USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 610 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 36 SER OG : rot -133:sc= 0.00695 USER MOD Set 1.2: A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -119:sc= 2.57 (180deg=-0.147) USER MOD Single : A 15 GLN : amide:sc= -4.4! C(o=-4.4!,f=-7.4!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.311 K(o=-0.31,f=-0.92) USER MOD Single : A 51 GLN : amide:sc= -1.83 K(o=-1.8,f=-6.7!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot 180:sc= -1.94 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -0.0264 USER MOD Single : A 95 THR OG1 : rot -41:sc= 0.136 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.843 K(o=-0.84,f=-4.3!) USER MOD Single : A 117 CYS SG : rot 21:sc= 0.515 USER MOD ----------------------------------------------------------------- ATOM 119 N VAL A 13 -6.910 4.288 12.700 1.00 0.00 N ATOM 120 CA VAL A 13 -8.345 4.201 12.461 1.00 0.00 C ATOM 121 C VAL A 13 -8.832 2.759 12.560 1.00 0.00 C ATOM 122 O VAL A 13 -9.835 2.475 13.215 1.00 0.00 O ATOM 123 CB VAL A 13 -8.718 4.763 11.076 1.00 0.00 C ATOM 124 CG1 VAL A 13 -10.212 4.621 10.827 1.00 0.00 C ATOM 125 CG2 VAL A 13 -8.285 6.216 10.957 1.00 0.00 C ATOM 0 HA VAL A 13 -8.831 4.800 13.231 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.191 4.187 10.315 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.457 5.023 9.844 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.489 3.568 10.867 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.762 5.170 11.591 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.556 6.597 9.972 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.783 6.808 11.725 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.205 6.286 11.088 1.00 0.00 H new ATOM 135 N LYS A 14 -8.115 1.852 11.906 1.00 0.00 N ATOM 136 CA LYS A 14 -8.471 0.438 11.921 1.00 0.00 C ATOM 137 C LYS A 14 -7.236 -0.432 12.131 1.00 0.00 C ATOM 138 O LYS A 14 -6.131 -0.060 11.738 1.00 0.00 O ATOM 139 CB LYS A 14 -9.164 0.052 10.613 1.00 0.00 C ATOM 140 CG LYS A 14 -9.715 -1.363 10.611 1.00 0.00 C ATOM 141 CD LYS A 14 -9.932 -1.875 9.197 1.00 0.00 C ATOM 142 CE LYS A 14 -9.878 -3.394 9.139 1.00 0.00 C ATOM 143 NZ LYS A 14 -10.401 -3.919 7.847 1.00 0.00 N ATOM 0 H LYS A 14 -7.283 2.071 11.358 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.157 0.270 12.751 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.979 0.751 10.424 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.456 0.158 9.791 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.025 -2.024 11.136 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.658 -1.388 11.157 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.898 -1.530 8.828 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.171 -1.458 8.537 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.849 -3.726 9.276 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.459 -3.810 9.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.226 -4.526 8.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.683 -3.124 7.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.660 -4.473 7.372 1.00 0.00 H new ATOM 157 N GLN A 15 -7.433 -1.591 12.751 1.00 0.00 N ATOM 158 CA GLN A 15 -6.334 -2.514 13.011 1.00 0.00 C ATOM 159 C GLN A 15 -6.751 -3.952 12.721 1.00 0.00 C ATOM 160 O GLN A 15 -7.934 -4.285 12.758 1.00 0.00 O ATOM 161 CB GLN A 15 -5.868 -2.388 14.462 1.00 0.00 C ATOM 162 CG GLN A 15 -5.455 -0.977 14.849 1.00 0.00 C ATOM 163 CD GLN A 15 -6.643 -0.076 15.124 1.00 0.00 C ATOM 164 OE1 GLN A 15 -6.935 0.839 14.354 1.00 0.00 O ATOM 165 NE2 GLN A 15 -7.337 -0.332 16.227 1.00 0.00 N ATOM 0 H GLN A 15 -8.342 -1.913 13.082 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.509 -2.254 12.348 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.671 -2.717 15.122 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.026 -3.061 14.624 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.822 -1.018 15.735 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.854 -0.546 14.048 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.060 -1.101 16.837 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.147 0.240 16.464 1.00 0.00 H new ATOM 174 N GLY A 16 -5.769 -4.801 12.431 1.00 0.00 N ATOM 175 CA GLY A 16 -6.054 -6.193 12.138 1.00 0.00 C ATOM 176 C GLY A 16 -4.804 -6.986 11.816 1.00 0.00 C ATOM 177 O GLY A 16 -3.713 -6.424 11.713 1.00 0.00 O ATOM 0 H GLY A 16 -4.781 -4.549 12.394 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.557 -6.645 12.993 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.743 -6.250 11.296 1.00 0.00 H new ATOM 181 N PHE A 17 -4.960 -8.296 11.656 1.00 0.00 N ATOM 182 CA PHE A 17 -3.833 -9.168 11.346 1.00 0.00 C ATOM 183 C PHE A 17 -3.844 -9.567 9.873 1.00 0.00 C ATOM 184 O PHE A 17 -4.804 -10.167 9.387 1.00 0.00 O ATOM 185 CB PHE A 17 -3.872 -10.419 12.225 1.00 0.00 C ATOM 186 CG PHE A 17 -3.889 -10.118 13.696 1.00 0.00 C ATOM 187 CD1 PHE A 17 -2.850 -9.414 14.285 1.00 0.00 C ATOM 188 CD2 PHE A 17 -4.943 -10.538 14.491 1.00 0.00 C ATOM 189 CE1 PHE A 17 -2.863 -9.135 15.638 1.00 0.00 C ATOM 190 CE2 PHE A 17 -4.961 -10.261 15.845 1.00 0.00 C ATOM 191 CZ PHE A 17 -3.919 -9.560 16.420 1.00 0.00 C ATOM 0 H PHE A 17 -5.856 -8.777 11.736 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.914 -8.619 11.549 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.756 -11.004 11.972 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.004 -11.039 11.999 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.021 -9.080 13.679 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.760 -11.088 14.048 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.048 -8.585 16.084 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.790 -10.593 16.453 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.930 -9.345 17.478 1.00 0.00 H new ATOM 201 N LEU A 18 -2.770 -9.230 9.167 1.00 0.00 N ATOM 202 CA LEU A 18 -2.655 -9.552 7.749 1.00 0.00 C ATOM 203 C LEU A 18 -1.574 -10.603 7.515 1.00 0.00 C ATOM 204 O LEU A 18 -0.854 -10.983 8.439 1.00 0.00 O ATOM 205 CB LEU A 18 -2.338 -8.291 6.943 1.00 0.00 C ATOM 206 CG LEU A 18 -3.482 -7.288 6.788 1.00 0.00 C ATOM 207 CD1 LEU A 18 -2.964 -5.968 6.238 1.00 0.00 C ATOM 208 CD2 LEU A 18 -4.569 -7.855 5.887 1.00 0.00 C ATOM 0 H LEU A 18 -1.967 -8.734 9.553 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.610 -9.958 7.416 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.498 -7.783 7.416 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.009 -8.593 5.949 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.914 -7.103 7.772 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.792 -5.267 6.135 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.222 -5.555 6.922 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.506 -6.135 5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.375 -7.128 5.788 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.151 -8.070 4.904 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.961 -8.774 6.323 1.00 0.00 H new ATOM 220 N TYR A 19 -1.466 -11.067 6.276 1.00 0.00 N ATOM 221 CA TYR A 19 -0.473 -12.074 5.920 1.00 0.00 C ATOM 222 C TYR A 19 0.174 -11.752 4.577 1.00 0.00 C ATOM 223 O TYR A 19 -0.485 -11.264 3.658 1.00 0.00 O ATOM 224 CB TYR A 19 -1.119 -13.460 5.868 1.00 0.00 C ATOM 225 CG TYR A 19 -2.087 -13.720 7.000 1.00 0.00 C ATOM 226 CD1 TYR A 19 -1.641 -13.825 8.312 1.00 0.00 C ATOM 227 CD2 TYR A 19 -3.448 -13.861 6.758 1.00 0.00 C ATOM 228 CE1 TYR A 19 -2.522 -14.063 9.349 1.00 0.00 C ATOM 229 CE2 TYR A 19 -4.337 -14.098 7.789 1.00 0.00 C ATOM 230 CZ TYR A 19 -3.869 -14.199 9.082 1.00 0.00 C ATOM 231 OH TYR A 19 -4.750 -14.435 10.113 1.00 0.00 O ATOM 0 H TYR A 19 -2.054 -10.762 5.500 1.00 0.00 H new ATOM 0 HA TYR A 19 0.303 -12.069 6.686 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.644 -13.571 4.919 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.336 -14.218 5.890 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.587 -13.719 8.525 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.818 -13.784 5.746 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.159 -14.142 10.363 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.392 -14.203 7.583 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.660 -14.504 9.756 1.00 0.00 H new ATOM 241 N LEU A 20 1.469 -12.028 4.471 1.00 0.00 N ATOM 242 CA LEU A 20 2.208 -11.768 3.240 1.00 0.00 C ATOM 243 C LEU A 20 2.908 -13.031 2.749 1.00 0.00 C ATOM 244 O LEU A 20 3.894 -13.474 3.338 1.00 0.00 O ATOM 245 CB LEU A 20 3.234 -10.656 3.463 1.00 0.00 C ATOM 246 CG LEU A 20 4.339 -10.542 2.412 1.00 0.00 C ATOM 247 CD1 LEU A 20 3.741 -10.447 1.017 1.00 0.00 C ATOM 248 CD2 LEU A 20 5.224 -9.337 2.697 1.00 0.00 C ATOM 0 H LEU A 20 2.029 -12.432 5.222 1.00 0.00 H new ATOM 0 HA LEU A 20 1.497 -11.449 2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.704 -9.704 3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.700 -10.809 4.436 1.00 0.00 H new ATOM 0 HG LEU A 20 4.955 -11.440 2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.542 -10.367 0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.150 -11.340 0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.102 -9.566 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.005 -9.272 1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.621 -8.429 2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.681 -9.446 3.680 1.00 0.00 H new ATOM 260 N GLN A 21 2.394 -13.604 1.665 1.00 0.00 N ATOM 261 CA GLN A 21 2.971 -14.815 1.094 1.00 0.00 C ATOM 262 C GLN A 21 4.364 -14.542 0.536 1.00 0.00 C ATOM 263 O GLN A 21 4.527 -13.749 -0.390 1.00 0.00 O ATOM 264 CB GLN A 21 2.066 -15.366 -0.008 1.00 0.00 C ATOM 265 CG GLN A 21 2.352 -16.817 -0.361 1.00 0.00 C ATOM 266 CD GLN A 21 1.404 -17.359 -1.412 1.00 0.00 C ATOM 267 OE1 GLN A 21 1.558 -17.088 -2.604 1.00 0.00 O ATOM 268 NE2 GLN A 21 0.414 -18.131 -0.977 1.00 0.00 N ATOM 0 H GLN A 21 1.579 -13.249 1.165 1.00 0.00 H new ATOM 0 HA GLN A 21 3.056 -15.557 1.888 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.027 -15.276 0.308 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.182 -14.753 -0.902 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.377 -16.904 -0.722 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.278 -17.427 0.539 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.323 -18.330 0.019 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -0.255 -18.524 -1.639 1.00 0.00 H new ATOM 413 N TRP A 30 3.026 -19.185 4.922 1.00 0.00 N ATOM 414 CA TRP A 30 2.271 -17.997 5.302 1.00 0.00 C ATOM 415 C TRP A 30 2.864 -17.350 6.549 1.00 0.00 C ATOM 416 O TRP A 30 3.330 -18.041 7.456 1.00 0.00 O ATOM 417 CB TRP A 30 0.804 -18.356 5.548 1.00 0.00 C ATOM 418 CG TRP A 30 -0.011 -18.417 4.292 1.00 0.00 C ATOM 419 CD1 TRP A 30 -0.651 -19.510 3.782 1.00 0.00 C ATOM 420 CD2 TRP A 30 -0.271 -17.338 3.386 1.00 0.00 C ATOM 421 NE1 TRP A 30 -1.293 -19.176 2.614 1.00 0.00 N ATOM 422 CE2 TRP A 30 -1.077 -17.850 2.350 1.00 0.00 C ATOM 423 CE3 TRP A 30 0.096 -15.990 3.351 1.00 0.00 C ATOM 424 CZ2 TRP A 30 -1.519 -17.060 1.292 1.00 0.00 C ATOM 425 CZ3 TRP A 30 -0.343 -15.208 2.300 1.00 0.00 C ATOM 426 CH2 TRP A 30 -1.144 -15.744 1.283 1.00 0.00 C ATOM 0 HA TRP A 30 2.330 -17.282 4.481 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.753 -19.321 6.053 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.365 -17.620 6.222 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -0.652 -20.492 4.231 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -1.842 -19.813 2.037 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.712 -15.567 4.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -2.136 -17.471 0.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.064 -14.165 2.262 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -1.472 -15.106 0.476 1.00 0.00 H new ATOM 437 N ARG A 31 2.845 -16.022 6.589 1.00 0.00 N ATOM 438 CA ARG A 31 3.382 -15.283 7.725 1.00 0.00 C ATOM 439 C ARG A 31 2.475 -14.112 8.090 1.00 0.00 C ATOM 440 O ARG A 31 1.928 -13.441 7.214 1.00 0.00 O ATOM 441 CB ARG A 31 4.789 -14.773 7.409 1.00 0.00 C ATOM 442 CG ARG A 31 5.878 -15.808 7.640 1.00 0.00 C ATOM 443 CD ARG A 31 6.410 -15.749 9.064 1.00 0.00 C ATOM 444 NE ARG A 31 5.513 -16.405 10.011 1.00 0.00 N ATOM 445 CZ ARG A 31 5.491 -17.718 10.214 1.00 0.00 C ATOM 446 NH1 ARG A 31 6.313 -18.510 9.539 1.00 0.00 N ATOM 447 NH2 ARG A 31 4.646 -18.241 11.093 1.00 0.00 N ATOM 0 H ARG A 31 2.463 -15.435 5.847 1.00 0.00 H new ATOM 0 HA ARG A 31 3.431 -15.961 8.577 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.823 -14.448 6.369 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.996 -13.897 8.024 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.483 -16.804 7.439 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.695 -15.641 6.938 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.390 -16.224 9.105 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.548 -14.708 9.357 1.00 0.00 H new ATOM 0 HE ARG A 31 4.868 -15.824 10.546 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.964 -18.112 8.862 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.294 -19.518 9.697 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.012 -17.635 11.614 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.630 -19.249 11.248 1.00 0.00 H new ATOM 461 N ARG A 32 2.320 -13.872 9.388 1.00 0.00 N ATOM 462 CA ARG A 32 1.478 -12.783 9.869 1.00 0.00 C ATOM 463 C ARG A 32 2.318 -11.707 10.549 1.00 0.00 C ATOM 464 O ARG A 32 3.415 -11.977 11.038 1.00 0.00 O ATOM 465 CB ARG A 32 0.426 -13.316 10.843 1.00 0.00 C ATOM 466 CG ARG A 32 0.989 -13.688 12.205 1.00 0.00 C ATOM 467 CD ARG A 32 1.367 -15.159 12.268 1.00 0.00 C ATOM 468 NE ARG A 32 2.269 -15.445 13.380 1.00 0.00 N ATOM 469 CZ ARG A 32 3.525 -15.015 13.437 1.00 0.00 C ATOM 470 NH1 ARG A 32 4.023 -14.283 12.451 1.00 0.00 N ATOM 471 NH2 ARG A 32 4.284 -15.316 14.483 1.00 0.00 N ATOM 0 H ARG A 32 2.767 -14.417 10.125 1.00 0.00 H new ATOM 0 HA ARG A 32 0.975 -12.338 9.010 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.350 -12.562 10.974 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.051 -14.193 10.405 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.866 -13.076 12.417 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.252 -13.467 12.977 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.464 -15.761 12.369 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.842 -15.452 11.332 1.00 0.00 H new ATOM 0 HE ARG A 32 1.916 -16.006 14.155 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.442 -14.049 11.646 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.987 -13.954 12.497 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.903 -15.878 15.244 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.248 -14.985 14.526 1.00 0.00 H new ATOM 485 N PHE A 33 1.796 -10.485 10.576 1.00 0.00 N ATOM 486 CA PHE A 33 2.498 -9.367 11.196 1.00 0.00 C ATOM 487 C PHE A 33 1.515 -8.288 11.643 1.00 0.00 C ATOM 488 O PHE A 33 0.505 -8.042 10.985 1.00 0.00 O ATOM 489 CB PHE A 33 3.515 -8.773 10.219 1.00 0.00 C ATOM 490 CG PHE A 33 4.421 -9.798 9.599 1.00 0.00 C ATOM 491 CD1 PHE A 33 5.442 -10.376 10.336 1.00 0.00 C ATOM 492 CD2 PHE A 33 4.251 -10.183 8.279 1.00 0.00 C ATOM 493 CE1 PHE A 33 6.277 -11.321 9.769 1.00 0.00 C ATOM 494 CE2 PHE A 33 5.083 -11.127 7.707 1.00 0.00 C ATOM 495 CZ PHE A 33 6.097 -11.696 8.452 1.00 0.00 C ATOM 0 H PHE A 33 0.889 -10.244 10.176 1.00 0.00 H new ATOM 0 HA PHE A 33 3.023 -9.741 12.075 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.982 -8.246 9.428 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.121 -8.034 10.743 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.587 -10.085 11.366 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.460 -9.741 7.691 1.00 0.00 H new ATOM 0 HE1 PHE A 33 7.068 -11.765 10.355 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.940 -11.420 6.677 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.748 -12.433 8.006 1.00 0.00 H new ATOM 505 N GLY A 34 1.820 -7.648 12.767 1.00 0.00 N ATOM 506 CA GLY A 34 0.954 -6.604 13.285 1.00 0.00 C ATOM 507 C GLY A 34 0.797 -5.449 12.316 1.00 0.00 C ATOM 508 O GLY A 34 1.682 -4.602 12.200 1.00 0.00 O ATOM 0 H GLY A 34 2.651 -7.833 13.329 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.027 -7.026 13.505 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.360 -6.233 14.226 1.00 0.00 H new ATOM 512 N ALA A 35 -0.333 -5.415 11.617 1.00 0.00 N ATOM 513 CA ALA A 35 -0.604 -4.355 10.654 1.00 0.00 C ATOM 514 C ALA A 35 -1.559 -3.317 11.233 1.00 0.00 C ATOM 515 O ALA A 35 -2.492 -3.656 11.961 1.00 0.00 O ATOM 516 CB ALA A 35 -1.173 -4.941 9.370 1.00 0.00 C ATOM 0 H ALA A 35 -1.075 -6.110 11.700 1.00 0.00 H new ATOM 0 HA ALA A 35 0.338 -3.856 10.426 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.371 -4.138 8.660 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.455 -5.638 8.939 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.102 -5.467 9.590 1.00 0.00 H new ATOM 522 N SER A 36 -1.319 -2.051 10.906 1.00 0.00 N ATOM 523 CA SER A 36 -2.156 -0.963 11.398 1.00 0.00 C ATOM 524 C SER A 36 -2.538 -0.016 10.265 1.00 0.00 C ATOM 525 O SER A 36 -1.679 0.465 9.526 1.00 0.00 O ATOM 526 CB SER A 36 -1.428 -0.190 12.500 1.00 0.00 C ATOM 527 OG SER A 36 -2.348 0.377 13.418 1.00 0.00 O ATOM 0 H SER A 36 -0.552 -1.754 10.303 1.00 0.00 H new ATOM 0 HA SER A 36 -3.068 -1.396 11.809 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.747 -0.858 13.028 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.820 0.598 12.055 1.00 0.00 H new ATOM 0 HG SER A 36 -2.108 1.312 13.586 1.00 0.00 H new ATOM 533 N LEU A 37 -3.834 0.246 10.134 1.00 0.00 N ATOM 534 CA LEU A 37 -4.332 1.136 9.090 1.00 0.00 C ATOM 535 C LEU A 37 -4.429 2.571 9.598 1.00 0.00 C ATOM 536 O LEU A 37 -5.282 2.891 10.426 1.00 0.00 O ATOM 537 CB LEU A 37 -5.702 0.663 8.601 1.00 0.00 C ATOM 538 CG LEU A 37 -6.244 1.356 7.350 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.279 1.189 6.187 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.617 0.807 6.990 1.00 0.00 C ATOM 0 H LEU A 37 -4.558 -0.144 10.737 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.627 1.111 8.259 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.645 -0.407 8.403 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.421 0.800 9.409 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.344 2.421 7.561 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.681 1.689 5.306 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.317 1.630 6.446 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.146 0.128 5.974 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.988 1.311 6.098 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.542 -0.263 6.797 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.306 0.979 7.817 1.00 0.00 H new ATOM 552 N TYR A 38 -3.550 3.431 9.095 1.00 0.00 N ATOM 553 CA TYR A 38 -3.536 4.832 9.498 1.00 0.00 C ATOM 554 C TYR A 38 -4.161 5.715 8.422 1.00 0.00 C ATOM 555 O TYR A 38 -4.084 5.412 7.233 1.00 0.00 O ATOM 556 CB TYR A 38 -2.103 5.289 9.779 1.00 0.00 C ATOM 557 CG TYR A 38 -1.431 4.523 10.896 1.00 0.00 C ATOM 558 CD1 TYR A 38 -1.826 4.695 12.218 1.00 0.00 C ATOM 559 CD2 TYR A 38 -0.402 3.629 10.631 1.00 0.00 C ATOM 560 CE1 TYR A 38 -1.214 3.998 13.242 1.00 0.00 C ATOM 561 CE2 TYR A 38 0.214 2.926 11.648 1.00 0.00 C ATOM 562 CZ TYR A 38 -0.195 3.114 12.952 1.00 0.00 C ATOM 563 OH TYR A 38 0.417 2.418 13.969 1.00 0.00 O ATOM 0 H TYR A 38 -2.838 3.182 8.408 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.127 4.927 10.409 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.512 5.182 8.870 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.112 6.349 10.031 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.624 5.385 12.448 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.078 3.481 9.612 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.531 4.144 14.264 1.00 0.00 H new ATOM 0 HE2 TYR A 38 1.011 2.233 11.424 1.00 0.00 H new ATOM 0 HH TYR A 38 1.113 1.837 13.596 1.00 0.00 H new ATOM 573 N GLY A 39 -4.782 6.810 8.851 1.00 0.00 N ATOM 574 CA GLY A 39 -5.412 7.721 7.914 1.00 0.00 C ATOM 575 C GLY A 39 -6.881 7.938 8.215 1.00 0.00 C ATOM 576 O GLY A 39 -7.237 8.417 9.291 1.00 0.00 O ATOM 0 H GLY A 39 -4.860 7.082 9.831 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.894 8.680 7.940 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.306 7.328 6.903 1.00 0.00 H new ATOM 650 N ALA A 46 -2.198 8.497 5.044 1.00 0.00 N ATOM 651 CA ALA A 46 -2.547 7.095 5.233 1.00 0.00 C ATOM 652 C ALA A 46 -1.422 6.181 4.759 1.00 0.00 C ATOM 653 O ALA A 46 -0.879 6.362 3.669 1.00 0.00 O ATOM 654 CB ALA A 46 -3.839 6.769 4.498 1.00 0.00 C ATOM 0 HA ALA A 46 -2.695 6.923 6.299 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.088 5.718 4.648 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.645 7.392 4.886 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.711 6.963 3.433 1.00 0.00 H new ATOM 660 N ARG A 47 -1.076 5.199 5.585 1.00 0.00 N ATOM 661 CA ARG A 47 -0.014 4.258 5.251 1.00 0.00 C ATOM 662 C ARG A 47 -0.143 2.978 6.072 1.00 0.00 C ATOM 663 O ARG A 47 -0.565 3.010 7.229 1.00 0.00 O ATOM 664 CB ARG A 47 1.356 4.895 5.492 1.00 0.00 C ATOM 665 CG ARG A 47 1.740 4.976 6.961 1.00 0.00 C ATOM 666 CD ARG A 47 3.218 5.288 7.134 1.00 0.00 C ATOM 667 NE ARG A 47 3.474 6.726 7.163 1.00 0.00 N ATOM 668 CZ ARG A 47 4.656 7.255 7.459 1.00 0.00 C ATOM 669 NH1 ARG A 47 5.684 6.470 7.749 1.00 0.00 N ATOM 670 NH2 ARG A 47 4.811 8.573 7.465 1.00 0.00 N ATOM 0 H ARG A 47 -1.516 5.034 6.490 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.108 4.003 4.195 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.113 4.321 4.958 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.360 5.899 5.068 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.145 5.746 7.452 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.507 4.031 7.452 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.578 4.837 8.059 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.782 4.836 6.318 1.00 0.00 H new ATOM 0 HE ARG A 47 2.704 7.358 6.944 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.569 5.457 7.745 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.590 6.879 7.976 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.022 9.180 7.242 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.719 8.979 7.692 1.00 0.00 H new ATOM 684 N LEU A 48 0.222 1.853 5.467 1.00 0.00 N ATOM 685 CA LEU A 48 0.146 0.562 6.141 1.00 0.00 C ATOM 686 C LEU A 48 1.516 0.137 6.659 1.00 0.00 C ATOM 687 O LEU A 48 2.406 -0.204 5.881 1.00 0.00 O ATOM 688 CB LEU A 48 -0.403 -0.502 5.189 1.00 0.00 C ATOM 689 CG LEU A 48 -1.185 -1.645 5.838 1.00 0.00 C ATOM 690 CD1 LEU A 48 -2.430 -1.114 6.531 1.00 0.00 C ATOM 691 CD2 LEU A 48 -1.556 -2.694 4.800 1.00 0.00 C ATOM 0 H LEU A 48 0.574 1.809 4.511 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.529 0.664 6.991 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.051 -0.011 4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.432 -0.929 4.633 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.549 -2.115 6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.974 -1.942 6.987 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.141 -0.401 7.303 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.070 -0.618 5.801 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.112 -3.500 5.280 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.173 -2.238 4.026 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.649 -3.097 4.350 1.00 0.00 H new ATOM 703 N GLU A 49 1.677 0.159 7.979 1.00 0.00 N ATOM 704 CA GLU A 49 2.939 -0.225 8.600 1.00 0.00 C ATOM 705 C GLU A 49 2.925 -1.699 8.994 1.00 0.00 C ATOM 706 O GLU A 49 1.907 -2.222 9.450 1.00 0.00 O ATOM 707 CB GLU A 49 3.211 0.641 9.833 1.00 0.00 C ATOM 708 CG GLU A 49 3.609 2.068 9.498 1.00 0.00 C ATOM 709 CD GLU A 49 4.282 2.773 10.659 1.00 0.00 C ATOM 710 OE1 GLU A 49 5.259 2.218 11.204 1.00 0.00 O ATOM 711 OE2 GLU A 49 3.833 3.880 11.024 1.00 0.00 O ATOM 0 H GLU A 49 0.950 0.438 8.638 1.00 0.00 H new ATOM 0 HA GLU A 49 3.735 -0.069 7.872 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.318 0.659 10.458 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.004 0.180 10.422 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.283 2.062 8.641 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.722 2.629 9.202 1.00 0.00 H new ATOM 718 N LEU A 50 4.061 -2.364 8.813 1.00 0.00 N ATOM 719 CA LEU A 50 4.181 -3.779 9.149 1.00 0.00 C ATOM 720 C LEU A 50 5.371 -4.021 10.072 1.00 0.00 C ATOM 721 O LEU A 50 6.361 -3.293 10.025 1.00 0.00 O ATOM 722 CB LEU A 50 4.329 -4.614 7.876 1.00 0.00 C ATOM 723 CG LEU A 50 3.174 -4.529 6.878 1.00 0.00 C ATOM 724 CD1 LEU A 50 3.591 -5.094 5.529 1.00 0.00 C ATOM 725 CD2 LEU A 50 1.953 -5.263 7.412 1.00 0.00 C ATOM 0 H LEU A 50 4.912 -1.947 8.436 1.00 0.00 H new ATOM 0 HA LEU A 50 3.273 -4.082 9.671 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.244 -4.307 7.369 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.458 -5.658 8.163 1.00 0.00 H new ATOM 0 HG LEU A 50 2.912 -3.480 6.743 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.756 -5.025 4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.436 -4.524 5.141 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.881 -6.138 5.646 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.141 -5.192 6.689 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.202 -6.311 7.577 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.640 -4.812 8.354 1.00 0.00 H new ATOM 737 N GLN A 51 5.266 -5.049 10.907 1.00 0.00 N ATOM 738 CA GLN A 51 6.334 -5.388 11.839 1.00 0.00 C ATOM 739 C GLN A 51 6.922 -6.759 11.519 1.00 0.00 C ATOM 740 O GLN A 51 6.277 -7.586 10.876 1.00 0.00 O ATOM 741 CB GLN A 51 5.812 -5.367 13.277 1.00 0.00 C ATOM 742 CG GLN A 51 4.700 -6.371 13.535 1.00 0.00 C ATOM 743 CD GLN A 51 5.227 -7.761 13.832 1.00 0.00 C ATOM 744 OE1 GLN A 51 4.903 -8.723 13.135 1.00 0.00 O ATOM 745 NE2 GLN A 51 6.046 -7.875 14.872 1.00 0.00 N ATOM 0 H GLN A 51 4.452 -5.662 10.957 1.00 0.00 H new ATOM 0 HA GLN A 51 7.122 -4.642 11.735 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.639 -5.570 13.958 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.447 -4.366 13.508 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.094 -6.029 14.374 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.045 -6.413 12.665 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.288 -7.052 15.423 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.432 -8.786 15.119 1.00 0.00 H new ATOM 959 N LYS A 65 8.481 -2.104 7.770 1.00 0.00 N ATOM 960 CA LYS A 65 8.029 -2.285 6.396 1.00 0.00 C ATOM 961 C LYS A 65 6.660 -1.646 6.184 1.00 0.00 C ATOM 962 O LYS A 65 5.633 -2.221 6.543 1.00 0.00 O ATOM 963 CB LYS A 65 7.967 -3.775 6.050 1.00 0.00 C ATOM 964 CG LYS A 65 9.263 -4.321 5.478 1.00 0.00 C ATOM 965 CD LYS A 65 9.342 -5.832 5.619 1.00 0.00 C ATOM 966 CE LYS A 65 10.160 -6.455 4.498 1.00 0.00 C ATOM 967 NZ LYS A 65 11.623 -6.280 4.716 1.00 0.00 N ATOM 0 HA LYS A 65 8.745 -1.794 5.737 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.711 -4.337 6.948 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.165 -3.939 5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.341 -4.048 4.426 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.109 -3.862 5.989 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.788 -6.086 6.581 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.336 -6.252 5.613 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.928 -7.518 4.426 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.878 -6.002 3.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.146 -6.718 3.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.849 -5.266 4.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.897 -6.734 5.611 1.00 0.00 H new ATOM 981 N VAL A 66 6.654 -0.453 5.598 1.00 0.00 N ATOM 982 CA VAL A 66 5.411 0.264 5.336 1.00 0.00 C ATOM 983 C VAL A 66 5.155 0.390 3.839 1.00 0.00 C ATOM 984 O VAL A 66 6.077 0.631 3.059 1.00 0.00 O ATOM 985 CB VAL A 66 5.432 1.671 5.963 1.00 0.00 C ATOM 986 CG1 VAL A 66 6.544 2.511 5.352 1.00 0.00 C ATOM 987 CG2 VAL A 66 4.082 2.351 5.790 1.00 0.00 C ATOM 0 H VAL A 66 7.496 0.038 5.296 1.00 0.00 H new ATOM 0 HA VAL A 66 4.608 -0.316 5.791 1.00 0.00 H new ATOM 0 HB VAL A 66 5.629 1.572 7.030 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.544 3.502 5.807 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.505 2.029 5.532 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.381 2.605 4.278 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.115 3.344 6.239 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.853 2.440 4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.310 1.757 6.279 1.00 0.00 H new ATOM 997 N ILE A 67 3.897 0.225 3.444 1.00 0.00 N ATOM 998 CA ILE A 67 3.518 0.322 2.040 1.00 0.00 C ATOM 999 C ILE A 67 2.491 1.428 1.822 1.00 0.00 C ATOM 1000 O ILE A 67 1.289 1.212 1.983 1.00 0.00 O ATOM 1001 CB ILE A 67 2.943 -1.008 1.519 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.991 -2.118 1.624 1.00 0.00 C ATOM 1003 CG2 ILE A 67 2.470 -0.853 0.081 1.00 0.00 C ATOM 1004 CD1 ILE A 67 3.394 -3.498 1.788 1.00 0.00 C ATOM 0 H ILE A 67 3.123 0.023 4.077 1.00 0.00 H new ATOM 0 HA ILE A 67 4.425 0.558 1.484 1.00 0.00 H new ATOM 0 HB ILE A 67 2.087 -1.283 2.135 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.614 -2.104 0.730 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.645 -1.911 2.471 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.066 -1.801 -0.273 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.695 -0.088 0.033 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.310 -0.558 -0.548 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.194 -4.235 1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.794 -3.529 2.697 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.763 -3.726 0.929 1.00 0.00 H new ATOM 1016 N ARG A 68 2.971 2.611 1.455 1.00 0.00 N ATOM 1017 CA ARG A 68 2.094 3.750 1.215 1.00 0.00 C ATOM 1018 C ARG A 68 0.907 3.349 0.345 1.00 0.00 C ATOM 1019 O ARG A 68 1.079 2.891 -0.786 1.00 0.00 O ATOM 1020 CB ARG A 68 2.870 4.886 0.544 1.00 0.00 C ATOM 1021 CG ARG A 68 3.906 5.532 1.449 1.00 0.00 C ATOM 1022 CD ARG A 68 4.969 6.265 0.645 1.00 0.00 C ATOM 1023 NE ARG A 68 4.461 7.507 0.070 1.00 0.00 N ATOM 1024 CZ ARG A 68 5.093 8.191 -0.878 1.00 0.00 C ATOM 1025 NH1 ARG A 68 6.250 7.754 -1.355 1.00 0.00 N ATOM 1026 NH2 ARG A 68 4.567 9.314 -1.350 1.00 0.00 N ATOM 0 H ARG A 68 3.963 2.806 1.317 1.00 0.00 H new ATOM 0 HA ARG A 68 1.717 4.095 2.178 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.367 4.499 -0.346 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.166 5.648 0.210 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.414 6.231 2.126 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.378 4.768 2.067 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.822 6.485 1.287 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.330 5.617 -0.154 1.00 0.00 H new ATOM 0 HE ARG A 68 3.572 7.870 0.415 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.657 6.891 -0.994 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.733 8.281 -2.083 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.677 9.653 -0.985 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.053 9.838 -2.078 1.00 0.00 H new ATOM 1040 N LEU A 69 -0.297 3.523 0.879 1.00 0.00 N ATOM 1041 CA LEU A 69 -1.514 3.178 0.152 1.00 0.00 C ATOM 1042 C LEU A 69 -1.602 3.952 -1.160 1.00 0.00 C ATOM 1043 O LEU A 69 -2.022 3.413 -2.183 1.00 0.00 O ATOM 1044 CB LEU A 69 -2.745 3.468 1.012 1.00 0.00 C ATOM 1045 CG LEU A 69 -3.042 2.458 2.121 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.347 2.803 2.821 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -3.095 1.046 1.556 1.00 0.00 C ATOM 0 H LEU A 69 -0.457 3.901 1.813 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.482 2.113 -0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.622 4.451 1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.615 3.526 0.358 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.237 2.505 2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.542 2.074 3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.273 3.798 3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.163 2.785 2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.307 0.340 2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.880 0.985 0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.136 0.800 1.101 1.00 0.00 H new ATOM 1059 N SER A 70 -1.201 5.219 -1.122 1.00 0.00 N ATOM 1060 CA SER A 70 -1.237 6.068 -2.307 1.00 0.00 C ATOM 1061 C SER A 70 -0.429 5.448 -3.443 1.00 0.00 C ATOM 1062 O SER A 70 -0.641 5.763 -4.614 1.00 0.00 O ATOM 1063 CB SER A 70 -0.693 7.460 -1.979 1.00 0.00 C ATOM 1064 OG SER A 70 -0.895 8.353 -3.060 1.00 0.00 O ATOM 0 H SER A 70 -0.848 5.680 -0.284 1.00 0.00 H new ATOM 0 HA SER A 70 -2.274 6.158 -2.629 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.186 7.846 -1.087 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.371 7.394 -1.751 1.00 0.00 H new ATOM 0 HG SER A 70 -0.540 9.236 -2.826 1.00 0.00 H new ATOM 1070 N ASP A 71 0.498 4.566 -3.088 1.00 0.00 N ATOM 1071 CA ASP A 71 1.338 3.900 -4.077 1.00 0.00 C ATOM 1072 C ASP A 71 0.573 2.780 -4.775 1.00 0.00 C ATOM 1073 O ASP A 71 0.776 2.522 -5.962 1.00 0.00 O ATOM 1074 CB ASP A 71 2.596 3.338 -3.413 1.00 0.00 C ATOM 1075 CG ASP A 71 3.409 4.408 -2.711 1.00 0.00 C ATOM 1076 OD1 ASP A 71 2.827 5.453 -2.351 1.00 0.00 O ATOM 1077 OD2 ASP A 71 4.626 4.202 -2.524 1.00 0.00 O ATOM 0 H ASP A 71 0.687 4.295 -2.123 1.00 0.00 H new ATOM 0 HA ASP A 71 1.629 4.637 -4.825 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.311 2.571 -2.692 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.215 2.852 -4.167 1.00 0.00 H new ATOM 1082 N CYS A 72 -0.306 2.118 -4.031 1.00 0.00 N ATOM 1083 CA CYS A 72 -1.101 1.024 -4.578 1.00 0.00 C ATOM 1084 C CYS A 72 -1.633 1.379 -5.963 1.00 0.00 C ATOM 1085 O CYS A 72 -2.554 2.185 -6.099 1.00 0.00 O ATOM 1086 CB CYS A 72 -2.264 0.693 -3.641 1.00 0.00 C ATOM 1087 SG CYS A 72 -1.763 0.336 -1.941 1.00 0.00 S ATOM 0 H CYS A 72 -0.486 2.320 -3.047 1.00 0.00 H new ATOM 0 HA CYS A 72 -0.457 0.149 -4.669 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.961 1.531 -3.635 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.803 -0.167 -4.038 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.815 0.070 -1.225 1.00 0.00 H new ATOM 1093 N LEU A 73 -1.045 0.773 -6.989 1.00 0.00 N ATOM 1094 CA LEU A 73 -1.459 1.025 -8.365 1.00 0.00 C ATOM 1095 C LEU A 73 -2.858 0.475 -8.623 1.00 0.00 C ATOM 1096 O LEU A 73 -3.684 1.128 -9.261 1.00 0.00 O ATOM 1097 CB LEU A 73 -0.463 0.395 -9.341 1.00 0.00 C ATOM 1098 CG LEU A 73 0.994 0.830 -9.187 1.00 0.00 C ATOM 1099 CD1 LEU A 73 1.924 -0.168 -9.861 1.00 0.00 C ATOM 1100 CD2 LEU A 73 1.198 2.224 -9.762 1.00 0.00 C ATOM 0 H LEU A 73 -0.281 0.104 -6.894 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.479 2.104 -8.520 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.512 -0.688 -9.230 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.785 0.626 -10.357 1.00 0.00 H new ATOM 0 HG LEU A 73 1.234 0.858 -8.124 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.957 0.159 -9.741 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.798 -1.149 -9.403 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.684 -0.229 -10.922 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.241 2.517 -9.644 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.939 2.222 -10.821 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.560 2.932 -9.234 1.00 0.00 H new ATOM 1112 N ARG A 74 -3.117 -0.728 -8.121 1.00 0.00 N ATOM 1113 CA ARG A 74 -4.417 -1.365 -8.296 1.00 0.00 C ATOM 1114 C ARG A 74 -4.570 -2.556 -7.355 1.00 0.00 C ATOM 1115 O ARG A 74 -3.599 -3.251 -7.053 1.00 0.00 O ATOM 1116 CB ARG A 74 -4.594 -1.820 -9.745 1.00 0.00 C ATOM 1117 CG ARG A 74 -5.973 -2.388 -10.041 1.00 0.00 C ATOM 1118 CD ARG A 74 -7.036 -1.301 -10.035 1.00 0.00 C ATOM 1119 NE ARG A 74 -8.364 -1.836 -9.746 1.00 0.00 N ATOM 1120 CZ ARG A 74 -9.493 -1.221 -10.080 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -9.455 -0.056 -10.713 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -10.663 -1.771 -9.783 1.00 0.00 N ATOM 0 H ARG A 74 -2.444 -1.281 -7.590 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.188 -0.633 -8.055 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.409 -0.975 -10.408 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.842 -2.575 -9.974 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.963 -2.883 -11.012 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.222 -3.146 -9.299 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.779 -0.547 -9.291 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.049 -0.802 -11.004 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.428 -2.731 -9.261 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.557 0.370 -10.944 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.323 0.414 -10.968 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.697 -2.667 -9.297 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.529 -1.297 -10.040 1.00 0.00 H new ATOM 1136 N VAL A 75 -5.795 -2.786 -6.894 1.00 0.00 N ATOM 1137 CA VAL A 75 -6.076 -3.893 -5.987 1.00 0.00 C ATOM 1138 C VAL A 75 -7.391 -4.576 -6.345 1.00 0.00 C ATOM 1139 O VAL A 75 -8.277 -3.966 -6.941 1.00 0.00 O ATOM 1140 CB VAL A 75 -6.138 -3.418 -4.523 1.00 0.00 C ATOM 1141 CG1 VAL A 75 -4.936 -2.547 -4.193 1.00 0.00 C ATOM 1142 CG2 VAL A 75 -7.437 -2.672 -4.260 1.00 0.00 C ATOM 0 H VAL A 75 -6.609 -2.220 -7.134 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.259 -4.606 -6.095 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.111 -4.293 -3.873 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.997 -2.221 -3.155 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.020 -3.120 -4.340 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.928 -1.675 -4.847 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.464 -2.344 -3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.497 -1.804 -4.917 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.282 -3.333 -4.454 1.00 0.00 H new ATOM 1152 N ALA A 76 -7.511 -5.847 -5.975 1.00 0.00 N ATOM 1153 CA ALA A 76 -8.719 -6.613 -6.254 1.00 0.00 C ATOM 1154 C ALA A 76 -8.915 -7.723 -5.227 1.00 0.00 C ATOM 1155 O ALA A 76 -8.065 -7.940 -4.365 1.00 0.00 O ATOM 1156 CB ALA A 76 -8.662 -7.195 -7.659 1.00 0.00 C ATOM 0 H ALA A 76 -6.786 -6.368 -5.481 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.572 -5.937 -6.187 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.571 -7.765 -7.854 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.578 -6.386 -8.385 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.796 -7.852 -7.746 1.00 0.00 H new ATOM 1162 N GLU A 77 -10.041 -8.423 -5.326 1.00 0.00 N ATOM 1163 CA GLU A 77 -10.348 -9.510 -4.403 1.00 0.00 C ATOM 1164 C GLU A 77 -10.135 -10.866 -5.070 1.00 0.00 C ATOM 1165 O GLU A 77 -10.785 -11.190 -6.063 1.00 0.00 O ATOM 1166 CB GLU A 77 -11.790 -9.394 -3.906 1.00 0.00 C ATOM 1167 CG GLU A 77 -12.036 -8.179 -3.028 1.00 0.00 C ATOM 1168 CD GLU A 77 -13.469 -7.687 -3.101 1.00 0.00 C ATOM 1169 OE1 GLU A 77 -14.390 -8.523 -2.999 1.00 0.00 O ATOM 1170 OE2 GLU A 77 -13.668 -6.464 -3.261 1.00 0.00 O ATOM 0 H GLU A 77 -10.755 -8.257 -6.035 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.671 -9.433 -3.552 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.459 -9.352 -4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.046 -10.294 -3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.793 -8.427 -1.995 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.364 -7.375 -3.329 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.219 -11.653 -4.516 1.00 0.00 N ATOM 1178 CA ALA A 78 -8.921 -12.974 -5.055 1.00 0.00 C ATOM 1179 C ALA A 78 -9.823 -14.037 -4.435 1.00 0.00 C ATOM 1180 O ALA A 78 -10.611 -14.677 -5.130 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.458 -13.321 -4.822 1.00 0.00 C ATOM 0 H ALA A 78 -8.671 -11.399 -3.694 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.113 -12.953 -6.128 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.249 -14.310 -5.229 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.826 -12.584 -5.317 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.249 -13.318 -3.752 1.00 0.00 H new ATOM 1286 N ASP A 87 -12.054 -20.634 4.353 1.00 0.00 N ATOM 1287 CA ASP A 87 -12.656 -19.734 5.329 1.00 0.00 C ATOM 1288 C ASP A 87 -12.031 -18.344 5.245 1.00 0.00 C ATOM 1289 O ASP A 87 -12.519 -17.394 5.857 1.00 0.00 O ATOM 1290 CB ASP A 87 -12.492 -20.295 6.742 1.00 0.00 C ATOM 1291 CG ASP A 87 -11.114 -20.031 7.314 1.00 0.00 C ATOM 1292 OD1 ASP A 87 -10.118 -20.424 6.671 1.00 0.00 O ATOM 1293 OD2 ASP A 87 -11.030 -19.430 8.406 1.00 0.00 O ATOM 0 HA ASP A 87 -13.719 -19.650 5.101 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -13.244 -19.852 7.395 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.676 -21.369 6.727 1.00 0.00 H new ATOM 1298 N THR A 88 -10.947 -18.234 4.483 1.00 0.00 N ATOM 1299 CA THR A 88 -10.254 -16.962 4.320 1.00 0.00 C ATOM 1300 C THR A 88 -10.402 -16.434 2.898 1.00 0.00 C ATOM 1301 O THR A 88 -10.860 -17.146 2.005 1.00 0.00 O ATOM 1302 CB THR A 88 -8.756 -17.092 4.654 1.00 0.00 C ATOM 1303 OG1 THR A 88 -8.195 -18.214 3.962 1.00 0.00 O ATOM 1304 CG2 THR A 88 -8.548 -17.259 6.152 1.00 0.00 C ATOM 0 H THR A 88 -10.530 -19.010 3.969 1.00 0.00 H new ATOM 0 HA THR A 88 -10.714 -16.260 5.015 1.00 0.00 H new ATOM 0 HB THR A 88 -8.254 -16.179 4.333 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.242 -18.289 4.178 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.483 -17.349 6.364 1.00 0.00 H new ATOM 0 HG22 THR A 88 -8.950 -16.391 6.674 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.063 -18.157 6.493 1.00 0.00 H new ATOM 1312 N SER A 89 -10.009 -15.180 2.694 1.00 0.00 N ATOM 1313 CA SER A 89 -10.101 -14.555 1.380 1.00 0.00 C ATOM 1314 C SER A 89 -8.900 -13.649 1.124 1.00 0.00 C ATOM 1315 O SER A 89 -8.773 -12.584 1.727 1.00 0.00 O ATOM 1316 CB SER A 89 -11.396 -13.749 1.264 1.00 0.00 C ATOM 1317 OG SER A 89 -12.525 -14.603 1.205 1.00 0.00 O ATOM 0 H SER A 89 -9.624 -14.578 3.422 1.00 0.00 H new ATOM 0 HA SER A 89 -10.105 -15.345 0.629 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.488 -13.078 2.118 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.361 -13.125 0.371 1.00 0.00 H new ATOM 0 HG SER A 89 -13.340 -14.063 1.133 1.00 0.00 H new ATOM 1323 N ALA A 90 -8.022 -14.081 0.225 1.00 0.00 N ATOM 1324 CA ALA A 90 -6.832 -13.310 -0.113 1.00 0.00 C ATOM 1325 C ALA A 90 -7.162 -12.198 -1.104 1.00 0.00 C ATOM 1326 O ALA A 90 -8.086 -12.323 -1.907 1.00 0.00 O ATOM 1327 CB ALA A 90 -5.755 -14.223 -0.680 1.00 0.00 C ATOM 0 H ALA A 90 -8.112 -14.961 -0.283 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.457 -12.848 0.800 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -4.872 -13.634 -0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.491 -14.978 0.061 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.129 -14.712 -1.579 1.00 0.00 H new ATOM 1333 N PHE A 91 -6.401 -11.111 -1.040 1.00 0.00 N ATOM 1334 CA PHE A 91 -6.613 -9.976 -1.931 1.00 0.00 C ATOM 1335 C PHE A 91 -5.336 -9.637 -2.694 1.00 0.00 C ATOM 1336 O PHE A 91 -4.246 -10.081 -2.332 1.00 0.00 O ATOM 1337 CB PHE A 91 -7.084 -8.757 -1.135 1.00 0.00 C ATOM 1338 CG PHE A 91 -6.126 -8.339 -0.056 1.00 0.00 C ATOM 1339 CD1 PHE A 91 -5.949 -9.123 1.073 1.00 0.00 C ATOM 1340 CD2 PHE A 91 -5.403 -7.163 -0.171 1.00 0.00 C ATOM 1341 CE1 PHE A 91 -5.070 -8.741 2.068 1.00 0.00 C ATOM 1342 CE2 PHE A 91 -4.521 -6.776 0.821 1.00 0.00 C ATOM 1343 CZ PHE A 91 -4.354 -7.566 1.941 1.00 0.00 C ATOM 0 H PHE A 91 -5.632 -10.992 -0.381 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.383 -10.251 -2.652 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.235 -7.922 -1.819 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.052 -8.979 -0.685 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.505 -10.043 1.176 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.530 -6.542 -1.045 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.943 -9.360 2.944 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.963 -5.857 0.720 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.665 -7.266 2.717 1.00 0.00 H new ATOM 1353 N PHE A 92 -5.479 -8.847 -3.754 1.00 0.00 N ATOM 1354 CA PHE A 92 -4.338 -8.449 -4.570 1.00 0.00 C ATOM 1355 C PHE A 92 -3.815 -7.081 -4.142 1.00 0.00 C ATOM 1356 O PHE A 92 -4.538 -6.287 -3.539 1.00 0.00 O ATOM 1357 CB PHE A 92 -4.728 -8.420 -6.049 1.00 0.00 C ATOM 1358 CG PHE A 92 -4.721 -9.774 -6.698 1.00 0.00 C ATOM 1359 CD1 PHE A 92 -3.526 -10.409 -6.995 1.00 0.00 C ATOM 1360 CD2 PHE A 92 -5.911 -10.413 -7.010 1.00 0.00 C ATOM 1361 CE1 PHE A 92 -3.518 -11.655 -7.593 1.00 0.00 C ATOM 1362 CE2 PHE A 92 -5.909 -11.659 -7.607 1.00 0.00 C ATOM 1363 CZ PHE A 92 -4.710 -12.282 -7.898 1.00 0.00 C ATOM 0 H PHE A 92 -6.374 -8.470 -4.067 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.545 -9.183 -4.425 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.723 -7.985 -6.146 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.040 -7.766 -6.585 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.590 -9.925 -6.757 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.851 -9.931 -6.784 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.580 -12.138 -7.822 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.843 -12.146 -7.846 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.705 -13.257 -8.363 1.00 0.00 H new ATOM 1373 N LEU A 93 -2.553 -6.812 -4.459 1.00 0.00 N ATOM 1374 CA LEU A 93 -1.930 -5.540 -4.108 1.00 0.00 C ATOM 1375 C LEU A 93 -0.706 -5.275 -4.978 1.00 0.00 C ATOM 1376 O LEU A 93 0.344 -5.887 -4.790 1.00 0.00 O ATOM 1377 CB LEU A 93 -1.532 -5.535 -2.631 1.00 0.00 C ATOM 1378 CG LEU A 93 -1.541 -4.172 -1.938 1.00 0.00 C ATOM 1379 CD1 LEU A 93 -1.022 -4.294 -0.513 1.00 0.00 C ATOM 1380 CD2 LEU A 93 -0.712 -3.168 -2.725 1.00 0.00 C ATOM 0 H LEU A 93 -1.941 -7.457 -4.958 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.656 -4.747 -4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.207 -6.199 -2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.531 -5.958 -2.544 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.569 -3.813 -1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.036 -3.314 -0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.657 -4.980 0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.001 -4.676 -0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.730 -2.204 -2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.317 -3.522 -2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.128 -3.058 -3.726 1.00 0.00 H new ATOM 1392 N GLU A 94 -0.850 -4.356 -5.928 1.00 0.00 N ATOM 1393 CA GLU A 94 0.246 -4.008 -6.825 1.00 0.00 C ATOM 1394 C GLU A 94 0.764 -2.603 -6.533 1.00 0.00 C ATOM 1395 O GLU A 94 -0.011 -1.653 -6.423 1.00 0.00 O ATOM 1396 CB GLU A 94 -0.210 -4.103 -8.283 1.00 0.00 C ATOM 1397 CG GLU A 94 0.932 -4.298 -9.266 1.00 0.00 C ATOM 1398 CD GLU A 94 0.452 -4.733 -10.638 1.00 0.00 C ATOM 1399 OE1 GLU A 94 -0.667 -4.339 -11.026 1.00 0.00 O ATOM 1400 OE2 GLU A 94 1.196 -5.466 -11.322 1.00 0.00 O ATOM 0 H GLU A 94 -1.714 -3.840 -6.096 1.00 0.00 H new ATOM 0 HA GLU A 94 1.057 -4.717 -6.658 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.910 -4.933 -8.383 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.753 -3.195 -8.545 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.490 -3.366 -9.359 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.622 -5.045 -8.873 1.00 0.00 H new ATOM 1407 N THR A 95 2.082 -2.479 -6.407 1.00 0.00 N ATOM 1408 CA THR A 95 2.705 -1.192 -6.126 1.00 0.00 C ATOM 1409 C THR A 95 3.873 -0.929 -7.069 1.00 0.00 C ATOM 1410 O THR A 95 4.365 -1.840 -7.735 1.00 0.00 O ATOM 1411 CB THR A 95 3.207 -1.117 -4.672 1.00 0.00 C ATOM 1412 OG1 THR A 95 4.321 -1.998 -4.492 1.00 0.00 O ATOM 1413 CG2 THR A 95 2.099 -1.486 -3.697 1.00 0.00 C ATOM 0 H THR A 95 2.738 -3.255 -6.495 1.00 0.00 H new ATOM 0 HA THR A 95 1.940 -0.431 -6.278 1.00 0.00 H new ATOM 0 HB THR A 95 3.519 -0.092 -4.471 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.155 -2.837 -4.970 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.477 -1.426 -2.677 1.00 0.00 H new ATOM 0 HG22 THR A 95 1.265 -0.795 -3.816 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.760 -2.502 -3.899 1.00 0.00 H new ATOM 1421 N LYS A 96 4.315 0.323 -7.122 1.00 0.00 N ATOM 1422 CA LYS A 96 5.427 0.708 -7.982 1.00 0.00 C ATOM 1423 C LYS A 96 6.594 -0.262 -7.828 1.00 0.00 C ATOM 1424 O LYS A 96 7.348 -0.495 -8.772 1.00 0.00 O ATOM 1425 CB LYS A 96 5.885 2.130 -7.654 1.00 0.00 C ATOM 1426 CG LYS A 96 4.985 3.208 -8.232 1.00 0.00 C ATOM 1427 CD LYS A 96 5.745 4.503 -8.467 1.00 0.00 C ATOM 1428 CE LYS A 96 4.951 5.465 -9.336 1.00 0.00 C ATOM 1429 NZ LYS A 96 5.143 5.191 -10.787 1.00 0.00 N ATOM 0 H LYS A 96 3.919 1.090 -6.578 1.00 0.00 H new ATOM 0 HA LYS A 96 5.083 0.674 -9.016 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.929 2.248 -6.571 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.897 2.273 -8.032 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.557 2.860 -9.172 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.153 3.392 -7.552 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.967 4.975 -7.510 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.700 4.284 -8.944 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.892 5.388 -9.089 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.256 6.488 -9.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.585 5.868 -11.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.150 5.290 -11.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.829 4.223 -11.002 1.00 0.00 H new ATOM 1443 N GLU A 97 6.736 -0.825 -6.632 1.00 0.00 N ATOM 1444 CA GLU A 97 7.812 -1.770 -6.356 1.00 0.00 C ATOM 1445 C GLU A 97 7.545 -3.111 -7.033 1.00 0.00 C ATOM 1446 O GLU A 97 8.221 -3.479 -7.994 1.00 0.00 O ATOM 1447 CB GLU A 97 7.969 -1.971 -4.847 1.00 0.00 C ATOM 1448 CG GLU A 97 9.379 -2.354 -4.428 1.00 0.00 C ATOM 1449 CD GLU A 97 9.624 -2.146 -2.946 1.00 0.00 C ATOM 1450 OE1 GLU A 97 9.141 -1.132 -2.401 1.00 0.00 O ATOM 1451 OE2 GLU A 97 10.298 -2.999 -2.332 1.00 0.00 O ATOM 0 H GLU A 97 6.120 -0.643 -5.839 1.00 0.00 H new ATOM 0 HA GLU A 97 8.737 -1.357 -6.759 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.684 -1.052 -4.335 1.00 0.00 H new ATOM 0 HB3 GLU A 97 7.278 -2.747 -4.518 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.557 -3.400 -4.679 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.096 -1.763 -4.997 1.00 0.00 H new ATOM 1458 N ARG A 98 6.555 -3.837 -6.525 1.00 0.00 N ATOM 1459 CA ARG A 98 6.199 -5.138 -7.078 1.00 0.00 C ATOM 1460 C ARG A 98 4.814 -5.570 -6.606 1.00 0.00 C ATOM 1461 O ARG A 98 4.120 -4.822 -5.916 1.00 0.00 O ATOM 1462 CB ARG A 98 7.237 -6.188 -6.677 1.00 0.00 C ATOM 1463 CG ARG A 98 7.566 -6.183 -5.193 1.00 0.00 C ATOM 1464 CD ARG A 98 8.978 -6.687 -4.935 1.00 0.00 C ATOM 1465 NE ARG A 98 9.210 -7.996 -5.539 1.00 0.00 N ATOM 1466 CZ ARG A 98 10.358 -8.658 -5.440 1.00 0.00 C ATOM 1467 NH1 ARG A 98 11.372 -8.135 -4.764 1.00 0.00 N ATOM 1468 NH2 ARG A 98 10.493 -9.845 -6.017 1.00 0.00 N ATOM 0 H ARG A 98 5.985 -3.546 -5.731 1.00 0.00 H new ATOM 0 HA ARG A 98 6.182 -5.050 -8.164 1.00 0.00 H new ATOM 0 HB2 ARG A 98 6.869 -7.175 -6.956 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.152 -6.017 -7.244 1.00 0.00 H new ATOM 0 HG2 ARG A 98 7.461 -5.172 -4.799 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.851 -6.809 -4.658 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.697 -5.971 -5.333 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.151 -6.748 -3.860 1.00 0.00 H new ATOM 0 HE ARG A 98 8.449 -8.426 -6.066 1.00 0.00 H new ATOM 0 HH11 ARG A 98 11.272 -7.223 -4.319 1.00 0.00 H new ATOM 0 HH12 ARG A 98 12.252 -8.645 -4.689 1.00 0.00 H new ATOM 0 HH21 ARG A 98 9.715 -10.251 -6.537 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.375 -10.352 -5.940 1.00 0.00 H new ATOM 1482 N LEU A 99 4.417 -6.781 -6.981 1.00 0.00 N ATOM 1483 CA LEU A 99 3.115 -7.313 -6.596 1.00 0.00 C ATOM 1484 C LEU A 99 3.210 -8.093 -5.289 1.00 0.00 C ATOM 1485 O LEU A 99 4.045 -8.986 -5.146 1.00 0.00 O ATOM 1486 CB LEU A 99 2.563 -8.215 -7.702 1.00 0.00 C ATOM 1487 CG LEU A 99 1.083 -8.584 -7.591 1.00 0.00 C ATOM 1488 CD1 LEU A 99 0.207 -7.405 -7.985 1.00 0.00 C ATOM 1489 CD2 LEU A 99 0.770 -9.796 -8.457 1.00 0.00 C ATOM 0 H LEU A 99 4.979 -7.413 -7.552 1.00 0.00 H new ATOM 0 HA LEU A 99 2.437 -6.473 -6.448 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.723 -7.720 -8.660 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.146 -9.136 -7.717 1.00 0.00 H new ATOM 0 HG LEU A 99 0.869 -8.838 -6.553 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.842 -7.687 -7.900 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.411 -6.563 -7.324 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.423 -7.119 -9.014 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.287 -10.045 -8.366 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.001 -9.569 -9.498 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.372 -10.643 -8.128 1.00 0.00 H new ATOM 1501 N TYR A 100 2.347 -7.751 -4.338 1.00 0.00 N ATOM 1502 CA TYR A 100 2.334 -8.419 -3.042 1.00 0.00 C ATOM 1503 C TYR A 100 1.004 -9.129 -2.809 1.00 0.00 C ATOM 1504 O TYR A 100 -0.041 -8.490 -2.679 1.00 0.00 O ATOM 1505 CB TYR A 100 2.589 -7.410 -1.922 1.00 0.00 C ATOM 1506 CG TYR A 100 3.947 -6.749 -2.000 1.00 0.00 C ATOM 1507 CD1 TYR A 100 5.099 -7.439 -1.643 1.00 0.00 C ATOM 1508 CD2 TYR A 100 4.078 -5.435 -2.432 1.00 0.00 C ATOM 1509 CE1 TYR A 100 6.341 -6.838 -1.712 1.00 0.00 C ATOM 1510 CE2 TYR A 100 5.316 -4.827 -2.505 1.00 0.00 C ATOM 1511 CZ TYR A 100 6.445 -5.533 -2.144 1.00 0.00 C ATOM 1512 OH TYR A 100 7.681 -4.932 -2.216 1.00 0.00 O ATOM 0 H TYR A 100 1.648 -7.015 -4.441 1.00 0.00 H new ATOM 0 HA TYR A 100 3.129 -9.165 -3.038 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.817 -6.641 -1.955 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.495 -7.915 -0.961 1.00 0.00 H new ATOM 0 HD1 TYR A 100 5.022 -8.462 -1.306 1.00 0.00 H new ATOM 0 HD2 TYR A 100 3.196 -4.879 -2.716 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.226 -7.388 -1.429 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.400 -3.805 -2.843 1.00 0.00 H new ATOM 0 HH TYR A 100 7.579 -4.013 -2.540 1.00 0.00 H new ATOM 1522 N LEU A 101 1.051 -10.456 -2.755 1.00 0.00 N ATOM 1523 CA LEU A 101 -0.150 -11.256 -2.536 1.00 0.00 C ATOM 1524 C LEU A 101 -0.336 -11.565 -1.054 1.00 0.00 C ATOM 1525 O LEU A 101 0.242 -12.518 -0.530 1.00 0.00 O ATOM 1526 CB LEU A 101 -0.071 -12.558 -3.335 1.00 0.00 C ATOM 1527 CG LEU A 101 -1.220 -13.545 -3.125 1.00 0.00 C ATOM 1528 CD1 LEU A 101 -2.475 -13.062 -3.836 1.00 0.00 C ATOM 1529 CD2 LEU A 101 -0.829 -14.932 -3.613 1.00 0.00 C ATOM 0 H LEU A 101 1.907 -11.001 -2.860 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.009 -10.679 -2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.022 -12.308 -4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.863 -13.060 -3.083 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.431 -13.604 -2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.282 -13.777 -3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.767 -12.090 -3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.277 -12.973 -4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.659 -15.621 -3.455 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.589 -14.890 -4.675 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.042 -15.281 -3.058 1.00 0.00 H new ATOM 1541 N LEU A 102 -1.147 -10.754 -0.384 1.00 0.00 N ATOM 1542 CA LEU A 102 -1.412 -10.942 1.038 1.00 0.00 C ATOM 1543 C LEU A 102 -2.750 -11.641 1.256 1.00 0.00 C ATOM 1544 O LEU A 102 -3.630 -11.599 0.396 1.00 0.00 O ATOM 1545 CB LEU A 102 -1.405 -9.594 1.761 1.00 0.00 C ATOM 1546 CG LEU A 102 -0.042 -8.915 1.902 1.00 0.00 C ATOM 1547 CD1 LEU A 102 0.232 -8.014 0.708 1.00 0.00 C ATOM 1548 CD2 LEU A 102 0.028 -8.122 3.199 1.00 0.00 C ATOM 0 H LEU A 102 -1.632 -9.960 -0.802 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.623 -11.572 1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.073 -8.916 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.822 -9.737 2.758 1.00 0.00 H new ATOM 0 HG LEU A 102 0.726 -9.688 1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.206 -7.540 0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.226 -8.609 -0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.540 -7.247 0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.005 -7.646 3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.749 -7.358 3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.121 -8.793 4.045 1.00 0.00 H new ATOM 1560 N ALA A 103 -2.897 -12.282 2.411 1.00 0.00 N ATOM 1561 CA ALA A 103 -4.129 -12.986 2.742 1.00 0.00 C ATOM 1562 C ALA A 103 -4.862 -12.299 3.890 1.00 0.00 C ATOM 1563 O ALA A 103 -4.240 -11.822 4.839 1.00 0.00 O ATOM 1564 CB ALA A 103 -3.830 -14.435 3.097 1.00 0.00 C ATOM 0 H ALA A 103 -2.178 -12.328 3.133 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.777 -12.964 1.866 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.760 -14.949 3.342 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.356 -14.927 2.248 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.160 -14.468 3.956 1.00 0.00 H new ATOM 1570 N ALA A 104 -6.186 -12.252 3.796 1.00 0.00 N ATOM 1571 CA ALA A 104 -7.004 -11.625 4.827 1.00 0.00 C ATOM 1572 C ALA A 104 -8.255 -12.448 5.112 1.00 0.00 C ATOM 1573 O ALA A 104 -8.761 -13.170 4.253 1.00 0.00 O ATOM 1574 CB ALA A 104 -7.382 -10.211 4.413 1.00 0.00 C ATOM 0 H ALA A 104 -6.716 -12.641 3.016 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.416 -11.578 5.744 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -7.993 -9.755 5.192 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.478 -9.620 4.268 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -7.947 -10.243 3.481 1.00 0.00 H new ATOM 1580 N PRO A 105 -8.768 -12.339 6.347 1.00 0.00 N ATOM 1581 CA PRO A 105 -9.967 -13.066 6.773 1.00 0.00 C ATOM 1582 C PRO A 105 -11.231 -12.547 6.097 1.00 0.00 C ATOM 1583 O PRO A 105 -11.597 -11.383 6.254 1.00 0.00 O ATOM 1584 CB PRO A 105 -10.022 -12.807 8.281 1.00 0.00 C ATOM 1585 CG PRO A 105 -9.294 -11.521 8.471 1.00 0.00 C ATOM 1586 CD PRO A 105 -8.217 -11.497 7.422 1.00 0.00 C ATOM 0 HA PRO A 105 -9.918 -14.123 6.510 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -11.051 -12.735 8.633 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -9.550 -13.616 8.839 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -9.967 -10.671 8.359 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.866 -11.459 9.472 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -8.016 -10.483 7.075 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.277 -11.896 7.803 1.00 0.00 H new ATOM 1594 N ALA A 106 -11.895 -13.419 5.344 1.00 0.00 N ATOM 1595 CA ALA A 106 -13.119 -13.048 4.646 1.00 0.00 C ATOM 1596 C ALA A 106 -13.986 -12.134 5.505 1.00 0.00 C ATOM 1597 O ALA A 106 -14.771 -11.341 4.987 1.00 0.00 O ATOM 1598 CB ALA A 106 -13.896 -14.294 4.247 1.00 0.00 C ATOM 0 H ALA A 106 -11.605 -14.387 5.202 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.843 -12.500 3.745 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -14.808 -14.003 3.726 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.283 -14.910 3.589 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -14.154 -14.863 5.140 1.00 0.00 H new ATOM 1604 N ALA A 107 -13.839 -12.252 6.820 1.00 0.00 N ATOM 1605 CA ALA A 107 -14.608 -11.435 7.751 1.00 0.00 C ATOM 1606 C ALA A 107 -14.192 -9.970 7.669 1.00 0.00 C ATOM 1607 O ALA A 107 -15.037 -9.077 7.635 1.00 0.00 O ATOM 1608 CB ALA A 107 -14.440 -11.954 9.172 1.00 0.00 C ATOM 0 H ALA A 107 -13.195 -12.905 7.265 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.660 -11.503 7.472 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -15.020 -11.335 9.856 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.793 -12.984 9.227 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.387 -11.916 9.451 1.00 0.00 H new ATOM 1614 N GLU A 108 -12.884 -9.731 7.637 1.00 0.00 N ATOM 1615 CA GLU A 108 -12.358 -8.374 7.560 1.00 0.00 C ATOM 1616 C GLU A 108 -12.248 -7.914 6.109 1.00 0.00 C ATOM 1617 O GLU A 108 -12.540 -6.762 5.789 1.00 0.00 O ATOM 1618 CB GLU A 108 -10.987 -8.296 8.236 1.00 0.00 C ATOM 1619 CG GLU A 108 -10.965 -8.882 9.638 1.00 0.00 C ATOM 1620 CD GLU A 108 -9.576 -8.892 10.244 1.00 0.00 C ATOM 1621 OE1 GLU A 108 -8.614 -9.216 9.517 1.00 0.00 O ATOM 1622 OE2 GLU A 108 -9.450 -8.576 11.446 1.00 0.00 O ATOM 0 H GLU A 108 -12.170 -10.459 7.663 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.051 -7.713 8.081 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.257 -8.822 7.620 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -10.673 -7.253 8.282 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.633 -8.306 10.279 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.352 -9.901 9.608 1.00 0.00 H new ATOM 1629 N ARG A 109 -11.826 -8.823 5.237 1.00 0.00 N ATOM 1630 CA ARG A 109 -11.676 -8.511 3.821 1.00 0.00 C ATOM 1631 C ARG A 109 -12.747 -7.525 3.365 1.00 0.00 C ATOM 1632 O ARG A 109 -12.440 -6.418 2.926 1.00 0.00 O ATOM 1633 CB ARG A 109 -11.755 -9.790 2.984 1.00 0.00 C ATOM 1634 CG ARG A 109 -11.314 -9.602 1.541 1.00 0.00 C ATOM 1635 CD ARG A 109 -12.033 -10.565 0.610 1.00 0.00 C ATOM 1636 NE ARG A 109 -13.290 -10.011 0.113 1.00 0.00 N ATOM 1637 CZ ARG A 109 -14.125 -10.676 -0.677 1.00 0.00 C ATOM 1638 NH1 ARG A 109 -13.838 -11.913 -1.059 1.00 0.00 N ATOM 1639 NH2 ARG A 109 -15.250 -10.105 -1.087 1.00 0.00 N ATOM 0 H ARG A 109 -11.582 -9.782 5.486 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.698 -8.051 3.678 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.134 -10.557 3.448 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.780 -10.160 2.996 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -11.512 -8.576 1.229 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.238 -9.756 1.465 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -11.385 -10.806 -0.233 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -12.231 -11.498 1.137 1.00 0.00 H new ATOM 0 HE ARG A 109 -13.540 -9.061 0.388 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -12.974 -12.356 -0.746 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -14.481 -12.422 -1.666 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -15.475 -9.154 -0.796 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -15.890 -10.617 -1.694 1.00 0.00 H new ATOM 1653 N GLY A 110 -14.007 -7.936 3.472 1.00 0.00 N ATOM 1654 CA GLY A 110 -15.105 -7.078 3.067 1.00 0.00 C ATOM 1655 C GLY A 110 -14.851 -5.619 3.394 1.00 0.00 C ATOM 1656 O GLY A 110 -15.093 -4.740 2.567 1.00 0.00 O ATOM 0 H GLY A 110 -14.287 -8.848 3.832 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -15.268 -7.184 1.995 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -16.019 -7.405 3.563 1.00 0.00 H new ATOM 1660 N ASP A 111 -14.365 -5.362 4.603 1.00 0.00 N ATOM 1661 CA ASP A 111 -14.080 -3.999 5.038 1.00 0.00 C ATOM 1662 C ASP A 111 -12.722 -3.536 4.518 1.00 0.00 C ATOM 1663 O ASP A 111 -12.606 -2.462 3.928 1.00 0.00 O ATOM 1664 CB ASP A 111 -14.112 -3.912 6.564 1.00 0.00 C ATOM 1665 CG ASP A 111 -15.517 -3.726 7.104 1.00 0.00 C ATOM 1666 OD1 ASP A 111 -16.163 -2.720 6.744 1.00 0.00 O ATOM 1667 OD2 ASP A 111 -15.971 -4.588 7.886 1.00 0.00 O ATOM 0 H ASP A 111 -14.160 -6.079 5.299 1.00 0.00 H new ATOM 0 HA ASP A 111 -14.849 -3.344 4.628 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -13.681 -4.820 6.986 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -13.487 -3.081 6.891 1.00 0.00 H new ATOM 1672 N TRP A 112 -11.699 -4.353 4.743 1.00 0.00 N ATOM 1673 CA TRP A 112 -10.349 -4.026 4.298 1.00 0.00 C ATOM 1674 C TRP A 112 -10.367 -3.431 2.894 1.00 0.00 C ATOM 1675 O TRP A 112 -10.189 -2.226 2.718 1.00 0.00 O ATOM 1676 CB TRP A 112 -9.465 -5.274 4.325 1.00 0.00 C ATOM 1677 CG TRP A 112 -8.825 -5.519 5.658 1.00 0.00 C ATOM 1678 CD1 TRP A 112 -9.033 -6.588 6.482 1.00 0.00 C ATOM 1679 CD2 TRP A 112 -7.874 -4.678 6.320 1.00 0.00 C ATOM 1680 NE1 TRP A 112 -8.269 -6.462 7.617 1.00 0.00 N ATOM 1681 CE2 TRP A 112 -7.548 -5.299 7.542 1.00 0.00 C ATOM 1682 CE3 TRP A 112 -7.264 -3.462 5.999 1.00 0.00 C ATOM 1683 CZ2 TRP A 112 -6.642 -4.743 8.440 1.00 0.00 C ATOM 1684 CZ3 TRP A 112 -6.365 -2.912 6.892 1.00 0.00 C ATOM 1685 CH2 TRP A 112 -6.060 -3.552 8.100 1.00 0.00 C ATOM 0 H TRP A 112 -11.778 -5.246 5.230 1.00 0.00 H new ATOM 0 HA TRP A 112 -9.938 -3.283 4.982 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -10.066 -6.142 4.053 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.686 -5.176 3.569 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -9.700 -7.411 6.272 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -8.243 -7.127 8.390 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.491 -2.961 5.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -6.406 -5.234 9.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -5.889 -1.972 6.655 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -5.352 -3.097 8.776 1.00 0.00 H new ATOM 1696 N VAL A 113 -10.585 -4.283 1.898 1.00 0.00 N ATOM 1697 CA VAL A 113 -10.628 -3.841 0.509 1.00 0.00 C ATOM 1698 C VAL A 113 -11.387 -2.525 0.375 1.00 0.00 C ATOM 1699 O VAL A 113 -11.017 -1.663 -0.421 1.00 0.00 O ATOM 1700 CB VAL A 113 -11.288 -4.897 -0.396 1.00 0.00 C ATOM 1701 CG1 VAL A 113 -11.436 -4.368 -1.815 1.00 0.00 C ATOM 1702 CG2 VAL A 113 -10.484 -6.188 -0.382 1.00 0.00 C ATOM 0 H VAL A 113 -10.735 -5.284 2.027 1.00 0.00 H new ATOM 0 HA VAL A 113 -9.596 -3.696 0.190 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.284 -5.111 -0.008 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.904 -5.128 -2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -12.057 -3.472 -1.806 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.453 -4.124 -2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.965 -6.923 -1.027 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -9.475 -5.992 -0.745 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.435 -6.575 0.636 1.00 0.00 H new ATOM 1712 N GLN A 114 -12.451 -2.380 1.158 1.00 0.00 N ATOM 1713 CA GLN A 114 -13.262 -1.169 1.126 1.00 0.00 C ATOM 1714 C GLN A 114 -12.454 0.041 1.583 1.00 0.00 C ATOM 1715 O GLN A 114 -12.260 0.991 0.826 1.00 0.00 O ATOM 1716 CB GLN A 114 -14.499 -1.335 2.011 1.00 0.00 C ATOM 1717 CG GLN A 114 -15.594 -0.321 1.723 1.00 0.00 C ATOM 1718 CD GLN A 114 -16.232 -0.522 0.363 1.00 0.00 C ATOM 1719 OE1 GLN A 114 -15.739 -1.296 -0.459 1.00 0.00 O ATOM 1720 NE2 GLN A 114 -17.335 0.175 0.117 1.00 0.00 N ATOM 0 H GLN A 114 -12.771 -3.085 1.822 1.00 0.00 H new ATOM 0 HA GLN A 114 -13.580 -1.002 0.097 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.900 -2.339 1.875 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -14.202 -1.249 3.056 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -16.361 -0.392 2.494 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -15.177 0.684 1.779 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -17.709 0.805 0.827 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -17.808 0.080 -0.782 1.00 0.00 H new ATOM 1729 N ALA A 115 -11.986 -0.002 2.826 1.00 0.00 N ATOM 1730 CA ALA A 115 -11.197 1.090 3.383 1.00 0.00 C ATOM 1731 C ALA A 115 -9.927 1.320 2.570 1.00 0.00 C ATOM 1732 O ALA A 115 -9.661 2.435 2.121 1.00 0.00 O ATOM 1733 CB ALA A 115 -10.851 0.803 4.837 1.00 0.00 C ATOM 0 H ALA A 115 -12.139 -0.781 3.466 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.796 1.999 3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -10.262 1.627 5.240 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -11.769 0.696 5.415 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.274 -0.120 4.898 1.00 0.00 H new ATOM 1739 N ILE A 116 -9.148 0.260 2.387 1.00 0.00 N ATOM 1740 CA ILE A 116 -7.906 0.348 1.628 1.00 0.00 C ATOM 1741 C ILE A 116 -8.131 1.033 0.284 1.00 0.00 C ATOM 1742 O ILE A 116 -7.466 2.018 -0.040 1.00 0.00 O ATOM 1743 CB ILE A 116 -7.295 -1.045 1.385 1.00 0.00 C ATOM 1744 CG1 ILE A 116 -6.828 -1.658 2.707 1.00 0.00 C ATOM 1745 CG2 ILE A 116 -6.139 -0.951 0.400 1.00 0.00 C ATOM 1746 CD1 ILE A 116 -6.431 -3.113 2.590 1.00 0.00 C ATOM 0 H ILE A 116 -9.354 -0.669 2.753 1.00 0.00 H new ATOM 0 HA ILE A 116 -7.213 0.941 2.224 1.00 0.00 H new ATOM 0 HB ILE A 116 -8.060 -1.692 0.956 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -5.979 -1.087 3.083 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -7.626 -1.565 3.443 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -5.717 -1.943 0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -6.500 -0.551 -0.548 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -5.370 -0.291 0.803 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.111 -3.482 3.564 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.284 -3.696 2.243 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -5.612 -3.210 1.878 1.00 0.00 H new ATOM 1758 N CYS A 117 -9.072 0.508 -0.492 1.00 0.00 N ATOM 1759 CA CYS A 117 -9.385 1.069 -1.801 1.00 0.00 C ATOM 1760 C CYS A 117 -9.839 2.520 -1.676 1.00 0.00 C ATOM 1761 O CYS A 117 -9.508 3.360 -2.514 1.00 0.00 O ATOM 1762 CB CYS A 117 -10.472 0.241 -2.488 1.00 0.00 C ATOM 1763 SG CYS A 117 -10.754 0.683 -4.218 1.00 0.00 S ATOM 0 H CYS A 117 -9.632 -0.306 -0.237 1.00 0.00 H new ATOM 0 HA CYS A 117 -8.479 1.040 -2.406 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -10.200 -0.813 -2.433 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -11.405 0.358 -1.937 1.00 0.00 H new ATOM 0 HG CYS A 117 -9.709 1.300 -4.684 1.00 0.00 H new ATOM 1769 N LEU A 118 -10.598 2.808 -0.625 1.00 0.00 N ATOM 1770 CA LEU A 118 -11.099 4.158 -0.390 1.00 0.00 C ATOM 1771 C LEU A 118 -9.949 5.153 -0.273 1.00 0.00 C ATOM 1772 O LEU A 118 -10.013 6.258 -0.813 1.00 0.00 O ATOM 1773 CB LEU A 118 -11.950 4.193 0.881 1.00 0.00 C ATOM 1774 CG LEU A 118 -13.438 3.891 0.701 1.00 0.00 C ATOM 1775 CD1 LEU A 118 -14.054 3.439 2.016 1.00 0.00 C ATOM 1776 CD2 LEU A 118 -14.169 5.112 0.160 1.00 0.00 C ATOM 0 H LEU A 118 -10.880 2.125 0.078 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.717 4.443 -1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.537 3.476 1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -11.852 5.180 1.333 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.539 3.081 -0.022 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -15.113 3.229 1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.550 2.537 2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.941 4.227 2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -15.227 4.878 0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -14.059 5.941 0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.746 5.392 -0.805 1.00 0.00 H new ATOM 1788 N LEU A 119 -8.898 4.753 0.434 1.00 0.00 N ATOM 1789 CA LEU A 119 -7.731 5.609 0.620 1.00 0.00 C ATOM 1790 C LEU A 119 -6.748 5.449 -0.536 1.00 0.00 C ATOM 1791 O LEU A 119 -6.485 6.396 -1.276 1.00 0.00 O ATOM 1792 CB LEU A 119 -7.038 5.280 1.943 1.00 0.00 C ATOM 1793 CG LEU A 119 -7.659 5.895 3.197 1.00 0.00 C ATOM 1794 CD1 LEU A 119 -7.031 5.303 4.450 1.00 0.00 C ATOM 1795 CD2 LEU A 119 -7.502 7.408 3.183 1.00 0.00 C ATOM 0 H LEU A 119 -8.830 3.842 0.888 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.071 6.644 0.643 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.024 4.197 2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -6.000 5.607 1.878 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.723 5.661 3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.486 5.753 5.332 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.197 4.226 4.466 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -5.960 5.505 4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.950 7.829 4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.443 7.664 3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.001 7.817 2.304 1.00 0.00 H new ATOM 1807 N ALA A 120 -6.211 4.242 -0.685 1.00 0.00 N ATOM 1808 CA ALA A 120 -5.260 3.957 -1.753 1.00 0.00 C ATOM 1809 C ALA A 120 -5.671 4.643 -3.051 1.00 0.00 C ATOM 1810 O ALA A 120 -4.822 5.055 -3.843 1.00 0.00 O ATOM 1811 CB ALA A 120 -5.139 2.454 -1.964 1.00 0.00 C ATOM 0 H ALA A 120 -6.418 3.447 -0.080 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.288 4.351 -1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.426 2.255 -2.764 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.792 1.984 -1.044 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.112 2.045 -2.236 1.00 0.00 H new ATOM 1817 N PHE A 121 -6.977 4.763 -3.265 1.00 0.00 N ATOM 1818 CA PHE A 121 -7.500 5.398 -4.469 1.00 0.00 C ATOM 1819 C PHE A 121 -8.130 6.749 -4.141 1.00 0.00 C ATOM 1820 O PHE A 121 -9.210 7.078 -4.631 1.00 0.00 O ATOM 1821 CB PHE A 121 -8.532 4.492 -5.143 1.00 0.00 C ATOM 1822 CG PHE A 121 -7.995 3.136 -5.502 1.00 0.00 C ATOM 1823 CD1 PHE A 121 -7.538 2.274 -4.518 1.00 0.00 C ATOM 1824 CD2 PHE A 121 -7.946 2.724 -6.824 1.00 0.00 C ATOM 1825 CE1 PHE A 121 -7.043 1.025 -4.846 1.00 0.00 C ATOM 1826 CE2 PHE A 121 -7.453 1.477 -7.157 1.00 0.00 C ATOM 1827 CZ PHE A 121 -7.000 0.627 -6.167 1.00 0.00 C ATOM 0 H PHE A 121 -7.693 4.429 -2.620 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.668 5.561 -5.154 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -9.387 4.371 -4.478 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -8.897 4.980 -6.046 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.569 2.581 -3.483 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -8.297 3.385 -7.603 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.691 0.362 -4.070 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -7.422 1.167 -8.191 1.00 0.00 H new ATOM 0 HZ PHE A 121 -6.613 -0.347 -6.426 1.00 0.00 H new