USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 662 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 25 LYS NZ :NH3+ -174:sc= 1.14 (180deg=-0.0539) USER MOD Set 1.2: A 29 ASN : amide:sc= 0.288 K(o=2.5,f=-12!) USER MOD Set 1.3: A 76 GLN : amide:sc= 1.09 K(o=2.5,f=-7.3!) USER MOD Single : A 12 HIS : no HD1:sc= -0.218 X(o=-0.22,f=0.0028) USER MOD Single : A 17 LYS NZ :NH3+ -161:sc= 1.42 (180deg=0.582) USER MOD Single : A 24 MET CE :methyl -116:sc= -0.462 (180deg=-2.19!) USER MOD Single : A 27 MET CE :methyl 134:sc= -1.79! (180deg=-2.54!) USER MOD Single : A 31 TYR OH : rot 174:sc= 0.309 USER MOD Single : A 38 SER OG : rot -170:sc= 0.0957 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HE2:sc= 0.591 K(o=0.59,f=-2!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 172:sc= 1.25 (180deg=1.15) USER MOD Single : A 65 ASN : amide:sc= -0.973 K(o=-0.97,f=-6.1!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 7:sc= 1.3 USER MOD Single : A 83 THR OG1 : rot 180:sc= -1.66! USER MOD Single : A 86 SER OG : rot 180:sc= -0.222 USER MOD Single : A 91 SER OG : rot 47:sc= 0.295 USER MOD Single : A 92 TYR OH : rot 150:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 79 N PRO A 6 3.663 -5.971 8.321 1.00 1.35 N ATOM 80 CA PRO A 6 4.182 -6.519 9.588 1.00 43.35 C ATOM 81 C PRO A 6 3.071 -7.105 10.477 1.00 21.50 C ATOM 82 O PRO A 6 1.962 -6.569 10.543 1.00 52.12 O ATOM 83 CB PRO A 6 4.836 -5.301 10.264 1.00 70.20 C ATOM 84 CG PRO A 6 4.152 -4.119 9.663 1.00 43.43 C ATOM 85 CD PRO A 6 3.844 -4.505 8.241 1.00 14.11 C ATOM 0 HA PRO A 6 4.870 -7.348 9.421 1.00 43.35 H new ATOM 0 HB2 PRO A 6 4.701 -5.329 11.345 1.00 70.20 H new ATOM 0 HB3 PRO A 6 5.910 -5.274 10.077 1.00 70.20 H new ATOM 0 HG2 PRO A 6 3.240 -3.875 10.209 1.00 43.43 H new ATOM 0 HG3 PRO A 6 4.791 -3.237 9.699 1.00 43.43 H new ATOM 0 HD2 PRO A 6 2.946 -4.008 7.874 1.00 14.11 H new ATOM 0 HD3 PRO A 6 4.656 -4.236 7.566 1.00 14.11 H new ATOM 93 N ILE A 7 3.375 -8.204 11.162 1.00 42.32 N ATOM 94 CA ILE A 7 2.403 -8.852 12.046 1.00 24.01 C ATOM 95 C ILE A 7 2.201 -8.017 13.321 1.00 35.23 C ATOM 96 O ILE A 7 2.968 -8.117 14.278 1.00 12.10 O ATOM 97 CB ILE A 7 2.829 -10.308 12.416 1.00 24.02 C ATOM 98 CG1 ILE A 7 2.768 -11.239 11.183 1.00 63.03 C ATOM 99 CG2 ILE A 7 1.950 -10.867 13.539 1.00 35.43 C ATOM 100 CD1 ILE A 7 3.753 -10.898 10.080 1.00 33.23 C ATOM 0 H ILE A 7 4.284 -8.666 11.124 1.00 42.32 H new ATOM 0 HA ILE A 7 1.460 -8.914 11.504 1.00 24.01 H new ATOM 0 HB ILE A 7 3.860 -10.268 12.767 1.00 24.02 H new ATOM 0 HG12 ILE A 7 2.949 -12.263 11.509 1.00 63.03 H new ATOM 0 HG13 ILE A 7 1.759 -11.209 10.772 1.00 63.03 H new ATOM 0 HG21 ILE A 7 2.267 -11.882 13.778 1.00 35.43 H new ATOM 0 HG22 ILE A 7 2.047 -10.238 14.424 1.00 35.43 H new ATOM 0 HG23 ILE A 7 0.909 -10.879 13.215 1.00 35.43 H new ATOM 0 HD11 ILE A 7 3.637 -11.604 9.258 1.00 33.23 H new ATOM 0 HD12 ILE A 7 3.561 -9.887 9.720 1.00 33.23 H new ATOM 0 HD13 ILE A 7 4.770 -10.958 10.469 1.00 33.23 H new ATOM 112 N GLU A 8 1.186 -7.157 13.302 1.00 14.23 N ATOM 113 CA GLU A 8 0.896 -6.271 14.432 1.00 32.55 C ATOM 114 C GLU A 8 -0.030 -6.937 15.462 1.00 5.53 C ATOM 115 O GLU A 8 -1.213 -7.169 15.203 1.00 45.02 O ATOM 116 CB GLU A 8 0.271 -4.965 13.926 1.00 32.31 C ATOM 117 CG GLU A 8 -0.054 -3.962 15.030 1.00 21.32 C ATOM 118 CD GLU A 8 -0.655 -2.678 14.484 1.00 13.40 C ATOM 119 OE1 GLU A 8 -1.874 -2.651 14.222 1.00 2.35 O ATOM 120 OE2 GLU A 8 0.095 -1.698 14.291 1.00 51.41 O ATOM 0 H GLU A 8 0.547 -7.053 12.514 1.00 14.23 H new ATOM 0 HA GLU A 8 1.840 -6.054 14.933 1.00 32.55 H new ATOM 0 HB2 GLU A 8 0.954 -4.499 13.216 1.00 32.31 H new ATOM 0 HB3 GLU A 8 -0.644 -5.199 13.382 1.00 32.31 H new ATOM 0 HG2 GLU A 8 -0.750 -4.415 15.736 1.00 21.32 H new ATOM 0 HG3 GLU A 8 0.855 -3.728 15.584 1.00 21.32 H new ATOM 127 N ILE A 9 0.519 -7.247 16.632 1.00 34.35 N ATOM 128 CA ILE A 9 -0.259 -7.824 17.730 1.00 44.55 C ATOM 129 C ILE A 9 -0.120 -6.975 19.005 1.00 33.31 C ATOM 130 O ILE A 9 0.987 -6.780 19.514 1.00 70.42 O ATOM 131 CB ILE A 9 0.190 -9.274 18.038 1.00 74.55 C ATOM 132 CG1 ILE A 9 0.098 -10.151 16.777 1.00 24.20 C ATOM 133 CG2 ILE A 9 -0.657 -9.866 19.163 1.00 33.43 C ATOM 134 CD1 ILE A 9 0.620 -11.564 16.969 1.00 62.12 C ATOM 0 H ILE A 9 1.506 -7.108 16.848 1.00 34.35 H new ATOM 0 HA ILE A 9 -1.302 -7.835 17.412 1.00 44.55 H new ATOM 0 HB ILE A 9 1.230 -9.249 18.362 1.00 74.55 H new ATOM 0 HG12 ILE A 9 -0.942 -10.199 16.455 1.00 24.20 H new ATOM 0 HG13 ILE A 9 0.658 -9.674 15.973 1.00 24.20 H new ATOM 0 HG21 ILE A 9 -0.329 -10.885 19.368 1.00 33.43 H new ATOM 0 HG22 ILE A 9 -0.542 -9.261 20.062 1.00 33.43 H new ATOM 0 HG23 ILE A 9 -1.705 -9.875 18.863 1.00 33.43 H new ATOM 0 HD11 ILE A 9 0.521 -12.118 16.036 1.00 62.12 H new ATOM 0 HD12 ILE A 9 1.670 -11.528 17.260 1.00 62.12 H new ATOM 0 HD13 ILE A 9 0.044 -12.062 17.750 1.00 62.12 H new ATOM 146 N ALA A 10 -1.247 -6.464 19.511 1.00 23.11 N ATOM 147 CA ALA A 10 -1.259 -5.652 20.739 1.00 62.43 C ATOM 148 C ALA A 10 -0.328 -4.431 20.631 1.00 31.10 C ATOM 149 O ALA A 10 0.286 -4.013 21.614 1.00 61.02 O ATOM 150 CB ALA A 10 -0.877 -6.516 21.940 1.00 41.13 C ATOM 0 H ALA A 10 -2.167 -6.597 19.090 1.00 23.11 H new ATOM 0 HA ALA A 10 -2.271 -5.272 20.878 1.00 62.43 H new ATOM 0 HB1 ALA A 10 -0.888 -5.907 22.844 1.00 41.13 H new ATOM 0 HB2 ALA A 10 -1.592 -7.332 22.043 1.00 41.13 H new ATOM 0 HB3 ALA A 10 0.122 -6.925 21.791 1.00 41.13 H new ATOM 156 N GLY A 11 -0.236 -3.864 19.430 1.00 54.52 N ATOM 157 CA GLY A 11 0.643 -2.720 19.198 1.00 51.20 C ATOM 158 C GLY A 11 2.027 -3.118 18.683 1.00 42.54 C ATOM 159 O GLY A 11 2.689 -2.338 17.994 1.00 1.24 O ATOM 0 H GLY A 11 -0.755 -4.175 18.609 1.00 54.52 H new ATOM 0 HA2 GLY A 11 0.174 -2.050 18.478 1.00 51.20 H new ATOM 0 HA3 GLY A 11 0.755 -2.162 20.127 1.00 51.20 H new ATOM 163 N HIS A 12 2.457 -4.337 19.008 1.00 13.32 N ATOM 164 CA HIS A 12 3.780 -4.835 18.609 1.00 14.40 C ATOM 165 C HIS A 12 3.805 -5.226 17.123 1.00 15.11 C ATOM 166 O HIS A 12 3.108 -6.153 16.711 1.00 63.41 O ATOM 167 CB HIS A 12 4.166 -6.049 19.466 1.00 21.12 C ATOM 168 CG HIS A 12 4.223 -5.772 20.941 1.00 60.40 C ATOM 169 ND1 HIS A 12 5.385 -5.858 21.674 1.00 52.20 N ATOM 170 CD2 HIS A 12 3.250 -5.439 21.828 1.00 4.40 C ATOM 171 CE1 HIS A 12 5.129 -5.597 22.939 1.00 4.23 C ATOM 172 NE2 HIS A 12 3.845 -5.338 23.063 1.00 4.42 N ATOM 0 H HIS A 12 1.907 -5.004 19.550 1.00 13.32 H new ATOM 0 HA HIS A 12 4.500 -4.032 18.765 1.00 14.40 H new ATOM 0 HB2 HIS A 12 3.448 -6.849 19.286 1.00 21.12 H new ATOM 0 HB3 HIS A 12 5.139 -6.415 19.139 1.00 21.12 H new ATOM 0 HD2 HIS A 12 2.205 -5.283 21.605 1.00 4.40 H new ATOM 0 HE1 HIS A 12 5.852 -5.596 23.741 1.00 4.23 H new ATOM 0 HE2 HIS A 12 3.369 -5.101 23.933 1.00 4.42 H new ATOM 181 N GLU A 13 4.606 -4.520 16.327 1.00 13.11 N ATOM 182 CA GLU A 13 4.724 -4.808 14.891 1.00 1.02 C ATOM 183 C GLU A 13 5.907 -5.751 14.610 1.00 32.40 C ATOM 184 O GLU A 13 7.072 -5.350 14.687 1.00 51.13 O ATOM 185 CB GLU A 13 4.891 -3.503 14.097 1.00 44.41 C ATOM 186 CG GLU A 13 3.740 -2.516 14.277 1.00 21.22 C ATOM 187 CD GLU A 13 3.962 -1.214 13.519 1.00 0.41 C ATOM 188 OE1 GLU A 13 4.777 -0.388 13.980 1.00 21.52 O ATOM 189 OE2 GLU A 13 3.338 -1.013 12.453 1.00 22.51 O ATOM 0 H GLU A 13 5.185 -3.744 16.648 1.00 13.11 H new ATOM 0 HA GLU A 13 3.808 -5.305 14.572 1.00 1.02 H new ATOM 0 HB2 GLU A 13 5.820 -3.021 14.401 1.00 44.41 H new ATOM 0 HB3 GLU A 13 4.988 -3.744 13.038 1.00 44.41 H new ATOM 0 HG2 GLU A 13 2.814 -2.978 13.936 1.00 21.22 H new ATOM 0 HG3 GLU A 13 3.615 -2.298 15.338 1.00 21.22 H new ATOM 196 N PHE A 14 5.603 -7.007 14.296 1.00 24.35 N ATOM 197 CA PHE A 14 6.637 -8.014 14.029 1.00 64.30 C ATOM 198 C PHE A 14 6.994 -8.087 12.536 1.00 61.31 C ATOM 199 O PHE A 14 6.117 -8.028 11.673 1.00 53.01 O ATOM 200 CB PHE A 14 6.173 -9.386 14.531 1.00 43.55 C ATOM 201 CG PHE A 14 5.946 -9.423 16.022 1.00 30.01 C ATOM 202 CD1 PHE A 14 7.016 -9.556 16.896 1.00 73.13 C ATOM 203 CD2 PHE A 14 4.667 -9.323 16.549 1.00 12.31 C ATOM 204 CE1 PHE A 14 6.813 -9.587 18.261 1.00 31.20 C ATOM 205 CE2 PHE A 14 4.460 -9.355 17.914 1.00 21.52 C ATOM 206 CZ PHE A 14 5.535 -9.487 18.771 1.00 54.34 C ATOM 0 H PHE A 14 4.648 -7.357 14.219 1.00 24.35 H new ATOM 0 HA PHE A 14 7.537 -7.716 14.566 1.00 64.30 H new ATOM 0 HB2 PHE A 14 5.249 -9.660 14.022 1.00 43.55 H new ATOM 0 HB3 PHE A 14 6.918 -10.135 14.264 1.00 43.55 H new ATOM 0 HD1 PHE A 14 8.019 -9.636 16.504 1.00 73.13 H new ATOM 0 HD2 PHE A 14 3.823 -9.219 15.884 1.00 12.31 H new ATOM 0 HE1 PHE A 14 7.655 -9.690 18.930 1.00 31.20 H new ATOM 0 HE2 PHE A 14 3.459 -9.277 18.311 1.00 21.52 H new ATOM 0 HZ PHE A 14 5.375 -9.512 19.839 1.00 54.34 H new ATOM 216 N ALA A 15 8.288 -8.232 12.246 1.00 15.44 N ATOM 217 CA ALA A 15 8.784 -8.281 10.861 1.00 3.33 C ATOM 218 C ALA A 15 8.176 -9.454 10.073 1.00 73.35 C ATOM 219 O ALA A 15 7.924 -9.347 8.873 1.00 64.54 O ATOM 220 CB ALA A 15 10.307 -8.371 10.854 1.00 64.31 C ATOM 0 H ALA A 15 9.018 -8.318 12.953 1.00 15.44 H new ATOM 0 HA ALA A 15 8.473 -7.361 10.366 1.00 3.33 H new ATOM 0 HB1 ALA A 15 10.665 -8.407 9.825 1.00 64.31 H new ATOM 0 HB2 ALA A 15 10.725 -7.497 11.353 1.00 64.31 H new ATOM 0 HB3 ALA A 15 10.621 -9.274 11.379 1.00 64.31 H new ATOM 226 N ARG A 16 7.948 -10.571 10.757 1.00 44.23 N ATOM 227 CA ARG A 16 7.336 -11.756 10.142 1.00 0.54 C ATOM 228 C ARG A 16 6.707 -12.661 11.214 1.00 31.13 C ATOM 229 O ARG A 16 6.884 -12.428 12.412 1.00 44.22 O ATOM 230 CB ARG A 16 8.377 -12.539 9.320 1.00 12.32 C ATOM 231 CG ARG A 16 9.565 -13.052 10.130 1.00 55.02 C ATOM 232 CD ARG A 16 10.531 -13.851 9.257 1.00 3.04 C ATOM 233 NE ARG A 16 11.628 -14.432 10.028 1.00 42.23 N ATOM 234 CZ ARG A 16 12.424 -15.369 9.580 1.00 44.54 C ATOM 235 NH1 ARG A 16 12.276 -15.851 8.388 1.00 71.24 N ATOM 236 NH2 ARG A 16 13.369 -15.832 10.329 1.00 4.13 N ATOM 0 H ARG A 16 8.178 -10.686 11.744 1.00 44.23 H new ATOM 0 HA ARG A 16 6.547 -11.421 9.469 1.00 0.54 H new ATOM 0 HB2 ARG A 16 7.884 -13.387 8.845 1.00 12.32 H new ATOM 0 HB3 ARG A 16 8.748 -11.897 8.521 1.00 12.32 H new ATOM 0 HG2 ARG A 16 10.091 -12.210 10.581 1.00 55.02 H new ATOM 0 HG3 ARG A 16 9.207 -13.679 10.947 1.00 55.02 H new ATOM 0 HD2 ARG A 16 9.985 -14.647 8.750 1.00 3.04 H new ATOM 0 HD3 ARG A 16 10.939 -13.201 8.483 1.00 3.04 H new ATOM 0 HE ARG A 16 11.783 -14.085 10.975 1.00 42.23 H new ATOM 0 HH11 ARG A 16 11.532 -15.501 7.785 1.00 71.24 H new ATOM 0 HH12 ARG A 16 12.904 -16.581 8.052 1.00 71.24 H new ATOM 0 HH21 ARG A 16 13.497 -15.467 11.273 1.00 4.13 H new ATOM 0 HH22 ARG A 16 13.988 -16.562 9.977 1.00 4.13 H new ATOM 250 N LYS A 17 5.979 -13.696 10.789 1.00 10.12 N ATOM 251 CA LYS A 17 5.329 -14.613 11.734 1.00 51.21 C ATOM 252 C LYS A 17 6.354 -15.246 12.689 1.00 54.23 C ATOM 253 O LYS A 17 6.102 -15.367 13.887 1.00 21.22 O ATOM 254 CB LYS A 17 4.541 -15.707 10.991 1.00 42.53 C ATOM 255 CG LYS A 17 3.865 -16.717 11.921 1.00 55.43 C ATOM 256 CD LYS A 17 2.865 -16.043 12.859 1.00 14.42 C ATOM 257 CE LYS A 17 2.269 -17.024 13.860 1.00 53.03 C ATOM 258 NZ LYS A 17 1.620 -18.186 13.197 1.00 25.50 N ATOM 0 H LYS A 17 5.824 -13.921 9.806 1.00 10.12 H new ATOM 0 HA LYS A 17 4.627 -14.028 12.328 1.00 51.21 H new ATOM 0 HB2 LYS A 17 3.781 -15.235 10.368 1.00 42.53 H new ATOM 0 HB3 LYS A 17 5.217 -16.239 10.322 1.00 42.53 H new ATOM 0 HG2 LYS A 17 3.353 -17.473 11.326 1.00 55.43 H new ATOM 0 HG3 LYS A 17 4.623 -17.234 12.509 1.00 55.43 H new ATOM 0 HD2 LYS A 17 3.360 -15.234 13.396 1.00 14.42 H new ATOM 0 HD3 LYS A 17 2.064 -15.593 12.272 1.00 14.42 H new ATOM 0 HE2 LYS A 17 3.054 -17.381 14.526 1.00 53.03 H new ATOM 0 HE3 LYS A 17 1.536 -16.507 14.479 1.00 53.03 H new ATOM 0 HZ1 LYS A 17 0.966 -18.645 13.863 1.00 25.50 H new ATOM 0 HZ2 LYS A 17 1.092 -17.859 12.363 1.00 25.50 H new ATOM 0 HZ3 LYS A 17 2.348 -18.868 12.901 1.00 25.50 H new ATOM 272 N ALA A 18 7.509 -15.635 12.154 1.00 44.31 N ATOM 273 CA ALA A 18 8.597 -16.188 12.972 1.00 60.32 C ATOM 274 C ALA A 18 9.072 -15.185 14.039 1.00 53.25 C ATOM 275 O ALA A 18 9.418 -15.567 15.161 1.00 3.44 O ATOM 276 CB ALA A 18 9.763 -16.606 12.085 1.00 10.43 C ATOM 0 H ALA A 18 7.720 -15.579 11.158 1.00 44.31 H new ATOM 0 HA ALA A 18 8.209 -17.065 13.491 1.00 60.32 H new ATOM 0 HB1 ALA A 18 10.563 -17.014 12.703 1.00 10.43 H new ATOM 0 HB2 ALA A 18 9.428 -17.365 11.378 1.00 10.43 H new ATOM 0 HB3 ALA A 18 10.134 -15.739 11.539 1.00 10.43 H new ATOM 282 N ASP A 19 9.075 -13.902 13.681 1.00 53.11 N ATOM 283 CA ASP A 19 9.444 -12.831 14.613 1.00 13.42 C ATOM 284 C ASP A 19 8.406 -12.727 15.746 1.00 53.34 C ATOM 285 O ASP A 19 8.750 -12.514 16.911 1.00 33.33 O ATOM 286 CB ASP A 19 9.565 -11.504 13.845 1.00 63.14 C ATOM 287 CG ASP A 19 10.126 -10.368 14.686 1.00 43.35 C ATOM 288 OD1 ASP A 19 11.163 -10.571 15.350 1.00 14.03 O ATOM 289 OD2 ASP A 19 9.549 -9.261 14.659 1.00 23.33 O ATOM 0 H ASP A 19 8.825 -13.575 12.748 1.00 53.11 H new ATOM 0 HA ASP A 19 10.408 -13.059 15.067 1.00 13.42 H new ATOM 0 HB2 ASP A 19 10.205 -11.653 12.976 1.00 63.14 H new ATOM 0 HB3 ASP A 19 8.582 -11.218 13.471 1.00 63.14 H new ATOM 294 N ALA A 20 7.132 -12.899 15.390 1.00 62.11 N ATOM 295 CA ALA A 20 6.049 -12.963 16.378 1.00 12.43 C ATOM 296 C ALA A 20 6.163 -14.230 17.242 1.00 72.40 C ATOM 297 O ALA A 20 5.895 -14.206 18.446 1.00 33.11 O ATOM 298 CB ALA A 20 4.693 -12.912 15.681 1.00 54.54 C ATOM 0 H ALA A 20 6.822 -12.997 14.423 1.00 62.11 H new ATOM 0 HA ALA A 20 6.138 -12.098 17.036 1.00 12.43 H new ATOM 0 HB1 ALA A 20 3.899 -12.960 16.426 1.00 54.54 H new ATOM 0 HB2 ALA A 20 4.607 -11.982 15.119 1.00 54.54 H new ATOM 0 HB3 ALA A 20 4.602 -13.757 14.999 1.00 54.54 H new ATOM 304 N LEU A 21 6.570 -15.337 16.619 1.00 30.22 N ATOM 305 CA LEU A 21 6.791 -16.595 17.339 1.00 10.10 C ATOM 306 C LEU A 21 7.934 -16.452 18.351 1.00 72.31 C ATOM 307 O LEU A 21 7.921 -17.077 19.409 1.00 71.41 O ATOM 308 CB LEU A 21 7.101 -17.736 16.356 1.00 21.34 C ATOM 309 CG LEU A 21 5.965 -18.092 15.383 1.00 24.22 C ATOM 310 CD1 LEU A 21 6.367 -19.248 14.470 1.00 71.31 C ATOM 311 CD2 LEU A 21 4.690 -18.426 16.151 1.00 44.04 C ATOM 0 H LEU A 21 6.754 -15.389 15.617 1.00 30.22 H new ATOM 0 HA LEU A 21 5.876 -16.835 17.880 1.00 10.10 H new ATOM 0 HB2 LEU A 21 7.982 -17.464 15.775 1.00 21.34 H new ATOM 0 HB3 LEU A 21 7.359 -18.627 16.929 1.00 21.34 H new ATOM 0 HG LEU A 21 5.771 -17.223 14.755 1.00 24.22 H new ATOM 0 HD11 LEU A 21 5.545 -19.479 13.792 1.00 71.31 H new ATOM 0 HD12 LEU A 21 7.246 -18.966 13.891 1.00 71.31 H new ATOM 0 HD13 LEU A 21 6.597 -20.126 15.074 1.00 71.31 H new ATOM 0 HD21 LEU A 21 3.896 -18.676 15.447 1.00 44.04 H new ATOM 0 HD22 LEU A 21 4.873 -19.276 16.808 1.00 44.04 H new ATOM 0 HD23 LEU A 21 4.388 -17.565 16.748 1.00 44.04 H new ATOM 323 N ALA A 22 8.914 -15.612 18.021 1.00 61.44 N ATOM 324 CA ALA A 22 10.033 -15.336 18.927 1.00 1.35 C ATOM 325 C ALA A 22 9.557 -14.695 20.239 1.00 64.42 C ATOM 326 O ALA A 22 10.241 -14.762 21.255 1.00 53.21 O ATOM 327 CB ALA A 22 11.057 -14.443 18.238 1.00 44.43 C ATOM 0 H ALA A 22 8.958 -15.110 17.134 1.00 61.44 H new ATOM 0 HA ALA A 22 10.501 -16.288 19.179 1.00 1.35 H new ATOM 0 HB1 ALA A 22 11.884 -14.244 18.920 1.00 44.43 H new ATOM 0 HB2 ALA A 22 11.434 -14.943 17.346 1.00 44.43 H new ATOM 0 HB3 ALA A 22 10.586 -13.502 17.954 1.00 44.43 H new ATOM 333 N PHE A 23 8.387 -14.065 20.204 1.00 40.23 N ATOM 334 CA PHE A 23 7.770 -13.509 21.411 1.00 32.23 C ATOM 335 C PHE A 23 6.831 -14.545 22.057 1.00 53.11 C ATOM 336 O PHE A 23 7.002 -14.923 23.216 1.00 32.04 O ATOM 337 CB PHE A 23 6.995 -12.228 21.059 1.00 63.35 C ATOM 338 CG PHE A 23 6.446 -11.489 22.255 1.00 42.04 C ATOM 339 CD1 PHE A 23 7.245 -10.607 22.970 1.00 4.03 C ATOM 340 CD2 PHE A 23 5.132 -11.670 22.664 1.00 31.34 C ATOM 341 CE1 PHE A 23 6.746 -9.924 24.064 1.00 45.35 C ATOM 342 CE2 PHE A 23 4.629 -10.989 23.757 1.00 23.33 C ATOM 343 CZ PHE A 23 5.436 -10.115 24.458 1.00 11.41 C ATOM 0 H PHE A 23 7.843 -13.925 19.352 1.00 40.23 H new ATOM 0 HA PHE A 23 8.553 -13.261 22.127 1.00 32.23 H new ATOM 0 HB2 PHE A 23 7.653 -11.560 20.504 1.00 63.35 H new ATOM 0 HB3 PHE A 23 6.170 -12.487 20.396 1.00 63.35 H new ATOM 0 HD1 PHE A 23 8.270 -10.452 22.668 1.00 4.03 H new ATOM 0 HD2 PHE A 23 4.494 -12.352 22.121 1.00 31.34 H new ATOM 0 HE1 PHE A 23 7.380 -9.242 24.610 1.00 45.35 H new ATOM 0 HE2 PHE A 23 3.604 -11.141 24.063 1.00 23.33 H new ATOM 0 HZ PHE A 23 5.044 -9.582 25.312 1.00 11.41 H new ATOM 353 N MET A 24 5.855 -15.021 21.280 1.00 14.35 N ATOM 354 CA MET A 24 4.840 -15.961 21.781 1.00 1.23 C ATOM 355 C MET A 24 5.445 -17.272 22.309 1.00 22.43 C ATOM 356 O MET A 24 5.072 -17.739 23.388 1.00 24.41 O ATOM 357 CB MET A 24 3.803 -16.260 20.689 1.00 24.33 C ATOM 358 CG MET A 24 2.886 -15.084 20.388 1.00 74.24 C ATOM 359 SD MET A 24 1.627 -15.473 19.154 1.00 60.32 S ATOM 360 CE MET A 24 2.629 -15.659 17.683 1.00 60.13 C ATOM 0 H MET A 24 5.743 -14.772 20.297 1.00 14.35 H new ATOM 0 HA MET A 24 4.353 -15.474 22.626 1.00 1.23 H new ATOM 0 HB2 MET A 24 4.322 -16.550 19.775 1.00 24.33 H new ATOM 0 HB3 MET A 24 3.198 -17.113 20.996 1.00 24.33 H new ATOM 0 HG2 MET A 24 2.398 -14.765 21.309 1.00 74.24 H new ATOM 0 HG3 MET A 24 3.485 -14.244 20.037 1.00 74.24 H new ATOM 0 HE1 MET A 24 2.363 -14.887 16.961 1.00 60.13 H new ATOM 0 HE2 MET A 24 3.682 -15.563 17.946 1.00 60.13 H new ATOM 0 HE3 MET A 24 2.453 -16.641 17.245 1.00 60.13 H new ATOM 370 N LYS A 25 6.376 -17.871 21.562 1.00 51.31 N ATOM 371 CA LYS A 25 6.969 -19.146 21.981 1.00 33.12 C ATOM 372 C LYS A 25 7.744 -18.999 23.294 1.00 32.53 C ATOM 373 O LYS A 25 7.650 -19.854 24.172 1.00 31.11 O ATOM 374 CB LYS A 25 7.889 -19.739 20.905 1.00 52.02 C ATOM 375 CG LYS A 25 8.469 -21.096 21.308 1.00 0.40 C ATOM 376 CD LYS A 25 9.343 -21.710 20.220 1.00 51.03 C ATOM 377 CE LYS A 25 9.912 -23.059 20.656 1.00 51.44 C ATOM 378 NZ LYS A 25 10.806 -22.939 21.842 1.00 44.21 N ATOM 0 H LYS A 25 6.731 -17.503 20.680 1.00 51.31 H new ATOM 0 HA LYS A 25 6.137 -19.833 22.135 1.00 33.12 H new ATOM 0 HB2 LYS A 25 7.331 -19.849 19.975 1.00 52.02 H new ATOM 0 HB3 LYS A 25 8.705 -19.044 20.707 1.00 52.02 H new ATOM 0 HG2 LYS A 25 9.058 -20.979 22.218 1.00 0.40 H new ATOM 0 HG3 LYS A 25 7.653 -21.780 21.542 1.00 0.40 H new ATOM 0 HD2 LYS A 25 8.757 -21.838 19.310 1.00 51.03 H new ATOM 0 HD3 LYS A 25 10.160 -21.029 19.980 1.00 51.03 H new ATOM 0 HE2 LYS A 25 9.092 -23.738 20.889 1.00 51.44 H new ATOM 0 HE3 LYS A 25 10.467 -23.501 19.829 1.00 51.44 H new ATOM 0 HZ1 LYS A 25 11.247 -23.860 22.039 1.00 44.21 H new ATOM 0 HZ2 LYS A 25 11.546 -22.235 21.649 1.00 44.21 H new ATOM 0 HZ3 LYS A 25 10.249 -22.639 22.667 1.00 44.21 H new ATOM 392 N VAL A 26 8.503 -17.914 23.432 1.00 71.51 N ATOM 393 CA VAL A 26 9.274 -17.683 24.655 1.00 50.13 C ATOM 394 C VAL A 26 8.352 -17.497 25.870 1.00 30.41 C ATOM 395 O VAL A 26 8.662 -17.973 26.961 1.00 11.11 O ATOM 396 CB VAL A 26 10.228 -16.471 24.529 1.00 31.14 C ATOM 397 CG1 VAL A 26 11.009 -16.271 25.826 1.00 71.34 C ATOM 398 CG2 VAL A 26 11.181 -16.662 23.349 1.00 74.53 C ATOM 0 H VAL A 26 8.601 -17.188 22.722 1.00 71.51 H new ATOM 0 HA VAL A 26 9.883 -18.574 24.805 1.00 50.13 H new ATOM 0 HB VAL A 26 9.632 -15.577 24.346 1.00 31.14 H new ATOM 0 HG11 VAL A 26 11.675 -15.415 25.721 1.00 71.34 H new ATOM 0 HG12 VAL A 26 10.313 -16.091 26.646 1.00 71.34 H new ATOM 0 HG13 VAL A 26 11.597 -17.164 26.038 1.00 71.34 H new ATOM 0 HG21 VAL A 26 11.845 -15.801 23.274 1.00 74.53 H new ATOM 0 HG22 VAL A 26 11.773 -17.564 23.502 1.00 74.53 H new ATOM 0 HG23 VAL A 26 10.605 -16.757 22.428 1.00 74.53 H new ATOM 408 N MET A 27 7.219 -16.812 25.684 1.00 2.41 N ATOM 409 CA MET A 27 6.209 -16.717 26.750 1.00 71.22 C ATOM 410 C MET A 27 5.715 -18.120 27.123 1.00 52.30 C ATOM 411 O MET A 27 5.683 -18.491 28.294 1.00 43.41 O ATOM 412 CB MET A 27 5.014 -15.845 26.328 1.00 21.33 C ATOM 413 CG MET A 27 5.393 -14.434 25.903 1.00 40.30 C ATOM 414 SD MET A 27 3.967 -13.332 25.785 1.00 33.51 S ATOM 415 CE MET A 27 2.921 -14.219 24.633 1.00 13.32 C ATOM 0 H MET A 27 6.978 -16.322 24.822 1.00 2.41 H new ATOM 0 HA MET A 27 6.680 -16.246 27.613 1.00 71.22 H new ATOM 0 HB2 MET A 27 4.495 -16.334 25.504 1.00 21.33 H new ATOM 0 HB3 MET A 27 4.310 -15.786 27.158 1.00 21.33 H new ATOM 0 HG2 MET A 27 6.106 -14.023 26.618 1.00 40.30 H new ATOM 0 HG3 MET A 27 5.897 -14.473 24.937 1.00 40.30 H new ATOM 0 HE1 MET A 27 1.898 -14.236 25.009 1.00 13.32 H new ATOM 0 HE2 MET A 27 2.943 -13.720 23.664 1.00 13.32 H new ATOM 0 HE3 MET A 27 3.285 -15.241 24.524 1.00 13.32 H new ATOM 425 N LEU A 28 5.357 -18.898 26.103 1.00 73.51 N ATOM 426 CA LEU A 28 4.925 -20.288 26.284 1.00 11.33 C ATOM 427 C LEU A 28 5.961 -21.089 27.095 1.00 23.12 C ATOM 428 O LEU A 28 5.620 -21.772 28.059 1.00 12.02 O ATOM 429 CB LEU A 28 4.719 -20.938 24.908 1.00 21.54 C ATOM 430 CG LEU A 28 4.057 -22.324 24.917 1.00 24.51 C ATOM 431 CD1 LEU A 28 2.606 -22.225 25.378 1.00 51.20 C ATOM 432 CD2 LEU A 28 4.148 -22.970 23.537 1.00 44.30 C ATOM 0 H LEU A 28 5.357 -18.587 25.131 1.00 73.51 H new ATOM 0 HA LEU A 28 3.987 -20.293 26.839 1.00 11.33 H new ATOM 0 HB2 LEU A 28 4.111 -20.269 24.299 1.00 21.54 H new ATOM 0 HB3 LEU A 28 5.689 -21.022 24.418 1.00 21.54 H new ATOM 0 HG LEU A 28 4.593 -22.957 25.624 1.00 24.51 H new ATOM 0 HD11 LEU A 28 2.155 -23.218 25.377 1.00 51.20 H new ATOM 0 HD12 LEU A 28 2.572 -21.812 26.386 1.00 51.20 H new ATOM 0 HD13 LEU A 28 2.053 -21.575 24.701 1.00 51.20 H new ATOM 0 HD21 LEU A 28 3.674 -23.951 23.563 1.00 44.30 H new ATOM 0 HD22 LEU A 28 3.640 -22.340 22.806 1.00 44.30 H new ATOM 0 HD23 LEU A 28 5.195 -23.080 23.255 1.00 44.30 H new ATOM 444 N ASN A 29 7.228 -20.976 26.695 1.00 33.40 N ATOM 445 CA ASN A 29 8.336 -21.667 27.370 1.00 74.40 C ATOM 446 C ASN A 29 8.636 -21.054 28.750 1.00 1.43 C ATOM 447 O ASN A 29 9.187 -21.717 29.631 1.00 33.41 O ATOM 448 CB ASN A 29 9.601 -21.613 26.497 1.00 43.14 C ATOM 449 CG ASN A 29 9.399 -22.202 25.107 1.00 0.24 C ATOM 450 OD1 ASN A 29 10.040 -21.793 24.145 1.00 61.10 O ATOM 451 ND2 ASN A 29 8.506 -23.161 24.985 1.00 11.14 N ATOM 0 H ASN A 29 7.518 -20.407 25.899 1.00 33.40 H new ATOM 0 HA ASN A 29 8.034 -22.703 27.520 1.00 74.40 H new ATOM 0 HB2 ASN A 29 9.924 -20.576 26.401 1.00 43.14 H new ATOM 0 HB3 ASN A 29 10.404 -22.152 26.999 1.00 43.14 H new ATOM 0 HD21 ASN A 29 8.333 -23.584 24.073 1.00 11.14 H new ATOM 0 HD22 ASN A 29 7.987 -23.482 25.803 1.00 11.14 H new ATOM 458 N ARG A 30 8.286 -19.782 28.922 1.00 73.12 N ATOM 459 CA ARG A 30 8.484 -19.081 30.195 1.00 24.10 C ATOM 460 C ARG A 30 7.571 -19.665 31.285 1.00 64.31 C ATOM 461 O ARG A 30 7.941 -19.725 32.460 1.00 21.21 O ATOM 462 CB ARG A 30 8.232 -17.573 30.000 1.00 71.00 C ATOM 463 CG ARG A 30 8.545 -16.700 31.219 1.00 12.02 C ATOM 464 CD ARG A 30 7.335 -16.506 32.133 1.00 41.32 C ATOM 465 NE ARG A 30 7.684 -15.760 33.339 1.00 45.25 N ATOM 466 CZ ARG A 30 6.981 -14.779 33.838 1.00 34.31 C ATOM 467 NH1 ARG A 30 5.904 -14.361 33.251 1.00 22.10 N ATOM 468 NH2 ARG A 30 7.377 -14.201 34.924 1.00 22.35 N ATOM 0 H ARG A 30 7.861 -19.210 28.193 1.00 73.12 H new ATOM 0 HA ARG A 30 9.514 -19.220 30.524 1.00 24.10 H new ATOM 0 HB2 ARG A 30 8.833 -17.226 29.160 1.00 71.00 H new ATOM 0 HB3 ARG A 30 7.187 -17.427 29.727 1.00 71.00 H new ATOM 0 HG2 ARG A 30 9.356 -17.155 31.788 1.00 12.02 H new ATOM 0 HG3 ARG A 30 8.900 -15.726 30.882 1.00 12.02 H new ATOM 0 HD2 ARG A 30 6.551 -15.977 31.592 1.00 41.32 H new ATOM 0 HD3 ARG A 30 6.929 -17.479 32.411 1.00 41.32 H new ATOM 0 HE ARG A 30 8.540 -16.025 33.827 1.00 45.25 H new ATOM 0 HH11 ARG A 30 5.593 -14.800 32.384 1.00 22.10 H new ATOM 0 HH12 ARG A 30 5.368 -13.593 33.656 1.00 22.10 H new ATOM 0 HH21 ARG A 30 8.232 -14.512 35.384 1.00 22.35 H new ATOM 0 HH22 ARG A 30 6.834 -13.434 35.321 1.00 22.35 H new ATOM 482 N TYR A 31 6.377 -20.094 30.888 1.00 71.43 N ATOM 483 CA TYR A 31 5.453 -20.770 31.802 1.00 12.23 C ATOM 484 C TYR A 31 5.553 -22.294 31.633 1.00 5.13 C ATOM 485 O TYR A 31 5.983 -22.790 30.590 1.00 21.30 O ATOM 486 CB TYR A 31 4.010 -20.307 31.548 1.00 32.11 C ATOM 487 CG TYR A 31 3.820 -18.803 31.656 1.00 25.54 C ATOM 488 CD1 TYR A 31 3.555 -18.194 32.879 1.00 1.32 C ATOM 489 CD2 TYR A 31 3.921 -17.990 30.532 1.00 64.12 C ATOM 490 CE1 TYR A 31 3.397 -16.822 32.974 1.00 4.24 C ATOM 491 CE2 TYR A 31 3.762 -16.623 30.620 1.00 51.15 C ATOM 492 CZ TYR A 31 3.502 -16.042 31.840 1.00 12.30 C ATOM 493 OH TYR A 31 3.362 -14.675 31.928 1.00 32.41 O ATOM 0 H TYR A 31 6.023 -19.987 29.937 1.00 71.43 H new ATOM 0 HA TYR A 31 5.729 -20.510 32.824 1.00 12.23 H new ATOM 0 HB2 TYR A 31 3.704 -20.632 30.554 1.00 32.11 H new ATOM 0 HB3 TYR A 31 3.349 -20.799 32.262 1.00 32.11 H new ATOM 0 HD1 TYR A 31 3.471 -18.801 33.768 1.00 1.32 H new ATOM 0 HD2 TYR A 31 4.128 -18.438 29.571 1.00 64.12 H new ATOM 0 HE1 TYR A 31 3.193 -16.364 33.931 1.00 4.24 H new ATOM 0 HE2 TYR A 31 3.841 -16.010 29.734 1.00 51.15 H new ATOM 0 HH TYR A 31 3.560 -14.269 31.058 1.00 32.41 H new ATOM 503 N ARG A 32 5.171 -23.037 32.661 1.00 44.41 N ATOM 504 CA ARG A 32 5.188 -24.501 32.599 1.00 63.12 C ATOM 505 C ARG A 32 3.895 -25.029 31.957 1.00 24.14 C ATOM 506 O ARG A 32 2.910 -24.298 31.854 1.00 23.41 O ATOM 507 CB ARG A 32 5.351 -25.078 34.008 1.00 43.12 C ATOM 508 CG ARG A 32 6.636 -24.645 34.707 1.00 71.22 C ATOM 509 CD ARG A 32 6.616 -25.034 36.175 1.00 43.15 C ATOM 510 NE ARG A 32 5.413 -24.532 36.826 1.00 51.53 N ATOM 511 CZ ARG A 32 4.991 -24.901 37.997 1.00 60.44 C ATOM 512 NH1 ARG A 32 5.651 -25.763 38.700 1.00 2.35 N ATOM 513 NH2 ARG A 32 3.893 -24.401 38.459 1.00 12.54 N ATOM 0 H ARG A 32 4.845 -22.656 33.549 1.00 44.41 H new ATOM 0 HA ARG A 32 6.031 -24.816 31.984 1.00 63.12 H new ATOM 0 HB2 ARG A 32 4.498 -24.775 34.615 1.00 43.12 H new ATOM 0 HB3 ARG A 32 5.329 -26.166 33.949 1.00 43.12 H new ATOM 0 HG2 ARG A 32 7.494 -25.106 34.217 1.00 71.22 H new ATOM 0 HG3 ARG A 32 6.758 -23.566 34.615 1.00 71.22 H new ATOM 0 HD2 ARG A 32 6.660 -26.119 36.269 1.00 43.15 H new ATOM 0 HD3 ARG A 32 7.499 -24.634 36.674 1.00 43.15 H new ATOM 0 HE ARG A 32 4.860 -23.838 36.323 1.00 51.53 H new ATOM 0 HH11 ARG A 32 6.516 -26.163 38.336 1.00 2.35 H new ATOM 0 HH12 ARG A 32 5.307 -26.043 39.618 1.00 2.35 H new ATOM 0 HH21 ARG A 32 3.368 -23.724 37.905 1.00 12.54 H new ATOM 0 HH22 ARG A 32 3.551 -24.683 39.378 1.00 12.54 H new ATOM 527 N PRO A 33 3.873 -26.303 31.514 1.00 31.14 N ATOM 528 CA PRO A 33 2.676 -26.921 30.895 1.00 22.20 C ATOM 529 C PRO A 33 1.469 -27.095 31.854 1.00 1.31 C ATOM 530 O PRO A 33 0.670 -28.022 31.686 1.00 43.34 O ATOM 531 CB PRO A 33 3.192 -28.299 30.429 1.00 44.43 C ATOM 532 CG PRO A 33 4.680 -28.176 30.415 1.00 31.43 C ATOM 533 CD PRO A 33 5.013 -27.237 31.534 1.00 53.14 C ATOM 0 HA PRO A 33 2.283 -26.285 30.102 1.00 22.20 H new ATOM 0 HB2 PRO A 33 2.869 -29.090 31.106 1.00 44.43 H new ATOM 0 HB3 PRO A 33 2.808 -28.549 29.440 1.00 44.43 H new ATOM 0 HG2 PRO A 33 5.156 -29.146 30.561 1.00 31.43 H new ATOM 0 HG3 PRO A 33 5.033 -27.789 29.459 1.00 31.43 H new ATOM 0 HD2 PRO A 33 5.096 -27.756 32.489 1.00 53.14 H new ATOM 0 HD3 PRO A 33 5.961 -26.725 31.366 1.00 53.14 H new ATOM 541 N GLY A 34 1.317 -26.193 32.827 1.00 53.34 N ATOM 542 CA GLY A 34 0.179 -26.251 33.736 1.00 42.13 C ATOM 543 C GLY A 34 -0.010 -24.975 34.557 1.00 13.34 C ATOM 544 O GLY A 34 -0.442 -25.035 35.711 1.00 33.33 O ATOM 0 H GLY A 34 1.963 -25.423 33.001 1.00 53.34 H new ATOM 0 HA2 GLY A 34 -0.727 -26.441 33.160 1.00 42.13 H new ATOM 0 HA3 GLY A 34 0.308 -27.094 34.414 1.00 42.13 H new ATOM 548 N ASP A 35 0.303 -23.819 33.968 1.00 61.14 N ATOM 549 CA ASP A 35 0.153 -22.525 34.659 1.00 2.42 C ATOM 550 C ASP A 35 -0.703 -21.532 33.857 1.00 50.42 C ATOM 551 O ASP A 35 -0.886 -21.675 32.647 1.00 53.05 O ATOM 552 CB ASP A 35 1.524 -21.897 34.944 1.00 42.13 C ATOM 553 CG ASP A 35 2.288 -22.635 36.025 1.00 72.55 C ATOM 554 OD1 ASP A 35 2.000 -22.417 37.225 1.00 13.01 O ATOM 555 OD2 ASP A 35 3.181 -23.426 35.688 1.00 14.25 O ATOM 0 H ASP A 35 0.662 -23.746 33.016 1.00 61.14 H new ATOM 0 HA ASP A 35 -0.359 -22.733 35.599 1.00 2.42 H new ATOM 0 HB2 ASP A 35 2.114 -21.890 34.028 1.00 42.13 H new ATOM 0 HB3 ASP A 35 1.389 -20.858 35.244 1.00 42.13 H new ATOM 560 N ILE A 36 -1.212 -20.513 34.549 1.00 60.11 N ATOM 561 CA ILE A 36 -2.039 -19.474 33.925 1.00 22.13 C ATOM 562 C ILE A 36 -1.175 -18.384 33.264 1.00 64.23 C ATOM 563 O ILE A 36 -0.066 -18.091 33.714 1.00 10.44 O ATOM 564 CB ILE A 36 -2.985 -18.818 34.972 1.00 71.34 C ATOM 565 CG1 ILE A 36 -3.887 -19.878 35.626 1.00 34.22 C ATOM 566 CG2 ILE A 36 -3.835 -17.716 34.337 1.00 73.31 C ATOM 567 CD1 ILE A 36 -4.808 -20.585 34.652 1.00 72.03 C ATOM 0 H ILE A 36 -1.066 -20.382 35.550 1.00 60.11 H new ATOM 0 HA ILE A 36 -2.635 -19.960 33.153 1.00 22.13 H new ATOM 0 HB ILE A 36 -2.363 -18.364 35.743 1.00 71.34 H new ATOM 0 HG12 ILE A 36 -3.260 -20.619 36.121 1.00 34.22 H new ATOM 0 HG13 ILE A 36 -4.489 -19.402 36.400 1.00 34.22 H new ATOM 0 HG21 ILE A 36 -4.485 -17.277 35.093 1.00 73.31 H new ATOM 0 HG22 ILE A 36 -3.183 -16.945 33.927 1.00 73.31 H new ATOM 0 HG23 ILE A 36 -4.443 -18.140 33.538 1.00 73.31 H new ATOM 0 HD11 ILE A 36 -5.412 -21.317 35.188 1.00 72.03 H new ATOM 0 HD12 ILE A 36 -5.462 -19.855 34.174 1.00 72.03 H new ATOM 0 HD13 ILE A 36 -4.214 -21.092 33.892 1.00 72.03 H new ATOM 579 N VAL A 37 -1.692 -17.798 32.188 1.00 41.10 N ATOM 580 CA VAL A 37 -1.011 -16.711 31.475 1.00 63.00 C ATOM 581 C VAL A 37 -1.297 -15.346 32.138 1.00 55.42 C ATOM 582 O VAL A 37 -2.392 -15.117 32.654 1.00 42.15 O ATOM 583 CB VAL A 37 -1.457 -16.685 29.990 1.00 24.21 C ATOM 584 CG1 VAL A 37 -0.784 -15.554 29.223 1.00 51.11 C ATOM 585 CG2 VAL A 37 -1.173 -18.030 29.322 1.00 52.32 C ATOM 0 H VAL A 37 -2.591 -18.059 31.783 1.00 41.10 H new ATOM 0 HA VAL A 37 0.062 -16.894 31.524 1.00 63.00 H new ATOM 0 HB VAL A 37 -2.532 -16.504 29.970 1.00 24.21 H new ATOM 0 HG11 VAL A 37 -1.120 -15.567 28.186 1.00 51.11 H new ATOM 0 HG12 VAL A 37 -1.047 -14.599 29.678 1.00 51.11 H new ATOM 0 HG13 VAL A 37 0.298 -15.686 29.255 1.00 51.11 H new ATOM 0 HG21 VAL A 37 -1.492 -17.994 28.280 1.00 52.32 H new ATOM 0 HG22 VAL A 37 -0.104 -18.240 29.367 1.00 52.32 H new ATOM 0 HG23 VAL A 37 -1.720 -18.817 29.842 1.00 52.32 H new ATOM 595 N SER A 38 -0.310 -14.443 32.120 1.00 22.15 N ATOM 596 CA SER A 38 -0.431 -13.137 32.800 1.00 25.12 C ATOM 597 C SER A 38 -1.401 -12.188 32.074 1.00 44.31 C ATOM 598 O SER A 38 -1.926 -12.506 31.005 1.00 12.33 O ATOM 599 CB SER A 38 0.941 -12.453 32.902 1.00 14.13 C ATOM 600 OG SER A 38 1.307 -11.857 31.665 1.00 60.14 O ATOM 0 H SER A 38 0.581 -14.587 31.645 1.00 22.15 H new ATOM 0 HA SER A 38 -0.827 -13.341 33.795 1.00 25.12 H new ATOM 0 HB2 SER A 38 0.915 -11.692 33.682 1.00 14.13 H new ATOM 0 HB3 SER A 38 1.695 -13.184 33.194 1.00 14.13 H new ATOM 0 HG SER A 38 2.242 -11.568 31.705 1.00 60.14 H new ATOM 606 N THR A 39 -1.621 -11.011 32.665 1.00 75.43 N ATOM 607 CA THR A 39 -2.485 -9.978 32.067 1.00 72.13 C ATOM 608 C THR A 39 -1.954 -9.505 30.704 1.00 24.13 C ATOM 609 O THR A 39 -2.674 -9.518 29.705 1.00 34.43 O ATOM 610 CB THR A 39 -2.608 -8.743 32.992 1.00 25.12 C ATOM 611 OG1 THR A 39 -2.996 -9.150 34.314 1.00 2.43 O ATOM 612 CG2 THR A 39 -3.624 -7.739 32.449 1.00 23.14 C ATOM 0 H THR A 39 -1.213 -10.744 33.561 1.00 75.43 H new ATOM 0 HA THR A 39 -3.462 -10.442 31.933 1.00 72.13 H new ATOM 0 HB THR A 39 -1.632 -8.259 33.029 1.00 25.12 H new ATOM 0 HG1 THR A 39 -3.069 -8.361 34.891 1.00 2.43 H new ATOM 0 HG21 THR A 39 -3.686 -6.884 33.122 1.00 23.14 H new ATOM 0 HG22 THR A 39 -3.310 -7.401 31.461 1.00 23.14 H new ATOM 0 HG23 THR A 39 -4.602 -8.215 32.376 1.00 23.14 H new ATOM 620 N VAL A 40 -0.689 -9.080 30.678 1.00 63.20 N ATOM 621 CA VAL A 40 -0.057 -8.584 29.446 1.00 64.23 C ATOM 622 C VAL A 40 0.028 -9.681 28.374 1.00 23.14 C ATOM 623 O VAL A 40 -0.456 -9.506 27.252 1.00 15.35 O ATOM 624 CB VAL A 40 1.363 -8.028 29.730 1.00 4.23 C ATOM 625 CG1 VAL A 40 2.041 -7.561 28.440 1.00 25.34 C ATOM 626 CG2 VAL A 40 1.299 -6.892 30.751 1.00 61.35 C ATOM 0 H VAL A 40 -0.079 -9.068 31.495 1.00 63.20 H new ATOM 0 HA VAL A 40 -0.687 -7.778 29.070 1.00 64.23 H new ATOM 0 HB VAL A 40 1.964 -8.835 30.149 1.00 4.23 H new ATOM 0 HG11 VAL A 40 3.035 -7.176 28.670 1.00 25.34 H new ATOM 0 HG12 VAL A 40 2.127 -8.400 27.750 1.00 25.34 H new ATOM 0 HG13 VAL A 40 1.444 -6.773 27.980 1.00 25.34 H new ATOM 0 HG21 VAL A 40 2.304 -6.514 30.938 1.00 61.35 H new ATOM 0 HG22 VAL A 40 0.675 -6.087 30.361 1.00 61.35 H new ATOM 0 HG23 VAL A 40 0.872 -7.264 31.682 1.00 61.35 H new ATOM 636 N ASP A 41 0.643 -10.809 28.730 1.00 73.24 N ATOM 637 CA ASP A 41 0.736 -11.967 27.834 1.00 11.12 C ATOM 638 C ASP A 41 -0.656 -12.371 27.304 1.00 3.21 C ATOM 639 O ASP A 41 -0.831 -12.634 26.111 1.00 42.03 O ATOM 640 CB ASP A 41 1.369 -13.152 28.578 1.00 12.31 C ATOM 641 CG ASP A 41 2.780 -12.883 29.083 1.00 35.40 C ATOM 642 OD1 ASP A 41 3.061 -11.753 29.536 1.00 0.44 O ATOM 643 OD2 ASP A 41 3.602 -13.819 29.077 1.00 53.14 O ATOM 0 H ASP A 41 1.087 -10.948 29.638 1.00 73.24 H new ATOM 0 HA ASP A 41 1.361 -11.691 26.985 1.00 11.12 H new ATOM 0 HB2 ASP A 41 0.735 -13.417 29.424 1.00 12.31 H new ATOM 0 HB3 ASP A 41 1.390 -14.016 27.913 1.00 12.31 H new ATOM 648 N GLY A 42 -1.642 -12.405 28.204 1.00 61.10 N ATOM 649 CA GLY A 42 -3.011 -12.748 27.828 1.00 74.22 C ATOM 650 C GLY A 42 -3.630 -11.763 26.839 1.00 13.13 C ATOM 651 O GLY A 42 -4.174 -12.168 25.812 1.00 50.03 O ATOM 0 H GLY A 42 -1.516 -12.199 29.195 1.00 61.10 H new ATOM 0 HA2 GLY A 42 -3.021 -13.746 27.390 1.00 74.22 H new ATOM 0 HA3 GLY A 42 -3.628 -12.787 28.726 1.00 74.22 H new ATOM 655 N ALA A 43 -3.540 -10.467 27.146 1.00 20.54 N ATOM 656 CA ALA A 43 -4.060 -9.418 26.259 1.00 72.25 C ATOM 657 C ALA A 43 -3.417 -9.501 24.866 1.00 32.21 C ATOM 658 O ALA A 43 -4.075 -9.274 23.844 1.00 51.33 O ATOM 659 CB ALA A 43 -3.823 -8.043 26.873 1.00 42.54 C ATOM 0 H ALA A 43 -3.112 -10.116 28.003 1.00 20.54 H new ATOM 0 HA ALA A 43 -5.133 -9.573 26.143 1.00 72.25 H new ATOM 0 HB1 ALA A 43 -4.213 -7.274 26.206 1.00 42.54 H new ATOM 0 HB2 ALA A 43 -4.332 -7.981 27.835 1.00 42.54 H new ATOM 0 HB3 ALA A 43 -2.754 -7.889 27.018 1.00 42.54 H new ATOM 665 N PHE A 44 -2.127 -9.829 24.842 1.00 42.33 N ATOM 666 CA PHE A 44 -1.398 -10.053 23.592 1.00 13.24 C ATOM 667 C PHE A 44 -2.035 -11.204 22.794 1.00 21.44 C ATOM 668 O PHE A 44 -2.303 -11.076 21.598 1.00 73.21 O ATOM 669 CB PHE A 44 0.076 -10.366 23.904 1.00 22.50 C ATOM 670 CG PHE A 44 0.959 -10.473 22.686 1.00 15.34 C ATOM 671 CD1 PHE A 44 1.120 -11.685 22.027 1.00 73.23 C ATOM 672 CD2 PHE A 44 1.635 -9.359 22.203 1.00 11.41 C ATOM 673 CE1 PHE A 44 1.933 -11.782 20.917 1.00 41.15 C ATOM 674 CE2 PHE A 44 2.448 -9.454 21.091 1.00 61.24 C ATOM 675 CZ PHE A 44 2.597 -10.667 20.449 1.00 45.05 C ATOM 0 H PHE A 44 -1.559 -9.947 25.681 1.00 42.33 H new ATOM 0 HA PHE A 44 -1.450 -9.150 22.984 1.00 13.24 H new ATOM 0 HB2 PHE A 44 0.470 -9.587 24.557 1.00 22.50 H new ATOM 0 HB3 PHE A 44 0.127 -11.303 24.459 1.00 22.50 H new ATOM 0 HD1 PHE A 44 0.603 -12.562 22.388 1.00 73.23 H new ATOM 0 HD2 PHE A 44 1.523 -8.408 22.703 1.00 11.41 H new ATOM 0 HE1 PHE A 44 2.050 -12.731 20.414 1.00 41.15 H new ATOM 0 HE2 PHE A 44 2.967 -8.581 20.724 1.00 61.24 H new ATOM 0 HZ PHE A 44 3.234 -10.743 19.580 1.00 45.05 H new ATOM 685 N LEU A 45 -2.282 -12.323 23.476 1.00 24.43 N ATOM 686 CA LEU A 45 -2.937 -13.488 22.866 1.00 33.05 C ATOM 687 C LEU A 45 -4.338 -13.142 22.333 1.00 2.04 C ATOM 688 O LEU A 45 -4.748 -13.635 21.281 1.00 15.40 O ATOM 689 CB LEU A 45 -3.027 -14.633 23.884 1.00 23.35 C ATOM 690 CG LEU A 45 -1.677 -15.213 24.336 1.00 22.33 C ATOM 691 CD1 LEU A 45 -1.873 -16.220 25.464 1.00 22.24 C ATOM 692 CD2 LEU A 45 -0.950 -15.860 23.158 1.00 31.23 C ATOM 0 H LEU A 45 -2.038 -12.450 24.458 1.00 24.43 H new ATOM 0 HA LEU A 45 -2.330 -13.803 22.017 1.00 33.05 H new ATOM 0 HB2 LEU A 45 -3.563 -14.275 24.763 1.00 23.35 H new ATOM 0 HB3 LEU A 45 -3.623 -15.436 23.452 1.00 23.35 H new ATOM 0 HG LEU A 45 -1.062 -14.395 24.712 1.00 22.33 H new ATOM 0 HD11 LEU A 45 -0.905 -16.618 25.769 1.00 22.24 H new ATOM 0 HD12 LEU A 45 -2.346 -15.727 26.313 1.00 22.24 H new ATOM 0 HD13 LEU A 45 -2.508 -17.035 25.118 1.00 22.24 H new ATOM 0 HD21 LEU A 45 0.004 -16.265 23.497 1.00 31.23 H new ATOM 0 HD22 LEU A 45 -1.562 -16.665 22.751 1.00 31.23 H new ATOM 0 HD23 LEU A 45 -0.772 -15.112 22.385 1.00 31.23 H new ATOM 704 N VAL A 46 -5.066 -12.293 23.063 1.00 10.33 N ATOM 705 CA VAL A 46 -6.382 -11.816 22.613 1.00 52.22 C ATOM 706 C VAL A 46 -6.280 -11.141 21.236 1.00 51.32 C ATOM 707 O VAL A 46 -7.066 -11.426 20.331 1.00 23.53 O ATOM 708 CB VAL A 46 -7.004 -10.816 23.627 1.00 63.23 C ATOM 709 CG1 VAL A 46 -8.352 -10.293 23.129 1.00 73.11 C ATOM 710 CG2 VAL A 46 -7.156 -11.462 25.002 1.00 74.50 C ATOM 0 H VAL A 46 -4.770 -11.921 23.966 1.00 10.33 H new ATOM 0 HA VAL A 46 -7.029 -12.690 22.541 1.00 52.22 H new ATOM 0 HB VAL A 46 -6.325 -9.968 23.718 1.00 63.23 H new ATOM 0 HG11 VAL A 46 -8.764 -9.596 23.859 1.00 73.11 H new ATOM 0 HG12 VAL A 46 -8.214 -9.782 22.176 1.00 73.11 H new ATOM 0 HG13 VAL A 46 -9.040 -11.128 22.997 1.00 73.11 H new ATOM 0 HG21 VAL A 46 -7.593 -10.743 25.695 1.00 74.50 H new ATOM 0 HG22 VAL A 46 -7.806 -12.333 24.925 1.00 74.50 H new ATOM 0 HG23 VAL A 46 -6.177 -11.771 25.369 1.00 74.50 H new ATOM 720 N GLU A 47 -5.300 -10.250 21.083 1.00 63.43 N ATOM 721 CA GLU A 47 -5.050 -9.580 19.801 1.00 4.14 C ATOM 722 C GLU A 47 -4.621 -10.579 18.719 1.00 71.01 C ATOM 723 O GLU A 47 -5.157 -10.572 17.608 1.00 42.21 O ATOM 724 CB GLU A 47 -3.978 -8.492 19.961 1.00 72.23 C ATOM 725 CG GLU A 47 -4.460 -7.253 20.706 1.00 72.31 C ATOM 726 CD GLU A 47 -5.570 -6.526 19.964 1.00 64.31 C ATOM 727 OE1 GLU A 47 -5.284 -5.922 18.908 1.00 71.32 O ATOM 728 OE2 GLU A 47 -6.732 -6.572 20.423 1.00 2.43 O ATOM 0 H GLU A 47 -4.664 -9.973 21.831 1.00 63.43 H new ATOM 0 HA GLU A 47 -5.985 -9.117 19.486 1.00 4.14 H new ATOM 0 HB2 GLU A 47 -3.124 -8.913 20.491 1.00 72.23 H new ATOM 0 HB3 GLU A 47 -3.625 -8.195 18.973 1.00 72.23 H new ATOM 0 HG2 GLU A 47 -4.816 -7.543 21.695 1.00 72.31 H new ATOM 0 HG3 GLU A 47 -3.621 -6.573 20.856 1.00 72.31 H new ATOM 735 N ALA A 48 -3.653 -11.438 19.050 1.00 24.23 N ATOM 736 CA ALA A 48 -3.181 -12.473 18.121 1.00 22.21 C ATOM 737 C ALA A 48 -4.352 -13.311 17.595 1.00 50.34 C ATOM 738 O ALA A 48 -4.419 -13.646 16.409 1.00 11.51 O ATOM 739 CB ALA A 48 -2.152 -13.370 18.803 1.00 52.31 C ATOM 0 H ALA A 48 -3.180 -11.439 19.954 1.00 24.23 H new ATOM 0 HA ALA A 48 -2.708 -11.978 17.273 1.00 22.21 H new ATOM 0 HB1 ALA A 48 -1.812 -14.132 18.102 1.00 52.31 H new ATOM 0 HB2 ALA A 48 -1.302 -12.769 19.126 1.00 52.31 H new ATOM 0 HB3 ALA A 48 -2.606 -13.851 19.669 1.00 52.31 H new ATOM 745 N LEU A 49 -5.281 -13.632 18.492 1.00 0.51 N ATOM 746 CA LEU A 49 -6.500 -14.344 18.123 1.00 33.21 C ATOM 747 C LEU A 49 -7.368 -13.486 17.184 1.00 23.42 C ATOM 748 O LEU A 49 -7.671 -13.899 16.060 1.00 4.22 O ATOM 749 CB LEU A 49 -7.294 -14.726 19.385 1.00 12.23 C ATOM 750 CG LEU A 49 -8.585 -15.531 19.143 1.00 54.22 C ATOM 751 CD1 LEU A 49 -8.284 -16.856 18.446 1.00 45.52 C ATOM 752 CD2 LEU A 49 -9.322 -15.769 20.459 1.00 51.43 C ATOM 0 H LEU A 49 -5.211 -13.408 19.485 1.00 0.51 H new ATOM 0 HA LEU A 49 -6.221 -15.255 17.594 1.00 33.21 H new ATOM 0 HB2 LEU A 49 -6.643 -15.306 20.040 1.00 12.23 H new ATOM 0 HB3 LEU A 49 -7.552 -13.812 19.920 1.00 12.23 H new ATOM 0 HG LEU A 49 -9.230 -14.946 18.487 1.00 54.22 H new ATOM 0 HD11 LEU A 49 -9.213 -17.403 18.288 1.00 45.52 H new ATOM 0 HD12 LEU A 49 -7.809 -16.662 17.484 1.00 45.52 H new ATOM 0 HD13 LEU A 49 -7.614 -17.450 19.068 1.00 45.52 H new ATOM 0 HD21 LEU A 49 -10.231 -16.339 20.269 1.00 51.43 H new ATOM 0 HD22 LEU A 49 -8.680 -16.327 21.140 1.00 51.43 H new ATOM 0 HD23 LEU A 49 -9.582 -14.811 20.909 1.00 51.43 H new ATOM 764 N LYS A 50 -7.725 -12.276 17.636 1.00 74.23 N ATOM 765 CA LYS A 50 -8.628 -11.380 16.888 1.00 54.32 C ATOM 766 C LYS A 50 -8.122 -11.040 15.475 1.00 35.35 C ATOM 767 O LYS A 50 -8.910 -10.648 14.613 1.00 22.31 O ATOM 768 CB LYS A 50 -8.884 -10.085 17.676 1.00 20.12 C ATOM 769 CG LYS A 50 -9.713 -10.297 18.938 1.00 62.52 C ATOM 770 CD LYS A 50 -10.107 -8.977 19.597 1.00 50.51 C ATOM 771 CE LYS A 50 -11.012 -9.202 20.804 1.00 64.43 C ATOM 772 NZ LYS A 50 -11.465 -7.924 21.413 1.00 11.35 N ATOM 0 H LYS A 50 -7.401 -11.890 18.523 1.00 74.23 H new ATOM 0 HA LYS A 50 -9.561 -11.930 16.766 1.00 54.32 H new ATOM 0 HB2 LYS A 50 -7.927 -9.640 17.949 1.00 20.12 H new ATOM 0 HB3 LYS A 50 -9.395 -9.371 17.030 1.00 20.12 H new ATOM 0 HG2 LYS A 50 -10.613 -10.860 18.690 1.00 62.52 H new ATOM 0 HG3 LYS A 50 -9.145 -10.900 19.647 1.00 62.52 H new ATOM 0 HD2 LYS A 50 -9.209 -8.443 19.909 1.00 50.51 H new ATOM 0 HD3 LYS A 50 -10.618 -8.345 18.871 1.00 50.51 H new ATOM 0 HE2 LYS A 50 -11.881 -9.786 20.500 1.00 64.43 H new ATOM 0 HE3 LYS A 50 -10.479 -9.789 21.551 1.00 64.43 H new ATOM 0 HZ1 LYS A 50 -12.077 -8.126 22.229 1.00 11.35 H new ATOM 0 HZ2 LYS A 50 -10.638 -7.377 21.727 1.00 11.35 H new ATOM 0 HZ3 LYS A 50 -11.997 -7.373 20.709 1.00 11.35 H new ATOM 786 N ARG A 51 -6.817 -11.187 15.233 1.00 73.14 N ATOM 787 CA ARG A 51 -6.257 -10.978 13.886 1.00 31.23 C ATOM 788 C ARG A 51 -6.907 -11.923 12.854 1.00 12.12 C ATOM 789 O ARG A 51 -6.813 -11.702 11.644 1.00 24.41 O ATOM 790 CB ARG A 51 -4.733 -11.186 13.888 1.00 41.33 C ATOM 791 CG ARG A 51 -3.949 -10.227 14.790 1.00 44.44 C ATOM 792 CD ARG A 51 -4.057 -8.766 14.348 1.00 63.13 C ATOM 793 NE ARG A 51 -5.387 -8.201 14.587 1.00 54.22 N ATOM 794 CZ ARG A 51 -5.693 -7.439 15.603 1.00 52.23 C ATOM 795 NH1 ARG A 51 -4.792 -7.099 16.468 1.00 31.24 N ATOM 796 NH2 ARG A 51 -6.903 -7.008 15.739 1.00 72.00 N ATOM 0 H ARG A 51 -6.130 -11.447 15.941 1.00 73.14 H new ATOM 0 HA ARG A 51 -6.476 -9.949 13.601 1.00 31.23 H new ATOM 0 HB2 ARG A 51 -4.522 -12.209 14.200 1.00 41.33 H new ATOM 0 HB3 ARG A 51 -4.366 -11.082 12.867 1.00 41.33 H new ATOM 0 HG2 ARG A 51 -4.314 -10.319 15.813 1.00 44.44 H new ATOM 0 HG3 ARG A 51 -2.900 -10.521 14.798 1.00 44.44 H new ATOM 0 HD2 ARG A 51 -3.314 -8.173 14.881 1.00 63.13 H new ATOM 0 HD3 ARG A 51 -3.821 -8.693 13.286 1.00 63.13 H new ATOM 0 HE ARG A 51 -6.124 -8.417 13.915 1.00 54.22 H new ATOM 0 HH11 ARG A 51 -3.832 -7.426 16.360 1.00 31.24 H new ATOM 0 HH12 ARG A 51 -5.042 -6.504 17.258 1.00 31.24 H new ATOM 0 HH21 ARG A 51 -7.615 -7.263 15.055 1.00 72.00 H new ATOM 0 HH22 ARG A 51 -7.146 -6.413 16.531 1.00 72.00 H new ATOM 810 N HIS A 52 -7.564 -12.974 13.345 1.00 3.45 N ATOM 811 CA HIS A 52 -8.224 -13.967 12.487 1.00 72.54 C ATOM 812 C HIS A 52 -9.730 -13.671 12.343 1.00 20.23 C ATOM 813 O HIS A 52 -10.384 -13.270 13.305 1.00 30.22 O ATOM 814 CB HIS A 52 -8.024 -15.369 13.076 1.00 20.51 C ATOM 815 CG HIS A 52 -6.583 -15.740 13.251 1.00 72.43 C ATOM 816 ND1 HIS A 52 -5.845 -15.391 14.364 1.00 14.14 N ATOM 817 CD2 HIS A 52 -5.740 -16.432 12.450 1.00 1.23 C ATOM 818 CE1 HIS A 52 -4.617 -15.851 14.236 1.00 73.13 C ATOM 819 NE2 HIS A 52 -4.525 -16.486 13.087 1.00 32.42 N ATOM 0 H HIS A 52 -7.655 -13.163 14.343 1.00 3.45 H new ATOM 0 HA HIS A 52 -7.774 -13.915 11.496 1.00 72.54 H new ATOM 0 HB2 HIS A 52 -8.526 -15.424 14.042 1.00 20.51 H new ATOM 0 HB3 HIS A 52 -8.504 -16.100 12.425 1.00 20.51 H new ATOM 0 HD1 HIS A 52 -6.196 -14.860 15.161 1.00 14.14 H new ATOM 0 HD2 HIS A 52 -5.979 -16.862 11.488 1.00 1.23 H new ATOM 0 HE1 HIS A 52 -3.820 -15.728 14.954 1.00 73.13 H new ATOM 828 N PRO A 53 -10.306 -13.887 11.141 1.00 23.33 N ATOM 829 CA PRO A 53 -11.736 -13.608 10.881 1.00 22.04 C ATOM 830 C PRO A 53 -12.689 -14.476 11.726 1.00 30.43 C ATOM 831 O PRO A 53 -13.759 -14.024 12.135 1.00 70.40 O ATOM 832 CB PRO A 53 -11.897 -13.925 9.383 1.00 74.14 C ATOM 833 CG PRO A 53 -10.763 -14.842 9.060 1.00 43.31 C ATOM 834 CD PRO A 53 -9.621 -14.410 9.941 1.00 31.14 C ATOM 0 HA PRO A 53 -11.996 -12.584 11.147 1.00 22.04 H new ATOM 0 HB2 PRO A 53 -12.858 -14.398 9.180 1.00 74.14 H new ATOM 0 HB3 PRO A 53 -11.855 -13.018 8.780 1.00 74.14 H new ATOM 0 HG2 PRO A 53 -11.033 -15.880 9.252 1.00 43.31 H new ATOM 0 HG3 PRO A 53 -10.492 -14.772 8.007 1.00 43.31 H new ATOM 0 HD2 PRO A 53 -8.961 -15.243 10.184 1.00 31.14 H new ATOM 0 HD3 PRO A 53 -9.008 -13.647 9.462 1.00 31.14 H new ATOM 842 N ASP A 54 -12.292 -15.723 11.983 1.00 54.31 N ATOM 843 CA ASP A 54 -13.117 -16.660 12.757 1.00 71.14 C ATOM 844 C ASP A 54 -12.870 -16.542 14.274 1.00 60.44 C ATOM 845 O ASP A 54 -13.444 -17.292 15.065 1.00 22.14 O ATOM 846 CB ASP A 54 -12.836 -18.090 12.292 1.00 14.41 C ATOM 847 CG ASP A 54 -13.084 -18.259 10.805 1.00 32.30 C ATOM 848 OD1 ASP A 54 -14.251 -18.470 10.410 1.00 1.55 O ATOM 849 OD2 ASP A 54 -12.115 -18.171 10.021 1.00 12.21 O ATOM 0 H ASP A 54 -11.403 -16.111 11.667 1.00 54.31 H new ATOM 0 HA ASP A 54 -14.162 -16.406 12.580 1.00 71.14 H new ATOM 0 HB2 ASP A 54 -11.802 -18.349 12.520 1.00 14.41 H new ATOM 0 HB3 ASP A 54 -13.468 -18.783 12.847 1.00 14.41 H new ATOM 854 N ALA A 55 -12.031 -15.588 14.676 1.00 24.34 N ATOM 855 CA ALA A 55 -11.675 -15.417 16.089 1.00 42.32 C ATOM 856 C ALA A 55 -12.902 -15.137 16.963 1.00 72.13 C ATOM 857 O ALA A 55 -13.107 -15.791 17.986 1.00 44.42 O ATOM 858 CB ALA A 55 -10.661 -14.296 16.243 1.00 14.44 C ATOM 0 H ALA A 55 -11.584 -14.921 14.046 1.00 24.34 H new ATOM 0 HA ALA A 55 -11.236 -16.355 16.429 1.00 42.32 H new ATOM 0 HB1 ALA A 55 -10.405 -14.179 17.296 1.00 14.44 H new ATOM 0 HB2 ALA A 55 -9.762 -14.538 15.676 1.00 14.44 H new ATOM 0 HB3 ALA A 55 -11.087 -13.366 15.868 1.00 14.44 H new ATOM 864 N THR A 56 -13.717 -14.163 16.548 1.00 45.43 N ATOM 865 CA THR A 56 -14.936 -13.786 17.289 1.00 21.12 C ATOM 866 C THR A 56 -15.773 -15.012 17.700 1.00 62.12 C ATOM 867 O THR A 56 -16.387 -15.028 18.769 1.00 22.33 O ATOM 868 CB THR A 56 -15.828 -12.820 16.469 1.00 34.40 C ATOM 869 OG1 THR A 56 -17.037 -12.529 17.188 1.00 31.14 O ATOM 870 CG2 THR A 56 -16.173 -13.409 15.102 1.00 13.30 C ATOM 0 H THR A 56 -13.559 -13.617 15.701 1.00 45.43 H new ATOM 0 HA THR A 56 -14.590 -13.281 18.191 1.00 21.12 H new ATOM 0 HB THR A 56 -15.266 -11.899 16.315 1.00 34.40 H new ATOM 0 HG1 THR A 56 -17.592 -11.917 16.661 1.00 31.14 H new ATOM 0 HG21 THR A 56 -16.800 -12.707 14.551 1.00 13.30 H new ATOM 0 HG22 THR A 56 -15.256 -13.592 14.543 1.00 13.30 H new ATOM 0 HG23 THR A 56 -16.710 -14.348 15.235 1.00 13.30 H new ATOM 878 N SER A 57 -15.764 -16.046 16.856 1.00 24.14 N ATOM 879 CA SER A 57 -16.492 -17.295 17.136 1.00 61.20 C ATOM 880 C SER A 57 -15.987 -17.962 18.425 1.00 33.34 C ATOM 881 O SER A 57 -16.773 -18.373 19.282 1.00 53.12 O ATOM 882 CB SER A 57 -16.337 -18.273 15.961 1.00 30.25 C ATOM 883 OG SER A 57 -17.023 -19.491 16.203 1.00 72.05 O ATOM 0 H SER A 57 -15.260 -16.047 15.969 1.00 24.14 H new ATOM 0 HA SER A 57 -17.544 -17.042 17.268 1.00 61.20 H new ATOM 0 HB2 SER A 57 -16.721 -17.813 15.051 1.00 30.25 H new ATOM 0 HB3 SER A 57 -15.279 -18.477 15.793 1.00 30.25 H new ATOM 0 HG SER A 57 -16.906 -20.090 15.436 1.00 72.05 H new ATOM 889 N LYS A 58 -14.665 -18.054 18.563 1.00 11.43 N ATOM 890 CA LYS A 58 -14.049 -18.680 19.741 1.00 2.43 C ATOM 891 C LYS A 58 -13.771 -17.655 20.853 1.00 44.33 C ATOM 892 O LYS A 58 -13.116 -17.965 21.848 1.00 65.23 O ATOM 893 CB LYS A 58 -12.762 -19.413 19.334 1.00 12.01 C ATOM 894 CG LYS A 58 -13.012 -20.584 18.385 1.00 24.42 C ATOM 895 CD LYS A 58 -13.946 -21.620 19.010 1.00 54.54 C ATOM 896 CE LYS A 58 -14.317 -22.726 18.030 1.00 5.32 C ATOM 897 NZ LYS A 58 -13.129 -23.480 17.554 1.00 42.10 N ATOM 0 H LYS A 58 -13.997 -17.704 17.876 1.00 11.43 H new ATOM 0 HA LYS A 58 -14.755 -19.405 20.146 1.00 2.43 H new ATOM 0 HB2 LYS A 58 -12.084 -18.705 18.857 1.00 12.01 H new ATOM 0 HB3 LYS A 58 -12.261 -19.780 20.230 1.00 12.01 H new ATOM 0 HG2 LYS A 58 -13.446 -20.215 17.456 1.00 24.42 H new ATOM 0 HG3 LYS A 58 -12.063 -21.055 18.129 1.00 24.42 H new ATOM 0 HD2 LYS A 58 -13.466 -22.058 19.885 1.00 54.54 H new ATOM 0 HD3 LYS A 58 -14.853 -21.126 19.358 1.00 54.54 H new ATOM 0 HE2 LYS A 58 -15.013 -23.414 18.509 1.00 5.32 H new ATOM 0 HE3 LYS A 58 -14.835 -22.292 17.175 1.00 5.32 H new ATOM 0 HZ1 LYS A 58 -13.440 -24.303 16.999 1.00 42.10 H new ATOM 0 HZ2 LYS A 58 -12.542 -22.862 16.958 1.00 42.10 H new ATOM 0 HZ3 LYS A 58 -12.573 -23.803 18.371 1.00 42.10 H new ATOM 911 N ILE A 59 -14.267 -16.432 20.674 1.00 31.05 N ATOM 912 CA ILE A 59 -14.239 -15.420 21.735 1.00 32.23 C ATOM 913 C ILE A 59 -15.579 -15.395 22.486 1.00 3.34 C ATOM 914 O ILE A 59 -15.621 -15.552 23.711 1.00 35.20 O ATOM 915 CB ILE A 59 -13.933 -14.007 21.174 1.00 55.53 C ATOM 916 CG1 ILE A 59 -12.550 -13.992 20.504 1.00 14.12 C ATOM 917 CG2 ILE A 59 -14.004 -12.957 22.283 1.00 21.13 C ATOM 918 CD1 ILE A 59 -12.193 -12.676 19.848 1.00 75.22 C ATOM 0 H ILE A 59 -14.694 -16.115 19.804 1.00 31.05 H new ATOM 0 HA ILE A 59 -13.439 -15.694 22.423 1.00 32.23 H new ATOM 0 HB ILE A 59 -14.687 -13.761 20.426 1.00 55.53 H new ATOM 0 HG12 ILE A 59 -11.794 -14.229 21.252 1.00 14.12 H new ATOM 0 HG13 ILE A 59 -12.514 -14.781 19.753 1.00 14.12 H new ATOM 0 HG21 ILE A 59 -13.786 -11.973 21.867 1.00 21.13 H new ATOM 0 HG22 ILE A 59 -15.004 -12.954 22.718 1.00 21.13 H new ATOM 0 HG23 ILE A 59 -13.273 -13.194 23.056 1.00 21.13 H new ATOM 0 HD11 ILE A 59 -11.202 -12.750 19.399 1.00 75.22 H new ATOM 0 HD12 ILE A 59 -12.925 -12.445 19.075 1.00 75.22 H new ATOM 0 HD13 ILE A 59 -12.194 -11.884 20.597 1.00 75.22 H new ATOM 930 N GLY A 60 -16.666 -15.202 21.738 1.00 33.52 N ATOM 931 CA GLY A 60 -18.005 -15.223 22.318 1.00 61.50 C ATOM 932 C GLY A 60 -18.283 -14.059 23.272 1.00 35.11 C ATOM 933 O GLY A 60 -18.084 -12.894 22.911 1.00 50.55 O ATOM 0 H GLY A 60 -16.644 -15.030 20.733 1.00 33.52 H new ATOM 0 HA2 GLY A 60 -18.740 -15.204 21.513 1.00 61.50 H new ATOM 0 HA3 GLY A 60 -18.144 -16.162 22.855 1.00 61.50 H new ATOM 937 N PRO A 61 -18.750 -14.346 24.508 1.00 31.33 N ATOM 938 CA PRO A 61 -19.119 -13.306 25.492 1.00 4.13 C ATOM 939 C PRO A 61 -17.910 -12.558 26.084 1.00 34.54 C ATOM 940 O PRO A 61 -18.050 -11.439 26.585 1.00 74.22 O ATOM 941 CB PRO A 61 -19.840 -14.109 26.584 1.00 25.25 C ATOM 942 CG PRO A 61 -19.217 -15.460 26.512 1.00 73.42 C ATOM 943 CD PRO A 61 -18.960 -15.707 25.047 1.00 50.41 C ATOM 0 HA PRO A 61 -19.719 -12.519 25.035 1.00 4.13 H new ATOM 0 HB2 PRO A 61 -19.702 -13.658 27.567 1.00 25.25 H new ATOM 0 HB3 PRO A 61 -20.914 -14.155 26.402 1.00 25.25 H new ATOM 0 HG2 PRO A 61 -18.290 -15.496 27.085 1.00 73.42 H new ATOM 0 HG3 PRO A 61 -19.878 -16.220 26.928 1.00 73.42 H new ATOM 0 HD2 PRO A 61 -18.087 -16.341 24.892 1.00 50.41 H new ATOM 0 HD3 PRO A 61 -19.804 -16.204 24.568 1.00 50.41 H new ATOM 951 N GLY A 62 -16.730 -13.174 26.038 1.00 73.10 N ATOM 952 CA GLY A 62 -15.532 -12.528 26.565 1.00 10.30 C ATOM 953 C GLY A 62 -14.421 -13.506 26.938 1.00 24.23 C ATOM 954 O GLY A 62 -14.598 -14.725 26.868 1.00 14.23 O ATOM 0 H GLY A 62 -16.579 -14.104 25.648 1.00 73.10 H new ATOM 0 HA2 GLY A 62 -15.152 -11.826 25.823 1.00 10.30 H new ATOM 0 HA3 GLY A 62 -15.802 -11.945 27.446 1.00 10.30 H new ATOM 958 N VAL A 63 -13.268 -12.969 27.334 1.00 10.24 N ATOM 959 CA VAL A 63 -12.106 -13.787 27.696 1.00 52.22 C ATOM 960 C VAL A 63 -12.004 -13.993 29.217 1.00 4.10 C ATOM 961 O VAL A 63 -11.776 -13.044 29.973 1.00 24.20 O ATOM 962 CB VAL A 63 -10.791 -13.145 27.181 1.00 13.23 C ATOM 963 CG1 VAL A 63 -9.580 -13.984 27.589 1.00 45.02 C ATOM 964 CG2 VAL A 63 -10.837 -12.959 25.662 1.00 11.45 C ATOM 0 H VAL A 63 -13.111 -11.964 27.413 1.00 10.24 H new ATOM 0 HA VAL A 63 -12.247 -14.758 27.221 1.00 52.22 H new ATOM 0 HB VAL A 63 -10.691 -12.162 27.641 1.00 13.23 H new ATOM 0 HG11 VAL A 63 -8.670 -13.514 27.217 1.00 45.02 H new ATOM 0 HG12 VAL A 63 -9.535 -14.053 28.676 1.00 45.02 H new ATOM 0 HG13 VAL A 63 -9.671 -14.984 27.166 1.00 45.02 H new ATOM 0 HG21 VAL A 63 -9.905 -12.507 25.322 1.00 11.45 H new ATOM 0 HG22 VAL A 63 -10.967 -13.928 25.181 1.00 11.45 H new ATOM 0 HG23 VAL A 63 -11.672 -12.309 25.400 1.00 11.45 H new ATOM 974 N ARG A 64 -12.166 -15.242 29.660 1.00 43.15 N ATOM 975 CA ARG A 64 -12.024 -15.577 31.079 1.00 74.31 C ATOM 976 C ARG A 64 -10.535 -15.590 31.463 1.00 2.12 C ATOM 977 O ARG A 64 -10.115 -14.874 32.374 1.00 3.25 O ATOM 978 CB ARG A 64 -12.696 -16.933 31.373 1.00 55.55 C ATOM 979 CG ARG A 64 -13.033 -17.169 32.852 1.00 74.54 C ATOM 980 CD ARG A 64 -11.820 -17.590 33.676 1.00 2.02 C ATOM 981 NE ARG A 64 -12.130 -17.705 35.101 1.00 31.15 N ATOM 982 CZ ARG A 64 -12.268 -18.834 35.740 1.00 5.45 C ATOM 983 NH1 ARG A 64 -12.190 -19.965 35.116 1.00 4.42 N ATOM 984 NH2 ARG A 64 -12.496 -18.827 37.011 1.00 31.22 N ATOM 0 H ARG A 64 -12.394 -16.035 29.060 1.00 43.15 H new ATOM 0 HA ARG A 64 -12.523 -14.821 31.685 1.00 74.31 H new ATOM 0 HB2 ARG A 64 -13.613 -17.004 30.789 1.00 55.55 H new ATOM 0 HB3 ARG A 64 -12.038 -17.732 31.031 1.00 55.55 H new ATOM 0 HG2 ARG A 64 -13.454 -16.256 33.274 1.00 74.54 H new ATOM 0 HG3 ARG A 64 -13.802 -17.938 32.926 1.00 74.54 H new ATOM 0 HD2 ARG A 64 -11.448 -18.547 33.309 1.00 2.02 H new ATOM 0 HD3 ARG A 64 -11.020 -16.863 33.538 1.00 2.02 H new ATOM 0 HE ARG A 64 -12.246 -16.842 35.632 1.00 31.15 H new ATOM 0 HH11 ARG A 64 -12.018 -19.982 34.111 1.00 4.42 H new ATOM 0 HH12 ARG A 64 -12.300 -20.839 35.629 1.00 4.42 H new ATOM 0 HH21 ARG A 64 -12.568 -17.941 37.511 1.00 31.22 H new ATOM 0 HH22 ARG A 64 -12.605 -19.707 37.515 1.00 31.22 H new ATOM 998 N ASN A 65 -9.744 -16.397 30.751 1.00 30.51 N ATOM 999 CA ASN A 65 -8.284 -16.415 30.927 1.00 70.13 C ATOM 1000 C ASN A 65 -7.596 -17.254 29.836 1.00 72.23 C ATOM 1001 O ASN A 65 -8.251 -17.856 28.984 1.00 32.52 O ATOM 1002 CB ASN A 65 -7.903 -16.958 32.319 1.00 22.32 C ATOM 1003 CG ASN A 65 -8.166 -18.449 32.474 1.00 72.42 C ATOM 1004 OD1 ASN A 65 -9.259 -18.868 32.835 1.00 61.14 O ATOM 1005 ND2 ASN A 65 -7.159 -19.265 32.218 1.00 73.24 N ATOM 0 H ASN A 65 -10.088 -17.048 30.046 1.00 30.51 H new ATOM 0 HA ASN A 65 -7.937 -15.385 30.841 1.00 70.13 H new ATOM 0 HB2 ASN A 65 -6.847 -16.761 32.502 1.00 22.32 H new ATOM 0 HB3 ASN A 65 -8.465 -16.416 33.080 1.00 22.32 H new ATOM 0 HD21 ASN A 65 -7.281 -20.273 32.319 1.00 73.24 H new ATOM 0 HD22 ASN A 65 -6.260 -18.887 31.919 1.00 73.24 H new ATOM 1012 N PHE A 66 -6.267 -17.262 29.864 1.00 34.24 N ATOM 1013 CA PHE A 66 -5.465 -18.167 29.034 1.00 72.20 C ATOM 1014 C PHE A 66 -4.614 -19.075 29.930 1.00 52.22 C ATOM 1015 O PHE A 66 -4.227 -18.678 31.032 1.00 20.42 O ATOM 1016 CB PHE A 66 -4.556 -17.379 28.077 1.00 41.12 C ATOM 1017 CG PHE A 66 -5.283 -16.719 26.931 1.00 21.24 C ATOM 1018 CD1 PHE A 66 -5.856 -15.464 27.080 1.00 44.10 C ATOM 1019 CD2 PHE A 66 -5.383 -17.353 25.699 1.00 22.02 C ATOM 1020 CE1 PHE A 66 -6.513 -14.858 26.025 1.00 22.23 C ATOM 1021 CE2 PHE A 66 -6.040 -16.750 24.642 1.00 3.32 C ATOM 1022 CZ PHE A 66 -6.605 -15.501 24.806 1.00 23.53 C ATOM 0 H PHE A 66 -5.713 -16.646 30.459 1.00 34.24 H new ATOM 0 HA PHE A 66 -6.144 -18.776 28.437 1.00 72.20 H new ATOM 0 HB2 PHE A 66 -4.027 -16.614 28.645 1.00 41.12 H new ATOM 0 HB3 PHE A 66 -3.802 -18.054 27.673 1.00 41.12 H new ATOM 0 HD1 PHE A 66 -5.788 -14.955 28.030 1.00 44.10 H new ATOM 0 HD2 PHE A 66 -4.942 -18.330 25.565 1.00 22.02 H new ATOM 0 HE1 PHE A 66 -6.955 -13.881 26.154 1.00 22.23 H new ATOM 0 HE2 PHE A 66 -6.111 -17.255 23.690 1.00 3.32 H new ATOM 0 HZ PHE A 66 -7.118 -15.027 23.982 1.00 23.53 H new ATOM 1032 N GLU A 67 -4.333 -20.289 29.471 1.00 1.32 N ATOM 1033 CA GLU A 67 -3.533 -21.238 30.257 1.00 22.11 C ATOM 1034 C GLU A 67 -2.488 -21.955 29.391 1.00 15.43 C ATOM 1035 O GLU A 67 -2.785 -22.412 28.287 1.00 32.23 O ATOM 1036 CB GLU A 67 -4.449 -22.271 30.933 1.00 52.03 C ATOM 1037 CG GLU A 67 -3.711 -23.250 31.843 1.00 11.03 C ATOM 1038 CD GLU A 67 -4.636 -24.251 32.518 1.00 14.33 C ATOM 1039 OE1 GLU A 67 -5.348 -23.864 33.472 1.00 53.25 O ATOM 1040 OE2 GLU A 67 -4.647 -25.432 32.111 1.00 13.44 O ATOM 0 H GLU A 67 -4.642 -20.643 28.566 1.00 1.32 H new ATOM 0 HA GLU A 67 -3.002 -20.668 31.019 1.00 22.11 H new ATOM 0 HB2 GLU A 67 -5.204 -21.745 31.518 1.00 52.03 H new ATOM 0 HB3 GLU A 67 -4.977 -22.833 30.163 1.00 52.03 H new ATOM 0 HG2 GLU A 67 -2.966 -23.790 31.258 1.00 11.03 H new ATOM 0 HG3 GLU A 67 -3.172 -22.690 32.607 1.00 11.03 H new ATOM 1047 N VAL A 68 -1.264 -22.043 29.900 1.00 34.44 N ATOM 1048 CA VAL A 68 -0.200 -22.795 29.237 1.00 53.35 C ATOM 1049 C VAL A 68 -0.228 -24.260 29.692 1.00 52.45 C ATOM 1050 O VAL A 68 0.192 -24.585 30.801 1.00 50.51 O ATOM 1051 CB VAL A 68 1.194 -22.184 29.531 1.00 12.34 C ATOM 1052 CG1 VAL A 68 2.306 -23.018 28.892 1.00 32.53 C ATOM 1053 CG2 VAL A 68 1.259 -20.736 29.048 1.00 42.05 C ATOM 0 H VAL A 68 -0.981 -21.601 30.775 1.00 34.44 H new ATOM 0 HA VAL A 68 -0.375 -22.742 28.162 1.00 53.35 H new ATOM 0 HB VAL A 68 1.346 -22.194 30.610 1.00 12.34 H new ATOM 0 HG11 VAL A 68 3.273 -22.566 29.114 1.00 32.53 H new ATOM 0 HG12 VAL A 68 2.278 -24.031 29.294 1.00 32.53 H new ATOM 0 HG13 VAL A 68 2.161 -23.052 27.812 1.00 32.53 H new ATOM 0 HG21 VAL A 68 2.245 -20.325 29.263 1.00 42.05 H new ATOM 0 HG22 VAL A 68 1.078 -20.702 27.974 1.00 42.05 H new ATOM 0 HG23 VAL A 68 0.500 -20.147 29.562 1.00 42.05 H new ATOM 1063 N ARG A 69 -0.744 -25.139 28.837 1.00 2.33 N ATOM 1064 CA ARG A 69 -0.895 -26.560 29.180 1.00 31.24 C ATOM 1065 C ARG A 69 -0.167 -27.455 28.159 1.00 44.52 C ATOM 1066 O ARG A 69 0.048 -27.055 27.014 1.00 11.11 O ATOM 1067 CB ARG A 69 -2.393 -26.903 29.264 1.00 42.00 C ATOM 1068 CG ARG A 69 -2.709 -28.323 29.730 1.00 30.30 C ATOM 1069 CD ARG A 69 -4.212 -28.521 29.907 1.00 2.32 C ATOM 1070 NE ARG A 69 -4.562 -29.906 30.208 1.00 14.32 N ATOM 1071 CZ ARG A 69 -5.774 -30.314 30.468 1.00 41.13 C ATOM 1072 NH1 ARG A 69 -6.751 -29.472 30.581 1.00 75.01 N ATOM 1073 NH2 ARG A 69 -6.003 -31.570 30.650 1.00 34.12 N ATOM 0 H ARG A 69 -1.066 -24.897 27.900 1.00 2.33 H new ATOM 0 HA ARG A 69 -0.436 -26.748 30.151 1.00 31.24 H new ATOM 0 HB2 ARG A 69 -2.873 -26.199 29.944 1.00 42.00 H new ATOM 0 HB3 ARG A 69 -2.840 -26.752 28.281 1.00 42.00 H new ATOM 0 HG2 ARG A 69 -2.327 -29.041 29.004 1.00 30.30 H new ATOM 0 HG3 ARG A 69 -2.199 -28.522 30.673 1.00 30.30 H new ATOM 0 HD2 ARG A 69 -4.568 -27.877 30.711 1.00 2.32 H new ATOM 0 HD3 ARG A 69 -4.726 -28.209 28.998 1.00 2.32 H new ATOM 0 HE ARG A 69 -3.813 -30.598 30.216 1.00 14.32 H new ATOM 0 HH11 ARG A 69 -6.579 -28.473 30.466 1.00 75.01 H new ATOM 0 HH12 ARG A 69 -7.692 -29.808 30.784 1.00 75.01 H new ATOM 0 HH21 ARG A 69 -5.238 -32.242 30.591 1.00 34.12 H new ATOM 0 HH22 ARG A 69 -6.949 -31.892 30.853 1.00 34.12 H new ATOM 1087 N SER A 70 0.208 -28.663 28.587 1.00 64.34 N ATOM 1088 CA SER A 70 1.030 -29.581 27.770 1.00 32.13 C ATOM 1089 C SER A 70 0.385 -29.944 26.421 1.00 22.41 C ATOM 1090 O SER A 70 -0.831 -29.834 26.236 1.00 63.21 O ATOM 1091 CB SER A 70 1.315 -30.872 28.550 1.00 44.14 C ATOM 1092 OG SER A 70 0.114 -31.570 28.847 1.00 10.35 O ATOM 0 H SER A 70 -0.044 -29.037 29.502 1.00 64.34 H new ATOM 0 HA SER A 70 1.955 -29.047 27.554 1.00 32.13 H new ATOM 0 HB2 SER A 70 1.976 -31.513 27.967 1.00 44.14 H new ATOM 0 HB3 SER A 70 1.838 -30.632 29.476 1.00 44.14 H new ATOM 0 HG SER A 70 0.325 -32.389 29.342 1.00 10.35 H new ATOM 1162 N GLN A 76 3.913 -27.399 24.270 1.00 15.44 N ATOM 1163 CA GLN A 76 2.888 -26.730 25.079 1.00 11.33 C ATOM 1164 C GLN A 76 1.827 -26.074 24.172 1.00 24.32 C ATOM 1165 O GLN A 76 1.987 -26.025 22.952 1.00 71.15 O ATOM 1166 CB GLN A 76 3.547 -25.656 25.960 1.00 72.14 C ATOM 1167 CG GLN A 76 4.723 -26.152 26.798 1.00 3.11 C ATOM 1168 CD GLN A 76 5.589 -25.012 27.315 1.00 2.14 C ATOM 1169 OE1 GLN A 76 6.552 -24.606 26.673 1.00 33.14 O ATOM 1170 NE2 GLN A 76 5.243 -24.474 28.465 1.00 24.32 N ATOM 0 HA GLN A 76 2.399 -27.473 25.709 1.00 11.33 H new ATOM 0 HB2 GLN A 76 3.891 -24.842 25.321 1.00 72.14 H new ATOM 0 HB3 GLN A 76 2.793 -25.240 26.628 1.00 72.14 H new ATOM 0 HG2 GLN A 76 4.346 -26.730 27.642 1.00 3.11 H new ATOM 0 HG3 GLN A 76 5.335 -26.826 26.198 1.00 3.11 H new ATOM 0 HE21 GLN A 76 4.437 -24.835 28.975 1.00 24.32 H new ATOM 0 HE22 GLN A 76 5.781 -23.696 28.847 1.00 24.32 H new ATOM 1179 N CYS A 77 0.747 -25.569 24.766 1.00 52.42 N ATOM 1180 CA CYS A 77 -0.306 -24.879 24.000 1.00 43.10 C ATOM 1181 C CYS A 77 -0.942 -23.737 24.800 1.00 14.24 C ATOM 1182 O CYS A 77 -1.099 -23.833 26.018 1.00 12.32 O ATOM 1183 CB CYS A 77 -1.408 -25.861 23.583 1.00 42.14 C ATOM 1184 SG CYS A 77 -0.874 -27.134 22.416 1.00 33.10 S ATOM 0 H CYS A 77 0.573 -25.621 25.770 1.00 52.42 H new ATOM 0 HA CYS A 77 0.175 -24.462 23.116 1.00 43.10 H new ATOM 0 HB2 CYS A 77 -1.802 -26.347 24.476 1.00 42.14 H new ATOM 0 HB3 CYS A 77 -2.229 -25.299 23.138 1.00 42.14 H new ATOM 0 HG CYS A 77 0.414 -27.065 22.258 1.00 33.10 H new ATOM 1190 N PHE A 78 -1.300 -22.656 24.104 1.00 35.10 N ATOM 1191 CA PHE A 78 -2.078 -21.567 24.704 1.00 53.42 C ATOM 1192 C PHE A 78 -3.581 -21.901 24.668 1.00 24.35 C ATOM 1193 O PHE A 78 -4.202 -21.914 23.602 1.00 23.14 O ATOM 1194 CB PHE A 78 -1.825 -20.236 23.972 1.00 43.04 C ATOM 1195 CG PHE A 78 -0.436 -19.668 24.154 1.00 25.24 C ATOM 1196 CD1 PHE A 78 -0.030 -19.176 25.388 1.00 14.24 C ATOM 1197 CD2 PHE A 78 0.456 -19.608 23.090 1.00 64.30 C ATOM 1198 CE1 PHE A 78 1.232 -18.639 25.556 1.00 35.14 C ATOM 1199 CE2 PHE A 78 1.718 -19.068 23.254 1.00 70.14 C ATOM 1200 CZ PHE A 78 2.106 -18.584 24.489 1.00 44.40 C ATOM 0 H PHE A 78 -1.064 -22.510 23.123 1.00 35.10 H new ATOM 0 HA PHE A 78 -1.757 -21.459 25.740 1.00 53.42 H new ATOM 0 HB2 PHE A 78 -2.006 -20.383 22.907 1.00 43.04 H new ATOM 0 HB3 PHE A 78 -2.551 -19.502 24.320 1.00 43.04 H new ATOM 0 HD1 PHE A 78 -0.709 -19.214 26.227 1.00 14.24 H new ATOM 0 HD2 PHE A 78 0.160 -19.988 22.123 1.00 64.30 H new ATOM 0 HE1 PHE A 78 1.535 -18.262 26.522 1.00 35.14 H new ATOM 0 HE2 PHE A 78 2.400 -19.024 22.418 1.00 70.14 H new ATOM 0 HZ PHE A 78 3.092 -18.163 24.619 1.00 44.40 H new ATOM 1210 N TRP A 79 -4.153 -22.191 25.831 1.00 73.43 N ATOM 1211 CA TRP A 79 -5.572 -22.542 25.929 1.00 24.23 C ATOM 1212 C TRP A 79 -6.466 -21.306 26.097 1.00 51.33 C ATOM 1213 O TRP A 79 -6.255 -20.481 26.988 1.00 34.41 O ATOM 1214 CB TRP A 79 -5.798 -23.520 27.086 1.00 1.34 C ATOM 1215 CG TRP A 79 -5.313 -24.909 26.788 1.00 75.24 C ATOM 1216 CD1 TRP A 79 -4.019 -25.336 26.732 1.00 30.43 C ATOM 1217 CD2 TRP A 79 -6.125 -26.052 26.502 1.00 54.42 C ATOM 1218 NE1 TRP A 79 -3.977 -26.678 26.436 1.00 24.24 N ATOM 1219 CE2 TRP A 79 -5.258 -27.139 26.288 1.00 14.33 C ATOM 1220 CE3 TRP A 79 -7.504 -26.259 26.404 1.00 72.12 C ATOM 1221 CZ2 TRP A 79 -5.728 -28.416 25.991 1.00 1.01 C ATOM 1222 CZ3 TRP A 79 -7.968 -27.525 26.106 1.00 22.30 C ATOM 1223 CH2 TRP A 79 -7.082 -28.590 25.900 1.00 73.32 C ATOM 0 H TRP A 79 -3.658 -22.191 26.723 1.00 73.43 H new ATOM 0 HA TRP A 79 -5.853 -23.020 24.990 1.00 24.23 H new ATOM 0 HB2 TRP A 79 -5.288 -23.147 27.974 1.00 1.34 H new ATOM 0 HB3 TRP A 79 -6.862 -23.556 27.321 1.00 1.34 H new ATOM 0 HD1 TRP A 79 -3.154 -24.711 26.896 1.00 30.43 H new ATOM 0 HE1 TRP A 79 -3.130 -27.239 26.342 1.00 24.24 H new ATOM 0 HE3 TRP A 79 -8.194 -25.443 26.559 1.00 72.12 H new ATOM 0 HZ2 TRP A 79 -5.047 -29.240 25.838 1.00 1.01 H new ATOM 0 HZ3 TRP A 79 -9.032 -27.697 26.031 1.00 22.30 H new ATOM 0 HH2 TRP A 79 -7.475 -29.568 25.665 1.00 73.32 H new ATOM 1234 N ILE A 80 -7.465 -21.197 25.226 1.00 35.43 N ATOM 1235 CA ILE A 80 -8.438 -20.106 25.267 1.00 45.12 C ATOM 1236 C ILE A 80 -9.619 -20.451 26.192 1.00 13.44 C ATOM 1237 O ILE A 80 -10.568 -21.116 25.777 1.00 43.31 O ATOM 1238 CB ILE A 80 -8.985 -19.807 23.845 1.00 32.11 C ATOM 1239 CG1 ILE A 80 -7.832 -19.511 22.871 1.00 14.02 C ATOM 1240 CG2 ILE A 80 -9.974 -18.642 23.873 1.00 43.13 C ATOM 1241 CD1 ILE A 80 -8.281 -19.268 21.443 1.00 22.41 C ATOM 0 H ILE A 80 -7.624 -21.863 24.470 1.00 35.43 H new ATOM 0 HA ILE A 80 -7.924 -19.226 25.655 1.00 45.12 H new ATOM 0 HB ILE A 80 -9.514 -20.693 23.495 1.00 32.11 H new ATOM 0 HG12 ILE A 80 -7.287 -18.636 23.224 1.00 14.02 H new ATOM 0 HG13 ILE A 80 -7.134 -20.348 22.885 1.00 14.02 H new ATOM 0 HG21 ILE A 80 -10.342 -18.453 22.865 1.00 43.13 H new ATOM 0 HG22 ILE A 80 -10.812 -18.891 24.524 1.00 43.13 H new ATOM 0 HG23 ILE A 80 -9.474 -17.750 24.250 1.00 43.13 H new ATOM 0 HD11 ILE A 80 -7.411 -19.066 20.817 1.00 22.41 H new ATOM 0 HD12 ILE A 80 -8.800 -20.151 21.069 1.00 22.41 H new ATOM 0 HD13 ILE A 80 -8.955 -18.412 21.414 1.00 22.41 H new ATOM 1253 N LEU A 81 -9.557 -20.015 27.448 1.00 63.01 N ATOM 1254 CA LEU A 81 -10.653 -20.259 28.393 1.00 22.40 C ATOM 1255 C LEU A 81 -11.781 -19.234 28.207 1.00 51.01 C ATOM 1256 O LEU A 81 -11.555 -18.019 28.259 1.00 63.11 O ATOM 1257 CB LEU A 81 -10.150 -20.237 29.847 1.00 41.15 C ATOM 1258 CG LEU A 81 -9.286 -21.440 30.284 1.00 62.44 C ATOM 1259 CD1 LEU A 81 -10.021 -22.757 30.039 1.00 10.04 C ATOM 1260 CD2 LEU A 81 -7.929 -21.435 29.580 1.00 2.43 C ATOM 0 H LEU A 81 -8.769 -19.496 27.836 1.00 63.01 H new ATOM 0 HA LEU A 81 -11.050 -21.252 28.182 1.00 22.40 H new ATOM 0 HB2 LEU A 81 -9.570 -19.326 29.996 1.00 41.15 H new ATOM 0 HB3 LEU A 81 -11.014 -20.177 30.508 1.00 41.15 H new ATOM 0 HG LEU A 81 -9.105 -21.346 31.355 1.00 62.44 H new ATOM 0 HD11 LEU A 81 -9.392 -23.589 30.355 1.00 10.04 H new ATOM 0 HD12 LEU A 81 -10.950 -22.767 30.610 1.00 10.04 H new ATOM 0 HD13 LEU A 81 -10.247 -22.856 28.977 1.00 10.04 H new ATOM 0 HD21 LEU A 81 -7.345 -22.294 29.909 1.00 2.43 H new ATOM 0 HD22 LEU A 81 -8.078 -21.490 28.502 1.00 2.43 H new ATOM 0 HD23 LEU A 81 -7.395 -20.517 29.826 1.00 2.43 H new ATOM 1272 N ARG A 82 -12.992 -19.731 27.971 1.00 52.01 N ATOM 1273 CA ARG A 82 -14.163 -18.876 27.754 1.00 2.12 C ATOM 1274 C ARG A 82 -14.930 -18.638 29.058 1.00 14.21 C ATOM 1275 O ARG A 82 -14.992 -19.514 29.919 1.00 72.23 O ATOM 1276 CB ARG A 82 -15.103 -19.509 26.716 1.00 41.24 C ATOM 1277 CG ARG A 82 -14.470 -19.731 25.341 1.00 74.34 C ATOM 1278 CD ARG A 82 -13.991 -18.425 24.711 1.00 44.00 C ATOM 1279 NE ARG A 82 -12.768 -17.923 25.338 1.00 74.23 N ATOM 1280 CZ ARG A 82 -12.380 -16.677 25.309 1.00 12.45 C ATOM 1281 NH1 ARG A 82 -13.124 -15.763 24.776 1.00 53.44 N ATOM 1282 NH2 ARG A 82 -11.249 -16.348 25.843 1.00 21.51 N ATOM 0 H ARG A 82 -13.192 -20.730 27.924 1.00 52.01 H new ATOM 0 HA ARG A 82 -13.804 -17.916 27.383 1.00 2.12 H new ATOM 0 HB2 ARG A 82 -15.455 -20.467 27.099 1.00 41.24 H new ATOM 0 HB3 ARG A 82 -15.979 -18.871 26.600 1.00 41.24 H new ATOM 0 HG2 ARG A 82 -13.628 -20.417 25.436 1.00 74.34 H new ATOM 0 HG3 ARG A 82 -15.195 -20.207 24.681 1.00 74.34 H new ATOM 0 HD2 ARG A 82 -13.814 -18.581 23.647 1.00 44.00 H new ATOM 0 HD3 ARG A 82 -14.776 -17.673 24.797 1.00 44.00 H new ATOM 0 HE ARG A 82 -12.178 -18.593 25.832 1.00 74.23 H new ATOM 0 HH11 ARG A 82 -14.027 -16.012 24.371 1.00 53.44 H new ATOM 0 HH12 ARG A 82 -12.808 -14.793 24.760 1.00 53.44 H new ATOM 0 HH21 ARG A 82 -10.666 -17.060 26.283 1.00 21.51 H new ATOM 0 HH22 ARG A 82 -10.940 -15.376 25.824 1.00 21.51 H new ATOM 1296 N THR A 83 -15.530 -17.456 29.186 1.00 54.21 N ATOM 1297 CA THR A 83 -16.336 -17.113 30.367 1.00 55.41 C ATOM 1298 C THR A 83 -17.544 -18.047 30.520 1.00 40.53 C ATOM 1299 O THR A 83 -18.100 -18.182 31.610 1.00 42.14 O ATOM 1300 CB THR A 83 -16.834 -15.652 30.300 1.00 24.14 C ATOM 1301 OG1 THR A 83 -17.551 -15.440 29.078 1.00 23.21 O ATOM 1302 CG2 THR A 83 -15.668 -14.671 30.382 1.00 24.41 C ATOM 0 H THR A 83 -15.476 -16.715 28.487 1.00 54.21 H new ATOM 0 HA THR A 83 -15.685 -17.233 31.233 1.00 55.41 H new ATOM 0 HB THR A 83 -17.493 -15.478 31.150 1.00 24.14 H new ATOM 0 HG1 THR A 83 -17.866 -14.513 29.040 1.00 23.21 H new ATOM 0 HG21 THR A 83 -16.047 -13.650 30.333 1.00 24.41 H new ATOM 0 HG22 THR A 83 -15.136 -14.815 31.323 1.00 24.41 H new ATOM 0 HG23 THR A 83 -14.986 -14.846 29.550 1.00 24.41 H new ATOM 1310 N ASP A 84 -17.954 -18.683 29.420 1.00 10.03 N ATOM 1311 CA ASP A 84 -19.027 -19.686 29.452 1.00 73.54 C ATOM 1312 C ASP A 84 -18.632 -20.904 30.305 1.00 71.34 C ATOM 1313 O ASP A 84 -19.486 -21.620 30.830 1.00 22.14 O ATOM 1314 CB ASP A 84 -19.344 -20.169 28.033 1.00 3.04 C ATOM 1315 CG ASP A 84 -19.564 -19.029 27.064 1.00 43.13 C ATOM 1316 OD1 ASP A 84 -20.693 -18.492 27.012 1.00 32.14 O ATOM 1317 OD2 ASP A 84 -18.604 -18.670 26.351 1.00 1.50 O ATOM 0 H ASP A 84 -17.560 -18.522 28.493 1.00 10.03 H new ATOM 0 HA ASP A 84 -19.902 -19.210 29.894 1.00 73.54 H new ATOM 0 HB2 ASP A 84 -18.525 -20.792 27.674 1.00 3.04 H new ATOM 0 HB3 ASP A 84 -20.235 -20.796 28.058 1.00 3.04 H new ATOM 1322 N GLY A 85 -17.325 -21.126 30.434 1.00 0.10 N ATOM 1323 CA GLY A 85 -16.813 -22.339 31.062 1.00 14.12 C ATOM 1324 C GLY A 85 -16.135 -23.266 30.055 1.00 45.35 C ATOM 1325 O GLY A 85 -15.516 -24.263 30.432 1.00 54.30 O ATOM 0 H GLY A 85 -16.603 -20.481 30.112 1.00 0.10 H new ATOM 0 HA2 GLY A 85 -16.101 -22.070 31.842 1.00 14.12 H new ATOM 0 HA3 GLY A 85 -17.633 -22.869 31.547 1.00 14.12 H new ATOM 1329 N SER A 86 -16.247 -22.923 28.770 1.00 44.40 N ATOM 1330 CA SER A 86 -15.662 -23.725 27.679 1.00 52.45 C ATOM 1331 C SER A 86 -14.174 -23.400 27.460 1.00 63.24 C ATOM 1332 O SER A 86 -13.626 -22.494 28.091 1.00 50.12 O ATOM 1333 CB SER A 86 -16.444 -23.495 26.377 1.00 62.54 C ATOM 1334 OG SER A 86 -15.875 -24.217 25.299 1.00 4.03 O ATOM 0 H SER A 86 -16.741 -22.089 28.452 1.00 44.40 H new ATOM 0 HA SER A 86 -15.733 -24.773 27.969 1.00 52.45 H new ATOM 0 HB2 SER A 86 -17.481 -23.801 26.515 1.00 62.54 H new ATOM 0 HB3 SER A 86 -16.454 -22.431 26.140 1.00 62.54 H new ATOM 0 HG SER A 86 -16.395 -24.052 24.485 1.00 4.03 H new ATOM 1340 N GLU A 87 -13.531 -24.131 26.549 1.00 62.25 N ATOM 1341 CA GLU A 87 -12.090 -23.983 26.299 1.00 3.02 C ATOM 1342 C GLU A 87 -11.716 -24.197 24.819 1.00 12.21 C ATOM 1343 O GLU A 87 -12.568 -24.493 23.976 1.00 51.40 O ATOM 1344 CB GLU A 87 -11.299 -24.956 27.201 1.00 35.30 C ATOM 1345 CG GLU A 87 -11.964 -26.322 27.408 1.00 51.02 C ATOM 1346 CD GLU A 87 -12.238 -27.079 26.113 1.00 4.53 C ATOM 1347 OE1 GLU A 87 -11.309 -27.728 25.586 1.00 72.42 O ATOM 1348 OE2 GLU A 87 -13.388 -27.037 25.616 1.00 53.54 O ATOM 0 H GLU A 87 -13.985 -24.836 25.968 1.00 62.25 H new ATOM 0 HA GLU A 87 -11.823 -22.955 26.543 1.00 3.02 H new ATOM 0 HB2 GLU A 87 -10.311 -25.110 26.767 1.00 35.30 H new ATOM 0 HB3 GLU A 87 -11.150 -24.488 28.174 1.00 35.30 H new ATOM 0 HG2 GLU A 87 -11.325 -26.933 28.046 1.00 51.02 H new ATOM 0 HG3 GLU A 87 -12.905 -26.180 27.940 1.00 51.02 H new ATOM 1355 N GLU A 88 -10.426 -24.032 24.521 1.00 45.23 N ATOM 1356 CA GLU A 88 -9.885 -24.222 23.167 1.00 70.02 C ATOM 1357 C GLU A 88 -8.347 -24.212 23.196 1.00 53.30 C ATOM 1358 O GLU A 88 -7.744 -23.649 24.107 1.00 12.35 O ATOM 1359 CB GLU A 88 -10.402 -23.117 22.222 1.00 53.25 C ATOM 1360 CG GLU A 88 -9.863 -23.195 20.790 1.00 65.42 C ATOM 1361 CD GLU A 88 -10.291 -24.456 20.051 1.00 44.42 C ATOM 1362 OE1 GLU A 88 -9.623 -25.499 20.195 1.00 15.12 O ATOM 1363 OE2 GLU A 88 -11.296 -24.411 19.316 1.00 14.14 O ATOM 0 H GLU A 88 -9.723 -23.763 25.210 1.00 45.23 H new ATOM 0 HA GLU A 88 -10.222 -25.190 22.795 1.00 70.02 H new ATOM 0 HB2 GLU A 88 -11.490 -23.166 22.189 1.00 53.25 H new ATOM 0 HB3 GLU A 88 -10.139 -22.146 22.642 1.00 53.25 H new ATOM 0 HG2 GLU A 88 -10.205 -22.323 20.233 1.00 65.42 H new ATOM 0 HG3 GLU A 88 -8.774 -23.150 20.816 1.00 65.42 H new ATOM 1370 N ARG A 89 -7.716 -24.845 22.212 1.00 4.43 N ATOM 1371 CA ARG A 89 -6.254 -24.807 22.076 1.00 61.34 C ATOM 1372 C ARG A 89 -5.848 -24.502 20.622 1.00 42.35 C ATOM 1373 O ARG A 89 -6.076 -25.306 19.717 1.00 5.13 O ATOM 1374 CB ARG A 89 -5.634 -26.135 22.554 1.00 11.11 C ATOM 1375 CG ARG A 89 -6.007 -27.352 21.705 1.00 73.44 C ATOM 1376 CD ARG A 89 -5.513 -28.657 22.322 1.00 43.02 C ATOM 1377 NE ARG A 89 -4.092 -28.608 22.676 1.00 75.42 N ATOM 1378 CZ ARG A 89 -3.525 -29.427 23.520 1.00 72.24 C ATOM 1379 NH1 ARG A 89 -4.192 -30.416 24.022 1.00 32.15 N ATOM 1380 NH2 ARG A 89 -2.281 -29.274 23.841 1.00 40.40 N ATOM 0 H ARG A 89 -8.190 -25.392 21.494 1.00 4.43 H new ATOM 0 HA ARG A 89 -5.870 -24.005 22.706 1.00 61.34 H new ATOM 0 HB2 ARG A 89 -4.549 -26.032 22.562 1.00 11.11 H new ATOM 0 HB3 ARG A 89 -5.945 -26.317 23.583 1.00 11.11 H new ATOM 0 HG2 ARG A 89 -7.090 -27.394 21.589 1.00 73.44 H new ATOM 0 HG3 ARG A 89 -5.583 -27.240 20.707 1.00 73.44 H new ATOM 0 HD2 ARG A 89 -6.099 -28.878 23.214 1.00 43.02 H new ATOM 0 HD3 ARG A 89 -5.681 -29.474 21.620 1.00 43.02 H new ATOM 0 HE ARG A 89 -3.512 -27.893 22.238 1.00 75.42 H new ATOM 0 HH11 ARG A 89 -5.167 -30.559 23.759 1.00 32.15 H new ATOM 0 HH12 ARG A 89 -3.743 -31.052 24.681 1.00 32.15 H new ATOM 0 HH21 ARG A 89 -1.739 -28.511 23.434 1.00 40.40 H new ATOM 0 HH22 ARG A 89 -1.842 -29.916 24.501 1.00 40.40 H new ATOM 1394 N PHE A 90 -5.257 -23.331 20.391 1.00 21.43 N ATOM 1395 CA PHE A 90 -4.863 -22.931 19.033 1.00 22.11 C ATOM 1396 C PHE A 90 -3.344 -23.037 18.825 1.00 20.22 C ATOM 1397 O PHE A 90 -2.549 -22.652 19.688 1.00 55.44 O ATOM 1398 CB PHE A 90 -5.353 -21.504 18.722 1.00 74.43 C ATOM 1399 CG PHE A 90 -4.653 -20.404 19.494 1.00 44.30 C ATOM 1400 CD1 PHE A 90 -4.908 -20.206 20.845 1.00 13.10 C ATOM 1401 CD2 PHE A 90 -3.752 -19.557 18.860 1.00 14.55 C ATOM 1402 CE1 PHE A 90 -4.281 -19.190 21.544 1.00 33.43 C ATOM 1403 CE2 PHE A 90 -3.121 -18.543 19.556 1.00 63.40 C ATOM 1404 CZ PHE A 90 -3.386 -18.359 20.898 1.00 34.45 C ATOM 0 H PHE A 90 -5.040 -22.646 21.115 1.00 21.43 H new ATOM 0 HA PHE A 90 -5.339 -23.623 18.339 1.00 22.11 H new ATOM 0 HB2 PHE A 90 -5.226 -21.317 17.656 1.00 74.43 H new ATOM 0 HB3 PHE A 90 -6.422 -21.450 18.930 1.00 74.43 H new ATOM 0 HD1 PHE A 90 -5.605 -20.854 21.356 1.00 13.10 H new ATOM 0 HD2 PHE A 90 -3.542 -19.693 17.809 1.00 14.55 H new ATOM 0 HE1 PHE A 90 -4.491 -19.047 22.594 1.00 33.43 H new ATOM 0 HE2 PHE A 90 -2.421 -17.895 19.050 1.00 63.40 H new ATOM 0 HZ PHE A 90 -2.894 -17.566 21.442 1.00 34.45 H new ATOM 1414 N SER A 91 -2.946 -23.569 17.672 1.00 41.12 N ATOM 1415 CA SER A 91 -1.529 -23.689 17.323 1.00 73.11 C ATOM 1416 C SER A 91 -0.965 -22.343 16.854 1.00 53.42 C ATOM 1417 O SER A 91 -0.978 -22.032 15.662 1.00 23.03 O ATOM 1418 CB SER A 91 -1.328 -24.756 16.235 1.00 50.32 C ATOM 1419 OG SER A 91 -2.184 -24.532 15.123 1.00 24.32 O ATOM 0 H SER A 91 -3.585 -23.925 16.961 1.00 41.12 H new ATOM 0 HA SER A 91 -0.988 -23.996 18.218 1.00 73.11 H new ATOM 0 HB2 SER A 91 -0.290 -24.749 15.904 1.00 50.32 H new ATOM 0 HB3 SER A 91 -1.522 -25.744 16.652 1.00 50.32 H new ATOM 0 HG SER A 91 -2.140 -23.589 14.861 1.00 24.32 H new ATOM 1425 N TYR A 92 -0.484 -21.547 17.810 1.00 60.35 N ATOM 1426 CA TYR A 92 0.059 -20.207 17.534 1.00 62.01 C ATOM 1427 C TYR A 92 1.066 -20.207 16.364 1.00 40.21 C ATOM 1428 O TYR A 92 1.056 -19.300 15.528 1.00 12.01 O ATOM 1429 CB TYR A 92 0.718 -19.631 18.801 1.00 42.03 C ATOM 1430 CG TYR A 92 1.953 -20.392 19.255 1.00 1.21 C ATOM 1431 CD1 TYR A 92 1.852 -21.679 19.772 1.00 12.33 C ATOM 1432 CD2 TYR A 92 3.221 -19.823 19.161 1.00 0.42 C ATOM 1433 CE1 TYR A 92 2.974 -22.377 20.175 1.00 65.40 C ATOM 1434 CE2 TYR A 92 4.346 -20.515 19.564 1.00 2.11 C ATOM 1435 CZ TYR A 92 4.218 -21.790 20.070 1.00 3.13 C ATOM 1436 OH TYR A 92 5.337 -22.483 20.467 1.00 74.10 O ATOM 0 H TYR A 92 -0.458 -21.808 18.796 1.00 60.35 H new ATOM 0 HA TYR A 92 -0.778 -19.576 17.237 1.00 62.01 H new ATOM 0 HB2 TYR A 92 0.991 -18.592 18.616 1.00 42.03 H new ATOM 0 HB3 TYR A 92 -0.013 -19.629 19.610 1.00 42.03 H new ATOM 0 HD1 TYR A 92 0.880 -22.141 19.860 1.00 12.33 H new ATOM 0 HD2 TYR A 92 3.326 -18.823 18.766 1.00 0.42 H new ATOM 0 HE1 TYR A 92 2.878 -23.377 20.570 1.00 65.40 H new ATOM 0 HE2 TYR A 92 5.322 -20.059 19.483 1.00 2.11 H new ATOM 0 HH TYR A 92 6.106 -22.197 19.932 1.00 74.10 H new ATOM 1446 N LYS A 93 1.934 -21.222 16.302 1.00 34.04 N ATOM 1447 CA LYS A 93 2.911 -21.326 15.208 1.00 71.54 C ATOM 1448 C LYS A 93 2.215 -21.614 13.863 1.00 21.42 C ATOM 1449 O LYS A 93 2.236 -20.780 12.948 1.00 12.33 O ATOM 1450 CB LYS A 93 3.987 -22.390 15.521 1.00 2.02 C ATOM 1451 CG LYS A 93 3.450 -23.795 15.799 1.00 72.45 C ATOM 1452 CD LYS A 93 4.578 -24.817 15.936 1.00 74.45 C ATOM 1453 CE LYS A 93 4.045 -26.241 16.079 1.00 23.22 C ATOM 1454 NZ LYS A 93 5.143 -27.243 16.184 1.00 70.04 N ATOM 0 H LYS A 93 1.982 -21.976 16.987 1.00 34.04 H new ATOM 0 HA LYS A 93 3.413 -20.363 15.119 1.00 71.54 H new ATOM 0 HB2 LYS A 93 4.679 -22.442 14.681 1.00 2.02 H new ATOM 0 HB3 LYS A 93 4.561 -22.060 16.387 1.00 2.02 H new ATOM 0 HG2 LYS A 93 2.857 -23.783 16.714 1.00 72.45 H new ATOM 0 HG3 LYS A 93 2.783 -24.096 14.991 1.00 72.45 H new ATOM 0 HD2 LYS A 93 5.228 -24.759 15.063 1.00 74.45 H new ATOM 0 HD3 LYS A 93 5.188 -24.569 16.805 1.00 74.45 H new ATOM 0 HE2 LYS A 93 3.412 -26.303 16.964 1.00 23.22 H new ATOM 0 HE3 LYS A 93 3.417 -26.480 15.221 1.00 23.22 H new ATOM 0 HZ1 LYS A 93 4.736 -28.195 16.279 1.00 70.04 H new ATOM 0 HZ2 LYS A 93 5.733 -27.203 15.328 1.00 70.04 H new ATOM 0 HZ3 LYS A 93 5.728 -27.031 17.018 1.00 70.04 H new