USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 399 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 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -125:sc= 1.27 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 0.785 (180deg=0.617) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 90:sc= 0.632 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.41 K(o=-0.41,f=-4.4!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 78:sc= -0.883 USER MOD Single : A 50 LYS NZ :NH3+ -168:sc= 0.0612 (180deg=0.0262) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -119:sc= 0.488 (180deg=-0.113) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 55 N GLY A 19 -2.575 4.454 5.755 1.00 1.07 N ATOM 56 CA GLY A 19 -1.200 4.341 5.373 1.00 0.82 C ATOM 57 C GLY A 19 -1.055 4.836 3.969 1.00 0.70 C ATOM 58 O GLY A 19 -2.062 5.187 3.350 1.00 1.05 O ATOM 0 HA2 GLY A 19 -0.571 4.923 6.047 1.00 0.82 H new ATOM 0 HA3 GLY A 19 -0.871 3.304 5.445 1.00 0.82 H new ATOM 62 N SER A 20 0.139 4.877 3.454 1.00 0.60 N ATOM 63 CA SER A 20 0.333 5.308 2.093 1.00 0.70 C ATOM 64 C SER A 20 0.325 4.071 1.190 1.00 0.53 C ATOM 65 O SER A 20 1.021 3.085 1.478 1.00 0.89 O ATOM 66 CB SER A 20 1.654 6.101 1.956 1.00 1.22 C ATOM 67 OG SER A 20 1.826 6.599 0.641 1.00 1.81 O ATOM 0 H SER A 20 0.992 4.619 3.950 1.00 0.60 H new ATOM 0 HA SER A 20 -0.472 5.978 1.792 1.00 0.70 H new ATOM 0 HB2 SER A 20 1.657 6.930 2.664 1.00 1.22 H new ATOM 0 HB3 SER A 20 2.495 5.457 2.215 1.00 1.22 H new ATOM 0 HG SER A 20 2.669 7.097 0.587 1.00 1.81 H new ATOM 73 N LYS A 21 -0.474 4.104 0.134 1.00 0.67 N ATOM 74 CA LYS A 21 -0.614 2.964 -0.764 1.00 0.88 C ATOM 75 C LYS A 21 0.471 3.071 -1.811 1.00 0.70 C ATOM 76 O LYS A 21 0.502 4.032 -2.560 1.00 1.07 O ATOM 77 CB LYS A 21 -2.018 2.980 -1.415 1.00 1.67 C ATOM 78 CG LYS A 21 -3.186 2.802 -0.419 1.00 2.31 C ATOM 79 CD LYS A 21 -3.352 1.355 0.064 1.00 3.10 C ATOM 80 CE LYS A 21 -4.397 1.215 1.216 1.00 3.78 C ATOM 81 NZ LYS A 21 -5.768 1.653 0.851 1.00 4.35 N ATOM 0 H LYS A 21 -1.039 4.913 -0.124 1.00 0.67 H new ATOM 0 HA LYS A 21 -0.512 2.024 -0.222 1.00 0.88 H new ATOM 0 HB2 LYS A 21 -2.149 3.924 -1.944 1.00 1.67 H new ATOM 0 HB3 LYS A 21 -2.068 2.187 -2.161 1.00 1.67 H new ATOM 0 HG2 LYS A 21 -3.022 3.449 0.442 1.00 2.31 H new ATOM 0 HG3 LYS A 21 -4.112 3.129 -0.892 1.00 2.31 H new ATOM 0 HD2 LYS A 21 -3.658 0.730 -0.775 1.00 3.10 H new ATOM 0 HD3 LYS A 21 -2.388 0.979 0.407 1.00 3.10 H new ATOM 0 HE2 LYS A 21 -4.433 0.173 1.534 1.00 3.78 H new ATOM 0 HE3 LYS A 21 -4.057 1.798 2.072 1.00 3.78 H new ATOM 0 HZ1 LYS A 21 -6.401 1.529 1.667 1.00 4.35 H new ATOM 0 HZ2 LYS A 21 -5.750 2.656 0.576 1.00 4.35 H new ATOM 0 HZ3 LYS A 21 -6.114 1.081 0.054 1.00 4.35 H new ATOM 95 N ILE A 22 1.396 2.134 -1.828 1.00 0.48 N ATOM 96 CA ILE A 22 2.519 2.231 -2.752 1.00 0.59 C ATOM 97 C ILE A 22 2.854 0.872 -3.309 1.00 0.43 C ATOM 98 O ILE A 22 2.284 -0.154 -2.880 1.00 0.51 O ATOM 99 CB ILE A 22 3.841 2.801 -2.096 1.00 1.12 C ATOM 100 CG1 ILE A 22 4.566 1.774 -1.180 1.00 1.51 C ATOM 101 CG2 ILE A 22 3.587 4.098 -1.333 1.00 1.77 C ATOM 102 CD1 ILE A 22 3.775 1.270 0.013 1.00 2.41 C ATOM 0 H ILE A 22 1.399 1.310 -1.227 1.00 0.48 H new ATOM 0 HA ILE A 22 2.191 2.925 -3.526 1.00 0.59 H new ATOM 0 HB ILE A 22 4.506 3.013 -2.933 1.00 1.12 H new ATOM 0 HG12 ILE A 22 4.855 0.916 -1.787 1.00 1.51 H new ATOM 0 HG13 ILE A 22 5.486 2.230 -0.814 1.00 1.51 H new ATOM 0 HG21 ILE A 22 4.521 4.454 -0.899 1.00 1.77 H new ATOM 0 HG22 ILE A 22 3.194 4.851 -2.016 1.00 1.77 H new ATOM 0 HG23 ILE A 22 2.864 3.917 -0.538 1.00 1.77 H new ATOM 0 HD11 ILE A 22 4.380 0.561 0.578 1.00 2.41 H new ATOM 0 HD12 ILE A 22 3.508 2.110 0.654 1.00 2.41 H new ATOM 0 HD13 ILE A 22 2.867 0.776 -0.334 1.00 2.41 H new ATOM 114 N SER A 23 3.803 0.867 -4.206 1.00 0.44 N ATOM 115 CA SER A 23 4.280 -0.329 -4.818 1.00 0.38 C ATOM 116 C SER A 23 5.801 -0.236 -4.930 1.00 0.34 C ATOM 117 O SER A 23 6.319 0.617 -5.647 1.00 0.52 O ATOM 118 CB SER A 23 3.661 -0.469 -6.208 1.00 0.53 C ATOM 119 OG SER A 23 2.246 -0.330 -6.163 1.00 1.33 O ATOM 0 H SER A 23 4.270 1.713 -4.533 1.00 0.44 H new ATOM 0 HA SER A 23 4.005 -1.199 -4.222 1.00 0.38 H new ATOM 0 HB2 SER A 23 4.081 0.286 -6.873 1.00 0.53 H new ATOM 0 HB3 SER A 23 3.919 -1.442 -6.627 1.00 0.53 H new ATOM 0 HG SER A 23 1.827 -1.119 -6.566 1.00 1.33 H new ATOM 125 N LEU A 24 6.502 -1.068 -4.207 1.00 0.34 N ATOM 126 CA LEU A 24 7.953 -1.050 -4.209 1.00 0.37 C ATOM 127 C LEU A 24 8.504 -2.408 -4.568 1.00 0.35 C ATOM 128 O LEU A 24 7.888 -3.427 -4.282 1.00 0.50 O ATOM 129 CB LEU A 24 8.493 -0.542 -2.832 1.00 0.56 C ATOM 130 CG LEU A 24 10.020 -0.581 -2.603 1.00 0.77 C ATOM 131 CD1 LEU A 24 10.423 0.483 -1.623 1.00 1.20 C ATOM 132 CD2 LEU A 24 10.428 -1.914 -2.018 1.00 1.45 C ATOM 0 H LEU A 24 6.092 -1.778 -3.600 1.00 0.34 H new ATOM 0 HA LEU A 24 8.296 -0.353 -4.973 1.00 0.37 H new ATOM 0 HB2 LEU A 24 8.160 0.487 -2.700 1.00 0.56 H new ATOM 0 HB3 LEU A 24 8.021 -1.133 -2.047 1.00 0.56 H new ATOM 0 HG LEU A 24 10.506 -0.421 -3.565 1.00 0.77 H new ATOM 0 HD11 LEU A 24 11.501 0.446 -1.469 1.00 1.20 H new ATOM 0 HD12 LEU A 24 10.145 1.462 -2.014 1.00 1.20 H new ATOM 0 HD13 LEU A 24 9.915 0.314 -0.673 1.00 1.20 H new ATOM 0 HD21 LEU A 24 11.507 -1.928 -1.862 1.00 1.45 H new ATOM 0 HD22 LEU A 24 9.921 -2.063 -1.065 1.00 1.45 H new ATOM 0 HD23 LEU A 24 10.151 -2.713 -2.705 1.00 1.45 H new ATOM 144 N ILE A 25 9.650 -2.423 -5.222 1.00 0.29 N ATOM 145 CA ILE A 25 10.306 -3.658 -5.553 1.00 0.28 C ATOM 146 C ILE A 25 11.691 -3.711 -4.887 1.00 0.25 C ATOM 147 O ILE A 25 12.497 -2.760 -4.998 1.00 0.29 O ATOM 148 CB ILE A 25 10.426 -3.852 -7.088 1.00 0.32 C ATOM 149 CG1 ILE A 25 9.027 -3.784 -7.733 1.00 0.39 C ATOM 150 CG2 ILE A 25 11.095 -5.192 -7.388 1.00 0.34 C ATOM 151 CD1 ILE A 25 9.007 -3.911 -9.243 1.00 0.72 C ATOM 0 H ILE A 25 10.142 -1.585 -5.533 1.00 0.29 H new ATOM 0 HA ILE A 25 9.696 -4.477 -5.172 1.00 0.28 H new ATOM 0 HB ILE A 25 11.040 -3.056 -7.509 1.00 0.32 H new ATOM 0 HG12 ILE A 25 8.410 -4.576 -7.309 1.00 0.39 H new ATOM 0 HG13 ILE A 25 8.563 -2.837 -7.458 1.00 0.39 H new ATOM 0 HG21 ILE A 25 11.177 -5.324 -8.467 1.00 0.34 H new ATOM 0 HG22 ILE A 25 12.090 -5.210 -6.943 1.00 0.34 H new ATOM 0 HG23 ILE A 25 10.496 -6.000 -6.968 1.00 0.34 H new ATOM 0 HD11 ILE A 25 7.979 -3.851 -9.600 1.00 0.72 H new ATOM 0 HD12 ILE A 25 9.592 -3.104 -9.684 1.00 0.72 H new ATOM 0 HD13 ILE A 25 9.436 -4.870 -9.533 1.00 0.72 H new ATOM 163 N SER A 26 11.939 -4.802 -4.183 1.00 0.27 N ATOM 164 CA SER A 26 13.198 -5.053 -3.502 1.00 0.31 C ATOM 165 C SER A 26 14.264 -5.454 -4.536 1.00 0.29 C ATOM 166 O SER A 26 13.912 -5.858 -5.654 1.00 0.28 O ATOM 167 CB SER A 26 12.991 -6.174 -2.460 1.00 0.45 C ATOM 168 OG SER A 26 14.193 -6.478 -1.758 1.00 1.34 O ATOM 0 H SER A 26 11.258 -5.553 -4.066 1.00 0.27 H new ATOM 0 HA SER A 26 13.538 -4.154 -2.987 1.00 0.31 H new ATOM 0 HB2 SER A 26 12.223 -5.871 -1.749 1.00 0.45 H new ATOM 0 HB3 SER A 26 12.626 -7.071 -2.960 1.00 0.45 H new ATOM 0 HG SER A 26 14.021 -7.190 -1.107 1.00 1.34 H new ATOM 174 N LYS A 27 15.567 -5.359 -4.151 1.00 0.35 N ATOM 175 CA LYS A 27 16.717 -5.636 -5.070 1.00 0.41 C ATOM 176 C LYS A 27 16.546 -6.953 -5.838 1.00 0.45 C ATOM 177 O LYS A 27 16.934 -7.051 -7.006 1.00 0.60 O ATOM 178 CB LYS A 27 18.112 -5.673 -4.343 1.00 0.53 C ATOM 179 CG LYS A 27 18.459 -6.986 -3.569 1.00 0.83 C ATOM 180 CD LYS A 27 17.616 -7.234 -2.315 1.00 0.74 C ATOM 181 CE LYS A 27 17.952 -6.255 -1.230 1.00 1.33 C ATOM 182 NZ LYS A 27 19.363 -6.386 -0.779 1.00 2.12 N ATOM 0 H LYS A 27 15.852 -5.092 -3.209 1.00 0.35 H new ATOM 0 HA LYS A 27 16.708 -4.795 -5.764 1.00 0.41 H new ATOM 0 HB2 LYS A 27 18.889 -5.500 -5.087 1.00 0.53 H new ATOM 0 HB3 LYS A 27 18.153 -4.841 -3.640 1.00 0.53 H new ATOM 0 HG2 LYS A 27 18.337 -7.832 -4.245 1.00 0.83 H new ATOM 0 HG3 LYS A 27 19.510 -6.955 -3.283 1.00 0.83 H new ATOM 0 HD2 LYS A 27 16.558 -7.155 -2.564 1.00 0.74 H new ATOM 0 HD3 LYS A 27 17.784 -8.249 -1.956 1.00 0.74 H new ATOM 0 HE2 LYS A 27 17.779 -5.241 -1.590 1.00 1.33 H new ATOM 0 HE3 LYS A 27 17.285 -6.410 -0.382 1.00 1.33 H new ATOM 0 HZ1 LYS A 27 19.521 -5.777 0.049 1.00 2.12 H new ATOM 0 HZ2 LYS A 27 19.555 -7.375 -0.522 1.00 2.12 H new ATOM 0 HZ3 LYS A 27 20.001 -6.098 -1.548 1.00 2.12 H new ATOM 196 N ALA A 28 15.942 -7.940 -5.167 1.00 0.44 N ATOM 197 CA ALA A 28 15.764 -9.302 -5.688 1.00 0.52 C ATOM 198 C ALA A 28 14.561 -9.403 -6.613 1.00 0.41 C ATOM 199 O ALA A 28 14.087 -10.499 -6.918 1.00 0.48 O ATOM 200 CB ALA A 28 15.620 -10.268 -4.518 1.00 0.70 C ATOM 0 H ALA A 28 15.556 -7.814 -4.231 1.00 0.44 H new ATOM 0 HA ALA A 28 16.642 -9.563 -6.279 1.00 0.52 H new ATOM 0 HB1 ALA A 28 15.487 -11.281 -4.897 1.00 0.70 H new ATOM 0 HB2 ALA A 28 16.516 -10.226 -3.899 1.00 0.70 H new ATOM 0 HB3 ALA A 28 14.753 -9.988 -3.920 1.00 0.70 H new ATOM 206 N GLU A 29 14.084 -8.235 -7.054 1.00 0.34 N ATOM 207 CA GLU A 29 12.970 -8.087 -7.993 1.00 0.38 C ATOM 208 C GLU A 29 11.657 -8.517 -7.305 1.00 0.40 C ATOM 209 O GLU A 29 10.656 -8.865 -7.944 1.00 0.55 O ATOM 210 CB GLU A 29 13.248 -8.881 -9.300 1.00 0.58 C ATOM 211 CG GLU A 29 12.290 -8.588 -10.449 1.00 1.38 C ATOM 212 CD GLU A 29 12.578 -9.424 -11.669 1.00 1.79 C ATOM 213 OE1 GLU A 29 13.533 -9.108 -12.410 1.00 2.01 O ATOM 214 OE2 GLU A 29 11.853 -10.413 -11.909 1.00 2.59 O ATOM 0 H GLU A 29 14.475 -7.340 -6.758 1.00 0.34 H new ATOM 0 HA GLU A 29 12.866 -7.041 -8.282 1.00 0.38 H new ATOM 0 HB2 GLU A 29 14.264 -8.664 -9.630 1.00 0.58 H new ATOM 0 HB3 GLU A 29 13.207 -9.947 -9.075 1.00 0.58 H new ATOM 0 HG2 GLU A 29 11.267 -8.771 -10.120 1.00 1.38 H new ATOM 0 HG3 GLU A 29 12.356 -7.532 -10.712 1.00 1.38 H new ATOM 221 N ILE A 30 11.645 -8.411 -5.992 1.00 0.39 N ATOM 222 CA ILE A 30 10.476 -8.820 -5.238 1.00 0.52 C ATOM 223 C ILE A 30 9.586 -7.629 -4.985 1.00 0.55 C ATOM 224 O ILE A 30 10.002 -6.655 -4.363 1.00 0.59 O ATOM 225 CB ILE A 30 10.821 -9.518 -3.903 1.00 0.63 C ATOM 226 CG1 ILE A 30 11.702 -10.767 -4.143 1.00 0.70 C ATOM 227 CG2 ILE A 30 9.545 -9.888 -3.159 1.00 0.80 C ATOM 228 CD1 ILE A 30 11.071 -11.844 -5.016 1.00 1.17 C ATOM 0 H ILE A 30 12.418 -8.051 -5.431 1.00 0.39 H new ATOM 0 HA ILE A 30 9.953 -9.558 -5.847 1.00 0.52 H new ATOM 0 HB ILE A 30 11.392 -8.823 -3.287 1.00 0.63 H new ATOM 0 HG12 ILE A 30 12.638 -10.450 -4.604 1.00 0.70 H new ATOM 0 HG13 ILE A 30 11.955 -11.205 -3.178 1.00 0.70 H new ATOM 0 HG21 ILE A 30 9.801 -10.379 -2.220 1.00 0.80 H new ATOM 0 HG22 ILE A 30 8.970 -8.986 -2.952 1.00 0.80 H new ATOM 0 HG23 ILE A 30 8.950 -10.565 -3.772 1.00 0.80 H new ATOM 0 HD11 ILE A 30 11.765 -12.677 -5.125 1.00 1.17 H new ATOM 0 HD12 ILE A 30 10.151 -12.197 -4.550 1.00 1.17 H new ATOM 0 HD13 ILE A 30 10.845 -11.430 -5.998 1.00 1.17 H new ATOM 240 N ARG A 31 8.379 -7.713 -5.463 1.00 0.64 N ATOM 241 CA ARG A 31 7.435 -6.634 -5.355 1.00 0.75 C ATOM 242 C ARG A 31 6.677 -6.691 -4.019 1.00 0.55 C ATOM 243 O ARG A 31 6.304 -7.760 -3.553 1.00 0.76 O ATOM 244 CB ARG A 31 6.428 -6.695 -6.513 1.00 1.35 C ATOM 245 CG ARG A 31 5.417 -5.575 -6.464 1.00 2.13 C ATOM 246 CD ARG A 31 4.294 -5.749 -7.450 1.00 2.61 C ATOM 247 NE ARG A 31 4.697 -5.689 -8.844 1.00 3.25 N ATOM 248 CZ ARG A 31 3.911 -5.165 -9.799 1.00 3.86 C ATOM 249 NH1 ARG A 31 2.723 -4.619 -9.467 1.00 3.95 N ATOM 250 NH2 ARG A 31 4.308 -5.191 -11.075 1.00 4.71 N ATOM 0 H ARG A 31 8.017 -8.537 -5.943 1.00 0.64 H new ATOM 0 HA ARG A 31 7.992 -5.698 -5.400 1.00 0.75 H new ATOM 0 HB2 ARG A 31 6.966 -6.652 -7.460 1.00 1.35 H new ATOM 0 HB3 ARG A 31 5.906 -7.652 -6.486 1.00 1.35 H new ATOM 0 HG2 ARG A 31 5.002 -5.512 -5.458 1.00 2.13 H new ATOM 0 HG3 ARG A 31 5.922 -4.629 -6.661 1.00 2.13 H new ATOM 0 HD2 ARG A 31 3.812 -6.709 -7.266 1.00 2.61 H new ATOM 0 HD3 ARG A 31 3.546 -4.977 -7.268 1.00 2.61 H new ATOM 0 HE ARG A 31 5.611 -6.058 -9.108 1.00 3.25 H new ATOM 0 HH11 ARG A 31 2.423 -4.605 -8.492 1.00 3.95 H new ATOM 0 HH12 ARG A 31 2.125 -4.221 -10.191 1.00 3.95 H new ATOM 0 HH21 ARG A 31 5.206 -5.608 -11.321 1.00 4.71 H new ATOM 0 HH22 ARG A 31 3.713 -4.794 -11.802 1.00 4.71 H new ATOM 264 N TYR A 32 6.472 -5.546 -3.424 1.00 0.47 N ATOM 265 CA TYR A 32 5.673 -5.391 -2.228 1.00 0.59 C ATOM 266 C TYR A 32 4.768 -4.211 -2.370 1.00 0.56 C ATOM 267 O TYR A 32 5.228 -3.087 -2.576 1.00 0.69 O ATOM 268 CB TYR A 32 6.523 -5.221 -0.968 1.00 0.84 C ATOM 269 CG TYR A 32 7.300 -6.432 -0.559 1.00 1.16 C ATOM 270 CD1 TYR A 32 6.700 -7.424 0.208 1.00 1.70 C ATOM 271 CD2 TYR A 32 8.621 -6.588 -0.920 1.00 1.32 C ATOM 272 CE1 TYR A 32 7.399 -8.539 0.603 1.00 2.32 C ATOM 273 CE2 TYR A 32 9.333 -7.701 -0.529 1.00 1.86 C ATOM 274 CZ TYR A 32 8.718 -8.673 0.231 1.00 2.34 C ATOM 275 OH TYR A 32 9.425 -9.781 0.620 1.00 3.01 O ATOM 0 H TYR A 32 6.865 -4.668 -3.764 1.00 0.47 H new ATOM 0 HA TYR A 32 5.093 -6.307 -2.115 1.00 0.59 H new ATOM 0 HB2 TYR A 32 7.220 -4.398 -1.127 1.00 0.84 H new ATOM 0 HB3 TYR A 32 5.870 -4.932 -0.144 1.00 0.84 H new ATOM 0 HD1 TYR A 32 5.665 -7.316 0.499 1.00 1.70 H new ATOM 0 HD2 TYR A 32 9.104 -5.828 -1.517 1.00 1.32 H new ATOM 0 HE1 TYR A 32 6.919 -9.302 1.199 1.00 2.32 H new ATOM 0 HE2 TYR A 32 10.368 -7.811 -0.817 1.00 1.86 H new ATOM 0 HH TYR A 32 10.340 -9.723 0.275 1.00 3.01 H new ATOM 285 N GLU A 33 3.498 -4.451 -2.269 1.00 0.53 N ATOM 286 CA GLU A 33 2.508 -3.413 -2.369 1.00 0.52 C ATOM 287 C GLU A 33 1.645 -3.481 -1.131 1.00 0.42 C ATOM 288 O GLU A 33 1.397 -4.580 -0.621 1.00 0.51 O ATOM 289 CB GLU A 33 1.689 -3.586 -3.644 1.00 0.74 C ATOM 290 CG GLU A 33 2.562 -3.597 -4.903 1.00 1.40 C ATOM 291 CD GLU A 33 1.805 -3.761 -6.189 1.00 1.81 C ATOM 292 OE1 GLU A 33 1.547 -4.898 -6.581 1.00 2.45 O ATOM 293 OE2 GLU A 33 1.408 -2.751 -6.791 1.00 2.23 O ATOM 0 H GLU A 33 3.111 -5.382 -2.113 1.00 0.53 H new ATOM 0 HA GLU A 33 2.976 -2.431 -2.428 1.00 0.52 H new ATOM 0 HB2 GLU A 33 1.126 -4.518 -3.587 1.00 0.74 H new ATOM 0 HB3 GLU A 33 0.961 -2.778 -3.717 1.00 0.74 H new ATOM 0 HG2 GLU A 33 3.126 -2.665 -4.946 1.00 1.40 H new ATOM 0 HG3 GLU A 33 3.288 -4.406 -4.819 1.00 1.40 H new ATOM 300 N GLY A 34 1.224 -2.349 -0.626 1.00 0.40 N ATOM 301 CA GLY A 34 0.525 -2.330 0.615 1.00 0.43 C ATOM 302 C GLY A 34 0.567 -0.965 1.176 1.00 0.36 C ATOM 303 O GLY A 34 0.565 0.013 0.415 1.00 0.45 O ATOM 0 H GLY A 34 1.357 -1.436 -1.060 1.00 0.40 H new ATOM 0 HA2 GLY A 34 -0.508 -2.644 0.469 1.00 0.43 H new ATOM 0 HA3 GLY A 34 0.977 -3.036 1.311 1.00 0.43 H new ATOM 307 N ILE A 35 0.620 -0.855 2.476 1.00 0.35 N ATOM 308 CA ILE A 35 0.705 0.408 3.076 1.00 0.39 C ATOM 309 C ILE A 35 2.003 0.673 3.785 1.00 0.40 C ATOM 310 O ILE A 35 2.429 -0.071 4.677 1.00 0.61 O ATOM 311 CB ILE A 35 -0.494 0.831 3.955 1.00 0.49 C ATOM 312 CG1 ILE A 35 -0.988 -0.256 4.918 1.00 0.69 C ATOM 313 CG2 ILE A 35 -1.615 1.371 3.122 1.00 0.79 C ATOM 314 CD1 ILE A 35 -1.768 -1.392 4.276 1.00 0.93 C ATOM 0 H ILE A 35 0.604 -1.641 3.125 1.00 0.35 H new ATOM 0 HA ILE A 35 0.666 1.055 2.199 1.00 0.39 H new ATOM 0 HB ILE A 35 -0.115 1.629 4.593 1.00 0.49 H new ATOM 0 HG12 ILE A 35 -0.126 -0.677 5.436 1.00 0.69 H new ATOM 0 HG13 ILE A 35 -1.618 0.212 5.675 1.00 0.69 H new ATOM 0 HG21 ILE A 35 -2.443 1.660 3.769 1.00 0.79 H new ATOM 0 HG22 ILE A 35 -1.268 2.242 2.566 1.00 0.79 H new ATOM 0 HG23 ILE A 35 -1.951 0.605 2.423 1.00 0.79 H new ATOM 0 HD11 ILE A 35 -2.070 -2.105 5.043 1.00 0.93 H new ATOM 0 HD12 ILE A 35 -2.654 -0.992 3.783 1.00 0.93 H new ATOM 0 HD13 ILE A 35 -1.140 -1.895 3.541 1.00 0.93 H new ATOM 326 N LEU A 36 2.629 1.709 3.342 1.00 0.33 N ATOM 327 CA LEU A 36 3.824 2.250 3.937 1.00 0.40 C ATOM 328 C LEU A 36 3.461 2.844 5.295 1.00 0.41 C ATOM 329 O LEU A 36 2.423 3.510 5.435 1.00 0.44 O ATOM 330 CB LEU A 36 4.451 3.305 2.962 1.00 0.56 C ATOM 331 CG LEU A 36 5.737 4.071 3.380 1.00 0.78 C ATOM 332 CD1 LEU A 36 5.468 5.124 4.443 1.00 1.55 C ATOM 333 CD2 LEU A 36 6.788 3.095 3.858 1.00 1.72 C ATOM 0 H LEU A 36 2.317 2.230 2.523 1.00 0.33 H new ATOM 0 HA LEU A 36 4.575 1.477 4.100 1.00 0.40 H new ATOM 0 HB2 LEU A 36 4.667 2.794 2.024 1.00 0.56 H new ATOM 0 HB3 LEU A 36 3.683 4.049 2.750 1.00 0.56 H new ATOM 0 HG LEU A 36 6.102 4.598 2.498 1.00 0.78 H new ATOM 0 HD11 LEU A 36 6.399 5.629 4.699 1.00 1.55 H new ATOM 0 HD12 LEU A 36 4.753 5.853 4.061 1.00 1.55 H new ATOM 0 HD13 LEU A 36 5.058 4.646 5.333 1.00 1.55 H new ATOM 0 HD21 LEU A 36 7.686 3.641 4.149 1.00 1.72 H new ATOM 0 HD22 LEU A 36 6.407 2.541 4.715 1.00 1.72 H new ATOM 0 HD23 LEU A 36 7.031 2.399 3.055 1.00 1.72 H new ATOM 345 N TYR A 37 4.295 2.589 6.280 1.00 0.44 N ATOM 346 CA TYR A 37 4.052 3.048 7.624 1.00 0.50 C ATOM 347 C TYR A 37 4.966 4.231 7.979 1.00 0.52 C ATOM 348 O TYR A 37 4.505 5.256 8.499 1.00 0.64 O ATOM 349 CB TYR A 37 4.253 1.871 8.590 1.00 0.59 C ATOM 350 CG TYR A 37 4.011 2.174 10.054 1.00 0.68 C ATOM 351 CD1 TYR A 37 2.723 2.332 10.542 1.00 0.77 C ATOM 352 CD2 TYR A 37 5.074 2.311 10.943 1.00 0.78 C ATOM 353 CE1 TYR A 37 2.491 2.627 11.863 1.00 0.91 C ATOM 354 CE2 TYR A 37 4.851 2.598 12.272 1.00 0.91 C ATOM 355 CZ TYR A 37 3.574 2.704 12.743 1.00 0.95 C ATOM 356 OH TYR A 37 3.337 3.062 14.052 1.00 1.11 O ATOM 0 H TYR A 37 5.159 2.058 6.168 1.00 0.44 H new ATOM 0 HA TYR A 37 3.027 3.409 7.707 1.00 0.50 H new ATOM 0 HB2 TYR A 37 3.587 1.061 8.291 1.00 0.59 H new ATOM 0 HB3 TYR A 37 5.273 1.503 8.478 1.00 0.59 H new ATOM 0 HD1 TYR A 37 1.885 2.221 9.870 1.00 0.77 H new ATOM 0 HD2 TYR A 37 6.086 2.191 10.586 1.00 0.78 H new ATOM 0 HE1 TYR A 37 1.485 2.797 12.217 1.00 0.91 H new ATOM 0 HE2 TYR A 37 5.687 2.739 12.941 1.00 0.91 H new ATOM 0 HH TYR A 37 4.183 3.073 14.546 1.00 1.11 H new ATOM 366 N THR A 38 6.263 4.093 7.709 1.00 0.49 N ATOM 367 CA THR A 38 7.242 5.142 8.025 1.00 0.56 C ATOM 368 C THR A 38 8.493 4.955 7.146 1.00 0.56 C ATOM 369 O THR A 38 8.740 3.850 6.642 1.00 0.52 O ATOM 370 CB THR A 38 7.637 5.064 9.551 1.00 0.66 C ATOM 371 OG1 THR A 38 6.456 5.176 10.363 1.00 0.82 O ATOM 372 CG2 THR A 38 8.604 6.185 9.957 1.00 0.94 C ATOM 0 H THR A 38 6.665 3.264 7.271 1.00 0.49 H new ATOM 0 HA THR A 38 6.804 6.120 7.825 1.00 0.56 H new ATOM 0 HB THR A 38 8.131 4.105 9.705 1.00 0.66 H new ATOM 0 HG1 THR A 38 6.083 4.284 10.523 1.00 0.82 H new ATOM 0 HG21 THR A 38 8.847 6.090 11.015 1.00 0.94 H new ATOM 0 HG22 THR A 38 9.517 6.109 9.367 1.00 0.94 H new ATOM 0 HG23 THR A 38 8.135 7.153 9.778 1.00 0.94 H new ATOM 380 N ILE A 39 9.242 6.030 6.921 1.00 0.72 N ATOM 381 CA ILE A 39 10.492 5.963 6.190 1.00 0.79 C ATOM 382 C ILE A 39 11.527 6.730 6.956 1.00 1.01 C ATOM 383 O ILE A 39 11.382 7.951 7.166 1.00 1.31 O ATOM 384 CB ILE A 39 10.390 6.561 4.751 1.00 1.02 C ATOM 385 CG1 ILE A 39 9.315 5.828 3.950 1.00 1.15 C ATOM 386 CG2 ILE A 39 11.755 6.472 4.026 1.00 1.13 C ATOM 387 CD1 ILE A 39 9.129 6.351 2.542 1.00 1.45 C ATOM 0 H ILE A 39 8.996 6.967 7.241 1.00 0.72 H new ATOM 0 HA ILE A 39 10.757 4.911 6.085 1.00 0.79 H new ATOM 0 HB ILE A 39 10.112 7.612 4.832 1.00 1.02 H new ATOM 0 HG12 ILE A 39 9.571 4.770 3.902 1.00 1.15 H new ATOM 0 HG13 ILE A 39 8.367 5.903 4.482 1.00 1.15 H new ATOM 0 HG21 ILE A 39 11.663 6.894 3.025 1.00 1.13 H new ATOM 0 HG22 ILE A 39 12.503 7.031 4.588 1.00 1.13 H new ATOM 0 HG23 ILE A 39 12.061 5.428 3.954 1.00 1.13 H new ATOM 0 HD11 ILE A 39 8.349 5.778 2.041 1.00 1.45 H new ATOM 0 HD12 ILE A 39 8.840 7.401 2.579 1.00 1.45 H new ATOM 0 HD13 ILE A 39 10.064 6.251 1.990 1.00 1.45 H new ATOM 399 N ASP A 40 12.549 6.047 7.388 1.00 0.96 N ATOM 400 CA ASP A 40 13.627 6.689 8.114 1.00 1.24 C ATOM 401 C ASP A 40 14.508 7.347 7.101 1.00 1.25 C ATOM 402 O ASP A 40 15.368 6.709 6.520 1.00 1.13 O ATOM 403 CB ASP A 40 14.469 5.688 8.921 1.00 1.31 C ATOM 404 CG ASP A 40 13.672 4.838 9.860 1.00 2.02 C ATOM 405 OD1 ASP A 40 13.065 3.838 9.414 1.00 2.56 O ATOM 406 OD2 ASP A 40 13.623 5.174 11.061 1.00 2.48 O ATOM 0 H ASP A 40 12.666 5.043 7.254 1.00 0.96 H new ATOM 0 HA ASP A 40 13.200 7.399 8.823 1.00 1.24 H new ATOM 0 HB2 ASP A 40 15.007 5.040 8.229 1.00 1.31 H new ATOM 0 HB3 ASP A 40 15.219 6.237 9.491 1.00 1.31 H new ATOM 411 N THR A 41 14.278 8.606 6.875 1.00 1.54 N ATOM 412 CA THR A 41 14.985 9.371 5.867 1.00 1.72 C ATOM 413 C THR A 41 16.506 9.471 6.179 1.00 1.69 C ATOM 414 O THR A 41 17.304 9.717 5.293 1.00 1.85 O ATOM 415 CB THR A 41 14.353 10.764 5.776 1.00 2.15 C ATOM 416 OG1 THR A 41 12.933 10.596 5.615 1.00 2.76 O ATOM 417 CG2 THR A 41 14.887 11.544 4.574 1.00 2.54 C ATOM 0 H THR A 41 13.584 9.148 7.390 1.00 1.54 H new ATOM 0 HA THR A 41 14.896 8.860 4.908 1.00 1.72 H new ATOM 0 HB THR A 41 14.596 11.321 6.681 1.00 2.15 H new ATOM 0 HG1 THR A 41 12.504 11.475 5.556 1.00 2.76 H new ATOM 0 HG21 THR A 41 14.417 12.527 4.540 1.00 2.54 H new ATOM 0 HG22 THR A 41 15.967 11.661 4.667 1.00 2.54 H new ATOM 0 HG23 THR A 41 14.658 11.001 3.657 1.00 2.54 H new ATOM 425 N GLU A 42 16.891 9.230 7.431 1.00 1.61 N ATOM 426 CA GLU A 42 18.304 9.302 7.835 1.00 1.64 C ATOM 427 C GLU A 42 19.167 8.257 7.046 1.00 1.37 C ATOM 428 O GLU A 42 20.312 8.523 6.696 1.00 1.56 O ATOM 429 CB GLU A 42 18.460 9.041 9.347 1.00 1.77 C ATOM 430 CG GLU A 42 17.575 9.890 10.270 1.00 2.30 C ATOM 431 CD GLU A 42 17.742 11.370 10.077 1.00 2.79 C ATOM 432 OE1 GLU A 42 18.695 11.961 10.627 1.00 3.22 O ATOM 433 OE2 GLU A 42 16.904 11.963 9.406 1.00 3.21 O ATOM 0 H GLU A 42 16.250 8.983 8.185 1.00 1.61 H new ATOM 0 HA GLU A 42 18.655 10.308 7.605 1.00 1.64 H new ATOM 0 HB2 GLU A 42 18.247 7.989 9.538 1.00 1.77 H new ATOM 0 HB3 GLU A 42 19.502 9.210 9.619 1.00 1.77 H new ATOM 0 HG2 GLU A 42 16.531 9.626 10.100 1.00 2.30 H new ATOM 0 HG3 GLU A 42 17.802 9.640 11.306 1.00 2.30 H new ATOM 440 N ASN A 43 18.589 7.075 6.794 1.00 1.11 N ATOM 441 CA ASN A 43 19.292 5.988 6.062 1.00 1.14 C ATOM 442 C ASN A 43 18.452 5.529 4.859 1.00 1.21 C ATOM 443 O ASN A 43 18.871 4.707 4.060 1.00 1.44 O ATOM 444 CB ASN A 43 19.602 4.811 7.034 1.00 1.24 C ATOM 445 CG ASN A 43 20.456 3.686 6.422 1.00 1.60 C ATOM 446 OD1 ASN A 43 19.950 2.736 5.871 1.00 2.01 O ATOM 447 ND2 ASN A 43 21.763 3.792 6.551 1.00 2.26 N ATOM 0 H ASN A 43 17.639 6.838 7.081 1.00 1.11 H new ATOM 0 HA ASN A 43 20.240 6.362 5.676 1.00 1.14 H new ATOM 0 HB2 ASN A 43 20.117 5.206 7.910 1.00 1.24 H new ATOM 0 HB3 ASN A 43 18.660 4.387 7.383 1.00 1.24 H new ATOM 0 HD21 ASN A 43 22.373 3.062 6.182 1.00 2.26 H new ATOM 0 HD22 ASN A 43 22.165 4.604 7.020 1.00 2.26 H new ATOM 454 N SER A 44 17.272 6.124 4.743 1.00 1.16 N ATOM 455 CA SER A 44 16.298 5.852 3.677 1.00 1.40 C ATOM 456 C SER A 44 15.622 4.489 3.836 1.00 1.17 C ATOM 457 O SER A 44 15.007 3.978 2.889 1.00 1.36 O ATOM 458 CB SER A 44 16.934 6.004 2.284 1.00 1.82 C ATOM 459 OG SER A 44 17.440 7.320 2.113 1.00 2.28 O ATOM 0 H SER A 44 16.950 6.831 5.404 1.00 1.16 H new ATOM 0 HA SER A 44 15.514 6.603 3.771 1.00 1.40 H new ATOM 0 HB2 SER A 44 17.739 5.279 2.164 1.00 1.82 H new ATOM 0 HB3 SER A 44 16.194 5.789 1.513 1.00 1.82 H new ATOM 0 HG SER A 44 17.843 7.402 1.224 1.00 2.28 H new ATOM 465 N THR A 45 15.677 3.932 5.035 1.00 0.90 N ATOM 466 CA THR A 45 15.073 2.653 5.283 1.00 0.79 C ATOM 467 C THR A 45 13.544 2.753 5.274 1.00 0.71 C ATOM 468 O THR A 45 12.952 3.661 5.885 1.00 0.86 O ATOM 469 CB THR A 45 15.579 2.013 6.576 1.00 0.92 C ATOM 470 OG1 THR A 45 15.422 2.915 7.680 1.00 1.10 O ATOM 471 CG2 THR A 45 17.036 1.646 6.446 1.00 1.21 C ATOM 0 H THR A 45 16.135 4.352 5.844 1.00 0.90 H new ATOM 0 HA THR A 45 15.374 1.996 4.467 1.00 0.79 H new ATOM 0 HB THR A 45 14.991 1.113 6.757 1.00 0.92 H new ATOM 0 HG1 THR A 45 14.485 2.921 7.967 1.00 1.10 H new ATOM 0 HG21 THR A 45 17.381 1.192 7.375 1.00 1.21 H new ATOM 0 HG22 THR A 45 17.161 0.938 5.627 1.00 1.21 H new ATOM 0 HG23 THR A 45 17.620 2.543 6.242 1.00 1.21 H new ATOM 479 N VAL A 46 12.923 1.837 4.578 1.00 0.55 N ATOM 480 CA VAL A 46 11.497 1.870 4.368 1.00 0.53 C ATOM 481 C VAL A 46 10.807 0.861 5.299 1.00 0.46 C ATOM 482 O VAL A 46 11.145 -0.337 5.292 1.00 0.56 O ATOM 483 CB VAL A 46 11.173 1.553 2.877 1.00 0.65 C ATOM 484 CG1 VAL A 46 9.706 1.704 2.575 1.00 0.88 C ATOM 485 CG2 VAL A 46 11.991 2.436 1.943 1.00 0.70 C ATOM 0 H VAL A 46 13.392 1.045 4.139 1.00 0.55 H new ATOM 0 HA VAL A 46 11.122 2.867 4.600 1.00 0.53 H new ATOM 0 HB VAL A 46 11.444 0.511 2.708 1.00 0.65 H new ATOM 0 HG11 VAL A 46 9.525 1.474 1.525 1.00 0.88 H new ATOM 0 HG12 VAL A 46 9.133 1.019 3.201 1.00 0.88 H new ATOM 0 HG13 VAL A 46 9.396 2.729 2.780 1.00 0.88 H new ATOM 0 HG21 VAL A 46 11.747 2.195 0.908 1.00 0.70 H new ATOM 0 HG22 VAL A 46 11.759 3.483 2.137 1.00 0.70 H new ATOM 0 HG23 VAL A 46 13.053 2.262 2.115 1.00 0.70 H new ATOM 495 N ALA A 47 9.880 1.349 6.113 1.00 0.46 N ATOM 496 CA ALA A 47 9.151 0.513 7.058 1.00 0.47 C ATOM 497 C ALA A 47 7.718 0.241 6.577 1.00 0.42 C ATOM 498 O ALA A 47 6.888 1.165 6.470 1.00 0.40 O ATOM 499 CB ALA A 47 9.131 1.171 8.427 1.00 0.51 C ATOM 0 H ALA A 47 9.613 2.333 6.137 1.00 0.46 H new ATOM 0 HA ALA A 47 9.666 -0.445 7.128 1.00 0.47 H new ATOM 0 HB1 ALA A 47 8.584 0.539 9.127 1.00 0.51 H new ATOM 0 HB2 ALA A 47 10.153 1.305 8.781 1.00 0.51 H new ATOM 0 HB3 ALA A 47 8.642 2.142 8.357 1.00 0.51 H new ATOM 505 N LEU A 48 7.441 -1.011 6.302 1.00 0.49 N ATOM 506 CA LEU A 48 6.137 -1.460 5.822 1.00 0.55 C ATOM 507 C LEU A 48 5.361 -2.154 6.905 1.00 0.55 C ATOM 508 O LEU A 48 5.917 -2.930 7.658 1.00 0.66 O ATOM 509 CB LEU A 48 6.307 -2.422 4.660 1.00 0.77 C ATOM 510 CG LEU A 48 6.400 -1.852 3.245 1.00 1.04 C ATOM 511 CD1 LEU A 48 5.076 -1.242 2.827 1.00 1.75 C ATOM 512 CD2 LEU A 48 7.496 -0.838 3.146 1.00 1.48 C ATOM 0 H LEU A 48 8.120 -1.766 6.404 1.00 0.49 H new ATOM 0 HA LEU A 48 5.588 -0.574 5.503 1.00 0.55 H new ATOM 0 HB2 LEU A 48 7.210 -3.004 4.842 1.00 0.77 H new ATOM 0 HB3 LEU A 48 5.469 -3.118 4.682 1.00 0.77 H new ATOM 0 HG LEU A 48 6.634 -2.673 2.567 1.00 1.04 H new ATOM 0 HD11 LEU A 48 5.163 -0.842 1.817 1.00 1.75 H new ATOM 0 HD12 LEU A 48 4.300 -2.007 2.849 1.00 1.75 H new ATOM 0 HD13 LEU A 48 4.813 -0.438 3.514 1.00 1.75 H new ATOM 0 HD21 LEU A 48 7.540 -0.448 2.129 1.00 1.48 H new ATOM 0 HD22 LEU A 48 7.299 -0.020 3.840 1.00 1.48 H new ATOM 0 HD23 LEU A 48 8.448 -1.306 3.397 1.00 1.48 H new ATOM 524 N ALA A 49 4.062 -1.908 6.947 1.00 0.54 N ATOM 525 CA ALA A 49 3.194 -2.507 7.940 1.00 0.59 C ATOM 526 C ALA A 49 1.798 -2.659 7.368 1.00 0.53 C ATOM 527 O ALA A 49 1.293 -1.725 6.745 1.00 0.69 O ATOM 528 CB ALA A 49 3.154 -1.642 9.199 1.00 0.76 C ATOM 0 H ALA A 49 3.583 -1.288 6.294 1.00 0.54 H new ATOM 0 HA ALA A 49 3.583 -3.490 8.207 1.00 0.59 H new ATOM 0 HB1 ALA A 49 2.498 -2.104 9.937 1.00 0.76 H new ATOM 0 HB2 ALA A 49 4.159 -1.553 9.612 1.00 0.76 H new ATOM 0 HB3 ALA A 49 2.776 -0.651 8.948 1.00 0.76 H new ATOM 534 N LYS A 50 1.168 -3.831 7.605 1.00 0.55 N ATOM 535 CA LYS A 50 -0.212 -4.167 7.118 1.00 0.70 C ATOM 536 C LYS A 50 -0.195 -4.366 5.594 1.00 0.60 C ATOM 537 O LYS A 50 -1.217 -4.286 4.932 1.00 0.74 O ATOM 538 CB LYS A 50 -1.218 -3.038 7.480 1.00 0.98 C ATOM 539 CG LYS A 50 -1.119 -2.547 8.914 1.00 1.44 C ATOM 540 CD LYS A 50 -2.122 -1.451 9.238 1.00 1.95 C ATOM 541 CE LYS A 50 -1.986 -0.223 8.331 1.00 2.92 C ATOM 542 NZ LYS A 50 -0.629 0.402 8.385 1.00 3.63 N ATOM 0 H LYS A 50 1.596 -4.584 8.143 1.00 0.55 H new ATOM 0 HA LYS A 50 -0.530 -5.088 7.606 1.00 0.70 H new ATOM 0 HB2 LYS A 50 -1.057 -2.195 6.808 1.00 0.98 H new ATOM 0 HB3 LYS A 50 -2.231 -3.399 7.301 1.00 0.98 H new ATOM 0 HG2 LYS A 50 -1.275 -3.387 9.591 1.00 1.44 H new ATOM 0 HG3 LYS A 50 -0.111 -2.174 9.096 1.00 1.44 H new ATOM 0 HD2 LYS A 50 -3.131 -1.852 9.147 1.00 1.95 H new ATOM 0 HD3 LYS A 50 -1.993 -1.144 10.276 1.00 1.95 H new ATOM 0 HE2 LYS A 50 -2.205 -0.513 7.303 1.00 2.92 H new ATOM 0 HE3 LYS A 50 -2.732 0.518 8.619 1.00 2.92 H new ATOM 0 HZ1 LYS A 50 -0.656 1.331 7.918 1.00 3.63 H new ATOM 0 HZ2 LYS A 50 -0.341 0.521 9.377 1.00 3.63 H new ATOM 0 HZ3 LYS A 50 0.055 -0.211 7.897 1.00 3.63 H new ATOM 556 N VAL A 51 0.971 -4.693 5.090 1.00 0.64 N ATOM 557 CA VAL A 51 1.235 -4.803 3.646 1.00 0.54 C ATOM 558 C VAL A 51 0.483 -5.991 3.098 1.00 0.72 C ATOM 559 O VAL A 51 0.758 -7.130 3.498 1.00 1.07 O ATOM 560 CB VAL A 51 2.735 -5.121 3.412 1.00 0.78 C ATOM 561 CG1 VAL A 51 3.153 -5.066 1.933 1.00 1.52 C ATOM 562 CG2 VAL A 51 3.609 -4.272 4.272 1.00 1.44 C ATOM 0 H VAL A 51 1.787 -4.897 5.668 1.00 0.64 H new ATOM 0 HA VAL A 51 0.940 -3.868 3.170 1.00 0.54 H new ATOM 0 HB VAL A 51 2.875 -6.159 3.712 1.00 0.78 H new ATOM 0 HG11 VAL A 51 4.214 -5.299 1.846 1.00 1.52 H new ATOM 0 HG12 VAL A 51 2.574 -5.793 1.364 1.00 1.52 H new ATOM 0 HG13 VAL A 51 2.967 -4.067 1.539 1.00 1.52 H new ATOM 0 HG21 VAL A 51 4.654 -4.519 4.085 1.00 1.44 H new ATOM 0 HG22 VAL A 51 3.437 -3.221 4.040 1.00 1.44 H new ATOM 0 HG23 VAL A 51 3.375 -4.455 5.321 1.00 1.44 H new ATOM 572 N ARG A 52 -0.436 -5.759 2.191 1.00 0.93 N ATOM 573 CA ARG A 52 -1.200 -6.843 1.646 1.00 1.36 C ATOM 574 C ARG A 52 -1.913 -6.336 0.406 1.00 1.77 C ATOM 575 O ARG A 52 -1.776 -5.168 0.066 1.00 2.15 O ATOM 576 CB ARG A 52 -2.202 -7.347 2.694 1.00 1.98 C ATOM 577 CG ARG A 52 -2.415 -8.848 2.661 1.00 2.57 C ATOM 578 CD ARG A 52 -3.381 -9.302 3.737 1.00 3.14 C ATOM 579 NE ARG A 52 -3.343 -10.755 3.881 1.00 3.81 N ATOM 580 CZ ARG A 52 -4.383 -11.582 3.798 1.00 4.54 C ATOM 581 NH1 ARG A 52 -5.612 -11.103 3.516 1.00 4.84 N ATOM 582 NH2 ARG A 52 -4.199 -12.886 3.964 1.00 5.32 N ATOM 0 H ARG A 52 -0.668 -4.837 1.821 1.00 0.93 H new ATOM 0 HA ARG A 52 -0.553 -7.678 1.377 1.00 1.36 H new ATOM 0 HB2 ARG A 52 -1.852 -7.060 3.686 1.00 1.98 H new ATOM 0 HB3 ARG A 52 -3.159 -6.850 2.537 1.00 1.98 H new ATOM 0 HG2 ARG A 52 -2.797 -9.140 1.683 1.00 2.57 H new ATOM 0 HG3 ARG A 52 -1.459 -9.354 2.794 1.00 2.57 H new ATOM 0 HD2 ARG A 52 -3.125 -8.830 4.686 1.00 3.14 H new ATOM 0 HD3 ARG A 52 -4.392 -8.982 3.484 1.00 3.14 H new ATOM 0 HE ARG A 52 -2.432 -11.177 4.063 1.00 3.81 H new ATOM 0 HH11 ARG A 52 -5.748 -10.103 3.365 1.00 4.84 H new ATOM 0 HH12 ARG A 52 -6.406 -11.740 3.453 1.00 4.84 H new ATOM 0 HH21 ARG A 52 -3.265 -13.249 4.154 1.00 5.32 H new ATOM 0 HH22 ARG A 52 -4.992 -13.525 3.902 1.00 5.32 H new ATOM 920 N TYR A 74 4.212 -7.508 7.818 1.00 2.52 N ATOM 921 CA TYR A 74 5.132 -6.330 7.768 1.00 1.62 C ATOM 922 C TYR A 74 6.607 -6.710 7.540 1.00 1.55 C ATOM 923 O TYR A 74 7.069 -7.755 8.007 1.00 2.04 O ATOM 924 CB TYR A 74 5.039 -5.526 9.060 1.00 1.64 C ATOM 925 CG TYR A 74 5.608 -6.237 10.278 1.00 2.33 C ATOM 926 CD1 TYR A 74 4.923 -7.268 10.871 1.00 2.84 C ATOM 927 CD2 TYR A 74 6.827 -5.850 10.815 1.00 3.09 C ATOM 928 CE1 TYR A 74 5.428 -7.930 11.980 1.00 3.84 C ATOM 929 CE2 TYR A 74 7.352 -6.495 11.924 1.00 4.10 C ATOM 930 CZ TYR A 74 6.647 -7.538 12.507 1.00 4.41 C ATOM 931 OH TYR A 74 7.160 -8.184 13.608 1.00 5.54 O ATOM 0 HA TYR A 74 4.804 -5.739 6.913 1.00 1.62 H new ATOM 0 HB2 TYR A 74 5.566 -4.581 8.926 1.00 1.64 H new ATOM 0 HB3 TYR A 74 3.993 -5.284 9.250 1.00 1.64 H new ATOM 0 HD1 TYR A 74 3.969 -7.571 10.465 1.00 2.84 H new ATOM 0 HD2 TYR A 74 7.374 -5.036 10.363 1.00 3.09 H new ATOM 0 HE1 TYR A 74 4.876 -8.743 12.428 1.00 3.84 H new ATOM 0 HE2 TYR A 74 8.304 -6.188 12.332 1.00 4.10 H new ATOM 0 HH TYR A 74 8.023 -7.786 13.848 1.00 5.54 H new ATOM 941 N ILE A 75 7.340 -5.828 6.855 1.00 1.22 N ATOM 942 CA ILE A 75 8.752 -6.046 6.557 1.00 1.39 C ATOM 943 C ILE A 75 9.491 -4.703 6.545 1.00 0.98 C ATOM 944 O ILE A 75 8.882 -3.656 6.322 1.00 1.15 O ATOM 945 CB ILE A 75 9.026 -6.811 5.190 1.00 2.16 C ATOM 946 CG1 ILE A 75 8.544 -6.039 3.931 1.00 2.78 C ATOM 947 CG2 ILE A 75 8.431 -8.211 5.209 1.00 2.77 C ATOM 948 CD1 ILE A 75 7.044 -5.858 3.791 1.00 3.80 C ATOM 0 H ILE A 75 6.971 -4.948 6.494 1.00 1.22 H new ATOM 0 HA ILE A 75 9.126 -6.696 7.348 1.00 1.39 H new ATOM 0 HB ILE A 75 10.111 -6.883 5.113 1.00 2.16 H new ATOM 0 HG12 ILE A 75 9.009 -5.053 3.934 1.00 2.78 H new ATOM 0 HG13 ILE A 75 8.910 -6.562 3.047 1.00 2.78 H new ATOM 0 HG21 ILE A 75 8.636 -8.706 4.260 1.00 2.77 H new ATOM 0 HG22 ILE A 75 8.877 -8.785 6.022 1.00 2.77 H new ATOM 0 HG23 ILE A 75 7.353 -8.146 5.359 1.00 2.77 H new ATOM 0 HD11 ILE A 75 6.828 -5.306 2.876 1.00 3.80 H new ATOM 0 HD12 ILE A 75 6.562 -6.835 3.748 1.00 3.80 H new ATOM 0 HD13 ILE A 75 6.663 -5.303 4.648 1.00 3.80 H new ATOM 960 N ILE A 76 10.777 -4.739 6.792 1.00 0.97 N ATOM 961 CA ILE A 76 11.587 -3.536 6.823 1.00 0.87 C ATOM 962 C ILE A 76 12.656 -3.634 5.732 1.00 0.78 C ATOM 963 O ILE A 76 13.283 -4.689 5.558 1.00 1.17 O ATOM 964 CB ILE A 76 12.292 -3.373 8.212 1.00 1.64 C ATOM 965 CG1 ILE A 76 11.261 -3.377 9.366 1.00 2.14 C ATOM 966 CG2 ILE A 76 13.149 -2.102 8.261 1.00 1.87 C ATOM 967 CD1 ILE A 76 10.222 -2.269 9.304 1.00 2.42 C ATOM 0 H ILE A 76 11.295 -5.598 6.977 1.00 0.97 H new ATOM 0 HA ILE A 76 10.942 -2.673 6.656 1.00 0.87 H new ATOM 0 HB ILE A 76 12.954 -4.230 8.342 1.00 1.64 H new ATOM 0 HG12 ILE A 76 10.746 -4.338 9.369 1.00 2.14 H new ATOM 0 HG13 ILE A 76 11.797 -3.299 10.312 1.00 2.14 H new ATOM 0 HG21 ILE A 76 13.623 -2.021 9.239 1.00 1.87 H new ATOM 0 HG22 ILE A 76 13.916 -2.151 7.488 1.00 1.87 H new ATOM 0 HG23 ILE A 76 12.517 -1.230 8.091 1.00 1.87 H new ATOM 0 HD11 ILE A 76 9.546 -2.356 10.154 1.00 2.42 H new ATOM 0 HD12 ILE A 76 10.721 -1.300 9.335 1.00 2.42 H new ATOM 0 HD13 ILE A 76 9.653 -2.355 8.378 1.00 2.42 H new ATOM 979 N PHE A 77 12.856 -2.562 4.994 1.00 0.64 N ATOM 980 CA PHE A 77 13.838 -2.558 3.929 1.00 0.75 C ATOM 981 C PHE A 77 15.046 -1.734 4.296 1.00 0.68 C ATOM 982 O PHE A 77 14.945 -0.756 5.023 1.00 0.65 O ATOM 983 CB PHE A 77 13.250 -2.033 2.616 1.00 1.02 C ATOM 984 CG PHE A 77 12.112 -2.845 2.088 1.00 1.18 C ATOM 985 CD1 PHE A 77 12.349 -4.021 1.402 1.00 1.44 C ATOM 986 CD2 PHE A 77 10.808 -2.434 2.270 1.00 1.69 C ATOM 987 CE1 PHE A 77 11.311 -4.769 0.912 1.00 1.87 C ATOM 988 CE2 PHE A 77 9.764 -3.183 1.780 1.00 2.31 C ATOM 989 CZ PHE A 77 10.019 -4.349 1.101 1.00 2.30 C ATOM 0 H PHE A 77 12.352 -1.683 5.112 1.00 0.64 H new ATOM 0 HA PHE A 77 14.143 -3.595 3.787 1.00 0.75 H new ATOM 0 HB2 PHE A 77 12.912 -1.008 2.766 1.00 1.02 H new ATOM 0 HB3 PHE A 77 14.039 -2.001 1.864 1.00 1.02 H new ATOM 0 HD1 PHE A 77 13.365 -4.355 1.250 1.00 1.44 H new ATOM 0 HD2 PHE A 77 10.605 -1.516 2.802 1.00 1.69 H new ATOM 0 HE1 PHE A 77 11.509 -5.687 0.378 1.00 1.87 H new ATOM 0 HE2 PHE A 77 8.746 -2.855 1.929 1.00 2.31 H new ATOM 0 HZ PHE A 77 9.200 -4.937 0.715 1.00 2.30 H new ATOM 999 N ARG A 78 16.190 -2.136 3.764 1.00 0.76 N ATOM 1000 CA ARG A 78 17.467 -1.447 3.976 1.00 0.80 C ATOM 1001 C ARG A 78 17.488 -0.054 3.321 1.00 0.71 C ATOM 1002 O ARG A 78 18.394 0.729 3.554 1.00 1.01 O ATOM 1003 CB ARG A 78 18.608 -2.285 3.413 1.00 1.04 C ATOM 1004 CG ARG A 78 18.808 -3.646 4.060 1.00 1.36 C ATOM 1005 CD ARG A 78 19.176 -3.499 5.519 1.00 1.38 C ATOM 1006 NE ARG A 78 19.479 -4.791 6.153 1.00 2.06 N ATOM 1007 CZ ARG A 78 20.258 -4.959 7.239 1.00 2.69 C ATOM 1008 NH1 ARG A 78 20.858 -3.907 7.816 1.00 3.02 N ATOM 1009 NH2 ARG A 78 20.454 -6.175 7.727 1.00 3.45 N ATOM 0 H ARG A 78 16.265 -2.958 3.165 1.00 0.76 H new ATOM 0 HA ARG A 78 17.591 -1.315 5.051 1.00 0.80 H new ATOM 0 HB2 ARG A 78 18.435 -2.432 2.347 1.00 1.04 H new ATOM 0 HB3 ARG A 78 19.533 -1.717 3.510 1.00 1.04 H new ATOM 0 HG2 ARG A 78 17.895 -4.235 3.968 1.00 1.36 H new ATOM 0 HG3 ARG A 78 19.593 -4.191 3.536 1.00 1.36 H new ATOM 0 HD2 ARG A 78 20.041 -2.842 5.608 1.00 1.38 H new ATOM 0 HD3 ARG A 78 18.355 -3.020 6.052 1.00 1.38 H new ATOM 0 HE ARG A 78 19.067 -5.626 5.737 1.00 2.06 H new ATOM 0 HH11 ARG A 78 20.726 -2.971 7.433 1.00 3.02 H new ATOM 0 HH12 ARG A 78 21.446 -4.043 8.638 1.00 3.02 H new ATOM 0 HH21 ARG A 78 20.016 -6.981 7.280 1.00 3.45 H new ATOM 0 HH22 ARG A 78 21.043 -6.306 8.549 1.00 3.45 H new ATOM 1023 N GLY A 79 16.504 0.225 2.482 1.00 0.66 N ATOM 1024 CA GLY A 79 16.384 1.541 1.871 1.00 0.72 C ATOM 1025 C GLY A 79 17.291 1.723 0.694 1.00 0.64 C ATOM 1026 O GLY A 79 16.838 1.837 -0.425 1.00 0.76 O ATOM 0 H GLY A 79 15.779 -0.438 2.208 1.00 0.66 H new ATOM 0 HA2 GLY A 79 15.352 1.697 1.555 1.00 0.72 H new ATOM 0 HA3 GLY A 79 16.608 2.304 2.617 1.00 0.72 H new ATOM 1030 N SER A 80 18.574 1.727 0.943 1.00 0.62 N ATOM 1031 CA SER A 80 19.587 1.831 -0.130 1.00 0.79 C ATOM 1032 C SER A 80 19.500 0.604 -1.102 1.00 0.77 C ATOM 1033 O SER A 80 20.003 0.623 -2.235 1.00 1.04 O ATOM 1034 CB SER A 80 20.989 1.919 0.517 1.00 0.94 C ATOM 1035 OG SER A 80 22.021 2.128 -0.435 1.00 1.64 O ATOM 0 H SER A 80 18.967 1.660 1.882 1.00 0.62 H new ATOM 0 HA SER A 80 19.400 2.728 -0.720 1.00 0.79 H new ATOM 0 HB2 SER A 80 20.999 2.733 1.242 1.00 0.94 H new ATOM 0 HB3 SER A 80 21.189 0.999 1.067 1.00 0.94 H new ATOM 0 HG SER A 80 22.885 2.178 0.025 1.00 1.64 H new ATOM 1041 N ASP A 81 18.806 -0.426 -0.643 1.00 0.61 N ATOM 1042 CA ASP A 81 18.652 -1.701 -1.338 1.00 0.76 C ATOM 1043 C ASP A 81 17.397 -1.763 -2.205 1.00 0.58 C ATOM 1044 O ASP A 81 17.053 -2.846 -2.733 1.00 0.63 O ATOM 1045 CB ASP A 81 18.563 -2.824 -0.313 1.00 0.99 C ATOM 1046 CG ASP A 81 19.857 -3.117 0.419 1.00 1.58 C ATOM 1047 OD1 ASP A 81 20.426 -2.168 0.997 1.00 1.92 O ATOM 1048 OD2 ASP A 81 20.309 -4.260 0.413 1.00 2.00 O ATOM 0 H ASP A 81 18.318 -0.400 0.252 1.00 0.61 H new ATOM 0 HA ASP A 81 19.520 -1.808 -1.989 1.00 0.76 H new ATOM 0 HB2 ASP A 81 17.797 -2.569 0.419 1.00 0.99 H new ATOM 0 HB3 ASP A 81 18.233 -3.732 -0.817 1.00 0.99 H new ATOM 1053 N ILE A 82 16.701 -0.656 -2.350 1.00 0.49 N ATOM 1054 CA ILE A 82 15.477 -0.657 -3.159 1.00 0.42 C ATOM 1055 C ILE A 82 15.793 -0.689 -4.646 1.00 0.38 C ATOM 1056 O ILE A 82 16.824 -0.178 -5.084 1.00 0.47 O ATOM 1057 CB ILE A 82 14.537 0.533 -2.837 1.00 0.49 C ATOM 1058 CG1 ILE A 82 15.269 1.879 -3.055 1.00 0.96 C ATOM 1059 CG2 ILE A 82 14.004 0.408 -1.408 1.00 0.89 C ATOM 1060 CD1 ILE A 82 14.436 3.107 -2.758 1.00 1.70 C ATOM 0 H ILE A 82 16.945 0.243 -1.933 1.00 0.49 H new ATOM 0 HA ILE A 82 14.945 -1.570 -2.892 1.00 0.42 H new ATOM 0 HB ILE A 82 13.686 0.509 -3.518 1.00 0.49 H new ATOM 0 HG12 ILE A 82 16.159 1.899 -2.426 1.00 0.96 H new ATOM 0 HG13 ILE A 82 15.609 1.929 -4.089 1.00 0.96 H new ATOM 0 HG21 ILE A 82 13.345 1.248 -1.191 1.00 0.89 H new ATOM 0 HG22 ILE A 82 13.449 -0.524 -1.307 1.00 0.89 H new ATOM 0 HG23 ILE A 82 14.839 0.411 -0.707 1.00 0.89 H new ATOM 0 HD11 ILE A 82 15.031 4.002 -2.939 1.00 1.70 H new ATOM 0 HD12 ILE A 82 13.559 3.117 -3.405 1.00 1.70 H new ATOM 0 HD13 ILE A 82 14.117 3.087 -1.716 1.00 1.70 H new ATOM 1072 N LYS A 83 14.933 -1.321 -5.412 1.00 0.34 N ATOM 1073 CA LYS A 83 15.135 -1.412 -6.827 1.00 0.36 C ATOM 1074 C LYS A 83 14.323 -0.365 -7.573 1.00 0.38 C ATOM 1075 O LYS A 83 14.840 0.305 -8.470 1.00 0.58 O ATOM 1076 CB LYS A 83 14.818 -2.821 -7.340 1.00 0.50 C ATOM 1077 CG LYS A 83 15.062 -2.994 -8.831 1.00 0.86 C ATOM 1078 CD LYS A 83 16.497 -2.662 -9.243 1.00 0.97 C ATOM 1079 CE LYS A 83 17.509 -3.638 -8.666 1.00 1.01 C ATOM 1080 NZ LYS A 83 17.341 -5.006 -9.225 1.00 1.59 N ATOM 0 H LYS A 83 14.087 -1.778 -5.071 1.00 0.34 H new ATOM 0 HA LYS A 83 16.189 -1.212 -7.021 1.00 0.36 H new ATOM 0 HB2 LYS A 83 15.426 -3.543 -6.794 1.00 0.50 H new ATOM 0 HB3 LYS A 83 13.776 -3.052 -7.121 1.00 0.50 H new ATOM 0 HG2 LYS A 83 14.837 -4.022 -9.114 1.00 0.86 H new ATOM 0 HG3 LYS A 83 14.374 -2.354 -9.383 1.00 0.86 H new ATOM 0 HD2 LYS A 83 16.570 -2.669 -10.331 1.00 0.97 H new ATOM 0 HD3 LYS A 83 16.742 -1.652 -8.913 1.00 0.97 H new ATOM 0 HE2 LYS A 83 18.518 -3.281 -8.876 1.00 1.01 H new ATOM 0 HE3 LYS A 83 17.402 -3.673 -7.582 1.00 1.01 H new ATOM 0 HZ1 LYS A 83 17.119 -5.670 -8.456 1.00 1.59 H new ATOM 0 HZ2 LYS A 83 16.565 -5.005 -9.917 1.00 1.59 H new ATOM 0 HZ3 LYS A 83 18.222 -5.300 -9.693 1.00 1.59 H new ATOM 1094 N ASP A 84 13.056 -0.196 -7.180 1.00 0.34 N ATOM 1095 CA ASP A 84 12.162 0.768 -7.860 1.00 0.44 C ATOM 1096 C ASP A 84 10.853 0.822 -7.098 1.00 0.48 C ATOM 1097 O ASP A 84 10.466 -0.171 -6.475 1.00 0.78 O ATOM 1098 CB ASP A 84 11.914 0.353 -9.340 1.00 0.77 C ATOM 1099 CG ASP A 84 11.296 1.459 -10.199 1.00 1.37 C ATOM 1100 OD1 ASP A 84 10.118 1.760 -10.028 1.00 2.22 O ATOM 1101 OD2 ASP A 84 12.029 2.037 -11.067 1.00 1.49 O ATOM 0 H ASP A 84 12.624 -0.702 -6.407 1.00 0.34 H new ATOM 0 HA ASP A 84 12.630 1.753 -7.873 1.00 0.44 H new ATOM 0 HB2 ASP A 84 12.861 0.047 -9.785 1.00 0.77 H new ATOM 0 HB3 ASP A 84 11.258 -0.517 -9.358 1.00 0.77 H new ATOM 1106 N LEU A 85 10.205 1.974 -7.086 1.00 0.48 N ATOM 1107 CA LEU A 85 8.955 2.130 -6.362 1.00 0.72 C ATOM 1108 C LEU A 85 8.121 3.266 -6.900 1.00 0.61 C ATOM 1109 O LEU A 85 8.652 4.241 -7.444 1.00 0.86 O ATOM 1110 CB LEU A 85 9.151 2.224 -4.801 1.00 1.47 C ATOM 1111 CG LEU A 85 9.936 3.410 -4.166 1.00 2.12 C ATOM 1112 CD1 LEU A 85 11.326 3.575 -4.739 1.00 2.79 C ATOM 1113 CD2 LEU A 85 9.147 4.703 -4.178 1.00 2.86 C ATOM 0 H LEU A 85 10.523 2.814 -7.569 1.00 0.48 H new ATOM 0 HA LEU A 85 8.393 1.213 -6.538 1.00 0.72 H new ATOM 0 HB2 LEU A 85 8.157 2.221 -4.353 1.00 1.47 H new ATOM 0 HB3 LEU A 85 9.646 1.306 -4.485 1.00 1.47 H new ATOM 0 HG LEU A 85 10.076 3.145 -3.118 1.00 2.12 H new ATOM 0 HD11 LEU A 85 11.821 4.417 -4.256 1.00 2.79 H new ATOM 0 HD12 LEU A 85 11.902 2.666 -4.564 1.00 2.79 H new ATOM 0 HD13 LEU A 85 11.258 3.760 -5.811 1.00 2.79 H new ATOM 0 HD21 LEU A 85 9.741 5.496 -3.724 1.00 2.86 H new ATOM 0 HD22 LEU A 85 8.907 4.973 -5.206 1.00 2.86 H new ATOM 0 HD23 LEU A 85 8.224 4.572 -3.613 1.00 2.86 H new ATOM 1125 N THR A 86 6.830 3.134 -6.749 1.00 0.61 N ATOM 1126 CA THR A 86 5.896 4.149 -7.107 1.00 0.83 C ATOM 1127 C THR A 86 4.925 4.346 -5.949 1.00 0.83 C ATOM 1128 O THR A 86 4.517 3.385 -5.299 1.00 0.91 O ATOM 1129 CB THR A 86 5.142 3.812 -8.436 1.00 1.18 C ATOM 1130 OG1 THR A 86 4.148 4.813 -8.732 1.00 1.88 O ATOM 1131 CG2 THR A 86 4.492 2.431 -8.392 1.00 1.64 C ATOM 0 H THR A 86 6.396 2.295 -6.364 1.00 0.61 H new ATOM 0 HA THR A 86 6.435 5.077 -7.295 1.00 0.83 H new ATOM 0 HB THR A 86 5.889 3.806 -9.230 1.00 1.18 H new ATOM 0 HG1 THR A 86 3.691 4.583 -9.568 1.00 1.88 H new ATOM 0 HG21 THR A 86 3.980 2.240 -9.335 1.00 1.64 H new ATOM 0 HG22 THR A 86 5.259 1.673 -8.235 1.00 1.64 H new ATOM 0 HG23 THR A 86 3.772 2.394 -7.574 1.00 1.64 H new ATOM 1139 N VAL A 87 4.601 5.577 -5.663 1.00 1.10 N ATOM 1140 CA VAL A 87 3.688 5.886 -4.582 1.00 1.29 C ATOM 1141 C VAL A 87 2.322 6.301 -5.119 1.00 1.44 C ATOM 1142 O VAL A 87 2.203 6.746 -6.274 1.00 1.74 O ATOM 1143 CB VAL A 87 4.240 7.030 -3.665 1.00 1.88 C ATOM 1144 CG1 VAL A 87 5.585 6.652 -3.050 1.00 2.70 C ATOM 1145 CG2 VAL A 87 4.362 8.352 -4.422 1.00 2.21 C ATOM 0 H VAL A 87 4.955 6.392 -6.164 1.00 1.10 H new ATOM 0 HA VAL A 87 3.587 4.976 -3.990 1.00 1.29 H new ATOM 0 HB VAL A 87 3.517 7.164 -2.860 1.00 1.88 H new ATOM 0 HG11 VAL A 87 5.939 7.468 -2.420 1.00 2.70 H new ATOM 0 HG12 VAL A 87 5.469 5.752 -2.447 1.00 2.70 H new ATOM 0 HG13 VAL A 87 6.309 6.466 -3.844 1.00 2.70 H new ATOM 0 HG21 VAL A 87 4.748 9.120 -3.752 1.00 2.21 H new ATOM 0 HG22 VAL A 87 5.044 8.228 -5.263 1.00 2.21 H new ATOM 0 HG23 VAL A 87 3.381 8.652 -4.791 1.00 2.21 H new