USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 556 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 Set 1.1: A 11 SER OG : rot 12:sc= 0.889 USER MOD Set 1.2: A 15 THR OG1 : rot 38:sc= 1.2! USER MOD Single : A 5 LYS NZ :NH3+ 137:sc= -0.152 (180deg=-0.883) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -34:sc= 1.16 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -29:sc= -0.168 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -23:sc= 0.315 USER MOD Single : A 60 TYR OH : rot 35:sc= 0.988! USER MOD Single : A 63 GLN : amide:sc= -0.0463 K(o=-0.046,f=-1.7!) USER MOD Single : A 65 LYS NZ :NH3+ 161:sc= -0.0384 (180deg=-0.53) USER MOD Single : A 67 GLN : amide:sc= -1.98! C(o=-2!,f=-0.86!) USER MOD ----------------------------------------------------------------- ATOM 54 N PRO A 4 -6.147 5.644 -1.049 1.00 0.00 N ATOM 55 CA PRO A 4 -5.113 5.302 -0.014 1.00 0.00 C ATOM 56 C PRO A 4 -4.576 6.525 0.741 1.00 0.00 C ATOM 57 O PRO A 4 -4.081 6.408 1.858 1.00 0.00 O ATOM 58 CB PRO A 4 -3.988 4.658 -0.835 1.00 0.00 C ATOM 59 CG PRO A 4 -4.677 4.041 -2.000 1.00 0.00 C ATOM 60 CD PRO A 4 -5.838 4.979 -2.342 1.00 0.00 C ATOM 0 HA PRO A 4 -5.532 4.661 0.762 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -3.256 5.400 -1.155 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -3.450 3.911 -0.252 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -3.997 3.936 -2.846 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -5.040 3.042 -1.756 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -5.556 5.703 -3.107 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -6.698 4.429 -2.725 1.00 0.00 H new ATOM 68 N LYS A 5 -4.698 7.694 0.136 1.00 0.00 N ATOM 69 CA LYS A 5 -4.243 8.921 0.783 1.00 0.00 C ATOM 70 C LYS A 5 -5.217 9.351 1.883 1.00 0.00 C ATOM 71 O LYS A 5 -4.827 9.712 2.988 1.00 0.00 O ATOM 72 CB LYS A 5 -4.147 10.041 -0.255 1.00 0.00 C ATOM 73 CG LYS A 5 -2.984 9.749 -1.211 1.00 0.00 C ATOM 74 CD LYS A 5 -3.053 10.663 -2.443 1.00 0.00 C ATOM 75 CE LYS A 5 -2.710 12.110 -2.064 1.00 0.00 C ATOM 76 NZ LYS A 5 -1.341 12.160 -1.478 1.00 0.00 N ATOM 0 H LYS A 5 -5.103 7.824 -0.791 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.266 8.731 1.228 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.081 10.117 -0.812 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.993 10.999 0.241 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.036 9.897 -0.694 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.017 8.705 -1.524 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.360 10.307 -3.205 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.052 10.622 -2.877 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.764 12.750 -2.945 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.438 12.492 -1.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.828 12.979 -1.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.409 12.249 -0.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.829 11.287 -1.718 1.00 0.00 H new ATOM 90 N THR A 6 -6.496 9.229 1.533 1.00 0.00 N ATOM 91 CA THR A 6 -7.633 9.510 2.420 1.00 0.00 C ATOM 92 C THR A 6 -7.906 8.328 3.368 1.00 0.00 C ATOM 93 O THR A 6 -8.388 8.485 4.491 1.00 0.00 O ATOM 94 CB THR A 6 -8.883 9.778 1.580 1.00 0.00 C ATOM 95 OG1 THR A 6 -8.641 10.877 0.714 1.00 0.00 O ATOM 96 CG2 THR A 6 -10.060 10.104 2.503 1.00 0.00 C ATOM 0 H THR A 6 -6.782 8.925 0.602 1.00 0.00 H new ATOM 0 HA THR A 6 -7.387 10.386 3.020 1.00 0.00 H new ATOM 0 HB THR A 6 -9.121 8.894 0.989 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.440 11.050 0.173 1.00 0.00 H new ATOM 0 HG21 THR A 6 -10.950 10.295 1.904 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.245 9.261 3.169 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.824 10.989 3.095 1.00 0.00 H new ATOM 104 N LEU A 7 -7.580 7.154 2.852 1.00 0.00 N ATOM 105 CA LEU A 7 -7.773 5.897 3.591 1.00 0.00 C ATOM 106 C LEU A 7 -6.841 5.806 4.824 1.00 0.00 C ATOM 107 O LEU A 7 -7.293 5.552 5.936 1.00 0.00 O ATOM 108 CB LEU A 7 -7.516 4.695 2.661 1.00 0.00 C ATOM 109 CG LEU A 7 -8.411 3.510 3.053 1.00 0.00 C ATOM 110 CD1 LEU A 7 -8.084 2.309 2.162 1.00 0.00 C ATOM 111 CD2 LEU A 7 -8.174 3.141 4.522 1.00 0.00 C ATOM 0 H LEU A 7 -7.179 7.035 1.922 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.804 5.879 3.945 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.711 4.979 1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.468 4.401 2.718 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.456 3.789 2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.718 1.467 2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.263 2.570 1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.038 2.033 2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.812 2.300 4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.129 2.865 4.664 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.412 3.996 5.155 1.00 0.00 H new ATOM 123 N LEU A 8 -5.551 6.035 4.601 1.00 0.00 N ATOM 124 CA LEU A 8 -4.498 6.018 5.635 1.00 0.00 C ATOM 125 C LEU A 8 -4.481 7.296 6.495 1.00 0.00 C ATOM 126 O LEU A 8 -3.977 7.318 7.618 1.00 0.00 O ATOM 127 CB LEU A 8 -3.126 5.851 4.949 1.00 0.00 C ATOM 128 CG LEU A 8 -2.837 4.366 4.673 1.00 0.00 C ATOM 129 CD1 LEU A 8 -3.960 3.761 3.830 1.00 0.00 C ATOM 130 CD2 LEU A 8 -1.512 4.245 3.917 1.00 0.00 C ATOM 0 H LEU A 8 -5.189 6.245 3.671 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.711 5.184 6.303 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.110 6.410 4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.343 6.268 5.583 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.775 3.829 5.620 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.746 2.709 3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.905 3.848 4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.031 4.294 2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.301 3.194 3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.581 4.786 2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.709 4.668 4.520 1.00 0.00 H new ATOM 142 N ARG A 9 -5.047 8.342 5.918 1.00 0.00 N ATOM 143 CA ARG A 9 -5.133 9.653 6.572 1.00 0.00 C ATOM 144 C ARG A 9 -6.083 9.636 7.777 1.00 0.00 C ATOM 145 O ARG A 9 -5.899 10.394 8.727 1.00 0.00 O ATOM 146 CB ARG A 9 -5.597 10.718 5.559 1.00 0.00 C ATOM 147 CG ARG A 9 -4.382 11.434 4.925 1.00 0.00 C ATOM 148 CD ARG A 9 -3.941 12.582 5.846 1.00 0.00 C ATOM 149 NE ARG A 9 -2.578 13.012 5.556 1.00 0.00 N ATOM 150 CZ ARG A 9 -1.982 13.895 6.353 1.00 0.00 C ATOM 151 NH1 ARG A 9 -2.625 14.390 7.374 1.00 0.00 N ATOM 152 NH2 ARG A 9 -0.753 14.264 6.113 1.00 0.00 N ATOM 0 H ARG A 9 -5.461 8.315 4.986 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.137 9.900 6.939 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.197 10.249 4.779 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.236 11.447 6.057 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.562 10.730 4.782 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.645 11.821 3.940 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.622 13.425 5.728 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.008 12.261 6.886 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.084 12.638 4.746 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.585 14.100 7.562 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.168 15.067 7.985 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.250 13.875 5.315 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.295 14.941 6.723 1.00 0.00 H new ATOM 166 N VAL A 10 -7.100 8.785 7.728 1.00 0.00 N ATOM 167 CA VAL A 10 -8.069 8.698 8.818 1.00 0.00 C ATOM 168 C VAL A 10 -7.478 8.073 10.083 1.00 0.00 C ATOM 169 O VAL A 10 -7.872 8.462 11.183 1.00 0.00 O ATOM 170 CB VAL A 10 -9.302 7.898 8.368 1.00 0.00 C ATOM 171 CG1 VAL A 10 -8.985 6.393 8.359 1.00 0.00 C ATOM 172 CG2 VAL A 10 -10.472 8.172 9.323 1.00 0.00 C ATOM 0 H VAL A 10 -7.277 8.148 6.951 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.359 9.719 9.067 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.575 8.208 7.359 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.866 5.837 8.039 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.163 6.198 7.670 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.701 6.075 9.362 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -11.345 7.604 9.002 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -10.195 7.871 10.333 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -10.708 9.236 9.313 1.00 0.00 H new ATOM 182 N SER A 11 -6.550 7.125 9.980 1.00 0.00 N ATOM 183 CA SER A 11 -5.994 6.541 11.198 1.00 0.00 C ATOM 184 C SER A 11 -5.095 7.528 11.942 1.00 0.00 C ATOM 185 O SER A 11 -5.293 7.743 13.108 1.00 0.00 O ATOM 186 CB SER A 11 -5.197 5.282 10.854 1.00 0.00 C ATOM 187 OG SER A 11 -4.649 4.734 12.046 1.00 0.00 O ATOM 0 H SER A 11 -6.179 6.756 9.104 1.00 0.00 H new ATOM 0 HA SER A 11 -6.828 6.287 11.852 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.842 4.551 10.367 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.400 5.523 10.151 1.00 0.00 H new ATOM 0 HG SER A 11 -5.061 5.165 12.824 1.00 0.00 H new ATOM 193 N ILE A 12 -4.106 8.101 11.287 1.00 0.00 N ATOM 194 CA ILE A 12 -3.204 9.017 12.008 1.00 0.00 C ATOM 195 C ILE A 12 -4.021 10.115 12.726 1.00 0.00 C ATOM 196 O ILE A 12 -3.809 10.454 13.889 1.00 0.00 O ATOM 197 CB ILE A 12 -2.208 9.659 11.023 1.00 0.00 C ATOM 198 CG1 ILE A 12 -1.072 10.334 11.804 1.00 0.00 C ATOM 199 CG2 ILE A 12 -2.905 10.711 10.162 1.00 0.00 C ATOM 200 CD1 ILE A 12 0.040 10.735 10.832 1.00 0.00 C ATOM 0 H ILE A 12 -3.899 7.966 10.297 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.649 8.449 12.754 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.809 8.875 10.379 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.447 11.213 12.328 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.681 9.654 12.561 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.185 11.153 9.473 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.709 10.242 9.595 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.319 11.490 10.803 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.849 11.215 11.383 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.421 9.847 10.328 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.357 11.430 10.092 1.00 0.00 H new ATOM 212 N ILE A 13 -4.963 10.609 11.957 1.00 0.00 N ATOM 213 CA ILE A 13 -5.891 11.655 12.415 1.00 0.00 C ATOM 214 C ILE A 13 -6.739 11.187 13.634 1.00 0.00 C ATOM 215 O ILE A 13 -6.852 11.905 14.627 1.00 0.00 O ATOM 216 CB ILE A 13 -6.822 12.101 11.273 1.00 0.00 C ATOM 217 CG1 ILE A 13 -6.007 12.847 10.208 1.00 0.00 C ATOM 218 CG2 ILE A 13 -7.902 13.040 11.825 1.00 0.00 C ATOM 219 CD1 ILE A 13 -6.864 13.085 8.960 1.00 0.00 C ATOM 0 H ILE A 13 -5.120 10.308 10.995 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.282 12.502 12.732 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.291 11.222 10.830 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.659 13.800 10.607 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.121 12.269 9.946 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.560 13.354 11.015 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -8.485 12.518 12.584 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.430 13.916 12.270 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.276 13.615 8.211 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.190 12.127 8.555 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.736 13.682 9.226 1.00 0.00 H new ATOM 231 N GLY A 14 -7.275 9.972 13.566 1.00 0.00 N ATOM 232 CA GLY A 14 -8.046 9.399 14.700 1.00 0.00 C ATOM 233 C GLY A 14 -7.126 8.695 15.735 1.00 0.00 C ATOM 234 O GLY A 14 -7.422 8.602 16.926 1.00 0.00 O ATOM 0 H GLY A 14 -7.200 9.360 12.754 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.607 10.192 15.194 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.775 8.684 14.318 1.00 0.00 H new ATOM 238 N THR A 15 -6.023 8.217 15.197 1.00 0.00 N ATOM 239 CA THR A 15 -4.978 7.496 15.956 1.00 0.00 C ATOM 240 C THR A 15 -4.105 8.426 16.797 1.00 0.00 C ATOM 241 O THR A 15 -3.566 8.007 17.821 1.00 0.00 O ATOM 242 CB THR A 15 -4.081 6.630 15.066 1.00 0.00 C ATOM 243 OG1 THR A 15 -4.884 5.752 14.288 1.00 0.00 O ATOM 244 CG2 THR A 15 -3.142 5.803 15.946 1.00 0.00 C ATOM 0 H THR A 15 -5.808 8.311 14.204 1.00 0.00 H new ATOM 0 HA THR A 15 -5.534 6.841 16.627 1.00 0.00 H new ATOM 0 HB THR A 15 -3.499 7.273 14.406 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.698 6.218 14.004 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.502 5.186 15.316 1.00 0.00 H new ATOM 0 HG22 THR A 15 -2.524 6.471 16.547 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.730 5.163 16.604 1.00 0.00 H new ATOM 252 N THR A 16 -3.963 9.681 16.382 1.00 0.00 N ATOM 253 CA THR A 16 -3.153 10.645 17.125 1.00 0.00 C ATOM 254 C THR A 16 -3.889 11.188 18.350 1.00 0.00 C ATOM 255 O THR A 16 -3.266 11.578 19.338 1.00 0.00 O ATOM 256 CB THR A 16 -2.713 11.795 16.208 1.00 0.00 C ATOM 257 OG1 THR A 16 -1.807 12.632 16.911 1.00 0.00 O ATOM 258 CG2 THR A 16 -3.924 12.621 15.757 1.00 0.00 C ATOM 0 H THR A 16 -4.396 10.055 15.538 1.00 0.00 H new ATOM 0 HA THR A 16 -2.268 10.119 17.484 1.00 0.00 H new ATOM 0 HB THR A 16 -2.229 11.376 15.326 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.522 13.367 16.329 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.591 13.431 15.108 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.618 11.981 15.212 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.425 13.039 16.630 1.00 0.00 H new ATOM 266 N LEU A 17 -5.217 11.253 18.260 1.00 0.00 N ATOM 267 CA LEU A 17 -6.074 11.789 19.318 1.00 0.00 C ATOM 268 C LEU A 17 -6.227 10.878 20.541 1.00 0.00 C ATOM 269 O LEU A 17 -6.534 11.383 21.621 1.00 0.00 O ATOM 270 CB LEU A 17 -7.472 12.121 18.728 1.00 0.00 C ATOM 271 CG LEU A 17 -7.617 13.633 18.467 1.00 0.00 C ATOM 272 CD1 LEU A 17 -6.563 14.101 17.457 1.00 0.00 C ATOM 273 CD2 LEU A 17 -9.020 13.913 17.917 1.00 0.00 C ATOM 0 H LEU A 17 -5.734 10.932 17.442 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.576 12.687 19.684 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.618 11.572 17.798 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.249 11.791 19.417 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.470 14.176 19.401 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.677 15.171 17.282 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.567 13.902 17.852 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.695 13.563 16.518 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.131 14.981 17.730 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.162 13.365 16.986 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.766 13.593 18.644 1.00 0.00 H new ATOM 285 N VAL A 18 -6.063 9.564 20.423 1.00 0.00 N ATOM 286 CA VAL A 18 -6.260 8.741 21.610 1.00 0.00 C ATOM 287 C VAL A 18 -5.305 9.192 22.712 1.00 0.00 C ATOM 288 O VAL A 18 -5.705 9.470 23.842 1.00 0.00 O ATOM 289 CB VAL A 18 -6.037 7.259 21.275 1.00 0.00 C ATOM 290 CG1 VAL A 18 -4.610 7.037 20.753 1.00 0.00 C ATOM 291 CG2 VAL A 18 -6.262 6.419 22.536 1.00 0.00 C ATOM 0 H VAL A 18 -5.809 9.068 19.569 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.285 8.860 21.961 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.741 6.958 20.500 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.468 5.982 20.520 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.455 7.631 19.852 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.892 7.340 21.515 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.105 5.366 22.304 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.560 6.729 23.310 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.282 6.564 22.893 1.00 0.00 H new ATOM 301 N ALA A 19 -4.025 9.220 22.351 1.00 0.00 N ATOM 302 CA ALA A 19 -2.949 9.589 23.263 1.00 0.00 C ATOM 303 C ALA A 19 -3.141 10.987 23.850 1.00 0.00 C ATOM 304 O ALA A 19 -2.753 11.244 24.991 1.00 0.00 O ATOM 305 CB ALA A 19 -1.612 9.535 22.523 1.00 0.00 C ATOM 0 H ALA A 19 -3.704 8.986 21.411 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.961 8.877 24.088 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.807 9.811 23.205 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.442 8.524 22.151 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.632 10.231 21.685 1.00 0.00 H new ATOM 311 N LEU A 20 -3.755 11.880 23.083 1.00 0.00 N ATOM 312 CA LEU A 20 -3.997 13.232 23.579 1.00 0.00 C ATOM 313 C LEU A 20 -4.986 13.190 24.746 1.00 0.00 C ATOM 314 O LEU A 20 -4.769 13.842 25.768 1.00 0.00 O ATOM 315 CB LEU A 20 -4.506 14.143 22.454 1.00 0.00 C ATOM 316 CG LEU A 20 -4.756 15.565 22.982 1.00 0.00 C ATOM 317 CD1 LEU A 20 -3.450 16.165 23.534 1.00 0.00 C ATOM 318 CD2 LEU A 20 -5.277 16.437 21.832 1.00 0.00 C ATOM 0 H LEU A 20 -4.088 11.700 22.136 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.056 13.649 23.938 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.777 14.173 21.644 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.428 13.736 22.038 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.491 15.529 23.786 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.640 17.172 23.905 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.079 15.543 24.348 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.704 16.206 22.740 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.458 17.449 22.196 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.536 16.466 21.033 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.207 16.017 21.450 1.00 0.00 H new ATOM 330 N SER A 21 -6.056 12.413 24.607 1.00 0.00 N ATOM 331 CA SER A 21 -7.038 12.301 25.686 1.00 0.00 C ATOM 332 C SER A 21 -6.481 11.423 26.804 1.00 0.00 C ATOM 333 O SER A 21 -7.015 11.373 27.901 1.00 0.00 O ATOM 334 CB SER A 21 -8.339 11.700 25.153 1.00 0.00 C ATOM 335 OG SER A 21 -8.123 10.338 24.807 1.00 0.00 O ATOM 0 H SER A 21 -6.265 11.860 23.776 1.00 0.00 H new ATOM 0 HA SER A 21 -7.244 13.296 26.081 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.123 11.775 25.907 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.680 12.258 24.281 1.00 0.00 H new ATOM 0 HG SER A 21 -7.210 10.227 24.468 1.00 0.00 H new ATOM 341 N SER A 22 -5.433 10.693 26.472 1.00 0.00 N ATOM 342 CA SER A 22 -4.806 9.768 27.417 1.00 0.00 C ATOM 343 C SER A 22 -3.922 10.502 28.440 1.00 0.00 C ATOM 344 O SER A 22 -3.574 9.964 29.491 1.00 0.00 O ATOM 345 CB SER A 22 -3.918 8.794 26.643 1.00 0.00 C ATOM 346 OG SER A 22 -3.596 7.689 27.477 1.00 0.00 O ATOM 0 H SER A 22 -4.991 10.718 25.553 1.00 0.00 H new ATOM 0 HA SER A 22 -5.603 9.251 27.951 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.432 8.450 25.746 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.007 9.295 26.316 1.00 0.00 H new ATOM 0 HG SER A 22 -3.028 7.061 26.983 1.00 0.00 H new ATOM 352 N PHE A 23 -3.569 11.742 28.091 1.00 0.00 N ATOM 353 CA PHE A 23 -2.714 12.551 28.981 1.00 0.00 C ATOM 354 C PHE A 23 -3.512 13.258 30.106 1.00 0.00 C ATOM 355 O PHE A 23 -3.013 13.321 31.229 1.00 0.00 O ATOM 356 CB PHE A 23 -1.908 13.577 28.162 1.00 0.00 C ATOM 357 CG PHE A 23 -0.648 12.943 27.586 1.00 0.00 C ATOM 358 CD1 PHE A 23 -0.675 11.640 27.074 1.00 0.00 C ATOM 359 CD2 PHE A 23 0.541 13.680 27.560 1.00 0.00 C ATOM 360 CE1 PHE A 23 0.487 11.074 26.536 1.00 0.00 C ATOM 361 CE2 PHE A 23 1.704 13.114 27.023 1.00 0.00 C ATOM 362 CZ PHE A 23 1.677 11.812 26.511 1.00 0.00 C ATOM 0 H PHE A 23 -3.849 12.203 27.225 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.028 11.861 29.472 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.525 13.969 27.353 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.638 14.422 28.795 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.593 11.071 27.094 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.562 14.685 27.954 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.466 10.069 26.141 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.622 13.683 27.004 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.574 11.376 26.096 1.00 0.00 H new ATOM 372 N THR A 24 -4.694 13.829 29.849 1.00 0.00 N ATOM 373 CA THR A 24 -5.414 14.548 30.922 1.00 0.00 C ATOM 374 C THR A 24 -5.939 13.643 32.063 1.00 0.00 C ATOM 375 O THR A 24 -5.938 14.052 33.224 1.00 0.00 O ATOM 376 CB THR A 24 -6.561 15.391 30.328 1.00 0.00 C ATOM 377 OG1 THR A 24 -6.006 16.440 29.547 1.00 0.00 O ATOM 378 CG2 THR A 24 -7.404 16.000 31.454 1.00 0.00 C ATOM 0 H THR A 24 -5.164 13.814 28.944 1.00 0.00 H new ATOM 0 HA THR A 24 -4.674 15.199 31.386 1.00 0.00 H new ATOM 0 HB THR A 24 -7.194 14.753 29.711 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.728 16.980 29.164 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.211 16.593 31.024 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.826 15.202 32.065 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.775 16.638 32.075 1.00 0.00 H new ATOM 386 N PRO A 25 -6.426 12.467 31.757 1.00 0.00 N ATOM 387 CA PRO A 25 -7.019 11.524 32.763 1.00 0.00 C ATOM 388 C PRO A 25 -6.201 11.338 34.040 1.00 0.00 C ATOM 389 O PRO A 25 -6.768 10.987 35.067 1.00 0.00 O ATOM 390 CB PRO A 25 -7.121 10.209 31.989 1.00 0.00 C ATOM 391 CG PRO A 25 -7.342 10.639 30.584 1.00 0.00 C ATOM 392 CD PRO A 25 -6.487 11.893 30.410 1.00 0.00 C ATOM 0 HA PRO A 25 -7.967 11.912 33.137 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.212 9.616 32.087 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.944 9.594 32.353 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.045 9.860 29.882 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.395 10.851 30.398 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.493 11.650 30.034 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.936 12.587 29.700 1.00 0.00 H new ATOM 400 N VAL A 26 -4.898 11.585 34.018 1.00 0.00 N ATOM 401 CA VAL A 26 -4.116 11.437 35.243 1.00 0.00 C ATOM 402 C VAL A 26 -4.654 12.372 36.331 1.00 0.00 C ATOM 403 O VAL A 26 -4.745 11.989 37.492 1.00 0.00 O ATOM 404 CB VAL A 26 -2.644 11.754 34.966 1.00 0.00 C ATOM 405 CG1 VAL A 26 -2.491 13.243 34.652 1.00 0.00 C ATOM 406 CG2 VAL A 26 -1.801 11.404 36.196 1.00 0.00 C ATOM 0 H VAL A 26 -4.372 11.879 33.195 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.200 10.407 35.590 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.304 11.165 34.114 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.443 13.467 34.455 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.087 13.493 33.774 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.834 13.831 35.503 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.754 11.631 35.996 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.142 11.990 37.050 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.906 10.342 36.419 1.00 0.00 H new ATOM 416 N LEU A 27 -4.966 13.606 35.957 1.00 0.00 N ATOM 417 CA LEU A 27 -5.441 14.619 36.905 1.00 0.00 C ATOM 418 C LEU A 27 -6.574 14.113 37.808 1.00 0.00 C ATOM 419 O LEU A 27 -6.760 14.617 38.916 1.00 0.00 O ATOM 420 CB LEU A 27 -5.940 15.836 36.110 1.00 0.00 C ATOM 421 CG LEU A 27 -6.422 16.949 37.055 1.00 0.00 C ATOM 422 CD1 LEU A 27 -5.271 17.416 37.961 1.00 0.00 C ATOM 423 CD2 LEU A 27 -6.923 18.128 36.212 1.00 0.00 C ATOM 0 H LEU A 27 -4.899 13.937 34.994 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.605 14.878 37.555 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.139 16.214 35.475 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.754 15.536 35.450 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.226 16.568 37.684 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.627 18.204 38.625 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.912 16.576 38.555 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.457 17.800 37.346 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.268 18.925 36.870 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.111 18.500 35.587 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.747 17.798 35.579 1.00 0.00 H new ATOM 435 N VAL A 28 -7.335 13.138 37.331 1.00 0.00 N ATOM 436 CA VAL A 28 -8.456 12.590 38.098 1.00 0.00 C ATOM 437 C VAL A 28 -7.980 11.775 39.306 1.00 0.00 C ATOM 438 O VAL A 28 -8.669 11.690 40.323 1.00 0.00 O ATOM 439 CB VAL A 28 -9.334 11.702 37.196 1.00 0.00 C ATOM 440 CG1 VAL A 28 -9.538 12.404 35.847 1.00 0.00 C ATOM 441 CG2 VAL A 28 -8.686 10.312 36.987 1.00 0.00 C ATOM 0 H VAL A 28 -7.200 12.707 36.416 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.038 13.434 38.468 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.299 11.549 37.679 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.159 11.781 35.203 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -10.030 13.364 36.007 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.571 12.567 35.372 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.326 9.705 36.347 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.711 10.432 36.516 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.565 9.818 37.951 1.00 0.00 H new ATOM 451 N ILE A 29 -6.800 11.177 39.178 1.00 0.00 N ATOM 452 CA ILE A 29 -6.238 10.367 40.259 1.00 0.00 C ATOM 453 C ILE A 29 -6.052 11.194 41.533 1.00 0.00 C ATOM 454 O ILE A 29 -6.243 10.673 42.630 1.00 0.00 O ATOM 455 CB ILE A 29 -4.892 9.749 39.824 1.00 0.00 C ATOM 456 CG1 ILE A 29 -4.553 8.552 40.729 1.00 0.00 C ATOM 457 CG2 ILE A 29 -3.760 10.795 39.922 1.00 0.00 C ATOM 458 CD1 ILE A 29 -3.331 7.823 40.167 1.00 0.00 C ATOM 0 H ILE A 29 -6.216 11.236 38.344 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.943 9.565 40.477 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.982 9.417 38.790 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.351 8.894 41.744 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.403 7.872 40.785 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.818 10.342 39.612 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.988 11.640 39.272 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.674 11.142 40.952 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.088 6.974 40.806 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.550 7.468 39.160 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.483 8.507 40.134 1.00 0.00 H new ATOM 470 N LEU A 30 -5.686 12.467 41.414 1.00 0.00 N ATOM 471 CA LEU A 30 -5.497 13.281 42.611 1.00 0.00 C ATOM 472 C LEU A 30 -6.779 13.319 43.439 1.00 0.00 C ATOM 473 O LEU A 30 -6.730 13.080 44.646 1.00 0.00 O ATOM 474 CB LEU A 30 -5.079 14.704 42.211 1.00 0.00 C ATOM 475 CG LEU A 30 -4.918 15.596 43.454 1.00 0.00 C ATOM 476 CD1 LEU A 30 -3.833 15.027 44.383 1.00 0.00 C ATOM 477 CD2 LEU A 30 -4.517 17.005 43.000 1.00 0.00 C ATOM 0 H LEU A 30 -5.518 12.946 40.529 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.709 12.836 43.219 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.140 14.670 41.658 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.827 15.133 41.544 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.861 15.630 44.000 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.730 15.669 45.258 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.115 14.023 44.700 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.883 14.985 43.850 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.399 17.648 43.872 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.575 16.957 42.455 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.292 17.412 42.350 1.00 0.00 H new ATOM 489 N LEU A 31 -7.915 13.642 42.838 1.00 0.00 N ATOM 490 CA LEU A 31 -9.148 13.720 43.614 1.00 0.00 C ATOM 491 C LEU A 31 -9.384 12.397 44.340 1.00 0.00 C ATOM 492 O LEU A 31 -9.769 12.358 45.509 1.00 0.00 O ATOM 493 CB LEU A 31 -10.324 13.982 42.662 1.00 0.00 C ATOM 494 CG LEU A 31 -10.353 15.460 42.251 1.00 0.00 C ATOM 495 CD1 LEU A 31 -9.070 15.812 41.489 1.00 0.00 C ATOM 496 CD2 LEU A 31 -11.567 15.712 41.353 1.00 0.00 C ATOM 0 H LEU A 31 -8.011 13.849 41.844 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.067 14.527 44.343 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.232 13.352 41.777 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.262 13.714 43.148 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.422 16.082 43.143 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.095 16.862 41.199 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.206 15.633 42.129 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.995 15.191 40.596 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.591 16.761 41.059 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.497 15.087 40.463 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.479 15.467 41.897 1.00 0.00 H new ATOM 508 N GLY A 32 -9.107 11.319 43.616 1.00 0.00 N ATOM 509 CA GLY A 32 -9.242 9.973 44.162 1.00 0.00 C ATOM 510 C GLY A 32 -8.265 9.778 45.318 1.00 0.00 C ATOM 511 O GLY A 32 -8.628 9.283 46.380 1.00 0.00 O ATOM 0 H GLY A 32 -8.787 11.350 42.648 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.263 9.813 44.507 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.049 9.235 43.384 1.00 0.00 H new ATOM 515 N VAL A 33 -7.033 10.230 45.105 1.00 0.00 N ATOM 516 CA VAL A 33 -6.032 10.149 46.171 1.00 0.00 C ATOM 517 C VAL A 33 -6.615 10.883 47.382 1.00 0.00 C ATOM 518 O VAL A 33 -6.632 10.355 48.493 1.00 0.00 O ATOM 519 CB VAL A 33 -4.707 10.787 45.736 1.00 0.00 C ATOM 520 CG1 VAL A 33 -3.783 10.929 46.950 1.00 0.00 C ATOM 521 CG2 VAL A 33 -4.027 9.897 44.686 1.00 0.00 C ATOM 0 H VAL A 33 -6.707 10.645 44.232 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.813 9.109 46.413 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.905 11.770 45.309 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.842 11.382 46.640 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.261 11.561 47.699 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.588 9.945 47.376 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.086 10.352 44.378 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.832 8.914 45.114 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.680 9.793 43.820 1.00 0.00 H new ATOM 531 N VAL A 34 -7.087 12.104 47.151 1.00 0.00 N ATOM 532 CA VAL A 34 -7.664 12.900 48.233 1.00 0.00 C ATOM 533 C VAL A 34 -8.842 12.131 48.834 1.00 0.00 C ATOM 534 O VAL A 34 -9.032 12.063 50.046 1.00 0.00 O ATOM 535 CB VAL A 34 -8.145 14.249 47.690 1.00 0.00 C ATOM 536 CG1 VAL A 34 -8.943 14.988 48.768 1.00 0.00 C ATOM 537 CG2 VAL A 34 -6.935 15.093 47.283 1.00 0.00 C ATOM 0 H VAL A 34 -7.083 12.560 46.239 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.911 13.082 49.000 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.784 14.081 46.823 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.283 15.947 48.376 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.806 14.388 49.057 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.309 15.156 49.639 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.275 16.054 46.896 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.297 15.257 48.151 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.370 14.570 46.511 1.00 0.00 H new ATOM 547 N GLY A 35 -9.613 11.545 47.934 1.00 0.00 N ATOM 548 CA GLY A 35 -10.771 10.753 48.333 1.00 0.00 C ATOM 549 C GLY A 35 -10.307 9.607 49.231 1.00 0.00 C ATOM 550 O GLY A 35 -10.887 9.346 50.285 1.00 0.00 O ATOM 0 H GLY A 35 -9.462 11.600 46.927 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.490 11.378 48.862 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.279 10.359 47.453 1.00 0.00 H new ATOM 554 N LEU A 36 -9.239 8.946 48.798 1.00 0.00 N ATOM 555 CA LEU A 36 -8.648 7.837 49.543 1.00 0.00 C ATOM 556 C LEU A 36 -7.939 8.339 50.802 1.00 0.00 C ATOM 557 O LEU A 36 -7.919 7.668 51.835 1.00 0.00 O ATOM 558 CB LEU A 36 -7.638 7.101 48.658 1.00 0.00 C ATOM 559 CG LEU A 36 -8.364 6.364 47.520 1.00 0.00 C ATOM 560 CD1 LEU A 36 -7.325 5.831 46.527 1.00 0.00 C ATOM 561 CD2 LEU A 36 -9.200 5.190 48.078 1.00 0.00 C ATOM 0 H LEU A 36 -8.759 9.162 47.924 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.450 7.160 49.838 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.923 7.811 48.243 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.070 6.389 49.257 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.038 7.059 47.019 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.832 5.307 45.717 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.752 6.663 46.118 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.652 5.143 47.039 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.706 4.681 47.257 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.543 4.487 48.591 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.941 5.572 48.780 1.00 0.00 H new ATOM 573 N SER A 37 -7.391 9.551 50.706 1.00 0.00 N ATOM 574 CA SER A 37 -6.724 10.159 51.857 1.00 0.00 C ATOM 575 C SER A 37 -7.764 10.339 52.958 1.00 0.00 C ATOM 576 O SER A 37 -7.500 10.130 54.116 1.00 0.00 O ATOM 577 CB SER A 37 -6.089 11.505 51.491 1.00 0.00 C ATOM 578 OG SER A 37 -7.105 12.468 51.262 1.00 0.00 O ATOM 0 H SER A 37 -7.395 10.122 49.860 1.00 0.00 H new ATOM 0 HA SER A 37 -5.916 9.511 52.196 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.433 11.839 52.295 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.471 11.396 50.600 1.00 0.00 H new ATOM 0 HG SER A 37 -7.914 12.019 50.939 1.00 0.00 H new ATOM 584 N ALA A 38 -8.962 10.686 52.571 1.00 0.00 N ATOM 585 CA ALA A 38 -10.035 10.839 53.548 1.00 0.00 C ATOM 586 C ALA A 38 -10.236 9.514 54.299 1.00 0.00 C ATOM 587 O ALA A 38 -10.501 9.509 55.501 1.00 0.00 O ATOM 588 CB ALA A 38 -11.332 11.271 52.863 1.00 0.00 C ATOM 0 H ALA A 38 -9.229 10.868 51.604 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.759 11.616 54.261 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.119 11.379 53.609 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.177 12.225 52.358 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -11.626 10.517 52.132 1.00 0.00 H new ATOM 594 N LEU A 39 -10.086 8.405 53.594 1.00 0.00 N ATOM 595 CA LEU A 39 -10.235 7.096 54.247 1.00 0.00 C ATOM 596 C LEU A 39 -8.999 6.735 55.115 1.00 0.00 C ATOM 597 O LEU A 39 -9.134 6.348 56.275 1.00 0.00 O ATOM 598 CB LEU A 39 -10.455 6.013 53.180 1.00 0.00 C ATOM 599 CG LEU A 39 -10.636 4.632 53.834 1.00 0.00 C ATOM 600 CD1 LEU A 39 -11.857 4.645 54.772 1.00 0.00 C ATOM 601 CD2 LEU A 39 -10.846 3.587 52.734 1.00 0.00 C ATOM 0 H LEU A 39 -9.868 8.372 52.598 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.098 7.150 54.911 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.335 6.256 52.584 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.605 5.989 52.498 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.748 4.388 54.417 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.975 3.663 55.229 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.709 5.392 55.551 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.752 4.889 54.200 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.975 2.604 53.186 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.735 3.841 52.156 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.977 3.572 52.076 1.00 0.00 H new ATOM 613 N THR A 40 -7.811 6.820 54.509 1.00 0.00 N ATOM 614 CA THR A 40 -6.545 6.447 55.194 1.00 0.00 C ATOM 615 C THR A 40 -5.749 7.654 55.723 1.00 0.00 C ATOM 616 O THR A 40 -4.734 7.493 56.401 1.00 0.00 O ATOM 617 CB THR A 40 -5.654 5.699 54.201 1.00 0.00 C ATOM 618 OG1 THR A 40 -5.348 6.550 53.105 1.00 0.00 O ATOM 619 CG2 THR A 40 -6.382 4.454 53.693 1.00 0.00 C ATOM 0 H THR A 40 -7.687 7.141 53.549 1.00 0.00 H new ATOM 0 HA THR A 40 -6.823 5.836 56.052 1.00 0.00 H new ATOM 0 HB THR A 40 -4.731 5.400 54.698 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.776 6.072 52.469 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.745 3.923 52.986 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.615 3.800 54.534 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.306 4.750 53.197 1.00 0.00 H new ATOM 627 N GLY A 41 -6.271 8.837 55.479 1.00 0.00 N ATOM 628 CA GLY A 41 -5.662 10.063 56.016 1.00 0.00 C ATOM 629 C GLY A 41 -4.202 10.263 55.621 1.00 0.00 C ATOM 630 O GLY A 41 -3.310 10.085 56.450 1.00 0.00 O ATOM 0 H GLY A 41 -7.109 8.989 54.918 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.240 10.922 55.674 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.733 10.044 57.104 1.00 0.00 H new ATOM 634 N TYR A 42 -3.945 10.662 54.376 1.00 0.00 N ATOM 635 CA TYR A 42 -2.578 10.912 53.913 1.00 0.00 C ATOM 636 C TYR A 42 -2.389 12.417 53.689 1.00 0.00 C ATOM 637 O TYR A 42 -1.495 12.839 52.955 1.00 0.00 O ATOM 638 CB TYR A 42 -2.342 10.135 52.587 1.00 0.00 C ATOM 639 CG TYR A 42 -1.262 9.081 52.776 1.00 0.00 C ATOM 640 CD1 TYR A 42 -1.375 8.149 53.815 1.00 0.00 C ATOM 641 CD2 TYR A 42 -0.150 9.051 51.926 1.00 0.00 C ATOM 642 CE1 TYR A 42 -0.375 7.187 54.004 1.00 0.00 C ATOM 643 CE2 TYR A 42 0.849 8.089 52.115 1.00 0.00 C ATOM 644 CZ TYR A 42 0.737 7.157 53.153 1.00 0.00 C ATOM 645 OH TYR A 42 1.723 6.209 53.339 1.00 0.00 O ATOM 0 H TYR A 42 -4.664 10.819 53.670 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.859 10.572 54.659 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -3.269 9.661 52.266 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -2.049 10.828 51.799 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -2.233 8.172 54.470 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.063 9.770 51.125 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -0.461 6.468 54.806 1.00 0.00 H new ATOM 0 HE2 TYR A 42 1.707 8.066 51.459 1.00 0.00 H new ATOM 0 HH TYR A 42 2.422 6.327 52.662 1.00 0.00 H new ATOM 655 N LEU A 43 -3.250 13.213 54.318 1.00 0.00 N ATOM 656 CA LEU A 43 -3.216 14.669 54.199 1.00 0.00 C ATOM 657 C LEU A 43 -1.800 15.244 54.324 1.00 0.00 C ATOM 658 O LEU A 43 -1.294 15.897 53.413 1.00 0.00 O ATOM 659 CB LEU A 43 -4.025 15.205 55.403 1.00 0.00 C ATOM 660 CG LEU A 43 -4.502 16.647 55.149 1.00 0.00 C ATOM 661 CD1 LEU A 43 -5.419 17.076 56.300 1.00 0.00 C ATOM 662 CD2 LEU A 43 -3.297 17.599 55.064 1.00 0.00 C ATOM 0 H LEU A 43 -3.992 12.866 54.926 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.607 14.954 53.222 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.885 14.560 55.584 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.409 15.175 56.302 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.045 16.688 54.205 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.763 18.096 56.130 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.278 16.407 56.349 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.869 17.030 57.240 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.648 18.615 54.884 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.742 17.568 56.001 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.646 17.290 54.246 1.00 0.00 H new ATOM 674 N ASP A 44 -1.180 14.983 55.470 1.00 0.00 N ATOM 675 CA ASP A 44 0.177 15.463 55.727 1.00 0.00 C ATOM 676 C ASP A 44 1.151 14.801 54.755 1.00 0.00 C ATOM 677 O ASP A 44 2.096 15.434 54.282 1.00 0.00 O ATOM 678 CB ASP A 44 0.615 15.162 57.159 1.00 0.00 C ATOM 679 CG ASP A 44 -0.147 16.010 58.171 1.00 0.00 C ATOM 680 OD1 ASP A 44 -0.779 16.976 57.778 1.00 0.00 O ATOM 681 OD2 ASP A 44 -0.086 15.665 59.340 1.00 0.00 O ATOM 0 H ASP A 44 -1.591 14.445 56.233 1.00 0.00 H new ATOM 0 HA ASP A 44 0.181 16.544 55.586 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.454 14.106 57.375 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.684 15.348 57.259 1.00 0.00 H new ATOM 686 N TYR A 45 0.933 13.520 54.488 1.00 0.00 N ATOM 687 CA TYR A 45 1.818 12.770 53.602 1.00 0.00 C ATOM 688 C TYR A 45 1.908 13.395 52.205 1.00 0.00 C ATOM 689 O TYR A 45 2.996 13.421 51.642 1.00 0.00 O ATOM 690 CB TYR A 45 1.324 11.318 53.482 1.00 0.00 C ATOM 691 CG TYR A 45 1.782 10.496 54.668 1.00 0.00 C ATOM 692 CD1 TYR A 45 0.988 10.412 55.819 1.00 0.00 C ATOM 693 CD2 TYR A 45 2.991 9.792 54.600 1.00 0.00 C ATOM 694 CE1 TYR A 45 1.403 9.625 56.899 1.00 0.00 C ATOM 695 CE2 TYR A 45 3.406 9.006 55.681 1.00 0.00 C ATOM 696 CZ TYR A 45 2.611 8.923 56.830 1.00 0.00 C ATOM 697 OH TYR A 45 3.021 8.148 57.897 1.00 0.00 O ATOM 0 H TYR A 45 0.156 12.980 54.869 1.00 0.00 H new ATOM 0 HA TYR A 45 2.815 12.796 54.041 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.236 11.303 53.422 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.701 10.876 52.560 1.00 0.00 H new ATOM 0 HD1 TYR A 45 0.056 10.955 55.873 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.603 9.856 53.713 1.00 0.00 H new ATOM 0 HE1 TYR A 45 0.790 9.560 57.786 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.339 8.464 55.629 1.00 0.00 H new ATOM 0 HH TYR A 45 3.880 7.728 57.685 1.00 0.00 H new ATOM 707 N VAL A 46 0.773 13.853 51.651 1.00 0.00 N ATOM 708 CA VAL A 46 0.712 14.442 50.294 1.00 0.00 C ATOM 709 C VAL A 46 2.079 14.745 49.671 1.00 0.00 C ATOM 710 O VAL A 46 2.308 14.417 48.507 1.00 0.00 O ATOM 711 CB VAL A 46 -0.119 15.729 50.325 1.00 0.00 C ATOM 712 CG1 VAL A 46 -1.574 15.393 50.674 1.00 0.00 C ATOM 713 CG2 VAL A 46 0.458 16.697 51.366 1.00 0.00 C ATOM 0 H VAL A 46 -0.129 13.827 52.127 1.00 0.00 H new ATOM 0 HA VAL A 46 0.248 13.683 49.665 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.085 16.203 49.344 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.164 16.309 50.696 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.982 14.717 49.923 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.612 14.914 51.652 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.137 17.610 51.383 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.434 16.229 52.350 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.488 16.940 51.105 1.00 0.00 H new ATOM 723 N LEU A 47 2.966 15.393 50.407 1.00 0.00 N ATOM 724 CA LEU A 47 4.268 15.744 49.846 1.00 0.00 C ATOM 725 C LEU A 47 5.012 14.507 49.315 1.00 0.00 C ATOM 726 O LEU A 47 5.560 14.527 48.215 1.00 0.00 O ATOM 727 CB LEU A 47 5.129 16.371 50.948 1.00 0.00 C ATOM 728 CG LEU A 47 4.594 17.761 51.328 1.00 0.00 C ATOM 729 CD1 LEU A 47 5.330 18.247 52.581 1.00 0.00 C ATOM 730 CD2 LEU A 47 4.810 18.763 50.172 1.00 0.00 C ATOM 0 H LEU A 47 2.818 15.683 51.374 1.00 0.00 H new ATOM 0 HA LEU A 47 4.100 16.436 49.021 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.133 15.725 51.826 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.161 16.453 50.608 1.00 0.00 H new ATOM 0 HG LEU A 47 3.524 17.693 51.524 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.959 19.233 52.861 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.156 17.548 53.399 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.399 18.306 52.375 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.424 19.741 50.461 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.875 18.843 49.954 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.283 18.413 49.284 1.00 0.00 H new ATOM 742 N LEU A 48 5.048 13.450 50.130 1.00 0.00 N ATOM 743 CA LEU A 48 5.756 12.216 49.754 1.00 0.00 C ATOM 744 C LEU A 48 5.170 11.552 48.481 1.00 0.00 C ATOM 745 O LEU A 48 5.904 11.391 47.507 1.00 0.00 O ATOM 746 CB LEU A 48 5.830 11.239 50.950 1.00 0.00 C ATOM 747 CG LEU A 48 7.083 11.510 51.807 1.00 0.00 C ATOM 748 CD1 LEU A 48 8.367 11.162 51.024 1.00 0.00 C ATOM 749 CD2 LEU A 48 7.106 12.990 52.227 1.00 0.00 C ATOM 0 H LEU A 48 4.601 13.419 51.046 1.00 0.00 H new ATOM 0 HA LEU A 48 6.777 12.495 49.492 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.935 11.342 51.564 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.850 10.212 50.585 1.00 0.00 H new ATOM 0 HG LEU A 48 7.045 10.880 52.695 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.239 11.361 51.648 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.351 10.107 50.749 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.420 11.772 50.122 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.991 13.183 52.833 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.131 13.620 51.338 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.212 13.217 52.808 1.00 0.00 H new ATOM 761 N PRO A 49 3.902 11.200 48.415 1.00 0.00 N ATOM 762 CA PRO A 49 3.314 10.601 47.169 1.00 0.00 C ATOM 763 C PRO A 49 3.666 11.401 45.907 1.00 0.00 C ATOM 764 O PRO A 49 3.704 10.850 44.807 1.00 0.00 O ATOM 765 CB PRO A 49 1.806 10.653 47.433 1.00 0.00 C ATOM 766 CG PRO A 49 1.689 10.530 48.910 1.00 0.00 C ATOM 767 CD PRO A 49 2.892 11.285 49.485 1.00 0.00 C ATOM 0 HA PRO A 49 3.697 9.598 46.980 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.371 11.586 47.076 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.284 9.843 46.923 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.752 10.958 49.266 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.699 9.484 49.218 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.641 12.320 49.718 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.248 10.828 50.408 1.00 0.00 H new ATOM 775 N ALA A 50 3.949 12.690 46.079 1.00 0.00 N ATOM 776 CA ALA A 50 4.333 13.560 44.967 1.00 0.00 C ATOM 777 C ALA A 50 5.688 13.155 44.387 1.00 0.00 C ATOM 778 O ALA A 50 5.927 13.321 43.190 1.00 0.00 O ATOM 779 CB ALA A 50 4.387 15.014 45.438 1.00 0.00 C ATOM 0 H ALA A 50 3.920 13.159 46.984 1.00 0.00 H new ATOM 0 HA ALA A 50 3.583 13.456 44.183 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.674 15.656 44.605 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.406 15.314 45.806 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.120 15.110 46.239 1.00 0.00 H new ATOM 785 N LEU A 51 6.564 12.606 45.220 1.00 0.00 N ATOM 786 CA LEU A 51 7.872 12.167 44.737 1.00 0.00 C ATOM 787 C LEU A 51 7.690 11.026 43.743 1.00 0.00 C ATOM 788 O LEU A 51 8.365 10.955 42.716 1.00 0.00 O ATOM 789 CB LEU A 51 8.741 11.695 45.913 1.00 0.00 C ATOM 790 CG LEU A 51 9.361 12.907 46.619 1.00 0.00 C ATOM 791 CD1 LEU A 51 8.257 13.890 47.023 1.00 0.00 C ATOM 792 CD2 LEU A 51 10.123 12.438 47.864 1.00 0.00 C ATOM 0 H LEU A 51 6.400 12.455 46.215 1.00 0.00 H new ATOM 0 HA LEU A 51 8.369 13.004 44.246 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.137 11.122 46.617 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.527 11.031 45.553 1.00 0.00 H new ATOM 0 HG LEU A 51 10.052 13.408 45.941 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.701 14.750 47.524 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.724 14.224 46.133 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.560 13.396 47.699 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.564 13.299 48.366 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.435 11.934 48.543 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.912 11.747 47.569 1.00 0.00 H new ATOM 804 N ALA A 52 6.741 10.156 44.062 1.00 0.00 N ATOM 805 CA ALA A 52 6.427 9.027 43.197 1.00 0.00 C ATOM 806 C ALA A 52 5.974 9.547 41.835 1.00 0.00 C ATOM 807 O ALA A 52 6.385 9.028 40.798 1.00 0.00 O ATOM 808 CB ALA A 52 5.330 8.163 43.823 1.00 0.00 C ATOM 0 H ALA A 52 6.177 10.210 44.910 1.00 0.00 H new ATOM 0 HA ALA A 52 7.318 8.412 43.073 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.107 7.324 43.164 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.670 7.786 44.788 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.431 8.762 43.964 1.00 0.00 H new ATOM 814 N ILE A 53 5.141 10.584 41.841 1.00 0.00 N ATOM 815 CA ILE A 53 4.667 11.168 40.591 1.00 0.00 C ATOM 816 C ILE A 53 5.831 11.759 39.798 1.00 0.00 C ATOM 817 O ILE A 53 5.987 11.447 38.618 1.00 0.00 O ATOM 818 CB ILE A 53 3.638 12.264 40.877 1.00 0.00 C ATOM 819 CG1 ILE A 53 2.412 11.667 41.592 1.00 0.00 C ATOM 820 CG2 ILE A 53 3.210 12.929 39.566 1.00 0.00 C ATOM 821 CD1 ILE A 53 1.769 10.548 40.756 1.00 0.00 C ATOM 0 H ILE A 53 4.785 11.032 42.685 1.00 0.00 H new ATOM 0 HA ILE A 53 4.201 10.378 40.002 1.00 0.00 H new ATOM 0 HB ILE A 53 4.090 13.014 41.526 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.711 11.273 42.563 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.679 12.452 41.779 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.477 13.708 39.776 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.081 13.370 39.081 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.767 12.182 38.907 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.906 10.147 41.288 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.448 10.950 39.795 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.496 9.753 40.592 1.00 0.00 H new ATOM 833 N PHE A 54 6.654 12.600 40.420 1.00 0.00 N ATOM 834 CA PHE A 54 7.785 13.191 39.710 1.00 0.00 C ATOM 835 C PHE A 54 8.716 12.103 39.188 1.00 0.00 C ATOM 836 O PHE A 54 9.183 12.170 38.052 1.00 0.00 O ATOM 837 CB PHE A 54 8.556 14.128 40.641 1.00 0.00 C ATOM 838 CG PHE A 54 9.718 14.741 39.895 1.00 0.00 C ATOM 839 CD1 PHE A 54 9.497 15.799 39.005 1.00 0.00 C ATOM 840 CD2 PHE A 54 11.015 14.251 40.092 1.00 0.00 C ATOM 841 CE1 PHE A 54 10.573 16.368 38.313 1.00 0.00 C ATOM 842 CE2 PHE A 54 12.091 14.821 39.400 1.00 0.00 C ATOM 843 CZ PHE A 54 11.870 15.879 38.511 1.00 0.00 C ATOM 0 H PHE A 54 6.562 12.883 41.396 1.00 0.00 H new ATOM 0 HA PHE A 54 7.402 13.760 38.863 1.00 0.00 H new ATOM 0 HB2 PHE A 54 7.896 14.911 41.013 1.00 0.00 H new ATOM 0 HB3 PHE A 54 8.918 13.577 41.509 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.497 16.176 38.852 1.00 0.00 H new ATOM 0 HD2 PHE A 54 11.185 13.434 40.777 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.403 17.184 37.626 1.00 0.00 H new ATOM 0 HE2 PHE A 54 13.092 14.444 39.552 1.00 0.00 H new ATOM 0 HZ PHE A 54 12.700 16.318 37.978 1.00 0.00 H new ATOM 853 N ILE A 55 8.957 11.088 40.009 1.00 0.00 N ATOM 854 CA ILE A 55 9.806 9.977 39.601 1.00 0.00 C ATOM 855 C ILE A 55 9.146 9.239 38.439 1.00 0.00 C ATOM 856 O ILE A 55 9.789 8.868 37.458 1.00 0.00 O ATOM 857 CB ILE A 55 9.995 9.010 40.785 1.00 0.00 C ATOM 858 CG1 ILE A 55 10.874 9.668 41.872 1.00 0.00 C ATOM 859 CG2 ILE A 55 10.648 7.707 40.301 1.00 0.00 C ATOM 860 CD1 ILE A 55 12.373 9.626 41.508 1.00 0.00 C ATOM 0 H ILE A 55 8.580 11.012 40.954 1.00 0.00 H new ATOM 0 HA ILE A 55 10.778 10.357 39.288 1.00 0.00 H new ATOM 0 HB ILE A 55 9.018 8.780 41.211 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.564 10.704 42.011 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.717 9.158 42.822 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.778 7.030 41.145 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.010 7.236 39.553 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.620 7.929 39.861 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.953 10.099 42.300 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.691 8.590 41.395 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.535 10.159 40.571 1.00 0.00 H new ATOM 872 N GLY A 56 7.838 9.059 38.580 1.00 0.00 N ATOM 873 CA GLY A 56 7.039 8.392 37.562 1.00 0.00 C ATOM 874 C GLY A 56 7.058 9.185 36.257 1.00 0.00 C ATOM 875 O GLY A 56 7.158 8.613 35.171 1.00 0.00 O ATOM 0 H GLY A 56 7.307 9.368 39.394 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.426 7.388 37.389 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.013 8.282 37.912 1.00 0.00 H new ATOM 879 N LEU A 57 6.967 10.508 36.378 1.00 0.00 N ATOM 880 CA LEU A 57 6.977 11.372 35.200 1.00 0.00 C ATOM 881 C LEU A 57 8.300 11.208 34.452 1.00 0.00 C ATOM 882 O LEU A 57 8.318 11.015 33.237 1.00 0.00 O ATOM 883 CB LEU A 57 6.792 12.834 35.634 1.00 0.00 C ATOM 884 CG LEU A 57 6.799 13.773 34.418 1.00 0.00 C ATOM 885 CD1 LEU A 57 5.622 13.442 33.486 1.00 0.00 C ATOM 886 CD2 LEU A 57 6.675 15.220 34.907 1.00 0.00 C ATOM 0 H LEU A 57 6.886 11.000 37.268 1.00 0.00 H new ATOM 0 HA LEU A 57 6.159 11.092 34.536 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.852 12.941 36.175 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.589 13.117 36.321 1.00 0.00 H new ATOM 0 HG LEU A 57 7.730 13.644 33.866 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.637 14.114 32.628 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.709 12.412 33.142 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.684 13.566 34.027 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.679 15.895 34.051 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.742 15.339 35.459 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.515 15.457 35.560 1.00 0.00 H new ATOM 898 N THR A 58 9.406 11.326 35.176 1.00 0.00 N ATOM 899 CA THR A 58 10.721 11.229 34.553 1.00 0.00 C ATOM 900 C THR A 58 10.836 9.953 33.721 1.00 0.00 C ATOM 901 O THR A 58 11.392 9.960 32.623 1.00 0.00 O ATOM 902 CB THR A 58 11.804 11.217 35.637 1.00 0.00 C ATOM 903 OG1 THR A 58 11.541 10.168 36.556 1.00 0.00 O ATOM 904 CG2 THR A 58 11.817 12.560 36.375 1.00 0.00 C ATOM 0 H THR A 58 9.421 11.487 36.183 1.00 0.00 H new ATOM 0 HA THR A 58 10.854 12.090 33.899 1.00 0.00 H new ATOM 0 HB THR A 58 12.777 11.057 35.173 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.589 9.936 36.524 1.00 0.00 H new ATOM 0 HG21 THR A 58 12.589 12.545 37.144 1.00 0.00 H new ATOM 0 HG22 THR A 58 12.026 13.362 35.667 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.845 12.729 36.839 1.00 0.00 H new ATOM 912 N ILE A 59 10.271 8.872 34.244 1.00 0.00 N ATOM 913 CA ILE A 59 10.277 7.600 33.529 1.00 0.00 C ATOM 914 C ILE A 59 9.465 7.730 32.239 1.00 0.00 C ATOM 915 O ILE A 59 9.904 7.279 31.181 1.00 0.00 O ATOM 916 CB ILE A 59 9.721 6.476 34.408 1.00 0.00 C ATOM 917 CG1 ILE A 59 10.688 6.215 35.566 1.00 0.00 C ATOM 918 CG2 ILE A 59 9.568 5.199 33.577 1.00 0.00 C ATOM 919 CD1 ILE A 59 10.023 5.299 36.595 1.00 0.00 C ATOM 0 H ILE A 59 9.807 8.849 35.152 1.00 0.00 H new ATOM 0 HA ILE A 59 11.306 7.345 33.276 1.00 0.00 H new ATOM 0 HB ILE A 59 8.747 6.770 34.800 1.00 0.00 H new ATOM 0 HG12 ILE A 59 11.603 5.755 35.192 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.973 7.157 36.034 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.172 4.401 34.205 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.883 5.383 32.750 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.540 4.902 33.183 1.00 0.00 H new ATOM 0 HD11 ILE A 59 10.713 5.115 37.418 1.00 0.00 H new ATOM 0 HD12 ILE A 59 9.121 5.776 36.978 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.760 4.352 36.123 1.00 0.00 H new ATOM 931 N TYR A 60 8.285 8.336 32.325 1.00 0.00 N ATOM 932 CA TYR A 60 7.433 8.502 31.148 1.00 0.00 C ATOM 933 C TYR A 60 8.188 9.153 29.980 1.00 0.00 C ATOM 934 O TYR A 60 8.022 8.739 28.840 1.00 0.00 O ATOM 935 CB TYR A 60 6.181 9.337 31.521 1.00 0.00 C ATOM 936 CG TYR A 60 5.726 10.166 30.335 1.00 0.00 C ATOM 937 CD1 TYR A 60 4.838 9.646 29.386 1.00 0.00 C ATOM 938 CD2 TYR A 60 6.233 11.462 30.184 1.00 0.00 C ATOM 939 CE1 TYR A 60 4.457 10.422 28.286 1.00 0.00 C ATOM 940 CE2 TYR A 60 5.851 12.238 29.083 1.00 0.00 C ATOM 941 CZ TYR A 60 4.963 11.719 28.134 1.00 0.00 C ATOM 942 OH TYR A 60 4.597 12.480 27.045 1.00 0.00 O ATOM 0 H TYR A 60 7.898 8.718 33.188 1.00 0.00 H new ATOM 0 HA TYR A 60 7.122 7.512 30.816 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.376 8.675 31.840 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.409 9.990 32.363 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.447 8.646 29.503 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.918 11.863 30.916 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.772 10.021 27.554 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.242 13.238 28.966 1.00 0.00 H new ATOM 0 HH TYR A 60 3.668 12.281 26.804 1.00 0.00 H new ATOM 952 N ALA A 61 9.009 10.157 30.238 1.00 0.00 N ATOM 953 CA ALA A 61 9.759 10.808 29.168 1.00 0.00 C ATOM 954 C ALA A 61 10.796 9.879 28.546 1.00 0.00 C ATOM 955 O ALA A 61 11.131 10.039 27.379 1.00 0.00 O ATOM 956 CB ALA A 61 10.451 12.062 29.704 1.00 0.00 C ATOM 0 H ALA A 61 9.175 10.539 31.169 1.00 0.00 H new ATOM 0 HA ALA A 61 9.046 11.079 28.389 1.00 0.00 H new ATOM 0 HB1 ALA A 61 11.008 12.542 28.900 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.702 12.754 30.090 1.00 0.00 H new ATOM 0 HB3 ALA A 61 11.136 11.785 30.505 1.00 0.00 H new ATOM 962 N ILE A 62 11.293 8.905 29.296 1.00 0.00 N ATOM 963 CA ILE A 62 12.278 7.975 28.747 1.00 0.00 C ATOM 964 C ILE A 62 11.646 6.987 27.758 1.00 0.00 C ATOM 965 O ILE A 62 12.211 6.690 26.707 1.00 0.00 O ATOM 966 CB ILE A 62 12.948 7.202 29.889 1.00 0.00 C ATOM 967 CG1 ILE A 62 13.759 8.178 30.750 1.00 0.00 C ATOM 968 CG2 ILE A 62 13.886 6.135 29.311 1.00 0.00 C ATOM 969 CD1 ILE A 62 14.242 7.476 32.023 1.00 0.00 C ATOM 0 H ILE A 62 11.038 8.737 30.269 1.00 0.00 H new ATOM 0 HA ILE A 62 13.020 8.560 28.203 1.00 0.00 H new ATOM 0 HB ILE A 62 12.184 6.719 30.498 1.00 0.00 H new ATOM 0 HG12 ILE A 62 14.613 8.552 30.185 1.00 0.00 H new ATOM 0 HG13 ILE A 62 13.147 9.041 31.011 1.00 0.00 H new ATOM 0 HG21 ILE A 62 14.360 5.588 30.126 1.00 0.00 H new ATOM 0 HG22 ILE A 62 13.313 5.443 28.694 1.00 0.00 H new ATOM 0 HG23 ILE A 62 14.652 6.615 28.702 1.00 0.00 H new ATOM 0 HD11 ILE A 62 14.817 8.176 32.629 1.00 0.00 H new ATOM 0 HD12 ILE A 62 13.382 7.124 32.593 1.00 0.00 H new ATOM 0 HD13 ILE A 62 14.871 6.627 31.754 1.00 0.00 H new ATOM 981 N GLN A 63 10.466 6.490 28.119 1.00 0.00 N ATOM 982 CA GLN A 63 9.756 5.535 27.264 1.00 0.00 C ATOM 983 C GLN A 63 9.284 6.221 25.974 1.00 0.00 C ATOM 984 O GLN A 63 9.255 5.606 24.911 1.00 0.00 O ATOM 985 CB GLN A 63 8.550 4.913 28.018 1.00 0.00 C ATOM 986 CG GLN A 63 7.266 5.737 27.789 1.00 0.00 C ATOM 987 CD GLN A 63 6.209 5.403 28.836 1.00 0.00 C ATOM 988 OE1 GLN A 63 6.453 4.621 29.755 1.00 0.00 O ATOM 989 NE2 GLN A 63 5.038 5.973 28.755 1.00 0.00 N ATOM 0 H GLN A 63 9.984 6.727 28.986 1.00 0.00 H new ATOM 0 HA GLN A 63 10.445 4.733 27.001 1.00 0.00 H new ATOM 0 HB2 GLN A 63 8.394 3.889 27.678 1.00 0.00 H new ATOM 0 HB3 GLN A 63 8.770 4.865 29.085 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.500 6.801 27.830 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.873 5.535 26.793 1.00 0.00 H new ATOM 0 HE21 GLN A 63 4.838 6.621 27.993 1.00 0.00 H new ATOM 0 HE22 GLN A 63 4.323 5.771 29.454 1.00 0.00 H new ATOM 998 N ARG A 64 8.942 7.500 26.083 1.00 0.00 N ATOM 999 CA ARG A 64 8.486 8.323 24.962 1.00 0.00 C ATOM 1000 C ARG A 64 9.635 8.806 24.064 1.00 0.00 C ATOM 1001 O ARG A 64 9.426 9.180 22.913 1.00 0.00 O ATOM 1002 CB ARG A 64 7.726 9.542 25.493 1.00 0.00 C ATOM 1003 CG ARG A 64 7.140 10.317 24.311 1.00 0.00 C ATOM 1004 CD ARG A 64 6.162 11.382 24.812 1.00 0.00 C ATOM 1005 NE ARG A 64 5.610 12.111 23.676 1.00 0.00 N ATOM 1006 CZ ARG A 64 4.635 11.586 22.941 1.00 0.00 C ATOM 1007 NH1 ARG A 64 4.119 10.433 23.270 1.00 0.00 N ATOM 1008 NH2 ARG A 64 4.193 12.223 21.891 1.00 0.00 N ATOM 0 H ARG A 64 8.974 8.006 26.968 1.00 0.00 H new ATOM 0 HA ARG A 64 7.838 7.692 24.354 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.930 9.225 26.167 1.00 0.00 H new ATOM 0 HB3 ARG A 64 8.395 10.182 26.068 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.942 10.788 23.742 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.628 9.632 23.635 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.359 10.914 25.382 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.672 12.070 25.486 1.00 0.00 H new ATOM 0 HE ARG A 64 5.976 13.034 23.443 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.464 9.935 24.091 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.371 10.030 22.706 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.596 13.124 21.634 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.445 11.820 21.327 1.00 0.00 H new ATOM 1022 N LYS A 65 10.832 8.825 24.634 1.00 0.00 N ATOM 1023 CA LYS A 65 12.045 9.300 23.954 1.00 0.00 C ATOM 1024 C LYS A 65 12.653 8.319 22.933 1.00 0.00 C ATOM 1025 O LYS A 65 13.191 8.702 21.894 1.00 0.00 O ATOM 1026 CB LYS A 65 13.116 9.514 25.035 1.00 0.00 C ATOM 1027 CG LYS A 65 14.401 10.081 24.414 1.00 0.00 C ATOM 1028 CD LYS A 65 15.412 10.377 25.524 1.00 0.00 C ATOM 1029 CE LYS A 65 16.714 10.887 24.905 1.00 0.00 C ATOM 1030 NZ LYS A 65 16.453 12.163 24.180 1.00 0.00 N ATOM 0 H LYS A 65 10.998 8.510 25.590 1.00 0.00 H new ATOM 0 HA LYS A 65 11.755 10.195 23.404 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.741 10.198 25.797 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.332 8.569 25.533 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.821 9.368 23.705 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.178 10.991 23.857 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.007 11.121 26.210 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.602 9.476 26.107 1.00 0.00 H new ATOM 0 HE2 LYS A 65 17.462 11.044 25.682 1.00 0.00 H new ATOM 0 HE3 LYS A 65 17.119 10.143 24.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.349 12.672 24.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.024 11.956 23.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.804 12.753 24.739 1.00 0.00 H new ATOM 1044 N ARG A 66 12.502 7.042 23.275 1.00 0.00 N ATOM 1045 CA ARG A 66 12.967 5.927 22.433 1.00 0.00 C ATOM 1046 C ARG A 66 11.975 5.551 21.320 1.00 0.00 C ATOM 1047 O ARG A 66 12.351 5.338 20.168 1.00 0.00 O ATOM 1048 CB ARG A 66 13.258 4.705 23.305 1.00 0.00 C ATOM 1049 CG ARG A 66 14.455 5.012 24.208 1.00 0.00 C ATOM 1050 CD ARG A 66 14.783 3.796 25.076 1.00 0.00 C ATOM 1051 NE ARG A 66 15.902 4.109 25.956 1.00 0.00 N ATOM 1052 CZ ARG A 66 16.408 3.204 26.788 1.00 0.00 C ATOM 1053 NH1 ARG A 66 15.917 1.994 26.814 1.00 0.00 N ATOM 1054 NH2 ARG A 66 17.395 3.524 27.580 1.00 0.00 N ATOM 0 H ARG A 66 12.055 6.744 24.142 1.00 0.00 H new ATOM 0 HA ARG A 66 13.878 6.266 21.939 1.00 0.00 H new ATOM 0 HB2 ARG A 66 12.385 4.456 23.908 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.471 3.838 22.680 1.00 0.00 H new ATOM 0 HG2 ARG A 66 15.320 5.279 23.601 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.232 5.871 24.841 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.912 3.513 25.666 1.00 0.00 H new ATOM 0 HD3 ARG A 66 15.032 2.943 24.445 1.00 0.00 H new ATOM 0 HE ARG A 66 16.307 5.045 25.933 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.145 1.743 26.196 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.305 1.300 27.452 1.00 0.00 H new ATOM 0 HH21 ARG A 66 17.779 4.469 27.561 1.00 0.00 H new ATOM 0 HH22 ARG A 66 17.783 2.829 28.218 1.00 0.00 H new ATOM 1068 N GLN A 67 10.702 5.555 21.689 1.00 0.00 N ATOM 1069 CA GLN A 67 9.586 5.303 20.770 1.00 0.00 C ATOM 1070 C GLN A 67 9.161 6.598 20.072 1.00 0.00 C ATOM 1071 O GLN A 67 8.320 6.600 19.179 1.00 0.00 O ATOM 1072 CB GLN A 67 8.405 4.662 21.507 1.00 0.00 C ATOM 1073 CG GLN A 67 7.693 5.702 22.361 1.00 0.00 C ATOM 1074 CD GLN A 67 6.809 5.003 23.393 1.00 0.00 C ATOM 1075 OE1 GLN A 67 7.324 4.399 24.334 1.00 0.00 O ATOM 1076 NE2 GLN A 67 5.513 5.013 23.251 1.00 0.00 N ATOM 0 H GLN A 67 10.404 5.735 22.648 1.00 0.00 H new ATOM 0 HA GLN A 67 9.923 4.601 20.007 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.708 4.232 20.788 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.759 3.845 22.136 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.424 6.336 22.863 1.00 0.00 H new ATOM 0 HG3 GLN A 67 7.087 6.352 21.730 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.089 5.514 22.470 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.923 4.519 23.921 1.00 0.00 H new ATOM 1085 N ALA A 68 9.691 7.701 20.591 1.00 0.00 N ATOM 1086 CA ALA A 68 9.300 9.036 20.114 1.00 0.00 C ATOM 1087 C ALA A 68 9.205 9.006 18.576 1.00 0.00 C ATOM 1088 O ALA A 68 8.229 9.482 17.994 1.00 0.00 O ATOM 1089 CB ALA A 68 10.368 10.071 20.550 1.00 0.00 C ATOM 0 H ALA A 68 10.387 7.705 21.336 1.00 0.00 H new ATOM 0 HA ALA A 68 8.335 9.316 20.537 1.00 0.00 H new ATOM 0 HB1 ALA A 68 10.080 11.061 20.197 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.443 10.081 21.637 1.00 0.00 H new ATOM 0 HB3 ALA A 68 11.333 9.800 20.122 1.00 0.00 H new ATOM 1095 N ASP A 69 10.181 8.358 17.946 1.00 0.00 N ATOM 1096 CA ASP A 69 10.152 8.168 16.494 1.00 0.00 C ATOM 1097 C ASP A 69 8.888 7.391 16.137 1.00 0.00 C ATOM 1098 O ASP A 69 8.131 7.775 15.247 1.00 0.00 O ATOM 1099 CB ASP A 69 11.385 7.367 16.069 1.00 0.00 C ATOM 1100 CG ASP A 69 12.623 8.256 16.154 1.00 0.00 C ATOM 1101 OD1 ASP A 69 12.446 9.459 16.259 1.00 0.00 O ATOM 1102 OD2 ASP A 69 13.722 7.731 16.092 1.00 0.00 O ATOM 0 H ASP A 69 10.996 7.958 18.411 1.00 0.00 H new ATOM 0 HA ASP A 69 10.155 9.131 15.983 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.505 6.495 16.712 1.00 0.00 H new ATOM 0 HB3 ASP A 69 11.259 6.997 15.051 1.00 0.00 H new