 0.25 H new ATOM 483 N GLU A 30 9.200 -3.409 8.296 1.00 0.25 N ATOM 484 CA GLU A 30 9.173 -2.428 9.373 1.00 0.28 C ATOM 485 C GLU A 30 9.846 -1.083 9.058 1.00 0.30 C ATOM 486 O GLU A 30 9.204 -0.156 8.584 1.00 0.32 O ATOM 487 CB GLU A 30 9.748 -3.052 10.644 1.00 0.32 C ATOM 488 CG GLU A 30 10.884 -4.035 10.414 1.00 0.35 C ATOM 489 CD GLU A 30 11.325 -4.707 11.694 1.00 0.49 C ATOM 490 OE1 GLU A 30 12.208 -4.156 12.384 1.00 1.10 O ATOM 491 OE2 GLU A 30 10.776 -5.778 12.029 1.00 1.22 O ATOM 0 H GLU A 30 8.359 -3.986 8.261 1.00 0.25 H new ATOM 0 HA GLU A 30 8.124 -2.168 9.515 1.00 0.28 H new ATOM 0 HB2 GLU A 30 10.104 -2.253 11.295 1.00 0.32 H new ATOM 0 HB3 GLU A 30 8.946 -3.564 11.176 1.00 0.32 H new ATOM 0 HG2 GLU A 30 10.567 -4.793 9.698 1.00 0.35 H new ATOM 0 HG3 GLU A 30 11.731 -3.512 9.970 1.00 0.35 H new ATOM 498 N LYS A 31 11.130 -0.976 9.333 1.00 0.32 N ATOM 499 CA LYS A 31 11.830 0.295 9.232 1.00 0.38 C ATOM 500 C LYS A 31 12.239 0.649 7.798 1.00 0.35 C ATOM 501 O LYS A 31 12.908 1.661 7.579 1.00 0.40 O ATOM 502 CB LYS A 31 13.046 0.272 10.137 1.00 0.47 C ATOM 503 CG LYS A 31 12.708 -0.015 11.591 1.00 0.57 C ATOM 504 CD LYS A 31 11.836 1.085 12.172 1.00 0.67 C ATOM 505 CE LYS A 31 10.364 0.697 12.197 1.00 0.67 C ATOM 506 NZ LYS A 31 9.515 1.777 12.764 1.00 0.85 N ATOM 0 H LYS A 31 11.715 -1.757 9.630 1.00 0.32 H new ATOM 0 HA LYS A 31 11.136 1.073 9.550 1.00 0.38 H new ATOM 0 HB2 LYS A 31 13.744 -0.484 9.777 1.00 0.47 H new ATOM 0 HB3 LYS A 31 13.556 1.233 10.073 1.00 0.47 H new ATOM 0 HG2 LYS A 31 12.192 -0.972 11.666 1.00 0.57 H new ATOM 0 HG3 LYS A 31 13.626 -0.102 12.172 1.00 0.57 H new ATOM 0 HD2 LYS A 31 12.168 1.313 13.185 1.00 0.67 H new ATOM 0 HD3 LYS A 31 11.961 1.994 11.584 1.00 0.67 H new ATOM 0 HE2 LYS A 31 10.032 0.468 11.184 1.00 0.67 H new ATOM 0 HE3 LYS A 31 10.238 -0.211 12.787 1.00 0.67 H new ATOM 0 HZ1 LYS A 31 8.513 1.516 12.670 1.00 0.85 H new ATOM 0 HZ2 LYS A 31 9.746 1.908 13.769 1.00 0.85 H new ATOM 0 HZ3 LYS A 31 9.691 2.663 12.250 1.00 0.85 H new ATOM 520 N ASP A 32 11.830 -0.149 6.816 1.00 0.27 N ATOM 521 CA ASP A 32 12.224 0.124 5.438 1.00 0.24 C ATOM 522 C ASP A 32 11.312 1.164 4.824 1.00 0.22 C ATOM 523 O ASP A 32 10.348 1.620 5.444 1.00 0.23 O ATOM 524 CB ASP A 32 12.204 -1.119 4.557 1.00 0.23 C ATOM 525 CG ASP A 32 13.508 -1.315 3.805 1.00 0.55 C ATOM 526 OD1 ASP A 32 13.701 -0.658 2.754 1.00 1.54 O ATOM 527 OD2 ASP A 32 14.341 -2.129 4.253 1.00 0.94 O ATOM 0 H ASP A 32 11.240 -0.971 6.943 1.00 0.27 H new ATOM 0 HA ASP A 32 13.250 0.490 5.484 1.00 0.24 H new ATOM 0 HB2 ASP A 32 12.008 -1.996 5.174 1.00 0.23 H new ATOM 0 HB3 ASP A 32 11.384 -1.042 3.843 1.00 0.23 H new ATOM 532 N ALA A 33 11.626 1.529 3.602 1.00 0.21 N ATOM 533 CA ALA A 33 10.892 2.573 2.915 1.00 0.20 C ATOM 534 C ALA A 33 10.312 2.094 1.595 1.00 0.20 C ATOM 535 O ALA A 33 10.904 1.264 0.896 1.00 0.21 O ATOM 536 CB ALA A 33 11.798 3.770 2.689 1.00 0.23 C ATOM 0 H ALA A 33 12.386 1.119 3.060 1.00 0.21 H new ATOM 0 HA ALA A 33 10.052 2.861 3.548 1.00 0.20 H new ATOM 0 HB1 ALA A 33 11.244 4.553 2.172 1.00 0.23 H new ATOM 0 HB2 ALA A 33 12.149 4.147 3.650 1.00 0.23 H new ATOM 0 HB3 ALA A 33 12.653 3.470 2.083 1.00 0.23 H new ATOM 542 N LEU A 34 9.150 2.632 1.265 1.00 0.20 N ATOM 543 CA LEU A 34 8.482 2.345 0.014 1.00 0.20 C ATOM 544 C LEU A 34 8.280 3.644 -0.741 1.00 0.20 C ATOM 545 O LEU A 34 8.158 4.711 -0.136 1.00 0.22 O ATOM 546 CB LEU A 34 7.121 1.678 0.244 1.00 0.23 C ATOM 547 CG LEU A 34 7.151 0.257 0.810 1.00 0.46 C ATOM 548 CD1 LEU A 34 7.422 0.274 2.304 1.00 1.15 C ATOM 549 CD2 LEU A 34 5.840 -0.451 0.512 1.00 0.67 C ATOM 0 H LEU A 34 8.643 3.284 1.864 1.00 0.20 H new ATOM 0 HA LEU A 34 9.103 1.657 -0.559 1.00 0.20 H new ATOM 0 HB2 LEU A 34 6.543 2.305 0.923 1.00 0.23 H new ATOM 0 HB3 LEU A 34 6.585 1.657 -0.705 1.00 0.23 H new ATOM 0 HG LEU A 34 7.962 -0.289 0.329 1.00 0.46 H new ATOM 0 HD11 LEU A 34 7.438 -0.748 2.682 1.00 1.15 H new ATOM 0 HD12 LEU A 34 8.386 0.747 2.494 1.00 1.15 H new ATOM 0 HD13 LEU A 34 6.637 0.836 2.810 1.00 1.15 H new ATOM 0 HD21 LEU A 34 5.872 -1.462 0.919 1.00 0.67 H new ATOM 0 HD22 LEU A 34 5.017 0.099 0.969 1.00 0.67 H new ATOM 0 HD23 LEU A 34 5.689 -0.499 -0.566 1.00 0.67 H new ATOM 561 N GLU A 35 8.243 3.550 -2.050 1.00 0.19 N ATOM 562 CA GLU A 35 8.034 4.699 -2.891 1.00 0.21 C ATOM 563 C GLU A 35 6.634 4.624 -3.496 1.00 0.20 C ATOM 564 O GLU A 35 6.347 3.784 -4.357 1.00 0.21 O ATOM 565 CB GLU A 35 9.112 4.765 -3.972 1.00 0.25 C ATOM 566 CG GLU A 35 9.469 6.184 -4.370 1.00 0.59 C ATOM 567 CD GLU A 35 10.657 6.252 -5.307 1.00 0.56 C ATOM 568 OE1 GLU A 35 10.503 5.906 -6.496 1.00 1.28 O ATOM 569 OE2 GLU A 35 11.752 6.659 -4.859 1.00 1.19 O ATOM 0 H GLU A 35 8.357 2.674 -2.559 1.00 0.19 H new ATOM 0 HA GLU A 35 8.109 5.613 -2.301 1.00 0.21 H new ATOM 0 HB2 GLU A 35 10.008 4.258 -3.614 1.00 0.25 H new ATOM 0 HB3 GLU A 35 8.769 4.222 -4.853 1.00 0.25 H new ATOM 0 HG2 GLU A 35 8.608 6.649 -4.849 1.00 0.59 H new ATOM 0 HG3 GLU A 35 9.686 6.764 -3.473 1.00 0.59 H new ATOM 576 N ILE A 36 5.759 5.473 -2.979 1.00 0.21 N ATOM 577 CA ILE A 36 4.354 5.488 -3.353 1.00 0.23 C ATOM 578 C ILE A 36 4.085 6.421 -4.535 1.00 0.25 C ATOM 579 O ILE A 36 4.452 7.597 -4.525 1.00 0.27 O ATOM 580 CB ILE A 36 3.459 5.908 -2.153 1.00 0.26 C ATOM 581 CG1 ILE A 36 3.288 4.762 -1.150 1.00 0.25 C ATOM 582 CG2 ILE A 36 2.096 6.400 -2.617 1.00 0.29 C ATOM 583 CD1 ILE A 36 4.566 4.372 -0.448 1.00 0.25 C ATOM 0 H ILE A 36 6.006 6.176 -2.283 1.00 0.21 H new ATOM 0 HA ILE A 36 4.103 4.471 -3.653 1.00 0.23 H new ATOM 0 HB ILE A 36 3.970 6.731 -1.653 1.00 0.26 H new ATOM 0 HG12 ILE A 36 2.548 5.052 -0.404 1.00 0.25 H new ATOM 0 HG13 ILE A 36 2.890 3.891 -1.671 1.00 0.25 H new ATOM 0 HG21 ILE A 36 1.498 6.685 -1.751 1.00 0.29 H new ATOM 0 HG22 ILE A 36 2.224 7.264 -3.270 1.00 0.29 H new ATOM 0 HG23 ILE A 36 1.589 5.605 -3.163 1.00 0.29 H new ATOM 0 HD11 ILE A 36 4.366 3.555 0.246 1.00 0.25 H new ATOM 0 HD12 ILE A 36 5.302 4.050 -1.185 1.00 0.25 H new ATOM 0 HD13 ILE A 36 4.955 5.229 0.103 1.00 0.25 H new ATOM 595 N TYR A 37 3.450 5.867 -5.547 1.00 0.25 N ATOM 596 CA TYR A 37 2.938 6.606 -6.681 1.00 0.24 C ATOM 597 C TYR A 37 1.419 6.408 -6.731 1.00 0.19 C ATOM 598 O TYR A 37 0.903 5.468 -6.136 1.00 0.22 O ATOM 599 CB TYR A 37 3.647 6.120 -7.957 1.00 0.31 C ATOM 600 CG TYR A 37 2.895 6.313 -9.261 1.00 1.10 C ATOM 601 CD1 TYR A 37 2.833 7.554 -9.878 1.00 1.91 C ATOM 602 CD2 TYR A 37 2.273 5.238 -9.888 1.00 2.03 C ATOM 603 CE1 TYR A 37 2.173 7.721 -11.079 1.00 2.86 C ATOM 604 CE2 TYR A 37 1.606 5.400 -11.089 1.00 2.97 C ATOM 605 CZ TYR A 37 1.560 6.643 -11.681 1.00 3.23 C ATOM 606 OH TYR A 37 0.909 6.808 -12.885 1.00 4.30 O ATOM 0 H TYR A 37 3.271 4.864 -5.604 1.00 0.25 H new ATOM 0 HA TYR A 37 3.135 7.674 -6.593 1.00 0.24 H new ATOM 0 HB2 TYR A 37 4.604 6.637 -8.034 1.00 0.31 H new ATOM 0 HB3 TYR A 37 3.866 5.058 -7.843 1.00 0.31 H new ATOM 0 HD1 TYR A 37 3.309 8.404 -9.411 1.00 1.91 H new ATOM 0 HD2 TYR A 37 2.312 4.261 -9.429 1.00 2.03 H new ATOM 0 HE1 TYR A 37 2.137 8.694 -11.546 1.00 2.86 H new ATOM 0 HE2 TYR A 37 1.124 4.556 -11.560 1.00 2.97 H new ATOM 0 HH TYR A 37 0.532 5.951 -13.173 1.00 4.30 H new ATOM 616 N VAL A 38 0.699 7.283 -7.408 1.00 0.21 N ATOM 617 CA VAL A 38 -0.756 7.198 -7.416 1.00 0.19 C ATOM 618 C VAL A 38 -1.277 7.009 -8.834 1.00 0.20 C ATOM 619 O VAL A 38 -0.720 7.555 -9.783 1.00 0.25 O ATOM 620 CB VAL A 38 -1.408 8.444 -6.770 1.00 0.21 C ATOM 621 CG1 VAL A 38 -1.182 9.697 -7.603 1.00 0.26 C ATOM 622 CG2 VAL A 38 -2.889 8.204 -6.537 1.00 0.18 C ATOM 0 H VAL A 38 1.088 8.052 -7.954 1.00 0.21 H new ATOM 0 HA VAL A 38 -1.032 6.329 -6.818 1.00 0.19 H new ATOM 0 HB VAL A 38 -0.926 8.610 -5.806 1.00 0.21 H new ATOM 0 HG11 VAL A 38 -1.655 10.549 -7.115 1.00 0.26 H new ATOM 0 HG12 VAL A 38 -0.112 9.882 -7.699 1.00 0.26 H new ATOM 0 HG13 VAL A 38 -1.616 9.559 -8.593 1.00 0.26 H new ATOM 0 HG21 VAL A 38 -3.334 9.089 -6.082 1.00 0.18 H new ATOM 0 HG22 VAL A 38 -3.379 8.000 -7.489 1.00 0.18 H new ATOM 0 HG23 VAL A 38 -3.019 7.350 -5.872 1.00 0.18 H new ATOM 632 N ASP A 39 -2.328 6.214 -8.975 1.00 0.20 N ATOM 633 CA ASP A 39 -2.924 5.982 -10.280 1.00 0.24 C ATOM 634 C ASP A 39 -4.439 6.082 -10.203 1.00 0.26 C ATOM 635 O ASP A 39 -5.140 5.077 -10.072 1.00 0.30 O ATOM 636 CB ASP A 39 -2.501 4.629 -10.855 1.00 0.27 C ATOM 637 CG ASP A 39 -2.924 4.469 -12.303 1.00 0.40 C ATOM 638 OD1 ASP A 39 -2.197 4.946 -13.198 1.00 1.07 O ATOM 639 OD2 ASP A 39 -3.985 3.860 -12.556 1.00 1.15 O ATOM 0 H ASP A 39 -2.783 5.722 -8.206 1.00 0.20 H new ATOM 0 HA ASP A 39 -2.559 6.757 -10.954 1.00 0.24 H new ATOM 0 HB2 ASP A 39 -1.418 4.526 -10.780 1.00 0.27 H new ATOM 0 HB3 ASP A 39 -2.939 3.829 -10.259 1.00 0.27 H new ATOM 644 N ASP A 40 -4.914 7.321 -10.255 1.00 0.32 N ATOM 645 CA ASP A 40 -6.342 7.653 -10.231 1.00 0.39 C ATOM 646 C ASP A 40 -7.057 7.079 -9.015 1.00 0.34 C ATOM 647 O ASP A 40 -7.127 7.709 -7.960 1.00 0.41 O ATOM 648 CB ASP A 40 -7.053 7.167 -11.492 1.00 0.54 C ATOM 649 CG ASP A 40 -8.371 7.890 -11.706 1.00 0.97 C ATOM 650 OD1 ASP A 40 -8.354 9.129 -11.865 1.00 1.83 O ATOM 651 OD2 ASP A 40 -9.425 7.231 -11.721 1.00 1.41 O ATOM 0 H ASP A 40 -4.310 8.141 -10.316 1.00 0.32 H new ATOM 0 HA ASP A 40 -6.388 8.741 -10.179 1.00 0.39 H new ATOM 0 HB2 ASP A 40 -6.408 7.322 -12.357 1.00 0.54 H new ATOM 0 HB3 ASP A 40 -7.234 6.095 -11.418 1.00 0.54 H new ATOM 656 N GLU A 41 -7.576 5.873 -9.177 1.00 0.38 N ATOM 657 CA GLU A 41 -8.388 5.227 -8.160 1.00 0.49 C ATOM 658 C GLU A 41 -7.514 4.439 -7.212 1.00 0.42 C ATOM 659 O GLU A 41 -7.898 4.152 -6.078 1.00 0.64 O ATOM 660 CB GLU A 41 -9.361 4.249 -8.817 1.00 0.71 C ATOM 661 CG GLU A 41 -10.028 4.782 -10.069 1.00 1.19 C ATOM 662 CD GLU A 41 -10.659 3.682 -10.896 1.00 1.86 C ATOM 663 OE1 GLU A 41 -11.721 3.166 -10.499 1.00 2.54 O ATOM 664 OE2 GLU A 41 -10.089 3.331 -11.953 1.00 2.28 O ATOM 0 H GLU A 41 -7.445 5.313 -10.020 1.00 0.38 H new ATOM 0 HA GLU A 41 -8.929 6.002 -7.617 1.00 0.49 H new ATOM 0 HB2 GLU A 41 -8.825 3.333 -9.066 1.00 0.71 H new ATOM 0 HB3 GLU A 41 -10.132 3.981 -8.095 1.00 0.71 H new ATOM 0 HG2 GLU A 41 -10.792 5.508 -9.790 1.00 1.19 H new ATOM 0 HG3 GLU A 41 -9.291 5.311 -10.674 1.00 1.19 H new ATOM 671 N LYS A 42 -6.338 4.075 -7.693 1.00 0.26 N ATOM 672 CA LYS A 42 -5.525 3.103 -7.002 1.00 0.26 C ATOM 673 C LYS A 42 -4.180 3.673 -6.581 1.00 0.18 C ATOM 674 O LYS A 42 -3.698 4.660 -7.141 1.00 0.18 O ATOM 675 CB LYS A 42 -5.345 1.866 -7.886 1.00 0.39 C ATOM 676 CG LYS A 42 -4.447 2.035 -9.104 1.00 0.78 C ATOM 677 CD LYS A 42 -4.363 0.720 -9.871 1.00 0.87 C ATOM 678 CE LYS A 42 -3.213 0.682 -10.864 1.00 0.55 C ATOM 679 NZ LYS A 42 -3.563 1.294 -12.170 1.00 0.81 N ATOM 0 H LYS A 42 -5.931 4.438 -8.555 1.00 0.26 H new ATOM 0 HA LYS A 42 -6.042 2.820 -6.085 1.00 0.26 H new ATOM 0 HB2 LYS A 42 -4.941 1.062 -7.271 1.00 0.39 H new ATOM 0 HB3 LYS A 42 -6.328 1.543 -8.228 1.00 0.39 H new ATOM 0 HG2 LYS A 42 -4.840 2.819 -9.751 1.00 0.78 H new ATOM 0 HG3 LYS A 42 -3.451 2.349 -8.792 1.00 0.78 H new ATOM 0 HD2 LYS A 42 -4.251 -0.101 -9.162 1.00 0.87 H new ATOM 0 HD3 LYS A 42 -5.300 0.556 -10.403 1.00 0.87 H new ATOM 0 HE2 LYS A 42 -2.355 1.205 -10.441 1.00 0.55 H new ATOM 0 HE3 LYS A 42 -2.909 -0.353 -11.022 1.00 0.55 H new ATOM 0 HZ1 LYS A 42 -2.701 1.411 -12.740 1.00 0.81 H new ATOM 0 HZ2 LYS A 42 -4.231 0.677 -12.675 1.00 0.81 H new ATOM 0 HZ3 LYS A 42 -4.002 2.223 -12.011 1.00 0.81 H new ATOM 693 N ILE A 43 -3.583 3.036 -5.588 1.00 0.16 N ATOM 694 CA ILE A 43 -2.313 3.468 -5.049 1.00 0.15 C ATOM 695 C ILE A 43 -1.234 2.462 -5.420 1.00 0.16 C ATOM 696 O ILE A 43 -1.461 1.252 -5.395 1.00 0.21 O ATOM 697 CB ILE A 43 -2.375 3.611 -3.519 1.00 0.21 C ATOM 698 CG1 ILE A 43 -3.563 4.489 -3.121 1.00 0.27 C ATOM 699 CG2 ILE A 43 -1.077 4.207 -2.998 1.00 0.26 C ATOM 700 CD1 ILE A 43 -3.841 4.492 -1.635 1.00 0.34 C ATOM 0 H ILE A 43 -3.968 2.206 -5.136 1.00 0.16 H new ATOM 0 HA ILE A 43 -2.077 4.444 -5.474 1.00 0.15 H new ATOM 0 HB ILE A 43 -2.508 2.624 -3.076 1.00 0.21 H new ATOM 0 HG12 ILE A 43 -3.375 5.511 -3.449 1.00 0.27 H new ATOM 0 HG13 ILE A 43 -4.452 4.144 -3.648 1.00 0.27 H new ATOM 0 HG21 ILE A 43 -1.131 4.304 -1.914 1.00 0.26 H new ATOM 0 HG22 ILE A 43 -0.245 3.555 -3.263 1.00 0.26 H new ATOM 0 HG23 ILE A 43 -0.923 5.190 -3.443 1.00 0.26 H new ATOM 0 HD11 ILE A 43 -4.696 5.135 -1.426 1.00 0.34 H new ATOM 0 HD12 ILE A 43 -4.061 3.477 -1.304 1.00 0.34 H new ATOM 0 HD13 ILE A 43 -2.967 4.866 -1.102 1.00 0.34 H new ATOM 712 N ILE A 44 -0.074 2.967 -5.782 1.00 0.14 N ATOM 713 CA ILE A 44 1.025 2.128 -6.225 1.00 0.16 C ATOM 714 C ILE A 44 2.203 2.294 -5.284 1.00 0.17 C ATOM 715 O ILE A 44 2.702 3.395 -5.121 1.00 0.20 O ATOM 716 CB ILE A 44 1.484 2.518 -7.648 1.00 0.16 C ATOM 717 CG1 ILE A 44 0.284 2.778 -8.568 1.00 0.17 C ATOM 718 CG2 ILE A 44 2.375 1.432 -8.229 1.00 0.19 C ATOM 719 CD1 ILE A 44 -0.628 1.587 -8.739 1.00 0.18 C ATOM 0 H ILE A 44 0.136 3.965 -5.779 1.00 0.14 H new ATOM 0 HA ILE A 44 0.677 1.095 -6.230 1.00 0.16 H new ATOM 0 HB ILE A 44 2.056 3.443 -7.577 1.00 0.16 H new ATOM 0 HG12 ILE A 44 -0.294 3.611 -8.168 1.00 0.17 H new ATOM 0 HG13 ILE A 44 0.650 3.086 -9.547 1.00 0.17 H new ATOM 0 HG21 ILE A 44 2.692 1.719 -9.232 1.00 0.19 H new ATOM 0 HG22 ILE A 44 3.252 1.303 -7.595 1.00 0.19 H new ATOM 0 HG23 ILE A 44 1.821 0.494 -8.278 1.00 0.19 H new ATOM 0 HD11 ILE A 44 -1.451 1.851 -9.403 1.00 0.18 H new ATOM 0 HD12 ILE A 44 -0.067 0.758 -9.170 1.00 0.18 H new ATOM 0 HD13 ILE A 44 -1.026 1.291 -7.768 1.00 0.18 H new ATOM 731 N LEU A 45 2.654 1.232 -4.651 1.00 0.18 N ATOM 732 CA LEU A 45 3.826 1.352 -3.799 1.00 0.18 C ATOM 733 C LEU A 45 4.856 0.280 -4.100 1.00 0.20 C ATOM 734 O LEU A 45 4.569 -0.915 -4.087 1.00 0.33 O ATOM 735 CB LEU A 45 3.470 1.379 -2.308 1.00 0.36 C ATOM 736 CG LEU A 45 2.168 0.689 -1.904 1.00 0.32 C ATOM 737 CD1 LEU A 45 2.335 -0.818 -1.869 1.00 1.30 C ATOM 738 CD2 LEU A 45 1.702 1.207 -0.554 1.00 1.10 C ATOM 0 H LEU A 45 2.244 0.300 -4.704 1.00 0.18 H new ATOM 0 HA LEU A 45 4.275 2.317 -4.034 1.00 0.18 H new ATOM 0 HB2 LEU A 45 4.287 0.917 -1.754 1.00 0.36 H new ATOM 0 HB3 LEU A 45 3.417 2.420 -1.989 1.00 0.36 H new ATOM 0 HG LEU A 45 1.410 0.921 -2.652 1.00 0.32 H new ATOM 0 HD11 LEU A 45 1.392 -1.282 -1.578 1.00 1.30 H new ATOM 0 HD12 LEU A 45 2.626 -1.175 -2.857 1.00 1.30 H new ATOM 0 HD13 LEU A 45 3.107 -1.082 -1.146 1.00 1.30 H new ATOM 0 HD21 LEU A 45 0.773 0.710 -0.274 1.00 1.10 H new ATOM 0 HD22 LEU A 45 2.464 1.002 0.197 1.00 1.10 H new ATOM 0 HD23 LEU A 45 1.533 2.282 -0.615 1.00 1.10 H new ATOM 750 N LYS A 46 6.055 0.734 -4.404 1.00 0.19 N ATOM 751 CA LYS A 46 7.184 -0.148 -4.618 1.00 0.29 C ATOM 752 C LYS A 46 8.203 0.128 -3.539 1.00 0.32 C ATOM 753 O LYS A 46 8.039 1.061 -2.773 1.00 0.54 O ATOM 754 CB LYS A 46 7.779 0.086 -6.015 1.00 0.38 C ATOM 755 CG LYS A 46 8.834 -0.931 -6.420 1.00 0.85 C ATOM 756 CD LYS A 46 9.220 -0.782 -7.876 1.00 1.00 C ATOM 757 CE LYS A 46 10.028 0.479 -8.113 1.00 1.15 C ATOM 758 NZ LYS A 46 10.476 0.585 -9.526 1.00 1.41 N ATOM 0 H LYS A 46 6.274 1.725 -4.510 1.00 0.19 H new ATOM 0 HA LYS A 46 6.871 -1.191 -4.566 1.00 0.29 H new ATOM 0 HB2 LYS A 46 6.973 0.069 -6.749 1.00 0.38 H new ATOM 0 HB3 LYS A 46 8.219 1.083 -6.048 1.00 0.38 H new ATOM 0 HG2 LYS A 46 9.718 -0.808 -5.794 1.00 0.85 H new ATOM 0 HG3 LYS A 46 8.456 -1.938 -6.244 1.00 0.85 H new ATOM 0 HD2 LYS A 46 9.799 -1.650 -8.190 1.00 1.00 H new ATOM 0 HD3 LYS A 46 8.320 -0.759 -8.491 1.00 1.00 H new ATOM 0 HE2 LYS A 46 9.427 1.351 -7.855 1.00 1.15 H new ATOM 0 HE3 LYS A 46 10.896 0.484 -7.454 1.00 1.15 H new ATOM 0 HZ1 LYS A 46 11.025 1.459 -9.651 1.00 1.41 H new ATOM 0 HZ2 LYS A 46 11.070 -0.235 -9.764 1.00 1.41 H new ATOM 0 HZ3 LYS A 46 9.646 0.605 -10.153 1.00 1.41 H new ATOM 772 N LYS A 47 9.214 -0.699 -3.436 1.00 0.27 N ATOM 773 CA LYS A 47 10.309 -0.414 -2.519 1.00 0.28 C ATOM 774 C LYS A 47 11.022 0.862 -2.958 1.00 0.29 C ATOM 775 O LYS A 47 11.110 1.147 -4.155 1.00 0.34 O ATOM 776 CB LYS A 47 11.310 -1.571 -2.474 1.00 0.39 C ATOM 777 CG LYS A 47 12.355 -1.425 -1.372 1.00 1.26 C ATOM 778 CD LYS A 47 13.458 -2.456 -1.500 1.00 1.27 C ATOM 779 CE LYS A 47 14.176 -2.659 -0.174 1.00 2.37 C ATOM 780 NZ LYS A 47 14.788 -1.406 0.348 1.00 2.68 N ATOM 0 H LYS A 47 9.309 -1.566 -3.965 1.00 0.27 H new ATOM 0 HA LYS A 47 9.893 -0.284 -1.520 1.00 0.28 H new ATOM 0 HB2 LYS A 47 10.768 -2.505 -2.329 1.00 0.39 H new ATOM 0 HB3 LYS A 47 11.816 -1.642 -3.437 1.00 0.39 H new ATOM 0 HG2 LYS A 47 12.787 -0.425 -1.411 1.00 1.26 H new ATOM 0 HG3 LYS A 47 11.874 -1.527 -0.399 1.00 1.26 H new ATOM 0 HD2 LYS A 47 13.037 -3.403 -1.838 1.00 1.27 H new ATOM 0 HD3 LYS A 47 14.172 -2.136 -2.259 1.00 1.27 H new ATOM 0 HE2 LYS A 47 13.470 -3.047 0.561 1.00 2.37 H new ATOM 0 HE3 LYS A 47 14.953 -3.413 -0.298 1.00 2.37 H new ATOM 0 HZ1 LYS A 47 15.711 -1.622 0.775 1.00 2.68 H new ATOM 0 HZ2 LYS A 47 14.917 -0.731 -0.433 1.00 2.68 H new ATOM 0 HZ3 LYS A 47 14.163 -0.988 1.067 1.00 2.68 H new ATOM 794 N TYR A 48 11.512 1.630 -1.993 1.00 0.32 N ATOM 795 CA TYR A 48 12.237 2.859 -2.284 1.00 0.41 C ATOM 796 C TYR A 48 13.488 2.567 -3.113 1.00 0.53 C ATOM 797 O TYR A 48 14.015 1.452 -3.084 1.00 0.60 O ATOM 798 CB TYR A 48 12.603 3.570 -0.974 1.00 0.48 C ATOM 799 CG TYR A 48 13.422 4.827 -1.166 1.00 1.10 C ATOM 800 CD1 TYR A 48 12.884 5.946 -1.792 1.00 2.02 C ATOM 801 CD2 TYR A 48 14.743 4.883 -0.744 1.00 1.68 C ATOM 802 CE1 TYR A 48 13.640 7.086 -1.985 1.00 2.71 C ATOM 803 CE2 TYR A 48 15.504 6.017 -0.939 1.00 2.40 C ATOM 804 CZ TYR A 48 14.950 7.115 -1.558 1.00 2.72 C ATOM 805 OH TYR A 48 15.713 8.241 -1.760 1.00 3.55 O ATOM 0 H TYR A 48 11.420 1.422 -0.999 1.00 0.32 H new ATOM 0 HA TYR A 48 11.595 3.516 -2.871 1.00 0.41 H new ATOM 0 HB2 TYR A 48 11.686 3.823 -0.441 1.00 0.48 H new ATOM 0 HB3 TYR A 48 13.159 2.879 -0.340 1.00 0.48 H new ATOM 0 HD1 TYR A 48 11.859 5.924 -2.133 1.00 2.02 H new ATOM 0 HD2 TYR A 48 15.182 4.026 -0.255 1.00 1.68 H new ATOM 0 HE1 TYR A 48 13.207 7.950 -2.468 1.00 2.71 H new ATOM 0 HE2 TYR A 48 16.531 6.043 -0.607 1.00 2.40 H new ATOM 0 HH TYR A 48 16.612 8.096 -1.399 1.00 3.55 H new ATOM 939 N SER B 3 2.248 11.998 -3.437 1.00 0.46 N ATOM 940 CA SER B 3 2.337 10.711 -4.101 1.00 0.38 C ATOM 941 C SER B 3 3.175 10.834 -5.363 1.00 0.36 C ATOM 942 O SER B 3 3.847 11.843 -5.571 1.00 0.41 O ATOM 943 CB SER B 3 0.939 10.210 -4.459 1.00 0.41 C ATOM 944 OG SER B 3 0.176 9.960 -3.294 1.00 0.44 O ATOM 0 HA SER B 3 2.810 9.999 -3.425 1.00 0.38 H new ATOM 0 HB2 SER B 3 0.432 10.949 -5.079 1.00 0.41 H new ATOM 0 HB3 SER B 3 1.016 9.298 -5.050 1.00 0.41 H new ATOM 0 HG SER B 3 0.427 10.599 -2.595 1.00 0.44 H new ATOM 950 N THR B 4 3.120 9.804 -6.195 1.00 0.35 N ATOM 951 CA THR B 4 3.857 9.774 -7.446 1.00 0.35 C ATOM 952 C THR B 4 5.360 9.821 -7.190 1.00 0.34 C ATOM 953 O THR B 4 6.050 10.778 -7.543 1.00 0.40 O ATOM 954 CB THR B 4 3.419 10.917 -8.384 1.00 0.36 C ATOM 955 OG1 THR B 4 1.991 10.904 -8.514 1.00 0.35 O ATOM 956 CG2 THR B 4 4.053 10.769 -9.757 1.00 0.41 C ATOM 0 H THR B 4 2.563 8.967 -6.020 1.00 0.35 H new ATOM 0 HA THR B 4 3.627 8.833 -7.946 1.00 0.35 H new ATOM 0 HB THR B 4 3.748 11.863 -7.953 1.00 0.36 H new ATOM 0 HG1 THR B 4 1.710 11.631 -9.109 1.00 0.35 H new ATOM 0 HG21 THR B 4 3.727 11.588 -10.398 1.00 0.41 H new ATOM 0 HG22 THR B 4 5.139 10.793 -9.661 1.00 0.41 H new ATOM 0 HG23 THR B 4 3.749 9.820 -10.198 1.00 0.41 H new ATOM 964 N GLY B 5 5.850 8.789 -6.524 1.00 0.30 N ATOM 965 CA GLY B 5 7.261 8.670 -6.277 1.00 0.30 C ATOM 966 C GLY B 5 7.657 9.286 -4.955 1.00 0.29 C ATOM 967 O GLY B 5 8.706 9.917 -4.842 1.00 0.32 O ATOM 0 H GLY B 5 5.285 8.027 -6.149 1.00 0.30 H new ATOM 0 HA2 GLY B 5 7.543 7.617 -6.286 1.00 0.30 H new ATOM 0 HA3 GLY B 5 7.812 9.155 -7.083 1.00 0.30 H new ATOM 971 N ILE B 6 6.808 9.113 -3.951 1.00 0.28 N ATOM 972 CA ILE B 6 7.091 9.646 -2.629 1.00 0.29 C ATOM 973 C ILE B 6 7.420 8.519 -1.657 1.00 0.25 C ATOM 974 O ILE B 6 6.782 7.470 -1.661 1.00 0.24 O ATOM 975 CB ILE B 6 5.930 10.495 -2.073 1.00 0.35 C ATOM 976 CG1 ILE B 6 6.404 11.259 -0.839 1.00 0.42 C ATOM 977 CG2 ILE B 6 4.720 9.632 -1.744 1.00 0.32 C ATOM 978 CD1 ILE B 6 7.433 12.322 -1.154 1.00 0.52 C ATOM 0 H ILE B 6 5.924 8.611 -4.027 1.00 0.28 H new ATOM 0 HA ILE B 6 7.955 10.302 -2.734 1.00 0.29 H new ATOM 0 HB ILE B 6 5.620 11.207 -2.838 1.00 0.35 H new ATOM 0 HG12 ILE B 6 5.545 11.726 -0.357 1.00 0.42 H new ATOM 0 HG13 ILE B 6 6.827 10.554 -0.124 1.00 0.42 H new ATOM 0 HG21 ILE B 6 3.920 10.261 -1.354 1.00 0.32 H new ATOM 0 HG22 ILE B 6 4.377 9.126 -2.647 1.00 0.32 H new ATOM 0 HG23 ILE B 6 4.995 8.890 -0.995 1.00 0.32 H new ATOM 0 HD11 ILE B 6 7.728 12.827 -0.234 1.00 0.52 H new ATOM 0 HD12 ILE B 6 8.308 11.858 -1.609 1.00 0.52 H new ATOM 0 HD13 ILE B 6 7.006 13.048 -1.846 1.00 0.52 H new ATOM 990 N VAL B 7 8.415 8.738 -0.827 1.00 0.25 N ATOM 991 CA VAL B 7 8.893 7.699 0.063 1.00 0.24 C ATOM 992 C VAL B 7 8.243 7.784 1.446 1.00 0.28 C ATOM 993 O VAL B 7 8.109 8.867 2.022 1.00 0.37 O ATOM 994 CB VAL B 7 10.432 7.759 0.200 1.00 0.25 C ATOM 995 CG1 VAL B 7 10.890 9.108 0.748 1.00 0.31 C ATOM 996 CG2 VAL B 7 10.929 6.625 1.075 1.00 0.30 C ATOM 0 H VAL B 7 8.910 9.626 -0.748 1.00 0.25 H new ATOM 0 HA VAL B 7 8.610 6.745 -0.382 1.00 0.24 H new ATOM 0 HB VAL B 7 10.863 7.645 -0.795 1.00 0.25 H new ATOM 0 HG11 VAL B 7 11.977 9.117 0.832 1.00 0.31 H new ATOM 0 HG12 VAL B 7 10.572 9.902 0.073 1.00 0.31 H new ATOM 0 HG13 VAL B 7 10.449 9.270 1.732 1.00 0.31 H new ATOM 0 HG21 VAL B 7 12.014 6.681 1.162 1.00 0.30 H new ATOM 0 HG22 VAL B 7 10.481 6.706 2.065 1.00 0.30 H new ATOM 0 HG23 VAL B 7 10.650 5.671 0.628 1.00 0.30 H new ATOM 1006 N ARG B 8 7.806 6.638 1.954 1.00 0.27 N ATOM 1007 CA ARG B 8 7.326 6.528 3.325 1.00 0.32 C ATOM 1008 C ARG B 8 7.874 5.266 3.973 1.00 0.27 C ATOM 1009 O ARG B 8 8.519 4.454 3.311 1.00 0.26 O ATOM 1010 CB ARG B 8 5.795 6.521 3.401 1.00 0.41 C ATOM 1011 CG ARG B 8 5.163 7.899 3.336 1.00 0.57 C ATOM 1012 CD ARG B 8 4.823 8.311 1.913 1.00 0.57 C ATOM 1013 NE ARG B 8 4.298 9.679 1.846 1.00 0.95 N ATOM 1014 CZ ARG B 8 3.168 10.089 2.436 1.00 0.89 C ATOM 1015 NH1 ARG B 8 2.431 9.243 3.154 1.00 1.74 N ATOM 1016 NH2 ARG B 8 2.770 11.347 2.304 1.00 1.09 N ATOM 0 H ARG B 8 7.775 5.763 1.430 1.00 0.27 H new ATOM 0 HA ARG B 8 7.683 7.406 3.863 1.00 0.32 H new ATOM 0 HB2 ARG B 8 5.405 5.915 2.583 1.00 0.41 H new ATOM 0 HB3 ARG B 8 5.491 6.037 4.329 1.00 0.41 H new ATOM 0 HG2 ARG B 8 4.257 7.910 3.941 1.00 0.57 H new ATOM 0 HG3 ARG B 8 5.845 8.630 3.770 1.00 0.57 H new ATOM 0 HD2 ARG B 8 5.715 8.234 1.291 1.00 0.57 H new ATOM 0 HD3 ARG B 8 4.087 7.620 1.502 1.00 0.57 H new ATOM 0 HE ARG B 8 4.831 10.366 1.313 1.00 0.95 H new ATOM 0 HH11 ARG B 8 2.726 8.272 3.259 1.00 1.74 H new ATOM 0 HH12 ARG B 8 1.572 9.566 3.599 1.00 1.74 H new ATOM 0 HH21 ARG B 8 3.325 12.002 1.753 1.00 1.09 H new ATOM 0 HH22 ARG B 8 1.909 11.659 2.753 1.00 1.09 H new ATOM 1030 N LYS B 9 7.605 5.105 5.257 1.00 0.30 N ATOM 1031 CA LYS B 9 8.112 3.971 6.018 1.00 0.27 C ATOM 1032 C LYS B 9 7.048 2.889 6.128 1.00 0.24 C ATOM 1033 O LYS B 9 5.857 3.159 5.938 1.00 0.26 O ATOM 1034 CB LYS B 9 8.500 4.420 7.432 1.00 0.30 C ATOM 1035 CG LYS B 9 9.468 5.593 7.490 1.00 1.23 C ATOM 1036 CD LYS B 9 10.917 5.142 7.600 1.00 0.97 C ATOM 1037 CE LYS B 9 11.460 4.601 6.287 1.00 0.69 C ATOM 1038 NZ LYS B 9 12.900 4.246 6.399 1.00 0.92 N ATOM 0 H LYS B 9 7.033 5.751 5.801 1.00 0.30 H new ATOM 0 HA LYS B 9 8.985 3.575 5.499 1.00 0.27 H new ATOM 0 HB2 LYS B 9 7.593 4.689 7.973 1.00 0.30 H new ATOM 0 HB3 LYS B 9 8.945 3.574 7.956 1.00 0.30 H new ATOM 0 HG2 LYS B 9 9.347 6.205 6.596 1.00 1.23 H new ATOM 0 HG3 LYS B 9 9.220 6.224 8.344 1.00 1.23 H new ATOM 0 HD2 LYS B 9 11.532 5.981 7.925 1.00 0.97 H new ATOM 0 HD3 LYS B 9 10.997 4.372 8.367 1.00 0.97 H new ATOM 0 HE2 LYS B 9 10.889 3.721 5.991 1.00 0.69 H new ATOM 0 HE3 LYS B 9 11.328 5.346 5.502 1.00 0.69 H new ATOM 0 HZ1 LYS B 9 13.335 4.258 5.454 1.00 0.92 H new ATOM 0 HZ2 LYS B 9 13.381 4.936 7.011 1.00 0.92 H new ATOM 0 HZ3 LYS B 9 12.992 3.295 6.810 1.00 0.92 H new ATOM 1052 N VAL B 10 7.479 1.668 6.426 1.00 0.22 N ATOM 1053 CA VAL B 10 6.563 0.625 6.848 1.00 0.22 C ATOM 1054 C VAL B 10 6.317 0.835 8.343 1.00 0.24 C ATOM 1055 O VAL B 10 6.094 1.967 8.778 1.00 0.39 O ATOM 1056 CB VAL B 10 7.141 -0.797 6.612 1.00 0.23 C ATOM 1057 CG1 VAL B 10 6.032 -1.780 6.275 1.00 0.27 C ATOM 1058 CG2 VAL B 10 8.221 -0.803 5.538 1.00 0.22 C ATOM 0 H VAL B 10 8.457 1.381 6.382 1.00 0.22 H new ATOM 0 HA VAL B 10 5.644 0.690 6.265 1.00 0.22 H new ATOM 0 HB VAL B 10 7.612 -1.115 7.542 1.00 0.23 H new ATOM 0 HG11 VAL B 10 6.460 -2.770 6.114 1.00 0.27 H new ATOM 0 HG12 VAL B 10 5.320 -1.822 7.099 1.00 0.27 H new ATOM 0 HG13 VAL B 10 5.520 -1.454 5.370 1.00 0.27 H new ATOM 0 HG21 VAL B 10 8.597 -1.818 5.406 1.00 0.22 H new ATOM 0 HG22 VAL B 10 7.801 -0.446 4.598 1.00 0.22 H new ATOM 0 HG23 VAL B 10 9.039 -0.149 5.841 1.00 0.22 H new ATOM 1068 N ASP B 11 6.379 -0.238 9.123 1.00 0.23 N ATOM 1069 CA ASP B 11 6.448 -0.119 10.574 1.00 0.31 C ATOM 1070 C ASP B 11 6.560 -1.477 11.220 1.00 0.27 C ATOM 1071 O ASP B 11 7.433 -1.719 12.050 1.00 0.21 O ATOM 1072 CB ASP B 11 5.251 0.598 11.170 1.00 0.64 C ATOM 1073 CG ASP B 11 5.530 1.003 12.604 1.00 0.98 C ATOM 1074 OD1 ASP B 11 6.556 1.688 12.840 1.00 1.66 O ATOM 1075 OD2 ASP B 11 4.735 0.653 13.497 1.00 1.39 O ATOM 0 H ASP B 11 6.383 -1.197 8.776 1.00 0.23 H new ATOM 0 HA ASP B 11 7.338 0.476 10.778 1.00 0.31 H new ATOM 0 HB2 ASP B 11 5.017 1.482 10.576 1.00 0.64 H new ATOM 0 HB3 ASP B 11 4.376 -0.051 11.134 1.00 0.64 H new ATOM 1080 N GLU B 12 5.661 -2.354 10.843 1.00 0.40 N ATOM 1081 CA GLU B 12 5.631 -3.690 11.400 1.00 0.54 C ATOM 1082 C GLU B 12 5.680 -4.752 10.304 1.00 0.46 C ATOM 1083 O GLU B 12 6.569 -4.738 9.449 1.00 0.52 O ATOM 1084 CB GLU B 12 4.372 -3.858 12.257 1.00 0.77 C ATOM 1085 CG GLU B 12 3.132 -3.224 11.643 1.00 0.87 C ATOM 1086 CD GLU B 12 1.896 -3.381 12.508 1.00 1.22 C ATOM 1087 OE1 GLU B 12 1.498 -4.531 12.770 1.00 1.57 O ATOM 1088 OE2 GLU B 12 1.304 -2.355 12.911 1.00 1.91 O ATOM 0 H GLU B 12 4.936 -2.168 10.150 1.00 0.40 H new ATOM 0 HA GLU B 12 6.514 -3.825 12.024 1.00 0.54 H new ATOM 0 HB2 GLU B 12 4.188 -4.921 12.414 1.00 0.77 H new ATOM 0 HB3 GLU B 12 4.548 -3.417 13.238 1.00 0.77 H new ATOM 0 HG2 GLU B 12 3.318 -2.163 11.475 1.00 0.87 H new ATOM 0 HG3 GLU B 12 2.946 -3.674 10.668 1.00 0.87 H new ATOM 1095 N LEU B 13 4.694 -5.643 10.317 1.00 0.39 N ATOM 1096 CA LEU B 13 4.679 -6.808 9.446 1.00 0.35 C ATOM 1097 C LEU B 13 4.439 -6.437 7.981 1.00 0.29 C ATOM 1098 O LEU B 13 4.565 -7.283 7.099 1.00 0.40 O ATOM 1099 CB LEU B 13 3.610 -7.798 9.925 1.00 0.40 C ATOM 1100 CG LEU B 13 2.175 -7.550 9.430 1.00 0.53 C ATOM 1101 CD1 LEU B 13 1.269 -8.702 9.840 1.00 0.64 C ATOM 1102 CD2 LEU B 13 1.620 -6.237 9.965 1.00 0.72 C ATOM 0 H LEU B 13 3.884 -5.576 10.933 1.00 0.39 H new ATOM 0 HA LEU B 13 5.664 -7.272 9.500 1.00 0.35 H new ATOM 0 HB2 LEU B 13 3.909 -8.799 9.616 1.00 0.40 H new ATOM 0 HB3 LEU B 13 3.601 -7.790 11.015 1.00 0.40 H new ATOM 0 HG LEU B 13 2.206 -7.486 8.342 1.00 0.53 H new ATOM 0 HD11 LEU B 13 0.256 -8.513 9.483 1.00 0.64 H new ATOM 0 HD12 LEU B 13 1.640 -9.630 9.404 1.00 0.64 H new ATOM 0 HD13 LEU B 13 1.260 -8.789 10.926 1.00 0.64 H new ATOM 0 HD21 LEU B 13 0.605 -6.094 9.595 1.00 0.72 H new ATOM 0 HD22 LEU B 13 1.609 -6.264 11.055 1.00 0.72 H new ATOM 0 HD23 LEU B 13 2.248 -5.412 9.628 1.00 0.72 H new ATOM 1114 N GLY B 14 4.106 -5.179 7.716 1.00 0.25 N ATOM 1115 CA GLY B 14 3.853 -4.776 6.350 1.00 0.24 C ATOM 1116 C GLY B 14 2.956 -3.574 6.261 1.00 0.22 C ATOM 1117 O GLY B 14 2.767 -3.025 5.189 1.00 0.31 O ATOM 0 H GLY B 14 4.008 -4.441 8.414 1.00 0.25 H new ATOM 0 HA2 GLY B 14 4.800 -4.555 5.858 1.00 0.24 H new ATOM 0 HA3 GLY B 14 3.398 -5.605 5.808 1.00 0.24 H new ATOM 1121 N ARG B 15 2.388 -3.172 7.383 1.00 0.17 N ATOM 1122 CA ARG B 15 1.550 -1.986 7.408 1.00 0.17 C ATOM 1123 C ARG B 15 2.314 -0.750 6.951 1.00 0.17 C ATOM 1124 O ARG B 15 3.094 -0.173 7.708 1.00 0.22 O ATOM 1125 CB ARG B 15 0.969 -1.766 8.796 1.00 0.20 C ATOM 1126 CG ARG B 15 -0.395 -2.387 8.962 1.00 0.23 C ATOM 1127 CD ARG B 15 -0.857 -2.299 10.402 1.00 0.25 C ATOM 1128 NE ARG B 15 -2.069 -3.077 10.651 1.00 0.42 N ATOM 1129 CZ ARG B 15 -2.323 -3.714 11.797 1.00 0.58 C ATOM 1130 NH1 ARG B 15 -1.438 -3.681 12.791 1.00 0.72 N ATOM 1131 NH2 ARG B 15 -3.454 -4.397 11.946 1.00 0.75 N ATOM 0 H ARG B 15 2.490 -3.644 8.282 1.00 0.17 H new ATOM 0 HA ARG B 15 0.731 -2.150 6.708 1.00 0.17 H new ATOM 0 HB2 ARG B 15 1.647 -2.185 9.540 1.00 0.20 H new ATOM 0 HB3 ARG B 15 0.903 -0.696 8.992 1.00 0.20 H new ATOM 0 HG2 ARG B 15 -1.111 -1.881 8.315 1.00 0.23 H new ATOM 0 HG3 ARG B 15 -0.365 -3.431 8.649 1.00 0.23 H new ATOM 0 HD2 ARG B 15 -0.061 -2.653 11.057 1.00 0.25 H new ATOM 0 HD3 ARG B 15 -1.040 -1.255 10.658 1.00 0.25 H new ATOM 0 HE ARG B 15 -2.762 -3.137 9.905 1.00 0.42 H new ATOM 0 HH11 ARG B 15 -0.563 -3.168 12.678 1.00 0.72 H new ATOM 0 HH12 ARG B 15 -1.635 -4.168 13.665 1.00 0.72 H new ATOM 0 HH21 ARG B 15 -4.131 -4.436 11.184 1.00 0.75 H new ATOM 0 HH22 ARG B 15 -3.645 -4.882 12.823 1.00 0.75 H new ATOM 1145 N VAL B 16 2.098 -0.378 5.700 1.00 0.14 N ATOM 1146 CA VAL B 16 2.691 0.823 5.134 1.00 0.14 C ATOM 1147 C VAL B 16 1.704 1.978 5.269 1.00 0.16 C ATOM 1148 O VAL B 16 0.498 1.804 5.073 1.00 0.16 O ATOM 1149 CB VAL B 16 3.096 0.613 3.654 1.00 0.15 C ATOM 1150 CG1 VAL B 16 1.895 0.256 2.795 1.00 1.04 C ATOM 1151 CG2 VAL B 16 3.805 1.848 3.121 1.00 0.96 C ATOM 0 H VAL B 16 1.509 -0.898 5.050 1.00 0.14 H new ATOM 0 HA VAL B 16 3.603 1.058 5.683 1.00 0.14 H new ATOM 0 HB VAL B 16 3.787 -0.228 3.607 1.00 0.15 H new ATOM 0 HG11 VAL B 16 2.215 0.116 1.763 1.00 1.04 H new ATOM 0 HG12 VAL B 16 1.445 -0.666 3.164 1.00 1.04 H new ATOM 0 HG13 VAL B 16 1.162 1.062 2.841 1.00 1.04 H new ATOM 0 HG21 VAL B 16 4.084 1.686 2.080 1.00 0.96 H new ATOM 0 HG22 VAL B 16 3.139 2.708 3.189 1.00 0.96 H new ATOM 0 HG23 VAL B 16 4.701 2.036 3.712 1.00 0.96 H new ATOM 1161 N VAL B 17 2.212 3.141 5.642 1.00 0.17 N ATOM 1162 CA VAL B 17 1.363 4.278 5.954 1.00 0.17 C ATOM 1163 C VAL B 17 0.879 4.985 4.682 1.00 0.18 C ATOM 1164 O VAL B 17 1.629 5.744 4.057 1.00 0.25 O ATOM 1165 CB VAL B 17 2.111 5.294 6.840 1.00 0.20 C ATOM 1166 CG1 VAL B 17 1.195 6.437 7.248 1.00 0.23 C ATOM 1167 CG2 VAL B 17 2.699 4.611 8.063 1.00 0.22 C ATOM 0 H VAL B 17 3.211 3.322 5.736 1.00 0.17 H new ATOM 0 HA VAL B 17 0.498 3.891 6.493 1.00 0.17 H new ATOM 0 HB VAL B 17 2.931 5.712 6.256 1.00 0.20 H new ATOM 0 HG11 VAL B 17 1.746 7.140 7.872 1.00 0.23 H new ATOM 0 HG12 VAL B 17 0.834 6.950 6.357 1.00 0.23 H new ATOM 0 HG13 VAL B 17 0.347 6.042 7.808 1.00 0.23 H new ATOM 0 HG21 VAL B 17 3.222 5.346 8.674 1.00 0.22 H new ATOM 0 HG22 VAL B 17 1.898 4.158 8.647 1.00 0.22 H new ATOM 0 HG23 VAL B 17 3.399 3.838 7.747 1.00 0.22 H new ATOM 1177 N ILE B 18 -0.361 4.715 4.294 1.00 0.16 N ATOM 1178 CA ILE B 18 -0.990 5.406 3.172 1.00 0.21 C ATOM 1179 C ILE B 18 -1.251 6.869 3.523 1.00 0.17 C ATOM 1180 O ILE B 18 -1.760 7.169 4.603 1.00 0.18 O ATOM 1181 CB ILE B 18 -2.328 4.743 2.783 1.00 0.30 C ATOM 1182 CG1 ILE B 18 -2.114 3.284 2.372 1.00 0.34 C ATOM 1183 CG2 ILE B 18 -3.011 5.519 1.668 1.00 0.44 C ATOM 1184 CD1 ILE B 18 -1.323 3.108 1.091 1.00 0.55 C ATOM 0 H ILE B 18 -0.956 4.018 4.742 1.00 0.16 H new ATOM 0 HA ILE B 18 -0.303 5.344 2.328 1.00 0.21 H new ATOM 0 HB ILE B 18 -2.979 4.758 3.657 1.00 0.30 H new ATOM 0 HG12 ILE B 18 -1.598 2.763 3.179 1.00 0.34 H new ATOM 0 HG13 ILE B 18 -3.086 2.805 2.254 1.00 0.34 H new ATOM 0 HG21 ILE B 18 -3.952 5.033 1.410 1.00 0.44 H new ATOM 0 HG22 ILE B 18 -3.208 6.538 2.002 1.00 0.44 H new ATOM 0 HG23 ILE B 18 -2.363 5.543 0.792 1.00 0.44 H new ATOM 0 HD11 ILE B 18 -1.217 2.046 0.872 1.00 0.55 H new ATOM 0 HD12 ILE B 18 -1.847 3.597 0.270 1.00 0.55 H new ATOM 0 HD13 ILE B 18 -0.336 3.554 1.209 1.00 0.55 H new ATOM 1196 N PRO B 19 -0.875 7.796 2.624 1.00 0.20 N ATOM 1197 CA PRO B 19 -1.171 9.223 2.773 1.00 0.22 C ATOM 1198 C PRO B 19 -2.626 9.498 3.136 1.00 0.21 C ATOM 1199 O PRO B 19 -3.543 8.863 2.606 1.00 0.18 O ATOM 1200 CB PRO B 19 -0.885 9.782 1.392 1.00 0.26 C ATOM 1201 CG PRO B 19 0.182 8.900 0.854 1.00 0.28 C ATOM 1202 CD PRO B 19 -0.101 7.525 1.400 1.00 0.27 C ATOM 0 HA PRO B 19 -0.584 9.665 3.578 1.00 0.22 H new ATOM 0 HB2 PRO B 19 -1.774 9.761 0.762 1.00 0.26 H new ATOM 0 HB3 PRO B 19 -0.555 10.820 1.443 1.00 0.26 H new ATOM 0 HG2 PRO B 19 0.173 8.896 -0.236 1.00 0.28 H new ATOM 0 HG3 PRO B 19 1.168 9.247 1.163 1.00 0.28 H new ATOM 0 HD2 PRO B 19 -0.668 6.920 0.692 1.00 0.27 H new ATOM 0 HD3 PRO B 19 0.819 6.982 1.618 1.00 0.27 H new ATOM 1210 N ILE B 20 -2.831 10.463 4.019 1.00 0.25 N ATOM 1211 CA ILE B 20 -4.172 10.875 4.411 1.00 0.26 C ATOM 1212 C ILE B 20 -4.979 11.327 3.190 1.00 0.26 C ATOM 1213 O ILE B 20 -6.173 11.062 3.095 1.00 0.25 O ATOM 1214 CB ILE B 20 -4.121 12.010 5.466 1.00 0.30 C ATOM 1215 CG1 ILE B 20 -5.533 12.500 5.810 1.00 0.31 C ATOM 1216 CG2 ILE B 20 -3.256 13.167 4.976 1.00 0.34 C ATOM 1217 CD1 ILE B 20 -5.561 13.593 6.858 1.00 0.82 C ATOM 0 H ILE B 20 -2.082 10.979 4.481 1.00 0.25 H new ATOM 0 HA ILE B 20 -4.666 10.013 4.858 1.00 0.26 H new ATOM 0 HB ILE B 20 -3.670 11.607 6.373 1.00 0.30 H new ATOM 0 HG12 ILE B 20 -6.011 12.867 4.902 1.00 0.31 H new ATOM 0 HG13 ILE B 20 -6.125 11.655 6.163 1.00 0.31 H new ATOM 0 HG21 ILE B 20 -3.235 13.951 5.733 1.00 0.34 H new ATOM 0 HG22 ILE B 20 -2.242 12.811 4.794 1.00 0.34 H new ATOM 0 HG23 ILE B 20 -3.672 13.566 4.051 1.00 0.34 H new ATOM 0 HD11 ILE B 20 -6.593 13.888 7.049 1.00 0.82 H new ATOM 0 HD12 ILE B 20 -5.113 13.224 7.781 1.00 0.82 H new ATOM 0 HD13 ILE B 20 -4.998 14.455 6.500 1.00 0.82 H new ATOM 1229 N GLU B 21 -4.302 11.958 2.234 1.00 0.28 N ATOM 1230 CA GLU B 21 -4.954 12.465 1.033 1.00 0.30 C ATOM 1231 C GLU B 21 -5.332 11.316 0.105 1.00 0.26 C ATOM 1232 O GLU B 21 -6.279 11.413 -0.680 1.00 0.26 O ATOM 1233 CB GLU B 21 -4.023 13.436 0.312 1.00 0.37 C ATOM 1234 CG GLU B 21 -2.755 12.789 -0.219 1.00 0.42 C ATOM 1235 CD GLU B 21 -1.879 13.772 -0.962 1.00 0.64 C ATOM 1236 OE1 GLU B 21 -1.034 14.423 -0.317 1.00 1.35 O ATOM 1237 OE2 GLU B 21 -2.037 13.904 -2.192 1.00 1.18 O ATOM 0 H GLU B 21 -3.297 12.130 2.270 1.00 0.28 H new ATOM 0 HA GLU B 21 -5.865 12.989 1.322 1.00 0.30 H new ATOM 0 HB2 GLU B 21 -4.562 13.893 -0.518 1.00 0.37 H new ATOM 0 HB3 GLU B 21 -3.751 14.240 0.996 1.00 0.37 H new ATOM 0 HG2 GLU B 21 -2.193 12.360 0.611 1.00 0.42 H new ATOM 0 HG3 GLU B 21 -3.020 11.967 -0.884 1.00 0.42 H new ATOM 1244 N LEU B 22 -4.626 10.204 0.246 1.00 0.24 N ATOM 1245 CA LEU B 22 -4.847 9.067 -0.617 1.00 0.22 C ATOM 1246 C LEU B 22 -6.021 8.266 -0.098 1.00 0.20 C ATOM 1247 O LEU B 22 -6.954 7.957 -0.837 1.00 0.20 O ATOM 1248 CB LEU B 22 -3.599 8.199 -0.693 1.00 0.23 C ATOM 1249 CG LEU B 22 -2.456 8.766 -1.529 1.00 0.28 C ATOM 1250 CD1 LEU B 22 -1.484 7.658 -1.891 1.00 0.30 C ATOM 1251 CD2 LEU B 22 -2.984 9.462 -2.775 1.00 0.33 C ATOM 0 H LEU B 22 -3.899 10.071 0.949 1.00 0.24 H new ATOM 0 HA LEU B 22 -5.070 9.420 -1.624 1.00 0.22 H new ATOM 0 HB2 LEU B 22 -3.235 8.027 0.320 1.00 0.23 H new ATOM 0 HB3 LEU B 22 -3.877 7.227 -1.101 1.00 0.23 H new ATOM 0 HG LEU B 22 -1.927 9.514 -0.938 1.00 0.28 H new ATOM 0 HD11 LEU B 22 -0.670 8.069 -2.488 1.00 0.30 H new ATOM 0 HD12 LEU B 22 -1.079 7.217 -0.980 1.00 0.30 H new ATOM 0 HD13 LEU B 22 -2.004 6.891 -2.465 1.00 0.30 H new ATOM 0 HD21 LEU B 22 -2.148 9.857 -3.353 1.00 0.33 H new ATOM 0 HD22 LEU B 22 -3.540 8.748 -3.383 1.00 0.33 H new ATOM 0 HD23 LEU B 22 -3.642 10.280 -2.483 1.00 0.33 H new ATOM 1263 N ARG B 23 -6.007 7.998 1.202 1.00 0.19 N ATOM 1264 CA ARG B 23 -7.091 7.266 1.825 1.00 0.18 C ATOM 1265 C ARG B 23 -8.355 8.118 1.749 1.00 0.18 C ATOM 1266 O ARG B 23 -9.469 7.603 1.699 1.00 0.19 O ATOM 1267 CB ARG B 23 -6.729 6.905 3.280 1.00 0.21 C ATOM 1268 CG ARG B 23 -6.548 8.098 4.213 1.00 0.27 C ATOM 1269 CD ARG B 23 -7.794 8.334 5.056 1.00 0.64 C ATOM 1270 NE ARG B 23 -7.576 9.322 6.111 1.00 0.66 N ATOM 1271 CZ ARG B 23 -8.442 10.291 6.415 1.00 0.88 C ATOM 1272 NH1 ARG B 23 -9.585 10.409 5.750 1.00 1.48 N ATOM 1273 NH2 ARG B 23 -8.178 11.138 7.399 1.00 1.34 N ATOM 0 H ARG B 23 -5.260 8.277 1.838 1.00 0.19 H new ATOM 0 HA ARG B 23 -7.266 6.327 1.300 1.00 0.18 H new ATOM 0 HB2 ARG B 23 -7.511 6.262 3.684 1.00 0.21 H new ATOM 0 HB3 ARG B 23 -5.808 6.323 3.276 1.00 0.21 H new ATOM 0 HG2 ARG B 23 -5.692 7.926 4.865 1.00 0.27 H new ATOM 0 HG3 ARG B 23 -6.328 8.991 3.627 1.00 0.27 H new ATOM 0 HD2 ARG B 23 -8.607 8.668 4.412 1.00 0.64 H new ATOM 0 HD3 ARG B 23 -8.110 7.392 5.504 1.00 0.64 H new ATOM 0 HE ARG B 23 -6.710 9.268 6.647 1.00 0.66 H new ATOM 0 HH11 ARG B 23 -9.808 9.756 4.999 1.00 1.48 H new ATOM 0 HH12 ARG B 23 -10.240 11.153 5.990 1.00 1.48 H new ATOM 0 HH21 ARG B 23 -7.310 11.051 7.928 1.00 1.34 H new ATOM 0 HH22 ARG B 23 -8.843 11.877 7.628 1.00 1.34 H new ATOM 1287 N ARG B 24 -8.146 9.434 1.724 1.00 0.20 N ATOM 1288 CA ARG B 24 -9.200 10.408 1.470 1.00 0.22 C ATOM 1289 C ARG B 24 -9.790 10.224 0.079 1.00 0.22 C ATOM 1290 O ARG B 24 -11.008 10.191 -0.089 1.00 0.23 O ATOM 1291 CB ARG B 24 -8.619 11.803 1.579 1.00 0.30 C ATOM 1292 CG ARG B 24 -9.568 12.910 1.180 1.00 0.42 C ATOM 1293 CD ARG B 24 -8.817 14.077 0.570 1.00 0.89 C ATOM 1294 NE ARG B 24 -9.634 15.277 0.556 1.00 1.40 N ATOM 1295 CZ ARG B 24 -9.763 16.097 -0.486 1.00 1.96 C ATOM 1296 NH1 ARG B 24 -9.190 15.805 -1.646 1.00 2.14 N ATOM 1297 NH2 ARG B 24 -10.494 17.198 -0.365 1.00 2.77 N ATOM 0 H ARG B 24 -7.230 9.855 1.881 1.00 0.20 H new ATOM 0 HA ARG B 24 -9.992 10.263 2.205 1.00 0.22 H new ATOM 0 HB2 ARG B 24 -8.298 11.970 2.607 1.00 0.30 H new ATOM 0 HB3 ARG B 24 -7.728 11.862 0.953 1.00 0.30 H new ATOM 0 HG2 ARG B 24 -10.297 12.529 0.465 1.00 0.42 H new ATOM 0 HG3 ARG B 24 -10.125 13.248 2.054 1.00 0.42 H new ATOM 0 HD2 ARG B 24 -7.904 14.262 1.137 1.00 0.89 H new ATOM 0 HD3 ARG B 24 -8.516 13.827 -0.447 1.00 0.89 H new ATOM 0 HE ARG B 24 -10.147 15.509 1.406 1.00 1.40 H new ATOM 0 HH11 ARG B 24 -8.646 14.948 -1.745 1.00 2.14 H new ATOM 0 HH12 ARG B 24 -9.293 16.438 -2.439 1.00 2.14 H new ATOM 0 HH21 ARG B 24 -10.952 17.411 0.521 1.00 2.77 H new ATOM 0 HH22 ARG B 24 -10.598 17.831 -1.158 1.00 2.77 H new ATOM 1311 N THR B 25 -8.912 10.101 -0.916 1.00 0.23 N ATOM 1312 CA THR B 25 -9.327 9.894 -2.303 1.00 0.24 C ATOM 1313 C THR B 25 -10.197 8.646 -2.430 1.00 0.22 C ATOM 1314 O THR B 25 -11.179 8.617 -3.178 1.00 0.23 O ATOM 1315 CB THR B 25 -8.094 9.729 -3.219 1.00 0.27 C ATOM 1316 OG1 THR B 25 -7.258 10.896 -3.154 1.00 0.31 O ATOM 1317 CG2 THR B 25 -8.519 9.487 -4.655 1.00 0.29 C ATOM 0 H THR B 25 -7.901 10.142 -0.785 1.00 0.23 H new ATOM 0 HA THR B 25 -9.900 10.770 -2.608 1.00 0.24 H new ATOM 0 HB THR B 25 -7.529 8.865 -2.868 1.00 0.27 H new ATOM 0 HG1 THR B 25 -6.969 11.040 -2.229 1.00 0.31 H new ATOM 0 HG21 THR B 25 -7.635 9.374 -5.282 1.00 0.29 H new ATOM 0 HG22 THR B 25 -9.120 8.579 -4.708 1.00 0.29 H new ATOM 0 HG23 THR B 25 -9.108 10.334 -5.008 1.00 0.29 H new ATOM 1325 N LEU B 26 -9.840 7.625 -1.668 1.00 0.20 N ATOM 1326 CA LEU B 26 -10.500 6.335 -1.769 1.00 0.19 C ATOM 1327 C LEU B 26 -11.740 6.318 -0.892 1.00 0.18 C ATOM 1328 O LEU B 26 -12.657 5.528 -1.104 1.00 0.21 O ATOM 1329 CB LEU B 26 -9.553 5.224 -1.323 1.00 0.19 C ATOM 1330 CG LEU B 26 -8.075 5.454 -1.631 1.00 0.20 C ATOM 1331 CD1 LEU B 26 -7.244 4.298 -1.114 1.00 0.20 C ATOM 1332 CD2 LEU B 26 -7.847 5.677 -3.122 1.00 0.24 C ATOM 0 H LEU B 26 -9.096 7.665 -0.972 1.00 0.20 H new ATOM 0 HA LEU B 26 -10.786 6.170 -2.808 1.00 0.19 H new ATOM 0 HB2 LEU B 26 -9.664 5.086 -0.248 1.00 0.19 H new ATOM 0 HB3 LEU B 26 -9.864 4.293 -1.798 1.00 0.19 H new ATOM 0 HG LEU B 26 -7.756 6.361 -1.117 1.00 0.20 H new ATOM 0 HD11 LEU B 26 -6.193 4.476 -1.341 1.00 0.20 H new ATOM 0 HD12 LEU B 26 -7.373 4.211 -0.035 1.00 0.20 H new ATOM 0 HD13 LEU B 26 -7.567 3.374 -1.594 1.00 0.20 H new ATOM 0 HD21 LEU B 26 -6.785 5.838 -3.308 1.00 0.24 H new ATOM 0 HD22 LEU B 26 -8.184 4.801 -3.677 1.00 0.24 H new ATOM 0 HD23 LEU B 26 -8.409 6.552 -3.449 1.00 0.24 H new ATOM 1344 N GLY B 27 -11.778 7.231 0.067 1.00 0.19 N ATOM 1345 CA GLY B 27 -12.813 7.205 1.077 1.00 0.21 C ATOM 1346 C GLY B 27 -12.661 6.029 2.026 1.00 0.24 C ATOM 1347 O GLY B 27 -13.651 5.477 2.506 1.00 0.34 O ATOM 0 H GLY B 27 -11.106 7.993 0.163 1.00 0.19 H new ATOM 0 HA2 GLY B 27 -12.786 8.134 1.646 1.00 0.21 H new ATOM 0 HA3 GLY B 27 -13.789 7.155 0.593 1.00 0.21 H new ATOM 1351 N ILE B 28 -11.418 5.636 2.289 1.00 0.22 N ATOM 1352 CA ILE B 28 -11.149 4.549 3.217 1.00 0.23 C ATOM 1353 C ILE B 28 -10.489 5.069 4.481 1.00 0.18 C ATOM 1354 O ILE B 28 -10.015 6.206 4.521 1.00 0.17 O ATOM 1355 CB ILE B 28 -10.224 3.473 2.629 1.00 0.31 C ATOM 1356 CG1 ILE B 28 -8.863 4.077 2.287 1.00 0.33 C ATOM 1357 CG2 ILE B 28 -10.855 2.827 1.406 1.00 0.40 C ATOM 1358 CD1 ILE B 28 -7.748 3.058 2.276 1.00 0.47 C ATOM 0 H ILE B 28 -10.586 6.054 1.873 1.00 0.22 H new ATOM 0 HA ILE B 28 -12.121 4.105 3.432 1.00 0.23 H new ATOM 0 HB ILE B 28 -10.077 2.695 3.378 1.00 0.31 H new ATOM 0 HG12 ILE B 28 -8.920 4.555 1.309 1.00 0.33 H new ATOM 0 HG13 ILE B 28 -8.627 4.858 3.010 1.00 0.33 H new ATOM 0 HG21 ILE B 28 -10.182 2.068 1.007 1.00 0.40 H new ATOM 0 HG22 ILE B 28 -11.800 2.362 1.687 1.00 0.40 H new ATOM 0 HG23 ILE B 28 -11.037 3.587 0.646 1.00 0.40 H new ATOM 0 HD11 ILE B 28 -6.808 3.550 2.026 1.00 0.47 H new ATOM 0 HD12 ILE B 28 -7.666 2.597 3.261 1.00 0.47 H new ATOM 0 HD13 ILE B 28 -7.964 2.290 1.533 1.00 0.47 H new ATOM 1370 N ALA B 29 -10.462 4.213 5.492 1.00 0.19 N ATOM 1371 CA ALA B 29 -9.772 4.478 6.746 1.00 0.18 C ATOM 1372 C ALA B 29 -9.898 3.290 7.672 1.00 0.19 C ATOM 1373 O ALA B 29 -10.870 2.545 7.597 1.00 0.21 O ATOM 1374 CB ALA B 29 -10.313 5.730 7.427 1.00 0.22 C ATOM 0 H ALA B 29 -10.924 3.304 5.464 1.00 0.19 H new ATOM 0 HA ALA B 29 -8.720 4.647 6.518 1.00 0.18 H new ATOM 0 HB1 ALA B 29 -9.775 5.898 8.360 1.00 0.22 H new ATOM 0 HB2 ALA B 29 -10.177 6.589 6.770 1.00 0.22 H new ATOM 0 HB3 ALA B 29 -11.374 5.599 7.638 1.00 0.22 H new ATOM 1380 N GLU B 30 -8.888 3.125 8.521 1.00 0.20 N ATOM 1381 CA GLU B 30 -8.858 2.128 9.587 1.00 0.22 C ATOM 1382 C GLU B 30 -9.518 0.780 9.253 1.00 0.24 C ATOM 1383 O GLU B 30 -8.861 -0.139 8.778 1.00 0.25 O ATOM 1384 CB GLU B 30 -9.452 2.720 10.867 1.00 0.26 C ATOM 1385 CG GLU B 30 -10.616 3.671 10.639 1.00 0.28 C ATOM 1386 CD GLU B 30 -11.240 4.141 11.929 1.00 0.43 C ATOM 1387 OE1 GLU B 30 -10.682 5.053 12.572 1.00 1.11 O ATOM 1388 OE2 GLU B 30 -12.298 3.596 12.311 1.00 1.12 O ATOM 0 H GLU B 30 -8.044 3.697 8.486 1.00 0.20 H new ATOM 0 HA GLU B 30 -7.805 1.885 9.726 1.00 0.22 H new ATOM 0 HB2 GLU B 30 -9.785 1.905 11.509 1.00 0.26 H new ATOM 0 HB3 GLU B 30 -8.667 3.250 11.406 1.00 0.26 H new ATOM 0 HG2 GLU B 30 -10.269 4.534 10.071 1.00 0.28 H new ATOM 0 HG3 GLU B 30 -11.373 3.174 10.033 1.00 0.28 H new ATOM 1395 N LYS B 31 -10.807 0.656 9.520 1.00 0.26 N ATOM 1396 CA LYS B 31 -11.495 -0.622 9.391 1.00 0.30 C ATOM 1397 C LYS B 31 -11.923 -0.928 7.953 1.00 0.27 C ATOM 1398 O LYS B 31 -12.579 -1.942 7.707 1.00 0.33 O ATOM 1399 CB LYS B 31 -12.707 -0.642 10.314 1.00 0.37 C ATOM 1400 CG LYS B 31 -12.353 -0.393 11.769 1.00 0.44 C ATOM 1401 CD LYS B 31 -11.466 -1.500 12.312 1.00 0.49 C ATOM 1402 CE LYS B 31 -10.020 -1.046 12.459 1.00 0.50 C ATOM 1403 NZ LYS B 31 -9.157 -2.112 13.030 1.00 0.65 N ATOM 0 H LYS B 31 -11.401 1.425 9.828 1.00 0.26 H new ATOM 0 HA LYS B 31 -10.788 -1.401 9.678 1.00 0.30 H new ATOM 0 HB2 LYS B 31 -13.419 0.115 9.985 1.00 0.37 H new ATOM 0 HB3 LYS B 31 -13.206 -1.607 10.228 1.00 0.37 H new ATOM 0 HG2 LYS B 31 -11.843 0.566 11.864 1.00 0.44 H new ATOM 0 HG3 LYS B 31 -13.265 -0.329 12.363 1.00 0.44 H new ATOM 0 HD2 LYS B 31 -11.844 -1.827 13.281 1.00 0.49 H new ATOM 0 HD3 LYS B 31 -11.510 -2.361 11.645 1.00 0.49 H new ATOM 0 HE2 LYS B 31 -9.632 -0.749 11.484 1.00 0.50 H new ATOM 0 HE3 LYS B 31 -9.980 -0.165 13.100 1.00 0.50 H new ATOM 0 HZ1 LYS B 31 -8.181 -1.761 13.113 1.00 0.65 H new ATOM 0 HZ2 LYS B 31 -9.511 -2.378 13.971 1.00 0.65 H new ATOM 0 HZ3 LYS B 31 -9.174 -2.944 12.406 1.00 0.65 H new ATOM 1417 N ASP B 32 -11.544 -0.081 7.004 1.00 0.23 N ATOM 1418 CA ASP B 32 -11.923 -0.293 5.611 1.00 0.21 C ATOM 1419 C ASP B 32 -11.059 -1.365 4.974 1.00 0.19 C ATOM 1420 O ASP B 32 -10.089 -1.836 5.572 1.00 0.20 O ATOM 1421 CB ASP B 32 -11.831 0.992 4.795 1.00 0.25 C ATOM 1422 CG ASP B 32 -13.074 1.848 4.912 1.00 0.54 C ATOM 1423 OD1 ASP B 32 -14.106 1.487 4.309 1.00 1.18 O ATOM 1424 OD2 ASP B 32 -13.023 2.892 5.590 1.00 1.37 O ATOM 0 H ASP B 32 -10.980 0.752 7.170 1.00 0.23 H new ATOM 0 HA ASP B 32 -12.962 -0.622 5.611 1.00 0.21 H new ATOM 0 HB2 ASP B 32 -10.966 1.567 5.126 1.00 0.25 H new ATOM 0 HB3 ASP B 32 -11.665 0.741 3.747 1.00 0.25 H new ATOM 1429 N ALA B 33 -11.429 -1.768 3.774 1.00 0.18 N ATOM 1430 CA ALA B 33 -10.698 -2.799 3.067 1.00 0.19 C ATOM 1431 C ALA B 33 -10.122 -2.288 1.758 1.00 0.19 C ATOM 1432 O ALA B 33 -10.727 -1.463 1.069 1.00 0.22 O ATOM 1433 CB ALA B 33 -11.598 -3.994 2.811 1.00 0.22 C ATOM 0 H ALA B 33 -12.233 -1.396 3.268 1.00 0.18 H new ATOM 0 HA ALA B 33 -9.862 -3.103 3.698 1.00 0.19 H new ATOM 0 HB1 ALA B 33 -11.039 -4.763 2.279 1.00 0.22 H new ATOM 0 HB2 ALA B 33 -11.951 -4.394 3.762 1.00 0.22 H new ATOM 0 HB3 ALA B 33 -12.452 -3.684 2.208 1.00 0.22 H new ATOM 1439 N LEU B 34 -8.947 -2.794 1.425 1.00 0.19 N ATOM 1440 CA LEU B 34 -8.284 -2.465 0.185 1.00 0.19 C ATOM 1441 C LEU B 34 -8.113 -3.731 -0.632 1.00 0.20 C ATOM 1442 O LEU B 34 -7.971 -4.826 -0.080 1.00 0.23 O ATOM 1443 CB LEU B 34 -6.909 -1.832 0.429 1.00 0.23 C ATOM 1444 CG LEU B 34 -6.910 -0.439 1.060 1.00 0.46 C ATOM 1445 CD1 LEU B 34 -7.145 -0.523 2.560 1.00 1.23 C ATOM 1446 CD2 LEU B 34 -5.602 0.275 0.761 1.00 0.85 C ATOM 0 H LEU B 34 -8.428 -3.447 2.013 1.00 0.19 H new ATOM 0 HA LEU B 34 -8.898 -1.740 -0.349 1.00 0.19 H new ATOM 0 HB2 LEU B 34 -6.334 -2.499 1.071 1.00 0.23 H new ATOM 0 HB3 LEU B 34 -6.383 -1.776 -0.524 1.00 0.23 H new ATOM 0 HG LEU B 34 -7.727 0.135 0.624 1.00 0.46 H new ATOM 0 HD11 LEU B 34 -7.141 0.480 2.986 1.00 1.23 H new ATOM 0 HD12 LEU B 34 -8.109 -0.995 2.751 1.00 1.23 H new ATOM 0 HD13 LEU B 34 -6.354 -1.115 3.020 1.00 1.23 H new ATOM 0 HD21 LEU B 34 -5.616 1.265 1.216 1.00 0.85 H new ATOM 0 HD22 LEU B 34 -4.772 -0.301 1.170 1.00 0.85 H new ATOM 0 HD23 LEU B 34 -5.479 0.373 -0.318 1.00 0.85 H new ATOM 1458 N GLU B 35 -8.122 -3.570 -1.931 1.00 0.19 N ATOM 1459 CA GLU B 35 -7.967 -4.663 -2.853 1.00 0.20 C ATOM 1460 C GLU B 35 -6.555 -4.626 -3.435 1.00 0.19 C ATOM 1461 O GLU B 35 -6.253 -3.806 -4.305 1.00 0.20 O ATOM 1462 CB GLU B 35 -9.003 -4.510 -3.958 1.00 0.23 C ATOM 1463 CG GLU B 35 -9.594 -5.812 -4.438 1.00 0.78 C ATOM 1464 CD GLU B 35 -10.694 -5.588 -5.454 1.00 0.77 C ATOM 1465 OE1 GLU B 35 -10.386 -5.442 -6.655 1.00 1.40 O ATOM 1466 OE2 GLU B 35 -11.877 -5.533 -5.051 1.00 1.30 O ATOM 0 H GLU B 35 -8.239 -2.663 -2.383 1.00 0.19 H new ATOM 0 HA GLU B 35 -8.114 -5.619 -2.350 1.00 0.20 H new ATOM 0 HB2 GLU B 35 -9.808 -3.869 -3.599 1.00 0.23 H new ATOM 0 HB3 GLU B 35 -8.543 -4.000 -4.804 1.00 0.23 H new ATOM 0 HG2 GLU B 35 -8.810 -6.426 -4.881 1.00 0.78 H new ATOM 0 HG3 GLU B 35 -9.991 -6.366 -3.588 1.00 0.78 H new ATOM 1473 N ILE B 36 -5.689 -5.481 -2.919 1.00 0.20 N ATOM 1474 CA ILE B 36 -4.288 -5.493 -3.318 1.00 0.22 C ATOM 1475 C ILE B 36 -4.035 -6.437 -4.493 1.00 0.24 C ATOM 1476 O ILE B 36 -4.392 -7.617 -4.464 1.00 0.26 O ATOM 1477 CB ILE B 36 -3.354 -5.862 -2.134 1.00 0.25 C ATOM 1478 CG1 ILE B 36 -3.166 -4.665 -1.202 1.00 0.28 C ATOM 1479 CG2 ILE B 36 -1.999 -6.364 -2.620 1.00 0.29 C ATOM 1480 CD1 ILE B 36 -4.384 -4.356 -0.370 1.00 0.25 C ATOM 0 H ILE B 36 -5.932 -6.181 -2.218 1.00 0.20 H new ATOM 0 HA ILE B 36 -4.055 -4.478 -3.639 1.00 0.22 H new ATOM 0 HB ILE B 36 -3.834 -6.671 -1.582 1.00 0.25 H new ATOM 0 HG12 ILE B 36 -2.322 -4.859 -0.539 1.00 0.28 H new ATOM 0 HG13 ILE B 36 -2.909 -3.788 -1.796 1.00 0.28 H new ATOM 0 HG21 ILE B 36 -1.374 -6.612 -1.762 1.00 0.29 H new ATOM 0 HG22 ILE B 36 -2.140 -7.253 -3.236 1.00 0.29 H new ATOM 0 HG23 ILE B 36 -1.513 -5.587 -3.210 1.00 0.29 H new ATOM 0 HD11 ILE B 36 -4.180 -3.496 0.268 1.00 0.25 H new ATOM 0 HD12 ILE B 36 -5.225 -4.131 -1.026 1.00 0.25 H new ATOM 0 HD13 ILE B 36 -4.629 -5.218 0.251 1.00 0.25 H new ATOM 1492 N TYR B 37 -3.423 -5.884 -5.523 1.00 0.24 N ATOM 1493 CA TYR B 37 -2.930 -6.638 -6.658 1.00 0.24 C ATOM 1494 C TYR B 37 -1.411 -6.453 -6.720 1.00 0.18 C ATOM 1495 O TYR B 37 -0.881 -5.520 -6.125 1.00 0.23 O ATOM 1496 CB TYR B 37 -3.654 -6.172 -7.937 1.00 0.31 C ATOM 1497 CG TYR B 37 -2.870 -6.294 -9.233 1.00 1.09 C ATOM 1498 CD1 TYR B 37 -2.797 -7.496 -9.927 1.00 1.84 C ATOM 1499 CD2 TYR B 37 -2.218 -5.192 -9.770 1.00 2.07 C ATOM 1500 CE1 TYR B 37 -2.091 -7.594 -11.113 1.00 2.78 C ATOM 1501 CE2 TYR B 37 -1.510 -5.282 -10.952 1.00 3.02 C ATOM 1502 CZ TYR B 37 -1.449 -6.483 -11.620 1.00 3.21 C ATOM 1503 OH TYR B 37 -0.740 -6.570 -12.797 1.00 4.28 O ATOM 0 H TYR B 37 -3.252 -4.881 -5.595 1.00 0.24 H new ATOM 0 HA TYR B 37 -3.136 -7.704 -6.560 1.00 0.24 H new ATOM 0 HB2 TYR B 37 -4.575 -6.746 -8.038 1.00 0.31 H new ATOM 0 HB3 TYR B 37 -3.942 -5.129 -7.807 1.00 0.31 H new ATOM 0 HD1 TYR B 37 -3.299 -8.368 -9.534 1.00 1.84 H new ATOM 0 HD2 TYR B 37 -2.266 -4.245 -9.253 1.00 2.07 H new ATOM 0 HE1 TYR B 37 -2.043 -8.536 -11.639 1.00 2.78 H new ATOM 0 HE2 TYR B 37 -1.006 -4.414 -11.350 1.00 3.02 H new ATOM 0 HH TYR B 37 0.019 -5.951 -12.768 1.00 4.28 H new ATOM 1513 N VAL B 38 -0.707 -7.336 -7.407 1.00 0.21 N ATOM 1514 CA VAL B 38 0.748 -7.263 -7.434 1.00 0.20 C ATOM 1515 C VAL B 38 1.240 -7.079 -8.859 1.00 0.20 C ATOM 1516 O VAL B 38 0.683 -7.653 -9.793 1.00 0.26 O ATOM 1517 CB VAL B 38 1.405 -8.509 -6.800 1.00 0.23 C ATOM 1518 CG1 VAL B 38 1.169 -9.756 -7.642 1.00 0.28 C ATOM 1519 CG2 VAL B 38 2.888 -8.263 -6.585 1.00 0.21 C ATOM 0 H VAL B 38 -1.109 -8.102 -7.947 1.00 0.21 H new ATOM 0 HA VAL B 38 1.041 -6.400 -6.836 1.00 0.20 H new ATOM 0 HB VAL B 38 0.938 -8.686 -5.831 1.00 0.23 H new ATOM 0 HG11 VAL B 38 1.645 -10.613 -7.165 1.00 0.28 H new ATOM 0 HG12 VAL B 38 0.098 -9.939 -7.729 1.00 0.28 H new ATOM 0 HG13 VAL B 38 1.594 -9.610 -8.635 1.00 0.28 H new ATOM 0 HG21 VAL B 38 3.342 -9.147 -6.138 1.00 0.21 H new ATOM 0 HG22 VAL B 38 3.365 -8.055 -7.543 1.00 0.21 H new ATOM 0 HG23 VAL B 38 3.023 -7.410 -5.920 1.00 0.21 H new ATOM 1529 N ASP B 39 2.262 -6.259 -9.028 1.00 0.18 N ATOM 1530 CA ASP B 39 2.772 -5.966 -10.354 1.00 0.22 C ATOM 1531 C ASP B 39 4.292 -5.983 -10.358 1.00 0.26 C ATOM 1532 O ASP B 39 4.942 -4.957 -10.139 1.00 0.29 O ATOM 1533 CB ASP B 39 2.236 -4.618 -10.842 1.00 0.24 C ATOM 1534 CG ASP B 39 2.341 -4.454 -12.345 1.00 0.39 C ATOM 1535 OD1 ASP B 39 1.404 -4.875 -13.060 1.00 1.12 O ATOM 1536 OD2 ASP B 39 3.343 -3.882 -12.816 1.00 1.07 O ATOM 0 H ASP B 39 2.752 -5.787 -8.268 1.00 0.18 H new ATOM 0 HA ASP B 39 2.427 -6.739 -11.040 1.00 0.22 H new ATOM 0 HB2 ASP B 39 1.193 -4.517 -10.542 1.00 0.24 H new ATOM 0 HB3 ASP B 39 2.788 -3.815 -10.354 1.00 0.24 H new ATOM 1541 N ASP B 40 4.840 -7.176 -10.559 1.00 0.30 N ATOM 1542 CA ASP B 40 6.282 -7.381 -10.678 1.00 0.36 C ATOM 1543 C ASP B 40 7.023 -7.037 -9.398 1.00 0.39 C ATOM 1544 O ASP B 40 7.087 -7.837 -8.467 1.00 0.46 O ATOM 1545 CB ASP B 40 6.856 -6.559 -11.838 1.00 0.48 C ATOM 1546 CG ASP B 40 6.675 -7.233 -13.181 1.00 0.92 C ATOM 1547 OD1 ASP B 40 5.597 -7.076 -13.791 1.00 1.64 O ATOM 1548 OD2 ASP B 40 7.613 -7.914 -13.641 1.00 1.59 O ATOM 0 H ASP B 40 4.295 -8.034 -10.645 1.00 0.30 H new ATOM 0 HA ASP B 40 6.428 -8.443 -10.875 1.00 0.36 H new ATOM 0 HB2 ASP B 40 6.373 -5.582 -11.859 1.00 0.48 H new ATOM 0 HB3 ASP B 40 7.918 -6.386 -11.664 1.00 0.48 H new ATOM 1553 N GLU B 41 7.569 -5.833 -9.360 1.00 0.45 N ATOM 1554 CA GLU B 41 8.388 -5.400 -8.245 1.00 0.58 C ATOM 1555 C GLU B 41 7.602 -4.470 -7.341 1.00 0.41 C ATOM 1556 O GLU B 41 8.092 -4.047 -6.294 1.00 0.46 O ATOM 1557 CB GLU B 41 9.632 -4.674 -8.753 1.00 0.87 C ATOM 1558 CG GLU B 41 10.428 -5.459 -9.777 1.00 1.33 C ATOM 1559 CD GLU B 41 11.640 -4.693 -10.255 1.00 1.98 C ATOM 1560 OE1 GLU B 41 11.485 -3.795 -11.110 1.00 2.10 O ATOM 1561 OE2 GLU B 41 12.754 -4.963 -9.763 1.00 2.81 O ATOM 0 H GLU B 41 7.457 -5.135 -10.095 1.00 0.45 H new ATOM 0 HA GLU B 41 8.688 -6.282 -7.680 1.00 0.58 H new ATOM 0 HB2 GLU B 41 9.331 -3.723 -9.193 1.00 0.87 H new ATOM 0 HB3 GLU B 41 10.277 -4.443 -7.905 1.00 0.87 H new ATOM 0 HG2 GLU B 41 10.746 -6.406 -9.342 1.00 1.33 H new ATOM 0 HG3 GLU B 41 9.790 -5.697 -10.628 1.00 1.33 H new ATOM 1568 N LYS B 42 6.386 -4.142 -7.750 1.00 0.34 N ATOM 1569 CA LYS B 42 5.598 -3.176 -7.018 1.00 0.31 C ATOM 1570 C LYS B 42 4.251 -3.740 -6.600 1.00 0.24 C ATOM 1571 O LYS B 42 3.753 -4.709 -7.179 1.00 0.27 O ATOM 1572 CB LYS B 42 5.416 -1.901 -7.839 1.00 0.44 C ATOM 1573 CG LYS B 42 4.612 -2.051 -9.119 1.00 0.84 C ATOM 1574 CD LYS B 42 4.481 -0.706 -9.808 1.00 0.92 C ATOM 1575 CE LYS B 42 3.560 -0.758 -11.014 1.00 0.48 C ATOM 1576 NZ LYS B 42 4.165 -1.496 -12.154 1.00 0.98 N ATOM 0 H LYS B 42 5.931 -4.529 -8.577 1.00 0.34 H new ATOM 0 HA LYS B 42 6.144 -2.933 -6.107 1.00 0.31 H new ATOM 0 HB2 LYS B 42 4.930 -1.153 -7.212 1.00 0.44 H new ATOM 0 HB3 LYS B 42 6.401 -1.511 -8.094 1.00 0.44 H new ATOM 0 HG2 LYS B 42 5.100 -2.764 -9.784 1.00 0.84 H new ATOM 0 HG3 LYS B 42 3.624 -2.451 -8.893 1.00 0.84 H new ATOM 0 HD2 LYS B 42 4.102 0.028 -9.097 1.00 0.92 H new ATOM 0 HD3 LYS B 42 5.467 -0.365 -10.122 1.00 0.92 H new ATOM 0 HE2 LYS B 42 2.622 -1.236 -10.732 1.00 0.48 H new ATOM 0 HE3 LYS B 42 3.319 0.257 -11.328 1.00 0.48 H new ATOM 0 HZ1 LYS B 42 3.829 -1.087 -13.049 1.00 0.98 H new ATOM 0 HZ2 LYS B 42 5.201 -1.420 -12.106 1.00 0.98 H new ATOM 0 HZ3 LYS B 42 3.888 -2.497 -12.105 1.00 0.98 H new ATOM 1590 N ILE B 43 3.666 -3.115 -5.594 1.00 0.20 N ATOM 1591 CA ILE B 43 2.401 -3.552 -5.049 1.00 0.19 C ATOM 1592 C ILE B 43 1.322 -2.531 -5.374 1.00 0.18 C ATOM 1593 O ILE B 43 1.554 -1.321 -5.317 1.00 0.20 O ATOM 1594 CB ILE B 43 2.489 -3.748 -3.524 1.00 0.24 C ATOM 1595 CG1 ILE B 43 3.642 -4.693 -3.186 1.00 0.31 C ATOM 1596 CG2 ILE B 43 1.175 -4.291 -2.977 1.00 0.28 C ATOM 1597 CD1 ILE B 43 3.947 -4.773 -1.708 1.00 0.42 C ATOM 0 H ILE B 43 4.057 -2.292 -5.135 1.00 0.20 H new ATOM 0 HA ILE B 43 2.148 -4.511 -5.501 1.00 0.19 H new ATOM 0 HB ILE B 43 2.678 -2.782 -3.056 1.00 0.24 H new ATOM 0 HG12 ILE B 43 3.402 -5.691 -3.553 1.00 0.31 H new ATOM 0 HG13 ILE B 43 4.536 -4.365 -3.716 1.00 0.31 H new ATOM 0 HG21 ILE B 43 1.257 -4.423 -1.898 1.00 0.28 H new ATOM 0 HG22 ILE B 43 0.371 -3.588 -3.197 1.00 0.28 H new ATOM 0 HG23 ILE B 43 0.955 -5.251 -3.444 1.00 0.28 H new ATOM 0 HD11 ILE B 43 4.776 -5.462 -1.544 1.00 0.42 H new ATOM 0 HD12 ILE B 43 4.219 -3.784 -1.339 1.00 0.42 H new ATOM 0 HD13 ILE B 43 3.067 -5.131 -1.174 1.00 0.42 H new ATOM 1609 N ILE B 44 0.158 -3.028 -5.732 1.00 0.17 N ATOM 1610 CA ILE B 44 -0.951 -2.189 -6.136 1.00 0.17 C ATOM 1611 C ILE B 44 -2.081 -2.333 -5.132 1.00 0.18 C ATOM 1612 O ILE B 44 -2.564 -3.434 -4.903 1.00 0.24 O ATOM 1613 CB ILE B 44 -1.473 -2.587 -7.532 1.00 0.21 C ATOM 1614 CG1 ILE B 44 -0.311 -2.809 -8.514 1.00 0.25 C ATOM 1615 CG2 ILE B 44 -2.424 -1.525 -8.053 1.00 0.25 C ATOM 1616 CD1 ILE B 44 0.558 -1.595 -8.739 1.00 0.25 C ATOM 0 H ILE B 44 -0.047 -4.027 -5.751 1.00 0.17 H new ATOM 0 HA ILE B 44 -0.601 -1.158 -6.175 1.00 0.17 H new ATOM 0 HB ILE B 44 -2.014 -3.529 -7.443 1.00 0.21 H new ATOM 0 HG12 ILE B 44 0.312 -3.622 -8.142 1.00 0.25 H new ATOM 0 HG13 ILE B 44 -0.718 -3.132 -9.472 1.00 0.25 H new ATOM 0 HG21 ILE B 44 -2.788 -1.814 -9.039 1.00 0.25 H new ATOM 0 HG22 ILE B 44 -3.268 -1.425 -7.370 1.00 0.25 H new ATOM 0 HG23 ILE B 44 -1.901 -0.572 -8.125 1.00 0.25 H new ATOM 0 HD11 ILE B 44 1.352 -1.841 -9.445 1.00 0.25 H new ATOM 0 HD12 ILE B 44 -0.048 -0.784 -9.143 1.00 0.25 H new ATOM 0 HD13 ILE B 44 0.998 -1.282 -7.792 1.00 0.25 H new ATOM 1628 N LEU B 45 -2.497 -1.244 -4.515 1.00 0.19 N ATOM 1629 CA LEU B 45 -3.587 -1.318 -3.559 1.00 0.20 C ATOM 1630 C LEU B 45 -4.672 -0.320 -3.898 1.00 0.21 C ATOM 1631 O LEU B 45 -4.487 0.895 -3.830 1.00 0.29 O ATOM 1632 CB LEU B 45 -3.107 -1.140 -2.113 1.00 0.36 C ATOM 1633 CG LEU B 45 -1.625 -0.817 -1.942 1.00 0.43 C ATOM 1634 CD1 LEU B 45 -1.375 0.663 -2.151 1.00 1.29 C ATOM 1635 CD2 LEU B 45 -1.143 -1.265 -0.573 1.00 1.22 C ATOM 0 H LEU B 45 -2.106 -0.312 -4.654 1.00 0.19 H new ATOM 0 HA LEU B 45 -4.007 -2.321 -3.632 1.00 0.20 H new ATOM 0 HB2 LEU B 45 -3.689 -0.342 -1.652 1.00 0.36 H new ATOM 0 HB3 LEU B 45 -3.327 -2.054 -1.562 1.00 0.36 H new ATOM 0 HG LEU B 45 -1.059 -1.362 -2.697 1.00 0.43 H new ATOM 0 HD11 LEU B 45 -0.313 0.874 -2.025 1.00 1.29 H new ATOM 0 HD12 LEU B 45 -1.684 0.946 -3.157 1.00 1.29 H new ATOM 0 HD13 LEU B 45 -1.948 1.235 -1.421 1.00 1.29 H new ATOM 0 HD21 LEU B 45 -0.084 -1.029 -0.465 1.00 1.22 H new ATOM 0 HD22 LEU B 45 -1.711 -0.748 0.200 1.00 1.22 H new ATOM 0 HD23 LEU B 45 -1.287 -2.341 -0.471 1.00 1.22 H new ATOM 1647 N LYS B 46 -5.786 -0.869 -4.304 1.00 0.20 N ATOM 1648 CA LYS B 46 -6.973 -0.123 -4.635 1.00 0.25 C ATOM 1649 C LYS B 46 -7.961 -0.297 -3.500 1.00 0.29 C ATOM 1650 O LYS B 46 -7.727 -1.085 -2.598 1.00 0.52 O ATOM 1651 CB LYS B 46 -7.510 -0.685 -5.952 1.00 0.31 C ATOM 1652 CG LYS B 46 -8.800 -0.088 -6.461 1.00 0.63 C ATOM 1653 CD LYS B 46 -9.300 -0.922 -7.615 1.00 0.65 C ATOM 1654 CE LYS B 46 -9.545 -2.344 -7.147 1.00 0.97 C ATOM 1655 NZ LYS B 46 -9.995 -3.248 -8.236 1.00 1.22 N ATOM 0 H LYS B 46 -5.897 -1.877 -4.417 1.00 0.20 H new ATOM 0 HA LYS B 46 -6.782 0.943 -4.761 1.00 0.25 H new ATOM 0 HB2 LYS B 46 -6.746 -0.550 -6.718 1.00 0.31 H new ATOM 0 HB3 LYS B 46 -7.655 -1.759 -5.831 1.00 0.31 H new ATOM 0 HG2 LYS B 46 -9.544 -0.061 -5.665 1.00 0.63 H new ATOM 0 HG3 LYS B 46 -8.639 0.941 -6.781 1.00 0.63 H new ATOM 0 HD2 LYS B 46 -10.221 -0.496 -8.013 1.00 0.65 H new ATOM 0 HD3 LYS B 46 -8.570 -0.916 -8.425 1.00 0.65 H new ATOM 0 HE2 LYS B 46 -8.628 -2.739 -6.711 1.00 0.97 H new ATOM 0 HE3 LYS B 46 -10.296 -2.336 -6.357 1.00 0.97 H new ATOM 0 HZ1 LYS B 46 -10.113 -4.211 -7.861 1.00 1.22 H new ATOM 0 HZ2 LYS B 46 -10.903 -2.910 -8.615 1.00 1.22 H new ATOM 0 HZ3 LYS B 46 -9.285 -3.257 -8.996 1.00 1.22 H new ATOM 1669 N LYS B 47 -9.023 0.463 -3.506 1.00 0.23 N ATOM 1670 CA LYS B 47 -10.101 0.245 -2.552 1.00 0.25 C ATOM 1671 C LYS B 47 -10.890 -1.001 -2.947 1.00 0.26 C ATOM 1672 O LYS B 47 -11.039 -1.293 -4.137 1.00 0.28 O ATOM 1673 CB LYS B 47 -11.018 1.465 -2.513 1.00 0.31 C ATOM 1674 CG LYS B 47 -12.228 1.296 -1.609 1.00 1.18 C ATOM 1675 CD LYS B 47 -13.115 2.519 -1.653 1.00 1.15 C ATOM 1676 CE LYS B 47 -14.335 2.338 -0.776 1.00 2.19 C ATOM 1677 NZ LYS B 47 -15.245 1.294 -1.311 1.00 2.50 N ATOM 0 H LYS B 47 -9.174 1.237 -4.153 1.00 0.23 H new ATOM 0 HA LYS B 47 -9.679 0.096 -1.558 1.00 0.25 H new ATOM 0 HB2 LYS B 47 -10.444 2.329 -2.178 1.00 0.31 H new ATOM 0 HB3 LYS B 47 -11.360 1.683 -3.525 1.00 0.31 H new ATOM 0 HG2 LYS B 47 -12.797 0.419 -1.918 1.00 1.18 H new ATOM 0 HG3 LYS B 47 -11.899 1.118 -0.585 1.00 1.18 H new ATOM 0 HD2 LYS B 47 -12.552 3.392 -1.323 1.00 1.15 H new ATOM 0 HD3 LYS B 47 -13.426 2.710 -2.680 1.00 1.15 H new ATOM 0 HE2 LYS B 47 -14.022 2.066 0.232 1.00 2.19 H new ATOM 0 HE3 LYS B 47 -14.871 3.284 -0.699 1.00 2.19 H new ATOM 0 HZ1 LYS B 47 -16.161 1.347 -0.821 1.00 2.50 H new ATOM 0 HZ2 LYS B 47 -15.388 1.447 -2.330 1.00 2.50 H new ATOM 0 HZ3 LYS B 47 -14.824 0.355 -1.158 1.00 2.50 H new ATOM 1691 N TYR B 48 -11.373 -1.739 -1.954 1.00 0.33 N ATOM 1692 CA TYR B 48 -12.159 -2.934 -2.208 1.00 0.40 C ATOM 1693 C TYR B 48 -13.421 -2.577 -2.986 1.00 0.51 C ATOM 1694 O TYR B 48 -13.983 -1.493 -2.813 1.00 0.62 O ATOM 1695 CB TYR B 48 -12.516 -3.629 -0.886 1.00 0.54 C ATOM 1696 CG TYR B 48 -13.449 -4.816 -1.038 1.00 1.10 C ATOM 1697 CD1 TYR B 48 -13.059 -5.953 -1.736 1.00 2.03 C ATOM 1698 CD2 TYR B 48 -14.726 -4.790 -0.489 1.00 1.59 C ATOM 1699 CE1 TYR B 48 -13.914 -7.030 -1.882 1.00 2.67 C ATOM 1700 CE2 TYR B 48 -15.586 -5.863 -0.630 1.00 2.26 C ATOM 1701 CZ TYR B 48 -15.176 -6.980 -1.327 1.00 2.61 C ATOM 1702 OH TYR B 48 -16.035 -8.050 -1.470 1.00 3.39 O ATOM 0 H TYR B 48 -11.232 -1.528 -0.966 1.00 0.33 H new ATOM 0 HA TYR B 48 -11.566 -3.624 -2.808 1.00 0.40 H new ATOM 0 HB2 TYR B 48 -11.597 -3.963 -0.405 1.00 0.54 H new ATOM 0 HB3 TYR B 48 -12.978 -2.901 -0.219 1.00 0.54 H new ATOM 0 HD1 TYR B 48 -12.072 -5.996 -2.172 1.00 2.03 H new ATOM 0 HD2 TYR B 48 -15.052 -3.917 0.057 1.00 1.59 H new ATOM 0 HE1 TYR B 48 -13.595 -7.906 -2.428 1.00 2.67 H new ATOM 0 HE2 TYR B 48 -16.574 -5.827 -0.196 1.00 2.26 H new ATOM 0 HH TYR B 48 -16.882 -7.852 -1.019 1.00 3.39 H new