USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 712 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 35 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 85 CYS SG : rot 110:sc= -0.506! USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 57:sc= 0.655 USER MOD Single : A 20 LYS NZ :NH3+ -151:sc= -0.0976 (180deg=-1.11) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= -0.0153 USER MOD Single : A 47 THR OG1 : rot 24:sc= 0.138 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -86:sc= 0.585 USER MOD Single : A 62 GLN : amide:sc= -0.703 K(o=-0.7,f=-1.5!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -7.8! C(o=-7.8!,f=-7.3!) USER MOD Single : A 80 SER OG : rot -62:sc= 1.16 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -170:sc= -0.0877 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 130 N TRP A 13 11.219 -14.129 -4.569 1.00 0.00 N ATOM 131 CA TRP A 13 11.339 -12.755 -5.043 1.00 0.00 C ATOM 132 C TRP A 13 11.175 -11.767 -3.894 1.00 0.00 C ATOM 133 O TRP A 13 11.983 -10.852 -3.730 1.00 0.00 O ATOM 134 CB TRP A 13 10.296 -12.475 -6.126 1.00 0.00 C ATOM 135 CG TRP A 13 10.710 -12.948 -7.487 1.00 0.00 C ATOM 136 CD1 TRP A 13 10.149 -13.963 -8.207 1.00 0.00 C ATOM 137 CD2 TRP A 13 11.775 -12.425 -8.288 1.00 0.00 C ATOM 138 NE1 TRP A 13 10.801 -14.103 -9.409 1.00 0.00 N ATOM 139 CE2 TRP A 13 11.802 -13.171 -9.483 1.00 0.00 C ATOM 140 CE3 TRP A 13 12.707 -11.398 -8.113 1.00 0.00 C ATOM 141 CZ2 TRP A 13 12.726 -12.921 -10.494 1.00 0.00 C ATOM 142 CZ3 TRP A 13 13.623 -11.153 -9.118 1.00 0.00 C ATOM 143 CH2 TRP A 13 13.627 -11.911 -10.297 1.00 0.00 C ATOM 0 HA TRP A 13 12.335 -12.628 -5.467 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.359 -12.958 -5.851 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.102 -11.403 -6.165 1.00 0.00 H new ATOM 0 HD1 TRP A 13 9.316 -14.567 -7.880 1.00 0.00 H new ATOM 0 HE1 TRP A 13 10.576 -14.790 -10.129 1.00 0.00 H new ATOM 0 HE3 TRP A 13 12.711 -10.807 -7.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 12.731 -13.505 -11.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 14.349 -10.363 -8.993 1.00 0.00 H new ATOM 0 HH2 TRP A 13 14.355 -11.693 -11.064 1.00 0.00 H new ATOM 154 N ILE A 14 10.125 -11.957 -3.101 1.00 0.00 N ATOM 155 CA ILE A 14 9.858 -11.082 -1.966 1.00 0.00 C ATOM 156 C ILE A 14 10.824 -11.357 -0.820 1.00 0.00 C ATOM 157 O ILE A 14 10.665 -12.327 -0.078 1.00 0.00 O ATOM 158 CB ILE A 14 8.414 -11.247 -1.457 1.00 0.00 C ATOM 159 CG1 ILE A 14 7.418 -11.001 -2.592 1.00 0.00 C ATOM 160 CG2 ILE A 14 8.149 -10.298 -0.297 1.00 0.00 C ATOM 161 CD1 ILE A 14 6.042 -11.569 -2.322 1.00 0.00 C ATOM 0 H ILE A 14 9.446 -12.708 -3.224 1.00 0.00 H new ATOM 0 HA ILE A 14 9.997 -10.059 -2.316 1.00 0.00 H new ATOM 0 HB ILE A 14 8.285 -12.269 -1.101 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.332 -9.928 -2.763 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.810 -11.440 -3.510 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.124 -10.427 0.052 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.840 -10.517 0.517 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.293 -9.270 -0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.389 -11.357 -3.168 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.115 -12.647 -2.181 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.630 -11.112 -1.422 1.00 0.00 H new ATOM 173 N VAL A 15 11.827 -10.496 -0.679 1.00 0.00 N ATOM 174 CA VAL A 15 12.819 -10.645 0.380 1.00 0.00 C ATOM 175 C VAL A 15 12.289 -10.114 1.707 1.00 0.00 C ATOM 176 O VAL A 15 12.656 -10.605 2.775 1.00 0.00 O ATOM 177 CB VAL A 15 14.127 -9.910 0.030 1.00 0.00 C ATOM 178 CG1 VAL A 15 13.897 -8.407 -0.024 1.00 0.00 C ATOM 179 CG2 VAL A 15 15.216 -10.254 1.035 1.00 0.00 C ATOM 0 H VAL A 15 11.974 -9.688 -1.284 1.00 0.00 H new ATOM 0 HA VAL A 15 13.024 -11.711 0.475 1.00 0.00 H new ATOM 0 HB VAL A 15 14.456 -10.239 -0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.832 -7.905 -0.272 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.150 -8.180 -0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.544 -8.058 0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 15 16.133 -9.726 0.773 1.00 0.00 H new ATOM 0 HG22 VAL A 15 14.898 -9.954 2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 15 15.399 -11.328 1.020 1.00 0.00 H new ATOM 189 N TYR A 16 11.424 -9.108 1.633 1.00 0.00 N ATOM 190 CA TYR A 16 10.845 -8.509 2.829 1.00 0.00 C ATOM 191 C TYR A 16 9.592 -7.709 2.485 1.00 0.00 C ATOM 192 O TYR A 16 9.492 -7.087 1.428 1.00 0.00 O ATOM 193 CB TYR A 16 11.868 -7.604 3.518 1.00 0.00 C ATOM 194 CG TYR A 16 11.250 -6.614 4.480 1.00 0.00 C ATOM 195 CD1 TYR A 16 10.450 -5.575 4.020 1.00 0.00 C ATOM 196 CD2 TYR A 16 11.467 -6.717 5.848 1.00 0.00 C ATOM 197 CE1 TYR A 16 9.884 -4.668 4.895 1.00 0.00 C ATOM 198 CE2 TYR A 16 10.904 -5.816 6.731 1.00 0.00 C ATOM 199 CZ TYR A 16 10.114 -4.793 6.249 1.00 0.00 C ATOM 200 OH TYR A 16 9.552 -3.892 7.125 1.00 0.00 O ATOM 0 H TYR A 16 11.109 -8.691 0.757 1.00 0.00 H new ATOM 0 HA TYR A 16 10.566 -9.314 3.509 1.00 0.00 H new ATOM 0 HB2 TYR A 16 12.584 -8.224 4.058 1.00 0.00 H new ATOM 0 HB3 TYR A 16 12.428 -7.059 2.758 1.00 0.00 H new ATOM 0 HD1 TYR A 16 10.268 -5.475 2.960 1.00 0.00 H new ATOM 0 HD2 TYR A 16 12.087 -7.516 6.228 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.265 -3.866 4.521 1.00 0.00 H new ATOM 0 HE2 TYR A 16 11.081 -5.912 7.792 1.00 0.00 H new ATOM 0 HH TYR A 16 9.811 -4.122 8.042 1.00 0.00 H new ATOM 210 N PRO A 17 8.612 -7.725 3.401 1.00 0.00 N ATOM 211 CA PRO A 17 8.719 -8.462 4.663 1.00 0.00 C ATOM 212 C PRO A 17 8.684 -9.973 4.457 1.00 0.00 C ATOM 213 O PRO A 17 8.349 -10.453 3.374 1.00 0.00 O ATOM 214 CB PRO A 17 7.489 -8.001 5.449 1.00 0.00 C ATOM 215 CG PRO A 17 6.509 -7.583 4.408 1.00 0.00 C ATOM 216 CD PRO A 17 7.323 -7.024 3.274 1.00 0.00 C ATOM 0 HA PRO A 17 9.664 -8.266 5.170 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.090 -8.805 6.068 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.733 -7.175 6.117 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.907 -8.429 4.076 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.819 -6.835 4.799 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.854 -7.217 2.309 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.443 -5.944 3.360 1.00 0.00 H new ATOM 224 N SER A 18 9.032 -10.716 5.502 1.00 0.00 N ATOM 225 CA SER A 18 9.044 -12.173 5.434 1.00 0.00 C ATOM 226 C SER A 18 7.958 -12.767 6.325 1.00 0.00 C ATOM 227 O SER A 18 8.249 -13.427 7.322 1.00 0.00 O ATOM 228 CB SER A 18 10.413 -12.713 5.850 1.00 0.00 C ATOM 229 OG SER A 18 10.703 -12.386 7.198 1.00 0.00 O ATOM 0 H SER A 18 9.309 -10.334 6.406 1.00 0.00 H new ATOM 0 HA SER A 18 8.844 -12.466 4.403 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.434 -13.795 5.723 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.183 -12.300 5.199 1.00 0.00 H new ATOM 0 HG SER A 18 9.991 -12.728 7.778 1.00 0.00 H new ATOM 235 N GLY A 19 6.702 -12.527 5.959 1.00 0.00 N ATOM 236 CA GLY A 19 5.591 -13.044 6.735 1.00 0.00 C ATOM 237 C GLY A 19 4.355 -12.173 6.630 1.00 0.00 C ATOM 238 O GLY A 19 3.942 -11.797 5.533 1.00 0.00 O ATOM 0 H GLY A 19 6.435 -11.983 5.138 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.352 -14.051 6.394 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.888 -13.123 7.781 1.00 0.00 H new ATOM 242 N LYS A 20 3.761 -11.851 7.774 1.00 0.00 N ATOM 243 CA LYS A 20 2.564 -11.019 7.808 1.00 0.00 C ATOM 244 C LYS A 20 2.883 -9.629 8.347 1.00 0.00 C ATOM 245 O LYS A 20 3.732 -9.472 9.225 1.00 0.00 O ATOM 246 CB LYS A 20 1.484 -11.677 8.670 1.00 0.00 C ATOM 247 CG LYS A 20 0.577 -12.617 7.895 1.00 0.00 C ATOM 248 CD LYS A 20 1.316 -13.871 7.457 1.00 0.00 C ATOM 249 CE LYS A 20 1.220 -14.969 8.505 1.00 0.00 C ATOM 250 NZ LYS A 20 2.271 -14.832 9.550 1.00 0.00 N ATOM 0 H LYS A 20 4.089 -12.154 8.691 1.00 0.00 H new ATOM 0 HA LYS A 20 2.194 -10.918 6.788 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.963 -12.231 9.477 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.877 -10.899 9.133 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.276 -12.894 8.515 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.181 -12.102 7.019 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.901 -14.229 6.515 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.364 -13.632 7.274 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.236 -14.939 8.973 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.313 -15.941 8.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.507 -15.771 9.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.122 -14.404 9.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.920 -14.225 10.318 1.00 0.00 H new ATOM 264 N VAL A 21 2.196 -8.621 7.818 1.00 0.00 N ATOM 265 CA VAL A 21 2.404 -7.244 8.249 1.00 0.00 C ATOM 266 C VAL A 21 1.075 -6.531 8.473 1.00 0.00 C ATOM 267 O VAL A 21 0.295 -6.342 7.539 1.00 0.00 O ATOM 268 CB VAL A 21 3.231 -6.453 7.218 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.389 -5.005 7.658 1.00 0.00 C ATOM 270 CG2 VAL A 21 4.589 -7.106 7.011 1.00 0.00 C ATOM 0 H VAL A 21 1.490 -8.733 7.090 1.00 0.00 H new ATOM 0 HA VAL A 21 2.953 -7.286 9.190 1.00 0.00 H new ATOM 0 HB VAL A 21 2.699 -6.463 6.267 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.976 -4.462 6.917 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.406 -4.544 7.751 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.899 -4.971 8.621 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.160 -6.534 6.280 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.130 -7.128 7.957 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.451 -8.125 6.648 1.00 0.00 H new ATOM 280 N TYR A 22 0.824 -6.138 9.716 1.00 0.00 N ATOM 281 CA TYR A 22 -0.412 -5.447 10.064 1.00 0.00 C ATOM 282 C TYR A 22 -0.193 -3.938 10.132 1.00 0.00 C ATOM 283 O TYR A 22 0.789 -3.467 10.706 1.00 0.00 O ATOM 284 CB TYR A 22 -0.946 -5.956 11.404 1.00 0.00 C ATOM 285 CG TYR A 22 -1.513 -7.356 11.337 1.00 0.00 C ATOM 286 CD1 TYR A 22 -0.780 -8.398 10.781 1.00 0.00 C ATOM 287 CD2 TYR A 22 -2.780 -7.638 11.831 1.00 0.00 C ATOM 288 CE1 TYR A 22 -1.293 -9.678 10.717 1.00 0.00 C ATOM 289 CE2 TYR A 22 -3.302 -8.916 11.772 1.00 0.00 C ATOM 290 CZ TYR A 22 -2.555 -9.933 11.215 1.00 0.00 C ATOM 291 OH TYR A 22 -3.069 -11.207 11.154 1.00 0.00 O ATOM 0 H TYR A 22 1.460 -6.286 10.500 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.145 -5.655 9.285 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.141 -5.934 12.139 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.720 -5.276 11.759 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.208 -8.203 10.392 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.367 -6.845 12.269 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.710 -10.475 10.280 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.290 -9.118 12.160 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.966 -11.217 11.548 1.00 0.00 H new ATOM 301 N VAL A 23 -1.115 -3.186 9.541 1.00 0.00 N ATOM 302 CA VAL A 23 -1.025 -1.730 9.534 1.00 0.00 C ATOM 303 C VAL A 23 -2.388 -1.095 9.783 1.00 0.00 C ATOM 304 O VAL A 23 -3.405 -1.559 9.267 1.00 0.00 O ATOM 305 CB VAL A 23 -0.464 -1.209 8.199 1.00 0.00 C ATOM 306 CG1 VAL A 23 -0.267 0.299 8.254 1.00 0.00 C ATOM 307 CG2 VAL A 23 0.841 -1.913 7.858 1.00 0.00 C ATOM 0 H VAL A 23 -1.933 -3.560 9.061 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.345 -1.451 10.338 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.185 -1.429 7.412 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.130 0.649 7.301 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.224 0.784 8.448 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.434 0.546 9.052 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.223 -1.532 6.911 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.571 -1.727 8.645 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.665 -2.985 7.773 1.00 0.00 H new ATOM 317 N ALA A 24 -2.402 -0.028 10.576 1.00 0.00 N ATOM 318 CA ALA A 24 -3.640 0.674 10.892 1.00 0.00 C ATOM 319 C ALA A 24 -3.634 2.084 10.312 1.00 0.00 C ATOM 320 O ALA A 24 -2.645 2.807 10.423 1.00 0.00 O ATOM 321 CB ALA A 24 -3.851 0.721 12.398 1.00 0.00 C ATOM 0 H ALA A 24 -1.569 0.369 11.011 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.466 0.126 10.438 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.779 1.248 12.619 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.908 -0.295 12.789 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.017 1.243 12.866 1.00 0.00 H new ATOM 327 N ALA A 25 -4.746 2.468 9.692 1.00 0.00 N ATOM 328 CA ALA A 25 -4.869 3.793 9.096 1.00 0.00 C ATOM 329 C ALA A 25 -6.208 4.431 9.449 1.00 0.00 C ATOM 330 O ALA A 25 -7.073 3.793 10.048 1.00 0.00 O ATOM 331 CB ALA A 25 -4.703 3.709 7.586 1.00 0.00 C ATOM 0 H ALA A 25 -5.574 1.881 9.590 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.078 4.423 9.503 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.797 4.705 7.154 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.720 3.302 7.350 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.473 3.059 7.171 1.00 0.00 H new ATOM 337 N VAL A 26 -6.372 5.696 9.075 1.00 0.00 N ATOM 338 CA VAL A 26 -7.606 6.422 9.351 1.00 0.00 C ATOM 339 C VAL A 26 -8.145 7.089 8.091 1.00 0.00 C ATOM 340 O VAL A 26 -7.414 7.291 7.122 1.00 0.00 O ATOM 341 CB VAL A 26 -7.395 7.494 10.437 1.00 0.00 C ATOM 342 CG1 VAL A 26 -8.683 7.730 11.211 1.00 0.00 C ATOM 343 CG2 VAL A 26 -6.267 7.088 11.374 1.00 0.00 C ATOM 0 H VAL A 26 -5.665 6.240 8.580 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.331 5.691 9.709 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.114 8.429 9.951 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.515 8.490 11.974 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.462 8.068 10.527 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.997 6.801 11.687 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.132 7.857 12.135 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.516 6.142 11.854 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.344 6.974 10.805 1.00 0.00 H new ATOM 353 N ARG A 27 -9.430 7.430 8.113 1.00 0.00 N ATOM 354 CA ARG A 27 -10.068 8.075 6.972 1.00 0.00 C ATOM 355 C ARG A 27 -9.214 9.227 6.450 1.00 0.00 C ATOM 356 O ARG A 27 -8.941 10.187 7.171 1.00 0.00 O ATOM 357 CB ARG A 27 -11.455 8.590 7.360 1.00 0.00 C ATOM 358 CG ARG A 27 -12.373 8.823 6.171 1.00 0.00 C ATOM 359 CD ARG A 27 -13.077 7.543 5.751 1.00 0.00 C ATOM 360 NE ARG A 27 -13.649 7.647 4.411 1.00 0.00 N ATOM 361 CZ ARG A 27 -14.832 8.194 4.157 1.00 0.00 C ATOM 362 NH1 ARG A 27 -15.565 8.684 5.147 1.00 0.00 N ATOM 363 NH2 ARG A 27 -15.284 8.252 2.911 1.00 0.00 N ATOM 0 H ARG A 27 -10.049 7.270 8.908 1.00 0.00 H new ATOM 0 HA ARG A 27 -10.171 7.334 6.179 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.923 7.874 8.035 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.345 9.523 7.912 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -13.114 9.580 6.425 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -11.794 9.212 5.334 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -12.370 6.714 5.780 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -13.867 7.313 6.466 1.00 0.00 H new ATOM 0 HE ARG A 27 -13.110 7.279 3.627 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -15.221 8.641 6.106 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -16.473 9.104 4.950 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -14.723 7.876 2.147 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -16.193 8.672 2.717 1.00 0.00 H new ATOM 377 N LEU A 28 -8.795 9.123 5.194 1.00 0.00 N ATOM 378 CA LEU A 28 -7.971 10.155 4.575 1.00 0.00 C ATOM 379 C LEU A 28 -6.618 10.263 5.271 1.00 0.00 C ATOM 380 O LEU A 28 -6.105 11.361 5.485 1.00 0.00 O ATOM 381 CB LEU A 28 -8.690 11.505 4.621 1.00 0.00 C ATOM 382 CG LEU A 28 -10.140 11.510 4.137 1.00 0.00 C ATOM 383 CD1 LEU A 28 -10.794 12.852 4.424 1.00 0.00 C ATOM 384 CD2 LEU A 28 -10.208 11.188 2.651 1.00 0.00 C ATOM 0 H LEU A 28 -9.012 8.335 4.584 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.802 9.875 3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.670 11.870 5.648 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.124 12.216 4.019 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.687 10.739 4.680 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.826 12.837 4.072 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.779 13.042 5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.247 13.641 3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.248 11.196 2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.646 11.935 2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.779 10.202 2.472 1.00 0.00 H new ATOM 396 N GLU A 29 -6.045 9.115 5.620 1.00 0.00 N ATOM 397 CA GLU A 29 -4.750 9.082 6.291 1.00 0.00 C ATOM 398 C GLU A 29 -3.641 8.706 5.313 1.00 0.00 C ATOM 399 O GLU A 29 -3.898 8.126 4.258 1.00 0.00 O ATOM 400 CB GLU A 29 -4.779 8.087 7.453 1.00 0.00 C ATOM 401 CG GLU A 29 -3.458 7.979 8.194 1.00 0.00 C ATOM 402 CD GLU A 29 -3.082 9.263 8.908 1.00 0.00 C ATOM 403 OE1 GLU A 29 -3.994 9.953 9.409 1.00 0.00 O ATOM 404 OE2 GLU A 29 -1.874 9.578 8.964 1.00 0.00 O ATOM 0 H GLU A 29 -6.456 8.197 5.450 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.545 10.079 6.681 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.557 8.385 8.156 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.053 7.104 7.071 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.518 7.168 8.920 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.670 7.716 7.488 1.00 0.00 H new ATOM 411 N ARG A 30 -2.406 9.041 5.672 1.00 0.00 N ATOM 412 CA ARG A 30 -1.256 8.741 4.826 1.00 0.00 C ATOM 413 C ARG A 30 -0.467 7.560 5.382 1.00 0.00 C ATOM 414 O ARG A 30 0.045 7.612 6.500 1.00 0.00 O ATOM 415 CB ARG A 30 -0.348 9.966 4.710 1.00 0.00 C ATOM 416 CG ARG A 30 1.097 9.625 4.383 1.00 0.00 C ATOM 417 CD ARG A 30 1.956 9.578 5.637 1.00 0.00 C ATOM 418 NE ARG A 30 2.651 10.840 5.872 1.00 0.00 N ATOM 419 CZ ARG A 30 3.676 10.971 6.707 1.00 0.00 C ATOM 420 NH1 ARG A 30 4.123 9.921 7.382 1.00 0.00 N ATOM 421 NH2 ARG A 30 4.257 12.153 6.867 1.00 0.00 N ATOM 0 H ARG A 30 -2.176 9.520 6.543 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.624 8.476 3.835 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.740 10.627 3.937 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.378 10.520 5.648 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.139 8.661 3.876 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.500 10.366 3.693 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.329 9.344 6.497 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.686 8.774 5.546 1.00 0.00 H new ATOM 0 HE ARG A 30 2.332 11.667 5.367 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.680 9.010 7.261 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.910 10.024 8.023 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.917 12.963 6.349 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.044 12.252 7.508 1.00 0.00 H new ATOM 435 N VAL A 31 -0.372 6.494 4.593 1.00 0.00 N ATOM 436 CA VAL A 31 0.355 5.300 5.005 1.00 0.00 C ATOM 437 C VAL A 31 1.562 5.053 4.105 1.00 0.00 C ATOM 438 O VAL A 31 1.679 5.642 3.031 1.00 0.00 O ATOM 439 CB VAL A 31 -0.551 4.055 4.982 1.00 0.00 C ATOM 440 CG1 VAL A 31 -1.766 4.262 5.873 1.00 0.00 C ATOM 441 CG2 VAL A 31 -0.974 3.730 3.557 1.00 0.00 C ATOM 0 H VAL A 31 -0.790 6.434 3.665 1.00 0.00 H new ATOM 0 HA VAL A 31 0.696 5.474 6.026 1.00 0.00 H new ATOM 0 HB VAL A 31 0.015 3.208 5.371 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.394 3.372 5.844 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.440 4.442 6.897 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.336 5.120 5.517 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.614 2.847 3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.522 4.574 3.139 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.090 3.535 2.950 1.00 0.00 H new ATOM 451 N VAL A 32 2.457 4.178 4.552 1.00 0.00 N ATOM 452 CA VAL A 32 3.654 3.851 3.787 1.00 0.00 C ATOM 453 C VAL A 32 4.022 2.380 3.942 1.00 0.00 C ATOM 454 O VAL A 32 4.529 1.962 4.984 1.00 0.00 O ATOM 455 CB VAL A 32 4.852 4.717 4.222 1.00 0.00 C ATOM 456 CG1 VAL A 32 6.104 4.321 3.455 1.00 0.00 C ATOM 457 CG2 VAL A 32 4.540 6.193 4.026 1.00 0.00 C ATOM 0 H VAL A 32 2.376 3.683 5.440 1.00 0.00 H new ATOM 0 HA VAL A 32 3.426 4.057 2.741 1.00 0.00 H new ATOM 0 HB VAL A 32 5.036 4.546 5.283 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.939 4.943 3.776 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.335 3.274 3.651 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.936 4.461 2.387 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.397 6.791 4.338 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.329 6.384 2.974 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.671 6.464 4.625 1.00 0.00 H new ATOM 467 N LEU A 33 3.763 1.598 2.900 1.00 0.00 N ATOM 468 CA LEU A 33 4.067 0.171 2.920 1.00 0.00 C ATOM 469 C LEU A 33 5.536 -0.077 2.595 1.00 0.00 C ATOM 470 O LEU A 33 6.122 0.606 1.754 1.00 0.00 O ATOM 471 CB LEU A 33 3.179 -0.573 1.921 1.00 0.00 C ATOM 472 CG LEU A 33 1.860 -1.117 2.471 1.00 0.00 C ATOM 473 CD1 LEU A 33 1.181 -0.080 3.352 1.00 0.00 C ATOM 474 CD2 LEU A 33 0.941 -1.537 1.333 1.00 0.00 C ATOM 0 H LEU A 33 3.343 1.928 2.031 1.00 0.00 H new ATOM 0 HA LEU A 33 3.868 -0.204 3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.954 0.100 1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.749 -1.406 1.509 1.00 0.00 H new ATOM 0 HG LEU A 33 2.076 -1.995 3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.244 -0.485 3.734 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.835 0.172 4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.977 0.817 2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.007 -1.922 1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.731 -0.676 0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.425 -2.314 0.742 1.00 0.00 H new ATOM 486 N THR A 34 6.128 -1.060 3.267 1.00 0.00 N ATOM 487 CA THR A 34 7.528 -1.400 3.049 1.00 0.00 C ATOM 488 C THR A 34 7.668 -2.783 2.424 1.00 0.00 C ATOM 489 O THR A 34 7.325 -3.792 3.042 1.00 0.00 O ATOM 490 CB THR A 34 8.327 -1.361 4.366 1.00 0.00 C ATOM 491 OG1 THR A 34 8.066 -0.137 5.061 1.00 0.00 O ATOM 492 CG2 THR A 34 9.819 -1.490 4.098 1.00 0.00 C ATOM 0 H THR A 34 5.659 -1.635 3.967 1.00 0.00 H new ATOM 0 HA THR A 34 7.931 -0.653 2.365 1.00 0.00 H new ATOM 0 HB THR A 34 8.011 -2.203 4.982 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.576 -0.121 5.898 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.362 -1.460 5.042 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.018 -2.436 3.595 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.147 -0.666 3.464 1.00 0.00 H new ATOM 500 N CYS A 35 8.173 -2.824 1.196 1.00 0.00 N ATOM 501 CA CYS A 35 8.358 -4.085 0.487 1.00 0.00 C ATOM 502 C CYS A 35 9.684 -4.095 -0.267 1.00 0.00 C ATOM 503 O CYS A 35 9.828 -3.436 -1.296 1.00 0.00 O ATOM 504 CB CYS A 35 7.202 -4.321 -0.486 1.00 0.00 C ATOM 505 SG CYS A 35 6.856 -6.066 -0.812 1.00 0.00 S ATOM 0 H CYS A 35 8.462 -1.999 0.671 1.00 0.00 H new ATOM 0 HA CYS A 35 8.373 -4.889 1.223 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.303 -3.852 -0.086 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.428 -3.824 -1.429 1.00 0.00 H new ATOM 0 HG CYS A 35 5.862 -6.163 -1.644 1.00 0.00 H new ATOM 511 N GLU A 36 10.649 -4.846 0.253 1.00 0.00 N ATOM 512 CA GLU A 36 11.964 -4.939 -0.371 1.00 0.00 C ATOM 513 C GLU A 36 12.053 -6.168 -1.272 1.00 0.00 C ATOM 514 O GLU A 36 11.316 -7.139 -1.092 1.00 0.00 O ATOM 515 CB GLU A 36 13.057 -4.998 0.698 1.00 0.00 C ATOM 516 CG GLU A 36 14.461 -4.827 0.143 1.00 0.00 C ATOM 517 CD GLU A 36 15.408 -4.186 1.138 1.00 0.00 C ATOM 518 OE1 GLU A 36 15.740 -4.842 2.148 1.00 0.00 O ATOM 519 OE2 GLU A 36 15.817 -3.028 0.908 1.00 0.00 O ATOM 0 H GLU A 36 10.546 -5.399 1.104 1.00 0.00 H new ATOM 0 HA GLU A 36 12.111 -4.049 -0.983 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.871 -4.220 1.439 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.995 -5.954 1.217 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.853 -5.801 -0.150 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.419 -4.216 -0.759 1.00 0.00 H new ATOM 526 N LEU A 37 12.958 -6.118 -2.242 1.00 0.00 N ATOM 527 CA LEU A 37 13.144 -7.225 -3.173 1.00 0.00 C ATOM 528 C LEU A 37 14.612 -7.634 -3.247 1.00 0.00 C ATOM 529 O LEU A 37 15.501 -6.857 -2.897 1.00 0.00 O ATOM 530 CB LEU A 37 12.640 -6.838 -4.565 1.00 0.00 C ATOM 531 CG LEU A 37 11.237 -6.233 -4.626 1.00 0.00 C ATOM 532 CD1 LEU A 37 10.936 -5.724 -6.027 1.00 0.00 C ATOM 533 CD2 LEU A 37 10.197 -7.254 -4.192 1.00 0.00 C ATOM 0 H LEU A 37 13.575 -5.322 -2.405 1.00 0.00 H new ATOM 0 HA LEU A 37 12.567 -8.075 -2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.341 -6.124 -4.998 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.659 -7.726 -5.196 1.00 0.00 H new ATOM 0 HG LEU A 37 11.196 -5.388 -3.938 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.933 -5.297 -6.051 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.663 -4.959 -6.300 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.996 -6.551 -6.735 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.205 -6.806 -4.242 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.238 -8.119 -4.854 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.402 -7.570 -3.169 1.00 0.00 H new ATOM 545 N CYS A 38 14.858 -8.856 -3.707 1.00 0.00 N ATOM 546 CA CYS A 38 16.219 -9.367 -3.828 1.00 0.00 C ATOM 547 C CYS A 38 16.830 -8.974 -5.169 1.00 0.00 C ATOM 548 O CYS A 38 17.869 -9.500 -5.567 1.00 0.00 O ATOM 549 CB CYS A 38 16.229 -10.889 -3.676 1.00 0.00 C ATOM 550 SG CYS A 38 17.827 -11.570 -3.174 1.00 0.00 S ATOM 0 H CYS A 38 14.134 -9.511 -4.002 1.00 0.00 H new ATOM 0 HA CYS A 38 16.819 -8.925 -3.033 1.00 0.00 H new ATOM 0 HB2 CYS A 38 15.477 -11.175 -2.941 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.935 -11.340 -4.624 1.00 0.00 H new ATOM 0 HG CYS A 38 17.735 -12.863 -3.070 1.00 0.00 H new ATOM 556 N ARG A 39 16.177 -8.046 -5.862 1.00 0.00 N ATOM 557 CA ARG A 39 16.654 -7.584 -7.159 1.00 0.00 C ATOM 558 C ARG A 39 16.252 -6.132 -7.401 1.00 0.00 C ATOM 559 O ARG A 39 15.135 -5.713 -7.096 1.00 0.00 O ATOM 560 CB ARG A 39 16.100 -8.471 -8.276 1.00 0.00 C ATOM 561 CG ARG A 39 16.967 -9.682 -8.578 1.00 0.00 C ATOM 562 CD ARG A 39 18.308 -9.274 -9.168 1.00 0.00 C ATOM 563 NE ARG A 39 19.099 -10.430 -9.581 1.00 0.00 N ATOM 564 CZ ARG A 39 20.393 -10.368 -9.876 1.00 0.00 C ATOM 565 NH1 ARG A 39 21.038 -9.212 -9.803 1.00 0.00 N ATOM 566 NH2 ARG A 39 21.044 -11.464 -10.243 1.00 0.00 N ATOM 0 H ARG A 39 15.316 -7.600 -5.546 1.00 0.00 H new ATOM 0 HA ARG A 39 17.742 -7.647 -7.161 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.102 -8.809 -7.998 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.994 -7.875 -9.183 1.00 0.00 H new ATOM 0 HG2 ARG A 39 17.129 -10.252 -7.663 1.00 0.00 H new ATOM 0 HG3 ARG A 39 16.446 -10.339 -9.275 1.00 0.00 H new ATOM 0 HD2 ARG A 39 18.143 -8.622 -10.026 1.00 0.00 H new ATOM 0 HD3 ARG A 39 18.867 -8.696 -8.432 1.00 0.00 H new ATOM 0 HE ARG A 39 18.632 -11.335 -9.647 1.00 0.00 H new ATOM 0 HH11 ARG A 39 20.541 -8.368 -9.520 1.00 0.00 H new ATOM 0 HH12 ARG A 39 22.031 -9.167 -10.030 1.00 0.00 H new ATOM 0 HH21 ARG A 39 20.551 -12.355 -10.299 1.00 0.00 H new ATOM 0 HH22 ARG A 39 22.037 -11.415 -10.469 1.00 0.00 H new ATOM 580 N PRO A 40 17.182 -5.346 -7.963 1.00 0.00 N ATOM 581 CA PRO A 40 16.947 -3.929 -8.258 1.00 0.00 C ATOM 582 C PRO A 40 15.952 -3.732 -9.396 1.00 0.00 C ATOM 583 O PRO A 40 15.022 -2.932 -9.289 1.00 0.00 O ATOM 584 CB PRO A 40 18.332 -3.418 -8.664 1.00 0.00 C ATOM 585 CG PRO A 40 19.049 -4.623 -9.165 1.00 0.00 C ATOM 586 CD PRO A 40 18.534 -5.779 -8.353 1.00 0.00 C ATOM 0 HA PRO A 40 16.515 -3.401 -7.408 1.00 0.00 H new ATOM 0 HB2 PRO A 40 18.260 -2.651 -9.435 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.853 -2.971 -7.817 1.00 0.00 H new ATOM 0 HG2 PRO A 40 18.859 -4.777 -10.227 1.00 0.00 H new ATOM 0 HG3 PRO A 40 20.127 -4.513 -9.047 1.00 0.00 H new ATOM 0 HD2 PRO A 40 18.509 -6.700 -8.936 1.00 0.00 H new ATOM 0 HD3 PRO A 40 19.162 -5.970 -7.483 1.00 0.00 H new ATOM 594 N TRP A 41 16.152 -4.465 -10.485 1.00 0.00 N ATOM 595 CA TRP A 41 15.271 -4.370 -11.644 1.00 0.00 C ATOM 596 C TRP A 41 14.099 -5.336 -11.516 1.00 0.00 C ATOM 597 O TRP A 41 13.615 -5.874 -12.512 1.00 0.00 O ATOM 598 CB TRP A 41 16.050 -4.660 -12.928 1.00 0.00 C ATOM 599 CG TRP A 41 17.159 -5.650 -12.739 1.00 0.00 C ATOM 600 CD1 TRP A 41 18.491 -5.375 -12.614 1.00 0.00 C ATOM 601 CD2 TRP A 41 17.032 -7.074 -12.655 1.00 0.00 C ATOM 602 NE1 TRP A 41 19.200 -6.542 -12.458 1.00 0.00 N ATOM 603 CE2 TRP A 41 18.328 -7.598 -12.479 1.00 0.00 C ATOM 604 CE3 TRP A 41 15.950 -7.957 -12.710 1.00 0.00 C ATOM 605 CZ2 TRP A 41 18.568 -8.965 -12.359 1.00 0.00 C ATOM 606 CZ3 TRP A 41 16.190 -9.313 -12.591 1.00 0.00 C ATOM 607 CH2 TRP A 41 17.490 -9.806 -12.416 1.00 0.00 C ATOM 0 H TRP A 41 16.917 -5.132 -10.590 1.00 0.00 H new ATOM 0 HA TRP A 41 14.878 -3.354 -11.689 1.00 0.00 H new ATOM 0 HB2 TRP A 41 15.362 -5.036 -13.685 1.00 0.00 H new ATOM 0 HB3 TRP A 41 16.466 -3.728 -13.311 1.00 0.00 H new ATOM 0 HD1 TRP A 41 18.924 -4.386 -12.635 1.00 0.00 H new ATOM 0 HE1 TRP A 41 20.211 -6.611 -12.345 1.00 0.00 H new ATOM 0 HE3 TRP A 41 14.944 -7.586 -12.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 19.569 -9.347 -12.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 15.361 -10.004 -12.634 1.00 0.00 H new ATOM 0 HH2 TRP A 41 17.644 -10.871 -12.324 1.00 0.00 H new ATOM 618 N ALA A 42 13.646 -5.551 -10.286 1.00 0.00 N ATOM 619 CA ALA A 42 12.528 -6.451 -10.029 1.00 0.00 C ATOM 620 C ALA A 42 11.205 -5.692 -10.013 1.00 0.00 C ATOM 621 O ALA A 42 10.939 -4.912 -9.099 1.00 0.00 O ATOM 622 CB ALA A 42 12.733 -7.187 -8.713 1.00 0.00 C ATOM 0 H ALA A 42 14.036 -5.114 -9.451 1.00 0.00 H new ATOM 0 HA ALA A 42 12.489 -7.181 -10.837 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.890 -7.855 -8.535 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.654 -7.769 -8.761 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.802 -6.465 -7.899 1.00 0.00 H new ATOM 628 N GLU A 43 10.381 -5.927 -11.029 1.00 0.00 N ATOM 629 CA GLU A 43 9.086 -5.263 -11.130 1.00 0.00 C ATOM 630 C GLU A 43 8.036 -5.990 -10.295 1.00 0.00 C ATOM 631 O GLU A 43 7.878 -7.207 -10.397 1.00 0.00 O ATOM 632 CB GLU A 43 8.635 -5.196 -12.591 1.00 0.00 C ATOM 633 CG GLU A 43 8.301 -6.553 -13.187 1.00 0.00 C ATOM 634 CD GLU A 43 8.522 -6.601 -14.687 1.00 0.00 C ATOM 635 OE1 GLU A 43 9.695 -6.668 -15.111 1.00 0.00 O ATOM 636 OE2 GLU A 43 7.523 -6.573 -15.436 1.00 0.00 O ATOM 0 H GLU A 43 10.586 -6.571 -11.793 1.00 0.00 H new ATOM 0 HA GLU A 43 9.195 -4.249 -10.744 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.759 -4.551 -12.663 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.422 -4.732 -13.185 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.914 -7.317 -12.708 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.261 -6.796 -12.969 1.00 0.00 H new ATOM 643 N VAL A 44 7.319 -5.235 -9.468 1.00 0.00 N ATOM 644 CA VAL A 44 6.283 -5.805 -8.615 1.00 0.00 C ATOM 645 C VAL A 44 4.910 -5.249 -8.973 1.00 0.00 C ATOM 646 O VAL A 44 4.799 -4.235 -9.662 1.00 0.00 O ATOM 647 CB VAL A 44 6.566 -5.528 -7.127 1.00 0.00 C ATOM 648 CG1 VAL A 44 7.962 -6.000 -6.751 1.00 0.00 C ATOM 649 CG2 VAL A 44 6.394 -4.048 -6.819 1.00 0.00 C ATOM 0 H VAL A 44 7.437 -4.227 -9.371 1.00 0.00 H new ATOM 0 HA VAL A 44 6.291 -6.882 -8.783 1.00 0.00 H new ATOM 0 HB VAL A 44 5.847 -6.087 -6.528 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.143 -5.796 -5.696 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.045 -7.072 -6.933 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.700 -5.472 -7.355 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.598 -3.870 -5.763 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.089 -3.467 -7.426 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.372 -3.745 -7.047 1.00 0.00 H new ATOM 659 N ARG A 45 3.864 -5.920 -8.499 1.00 0.00 N ATOM 660 CA ARG A 45 2.497 -5.493 -8.769 1.00 0.00 C ATOM 661 C ARG A 45 1.595 -5.766 -7.569 1.00 0.00 C ATOM 662 O ARG A 45 1.490 -6.901 -7.105 1.00 0.00 O ATOM 663 CB ARG A 45 1.951 -6.211 -10.005 1.00 0.00 C ATOM 664 CG ARG A 45 0.459 -6.009 -10.217 1.00 0.00 C ATOM 665 CD ARG A 45 -0.038 -6.768 -11.437 1.00 0.00 C ATOM 666 NE ARG A 45 0.273 -8.193 -11.359 1.00 0.00 N ATOM 667 CZ ARG A 45 0.186 -9.022 -12.394 1.00 0.00 C ATOM 668 NH1 ARG A 45 -0.199 -8.570 -13.579 1.00 0.00 N ATOM 669 NH2 ARG A 45 0.486 -10.306 -12.244 1.00 0.00 N ATOM 0 H ARG A 45 3.938 -6.761 -7.927 1.00 0.00 H new ATOM 0 HA ARG A 45 2.508 -4.419 -8.956 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.486 -5.857 -10.886 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.156 -7.278 -9.915 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.084 -6.344 -9.333 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.248 -4.946 -10.337 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.116 -6.637 -11.531 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.414 -6.347 -12.335 1.00 0.00 H new ATOM 0 HE ARG A 45 0.573 -8.573 -10.461 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.429 -7.584 -13.698 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.265 -9.209 -14.372 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.784 -10.657 -11.334 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.419 -10.942 -13.039 1.00 0.00 H new ATOM 683 N TRP A 46 0.948 -4.718 -7.072 1.00 0.00 N ATOM 684 CA TRP A 46 0.056 -4.845 -5.925 1.00 0.00 C ATOM 685 C TRP A 46 -1.369 -5.150 -6.375 1.00 0.00 C ATOM 686 O TRP A 46 -1.884 -4.530 -7.306 1.00 0.00 O ATOM 687 CB TRP A 46 0.077 -3.562 -5.092 1.00 0.00 C ATOM 688 CG TRP A 46 1.453 -3.157 -4.660 1.00 0.00 C ATOM 689 CD1 TRP A 46 2.417 -2.576 -5.433 1.00 0.00 C ATOM 690 CD2 TRP A 46 2.019 -3.305 -3.353 1.00 0.00 C ATOM 691 NE1 TRP A 46 3.549 -2.353 -4.686 1.00 0.00 N ATOM 692 CE2 TRP A 46 3.330 -2.791 -3.406 1.00 0.00 C ATOM 693 CE3 TRP A 46 1.546 -3.819 -2.143 1.00 0.00 C ATOM 694 CZ2 TRP A 46 4.170 -2.779 -2.296 1.00 0.00 C ATOM 695 CZ3 TRP A 46 2.381 -3.806 -1.042 1.00 0.00 C ATOM 696 CH2 TRP A 46 3.680 -3.289 -1.124 1.00 0.00 C ATOM 0 H TRP A 46 1.024 -3.772 -7.445 1.00 0.00 H new ATOM 0 HA TRP A 46 0.409 -5.674 -5.312 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.367 -2.753 -5.673 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.547 -3.700 -4.209 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.306 -2.328 -6.478 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.412 -1.930 -5.029 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.546 -4.219 -2.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.172 -2.382 -2.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.026 -4.201 -0.102 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.308 -3.293 -0.245 1.00 0.00 H new ATOM 707 N THR A 47 -2.002 -6.111 -5.708 1.00 0.00 N ATOM 708 CA THR A 47 -3.367 -6.499 -6.041 1.00 0.00 C ATOM 709 C THR A 47 -4.274 -6.419 -4.818 1.00 0.00 C ATOM 710 O THR A 47 -3.940 -6.930 -3.749 1.00 0.00 O ATOM 711 CB THR A 47 -3.421 -7.928 -6.613 1.00 0.00 C ATOM 712 OG1 THR A 47 -2.861 -8.853 -5.675 1.00 0.00 O ATOM 713 CG2 THR A 47 -2.664 -8.012 -7.930 1.00 0.00 C ATOM 0 H THR A 47 -1.591 -6.634 -4.935 1.00 0.00 H new ATOM 0 HA THR A 47 -3.719 -5.799 -6.799 1.00 0.00 H new ATOM 0 HB THR A 47 -4.465 -8.184 -6.795 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.926 -8.481 -4.771 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.716 -9.030 -8.315 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.112 -7.328 -8.651 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.621 -7.738 -7.769 1.00 0.00 H new ATOM 721 N LYS A 48 -5.425 -5.775 -4.982 1.00 0.00 N ATOM 722 CA LYS A 48 -6.383 -5.629 -3.893 1.00 0.00 C ATOM 723 C LYS A 48 -7.523 -6.633 -4.033 1.00 0.00 C ATOM 724 O LYS A 48 -8.511 -6.372 -4.719 1.00 0.00 O ATOM 725 CB LYS A 48 -6.943 -4.205 -3.866 1.00 0.00 C ATOM 726 CG LYS A 48 -7.593 -3.832 -2.545 1.00 0.00 C ATOM 727 CD LYS A 48 -7.988 -2.365 -2.512 1.00 0.00 C ATOM 728 CE LYS A 48 -8.871 -2.052 -1.314 1.00 0.00 C ATOM 729 NZ LYS A 48 -10.294 -2.412 -1.565 1.00 0.00 N ATOM 0 H LYS A 48 -5.717 -5.346 -5.860 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.862 -5.826 -2.956 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.136 -3.502 -4.076 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.676 -4.097 -4.665 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.476 -4.451 -2.385 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.904 -4.043 -1.727 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.091 -1.746 -2.476 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.515 -2.108 -3.431 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.507 -2.596 -0.442 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.801 -0.990 -1.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.863 -2.183 -0.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.649 -1.874 -2.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.365 -3.430 -1.764 1.00 0.00 H new ATOM 743 N ASP A 49 -7.379 -7.779 -3.377 1.00 0.00 N ATOM 744 CA ASP A 49 -8.399 -8.821 -3.427 1.00 0.00 C ATOM 745 C ASP A 49 -8.390 -9.525 -4.780 1.00 0.00 C ATOM 746 O ASP A 49 -9.439 -9.897 -5.304 1.00 0.00 O ATOM 747 CB ASP A 49 -9.781 -8.225 -3.156 1.00 0.00 C ATOM 748 CG ASP A 49 -10.722 -9.218 -2.504 1.00 0.00 C ATOM 749 OD1 ASP A 49 -10.760 -10.383 -2.952 1.00 0.00 O ATOM 750 OD2 ASP A 49 -11.421 -8.831 -1.544 1.00 0.00 O ATOM 0 H ASP A 49 -6.567 -8.010 -2.805 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.172 -9.556 -2.654 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.677 -7.351 -2.513 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.215 -7.880 -4.094 1.00 0.00 H new ATOM 755 N GLY A 50 -7.198 -9.705 -5.341 1.00 0.00 N ATOM 756 CA GLY A 50 -7.076 -10.363 -6.628 1.00 0.00 C ATOM 757 C GLY A 50 -7.010 -9.379 -7.779 1.00 0.00 C ATOM 758 O GLY A 50 -6.400 -9.659 -8.809 1.00 0.00 O ATOM 0 H GLY A 50 -6.315 -9.407 -4.927 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.179 -10.983 -6.632 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.925 -11.031 -6.773 1.00 0.00 H new ATOM 762 N GLU A 51 -7.643 -8.222 -7.603 1.00 0.00 N ATOM 763 CA GLU A 51 -7.655 -7.194 -8.637 1.00 0.00 C ATOM 764 C GLU A 51 -6.363 -6.383 -8.613 1.00 0.00 C ATOM 765 O GLU A 51 -5.804 -6.120 -7.549 1.00 0.00 O ATOM 766 CB GLU A 51 -8.857 -6.266 -8.450 1.00 0.00 C ATOM 767 CG GLU A 51 -10.141 -6.803 -9.060 1.00 0.00 C ATOM 768 CD GLU A 51 -11.381 -6.288 -8.355 1.00 0.00 C ATOM 769 OE1 GLU A 51 -11.394 -5.102 -7.965 1.00 0.00 O ATOM 770 OE2 GLU A 51 -12.340 -7.073 -8.194 1.00 0.00 O ATOM 0 H GLU A 51 -8.153 -7.974 -6.755 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.734 -7.689 -9.605 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.013 -6.098 -7.384 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.630 -5.297 -8.895 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.183 -6.523 -10.113 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.130 -7.892 -9.020 1.00 0.00 H new ATOM 777 N GLU A 52 -5.896 -5.990 -9.794 1.00 0.00 N ATOM 778 CA GLU A 52 -4.669 -5.210 -9.908 1.00 0.00 C ATOM 779 C GLU A 52 -4.948 -3.724 -9.700 1.00 0.00 C ATOM 780 O GLU A 52 -5.612 -3.085 -10.517 1.00 0.00 O ATOM 781 CB GLU A 52 -4.023 -5.432 -11.277 1.00 0.00 C ATOM 782 CG GLU A 52 -2.886 -4.469 -11.576 1.00 0.00 C ATOM 783 CD GLU A 52 -2.608 -4.339 -13.061 1.00 0.00 C ATOM 784 OE1 GLU A 52 -2.872 -5.308 -13.802 1.00 0.00 O ATOM 785 OE2 GLU A 52 -2.126 -3.266 -13.482 1.00 0.00 O ATOM 0 H GLU A 52 -6.348 -6.199 -10.684 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.982 -5.545 -9.131 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.647 -6.454 -11.331 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.785 -5.332 -12.050 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.129 -3.488 -11.168 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.983 -4.810 -11.069 1.00 0.00 H new ATOM 792 N VAL A 53 -4.437 -3.180 -8.600 1.00 0.00 N ATOM 793 CA VAL A 53 -4.630 -1.770 -8.283 1.00 0.00 C ATOM 794 C VAL A 53 -4.220 -0.883 -9.454 1.00 0.00 C ATOM 795 O VAL A 53 -3.282 -1.198 -10.187 1.00 0.00 O ATOM 796 CB VAL A 53 -3.825 -1.359 -7.036 1.00 0.00 C ATOM 797 CG1 VAL A 53 -4.259 -2.175 -5.828 1.00 0.00 C ATOM 798 CG2 VAL A 53 -2.333 -1.518 -7.289 1.00 0.00 C ATOM 0 H VAL A 53 -3.886 -3.695 -7.913 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.692 -1.634 -8.081 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.025 -0.308 -6.826 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.680 -1.871 -4.956 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.319 -2.006 -5.636 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.090 -3.234 -6.024 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.779 -1.223 -6.398 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.113 -2.559 -7.525 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.036 -0.886 -8.126 1.00 0.00 H new ATOM 808 N VAL A 54 -4.929 0.228 -9.624 1.00 0.00 N ATOM 809 CA VAL A 54 -4.639 1.163 -10.705 1.00 0.00 C ATOM 810 C VAL A 54 -4.316 2.550 -10.160 1.00 0.00 C ATOM 811 O VAL A 54 -5.116 3.145 -9.439 1.00 0.00 O ATOM 812 CB VAL A 54 -5.821 1.271 -11.686 1.00 0.00 C ATOM 813 CG1 VAL A 54 -7.080 1.719 -10.959 1.00 0.00 C ATOM 814 CG2 VAL A 54 -5.484 2.224 -12.822 1.00 0.00 C ATOM 0 H VAL A 54 -5.709 0.503 -9.027 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.771 0.773 -11.236 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.008 0.285 -12.112 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.904 1.790 -11.669 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.330 0.995 -10.184 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.909 2.694 -10.503 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.330 2.289 -13.506 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.269 3.213 -12.416 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.610 1.855 -13.359 1.00 0.00 H new ATOM 824 N GLU A 55 -3.139 3.058 -10.510 1.00 0.00 N ATOM 825 CA GLU A 55 -2.710 4.375 -10.055 1.00 0.00 C ATOM 826 C GLU A 55 -3.895 5.334 -9.972 1.00 0.00 C ATOM 827 O GLU A 55 -4.840 5.238 -10.754 1.00 0.00 O ATOM 828 CB GLU A 55 -1.646 4.943 -10.997 1.00 0.00 C ATOM 829 CG GLU A 55 -0.227 4.554 -10.617 1.00 0.00 C ATOM 830 CD GLU A 55 0.704 4.502 -11.812 1.00 0.00 C ATOM 831 OE1 GLU A 55 0.719 3.465 -12.508 1.00 0.00 O ATOM 832 OE2 GLU A 55 1.417 5.499 -12.052 1.00 0.00 O ATOM 0 H GLU A 55 -2.466 2.578 -11.107 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.282 4.265 -9.059 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.849 4.598 -12.011 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.725 6.030 -11.008 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.160 5.269 -9.891 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.240 3.580 -10.129 1.00 0.00 H new ATOM 839 N SER A 56 -3.836 6.257 -9.018 1.00 0.00 N ATOM 840 CA SER A 56 -4.905 7.230 -8.828 1.00 0.00 C ATOM 841 C SER A 56 -4.501 8.290 -7.808 1.00 0.00 C ATOM 842 O SER A 56 -3.513 8.148 -7.086 1.00 0.00 O ATOM 843 CB SER A 56 -6.186 6.530 -8.373 1.00 0.00 C ATOM 844 OG SER A 56 -5.892 5.332 -7.675 1.00 0.00 O ATOM 0 H SER A 56 -3.059 6.352 -8.364 1.00 0.00 H new ATOM 0 HA SER A 56 -5.088 7.722 -9.783 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.760 7.197 -7.730 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.809 6.307 -9.239 1.00 0.00 H new ATOM 0 HG SER A 56 -5.780 4.599 -8.316 1.00 0.00 H new ATOM 850 N PRO A 57 -5.281 9.379 -7.745 1.00 0.00 N ATOM 851 CA PRO A 57 -5.026 10.484 -6.817 1.00 0.00 C ATOM 852 C PRO A 57 -5.286 10.094 -5.366 1.00 0.00 C ATOM 853 O PRO A 57 -5.232 10.935 -4.469 1.00 0.00 O ATOM 854 CB PRO A 57 -6.016 11.561 -7.267 1.00 0.00 C ATOM 855 CG PRO A 57 -7.118 10.810 -7.930 1.00 0.00 C ATOM 856 CD PRO A 57 -6.474 9.614 -8.576 1.00 0.00 C ATOM 0 HA PRO A 57 -3.985 10.806 -6.842 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.385 12.139 -6.419 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.548 12.266 -7.954 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.872 10.503 -7.205 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.622 11.430 -8.671 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.139 8.751 -8.577 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.208 9.813 -9.614 1.00 0.00 H new ATOM 864 N ALA A 58 -5.568 8.815 -5.143 1.00 0.00 N ATOM 865 CA ALA A 58 -5.834 8.314 -3.801 1.00 0.00 C ATOM 866 C ALA A 58 -4.870 7.191 -3.433 1.00 0.00 C ATOM 867 O ALA A 58 -4.760 6.810 -2.267 1.00 0.00 O ATOM 868 CB ALA A 58 -7.273 7.833 -3.692 1.00 0.00 C ATOM 0 H ALA A 58 -5.618 8.107 -5.875 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.682 9.133 -3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -7.457 7.462 -2.684 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.950 8.661 -3.903 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.444 7.032 -4.411 1.00 0.00 H new ATOM 874 N LEU A 59 -4.174 6.663 -4.434 1.00 0.00 N ATOM 875 CA LEU A 59 -3.219 5.583 -4.216 1.00 0.00 C ATOM 876 C LEU A 59 -1.918 5.846 -4.967 1.00 0.00 C ATOM 877 O LEU A 59 -1.824 5.605 -6.171 1.00 0.00 O ATOM 878 CB LEU A 59 -3.818 4.248 -4.663 1.00 0.00 C ATOM 879 CG LEU A 59 -2.881 3.041 -4.611 1.00 0.00 C ATOM 880 CD1 LEU A 59 -3.657 1.777 -4.271 1.00 0.00 C ATOM 881 CD2 LEU A 59 -2.148 2.878 -5.935 1.00 0.00 C ATOM 0 H LEU A 59 -4.253 6.966 -5.405 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.998 5.537 -3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.687 4.036 -4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.179 4.359 -5.686 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.143 3.212 -3.828 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.974 0.928 -4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.136 1.895 -3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.418 1.601 -5.032 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.485 2.014 -5.880 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.872 2.730 -6.736 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.561 3.773 -6.138 1.00 0.00 H new ATOM 893 N LEU A 60 -0.915 6.339 -4.248 1.00 0.00 N ATOM 894 CA LEU A 60 0.382 6.633 -4.846 1.00 0.00 C ATOM 895 C LEU A 60 1.332 5.449 -4.695 1.00 0.00 C ATOM 896 O LEU A 60 1.558 4.957 -3.589 1.00 0.00 O ATOM 897 CB LEU A 60 0.994 7.877 -4.199 1.00 0.00 C ATOM 898 CG LEU A 60 0.123 9.134 -4.205 1.00 0.00 C ATOM 899 CD1 LEU A 60 0.767 10.234 -3.375 1.00 0.00 C ATOM 900 CD2 LEU A 60 -0.118 9.610 -5.630 1.00 0.00 C ATOM 0 H LEU A 60 -0.976 6.543 -3.251 1.00 0.00 H new ATOM 0 HA LEU A 60 0.230 6.821 -5.909 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.245 7.638 -3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.929 8.105 -4.710 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.840 8.887 -3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.133 11.120 -3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.886 9.892 -2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.744 10.479 -3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.740 10.505 -5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.837 9.839 -6.103 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.624 8.827 -6.195 1.00 0.00 H new ATOM 912 N LEU A 61 1.887 4.997 -5.814 1.00 0.00 N ATOM 913 CA LEU A 61 2.815 3.871 -5.807 1.00 0.00 C ATOM 914 C LEU A 61 4.260 4.357 -5.793 1.00 0.00 C ATOM 915 O LEU A 61 4.740 4.934 -6.768 1.00 0.00 O ATOM 916 CB LEU A 61 2.576 2.980 -7.028 1.00 0.00 C ATOM 917 CG LEU A 61 1.183 2.361 -7.145 1.00 0.00 C ATOM 918 CD1 LEU A 61 1.125 1.397 -8.320 1.00 0.00 C ATOM 919 CD2 LEU A 61 0.804 1.653 -5.852 1.00 0.00 C ATOM 0 H LEU A 61 1.711 5.393 -6.738 1.00 0.00 H new ATOM 0 HA LEU A 61 2.637 3.291 -4.901 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.767 3.569 -7.925 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.310 2.174 -7.014 1.00 0.00 H new ATOM 0 HG LEU A 61 0.464 3.161 -7.322 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.126 0.966 -8.388 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.353 1.933 -9.242 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.855 0.601 -8.174 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.190 1.218 -5.953 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.526 0.863 -5.645 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.805 2.370 -5.031 1.00 0.00 H new ATOM 931 N GLN A 62 4.949 4.118 -4.682 1.00 0.00 N ATOM 932 CA GLN A 62 6.341 4.530 -4.542 1.00 0.00 C ATOM 933 C GLN A 62 7.285 3.404 -4.947 1.00 0.00 C ATOM 934 O GLN A 62 6.985 2.226 -4.751 1.00 0.00 O ATOM 935 CB GLN A 62 6.626 4.957 -3.101 1.00 0.00 C ATOM 936 CG GLN A 62 5.824 6.169 -2.656 1.00 0.00 C ATOM 937 CD GLN A 62 5.724 7.231 -3.734 1.00 0.00 C ATOM 938 OE1 GLN A 62 6.696 7.515 -4.434 1.00 0.00 O ATOM 939 NE2 GLN A 62 4.544 7.824 -3.873 1.00 0.00 N ATOM 0 H GLN A 62 4.566 3.641 -3.866 1.00 0.00 H new ATOM 0 HA GLN A 62 6.511 5.378 -5.205 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.409 4.123 -2.434 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.689 5.178 -3.000 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.821 5.851 -2.370 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.287 6.600 -1.768 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.765 7.557 -3.271 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.417 8.546 -4.582 1.00 0.00 H new ATOM 948 N LYS A 63 8.429 3.773 -5.515 1.00 0.00 N ATOM 949 CA LYS A 63 9.419 2.794 -5.948 1.00 0.00 C ATOM 950 C LYS A 63 10.833 3.283 -5.650 1.00 0.00 C ATOM 951 O LYS A 63 11.271 4.304 -6.180 1.00 0.00 O ATOM 952 CB LYS A 63 9.270 2.515 -7.445 1.00 0.00 C ATOM 953 CG LYS A 63 7.840 2.234 -7.872 1.00 0.00 C ATOM 954 CD LYS A 63 7.587 2.676 -9.303 1.00 0.00 C ATOM 955 CE LYS A 63 6.099 2.748 -9.610 1.00 0.00 C ATOM 956 NZ LYS A 63 5.842 3.199 -11.006 1.00 0.00 N ATOM 0 H LYS A 63 8.693 4.743 -5.686 1.00 0.00 H new ATOM 0 HA LYS A 63 9.247 1.871 -5.394 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.646 3.371 -8.005 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.894 1.662 -7.711 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.634 1.168 -7.778 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.152 2.751 -7.204 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.041 3.653 -9.469 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.068 1.980 -9.990 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.649 1.767 -9.456 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.617 3.433 -8.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.817 3.235 -11.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.250 4.146 -11.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.280 2.532 -11.673 1.00 0.00 H new ATOM 970 N GLU A 64 11.542 2.547 -4.800 1.00 0.00 N ATOM 971 CA GLU A 64 12.907 2.907 -4.433 1.00 0.00 C ATOM 972 C GLU A 64 13.918 2.134 -5.275 1.00 0.00 C ATOM 973 O GLU A 64 13.548 1.404 -6.195 1.00 0.00 O ATOM 974 CB GLU A 64 13.148 2.632 -2.947 1.00 0.00 C ATOM 975 CG GLU A 64 14.097 3.622 -2.292 1.00 0.00 C ATOM 976 CD GLU A 64 13.793 3.835 -0.821 1.00 0.00 C ATOM 977 OE1 GLU A 64 12.959 4.710 -0.508 1.00 0.00 O ATOM 978 OE2 GLU A 64 14.390 3.126 0.016 1.00 0.00 O ATOM 0 H GLU A 64 11.194 1.699 -4.353 1.00 0.00 H new ATOM 0 HA GLU A 64 13.039 3.972 -4.624 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.193 2.655 -2.422 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.550 1.625 -2.833 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.121 3.264 -2.400 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.037 4.577 -2.814 1.00 0.00 H new ATOM 985 N ASP A 65 15.196 2.301 -4.954 1.00 0.00 N ATOM 986 CA ASP A 65 16.262 1.620 -5.680 1.00 0.00 C ATOM 987 C ASP A 65 15.980 0.124 -5.782 1.00 0.00 C ATOM 988 O ASP A 65 15.664 -0.388 -6.856 1.00 0.00 O ATOM 989 CB ASP A 65 17.607 1.852 -4.990 1.00 0.00 C ATOM 990 CG ASP A 65 18.765 1.869 -5.969 1.00 0.00 C ATOM 991 OD1 ASP A 65 18.955 0.861 -6.681 1.00 0.00 O ATOM 992 OD2 ASP A 65 19.481 2.891 -6.024 1.00 0.00 O ATOM 0 H ASP A 65 15.519 2.902 -4.196 1.00 0.00 H new ATOM 0 HA ASP A 65 16.303 2.033 -6.688 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.577 2.799 -4.451 1.00 0.00 H new ATOM 0 HB3 ASP A 65 17.772 1.069 -4.250 1.00 0.00 H new ATOM 997 N THR A 66 16.098 -0.573 -4.656 1.00 0.00 N ATOM 998 CA THR A 66 15.859 -2.010 -4.618 1.00 0.00 C ATOM 999 C THR A 66 14.651 -2.344 -3.750 1.00 0.00 C ATOM 1000 O THR A 66 14.320 -3.513 -3.552 1.00 0.00 O ATOM 1001 CB THR A 66 17.087 -2.771 -4.084 1.00 0.00 C ATOM 1002 OG1 THR A 66 17.636 -2.083 -2.954 1.00 0.00 O ATOM 1003 CG2 THR A 66 18.149 -2.911 -5.164 1.00 0.00 C ATOM 0 H THR A 66 16.358 -0.165 -3.758 1.00 0.00 H new ATOM 0 HA THR A 66 15.664 -2.324 -5.643 1.00 0.00 H new ATOM 0 HB THR A 66 16.766 -3.768 -3.781 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.415 -2.574 -2.619 1.00 0.00 H new ATOM 0 HG21 THR A 66 19.006 -3.452 -4.763 1.00 0.00 H new ATOM 0 HG22 THR A 66 17.737 -3.460 -6.010 1.00 0.00 H new ATOM 0 HG23 THR A 66 18.466 -1.921 -5.493 1.00 0.00 H new ATOM 1011 N VAL A 67 13.996 -1.309 -3.233 1.00 0.00 N ATOM 1012 CA VAL A 67 12.823 -1.493 -2.386 1.00 0.00 C ATOM 1013 C VAL A 67 11.643 -0.674 -2.897 1.00 0.00 C ATOM 1014 O VAL A 67 11.812 0.449 -3.371 1.00 0.00 O ATOM 1015 CB VAL A 67 13.116 -1.095 -0.927 1.00 0.00 C ATOM 1016 CG1 VAL A 67 13.891 0.213 -0.876 1.00 0.00 C ATOM 1017 CG2 VAL A 67 11.822 -0.990 -0.134 1.00 0.00 C ATOM 0 H VAL A 67 14.258 -0.335 -3.386 1.00 0.00 H new ATOM 0 HA VAL A 67 12.570 -2.553 -2.422 1.00 0.00 H new ATOM 0 HB VAL A 67 13.731 -1.872 -0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 67 14.089 0.478 0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 67 14.836 0.097 -1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.304 1.002 -1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 67 12.047 -0.708 0.894 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.179 -0.234 -0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.311 -1.953 -0.143 1.00 0.00 H new ATOM 1027 N ARG A 68 10.447 -1.245 -2.798 1.00 0.00 N ATOM 1028 CA ARG A 68 9.237 -0.568 -3.251 1.00 0.00 C ATOM 1029 C ARG A 68 8.341 -0.208 -2.070 1.00 0.00 C ATOM 1030 O ARG A 68 8.401 -0.842 -1.016 1.00 0.00 O ATOM 1031 CB ARG A 68 8.471 -1.453 -4.236 1.00 0.00 C ATOM 1032 CG ARG A 68 9.293 -1.877 -5.441 1.00 0.00 C ATOM 1033 CD ARG A 68 9.553 -0.708 -6.378 1.00 0.00 C ATOM 1034 NE ARG A 68 10.090 -1.145 -7.664 1.00 0.00 N ATOM 1035 CZ ARG A 68 9.333 -1.576 -8.667 1.00 0.00 C ATOM 1036 NH1 ARG A 68 8.015 -1.626 -8.535 1.00 0.00 N ATOM 1037 NH2 ARG A 68 9.896 -1.957 -9.807 1.00 0.00 N ATOM 0 H ARG A 68 10.290 -2.174 -2.408 1.00 0.00 H new ATOM 0 HA ARG A 68 9.532 0.353 -3.754 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.121 -2.344 -3.714 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.587 -0.917 -4.581 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.243 -2.294 -5.106 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.770 -2.667 -5.980 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.625 -0.160 -6.540 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.253 -0.017 -5.909 1.00 0.00 H new ATOM 0 HE ARG A 68 11.101 -1.118 -7.799 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.579 -1.333 -7.661 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.437 -1.958 -9.307 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.910 -1.919 -9.913 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.315 -2.288 -10.577 1.00 0.00 H new ATOM 1051 N ARG A 69 7.511 0.814 -2.253 1.00 0.00 N ATOM 1052 CA ARG A 69 6.604 1.260 -1.203 1.00 0.00 C ATOM 1053 C ARG A 69 5.300 1.784 -1.797 1.00 0.00 C ATOM 1054 O ARG A 69 5.279 2.303 -2.914 1.00 0.00 O ATOM 1055 CB ARG A 69 7.266 2.348 -0.356 1.00 0.00 C ATOM 1056 CG ARG A 69 8.388 1.833 0.531 1.00 0.00 C ATOM 1057 CD ARG A 69 8.611 2.740 1.731 1.00 0.00 C ATOM 1058 NE ARG A 69 9.981 2.658 2.231 1.00 0.00 N ATOM 1059 CZ ARG A 69 10.555 3.609 2.959 1.00 0.00 C ATOM 1060 NH1 ARG A 69 9.881 4.708 3.271 1.00 0.00 N ATOM 1061 NH2 ARG A 69 11.805 3.463 3.378 1.00 0.00 N ATOM 0 H ARG A 69 7.448 1.349 -3.119 1.00 0.00 H new ATOM 0 HA ARG A 69 6.375 0.404 -0.568 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.662 3.120 -1.016 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.508 2.821 0.269 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.149 0.826 0.874 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.308 1.762 -0.049 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.387 3.770 1.454 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.918 2.466 2.526 1.00 0.00 H new ATOM 0 HE ARG A 69 10.526 1.825 2.009 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.919 4.824 2.952 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.324 5.437 3.830 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.327 2.619 3.141 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.244 4.194 3.937 1.00 0.00 H new ATOM 1075 N LEU A 70 4.215 1.646 -1.043 1.00 0.00 N ATOM 1076 CA LEU A 70 2.906 2.106 -1.495 1.00 0.00 C ATOM 1077 C LEU A 70 2.328 3.136 -0.530 1.00 0.00 C ATOM 1078 O LEU A 70 1.882 2.795 0.566 1.00 0.00 O ATOM 1079 CB LEU A 70 1.947 0.922 -1.630 1.00 0.00 C ATOM 1080 CG LEU A 70 0.458 1.247 -1.500 1.00 0.00 C ATOM 1081 CD1 LEU A 70 0.032 2.237 -2.572 1.00 0.00 C ATOM 1082 CD2 LEU A 70 -0.374 -0.025 -1.583 1.00 0.00 C ATOM 0 H LEU A 70 4.215 1.220 -0.116 1.00 0.00 H new ATOM 0 HA LEU A 70 3.030 2.578 -2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.113 0.454 -2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.205 0.183 -0.872 1.00 0.00 H new ATOM 0 HG LEU A 70 0.289 1.705 -0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.030 2.456 -2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.605 3.158 -2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.215 1.808 -3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.431 0.225 -1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.200 -0.511 -2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.087 -0.700 -0.777 1.00 0.00 H new ATOM 1094 N VAL A 71 2.337 4.399 -0.945 1.00 0.00 N ATOM 1095 CA VAL A 71 1.811 5.479 -0.119 1.00 0.00 C ATOM 1096 C VAL A 71 0.417 5.893 -0.579 1.00 0.00 C ATOM 1097 O VAL A 71 0.159 6.022 -1.777 1.00 0.00 O ATOM 1098 CB VAL A 71 2.736 6.710 -0.148 1.00 0.00 C ATOM 1099 CG1 VAL A 71 2.155 7.835 0.694 1.00 0.00 C ATOM 1100 CG2 VAL A 71 4.131 6.339 0.332 1.00 0.00 C ATOM 0 H VAL A 71 2.703 4.699 -1.849 1.00 0.00 H new ATOM 0 HA VAL A 71 1.756 5.099 0.901 1.00 0.00 H new ATOM 0 HB VAL A 71 2.812 7.061 -1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.823 8.696 0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.179 8.117 0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.047 7.499 1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.771 7.221 0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.076 5.961 1.353 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.546 5.569 -0.318 1.00 0.00 H new ATOM 1110 N LEU A 72 -0.478 6.101 0.380 1.00 0.00 N ATOM 1111 CA LEU A 72 -1.847 6.502 0.074 1.00 0.00 C ATOM 1112 C LEU A 72 -2.173 7.852 0.705 1.00 0.00 C ATOM 1113 O LEU A 72 -2.440 7.957 1.903 1.00 0.00 O ATOM 1114 CB LEU A 72 -2.833 5.443 0.570 1.00 0.00 C ATOM 1115 CG LEU A 72 -2.810 4.105 -0.170 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -1.551 3.325 0.176 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -4.052 3.291 0.161 1.00 0.00 C ATOM 0 H LEU A 72 -0.281 5.999 1.376 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.938 6.596 -1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.633 5.255 1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.840 5.854 0.505 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.806 4.304 -1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.552 2.376 -0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.674 3.904 -0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.524 3.136 1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.019 2.342 -0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.087 3.101 1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.941 3.846 -0.139 1.00 0.00 H new ATOM 1129 N PRO A 73 -2.154 8.911 -0.118 1.00 0.00 N ATOM 1130 CA PRO A 73 -2.448 10.273 0.337 1.00 0.00 C ATOM 1131 C PRO A 73 -3.917 10.458 0.700 1.00 0.00 C ATOM 1132 O PRO A 73 -4.305 11.489 1.250 1.00 0.00 O ATOM 1133 CB PRO A 73 -2.083 11.137 -0.872 1.00 0.00 C ATOM 1134 CG PRO A 73 -2.227 10.229 -2.044 1.00 0.00 C ATOM 1135 CD PRO A 73 -1.844 8.859 -1.557 1.00 0.00 C ATOM 0 HA PRO A 73 -1.897 10.528 1.242 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.744 12.000 -0.956 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.066 11.521 -0.791 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.250 10.237 -2.421 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.583 10.546 -2.864 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.413 8.079 -2.063 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.789 8.650 -1.734 1.00 0.00 H new ATOM 1143 N ALA A 74 -4.730 9.453 0.390 1.00 0.00 N ATOM 1144 CA ALA A 74 -6.156 9.505 0.686 1.00 0.00 C ATOM 1145 C ALA A 74 -6.777 8.113 0.642 1.00 0.00 C ATOM 1146 O ALA A 74 -6.989 7.550 -0.432 1.00 0.00 O ATOM 1147 CB ALA A 74 -6.865 10.432 -0.290 1.00 0.00 C ATOM 0 H ALA A 74 -4.425 8.593 -0.066 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.278 9.897 1.696 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.929 10.461 -0.057 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.448 11.436 -0.207 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.726 10.065 -1.307 1.00 0.00 H new ATOM 1153 N VAL A 75 -7.067 7.562 1.817 1.00 0.00 N ATOM 1154 CA VAL A 75 -7.664 6.235 1.912 1.00 0.00 C ATOM 1155 C VAL A 75 -9.156 6.324 2.213 1.00 0.00 C ATOM 1156 O VAL A 75 -9.702 7.416 2.374 1.00 0.00 O ATOM 1157 CB VAL A 75 -6.981 5.390 3.004 1.00 0.00 C ATOM 1158 CG1 VAL A 75 -5.496 5.710 3.077 1.00 0.00 C ATOM 1159 CG2 VAL A 75 -7.651 5.618 4.351 1.00 0.00 C ATOM 0 H VAL A 75 -6.898 8.014 2.716 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.519 5.753 0.945 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.088 4.337 2.744 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.031 5.103 3.854 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.029 5.491 2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.362 6.766 3.312 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.156 5.013 5.111 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.577 6.672 4.621 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.701 5.333 4.288 1.00 0.00 H new ATOM 1169 N GLN A 76 -9.809 5.169 2.287 1.00 0.00 N ATOM 1170 CA GLN A 76 -11.239 5.118 2.568 1.00 0.00 C ATOM 1171 C GLN A 76 -11.593 3.862 3.359 1.00 0.00 C ATOM 1172 O GLN A 76 -10.933 2.830 3.233 1.00 0.00 O ATOM 1173 CB GLN A 76 -12.038 5.156 1.264 1.00 0.00 C ATOM 1174 CG GLN A 76 -11.637 6.292 0.338 1.00 0.00 C ATOM 1175 CD GLN A 76 -10.485 5.922 -0.575 1.00 0.00 C ATOM 1176 OE1 GLN A 76 -10.568 4.960 -1.339 1.00 0.00 O ATOM 1177 NE2 GLN A 76 -9.402 6.686 -0.502 1.00 0.00 N ATOM 0 H GLN A 76 -9.371 4.257 2.156 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.497 5.990 3.169 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.908 4.209 0.741 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -13.098 5.248 1.500 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -12.496 6.583 -0.267 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -11.358 7.161 0.935 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.376 7.474 0.146 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.596 6.485 -1.094 1.00 0.00 H new ATOM 1186 N LEU A 77 -12.638 3.958 4.173 1.00 0.00 N ATOM 1187 CA LEU A 77 -13.080 2.830 4.986 1.00 0.00 C ATOM 1188 C LEU A 77 -13.296 1.590 4.124 1.00 0.00 C ATOM 1189 O LEU A 77 -13.041 0.468 4.561 1.00 0.00 O ATOM 1190 CB LEU A 77 -14.373 3.183 5.724 1.00 0.00 C ATOM 1191 CG LEU A 77 -14.340 4.462 6.561 1.00 0.00 C ATOM 1192 CD1 LEU A 77 -15.708 4.742 7.163 1.00 0.00 C ATOM 1193 CD2 LEU A 77 -13.286 4.356 7.654 1.00 0.00 C ATOM 0 H LEU A 77 -13.195 4.805 4.288 1.00 0.00 H new ATOM 0 HA LEU A 77 -12.300 2.612 5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.174 3.274 4.990 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.633 2.351 6.378 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.076 5.294 5.908 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -15.665 5.656 7.755 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.440 4.862 6.364 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -16.002 3.909 7.802 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -13.276 5.275 8.240 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.520 3.513 8.304 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.306 4.204 7.201 1.00 0.00 H new ATOM 1205 N GLU A 78 -13.764 1.801 2.898 1.00 0.00 N ATOM 1206 CA GLU A 78 -14.012 0.700 1.976 1.00 0.00 C ATOM 1207 C GLU A 78 -12.700 0.077 1.507 1.00 0.00 C ATOM 1208 O GLU A 78 -12.605 -1.139 1.335 1.00 0.00 O ATOM 1209 CB GLU A 78 -14.818 1.187 0.769 1.00 0.00 C ATOM 1210 CG GLU A 78 -16.269 1.498 1.092 1.00 0.00 C ATOM 1211 CD GLU A 78 -17.102 0.248 1.298 1.00 0.00 C ATOM 1212 OE1 GLU A 78 -16.757 -0.554 2.191 1.00 0.00 O ATOM 1213 OE2 GLU A 78 -18.099 0.071 0.567 1.00 0.00 O ATOM 0 H GLU A 78 -13.979 2.724 2.521 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.587 -0.060 2.505 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.345 2.082 0.364 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.783 0.427 -0.011 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.313 2.112 1.992 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -16.699 2.087 0.282 1.00 0.00 H new ATOM 1220 N ASP A 79 -11.693 0.918 1.303 1.00 0.00 N ATOM 1221 CA ASP A 79 -10.386 0.451 0.855 1.00 0.00 C ATOM 1222 C ASP A 79 -9.829 -0.602 1.808 1.00 0.00 C ATOM 1223 O ASP A 79 -9.161 -1.545 1.385 1.00 0.00 O ATOM 1224 CB ASP A 79 -9.412 1.625 0.745 1.00 0.00 C ATOM 1225 CG ASP A 79 -9.731 2.535 -0.424 1.00 0.00 C ATOM 1226 OD1 ASP A 79 -10.911 2.589 -0.828 1.00 0.00 O ATOM 1227 OD2 ASP A 79 -8.800 3.192 -0.936 1.00 0.00 O ATOM 0 H ASP A 79 -11.756 1.927 1.441 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.507 -0.004 -0.128 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.438 2.203 1.669 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.397 1.242 0.637 1.00 0.00 H new ATOM 1232 N SER A 80 -10.107 -0.433 3.097 1.00 0.00 N ATOM 1233 CA SER A 80 -9.630 -1.365 4.111 1.00 0.00 C ATOM 1234 C SER A 80 -9.895 -2.808 3.690 1.00 0.00 C ATOM 1235 O SER A 80 -11.043 -3.215 3.517 1.00 0.00 O ATOM 1236 CB SER A 80 -10.306 -1.082 5.454 1.00 0.00 C ATOM 1237 OG SER A 80 -11.676 -1.444 5.421 1.00 0.00 O ATOM 0 H SER A 80 -10.661 0.341 3.463 1.00 0.00 H new ATOM 0 HA SER A 80 -8.554 -1.227 4.218 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.799 -1.636 6.244 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.212 -0.023 5.696 1.00 0.00 H new ATOM 0 HG SER A 80 -12.142 -0.902 4.751 1.00 0.00 H new ATOM 1243 N GLY A 81 -8.822 -3.576 3.526 1.00 0.00 N ATOM 1244 CA GLY A 81 -8.958 -4.965 3.126 1.00 0.00 C ATOM 1245 C GLY A 81 -7.656 -5.732 3.242 1.00 0.00 C ATOM 1246 O GLY A 81 -6.971 -5.653 4.261 1.00 0.00 O ATOM 0 H GLY A 81 -7.861 -3.261 3.663 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.716 -5.446 3.745 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.312 -5.010 2.096 1.00 0.00 H new ATOM 1250 N GLU A 82 -7.314 -6.477 2.195 1.00 0.00 N ATOM 1251 CA GLU A 82 -6.087 -7.263 2.186 1.00 0.00 C ATOM 1252 C GLU A 82 -5.194 -6.864 1.015 1.00 0.00 C ATOM 1253 O GLU A 82 -5.465 -7.213 -0.134 1.00 0.00 O ATOM 1254 CB GLU A 82 -6.411 -8.756 2.108 1.00 0.00 C ATOM 1255 CG GLU A 82 -5.369 -9.641 2.771 1.00 0.00 C ATOM 1256 CD GLU A 82 -5.730 -11.113 2.711 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -6.682 -11.519 3.410 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -5.061 -11.858 1.966 1.00 0.00 O ATOM 0 H GLU A 82 -7.870 -6.552 1.343 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.552 -7.063 3.114 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.378 -8.934 2.578 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.507 -9.044 1.061 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.405 -9.487 2.286 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.253 -9.341 3.813 1.00 0.00 H new ATOM 1265 N TYR A 83 -4.128 -6.130 1.315 1.00 0.00 N ATOM 1266 CA TYR A 83 -3.196 -5.680 0.287 1.00 0.00 C ATOM 1267 C TYR A 83 -2.131 -6.739 0.016 1.00 0.00 C ATOM 1268 O TYR A 83 -1.234 -6.957 0.832 1.00 0.00 O ATOM 1269 CB TYR A 83 -2.531 -4.369 0.711 1.00 0.00 C ATOM 1270 CG TYR A 83 -3.307 -3.137 0.301 1.00 0.00 C ATOM 1271 CD1 TYR A 83 -3.173 -2.599 -0.972 1.00 0.00 C ATOM 1272 CD2 TYR A 83 -4.175 -2.513 1.188 1.00 0.00 C ATOM 1273 CE1 TYR A 83 -3.879 -1.473 -1.350 1.00 0.00 C ATOM 1274 CE2 TYR A 83 -4.887 -1.388 0.819 1.00 0.00 C ATOM 1275 CZ TYR A 83 -4.735 -0.871 -0.451 1.00 0.00 C ATOM 1276 OH TYR A 83 -5.441 0.249 -0.824 1.00 0.00 O ATOM 0 H TYR A 83 -3.888 -5.834 2.261 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.759 -5.514 -0.631 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.408 -4.367 1.794 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.532 -4.321 0.277 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -2.505 -3.069 -1.679 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.295 -2.914 2.183 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -3.761 -1.066 -2.344 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -5.559 -0.916 1.521 1.00 0.00 H new ATOM 0 HH TYR A 83 -5.999 0.548 -0.076 1.00 0.00 H new ATOM 1286 N LEU A 84 -2.237 -7.393 -1.135 1.00 0.00 N ATOM 1287 CA LEU A 84 -1.283 -8.429 -1.516 1.00 0.00 C ATOM 1288 C LEU A 84 -0.368 -7.942 -2.635 1.00 0.00 C ATOM 1289 O LEU A 84 -0.832 -7.586 -3.719 1.00 0.00 O ATOM 1290 CB LEU A 84 -2.023 -9.692 -1.960 1.00 0.00 C ATOM 1291 CG LEU A 84 -2.247 -10.753 -0.882 1.00 0.00 C ATOM 1292 CD1 LEU A 84 -0.979 -11.563 -0.659 1.00 0.00 C ATOM 1293 CD2 LEU A 84 -2.704 -10.105 0.416 1.00 0.00 C ATOM 0 H LEU A 84 -2.973 -7.225 -1.821 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.669 -8.661 -0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.994 -9.399 -2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.465 -10.147 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.031 -11.430 -1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.157 -12.313 0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.695 -12.057 -1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.175 -10.900 -0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.859 -10.875 1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.943 -9.405 0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.638 -9.570 0.246 1.00 0.00 H new ATOM 1305 N CYS A 85 0.933 -7.930 -2.365 1.00 0.00 N ATOM 1306 CA CYS A 85 1.914 -7.488 -3.350 1.00 0.00 C ATOM 1307 C CYS A 85 2.546 -8.680 -4.061 1.00 0.00 C ATOM 1308 O CYS A 85 3.353 -9.404 -3.480 1.00 0.00 O ATOM 1309 CB CYS A 85 2.999 -6.647 -2.677 1.00 0.00 C ATOM 1310 SG CYS A 85 4.015 -5.694 -3.830 1.00 0.00 S ATOM 0 H CYS A 85 1.333 -8.221 -1.473 1.00 0.00 H new ATOM 0 HA CYS A 85 1.398 -6.878 -4.091 1.00 0.00 H new ATOM 0 HB2 CYS A 85 2.528 -5.962 -1.973 1.00 0.00 H new ATOM 0 HB3 CYS A 85 3.646 -7.305 -2.097 1.00 0.00 H new ATOM 0 HG CYS A 85 3.747 -4.428 -3.701 1.00 0.00 H new ATOM 1316 N GLU A 86 2.170 -8.878 -5.321 1.00 0.00 N ATOM 1317 CA GLU A 86 2.699 -9.985 -6.110 1.00 0.00 C ATOM 1318 C GLU A 86 3.798 -9.504 -7.054 1.00 0.00 C ATOM 1319 O GLU A 86 3.669 -8.459 -7.692 1.00 0.00 O ATOM 1320 CB GLU A 86 1.578 -10.650 -6.912 1.00 0.00 C ATOM 1321 CG GLU A 86 0.281 -10.801 -6.135 1.00 0.00 C ATOM 1322 CD GLU A 86 -0.536 -11.995 -6.589 1.00 0.00 C ATOM 1323 OE1 GLU A 86 0.056 -12.941 -7.149 1.00 0.00 O ATOM 1324 OE2 GLU A 86 -1.768 -11.982 -6.385 1.00 0.00 O ATOM 0 H GLU A 86 1.502 -8.287 -5.817 1.00 0.00 H new ATOM 0 HA GLU A 86 3.127 -10.715 -5.423 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.387 -10.062 -7.810 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.912 -11.634 -7.240 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.508 -10.903 -5.074 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.314 -9.895 -6.248 1.00 0.00 H new ATOM 1331 N ILE A 87 4.878 -10.274 -7.135 1.00 0.00 N ATOM 1332 CA ILE A 87 5.998 -9.927 -8.001 1.00 0.00 C ATOM 1333 C ILE A 87 6.109 -10.897 -9.173 1.00 0.00 C ATOM 1334 O ILE A 87 6.071 -10.490 -10.334 1.00 0.00 O ATOM 1335 CB ILE A 87 7.329 -9.924 -7.225 1.00 0.00 C ATOM 1336 CG1 ILE A 87 8.489 -10.279 -8.157 1.00 0.00 C ATOM 1337 CG2 ILE A 87 7.263 -10.897 -6.057 1.00 0.00 C ATOM 1338 CD1 ILE A 87 9.800 -9.637 -7.762 1.00 0.00 C ATOM 0 H ILE A 87 5.001 -11.141 -6.612 1.00 0.00 H new ATOM 0 HA ILE A 87 5.804 -8.924 -8.380 1.00 0.00 H new ATOM 0 HB ILE A 87 7.500 -8.923 -6.829 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.614 -11.362 -8.172 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.235 -9.973 -9.172 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.211 -10.884 -5.518 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.458 -10.603 -5.383 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.073 -11.903 -6.432 1.00 0.00 H new ATOM 0 HD11 ILE A 87 10.577 -9.933 -8.467 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.692 -8.552 -7.775 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.077 -9.962 -6.759 1.00 0.00 H new ATOM 1350 N ASP A 88 6.243 -12.181 -8.860 1.00 0.00 N ATOM 1351 CA ASP A 88 6.356 -13.210 -9.887 1.00 0.00 C ATOM 1352 C ASP A 88 5.467 -14.405 -9.558 1.00 0.00 C ATOM 1353 O ASP A 88 4.437 -14.621 -10.197 1.00 0.00 O ATOM 1354 CB ASP A 88 7.810 -13.663 -10.028 1.00 0.00 C ATOM 1355 CG ASP A 88 8.147 -14.093 -11.442 1.00 0.00 C ATOM 1356 OD1 ASP A 88 7.215 -14.454 -12.192 1.00 0.00 O ATOM 1357 OD2 ASP A 88 9.343 -14.069 -11.799 1.00 0.00 O ATOM 0 H ASP A 88 6.276 -12.534 -7.904 1.00 0.00 H new ATOM 0 HA ASP A 88 6.024 -12.783 -10.833 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.472 -12.849 -9.731 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.997 -14.491 -9.345 1.00 0.00 H new ATOM 1362 N ASP A 89 5.873 -15.180 -8.558 1.00 0.00 N ATOM 1363 CA ASP A 89 5.114 -16.354 -8.144 1.00 0.00 C ATOM 1364 C ASP A 89 4.644 -16.216 -6.699 1.00 0.00 C ATOM 1365 O ASP A 89 3.658 -16.832 -6.296 1.00 0.00 O ATOM 1366 CB ASP A 89 5.963 -17.617 -8.298 1.00 0.00 C ATOM 1367 CG ASP A 89 5.999 -18.119 -9.728 1.00 0.00 C ATOM 1368 OD1 ASP A 89 5.035 -17.850 -10.476 1.00 0.00 O ATOM 1369 OD2 ASP A 89 6.990 -18.782 -10.100 1.00 0.00 O ATOM 0 H ASP A 89 6.723 -15.016 -8.019 1.00 0.00 H new ATOM 0 HA ASP A 89 4.237 -16.434 -8.787 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.979 -17.411 -7.962 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.566 -18.399 -7.651 1.00 0.00 H new ATOM 1374 N GLU A 90 5.358 -15.404 -5.925 1.00 0.00 N ATOM 1375 CA GLU A 90 5.014 -15.187 -4.525 1.00 0.00 C ATOM 1376 C GLU A 90 4.314 -13.844 -4.338 1.00 0.00 C ATOM 1377 O GLU A 90 4.262 -13.026 -5.257 1.00 0.00 O ATOM 1378 CB GLU A 90 6.271 -15.245 -3.653 1.00 0.00 C ATOM 1379 CG GLU A 90 7.537 -14.831 -4.383 1.00 0.00 C ATOM 1380 CD GLU A 90 8.180 -15.981 -5.134 1.00 0.00 C ATOM 1381 OE1 GLU A 90 8.485 -17.010 -4.494 1.00 0.00 O ATOM 1382 OE2 GLU A 90 8.379 -15.853 -6.360 1.00 0.00 O ATOM 0 H GLU A 90 6.177 -14.886 -6.244 1.00 0.00 H new ATOM 0 HA GLU A 90 4.331 -15.979 -4.219 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.133 -14.598 -2.787 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.395 -16.260 -3.275 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.302 -14.030 -5.084 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.250 -14.427 -3.665 1.00 0.00 H new ATOM 1389 N SER A 91 3.777 -13.624 -3.142 1.00 0.00 N ATOM 1390 CA SER A 91 3.076 -12.383 -2.835 1.00 0.00 C ATOM 1391 C SER A 91 3.288 -11.986 -1.378 1.00 0.00 C ATOM 1392 O SER A 91 3.494 -12.838 -0.514 1.00 0.00 O ATOM 1393 CB SER A 91 1.581 -12.532 -3.123 1.00 0.00 C ATOM 1394 OG SER A 91 1.031 -13.625 -2.407 1.00 0.00 O ATOM 0 H SER A 91 3.814 -14.289 -2.370 1.00 0.00 H new ATOM 0 HA SER A 91 3.484 -11.597 -3.471 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.061 -11.614 -2.848 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.426 -12.678 -4.192 1.00 0.00 H new ATOM 0 HG SER A 91 0.120 -13.799 -2.724 1.00 0.00 H new ATOM 1400 N ALA A 92 3.237 -10.684 -1.112 1.00 0.00 N ATOM 1401 CA ALA A 92 3.421 -10.173 0.240 1.00 0.00 C ATOM 1402 C ALA A 92 2.088 -9.769 0.860 1.00 0.00 C ATOM 1403 O ALA A 92 1.308 -9.034 0.255 1.00 0.00 O ATOM 1404 CB ALA A 92 4.381 -8.992 0.231 1.00 0.00 C ATOM 0 H ALA A 92 3.070 -9.965 -1.816 1.00 0.00 H new ATOM 0 HA ALA A 92 3.848 -10.970 0.849 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.510 -8.620 1.247 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.346 -9.310 -0.164 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.976 -8.199 -0.397 1.00 0.00 H new ATOM 1410 N SER A 93 1.833 -10.254 2.071 1.00 0.00 N ATOM 1411 CA SER A 93 0.592 -9.946 2.772 1.00 0.00 C ATOM 1412 C SER A 93 0.711 -8.633 3.538 1.00 0.00 C ATOM 1413 O SER A 93 1.613 -8.459 4.358 1.00 0.00 O ATOM 1414 CB SER A 93 0.230 -11.080 3.734 1.00 0.00 C ATOM 1415 OG SER A 93 -0.812 -10.691 4.612 1.00 0.00 O ATOM 0 H SER A 93 2.469 -10.862 2.587 1.00 0.00 H new ATOM 0 HA SER A 93 -0.199 -9.842 2.029 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.077 -11.958 3.166 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.109 -11.365 4.312 1.00 0.00 H new ATOM 0 HG SER A 93 -1.026 -11.433 5.215 1.00 0.00 H new ATOM 1421 N PHE A 94 -0.205 -7.710 3.265 1.00 0.00 N ATOM 1422 CA PHE A 94 -0.203 -6.410 3.926 1.00 0.00 C ATOM 1423 C PHE A 94 -1.607 -6.037 4.396 1.00 0.00 C ATOM 1424 O PHE A 94 -2.435 -5.575 3.610 1.00 0.00 O ATOM 1425 CB PHE A 94 0.334 -5.334 2.981 1.00 0.00 C ATOM 1426 CG PHE A 94 1.831 -5.336 2.859 1.00 0.00 C ATOM 1427 CD1 PHE A 94 2.623 -4.829 3.876 1.00 0.00 C ATOM 1428 CD2 PHE A 94 2.445 -5.845 1.726 1.00 0.00 C ATOM 1429 CE1 PHE A 94 4.001 -4.830 3.767 1.00 0.00 C ATOM 1430 CE2 PHE A 94 3.823 -5.849 1.611 1.00 0.00 C ATOM 1431 CZ PHE A 94 4.601 -5.340 2.632 1.00 0.00 C ATOM 0 H PHE A 94 -0.959 -7.838 2.590 1.00 0.00 H new ATOM 0 HA PHE A 94 0.448 -6.474 4.798 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.103 -5.478 1.993 1.00 0.00 H new ATOM 0 HB3 PHE A 94 0.008 -4.356 3.334 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.158 -4.428 4.765 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.841 -6.243 0.924 1.00 0.00 H new ATOM 0 HE1 PHE A 94 4.607 -4.433 4.568 1.00 0.00 H new ATOM 0 HE2 PHE A 94 4.290 -6.250 0.724 1.00 0.00 H new ATOM 0 HZ PHE A 94 5.677 -5.341 2.543 1.00 0.00 H new ATOM 1441 N THR A 95 -1.867 -6.242 5.683 1.00 0.00 N ATOM 1442 CA THR A 95 -3.170 -5.929 6.258 1.00 0.00 C ATOM 1443 C THR A 95 -3.295 -4.440 6.559 1.00 0.00 C ATOM 1444 O THR A 95 -2.507 -3.882 7.323 1.00 0.00 O ATOM 1445 CB THR A 95 -3.417 -6.725 7.554 1.00 0.00 C ATOM 1446 OG1 THR A 95 -3.388 -8.130 7.278 1.00 0.00 O ATOM 1447 CG2 THR A 95 -4.757 -6.352 8.170 1.00 0.00 C ATOM 0 H THR A 95 -1.193 -6.623 6.347 1.00 0.00 H new ATOM 0 HA THR A 95 -3.918 -6.211 5.518 1.00 0.00 H new ATOM 0 HB THR A 95 -2.627 -6.478 8.263 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.544 -8.629 8.107 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.910 -6.926 9.084 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.766 -5.288 8.405 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.557 -6.574 7.464 1.00 0.00 H new ATOM 1455 N VAL A 96 -4.291 -3.800 5.954 1.00 0.00 N ATOM 1456 CA VAL A 96 -4.520 -2.375 6.158 1.00 0.00 C ATOM 1457 C VAL A 96 -5.958 -2.106 6.586 1.00 0.00 C ATOM 1458 O VAL A 96 -6.883 -2.171 5.775 1.00 0.00 O ATOM 1459 CB VAL A 96 -4.217 -1.569 4.881 1.00 0.00 C ATOM 1460 CG1 VAL A 96 -4.509 -0.092 5.100 1.00 0.00 C ATOM 1461 CG2 VAL A 96 -2.773 -1.777 4.451 1.00 0.00 C ATOM 0 H VAL A 96 -4.952 -4.246 5.318 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.842 -2.056 6.949 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.866 -1.929 4.082 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.289 0.462 4.187 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.560 0.037 5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.887 0.285 5.912 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.576 -1.200 3.547 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.105 -1.445 5.246 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.602 -2.835 4.251 1.00 0.00 H new ATOM 1471 N THR A 97 -6.141 -1.802 7.868 1.00 0.00 N ATOM 1472 CA THR A 97 -7.467 -1.523 8.405 1.00 0.00 C ATOM 1473 C THR A 97 -7.659 -0.030 8.647 1.00 0.00 C ATOM 1474 O THR A 97 -6.877 0.600 9.358 1.00 0.00 O ATOM 1475 CB THR A 97 -7.709 -2.281 9.724 1.00 0.00 C ATOM 1476 OG1 THR A 97 -7.536 -3.687 9.520 1.00 0.00 O ATOM 1477 CG2 THR A 97 -9.109 -2.009 10.255 1.00 0.00 C ATOM 0 H THR A 97 -5.387 -1.743 8.553 1.00 0.00 H new ATOM 0 HA THR A 97 -8.188 -1.863 7.661 1.00 0.00 H new ATOM 0 HB THR A 97 -6.984 -1.929 10.458 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.690 -4.161 10.364 1.00 0.00 H new ATOM 0 HG21 THR A 97 -9.257 -2.555 11.187 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.228 -0.941 10.437 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.846 -2.336 9.522 1.00 0.00 H new ATOM 1485 N VAL A 98 -8.707 0.531 8.051 1.00 0.00 N ATOM 1486 CA VAL A 98 -9.003 1.951 8.204 1.00 0.00 C ATOM 1487 C VAL A 98 -10.203 2.166 9.119 1.00 0.00 C ATOM 1488 O VAL A 98 -11.106 1.331 9.185 1.00 0.00 O ATOM 1489 CB VAL A 98 -9.283 2.615 6.843 1.00 0.00 C ATOM 1490 CG1 VAL A 98 -9.576 4.097 7.022 1.00 0.00 C ATOM 1491 CG2 VAL A 98 -8.111 2.405 5.896 1.00 0.00 C ATOM 0 H VAL A 98 -9.365 0.024 7.458 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.122 2.412 8.651 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.163 2.146 6.404 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -9.771 4.549 6.050 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.450 4.220 7.662 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.717 4.585 7.483 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.326 2.881 4.939 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.212 2.846 6.326 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.954 1.337 5.743 1.00 0.00 H new ATOM 1501 N THR A 99 -10.208 3.293 9.824 1.00 0.00 N ATOM 1502 CA THR A 99 -11.296 3.619 10.737 1.00 0.00 C ATOM 1503 C THR A 99 -11.599 5.113 10.721 1.00 0.00 C ATOM 1504 O THR A 99 -10.957 5.877 10.000 1.00 0.00 O ATOM 1505 CB THR A 99 -10.968 3.189 12.179 1.00 0.00 C ATOM 1506 OG1 THR A 99 -9.664 3.654 12.545 1.00 0.00 O ATOM 1507 CG2 THR A 99 -11.030 1.675 12.320 1.00 0.00 C ATOM 0 H THR A 99 -9.470 3.996 9.780 1.00 0.00 H new ATOM 0 HA THR A 99 -12.172 3.070 10.392 1.00 0.00 H new ATOM 0 HB THR A 99 -11.710 3.631 12.844 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.464 3.378 13.464 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.795 1.395 13.347 1.00 0.00 H new ATOM 0 HG22 THR A 99 -12.032 1.327 12.070 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.308 1.217 11.645 1.00 0.00 H new ATOM 1515 N GLU A 100 -12.579 5.523 11.520 1.00 0.00 N ATOM 1516 CA GLU A 100 -12.965 6.927 11.596 1.00 0.00 C ATOM 1517 C GLU A 100 -12.061 7.688 12.561 1.00 0.00 C ATOM 1518 O GLU A 100 -11.745 7.221 13.655 1.00 0.00 O ATOM 1519 CB GLU A 100 -14.424 7.054 12.039 1.00 0.00 C ATOM 1520 CG GLU A 100 -15.401 6.322 11.134 1.00 0.00 C ATOM 1521 CD GLU A 100 -16.710 5.999 11.828 1.00 0.00 C ATOM 1522 OE1 GLU A 100 -17.417 6.945 12.234 1.00 0.00 O ATOM 1523 OE2 GLU A 100 -17.027 4.799 11.966 1.00 0.00 O ATOM 0 H GLU A 100 -13.120 4.903 12.123 1.00 0.00 H new ATOM 0 HA GLU A 100 -12.855 7.362 10.603 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -14.522 6.667 13.053 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -14.694 8.109 12.073 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -15.602 6.932 10.254 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -14.942 5.398 10.783 1.00 0.00 H new ATOM 1530 N PRO A 101 -11.634 8.890 12.146 1.00 0.00 N ATOM 1531 CA PRO A 101 -10.760 9.743 12.958 1.00 0.00 C ATOM 1532 C PRO A 101 -11.475 10.309 14.180 1.00 0.00 C ATOM 1533 O PRO A 101 -12.703 10.320 14.261 1.00 0.00 O ATOM 1534 CB PRO A 101 -10.370 10.868 11.997 1.00 0.00 C ATOM 1535 CG PRO A 101 -11.483 10.924 11.008 1.00 0.00 C ATOM 1536 CD PRO A 101 -11.971 9.510 10.854 1.00 0.00 C ATOM 0 HA PRO A 101 -9.909 9.192 13.358 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.259 11.817 12.522 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.417 10.660 11.510 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -12.283 11.577 11.357 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.138 11.324 10.054 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -13.043 9.474 10.658 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.478 9.003 10.024 1.00 0.00 H new ATOM 1544 N PRO A 102 -10.691 10.792 15.155 1.00 0.00 N ATOM 1545 CA PRO A 102 -11.228 11.371 16.390 1.00 0.00 C ATOM 1546 C PRO A 102 -11.921 12.708 16.151 1.00 0.00 C ATOM 1547 O PRO A 102 -11.972 13.199 15.023 1.00 0.00 O ATOM 1548 CB PRO A 102 -9.985 11.561 17.262 1.00 0.00 C ATOM 1549 CG PRO A 102 -8.859 11.686 16.295 1.00 0.00 C ATOM 1550 CD PRO A 102 -9.218 10.812 15.126 1.00 0.00 C ATOM 0 HA PRO A 102 -11.989 10.734 16.841 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -10.071 12.451 17.886 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.839 10.714 17.933 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.727 12.722 15.982 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.920 11.367 16.747 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.840 11.220 14.188 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.800 9.811 15.230 1.00 0.00 H new