USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 761 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 18 MET CE :methyl 167:sc= -0.948 (180deg=-1.29) USER MOD Set 1.2: A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 70:sc= -0.151 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0392 USER MOD Single : A 20 SER OG : rot -160:sc= -0.198 USER MOD Single : A 24 LYS NZ :NH3+ 179:sc= 0.585 (180deg=0.584) USER MOD Single : A 26 LYS NZ :NH3+ 172:sc= 0.949 (180deg=0.849) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.816 F(o=-1.6,f=-0.82) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0963 X(o=-0.096,f=0) USER MOD Single : A 37 TYR OH : rot 146:sc= 0.798 USER MOD Single : A 38 HIS : no HD1:sc= -0.539 X(o=-0.54,f=-0.24) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -162:sc= 0.848 (180deg=0.691) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -150:sc= 1.89 (180deg=1) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.058) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -112:sc= -0.0889 (180deg=-2.04!) USER MOD Single : A 97 TYR OH : rot 46:sc= 0.485 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 170:sc= 0.0529 USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 180 N THR A 14 9.417 -7.797 -2.554 1.00 0.00 N ATOM 181 CA THR A 14 8.287 -8.342 -1.807 1.00 0.00 C ATOM 182 C THR A 14 7.663 -9.451 -2.654 1.00 0.00 C ATOM 183 O THR A 14 7.440 -10.560 -2.153 1.00 0.00 O ATOM 184 CB THR A 14 7.271 -7.255 -1.408 1.00 0.00 C ATOM 185 OG1 THR A 14 6.114 -7.861 -0.903 1.00 0.00 O ATOM 186 CG2 THR A 14 6.829 -6.302 -2.524 1.00 0.00 C ATOM 0 HA THR A 14 8.632 -8.757 -0.860 1.00 0.00 H new ATOM 0 HB THR A 14 7.804 -6.650 -0.674 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.310 -8.267 -0.033 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.115 -5.582 -2.126 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.698 -5.773 -2.916 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.360 -6.873 -3.325 1.00 0.00 H new ATOM 194 N SER A 15 7.460 -9.168 -3.939 1.00 0.00 N ATOM 195 CA SER A 15 6.877 -10.050 -4.929 1.00 0.00 C ATOM 196 C SER A 15 5.376 -10.211 -4.682 1.00 0.00 C ATOM 197 O SER A 15 4.821 -11.305 -4.791 1.00 0.00 O ATOM 198 CB SER A 15 7.684 -11.358 -5.029 1.00 0.00 C ATOM 199 OG SER A 15 7.880 -11.749 -6.374 1.00 0.00 O ATOM 0 H SER A 15 7.715 -8.262 -4.333 1.00 0.00 H new ATOM 0 HA SER A 15 6.947 -9.609 -5.924 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.651 -11.227 -4.543 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.162 -12.150 -4.492 1.00 0.00 H new ATOM 0 HG SER A 15 8.397 -12.581 -6.401 1.00 0.00 H new ATOM 205 N GLU A 16 4.702 -9.126 -4.303 1.00 0.00 N ATOM 206 CA GLU A 16 3.270 -9.077 -4.042 1.00 0.00 C ATOM 207 C GLU A 16 2.734 -7.779 -4.655 1.00 0.00 C ATOM 208 O GLU A 16 3.492 -6.997 -5.243 1.00 0.00 O ATOM 209 CB GLU A 16 2.983 -9.276 -2.533 1.00 0.00 C ATOM 210 CG GLU A 16 3.006 -8.038 -1.623 1.00 0.00 C ATOM 211 CD GLU A 16 2.984 -8.395 -0.110 1.00 0.00 C ATOM 212 OE1 GLU A 16 2.218 -9.303 0.302 1.00 0.00 O ATOM 213 OE2 GLU A 16 3.625 -7.724 0.738 1.00 0.00 O ATOM 0 H GLU A 16 5.159 -8.224 -4.165 1.00 0.00 H new ATOM 0 HA GLU A 16 2.733 -9.898 -4.516 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.002 -9.741 -2.439 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.712 -9.988 -2.146 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.899 -7.452 -1.839 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.147 -7.408 -1.854 1.00 0.00 H new ATOM 220 N THR A 17 1.429 -7.548 -4.564 1.00 0.00 N ATOM 221 CA THR A 17 0.789 -6.359 -5.101 1.00 0.00 C ATOM 222 C THR A 17 -0.084 -5.737 -4.011 1.00 0.00 C ATOM 223 O THR A 17 -0.254 -6.285 -2.918 1.00 0.00 O ATOM 224 CB THR A 17 0.033 -6.726 -6.392 1.00 0.00 C ATOM 225 OG1 THR A 17 -0.533 -5.580 -6.997 1.00 0.00 O ATOM 226 CG2 THR A 17 -1.083 -7.742 -6.140 1.00 0.00 C ATOM 0 H THR A 17 0.780 -8.191 -4.109 1.00 0.00 H new ATOM 0 HA THR A 17 1.516 -5.599 -5.387 1.00 0.00 H new ATOM 0 HB THR A 17 0.773 -7.171 -7.058 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.005 -5.841 -7.815 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.587 -7.969 -7.079 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.656 -8.656 -5.727 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.802 -7.325 -5.434 1.00 0.00 H new ATOM 234 N MET A 18 -0.647 -4.566 -4.307 1.00 0.00 N ATOM 235 CA MET A 18 -1.503 -3.846 -3.381 1.00 0.00 C ATOM 236 C MET A 18 -2.679 -4.719 -2.940 1.00 0.00 C ATOM 237 O MET A 18 -3.072 -4.676 -1.777 1.00 0.00 O ATOM 238 CB MET A 18 -2.024 -2.559 -4.036 1.00 0.00 C ATOM 239 CG MET A 18 -1.034 -1.407 -3.853 1.00 0.00 C ATOM 240 SD MET A 18 -1.432 -0.223 -2.529 1.00 0.00 S ATOM 241 CE MET A 18 -2.063 -1.271 -1.184 1.00 0.00 C ATOM 0 H MET A 18 -0.518 -4.093 -5.201 1.00 0.00 H new ATOM 0 HA MET A 18 -0.915 -3.587 -2.501 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.194 -2.731 -5.099 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.986 -2.289 -3.600 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.049 -1.828 -3.654 1.00 0.00 H new ATOM 0 HG3 MET A 18 -0.963 -0.861 -4.794 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.115 -0.690 -0.263 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.058 -1.633 -1.441 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.394 -2.120 -1.040 1.00 0.00 H new ATOM 251 N GLU A 19 -3.227 -5.517 -3.857 1.00 0.00 N ATOM 252 CA GLU A 19 -4.353 -6.396 -3.573 1.00 0.00 C ATOM 253 C GLU A 19 -3.971 -7.461 -2.549 1.00 0.00 C ATOM 254 O GLU A 19 -4.745 -7.741 -1.635 1.00 0.00 O ATOM 255 CB GLU A 19 -4.858 -7.039 -4.867 1.00 0.00 C ATOM 256 CG GLU A 19 -5.260 -5.967 -5.889 1.00 0.00 C ATOM 257 CD GLU A 19 -6.376 -6.470 -6.794 1.00 0.00 C ATOM 258 OE1 GLU A 19 -7.519 -6.603 -6.301 1.00 0.00 O ATOM 259 OE2 GLU A 19 -6.086 -6.741 -7.985 1.00 0.00 O ATOM 0 H GLU A 19 -2.898 -5.569 -4.821 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.158 -5.799 -3.144 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.081 -7.676 -5.289 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.713 -7.680 -4.650 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.587 -5.067 -5.368 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.395 -5.691 -6.491 1.00 0.00 H new ATOM 266 N SER A 20 -2.763 -8.021 -2.666 1.00 0.00 N ATOM 267 CA SER A 20 -2.246 -9.039 -1.764 1.00 0.00 C ATOM 268 C SER A 20 -2.209 -8.511 -0.336 1.00 0.00 C ATOM 269 O SER A 20 -2.367 -9.276 0.620 1.00 0.00 O ATOM 270 CB SER A 20 -0.824 -9.423 -2.187 1.00 0.00 C ATOM 271 OG SER A 20 -0.707 -9.598 -3.587 1.00 0.00 O ATOM 0 H SER A 20 -2.109 -7.770 -3.407 1.00 0.00 H new ATOM 0 HA SER A 20 -2.899 -9.910 -1.810 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.129 -8.649 -1.861 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.534 -10.345 -1.683 1.00 0.00 H new ATOM 0 HG SER A 20 0.090 -10.134 -3.784 1.00 0.00 H new ATOM 277 N LEU A 21 -1.977 -7.203 -0.192 1.00 0.00 N ATOM 278 CA LEU A 21 -1.918 -6.571 1.105 1.00 0.00 C ATOM 279 C LEU A 21 -3.311 -6.474 1.684 1.00 0.00 C ATOM 280 O LEU A 21 -3.567 -6.990 2.771 1.00 0.00 O ATOM 281 CB LEU A 21 -1.369 -5.135 1.012 1.00 0.00 C ATOM 282 CG LEU A 21 -0.013 -4.931 0.341 1.00 0.00 C ATOM 283 CD1 LEU A 21 0.536 -3.591 0.826 1.00 0.00 C ATOM 284 CD2 LEU A 21 0.991 -6.027 0.655 1.00 0.00 C ATOM 0 H LEU A 21 -1.827 -6.566 -0.974 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.261 -7.177 1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.101 -4.531 0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.305 -4.735 2.024 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.161 -4.956 -0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.508 -3.408 0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.153 -2.793 0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.645 -3.614 1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.931 -5.816 0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.163 -6.066 1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.601 -6.986 0.315 1.00 0.00 H new ATOM 296 N ILE A 22 -4.225 -5.866 0.933 1.00 0.00 N ATOM 297 CA ILE A 22 -5.587 -5.662 1.375 1.00 0.00 C ATOM 298 C ILE A 22 -6.263 -6.989 1.711 1.00 0.00 C ATOM 299 O ILE A 22 -6.896 -7.085 2.756 1.00 0.00 O ATOM 300 CB ILE A 22 -6.368 -4.844 0.334 1.00 0.00 C ATOM 301 CG1 ILE A 22 -5.719 -3.474 0.032 1.00 0.00 C ATOM 302 CG2 ILE A 22 -7.764 -4.634 0.917 1.00 0.00 C ATOM 303 CD1 ILE A 22 -6.262 -2.845 -1.257 1.00 0.00 C ATOM 0 H ILE A 22 -4.034 -5.503 -0.001 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.576 -5.083 2.299 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.383 -5.383 -0.613 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.898 -2.797 0.868 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.639 -3.597 -0.053 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.367 -4.056 0.217 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.236 -5.601 1.089 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.687 -4.095 1.861 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.776 -1.884 -1.426 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.059 -3.507 -2.099 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.338 -2.696 -1.164 1.00 0.00 H new ATOM 315 N ASP A 23 -6.090 -8.005 0.870 1.00 0.00 N ATOM 316 CA ASP A 23 -6.676 -9.332 1.071 1.00 0.00 C ATOM 317 C ASP A 23 -6.284 -9.962 2.409 1.00 0.00 C ATOM 318 O ASP A 23 -7.039 -10.781 2.932 1.00 0.00 O ATOM 319 CB ASP A 23 -6.263 -10.263 -0.067 1.00 0.00 C ATOM 320 CG ASP A 23 -7.002 -11.599 0.020 1.00 0.00 C ATOM 321 OD1 ASP A 23 -8.149 -11.673 -0.474 1.00 0.00 O ATOM 322 OD2 ASP A 23 -6.396 -12.623 0.417 1.00 0.00 O ATOM 0 H ASP A 23 -5.533 -7.932 0.019 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.758 -9.197 1.080 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.475 -9.788 -1.025 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.187 -10.435 -0.028 1.00 0.00 H new ATOM 327 N LYS A 24 -5.117 -9.596 2.957 1.00 0.00 N ATOM 328 CA LYS A 24 -4.638 -10.114 4.242 1.00 0.00 C ATOM 329 C LYS A 24 -4.893 -9.120 5.375 1.00 0.00 C ATOM 330 O LYS A 24 -4.785 -9.503 6.538 1.00 0.00 O ATOM 331 CB LYS A 24 -3.128 -10.425 4.093 1.00 0.00 C ATOM 332 CG LYS A 24 -2.136 -9.478 4.797 1.00 0.00 C ATOM 333 CD LYS A 24 -1.844 -9.887 6.266 1.00 0.00 C ATOM 334 CE LYS A 24 -1.961 -8.716 7.264 1.00 0.00 C ATOM 335 NZ LYS A 24 -2.749 -9.051 8.468 1.00 0.00 N ATOM 0 H LYS A 24 -4.479 -8.931 2.519 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.182 -11.021 4.504 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.953 -11.434 4.467 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.889 -10.433 3.030 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.200 -9.460 4.238 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.536 -8.464 4.781 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.537 -10.676 6.560 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.840 -10.306 6.326 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.961 -8.405 7.567 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.421 -7.865 6.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.776 -8.229 9.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.718 -9.305 8.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.308 -9.855 8.959 1.00 0.00 H new ATOM 349 N GLY A 25 -5.235 -7.873 5.058 1.00 0.00 N ATOM 350 CA GLY A 25 -5.495 -6.825 6.026 1.00 0.00 C ATOM 351 C GLY A 25 -4.267 -5.946 6.262 1.00 0.00 C ATOM 352 O GLY A 25 -4.076 -5.430 7.356 1.00 0.00 O ATOM 0 H GLY A 25 -5.340 -7.561 4.092 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.322 -6.206 5.677 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.807 -7.272 6.970 1.00 0.00 H new ATOM 356 N LYS A 26 -3.367 -5.813 5.285 1.00 0.00 N ATOM 357 CA LYS A 26 -2.173 -4.972 5.397 1.00 0.00 C ATOM 358 C LYS A 26 -2.592 -3.592 4.873 1.00 0.00 C ATOM 359 O LYS A 26 -2.272 -3.232 3.744 1.00 0.00 O ATOM 360 CB LYS A 26 -0.994 -5.556 4.592 1.00 0.00 C ATOM 361 CG LYS A 26 -0.081 -6.538 5.335 1.00 0.00 C ATOM 362 CD LYS A 26 1.230 -6.889 4.599 1.00 0.00 C ATOM 363 CE LYS A 26 1.066 -7.994 3.540 1.00 0.00 C ATOM 364 NZ LYS A 26 2.349 -8.458 2.959 1.00 0.00 N ATOM 0 H LYS A 26 -3.447 -6.290 4.387 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.818 -4.913 6.426 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.397 -6.061 3.714 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.384 -4.728 4.231 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.168 -6.115 6.308 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.635 -7.458 5.519 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.618 -5.991 4.118 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.974 -7.206 5.330 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.553 -8.844 3.991 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.427 -7.625 2.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.177 -9.289 2.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.766 -7.697 2.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.005 -8.714 3.725 1.00 0.00 H new ATOM 378 N LEU A 27 -3.375 -2.832 5.638 1.00 0.00 N ATOM 379 CA LEU A 27 -3.833 -1.495 5.239 1.00 0.00 C ATOM 380 C LEU A 27 -2.860 -0.412 5.706 1.00 0.00 C ATOM 381 O LEU A 27 -3.055 0.762 5.388 1.00 0.00 O ATOM 382 CB LEU A 27 -5.232 -1.186 5.816 1.00 0.00 C ATOM 383 CG LEU A 27 -6.433 -1.982 5.273 1.00 0.00 C ATOM 384 CD1 LEU A 27 -6.379 -2.144 3.754 1.00 0.00 C ATOM 385 CD2 LEU A 27 -6.552 -3.371 5.891 1.00 0.00 C ATOM 0 H LEU A 27 -3.712 -3.124 6.555 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.882 -1.493 4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.190 -1.341 6.894 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.433 -0.127 5.654 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.305 -1.391 5.552 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.246 -2.712 3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.384 -1.161 3.283 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.468 -2.675 3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.416 -3.884 5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.650 -3.944 5.676 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.675 -3.280 6.970 1.00 0.00 H new ATOM 397 N ASP A 28 -1.829 -0.779 6.466 1.00 0.00 N ATOM 398 CA ASP A 28 -0.820 0.138 7.013 1.00 0.00 C ATOM 399 C ASP A 28 0.420 0.189 6.135 1.00 0.00 C ATOM 400 O ASP A 28 1.406 0.835 6.484 1.00 0.00 O ATOM 401 CB ASP A 28 -0.427 -0.275 8.441 1.00 0.00 C ATOM 402 CG ASP A 28 -1.540 0.013 9.438 1.00 0.00 C ATOM 403 OD1 ASP A 28 -1.896 1.190 9.658 1.00 0.00 O ATOM 404 OD2 ASP A 28 -2.102 -0.943 10.022 1.00 0.00 O ATOM 0 H ASP A 28 -1.665 -1.751 6.728 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.265 1.133 7.038 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.189 -1.338 8.459 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.475 0.259 8.739 1.00 0.00 H new ATOM 409 N GLN A 29 0.418 -0.514 5.009 1.00 0.00 N ATOM 410 CA GLN A 29 1.530 -0.563 4.082 1.00 0.00 C ATOM 411 C GLN A 29 0.976 -0.631 2.666 1.00 0.00 C ATOM 412 O GLN A 29 -0.186 -0.984 2.475 1.00 0.00 O ATOM 413 CB GLN A 29 2.493 -1.706 4.473 1.00 0.00 C ATOM 414 CG GLN A 29 1.864 -3.077 4.769 1.00 0.00 C ATOM 415 CD GLN A 29 2.516 -3.816 5.942 1.00 0.00 C ATOM 416 OE1 GLN A 29 3.835 -3.889 6.026 1.00 0.00 O flip ATOM 417 NE2 GLN A 29 1.832 -4.380 6.783 1.00 0.00 N flip ATOM 0 H GLN A 29 -0.379 -1.078 4.713 1.00 0.00 H new ATOM 0 HA GLN A 29 2.141 0.339 4.127 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.215 -1.832 3.666 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.051 -1.392 5.355 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.804 -2.942 4.981 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.933 -3.699 3.876 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.815 -4.331 6.729 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.278 -4.900 7.539 1.00 0.00 H new ATOM 426 N VAL A 30 1.797 -0.279 1.679 1.00 0.00 N ATOM 427 CA VAL A 30 1.412 -0.274 0.265 1.00 0.00 C ATOM 428 C VAL A 30 2.528 -0.841 -0.613 1.00 0.00 C ATOM 429 O VAL A 30 3.655 -0.993 -0.128 1.00 0.00 O ATOM 430 CB VAL A 30 1.029 1.154 -0.168 1.00 0.00 C ATOM 431 CG1 VAL A 30 -0.151 1.718 0.641 1.00 0.00 C ATOM 432 CG2 VAL A 30 2.223 2.109 -0.087 1.00 0.00 C ATOM 0 H VAL A 30 2.761 0.015 1.838 1.00 0.00 H new ATOM 0 HA VAL A 30 0.543 -0.920 0.137 1.00 0.00 H new ATOM 0 HB VAL A 30 0.713 1.077 -1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.380 2.726 0.296 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.024 1.080 0.503 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.114 1.748 1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.913 3.106 -0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.589 2.148 0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.018 1.754 -0.742 1.00 0.00 H new ATOM 442 N VAL A 31 2.229 -1.125 -1.890 1.00 0.00 N ATOM 443 CA VAL A 31 3.181 -1.652 -2.849 1.00 0.00 C ATOM 444 C VAL A 31 3.233 -0.753 -4.080 1.00 0.00 C ATOM 445 O VAL A 31 2.186 -0.373 -4.618 1.00 0.00 O ATOM 446 CB VAL A 31 2.883 -3.101 -3.290 1.00 0.00 C ATOM 447 CG1 VAL A 31 4.148 -3.853 -3.640 1.00 0.00 C ATOM 448 CG2 VAL A 31 2.201 -3.959 -2.227 1.00 0.00 C ATOM 0 H VAL A 31 1.297 -0.988 -2.281 1.00 0.00 H new ATOM 0 HA VAL A 31 4.144 -1.669 -2.339 1.00 0.00 H new ATOM 0 HB VAL A 31 2.220 -2.964 -4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.895 -4.868 -3.945 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.659 -3.345 -4.458 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.803 -3.888 -2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.030 -4.960 -2.622 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.839 -4.021 -1.345 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.247 -3.509 -1.953 1.00 0.00 H new ATOM 458 N TYR A 32 4.443 -0.428 -4.521 1.00 0.00 N ATOM 459 CA TYR A 32 4.728 0.386 -5.694 1.00 0.00 C ATOM 460 C TYR A 32 6.031 -0.146 -6.271 1.00 0.00 C ATOM 461 O TYR A 32 7.009 -0.287 -5.545 1.00 0.00 O ATOM 462 CB TYR A 32 4.855 1.882 -5.353 1.00 0.00 C ATOM 463 CG TYR A 32 5.505 2.761 -6.428 1.00 0.00 C ATOM 464 CD1 TYR A 32 5.232 2.582 -7.801 1.00 0.00 C ATOM 465 CD2 TYR A 32 6.393 3.788 -6.052 1.00 0.00 C ATOM 466 CE1 TYR A 32 5.927 3.330 -8.773 1.00 0.00 C ATOM 467 CE2 TYR A 32 7.101 4.532 -7.011 1.00 0.00 C ATOM 468 CZ TYR A 32 6.917 4.257 -8.382 1.00 0.00 C ATOM 469 OH TYR A 32 7.650 4.926 -9.314 1.00 0.00 O ATOM 0 H TYR A 32 5.291 -0.740 -4.047 1.00 0.00 H new ATOM 0 HA TYR A 32 3.908 0.317 -6.409 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.859 2.273 -5.145 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.434 1.978 -4.434 1.00 0.00 H new ATOM 0 HD1 TYR A 32 4.485 1.866 -8.110 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.533 4.008 -5.004 1.00 0.00 H new ATOM 0 HE1 TYR A 32 5.701 3.193 -9.820 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.782 5.310 -6.700 1.00 0.00 H new ATOM 0 HH TYR A 32 8.283 5.524 -8.865 1.00 0.00 H new ATOM 479 N ASP A 33 6.017 -0.449 -7.568 1.00 0.00 N ATOM 480 CA ASP A 33 7.133 -0.948 -8.360 1.00 0.00 C ATOM 481 C ASP A 33 7.848 -2.138 -7.698 1.00 0.00 C ATOM 482 O ASP A 33 9.073 -2.217 -7.705 1.00 0.00 O ATOM 483 CB ASP A 33 8.002 0.265 -8.780 1.00 0.00 C ATOM 484 CG ASP A 33 8.034 0.503 -10.294 1.00 0.00 C ATOM 485 OD1 ASP A 33 6.982 0.376 -10.973 1.00 0.00 O ATOM 486 OD2 ASP A 33 9.059 1.004 -10.806 1.00 0.00 O ATOM 0 H ASP A 33 5.170 -0.345 -8.127 1.00 0.00 H new ATOM 0 HA ASP A 33 6.792 -1.411 -9.286 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.623 1.161 -8.288 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.021 0.112 -8.423 1.00 0.00 H new ATOM 491 N ASP A 34 7.054 -3.075 -7.147 1.00 0.00 N ATOM 492 CA ASP A 34 7.473 -4.311 -6.448 1.00 0.00 C ATOM 493 C ASP A 34 8.233 -4.027 -5.160 1.00 0.00 C ATOM 494 O ASP A 34 9.187 -4.711 -4.772 1.00 0.00 O ATOM 495 CB ASP A 34 8.311 -5.192 -7.361 1.00 0.00 C ATOM 496 CG ASP A 34 8.458 -6.651 -6.900 1.00 0.00 C ATOM 497 OD1 ASP A 34 7.831 -7.081 -5.901 1.00 0.00 O ATOM 498 OD2 ASP A 34 9.195 -7.375 -7.616 1.00 0.00 O ATOM 0 H ASP A 34 6.038 -2.986 -7.178 1.00 0.00 H new ATOM 0 HA ASP A 34 6.558 -4.838 -6.178 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.867 -5.184 -8.356 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.305 -4.754 -7.452 1.00 0.00 H new ATOM 503 N GLN A 35 7.844 -2.942 -4.504 1.00 0.00 N ATOM 504 CA GLN A 35 8.467 -2.532 -3.270 1.00 0.00 C ATOM 505 C GLN A 35 7.368 -2.328 -2.282 1.00 0.00 C ATOM 506 O GLN A 35 6.283 -1.879 -2.630 1.00 0.00 O ATOM 507 CB GLN A 35 9.297 -1.275 -3.387 1.00 0.00 C ATOM 508 CG GLN A 35 10.245 -1.195 -4.575 1.00 0.00 C ATOM 509 CD GLN A 35 11.271 -2.299 -4.857 1.00 0.00 C ATOM 510 OE1 GLN A 35 11.840 -2.358 -5.943 1.00 0.00 O ATOM 511 NE2 GLN A 35 11.678 -3.105 -3.892 1.00 0.00 N ATOM 0 H GLN A 35 7.091 -2.329 -4.817 1.00 0.00 H new ATOM 0 HA GLN A 35 9.169 -3.307 -2.963 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.620 -0.422 -3.433 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.884 -1.167 -2.475 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.627 -1.102 -5.468 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.802 -0.263 -4.474 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.224 -3.078 -2.979 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.447 -3.754 -4.060 1.00 0.00 H new ATOM 520 N LEU A 36 7.703 -2.632 -1.047 1.00 0.00 N ATOM 521 CA LEU A 36 6.803 -2.585 0.082 1.00 0.00 C ATOM 522 C LEU A 36 7.205 -1.479 1.025 1.00 0.00 C ATOM 523 O LEU A 36 8.331 -1.486 1.539 1.00 0.00 O ATOM 524 CB LEU A 36 6.864 -3.967 0.732 1.00 0.00 C ATOM 525 CG LEU A 36 5.701 -4.343 1.649 1.00 0.00 C ATOM 526 CD1 LEU A 36 4.340 -4.332 0.951 1.00 0.00 C ATOM 527 CD2 LEU A 36 6.002 -5.759 2.126 1.00 0.00 C ATOM 0 H LEU A 36 8.645 -2.930 -0.793 1.00 0.00 H new ATOM 0 HA LEU A 36 5.778 -2.361 -0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.929 -4.713 -0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.787 -4.032 1.308 1.00 0.00 H new ATOM 0 HG LEU A 36 5.627 -3.612 2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.563 -4.609 1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.138 -3.333 0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.348 -5.046 0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.207 -6.096 2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.064 -6.427 1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.951 -5.768 2.662 1.00 0.00 H new ATOM 539 N TYR A 37 6.284 -0.540 1.241 1.00 0.00 N ATOM 540 CA TYR A 37 6.518 0.594 2.117 1.00 0.00 C ATOM 541 C TYR A 37 5.540 0.575 3.294 1.00 0.00 C ATOM 542 O TYR A 37 4.355 0.313 3.085 1.00 0.00 O ATOM 543 CB TYR A 37 6.360 1.933 1.377 1.00 0.00 C ATOM 544 CG TYR A 37 6.880 2.050 -0.044 1.00 0.00 C ATOM 545 CD1 TYR A 37 8.186 1.644 -0.378 1.00 0.00 C ATOM 546 CD2 TYR A 37 6.083 2.695 -1.009 1.00 0.00 C ATOM 547 CE1 TYR A 37 8.704 1.894 -1.663 1.00 0.00 C ATOM 548 CE2 TYR A 37 6.607 2.970 -2.283 1.00 0.00 C ATOM 549 CZ TYR A 37 7.923 2.574 -2.618 1.00 0.00 C ATOM 550 OH TYR A 37 8.450 2.908 -3.829 1.00 0.00 O ATOM 0 H TYR A 37 5.359 -0.549 0.812 1.00 0.00 H new ATOM 0 HA TYR A 37 7.544 0.506 2.475 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.298 2.177 1.361 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.854 2.700 1.973 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.795 1.137 0.356 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.069 2.978 -0.770 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.701 1.564 -1.917 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.001 3.487 -3.012 1.00 0.00 H new ATOM 0 HH TYR A 37 7.752 2.858 -4.515 1.00 0.00 H new ATOM 560 N HIS A 38 6.004 0.848 4.516 1.00 0.00 N ATOM 561 CA HIS A 38 5.204 0.879 5.741 1.00 0.00 C ATOM 562 C HIS A 38 4.879 2.322 6.045 1.00 0.00 C ATOM 563 O HIS A 38 5.789 3.150 6.057 1.00 0.00 O ATOM 564 CB HIS A 38 5.974 0.303 6.946 1.00 0.00 C ATOM 565 CG HIS A 38 5.275 -0.793 7.711 1.00 0.00 C ATOM 566 ND1 HIS A 38 5.898 -1.793 8.427 1.00 0.00 N ATOM 567 CD2 HIS A 38 3.926 -0.958 7.873 1.00 0.00 C ATOM 568 CE1 HIS A 38 4.943 -2.557 8.973 1.00 0.00 C ATOM 569 NE2 HIS A 38 3.725 -2.074 8.686 1.00 0.00 N ATOM 0 H HIS A 38 6.987 1.062 4.685 1.00 0.00 H new ATOM 0 HA HIS A 38 4.310 0.276 5.584 1.00 0.00 H new ATOM 0 HB2 HIS A 38 6.931 -0.081 6.592 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.193 1.118 7.636 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.154 -0.335 7.447 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.128 -3.442 9.564 1.00 0.00 H new ATOM 0 HE2 HIS A 38 2.830 -2.448 9.000 1.00 0.00 H new ATOM 577 N LEU A 39 3.605 2.631 6.244 1.00 0.00 N ATOM 578 CA LEU A 39 3.165 3.978 6.564 1.00 0.00 C ATOM 579 C LEU A 39 3.557 4.277 8.008 1.00 0.00 C ATOM 580 O LEU A 39 3.484 3.395 8.873 1.00 0.00 O ATOM 581 CB LEU A 39 1.649 4.089 6.398 1.00 0.00 C ATOM 582 CG LEU A 39 1.145 3.702 5.000 1.00 0.00 C ATOM 583 CD1 LEU A 39 -0.361 3.888 4.996 1.00 0.00 C ATOM 584 CD2 LEU A 39 1.788 4.501 3.867 1.00 0.00 C ATOM 0 H LEU A 39 2.847 1.951 6.187 1.00 0.00 H new ATOM 0 HA LEU A 39 3.635 4.695 5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.165 3.451 7.137 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.344 5.113 6.613 1.00 0.00 H new ATOM 0 HG LEU A 39 1.426 2.666 4.808 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.758 3.622 4.016 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.809 3.247 5.755 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.600 4.929 5.214 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.381 4.170 2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.576 5.561 4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.866 4.342 3.876 1.00 0.00 H new ATOM 596 N LYS A 40 3.946 5.525 8.272 1.00 0.00 N ATOM 597 CA LYS A 40 4.370 5.979 9.593 1.00 0.00 C ATOM 598 C LYS A 40 3.460 7.072 10.135 1.00 0.00 C ATOM 599 O LYS A 40 2.908 6.941 11.227 1.00 0.00 O ATOM 600 CB LYS A 40 5.821 6.488 9.545 1.00 0.00 C ATOM 601 CG LYS A 40 6.827 5.621 8.774 1.00 0.00 C ATOM 602 CD LYS A 40 6.933 4.131 9.147 1.00 0.00 C ATOM 603 CE LYS A 40 7.971 3.829 10.229 1.00 0.00 C ATOM 604 NZ LYS A 40 7.488 3.978 11.614 1.00 0.00 N ATOM 0 H LYS A 40 3.975 6.258 7.563 1.00 0.00 H new ATOM 0 HA LYS A 40 4.306 5.123 10.265 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.819 7.484 9.101 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.178 6.596 10.569 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.578 5.683 7.715 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.814 6.067 8.896 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.958 3.783 9.487 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.181 3.560 8.252 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.329 2.809 10.093 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.826 4.489 10.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.258 3.753 12.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.173 4.957 11.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.692 3.329 11.776 1.00 0.00 H new ATOM 618 N GLU A 41 3.324 8.170 9.398 1.00 0.00 N ATOM 619 CA GLU A 41 2.504 9.314 9.812 1.00 0.00 C ATOM 620 C GLU A 41 1.974 10.112 8.625 1.00 0.00 C ATOM 621 O GLU A 41 2.386 9.883 7.489 1.00 0.00 O ATOM 622 CB GLU A 41 3.369 10.226 10.696 1.00 0.00 C ATOM 623 CG GLU A 41 4.564 10.833 9.926 1.00 0.00 C ATOM 624 CD GLU A 41 5.869 10.867 10.717 1.00 0.00 C ATOM 625 OE1 GLU A 41 5.884 11.038 11.962 1.00 0.00 O ATOM 626 OE2 GLU A 41 6.934 10.682 10.082 1.00 0.00 O ATOM 0 H GLU A 41 3.779 8.296 8.494 1.00 0.00 H new ATOM 0 HA GLU A 41 1.637 8.937 10.355 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.752 11.030 11.096 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.741 9.656 11.547 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.721 10.260 9.012 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.309 11.849 9.625 1.00 0.00 H new ATOM 633 N LYS A 42 1.049 11.040 8.885 1.00 0.00 N ATOM 634 CA LYS A 42 0.451 11.911 7.872 1.00 0.00 C ATOM 635 C LYS A 42 1.329 13.165 7.790 1.00 0.00 C ATOM 636 O LYS A 42 1.880 13.590 8.809 1.00 0.00 O ATOM 637 CB LYS A 42 -1.023 12.193 8.241 1.00 0.00 C ATOM 638 CG LYS A 42 -1.968 12.441 7.052 1.00 0.00 C ATOM 639 CD LYS A 42 -1.949 13.871 6.496 1.00 0.00 C ATOM 640 CE LYS A 42 -3.075 14.751 7.052 1.00 0.00 C ATOM 641 NZ LYS A 42 -3.582 15.711 6.050 1.00 0.00 N ATOM 0 H LYS A 42 0.689 11.209 9.824 1.00 0.00 H new ATOM 0 HA LYS A 42 0.420 11.454 6.883 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.404 11.348 8.815 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.055 13.064 8.896 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.706 11.752 6.249 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.986 12.200 7.360 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.989 14.331 6.728 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.030 13.833 5.410 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.894 14.117 7.392 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.711 15.296 7.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.105 16.470 6.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.783 16.120 5.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.216 15.219 5.388 1.00 0.00 H new ATOM 655 N VAL A 43 1.470 13.749 6.605 1.00 0.00 N ATOM 656 CA VAL A 43 2.269 14.942 6.333 1.00 0.00 C ATOM 657 C VAL A 43 1.456 15.956 5.528 1.00 0.00 C ATOM 658 O VAL A 43 0.290 15.730 5.203 1.00 0.00 O ATOM 659 CB VAL A 43 3.569 14.535 5.612 1.00 0.00 C ATOM 660 CG1 VAL A 43 4.488 13.691 6.512 1.00 0.00 C ATOM 661 CG2 VAL A 43 3.338 13.783 4.302 1.00 0.00 C ATOM 0 H VAL A 43 1.010 13.388 5.769 1.00 0.00 H new ATOM 0 HA VAL A 43 2.542 15.426 7.271 1.00 0.00 H new ATOM 0 HB VAL A 43 4.053 15.482 5.374 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.392 13.427 5.963 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.757 14.266 7.398 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.967 12.782 6.813 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.299 13.530 3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.779 12.869 4.501 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.771 14.413 3.616 1.00 0.00 H new ATOM 671 N ASP A 44 2.032 17.125 5.272 1.00 0.00 N ATOM 672 CA ASP A 44 1.388 18.175 4.490 1.00 0.00 C ATOM 673 C ASP A 44 1.872 18.065 3.048 1.00 0.00 C ATOM 674 O ASP A 44 2.842 17.352 2.769 1.00 0.00 O ATOM 675 CB ASP A 44 1.736 19.559 5.064 1.00 0.00 C ATOM 676 CG ASP A 44 0.637 20.565 4.751 1.00 0.00 C ATOM 677 OD1 ASP A 44 -0.551 20.220 4.964 1.00 0.00 O ATOM 678 OD2 ASP A 44 0.954 21.663 4.250 1.00 0.00 O ATOM 0 H ASP A 44 2.964 17.373 5.603 1.00 0.00 H new ATOM 0 HA ASP A 44 0.305 18.056 4.530 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.873 19.487 6.143 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.681 19.904 4.646 1.00 0.00 H new ATOM 683 N GLU A 45 1.233 18.749 2.101 1.00 0.00 N ATOM 684 CA GLU A 45 1.699 18.683 0.718 1.00 0.00 C ATOM 685 C GLU A 45 3.014 19.455 0.579 1.00 0.00 C ATOM 686 O GLU A 45 3.748 19.276 -0.380 1.00 0.00 O ATOM 687 CB GLU A 45 0.658 19.205 -0.281 1.00 0.00 C ATOM 688 CG GLU A 45 0.472 20.724 -0.401 1.00 0.00 C ATOM 689 CD GLU A 45 0.295 21.136 -1.873 1.00 0.00 C ATOM 690 OE1 GLU A 45 -0.615 20.614 -2.560 1.00 0.00 O ATOM 691 OE2 GLU A 45 1.163 21.866 -2.413 1.00 0.00 O ATOM 0 H GLU A 45 0.415 19.338 2.258 1.00 0.00 H new ATOM 0 HA GLU A 45 1.863 17.633 0.476 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.920 18.822 -1.267 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.306 18.771 -0.016 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.399 21.035 0.176 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.336 21.236 0.024 1.00 0.00 H new ATOM 698 N ASP A 46 3.344 20.319 1.533 1.00 0.00 N ATOM 699 CA ASP A 46 4.534 21.157 1.513 1.00 0.00 C ATOM 700 C ASP A 46 5.784 20.381 1.856 1.00 0.00 C ATOM 701 O ASP A 46 6.897 20.909 1.825 1.00 0.00 O ATOM 702 CB ASP A 46 4.300 22.349 2.441 1.00 0.00 C ATOM 703 CG ASP A 46 4.300 23.640 1.639 1.00 0.00 C ATOM 704 OD1 ASP A 46 3.315 23.934 0.922 1.00 0.00 O ATOM 705 OD2 ASP A 46 5.312 24.365 1.734 1.00 0.00 O ATOM 0 H ASP A 46 2.772 20.458 2.366 1.00 0.00 H new ATOM 0 HA ASP A 46 4.705 21.526 0.502 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.349 22.234 2.961 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.078 22.385 3.204 1.00 0.00 H new ATOM 710 N LYS A 47 5.587 19.109 2.195 1.00 0.00 N ATOM 711 CA LYS A 47 6.647 18.207 2.553 1.00 0.00 C ATOM 712 C LYS A 47 7.112 17.449 1.321 1.00 0.00 C ATOM 713 O LYS A 47 8.255 16.976 1.311 1.00 0.00 O ATOM 714 CB LYS A 47 6.188 17.272 3.684 1.00 0.00 C ATOM 715 CG LYS A 47 5.391 18.003 4.783 1.00 0.00 C ATOM 716 CD LYS A 47 6.050 19.288 5.299 1.00 0.00 C ATOM 717 CE LYS A 47 5.714 19.668 6.739 1.00 0.00 C ATOM 718 NZ LYS A 47 6.435 18.847 7.732 1.00 0.00 N ATOM 0 H LYS A 47 4.662 18.680 2.225 1.00 0.00 H new ATOM 0 HA LYS A 47 7.501 18.768 2.932 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.572 16.477 3.264 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.061 16.796 4.131 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.402 18.247 4.395 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.245 17.322 5.622 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.131 19.180 5.213 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.759 20.112 4.647 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.957 20.719 6.898 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.641 19.561 6.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.169 19.149 8.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.185 17.846 7.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.460 18.967 7.604 1.00 0.00 H new ATOM 732 N LYS A 48 6.281 17.341 0.274 1.00 0.00 N ATOM 733 CA LYS A 48 6.707 16.623 -0.914 1.00 0.00 C ATOM 734 C LYS A 48 7.890 17.314 -1.560 1.00 0.00 C ATOM 735 O LYS A 48 7.918 18.537 -1.670 1.00 0.00 O ATOM 736 CB LYS A 48 5.566 16.393 -1.910 1.00 0.00 C ATOM 737 CG LYS A 48 5.093 17.649 -2.661 1.00 0.00 C ATOM 738 CD LYS A 48 3.573 17.594 -2.838 1.00 0.00 C ATOM 739 CE LYS A 48 2.913 18.840 -3.428 1.00 0.00 C ATOM 740 NZ LYS A 48 3.467 20.131 -2.963 1.00 0.00 N ATOM 0 H LYS A 48 5.340 17.732 0.233 1.00 0.00 H new ATOM 0 HA LYS A 48 7.026 15.631 -0.594 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.887 15.651 -2.641 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.717 15.967 -1.375 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.373 18.545 -2.107 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.581 17.710 -3.634 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.334 16.745 -3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.122 17.397 -1.865 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.999 18.797 -4.514 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.849 18.814 -3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.719 20.854 -2.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.832 20.024 -1.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.240 20.424 -3.594 1.00 0.00 H new ATOM 754 N GLY A 49 8.867 16.530 -1.990 1.00 0.00 N ATOM 755 CA GLY A 49 10.037 17.068 -2.652 1.00 0.00 C ATOM 756 C GLY A 49 9.793 17.071 -4.152 1.00 0.00 C ATOM 757 O GLY A 49 10.070 18.058 -4.832 1.00 0.00 O ATOM 0 H GLY A 49 8.869 15.515 -1.890 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.238 18.080 -2.300 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.915 16.468 -2.414 1.00 0.00 H new ATOM 761 N LYS A 50 9.231 15.968 -4.662 1.00 0.00 N ATOM 762 CA LYS A 50 8.921 15.724 -6.065 1.00 0.00 C ATOM 763 C LYS A 50 8.119 14.428 -6.188 1.00 0.00 C ATOM 764 O LYS A 50 8.155 13.602 -5.272 1.00 0.00 O ATOM 765 CB LYS A 50 10.258 15.563 -6.825 1.00 0.00 C ATOM 766 CG LYS A 50 11.198 14.521 -6.167 1.00 0.00 C ATOM 767 CD LYS A 50 12.564 14.380 -6.837 1.00 0.00 C ATOM 768 CE LYS A 50 12.390 13.845 -8.250 1.00 0.00 C ATOM 769 NZ LYS A 50 13.674 13.676 -8.954 1.00 0.00 N ATOM 0 H LYS A 50 8.968 15.181 -4.068 1.00 0.00 H new ATOM 0 HA LYS A 50 8.339 16.549 -6.476 1.00 0.00 H new ATOM 0 HB2 LYS A 50 10.053 15.264 -7.853 1.00 0.00 H new ATOM 0 HB3 LYS A 50 10.765 16.527 -6.869 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.347 14.795 -5.123 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.703 13.550 -6.174 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.068 15.346 -6.863 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.196 13.706 -6.258 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.873 12.886 -8.210 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.756 14.526 -8.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 13.499 13.309 -9.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.158 14.594 -9.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.271 13.005 -8.430 1.00 0.00 H new ATOM 783 N VAL A 51 7.401 14.239 -7.291 1.00 0.00 N ATOM 784 CA VAL A 51 6.627 13.030 -7.576 1.00 0.00 C ATOM 785 C VAL A 51 7.628 12.026 -8.156 1.00 0.00 C ATOM 786 O VAL A 51 8.614 12.395 -8.813 1.00 0.00 O ATOM 787 CB VAL A 51 5.469 13.370 -8.544 1.00 0.00 C ATOM 788 CG1 VAL A 51 4.909 12.174 -9.331 1.00 0.00 C ATOM 789 CG2 VAL A 51 4.313 14.035 -7.796 1.00 0.00 C ATOM 0 H VAL A 51 7.338 14.938 -8.031 1.00 0.00 H new ATOM 0 HA VAL A 51 6.153 12.604 -6.692 1.00 0.00 H new ATOM 0 HB VAL A 51 5.917 14.048 -9.270 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.102 12.512 -9.982 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.702 11.733 -9.935 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.525 11.428 -8.635 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.511 14.265 -8.497 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.940 13.359 -7.027 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.663 14.956 -7.330 1.00 0.00 H new ATOM 799 N ILE A 52 7.371 10.744 -7.908 1.00 0.00 N ATOM 800 CA ILE A 52 8.200 9.641 -8.387 1.00 0.00 C ATOM 801 C ILE A 52 7.337 8.559 -9.037 1.00 0.00 C ATOM 802 O ILE A 52 7.762 7.969 -10.028 1.00 0.00 O ATOM 803 CB ILE A 52 9.096 9.080 -7.259 1.00 0.00 C ATOM 804 CG1 ILE A 52 8.284 8.627 -6.024 1.00 0.00 C ATOM 805 CG2 ILE A 52 10.168 10.119 -6.880 1.00 0.00 C ATOM 806 CD1 ILE A 52 9.118 7.871 -4.990 1.00 0.00 C ATOM 0 H ILE A 52 6.568 10.437 -7.359 1.00 0.00 H new ATOM 0 HA ILE A 52 8.871 10.024 -9.156 1.00 0.00 H new ATOM 0 HB ILE A 52 9.588 8.184 -7.638 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.839 9.502 -5.551 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.463 7.990 -6.353 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.797 9.719 -6.085 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.783 10.342 -7.752 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.683 11.032 -6.535 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.484 7.584 -4.151 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.542 6.977 -5.448 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.924 8.512 -4.633 1.00 0.00 H new ATOM 818 N GLY A 53 6.109 8.348 -8.560 1.00 0.00 N ATOM 819 CA GLY A 53 5.200 7.335 -9.092 1.00 0.00 C ATOM 820 C GLY A 53 3.793 7.623 -8.596 1.00 0.00 C ATOM 821 O GLY A 53 3.571 8.665 -7.980 1.00 0.00 O ATOM 0 H GLY A 53 5.715 8.882 -7.785 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.224 7.343 -10.182 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.515 6.342 -8.773 1.00 0.00 H new ATOM 825 N ALA A 54 2.826 6.766 -8.908 1.00 0.00 N ATOM 826 CA ALA A 54 1.443 6.893 -8.495 1.00 0.00 C ATOM 827 C ALA A 54 0.790 5.528 -8.302 1.00 0.00 C ATOM 828 O ALA A 54 0.941 4.654 -9.154 1.00 0.00 O ATOM 829 CB ALA A 54 0.654 7.675 -9.548 1.00 0.00 C ATOM 0 H ALA A 54 2.996 5.936 -9.476 1.00 0.00 H new ATOM 0 HA ALA A 54 1.431 7.423 -7.543 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.385 7.766 -9.231 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.087 8.669 -9.663 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.697 7.148 -10.501 1.00 0.00 H new ATOM 835 N ILE A 55 0.115 5.316 -7.167 1.00 0.00 N ATOM 836 CA ILE A 55 -0.576 4.056 -6.916 1.00 0.00 C ATOM 837 C ILE A 55 -1.884 4.146 -7.707 1.00 0.00 C ATOM 838 O ILE A 55 -2.143 3.302 -8.558 1.00 0.00 O ATOM 839 CB ILE A 55 -0.738 3.813 -5.401 1.00 0.00 C ATOM 840 CG1 ILE A 55 0.640 3.513 -4.777 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.719 2.678 -5.098 1.00 0.00 C ATOM 842 CD1 ILE A 55 0.574 3.328 -3.262 1.00 0.00 C ATOM 0 H ILE A 55 0.035 5.999 -6.414 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.020 3.180 -7.252 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.154 4.719 -4.960 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.051 2.612 -5.231 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.325 4.328 -5.010 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.799 2.545 -4.019 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.699 2.925 -5.507 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.359 1.755 -5.552 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.572 3.119 -2.877 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.190 4.238 -2.801 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.088 2.495 -3.026 1.00 0.00 H new ATOM 854 N GLY A 56 -2.708 5.162 -7.418 1.00 0.00 N ATOM 855 CA GLY A 56 -3.989 5.439 -8.072 1.00 0.00 C ATOM 856 C GLY A 56 -5.054 4.334 -8.050 1.00 0.00 C ATOM 857 O GLY A 56 -6.144 4.549 -8.577 1.00 0.00 O ATOM 0 H GLY A 56 -2.488 5.842 -6.690 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.418 6.327 -7.608 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.787 5.689 -9.113 1.00 0.00 H new ATOM 861 N GLN A 57 -4.810 3.176 -7.439 1.00 0.00 N ATOM 862 CA GLN A 57 -5.755 2.069 -7.390 1.00 0.00 C ATOM 863 C GLN A 57 -6.936 2.370 -6.460 1.00 0.00 C ATOM 864 O GLN A 57 -6.915 3.330 -5.685 1.00 0.00 O ATOM 865 CB GLN A 57 -5.024 0.770 -6.985 1.00 0.00 C ATOM 866 CG GLN A 57 -3.707 0.574 -7.757 1.00 0.00 C ATOM 867 CD GLN A 57 -3.195 -0.863 -7.782 1.00 0.00 C ATOM 868 OE1 GLN A 57 -3.870 -1.776 -8.244 1.00 0.00 O ATOM 869 NE2 GLN A 57 -1.977 -1.098 -7.326 1.00 0.00 N ATOM 0 H GLN A 57 -3.933 2.980 -6.956 1.00 0.00 H new ATOM 0 HA GLN A 57 -6.175 1.931 -8.386 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.815 0.792 -5.915 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.678 -0.083 -7.165 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.848 0.914 -8.783 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.942 1.211 -7.313 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.420 -0.334 -6.943 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.594 -2.043 -7.357 1.00 0.00 H new ATOM 878 N THR A 58 -7.987 1.554 -6.546 1.00 0.00 N ATOM 879 CA THR A 58 -9.185 1.680 -5.720 1.00 0.00 C ATOM 880 C THR A 58 -9.750 0.288 -5.451 1.00 0.00 C ATOM 881 O THR A 58 -9.954 -0.484 -6.393 1.00 0.00 O ATOM 882 CB THR A 58 -10.265 2.564 -6.367 1.00 0.00 C ATOM 883 OG1 THR A 58 -9.749 3.805 -6.815 1.00 0.00 O ATOM 884 CG2 THR A 58 -11.360 2.902 -5.346 1.00 0.00 C ATOM 0 H THR A 58 -8.029 0.775 -7.203 1.00 0.00 H new ATOM 0 HA THR A 58 -8.895 2.167 -4.789 1.00 0.00 H new ATOM 0 HB THR A 58 -10.652 1.992 -7.211 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.469 4.332 -7.220 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.117 3.528 -5.818 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.821 1.981 -4.989 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.920 3.437 -4.504 1.00 0.00 H new ATOM 892 N PHE A 59 -10.004 -0.036 -4.181 1.00 0.00 N ATOM 893 CA PHE A 59 -10.555 -1.322 -3.765 1.00 0.00 C ATOM 894 C PHE A 59 -11.534 -1.129 -2.593 1.00 0.00 C ATOM 895 O PHE A 59 -11.711 0.001 -2.124 1.00 0.00 O ATOM 896 CB PHE A 59 -9.419 -2.297 -3.437 1.00 0.00 C ATOM 897 CG PHE A 59 -8.397 -2.480 -4.541 1.00 0.00 C ATOM 898 CD1 PHE A 59 -8.746 -3.203 -5.696 1.00 0.00 C ATOM 899 CD2 PHE A 59 -7.098 -1.956 -4.415 1.00 0.00 C ATOM 900 CE1 PHE A 59 -7.806 -3.400 -6.717 1.00 0.00 C ATOM 901 CE2 PHE A 59 -6.149 -2.171 -5.426 1.00 0.00 C ATOM 902 CZ PHE A 59 -6.507 -2.883 -6.585 1.00 0.00 C ATOM 0 H PHE A 59 -9.829 0.600 -3.403 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.127 -1.761 -4.583 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -8.906 -1.946 -2.541 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.851 -3.268 -3.197 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -9.742 -3.608 -5.797 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.830 -1.386 -3.537 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.081 -3.949 -7.605 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.145 -1.790 -5.314 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.783 -3.032 -7.373 1.00 0.00 H new ATOM 912 N PHE A 60 -12.191 -2.201 -2.128 1.00 0.00 N ATOM 913 CA PHE A 60 -13.155 -2.157 -1.022 1.00 0.00 C ATOM 914 C PHE A 60 -13.077 -3.402 -0.130 1.00 0.00 C ATOM 915 O PHE A 60 -12.826 -4.497 -0.649 1.00 0.00 O ATOM 916 CB PHE A 60 -14.586 -2.097 -1.581 1.00 0.00 C ATOM 917 CG PHE A 60 -14.861 -0.999 -2.587 1.00 0.00 C ATOM 918 CD1 PHE A 60 -15.298 0.264 -2.156 1.00 0.00 C ATOM 919 CD2 PHE A 60 -14.691 -1.241 -3.961 1.00 0.00 C ATOM 920 CE1 PHE A 60 -15.549 1.285 -3.087 1.00 0.00 C ATOM 921 CE2 PHE A 60 -14.927 -0.219 -4.894 1.00 0.00 C ATOM 922 CZ PHE A 60 -15.355 1.048 -4.459 1.00 0.00 C ATOM 0 H PHE A 60 -12.065 -3.136 -2.516 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.909 -1.273 -0.433 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -14.813 -3.055 -2.048 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -15.276 -1.978 -0.746 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -15.442 0.451 -1.102 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -14.378 -2.217 -4.300 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -15.891 2.252 -2.749 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -14.780 -0.406 -5.947 1.00 0.00 H new ATOM 0 HZ PHE A 60 -15.534 1.836 -5.176 1.00 0.00 H new ATOM 932 N VAL A 61 -13.291 -3.276 1.187 1.00 0.00 N ATOM 933 CA VAL A 61 -13.282 -4.413 2.107 1.00 0.00 C ATOM 934 C VAL A 61 -14.498 -4.322 3.019 1.00 0.00 C ATOM 935 O VAL A 61 -15.178 -3.293 3.057 1.00 0.00 O ATOM 936 CB VAL A 61 -11.993 -4.576 2.928 1.00 0.00 C ATOM 937 CG1 VAL A 61 -10.797 -4.871 2.044 1.00 0.00 C ATOM 938 CG2 VAL A 61 -11.674 -3.379 3.813 1.00 0.00 C ATOM 0 H VAL A 61 -13.475 -2.381 1.641 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.324 -5.310 1.489 1.00 0.00 H new ATOM 0 HB VAL A 61 -12.188 -5.427 3.581 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.906 -4.979 2.662 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -10.971 -5.795 1.493 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -10.653 -4.051 1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.751 -3.568 4.361 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.553 -2.490 3.193 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.489 -3.221 4.519 1.00 0.00 H new ATOM 948 N ASP A 62 -14.801 -5.417 3.700 1.00 0.00 N ATOM 949 CA ASP A 62 -15.901 -5.533 4.639 1.00 0.00 C ATOM 950 C ASP A 62 -15.366 -5.324 6.053 1.00 0.00 C ATOM 951 O ASP A 62 -14.202 -4.958 6.251 1.00 0.00 O ATOM 952 CB ASP A 62 -16.660 -6.856 4.439 1.00 0.00 C ATOM 953 CG ASP A 62 -15.920 -8.119 4.877 1.00 0.00 C ATOM 954 OD1 ASP A 62 -14.734 -8.020 5.253 1.00 0.00 O ATOM 955 OD2 ASP A 62 -16.545 -9.205 4.836 1.00 0.00 O ATOM 0 H ASP A 62 -14.266 -6.280 3.609 1.00 0.00 H new ATOM 0 HA ASP A 62 -16.644 -4.756 4.459 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -17.601 -6.800 4.987 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -16.912 -6.953 3.383 1.00 0.00 H new ATOM 960 N GLY A 63 -16.231 -5.496 7.047 1.00 0.00 N ATOM 961 CA GLY A 63 -15.891 -5.346 8.449 1.00 0.00 C ATOM 962 C GLY A 63 -14.792 -6.308 8.876 1.00 0.00 C ATOM 963 O GLY A 63 -14.097 -5.989 9.839 1.00 0.00 O ATOM 0 H GLY A 63 -17.207 -5.749 6.893 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -15.569 -4.322 8.636 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -16.779 -5.517 9.058 1.00 0.00 H new ATOM 967 N ASP A 64 -14.618 -7.450 8.204 1.00 0.00 N ATOM 968 CA ASP A 64 -13.571 -8.419 8.560 1.00 0.00 C ATOM 969 C ASP A 64 -12.280 -8.133 7.788 1.00 0.00 C ATOM 970 O ASP A 64 -11.188 -8.400 8.285 1.00 0.00 O ATOM 971 CB ASP A 64 -14.050 -9.845 8.261 1.00 0.00 C ATOM 972 CG ASP A 64 -13.091 -10.930 8.768 1.00 0.00 C ATOM 973 OD1 ASP A 64 -12.653 -10.870 9.942 1.00 0.00 O ATOM 974 OD2 ASP A 64 -12.881 -11.922 8.031 1.00 0.00 O ATOM 0 H ASP A 64 -15.190 -7.729 7.407 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.366 -8.324 9.626 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -15.029 -9.994 8.717 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -14.179 -9.959 7.185 1.00 0.00 H new ATOM 979 N GLY A 65 -12.364 -7.414 6.669 1.00 0.00 N ATOM 980 CA GLY A 65 -11.229 -7.058 5.832 1.00 0.00 C ATOM 981 C GLY A 65 -11.103 -7.951 4.601 1.00 0.00 C ATOM 982 O GLY A 65 -9.992 -8.129 4.099 1.00 0.00 O ATOM 0 H GLY A 65 -13.250 -7.055 6.314 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.328 -6.020 5.514 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.314 -7.125 6.420 1.00 0.00 H new ATOM 986 N LYS A 66 -12.181 -8.596 4.146 1.00 0.00 N ATOM 987 CA LYS A 66 -12.144 -9.459 2.971 1.00 0.00 C ATOM 988 C LYS A 66 -12.269 -8.558 1.759 1.00 0.00 C ATOM 989 O LYS A 66 -13.036 -7.596 1.770 1.00 0.00 O ATOM 990 CB LYS A 66 -13.286 -10.494 3.001 1.00 0.00 C ATOM 991 CG LYS A 66 -12.855 -11.864 3.558 1.00 0.00 C ATOM 992 CD LYS A 66 -11.818 -12.630 2.711 1.00 0.00 C ATOM 993 CE LYS A 66 -12.263 -12.798 1.251 1.00 0.00 C ATOM 994 NZ LYS A 66 -11.335 -13.622 0.448 1.00 0.00 N ATOM 0 H LYS A 66 -13.100 -8.532 4.584 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.212 -10.024 2.943 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -14.104 -10.104 3.607 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -13.673 -10.626 1.991 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.445 -11.717 4.557 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.742 -12.488 3.666 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.867 -12.099 2.739 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.648 -13.612 3.151 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.253 -13.254 1.230 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.355 -11.814 0.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.691 -13.697 -0.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.395 -13.178 0.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.265 -14.572 0.865 1.00 0.00 H new ATOM 1008 N ARG A 67 -11.494 -8.848 0.716 1.00 0.00 N ATOM 1009 CA ARG A 67 -11.517 -8.079 -0.514 1.00 0.00 C ATOM 1010 C ARG A 67 -12.853 -8.348 -1.199 1.00 0.00 C ATOM 1011 O ARG A 67 -13.107 -9.496 -1.569 1.00 0.00 O ATOM 1012 CB ARG A 67 -10.321 -8.489 -1.407 1.00 0.00 C ATOM 1013 CG ARG A 67 -9.526 -7.285 -1.902 1.00 0.00 C ATOM 1014 CD ARG A 67 -10.346 -6.403 -2.848 1.00 0.00 C ATOM 1015 NE ARG A 67 -10.394 -6.934 -4.209 1.00 0.00 N ATOM 1016 CZ ARG A 67 -10.848 -6.238 -5.252 1.00 0.00 C ATOM 1017 NH1 ARG A 67 -11.917 -5.468 -5.093 1.00 0.00 N ATOM 1018 NH2 ARG A 67 -10.220 -6.267 -6.418 1.00 0.00 N ATOM 0 H ARG A 67 -10.833 -9.625 0.706 1.00 0.00 H new ATOM 0 HA ARG A 67 -11.421 -7.011 -0.318 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.661 -9.151 -0.845 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.687 -9.056 -2.263 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.197 -6.692 -1.048 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.628 -7.630 -2.415 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.361 -6.308 -2.463 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.918 -5.401 -2.868 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.063 -7.886 -4.369 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.377 -5.416 -4.184 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -12.278 -4.928 -5.880 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.375 -6.828 -6.528 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.581 -5.728 -7.205 1.00 0.00 H new ATOM 1032 N TRP A 68 -13.698 -7.326 -1.332 1.00 0.00 N ATOM 1033 CA TRP A 68 -14.986 -7.479 -1.995 1.00 0.00 C ATOM 1034 C TRP A 68 -14.723 -7.789 -3.460 1.00 0.00 C ATOM 1035 O TRP A 68 -13.869 -7.128 -4.060 1.00 0.00 O ATOM 1036 CB TRP A 68 -15.790 -6.178 -1.959 1.00 0.00 C ATOM 1037 CG TRP A 68 -16.653 -5.911 -0.772 1.00 0.00 C ATOM 1038 CD1 TRP A 68 -16.232 -5.579 0.463 1.00 0.00 C ATOM 1039 CD2 TRP A 68 -18.105 -6.003 -0.684 1.00 0.00 C ATOM 1040 NE1 TRP A 68 -17.323 -5.308 1.262 1.00 0.00 N ATOM 1041 CE2 TRP A 68 -18.508 -5.592 0.617 1.00 0.00 C ATOM 1042 CE3 TRP A 68 -19.121 -6.442 -1.560 1.00 0.00 C ATOM 1043 CZ2 TRP A 68 -19.854 -5.591 1.015 1.00 0.00 C ATOM 1044 CZ3 TRP A 68 -20.461 -6.519 -1.141 1.00 0.00 C ATOM 1045 CH2 TRP A 68 -20.834 -6.088 0.144 1.00 0.00 C ATOM 0 H TRP A 68 -13.511 -6.384 -0.988 1.00 0.00 H new ATOM 0 HA TRP A 68 -15.543 -8.266 -1.487 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -15.087 -5.350 -2.051 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -16.426 -6.156 -2.844 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -15.200 -5.532 0.779 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -17.261 -4.943 2.212 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -18.864 -6.724 -2.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -20.133 -5.210 1.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -21.210 -6.913 -1.812 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -21.866 -6.139 0.458 1.00 0.00 H new ATOM 1056 N SER A 69 -15.447 -8.745 -4.035 1.00 0.00 N ATOM 1057 CA SER A 69 -15.278 -9.092 -5.439 1.00 0.00 C ATOM 1058 C SER A 69 -16.230 -8.242 -6.278 1.00 0.00 C ATOM 1059 O SER A 69 -17.304 -7.876 -5.797 1.00 0.00 O ATOM 1060 CB SER A 69 -15.620 -10.566 -5.651 1.00 0.00 C ATOM 1061 OG SER A 69 -14.796 -11.414 -4.877 1.00 0.00 O ATOM 0 H SER A 69 -16.157 -9.293 -3.548 1.00 0.00 H new ATOM 0 HA SER A 69 -14.245 -8.910 -5.735 1.00 0.00 H new ATOM 0 HB2 SER A 69 -16.664 -10.738 -5.390 1.00 0.00 H new ATOM 0 HB3 SER A 69 -15.510 -10.816 -6.706 1.00 0.00 H new ATOM 0 HG SER A 69 -15.045 -12.348 -5.038 1.00 0.00 H new ATOM 1067 N GLU A 70 -15.901 -8.005 -7.552 1.00 0.00 N ATOM 1068 CA GLU A 70 -16.728 -7.226 -8.479 1.00 0.00 C ATOM 1069 C GLU A 70 -18.146 -7.801 -8.522 1.00 0.00 C ATOM 1070 O GLU A 70 -19.107 -7.052 -8.652 1.00 0.00 O ATOM 1071 CB GLU A 70 -16.145 -7.264 -9.895 1.00 0.00 C ATOM 1072 CG GLU A 70 -14.800 -6.541 -10.035 1.00 0.00 C ATOM 1073 CD GLU A 70 -14.250 -6.577 -11.463 1.00 0.00 C ATOM 1074 OE1 GLU A 70 -14.633 -7.464 -12.265 1.00 0.00 O ATOM 1075 OE2 GLU A 70 -13.461 -5.671 -11.820 1.00 0.00 O ATOM 0 H GLU A 70 -15.040 -8.354 -7.974 1.00 0.00 H new ATOM 0 HA GLU A 70 -16.748 -6.195 -8.125 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.020 -8.304 -10.198 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.861 -6.815 -10.584 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.917 -5.503 -9.722 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.076 -6.998 -9.361 1.00 0.00 H new ATOM 1082 N GLU A 71 -18.260 -9.124 -8.389 1.00 0.00 N ATOM 1083 CA GLU A 71 -19.477 -9.917 -8.378 1.00 0.00 C ATOM 1084 C GLU A 71 -20.421 -9.421 -7.284 1.00 0.00 C ATOM 1085 O GLU A 71 -21.574 -9.130 -7.559 1.00 0.00 O ATOM 1086 CB GLU A 71 -19.096 -11.374 -8.090 1.00 0.00 C ATOM 1087 CG GLU A 71 -18.054 -11.997 -9.035 1.00 0.00 C ATOM 1088 CD GLU A 71 -17.338 -13.171 -8.358 1.00 0.00 C ATOM 1089 OE1 GLU A 71 -17.944 -13.865 -7.508 1.00 0.00 O ATOM 1090 OE2 GLU A 71 -16.101 -13.290 -8.517 1.00 0.00 O ATOM 0 H GLU A 71 -17.432 -9.710 -8.278 1.00 0.00 H new ATOM 0 HA GLU A 71 -19.980 -9.831 -9.341 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -18.715 -11.435 -7.070 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -20.001 -11.980 -8.129 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -18.543 -12.340 -9.947 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -17.325 -11.242 -9.329 1.00 0.00 H new ATOM 1097 N GLU A 72 -19.944 -9.323 -6.040 1.00 0.00 N ATOM 1098 CA GLU A 72 -20.745 -8.871 -4.904 1.00 0.00 C ATOM 1099 C GLU A 72 -20.992 -7.364 -4.982 1.00 0.00 C ATOM 1100 O GLU A 72 -21.987 -6.854 -4.462 1.00 0.00 O ATOM 1101 CB GLU A 72 -20.024 -9.245 -3.597 1.00 0.00 C ATOM 1102 CG GLU A 72 -20.063 -10.771 -3.401 1.00 0.00 C ATOM 1103 CD GLU A 72 -19.625 -11.270 -2.018 1.00 0.00 C ATOM 1104 OE1 GLU A 72 -19.785 -10.582 -0.985 1.00 0.00 O ATOM 1105 OE2 GLU A 72 -19.132 -12.419 -1.947 1.00 0.00 O ATOM 0 H GLU A 72 -18.983 -9.558 -5.793 1.00 0.00 H new ATOM 0 HA GLU A 72 -21.717 -9.364 -4.928 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -18.991 -8.899 -3.629 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -20.501 -8.748 -2.752 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -21.079 -11.118 -3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -19.424 -11.233 -4.154 1.00 0.00 H new ATOM 1112 N LEU A 73 -20.092 -6.635 -5.644 1.00 0.00 N ATOM 1113 CA LEU A 73 -20.192 -5.194 -5.796 1.00 0.00 C ATOM 1114 C LEU A 73 -21.235 -4.806 -6.843 1.00 0.00 C ATOM 1115 O LEU A 73 -21.819 -3.728 -6.694 1.00 0.00 O ATOM 1116 CB LEU A 73 -18.817 -4.592 -6.134 1.00 0.00 C ATOM 1117 CG LEU A 73 -17.791 -4.726 -4.991 1.00 0.00 C ATOM 1118 CD1 LEU A 73 -16.387 -4.366 -5.481 1.00 0.00 C ATOM 1119 CD2 LEU A 73 -18.153 -3.845 -3.794 1.00 0.00 C ATOM 0 H LEU A 73 -19.268 -7.038 -6.091 1.00 0.00 H new ATOM 0 HA LEU A 73 -20.525 -4.781 -4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -18.423 -5.082 -7.025 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -18.941 -3.537 -6.379 1.00 0.00 H new ATOM 0 HG LEU A 73 -17.809 -5.767 -4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -15.678 -4.467 -4.659 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -16.101 -5.037 -6.291 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -16.380 -3.337 -5.842 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -17.405 -3.969 -3.011 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -18.182 -2.801 -4.106 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -19.131 -4.136 -3.411 1.00 0.00 H new ATOM 1131 N LYS A 74 -21.484 -5.609 -7.888 1.00 0.00 N ATOM 1132 CA LYS A 74 -22.470 -5.273 -8.909 1.00 0.00 C ATOM 1133 C LYS A 74 -23.897 -5.668 -8.496 1.00 0.00 C ATOM 1134 O LYS A 74 -24.832 -5.210 -9.160 1.00 0.00 O ATOM 1135 CB LYS A 74 -22.065 -5.911 -10.256 1.00 0.00 C ATOM 1136 CG LYS A 74 -22.049 -7.434 -10.142 1.00 0.00 C ATOM 1137 CD LYS A 74 -21.719 -8.228 -11.393 1.00 0.00 C ATOM 1138 CE LYS A 74 -20.243 -8.202 -11.818 1.00 0.00 C ATOM 1139 NZ LYS A 74 -19.922 -9.323 -12.736 1.00 0.00 N ATOM 0 H LYS A 74 -21.010 -6.499 -8.043 1.00 0.00 H new ATOM 0 HA LYS A 74 -22.482 -4.189 -9.025 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -22.764 -5.606 -11.035 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -21.080 -5.552 -10.554 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -21.328 -7.706 -9.371 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -23.029 -7.755 -9.789 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -22.016 -9.265 -11.234 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -22.323 -7.846 -12.216 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -20.021 -7.254 -12.308 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -19.608 -8.261 -10.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -18.918 -9.276 -13.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -20.111 -10.228 -12.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -20.512 -9.252 -13.590 1.00 0.00 H new ATOM 1321 N ARG A 86 -23.492 -6.497 4.036 1.00 0.00 N ATOM 1322 CA ARG A 86 -22.189 -6.295 4.677 1.00 0.00 C ATOM 1323 C ARG A 86 -21.703 -4.882 4.353 1.00 0.00 C ATOM 1324 O ARG A 86 -22.166 -4.269 3.379 1.00 0.00 O ATOM 1325 CB ARG A 86 -21.213 -7.403 4.229 1.00 0.00 C ATOM 1326 CG ARG A 86 -20.165 -7.785 5.280 1.00 0.00 C ATOM 1327 CD ARG A 86 -20.727 -8.425 6.561 1.00 0.00 C ATOM 1328 NE ARG A 86 -20.023 -9.671 6.907 1.00 0.00 N ATOM 1329 CZ ARG A 86 -20.314 -10.910 6.479 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -21.433 -11.165 5.812 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -19.466 -11.900 6.714 1.00 0.00 N ATOM 0 HA ARG A 86 -22.260 -6.374 5.762 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -21.787 -8.292 3.966 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -20.700 -7.075 3.325 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -19.456 -8.478 4.828 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -19.606 -6.890 5.555 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -20.642 -7.719 7.387 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -21.789 -8.633 6.427 1.00 0.00 H new ATOM 0 HE ARG A 86 -19.228 -9.584 7.540 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -22.092 -10.412 5.615 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -21.634 -12.114 5.496 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -18.598 -11.719 7.218 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -19.681 -12.843 6.391 1.00 0.00 H new ATOM 1345 N GLU A 87 -20.800 -4.331 5.164 1.00 0.00 N ATOM 1346 CA GLU A 87 -20.288 -2.986 4.926 1.00 0.00 C ATOM 1347 C GLU A 87 -19.267 -2.982 3.787 1.00 0.00 C ATOM 1348 O GLU A 87 -18.648 -3.999 3.478 1.00 0.00 O ATOM 1349 CB GLU A 87 -19.680 -2.373 6.193 1.00 0.00 C ATOM 1350 CG GLU A 87 -18.471 -3.132 6.736 1.00 0.00 C ATOM 1351 CD GLU A 87 -18.884 -4.172 7.770 1.00 0.00 C ATOM 1352 OE1 GLU A 87 -18.902 -3.796 8.961 1.00 0.00 O ATOM 1353 OE2 GLU A 87 -19.080 -5.345 7.381 1.00 0.00 O ATOM 0 H GLU A 87 -20.411 -4.793 5.986 1.00 0.00 H new ATOM 0 HA GLU A 87 -21.137 -2.367 4.634 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -19.385 -1.345 5.981 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -20.446 -2.331 6.967 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -17.948 -3.622 5.914 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -17.770 -2.429 7.186 1.00 0.00 H new ATOM 1360 N LYS A 88 -19.021 -1.806 3.215 1.00 0.00 N ATOM 1361 CA LYS A 88 -18.084 -1.595 2.121 1.00 0.00 C ATOM 1362 C LYS A 88 -17.212 -0.396 2.472 1.00 0.00 C ATOM 1363 O LYS A 88 -17.686 0.739 2.402 1.00 0.00 O ATOM 1364 CB LYS A 88 -18.887 -1.402 0.818 1.00 0.00 C ATOM 1365 CG LYS A 88 -18.008 -1.159 -0.416 1.00 0.00 C ATOM 1366 CD LYS A 88 -18.640 -0.206 -1.445 1.00 0.00 C ATOM 1367 CE LYS A 88 -19.723 -0.820 -2.331 1.00 0.00 C ATOM 1368 NZ LYS A 88 -21.027 -1.004 -1.663 1.00 0.00 N ATOM 0 H LYS A 88 -19.485 -0.947 3.512 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.425 -2.450 1.968 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -19.503 -2.285 0.647 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -19.566 -0.559 0.941 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -17.050 -0.750 -0.094 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -17.801 -2.115 -0.898 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -19.069 0.643 -0.913 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -17.850 0.185 -2.085 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -19.863 -0.185 -3.205 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -19.374 -1.787 -2.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -21.726 -1.345 -2.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -20.929 -1.700 -0.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -21.346 -0.096 -1.267 1.00 0.00 H new ATOM 1382 N LYS A 89 -15.966 -0.629 2.878 1.00 0.00 N ATOM 1383 CA LYS A 89 -14.986 0.386 3.247 1.00 0.00 C ATOM 1384 C LYS A 89 -14.155 0.718 2.002 1.00 0.00 C ATOM 1385 O LYS A 89 -13.353 -0.127 1.600 1.00 0.00 O ATOM 1386 CB LYS A 89 -14.057 -0.137 4.364 1.00 0.00 C ATOM 1387 CG LYS A 89 -14.775 -0.717 5.592 1.00 0.00 C ATOM 1388 CD LYS A 89 -13.742 -1.161 6.637 1.00 0.00 C ATOM 1389 CE LYS A 89 -14.423 -2.005 7.711 1.00 0.00 C ATOM 1390 NZ LYS A 89 -13.569 -2.200 8.908 1.00 0.00 N ATOM 0 H LYS A 89 -15.596 -1.576 2.962 1.00 0.00 H new ATOM 0 HA LYS A 89 -15.498 1.274 3.618 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.408 -0.906 3.945 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.413 0.679 4.691 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -15.442 0.031 6.021 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.394 -1.564 5.296 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.950 -1.736 6.157 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.272 -0.288 7.091 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.355 -1.525 8.008 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.684 -2.977 7.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.077 -2.779 9.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.690 -2.682 8.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.340 -1.275 9.326 1.00 0.00 H new ATOM 1404 N PRO A 90 -14.350 1.868 1.339 1.00 0.00 N ATOM 1405 CA PRO A 90 -13.580 2.251 0.161 1.00 0.00 C ATOM 1406 C PRO A 90 -12.128 2.562 0.526 1.00 0.00 C ATOM 1407 O PRO A 90 -11.849 3.237 1.520 1.00 0.00 O ATOM 1408 CB PRO A 90 -14.283 3.497 -0.392 1.00 0.00 C ATOM 1409 CG PRO A 90 -14.942 4.118 0.833 1.00 0.00 C ATOM 1410 CD PRO A 90 -15.279 2.919 1.705 1.00 0.00 C ATOM 0 HA PRO A 90 -13.541 1.446 -0.572 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -13.574 4.183 -0.856 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -15.019 3.236 -1.153 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -14.270 4.808 1.343 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -15.835 4.682 0.565 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -15.184 3.169 2.762 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -16.309 2.600 1.544 1.00 0.00 H new ATOM 1418 N LEU A 91 -11.201 2.136 -0.329 1.00 0.00 N ATOM 1419 CA LEU A 91 -9.763 2.323 -0.192 1.00 0.00 C ATOM 1420 C LEU A 91 -9.338 2.996 -1.492 1.00 0.00 C ATOM 1421 O LEU A 91 -9.197 2.324 -2.512 1.00 0.00 O ATOM 1422 CB LEU A 91 -9.058 0.964 0.012 1.00 0.00 C ATOM 1423 CG LEU A 91 -9.622 0.072 1.136 1.00 0.00 C ATOM 1424 CD1 LEU A 91 -8.928 -1.285 1.059 1.00 0.00 C ATOM 1425 CD2 LEU A 91 -9.448 0.651 2.543 1.00 0.00 C ATOM 0 H LEU A 91 -11.447 1.626 -1.177 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.495 2.926 0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.106 0.408 -0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.004 1.151 0.218 1.00 0.00 H new ATOM 0 HG LEU A 91 -10.697 -0.006 0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -9.311 -1.935 1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.123 -1.739 0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.854 -1.152 1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.871 -0.037 3.275 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.387 0.793 2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.962 1.610 2.608 1.00 0.00 H new ATOM 1437 N ARG A 92 -9.223 4.326 -1.496 1.00 0.00 N ATOM 1438 CA ARG A 92 -8.837 5.120 -2.659 1.00 0.00 C ATOM 1439 C ARG A 92 -7.381 5.521 -2.510 1.00 0.00 C ATOM 1440 O ARG A 92 -7.065 6.233 -1.555 1.00 0.00 O ATOM 1441 CB ARG A 92 -9.712 6.376 -2.725 1.00 0.00 C ATOM 1442 CG ARG A 92 -11.178 6.078 -3.062 1.00 0.00 C ATOM 1443 CD ARG A 92 -11.935 7.395 -3.244 1.00 0.00 C ATOM 1444 NE ARG A 92 -13.029 7.256 -4.214 1.00 0.00 N ATOM 1445 CZ ARG A 92 -13.053 7.781 -5.444 1.00 0.00 C ATOM 1446 NH1 ARG A 92 -12.322 8.844 -5.773 1.00 0.00 N ATOM 1447 NH2 ARG A 92 -13.856 7.242 -6.354 1.00 0.00 N ATOM 0 H ARG A 92 -9.401 4.893 -0.667 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.970 4.540 -3.573 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.665 6.894 -1.767 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.305 7.055 -3.475 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.239 5.482 -3.972 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.634 5.491 -2.265 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.337 7.721 -2.285 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.245 8.169 -3.580 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.841 6.712 -3.924 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.720 9.284 -5.077 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.364 9.219 -6.721 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -14.440 6.442 -6.109 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.889 7.628 -7.298 1.00 0.00 H new ATOM 1461 N TYR A 93 -6.517 5.075 -3.421 1.00 0.00 N ATOM 1462 CA TYR A 93 -5.096 5.385 -3.379 1.00 0.00 C ATOM 1463 C TYR A 93 -4.756 6.587 -4.256 1.00 0.00 C ATOM 1464 O TYR A 93 -5.367 6.850 -5.300 1.00 0.00 O ATOM 1465 CB TYR A 93 -4.258 4.148 -3.683 1.00 0.00 C ATOM 1466 CG TYR A 93 -4.413 3.026 -2.665 1.00 0.00 C ATOM 1467 CD1 TYR A 93 -5.443 2.070 -2.792 1.00 0.00 C ATOM 1468 CD2 TYR A 93 -3.552 2.972 -1.554 1.00 0.00 C ATOM 1469 CE1 TYR A 93 -5.646 1.101 -1.790 1.00 0.00 C ATOM 1470 CE2 TYR A 93 -3.748 2.006 -0.552 1.00 0.00 C ATOM 1471 CZ TYR A 93 -4.809 1.080 -0.650 1.00 0.00 C ATOM 1472 OH TYR A 93 -5.066 0.215 0.370 1.00 0.00 O ATOM 0 H TYR A 93 -6.788 4.487 -4.209 1.00 0.00 H new ATOM 0 HA TYR A 93 -4.838 5.685 -2.363 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.531 3.770 -4.668 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -3.208 4.437 -3.732 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.080 2.081 -3.664 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.737 3.676 -1.471 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.439 0.375 -1.892 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -3.083 1.972 0.298 1.00 0.00 H new ATOM 0 HH TYR A 93 -4.394 0.331 1.074 1.00 0.00 H new ATOM 1482 N GLY A 94 -3.734 7.290 -3.802 1.00 0.00 N ATOM 1483 CA GLY A 94 -3.064 8.472 -4.188 1.00 0.00 C ATOM 1484 C GLY A 94 -1.691 8.277 -4.810 1.00 0.00 C ATOM 1485 O GLY A 94 -1.206 7.154 -4.979 1.00 0.00 O ATOM 0 H GLY A 94 -3.275 6.936 -2.963 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.692 9.008 -4.899 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.958 9.111 -3.311 1.00 0.00 H new ATOM 1489 N LYS A 95 -1.197 9.348 -5.423 1.00 0.00 N ATOM 1490 CA LYS A 95 0.112 9.370 -6.061 1.00 0.00 C ATOM 1491 C LYS A 95 1.220 9.221 -4.992 1.00 0.00 C ATOM 1492 O LYS A 95 0.934 9.250 -3.796 1.00 0.00 O ATOM 1493 CB LYS A 95 0.192 10.722 -6.768 1.00 0.00 C ATOM 1494 CG LYS A 95 1.416 10.917 -7.666 1.00 0.00 C ATOM 1495 CD LYS A 95 1.182 12.131 -8.568 1.00 0.00 C ATOM 1496 CE LYS A 95 0.204 11.813 -9.704 1.00 0.00 C ATOM 1497 NZ LYS A 95 0.847 11.032 -10.777 1.00 0.00 N ATOM 0 H LYS A 95 -1.700 10.233 -5.491 1.00 0.00 H new ATOM 0 HA LYS A 95 0.250 8.551 -6.767 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.706 10.852 -7.372 1.00 0.00 H new ATOM 0 HB3 LYS A 95 0.185 11.509 -6.014 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.309 11.065 -7.059 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.586 10.026 -8.270 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.792 12.957 -7.973 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.132 12.461 -8.988 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.645 11.256 -9.308 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.189 12.742 -10.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.919 11.615 -11.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.799 10.744 -10.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.277 10.186 -10.980 1.00 0.00 H new ATOM 1511 N VAL A 96 2.483 9.030 -5.392 1.00 0.00 N ATOM 1512 CA VAL A 96 3.607 8.863 -4.470 1.00 0.00 C ATOM 1513 C VAL A 96 4.678 9.923 -4.757 1.00 0.00 C ATOM 1514 O VAL A 96 5.000 10.232 -5.914 1.00 0.00 O ATOM 1515 CB VAL A 96 4.124 7.409 -4.522 1.00 0.00 C ATOM 1516 CG1 VAL A 96 5.223 7.154 -3.484 1.00 0.00 C ATOM 1517 CG2 VAL A 96 3.005 6.396 -4.224 1.00 0.00 C ATOM 0 H VAL A 96 2.753 8.987 -6.375 1.00 0.00 H new ATOM 0 HA VAL A 96 3.287 9.028 -3.441 1.00 0.00 H new ATOM 0 HB VAL A 96 4.510 7.278 -5.533 1.00 0.00 H new ATOM 0 HG11 VAL A 96 5.558 6.119 -3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.064 7.821 -3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.830 7.340 -2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.408 5.384 -4.270 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.602 6.581 -3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.211 6.504 -4.962 1.00 0.00 H new ATOM 1527 N TYR A 97 5.258 10.467 -3.686 1.00 0.00 N ATOM 1528 CA TYR A 97 6.273 11.503 -3.703 1.00 0.00 C ATOM 1529 C TYR A 97 7.552 11.006 -3.000 1.00 0.00 C ATOM 1530 O TYR A 97 7.536 9.962 -2.349 1.00 0.00 O ATOM 1531 CB TYR A 97 5.669 12.772 -3.065 1.00 0.00 C ATOM 1532 CG TYR A 97 4.260 13.157 -3.486 1.00 0.00 C ATOM 1533 CD1 TYR A 97 3.142 12.578 -2.846 1.00 0.00 C ATOM 1534 CD2 TYR A 97 4.063 14.144 -4.464 1.00 0.00 C ATOM 1535 CE1 TYR A 97 1.837 12.959 -3.199 1.00 0.00 C ATOM 1536 CE2 TYR A 97 2.763 14.534 -4.828 1.00 0.00 C ATOM 1537 CZ TYR A 97 1.642 13.944 -4.197 1.00 0.00 C ATOM 1538 OH TYR A 97 0.382 14.336 -4.521 1.00 0.00 O ATOM 0 H TYR A 97 5.015 10.177 -2.739 1.00 0.00 H new ATOM 0 HA TYR A 97 6.575 11.751 -4.721 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.675 12.642 -1.983 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.329 13.610 -3.289 1.00 0.00 H new ATOM 0 HD1 TYR A 97 3.292 11.835 -2.077 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.915 14.606 -4.940 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.988 12.503 -2.712 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.619 15.285 -5.591 1.00 0.00 H new ATOM 0 HH TYR A 97 -0.134 14.489 -3.702 1.00 0.00 H new ATOM 1548 N SER A 98 8.669 11.717 -3.165 1.00 0.00 N ATOM 1549 CA SER A 98 9.979 11.414 -2.590 1.00 0.00 C ATOM 1550 C SER A 98 10.303 12.416 -1.503 1.00 0.00 C ATOM 1551 O SER A 98 10.056 13.619 -1.655 1.00 0.00 O ATOM 1552 CB SER A 98 11.052 11.501 -3.676 1.00 0.00 C ATOM 1553 OG SER A 98 12.388 11.519 -3.196 1.00 0.00 O ATOM 0 H SER A 98 8.684 12.564 -3.733 1.00 0.00 H new ATOM 0 HA SER A 98 9.957 10.408 -2.172 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.935 10.653 -4.351 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.881 12.402 -4.264 1.00 0.00 H new ATOM 0 HG SER A 98 13.007 11.574 -3.954 1.00 0.00 H new ATOM 1559 N THR A 99 10.822 11.919 -0.389 1.00 0.00 N ATOM 1560 CA THR A 99 11.218 12.753 0.738 1.00 0.00 C ATOM 1561 C THR A 99 12.392 13.647 0.295 1.00 0.00 C ATOM 1562 O THR A 99 12.929 13.475 -0.809 1.00 0.00 O ATOM 1563 CB THR A 99 11.559 11.849 1.943 1.00 0.00 C ATOM 1564 OG1 THR A 99 12.281 10.706 1.534 1.00 0.00 O ATOM 1565 CG2 THR A 99 10.287 11.325 2.624 1.00 0.00 C ATOM 0 H THR A 99 10.981 10.922 -0.241 1.00 0.00 H new ATOM 0 HA THR A 99 10.409 13.410 1.058 1.00 0.00 H new ATOM 0 HB THR A 99 12.145 12.465 2.625 1.00 0.00 H new ATOM 0 HG1 THR A 99 12.623 10.235 2.323 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.561 10.692 3.468 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.692 12.166 2.979 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.704 10.744 1.909 1.00 0.00 H new ATOM 1669 N ASP A 107 14.831 5.336 0.230 1.00 0.00 N ATOM 1670 CA ASP A 107 14.434 4.381 1.270 1.00 0.00 C ATOM 1671 C ASP A 107 13.188 4.912 1.977 1.00 0.00 C ATOM 1672 O ASP A 107 12.461 4.147 2.598 1.00 0.00 O ATOM 1673 CB ASP A 107 15.553 4.025 2.253 1.00 0.00 C ATOM 1674 CG ASP A 107 15.876 5.155 3.219 1.00 0.00 C ATOM 1675 OD1 ASP A 107 16.577 6.080 2.757 1.00 0.00 O ATOM 1676 OD2 ASP A 107 15.425 5.106 4.384 1.00 0.00 O ATOM 0 HA ASP A 107 14.204 3.434 0.781 1.00 0.00 H new ATOM 0 HB2 ASP A 107 15.263 3.141 2.821 1.00 0.00 H new ATOM 0 HB3 ASP A 107 16.451 3.764 1.694 1.00 0.00 H new ATOM 1681 N GLU A 108 12.848 6.187 1.807 1.00 0.00 N ATOM 1682 CA GLU A 108 11.671 6.823 2.379 1.00 0.00 C ATOM 1683 C GLU A 108 10.957 7.519 1.222 1.00 0.00 C ATOM 1684 O GLU A 108 11.591 8.053 0.303 1.00 0.00 O ATOM 1685 CB GLU A 108 12.068 7.786 3.502 1.00 0.00 C ATOM 1686 CG GLU A 108 12.114 7.077 4.866 1.00 0.00 C ATOM 1687 CD GLU A 108 12.456 8.047 5.999 1.00 0.00 C ATOM 1688 OE1 GLU A 108 11.687 9.016 6.207 1.00 0.00 O ATOM 1689 OE2 GLU A 108 13.396 7.766 6.781 1.00 0.00 O ATOM 0 H GLU A 108 13.408 6.828 1.245 1.00 0.00 H new ATOM 0 HA GLU A 108 11.001 6.101 2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 108 13.044 8.218 3.283 1.00 0.00 H new ATOM 0 HB3 GLU A 108 11.356 8.610 3.544 1.00 0.00 H new ATOM 0 HG2 GLU A 108 11.149 6.610 5.066 1.00 0.00 H new ATOM 0 HG3 GLU A 108 12.855 6.278 4.836 1.00 0.00 H new ATOM 1696 N ILE A 109 9.629 7.502 1.260 1.00 0.00 N ATOM 1697 CA ILE A 109 8.729 8.084 0.260 1.00 0.00 C ATOM 1698 C ILE A 109 7.442 8.550 0.951 1.00 0.00 C ATOM 1699 O ILE A 109 7.215 8.242 2.119 1.00 0.00 O ATOM 1700 CB ILE A 109 8.400 7.029 -0.832 1.00 0.00 C ATOM 1701 CG1 ILE A 109 7.805 5.725 -0.256 1.00 0.00 C ATOM 1702 CG2 ILE A 109 9.595 6.695 -1.730 1.00 0.00 C ATOM 1703 CD1 ILE A 109 6.288 5.736 -0.349 1.00 0.00 C ATOM 0 H ILE A 109 9.121 7.060 2.027 1.00 0.00 H new ATOM 0 HA ILE A 109 9.212 8.938 -0.215 1.00 0.00 H new ATOM 0 HB ILE A 109 7.639 7.510 -1.446 1.00 0.00 H new ATOM 0 HG12 ILE A 109 8.201 4.868 -0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 109 8.109 5.610 0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 109 9.297 5.952 -2.470 1.00 0.00 H new ATOM 0 HG22 ILE A 109 9.932 7.599 -2.238 1.00 0.00 H new ATOM 0 HG23 ILE A 109 10.407 6.296 -1.122 1.00 0.00 H new ATOM 0 HD11 ILE A 109 5.892 4.808 0.063 1.00 0.00 H new ATOM 0 HD12 ILE A 109 5.895 6.581 0.217 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.988 5.827 -1.393 1.00 0.00 H new ATOM 1715 N ILE A 110 6.547 9.243 0.241 1.00 0.00 N ATOM 1716 CA ILE A 110 5.281 9.716 0.782 1.00 0.00 C ATOM 1717 C ILE A 110 4.157 9.201 -0.115 1.00 0.00 C ATOM 1718 O ILE A 110 4.082 9.561 -1.287 1.00 0.00 O ATOM 1719 CB ILE A 110 5.293 11.246 0.924 1.00 0.00 C ATOM 1720 CG1 ILE A 110 6.636 11.685 1.547 1.00 0.00 C ATOM 1721 CG2 ILE A 110 4.089 11.695 1.761 1.00 0.00 C ATOM 1722 CD1 ILE A 110 6.719 13.158 1.890 1.00 0.00 C ATOM 0 H ILE A 110 6.689 9.492 -0.738 1.00 0.00 H new ATOM 0 HA ILE A 110 5.117 9.329 1.788 1.00 0.00 H new ATOM 0 HB ILE A 110 5.205 11.723 -0.052 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.809 11.104 2.453 1.00 0.00 H new ATOM 0 HG13 ILE A 110 7.441 11.441 0.853 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.099 12.780 1.860 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.167 11.385 1.269 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.143 11.240 2.750 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.696 13.377 2.322 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.581 13.751 0.986 1.00 0.00 H new ATOM 0 HD13 ILE A 110 5.940 13.408 2.610 1.00 0.00 H new ATOM 1734 N VAL A 111 3.337 8.300 0.412 1.00 0.00 N ATOM 1735 CA VAL A 111 2.192 7.676 -0.238 1.00 0.00 C ATOM 1736 C VAL A 111 0.948 8.500 0.044 1.00 0.00 C ATOM 1737 O VAL A 111 0.724 8.909 1.174 1.00 0.00 O ATOM 1738 CB VAL A 111 1.921 6.295 0.402 1.00 0.00 C ATOM 1739 CG1 VAL A 111 0.722 5.549 -0.216 1.00 0.00 C ATOM 1740 CG2 VAL A 111 3.152 5.393 0.390 1.00 0.00 C ATOM 0 H VAL A 111 3.463 7.964 1.367 1.00 0.00 H new ATOM 0 HA VAL A 111 2.405 7.597 -1.304 1.00 0.00 H new ATOM 0 HB VAL A 111 1.664 6.523 1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.594 4.589 0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.181 6.146 -0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.904 5.384 -1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.907 4.436 0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.472 5.228 -0.639 1.00 0.00 H new ATOM 0 HG23 VAL A 111 3.957 5.869 0.949 1.00 0.00 H new ATOM 1750 N GLU A 112 0.112 8.749 -0.948 1.00 0.00 N ATOM 1751 CA GLU A 112 -1.127 9.468 -0.727 1.00 0.00 C ATOM 1752 C GLU A 112 -2.246 8.418 -0.619 1.00 0.00 C ATOM 1753 O GLU A 112 -2.247 7.428 -1.361 1.00 0.00 O ATOM 1754 CB GLU A 112 -1.398 10.362 -1.908 1.00 0.00 C ATOM 1755 CG GLU A 112 -2.737 11.127 -1.859 1.00 0.00 C ATOM 1756 CD GLU A 112 -3.232 11.578 -3.241 1.00 0.00 C ATOM 1757 OE1 GLU A 112 -2.448 11.696 -4.209 1.00 0.00 O ATOM 1758 OE2 GLU A 112 -4.475 11.681 -3.382 1.00 0.00 O ATOM 0 H GLU A 112 0.270 8.463 -1.914 1.00 0.00 H new ATOM 0 HA GLU A 112 -1.072 10.077 0.175 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.587 11.086 -1.989 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -1.377 9.757 -2.814 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.494 10.491 -1.400 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -2.624 12.002 -1.218 1.00 0.00 H new ATOM 1765 N PHE A 113 -3.220 8.628 0.261 1.00 0.00 N ATOM 1766 CA PHE A 113 -4.360 7.750 0.460 1.00 0.00 C ATOM 1767 C PHE A 113 -5.518 8.601 0.974 1.00 0.00 C ATOM 1768 O PHE A 113 -5.300 9.502 1.781 1.00 0.00 O ATOM 1769 CB PHE A 113 -3.964 6.656 1.455 1.00 0.00 C ATOM 1770 CG PHE A 113 -4.989 5.563 1.650 1.00 0.00 C ATOM 1771 CD1 PHE A 113 -5.407 4.802 0.550 1.00 0.00 C ATOM 1772 CD2 PHE A 113 -5.445 5.225 2.932 1.00 0.00 C ATOM 1773 CE1 PHE A 113 -6.303 3.740 0.709 1.00 0.00 C ATOM 1774 CE2 PHE A 113 -6.323 4.143 3.103 1.00 0.00 C ATOM 1775 CZ PHE A 113 -6.770 3.410 1.990 1.00 0.00 C ATOM 0 H PHE A 113 -3.235 9.443 0.874 1.00 0.00 H new ATOM 0 HA PHE A 113 -4.670 7.263 -0.465 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.032 6.202 1.120 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -3.763 7.120 2.420 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -5.032 5.039 -0.435 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -5.121 5.797 3.788 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -6.634 3.176 -0.151 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -6.656 3.873 4.094 1.00 0.00 H new ATOM 0 HZ PHE A 113 -7.469 2.597 2.120 1.00 0.00 H new ATOM 1785 N ASN A 114 -6.760 8.320 0.561 1.00 0.00 N ATOM 1786 CA ASN A 114 -7.953 9.068 0.980 1.00 0.00 C ATOM 1787 C ASN A 114 -7.766 10.598 0.819 1.00 0.00 C ATOM 1788 O ASN A 114 -8.323 11.378 1.594 1.00 0.00 O ATOM 1789 CB ASN A 114 -8.361 8.694 2.428 1.00 0.00 C ATOM 1790 CG ASN A 114 -8.754 7.240 2.683 1.00 0.00 C ATOM 1791 OD1 ASN A 114 -8.295 6.623 3.641 1.00 0.00 O ATOM 1792 ND2 ASN A 114 -9.662 6.672 1.902 1.00 0.00 N ATOM 0 H ASN A 114 -6.968 7.556 -0.082 1.00 0.00 H new ATOM 0 HA ASN A 114 -8.768 8.780 0.316 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -7.530 8.941 3.089 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -9.199 9.328 2.718 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -9.980 5.722 2.096 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -10.043 7.184 1.107 1.00 0.00 H new ATOM 1799 N ARG A 115 -7.043 11.040 -0.219 1.00 0.00 N ATOM 1800 CA ARG A 115 -6.705 12.430 -0.576 1.00 0.00 C ATOM 1801 C ARG A 115 -5.795 13.113 0.457 1.00 0.00 C ATOM 1802 O ARG A 115 -5.835 14.341 0.577 1.00 0.00 O ATOM 1803 CB ARG A 115 -7.909 13.333 -0.942 1.00 0.00 C ATOM 1804 CG ARG A 115 -9.165 12.723 -1.588 1.00 0.00 C ATOM 1805 CD ARG A 115 -10.241 12.417 -0.533 1.00 0.00 C ATOM 1806 NE ARG A 115 -11.613 12.715 -0.979 1.00 0.00 N ATOM 1807 CZ ARG A 115 -12.533 13.381 -0.262 1.00 0.00 C ATOM 1808 NH1 ARG A 115 -12.262 13.839 0.962 1.00 0.00 N ATOM 1809 NH2 ARG A 115 -13.737 13.581 -0.788 1.00 0.00 N ATOM 0 H ARG A 115 -6.645 10.381 -0.888 1.00 0.00 H new ATOM 0 HA ARG A 115 -6.140 12.315 -1.501 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -8.227 13.834 -0.028 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -7.541 14.105 -1.617 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.566 13.412 -2.331 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.898 11.807 -2.115 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -10.179 11.364 -0.259 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -10.028 12.994 0.367 1.00 0.00 H new ATOM 0 HE ARG A 115 -11.886 12.390 -1.906 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -11.340 13.686 1.371 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -12.976 14.342 1.488 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -13.950 13.231 -1.722 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -14.448 14.085 -0.258 1.00 0.00 H new ATOM 1823 N GLU A 116 -5.015 12.357 1.229 1.00 0.00 N ATOM 1824 CA GLU A 116 -4.105 12.851 2.251 1.00 0.00 C ATOM 1825 C GLU A 116 -2.752 12.207 1.993 1.00 0.00 C ATOM 1826 O GLU A 116 -2.694 11.111 1.436 1.00 0.00 O ATOM 1827 CB GLU A 116 -4.596 12.508 3.668 1.00 0.00 C ATOM 1828 CG GLU A 116 -6.019 12.962 4.009 1.00 0.00 C ATOM 1829 CD GLU A 116 -6.290 14.458 3.832 1.00 0.00 C ATOM 1830 OE1 GLU A 116 -5.343 15.282 3.876 1.00 0.00 O ATOM 1831 OE2 GLU A 116 -7.487 14.805 3.691 1.00 0.00 O ATOM 0 H GLU A 116 -5.003 11.340 1.152 1.00 0.00 H new ATOM 0 HA GLU A 116 -4.045 13.938 2.197 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.538 11.428 3.801 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -3.910 12.955 4.388 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -6.719 12.407 3.385 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -6.231 12.691 5.043 1.00 0.00 H new ATOM 1838 N TYR A 117 -1.672 12.840 2.434 1.00 0.00 N ATOM 1839 CA TYR A 117 -0.312 12.355 2.233 1.00 0.00 C ATOM 1840 C TYR A 117 0.244 11.704 3.490 1.00 0.00 C ATOM 1841 O TYR A 117 0.182 12.291 4.566 1.00 0.00 O ATOM 1842 CB TYR A 117 0.540 13.527 1.745 1.00 0.00 C ATOM 1843 CG TYR A 117 -0.144 14.293 0.622 1.00 0.00 C ATOM 1844 CD1 TYR A 117 -0.512 13.614 -0.552 1.00 0.00 C ATOM 1845 CD2 TYR A 117 -0.525 15.635 0.792 1.00 0.00 C ATOM 1846 CE1 TYR A 117 -1.203 14.273 -1.583 1.00 0.00 C ATOM 1847 CE2 TYR A 117 -1.305 16.271 -0.196 1.00 0.00 C ATOM 1848 CZ TYR A 117 -1.627 15.604 -1.402 1.00 0.00 C ATOM 1849 OH TYR A 117 -2.354 16.209 -2.385 1.00 0.00 O ATOM 0 H TYR A 117 -1.717 13.719 2.950 1.00 0.00 H new ATOM 0 HA TYR A 117 -0.300 11.569 1.478 1.00 0.00 H new ATOM 0 HB2 TYR A 117 0.740 14.202 2.577 1.00 0.00 H new ATOM 0 HB3 TYR A 117 1.504 13.156 1.397 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -0.260 12.570 -0.664 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -0.222 16.177 1.676 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -1.408 13.761 -2.511 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -1.660 17.277 -0.031 1.00 0.00 H new ATOM 0 HH TYR A 117 -2.573 17.125 -2.113 1.00 0.00 H new ATOM 1859 N TYR A 118 0.857 10.531 3.338 1.00 0.00 N ATOM 1860 CA TYR A 118 1.436 9.743 4.427 1.00 0.00 C ATOM 1861 C TYR A 118 2.887 9.358 4.179 1.00 0.00 C ATOM 1862 O TYR A 118 3.226 8.798 3.139 1.00 0.00 O ATOM 1863 CB TYR A 118 0.626 8.461 4.641 1.00 0.00 C ATOM 1864 CG TYR A 118 -0.802 8.710 5.060 1.00 0.00 C ATOM 1865 CD1 TYR A 118 -1.798 8.888 4.084 1.00 0.00 C ATOM 1866 CD2 TYR A 118 -1.122 8.808 6.425 1.00 0.00 C ATOM 1867 CE1 TYR A 118 -3.123 9.140 4.470 1.00 0.00 C ATOM 1868 CE2 TYR A 118 -2.448 9.048 6.819 1.00 0.00 C ATOM 1869 CZ TYR A 118 -3.457 9.205 5.843 1.00 0.00 C ATOM 1870 OH TYR A 118 -4.743 9.411 6.237 1.00 0.00 O ATOM 0 H TYR A 118 0.968 10.089 2.426 1.00 0.00 H new ATOM 0 HA TYR A 118 1.402 10.379 5.312 1.00 0.00 H new ATOM 0 HB2 TYR A 118 0.629 7.881 3.718 1.00 0.00 H new ATOM 0 HB3 TYR A 118 1.118 7.853 5.401 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -1.543 8.831 3.036 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -0.348 8.699 7.170 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.887 9.284 3.720 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -2.697 9.113 7.868 1.00 0.00 H new ATOM 0 HH TYR A 118 -4.787 9.426 7.216 1.00 0.00 H new ATOM 1880 N ARG A 119 3.783 9.715 5.099 1.00 0.00 N ATOM 1881 CA ARG A 119 5.193 9.375 4.985 1.00 0.00 C ATOM 1882 C ARG A 119 5.297 7.879 5.259 1.00 0.00 C ATOM 1883 O ARG A 119 4.725 7.389 6.237 1.00 0.00 O ATOM 1884 CB ARG A 119 6.033 10.228 5.946 1.00 0.00 C ATOM 1885 CG ARG A 119 7.538 10.121 5.650 1.00 0.00 C ATOM 1886 CD ARG A 119 8.280 9.038 6.444 1.00 0.00 C ATOM 1887 NE ARG A 119 8.328 9.295 7.899 1.00 0.00 N ATOM 1888 CZ ARG A 119 9.177 8.719 8.761 1.00 0.00 C ATOM 1889 NH1 ARG A 119 10.250 8.056 8.350 1.00 0.00 N ATOM 1890 NH2 ARG A 119 8.930 8.799 10.055 1.00 0.00 N ATOM 0 H ARG A 119 3.549 10.245 5.938 1.00 0.00 H new ATOM 0 HA ARG A 119 5.590 9.590 3.993 1.00 0.00 H new ATOM 0 HB2 ARG A 119 5.722 11.270 5.871 1.00 0.00 H new ATOM 0 HB3 ARG A 119 5.842 9.912 6.972 1.00 0.00 H new ATOM 0 HG2 ARG A 119 7.671 9.925 4.586 1.00 0.00 H new ATOM 0 HG3 ARG A 119 8.003 11.085 5.857 1.00 0.00 H new ATOM 0 HD2 ARG A 119 7.796 8.077 6.270 1.00 0.00 H new ATOM 0 HD3 ARG A 119 9.299 8.956 6.065 1.00 0.00 H new ATOM 0 HE ARG A 119 7.660 9.966 8.278 1.00 0.00 H new ATOM 0 HH11 ARG A 119 10.448 7.974 7.353 1.00 0.00 H new ATOM 0 HH12 ARG A 119 10.877 7.629 9.031 1.00 0.00 H new ATOM 0 HH21 ARG A 119 8.102 9.294 10.387 1.00 0.00 H new ATOM 0 HH22 ARG A 119 9.567 8.366 10.724 1.00 0.00 H new ATOM 1904 N ALA A 120 6.015 7.164 4.401 1.00 0.00 N ATOM 1905 CA ALA A 120 6.232 5.730 4.476 1.00 0.00 C ATOM 1906 C ALA A 120 7.732 5.420 4.366 1.00 0.00 C ATOM 1907 O ALA A 120 8.507 6.252 3.887 1.00 0.00 O ATOM 1908 CB ALA A 120 5.475 5.066 3.325 1.00 0.00 C ATOM 0 H ALA A 120 6.481 7.590 3.600 1.00 0.00 H new ATOM 0 HA ALA A 120 5.870 5.347 5.430 1.00 0.00 H new ATOM 0 HB1 ALA A 120 5.626 3.987 3.365 1.00 0.00 H new ATOM 0 HB2 ALA A 120 4.411 5.287 3.414 1.00 0.00 H new ATOM 0 HB3 ALA A 120 5.847 5.450 2.375 1.00 0.00 H new ATOM 1914 N VAL A 121 8.131 4.200 4.726 1.00 0.00 N ATOM 1915 CA VAL A 121 9.522 3.741 4.673 1.00 0.00 C ATOM 1916 C VAL A 121 9.597 2.396 3.969 1.00 0.00 C ATOM 1917 O VAL A 121 8.664 1.601 4.050 1.00 0.00 O ATOM 1918 CB VAL A 121 10.109 3.476 6.076 1.00 0.00 C ATOM 1919 CG1 VAL A 121 11.638 3.439 6.048 1.00 0.00 C ATOM 1920 CG2 VAL A 121 9.720 4.433 7.184 1.00 0.00 C ATOM 0 H VAL A 121 7.486 3.489 5.069 1.00 0.00 H new ATOM 0 HA VAL A 121 10.073 4.530 4.162 1.00 0.00 H new ATOM 0 HB VAL A 121 9.661 2.512 6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 121 12.016 3.250 7.053 1.00 0.00 H new ATOM 0 HG12 VAL A 121 11.971 2.644 5.380 1.00 0.00 H new ATOM 0 HG13 VAL A 121 12.019 4.396 5.691 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.202 4.129 8.113 1.00 0.00 H new ATOM 0 HG22 VAL A 121 10.039 5.442 6.922 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.638 4.417 7.315 1.00 0.00 H new ATOM 1930 N LEU A 122 10.721 2.122 3.318 1.00 0.00 N ATOM 1931 CA LEU A 122 11.025 0.884 2.621 1.00 0.00 C ATOM 1932 C LEU A 122 11.138 -0.149 3.753 1.00 0.00 C ATOM 1933 O LEU A 122 11.975 0.016 4.638 1.00 0.00 O ATOM 1934 CB LEU A 122 12.301 1.131 1.790 1.00 0.00 C ATOM 1935 CG LEU A 122 12.588 0.032 0.769 1.00 0.00 C ATOM 1936 CD1 LEU A 122 11.386 -0.256 -0.133 1.00 0.00 C ATOM 1937 CD2 LEU A 122 13.754 0.402 -0.152 1.00 0.00 C ATOM 0 H LEU A 122 11.484 2.796 3.261 1.00 0.00 H new ATOM 0 HA LEU A 122 10.291 0.523 1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 122 12.206 2.084 1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 122 13.152 1.220 2.465 1.00 0.00 H new ATOM 0 HG LEU A 122 12.830 -0.849 1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 122 11.643 -1.045 -0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 122 10.542 -0.577 0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 122 11.116 0.648 -0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 122 13.926 -0.406 -0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 122 13.514 1.317 -0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 122 14.653 0.558 0.444 1.00 0.00 H new ATOM 1949 N ILE A 123 10.278 -1.174 3.784 1.00 0.00 N ATOM 1950 CA ILE A 123 10.276 -2.144 4.887 1.00 0.00 C ATOM 1951 C ILE A 123 11.410 -3.127 4.707 1.00 0.00 C ATOM 1952 O ILE A 123 12.172 -3.431 5.619 1.00 0.00 O ATOM 1953 CB ILE A 123 8.953 -2.953 4.888 1.00 0.00 C ATOM 1954 CG1 ILE A 123 7.802 -2.045 5.311 1.00 0.00 C ATOM 1955 CG2 ILE A 123 8.966 -4.177 5.833 1.00 0.00 C ATOM 1956 CD1 ILE A 123 6.478 -2.453 4.680 1.00 0.00 C ATOM 0 H ILE A 123 9.579 -1.353 3.063 1.00 0.00 H new ATOM 0 HA ILE A 123 10.385 -1.594 5.822 1.00 0.00 H new ATOM 0 HB ILE A 123 8.830 -3.326 3.871 1.00 0.00 H new ATOM 0 HG12 ILE A 123 7.706 -2.067 6.397 1.00 0.00 H new ATOM 0 HG13 ILE A 123 8.033 -1.017 5.032 1.00 0.00 H new ATOM 0 HG21 ILE A 123 8.006 -4.690 5.777 1.00 0.00 H new ATOM 0 HG22 ILE A 123 9.761 -4.860 5.533 1.00 0.00 H new ATOM 0 HG23 ILE A 123 9.141 -3.845 6.856 1.00 0.00 H new ATOM 0 HD11 ILE A 123 5.692 -1.775 5.013 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.562 -2.405 3.594 1.00 0.00 H new ATOM 0 HD13 ILE A 123 6.230 -3.471 4.980 1.00 0.00 H new