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 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 100 TYR OH : rot 141:sc= 0.0846 USER MOD Single : A 14 LYS NZ :NH3+ -110:sc= 0.521 (180deg=-0.765) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0.24 X(o=0.24,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot -131:sc= -3.52! USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -0.379 USER MOD Single : A 95 THR OG1 : rot -22:sc= 0.452 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 CYS SG : rot 31:sc= 0.113 USER MOD ----------------------------------------------------------------- ATOM 119 N VAL A 13 -7.300 4.136 12.019 1.00 0.00 N ATOM 120 CA VAL A 13 -8.687 3.939 11.614 1.00 0.00 C ATOM 121 C VAL A 13 -9.128 2.498 11.847 1.00 0.00 C ATOM 122 O VAL A 13 -10.212 2.246 12.375 1.00 0.00 O ATOM 123 CB VAL A 13 -8.894 4.294 10.130 1.00 0.00 C ATOM 124 CG1 VAL A 13 -10.340 4.057 9.720 1.00 0.00 C ATOM 125 CG2 VAL A 13 -8.485 5.735 9.865 1.00 0.00 C ATOM 0 HA VAL A 13 -9.294 4.605 12.227 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.260 3.644 9.527 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.467 4.313 8.668 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.594 3.008 9.871 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.997 4.680 10.327 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.638 5.969 8.811 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.091 6.404 10.477 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.433 5.867 10.117 1.00 0.00 H new ATOM 135 N LYS A 14 -8.282 1.554 11.450 1.00 0.00 N ATOM 136 CA LYS A 14 -8.582 0.137 11.617 1.00 0.00 C ATOM 137 C LYS A 14 -7.308 -0.662 11.872 1.00 0.00 C ATOM 138 O LYS A 14 -6.314 -0.506 11.163 1.00 0.00 O ATOM 139 CB LYS A 14 -9.295 -0.403 10.375 1.00 0.00 C ATOM 140 CG LYS A 14 -9.784 -1.833 10.529 1.00 0.00 C ATOM 141 CD LYS A 14 -10.224 -2.419 9.198 1.00 0.00 C ATOM 142 CE LYS A 14 -10.650 -3.872 9.341 1.00 0.00 C ATOM 143 NZ LYS A 14 -12.047 -3.994 9.841 1.00 0.00 N ATOM 0 H LYS A 14 -7.382 1.745 11.010 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.237 0.029 12.481 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.145 0.240 10.145 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.616 -0.350 9.524 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.989 -2.447 10.952 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.616 -1.860 11.232 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.052 -1.834 8.798 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.407 -2.347 8.480 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.565 -4.372 8.376 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.973 -4.383 10.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.037 -4.362 10.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.503 -3.059 9.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.579 -4.646 9.230 1.00 0.00 H new ATOM 157 N GLN A 15 -7.347 -1.519 12.888 1.00 0.00 N ATOM 158 CA GLN A 15 -6.195 -2.343 13.235 1.00 0.00 C ATOM 159 C GLN A 15 -6.526 -3.826 13.099 1.00 0.00 C ATOM 160 O GLN A 15 -7.635 -4.256 13.412 1.00 0.00 O ATOM 161 CB GLN A 15 -5.736 -2.040 14.663 1.00 0.00 C ATOM 162 CG GLN A 15 -4.753 -0.884 14.753 1.00 0.00 C ATOM 163 CD GLN A 15 -4.409 -0.521 16.184 1.00 0.00 C ATOM 164 OE1 GLN A 15 -3.296 -0.768 16.649 1.00 0.00 O ATOM 165 NE2 GLN A 15 -5.366 0.069 16.892 1.00 0.00 N ATOM 0 H GLN A 15 -8.163 -1.660 13.484 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.388 -2.104 12.543 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.608 -1.813 15.276 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.274 -2.933 15.085 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.840 -1.146 14.219 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.176 -0.013 14.253 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -6.274 0.255 16.467 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.192 0.336 17.861 1.00 0.00 H new ATOM 174 N GLY A 16 -5.554 -4.603 12.629 1.00 0.00 N ATOM 175 CA GLY A 16 -5.762 -6.029 12.459 1.00 0.00 C ATOM 176 C GLY A 16 -4.477 -6.769 12.148 1.00 0.00 C ATOM 177 O GLY A 16 -3.387 -6.204 12.246 1.00 0.00 O ATOM 0 H GLY A 16 -4.627 -4.270 12.363 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.203 -6.439 13.367 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.477 -6.195 11.654 1.00 0.00 H new ATOM 181 N PHE A 17 -4.602 -8.038 11.774 1.00 0.00 N ATOM 182 CA PHE A 17 -3.441 -8.858 11.450 1.00 0.00 C ATOM 183 C PHE A 17 -3.563 -9.445 10.047 1.00 0.00 C ATOM 184 O PHE A 17 -4.507 -10.177 9.747 1.00 0.00 O ATOM 185 CB PHE A 17 -3.284 -9.985 12.474 1.00 0.00 C ATOM 186 CG PHE A 17 -3.541 -9.550 13.888 1.00 0.00 C ATOM 187 CD1 PHE A 17 -2.594 -8.817 14.585 1.00 0.00 C ATOM 188 CD2 PHE A 17 -4.731 -9.874 14.521 1.00 0.00 C ATOM 189 CE1 PHE A 17 -2.828 -8.415 15.886 1.00 0.00 C ATOM 190 CE2 PHE A 17 -4.970 -9.474 15.822 1.00 0.00 C ATOM 191 CZ PHE A 17 -4.018 -8.745 16.506 1.00 0.00 C ATOM 0 H PHE A 17 -5.496 -8.521 11.688 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.558 -8.220 11.482 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.970 -10.793 12.221 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.274 -10.390 12.405 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.662 -8.557 14.106 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.479 -10.445 13.992 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.082 -7.843 16.418 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.902 -9.732 16.304 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.203 -8.433 17.523 1.00 0.00 H new ATOM 201 N LEU A 18 -2.602 -9.117 9.190 1.00 0.00 N ATOM 202 CA LEU A 18 -2.600 -9.610 7.817 1.00 0.00 C ATOM 203 C LEU A 18 -1.525 -10.674 7.621 1.00 0.00 C ATOM 204 O LEU A 18 -0.653 -10.853 8.471 1.00 0.00 O ATOM 205 CB LEU A 18 -2.375 -8.455 6.839 1.00 0.00 C ATOM 206 CG LEU A 18 -3.547 -7.490 6.659 1.00 0.00 C ATOM 207 CD1 LEU A 18 -3.083 -6.206 5.989 1.00 0.00 C ATOM 208 CD2 LEU A 18 -4.658 -8.145 5.850 1.00 0.00 C ATOM 0 H LEU A 18 -1.814 -8.512 9.422 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.572 -10.062 7.619 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.509 -7.885 7.175 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.123 -8.874 5.865 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.941 -7.240 7.644 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.931 -5.531 5.869 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.323 -5.728 6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.662 -6.438 5.010 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.484 -7.444 5.732 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.276 -8.425 4.868 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.010 -9.036 6.370 1.00 0.00 H new ATOM 220 N TYR A 19 -1.592 -11.375 6.495 1.00 0.00 N ATOM 221 CA TYR A 19 -0.625 -12.422 6.188 1.00 0.00 C ATOM 222 C TYR A 19 0.082 -12.139 4.865 1.00 0.00 C ATOM 223 O TYR A 19 -0.560 -11.994 3.824 1.00 0.00 O ATOM 224 CB TYR A 19 -1.317 -13.784 6.128 1.00 0.00 C ATOM 225 CG TYR A 19 -2.351 -13.986 7.212 1.00 0.00 C ATOM 226 CD1 TYR A 19 -2.001 -13.918 8.555 1.00 0.00 C ATOM 227 CD2 TYR A 19 -3.679 -14.244 6.893 1.00 0.00 C ATOM 228 CE1 TYR A 19 -2.943 -14.103 9.549 1.00 0.00 C ATOM 229 CE2 TYR A 19 -4.628 -14.428 7.881 1.00 0.00 C ATOM 230 CZ TYR A 19 -4.255 -14.357 9.207 1.00 0.00 C ATOM 231 OH TYR A 19 -5.196 -14.540 10.194 1.00 0.00 O ATOM 0 H TYR A 19 -2.306 -11.237 5.780 1.00 0.00 H new ATOM 0 HA TYR A 19 0.121 -12.437 6.983 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.796 -13.896 5.155 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.564 -14.568 6.205 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.975 -13.717 8.827 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.974 -14.302 5.856 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.654 -14.049 10.588 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.656 -14.626 7.616 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.071 -14.708 9.785 1.00 0.00 H new ATOM 241 N LEU A 20 1.407 -12.062 4.915 1.00 0.00 N ATOM 242 CA LEU A 20 2.203 -11.798 3.721 1.00 0.00 C ATOM 243 C LEU A 20 3.132 -12.968 3.416 1.00 0.00 C ATOM 244 O LEU A 20 3.965 -13.343 4.241 1.00 0.00 O ATOM 245 CB LEU A 20 3.020 -10.517 3.902 1.00 0.00 C ATOM 246 CG LEU A 20 3.969 -10.159 2.759 1.00 0.00 C ATOM 247 CD1 LEU A 20 3.186 -9.822 1.500 1.00 0.00 C ATOM 248 CD2 LEU A 20 4.869 -8.998 3.156 1.00 0.00 C ATOM 0 H LEU A 20 1.953 -12.178 5.769 1.00 0.00 H new ATOM 0 HA LEU A 20 1.521 -11.671 2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.329 -9.687 4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.604 -10.609 4.817 1.00 0.00 H new ATOM 0 HG LEU A 20 4.597 -11.025 2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.879 -9.570 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.585 -10.682 1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.532 -8.972 1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.538 -8.757 2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.257 -8.128 3.393 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.458 -9.276 4.030 1.00 0.00 H new ATOM 260 N GLN A 21 2.985 -13.540 2.225 1.00 0.00 N ATOM 261 CA GLN A 21 3.813 -14.667 1.811 1.00 0.00 C ATOM 262 C GLN A 21 5.238 -14.214 1.510 1.00 0.00 C ATOM 263 O GLN A 21 5.472 -13.463 0.563 1.00 0.00 O ATOM 264 CB GLN A 21 3.209 -15.345 0.580 1.00 0.00 C ATOM 265 CG GLN A 21 3.639 -16.793 0.412 1.00 0.00 C ATOM 266 CD GLN A 21 2.933 -17.481 -0.740 1.00 0.00 C ATOM 267 OE1 GLN A 21 3.452 -17.541 -1.855 1.00 0.00 O ATOM 268 NE2 GLN A 21 1.741 -18.005 -0.476 1.00 0.00 N ATOM 0 H GLN A 21 2.301 -13.242 1.530 1.00 0.00 H new ATOM 0 HA GLN A 21 3.845 -15.383 2.632 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.122 -15.303 0.649 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.494 -14.784 -0.310 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.716 -16.832 0.248 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.437 -17.338 1.334 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.348 -17.932 0.463 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.218 -18.480 -1.212 1.00 0.00 H new ATOM 413 N TRP A 30 2.887 -18.572 4.998 1.00 0.00 N ATOM 414 CA TRP A 30 2.060 -17.445 5.414 1.00 0.00 C ATOM 415 C TRP A 30 2.419 -16.999 6.827 1.00 0.00 C ATOM 416 O TRP A 30 2.126 -17.695 7.800 1.00 0.00 O ATOM 417 CB TRP A 30 0.579 -17.819 5.344 1.00 0.00 C ATOM 418 CG TRP A 30 0.045 -17.871 3.945 1.00 0.00 C ATOM 419 CD1 TRP A 30 -0.443 -18.969 3.294 1.00 0.00 C ATOM 420 CD2 TRP A 30 -0.054 -16.780 3.024 1.00 0.00 C ATOM 421 NE1 TRP A 30 -0.838 -18.625 2.024 1.00 0.00 N ATOM 422 CE2 TRP A 30 -0.611 -17.288 1.834 1.00 0.00 C ATOM 423 CE3 TRP A 30 0.272 -15.423 3.088 1.00 0.00 C ATOM 424 CZ2 TRP A 30 -0.846 -16.486 0.721 1.00 0.00 C ATOM 425 CZ3 TRP A 30 0.038 -14.628 1.983 1.00 0.00 C ATOM 426 CH2 TRP A 30 -0.517 -15.160 0.812 1.00 0.00 C ATOM 0 HA TRP A 30 2.250 -16.616 4.732 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.434 -18.790 5.817 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.001 -17.095 5.919 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -0.508 -19.961 3.716 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -1.236 -19.262 1.334 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.700 -15.003 3.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.273 -16.895 -0.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.287 -13.578 2.022 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -0.689 -14.512 -0.035 1.00 0.00 H new ATOM 437 N ARG A 31 3.054 -15.837 6.934 1.00 0.00 N ATOM 438 CA ARG A 31 3.453 -15.300 8.229 1.00 0.00 C ATOM 439 C ARG A 31 2.528 -14.164 8.656 1.00 0.00 C ATOM 440 O ARG A 31 1.897 -13.517 7.820 1.00 0.00 O ATOM 441 CB ARG A 31 4.899 -14.802 8.175 1.00 0.00 C ATOM 442 CG ARG A 31 5.928 -15.890 8.435 1.00 0.00 C ATOM 443 CD ARG A 31 7.336 -15.319 8.506 1.00 0.00 C ATOM 444 NE ARG A 31 8.214 -16.132 9.343 1.00 0.00 N ATOM 445 CZ ARG A 31 8.679 -17.323 8.980 1.00 0.00 C ATOM 446 NH1 ARG A 31 8.351 -17.835 7.802 1.00 0.00 N ATOM 447 NH2 ARG A 31 9.474 -18.003 9.796 1.00 0.00 N ATOM 0 H ARG A 31 3.303 -15.249 6.139 1.00 0.00 H new ATOM 0 HA ARG A 31 3.379 -16.101 8.964 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.087 -14.363 7.195 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.029 -14.008 8.910 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.693 -16.399 9.370 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.877 -16.638 7.643 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.752 -15.254 7.501 1.00 0.00 H new ATOM 0 HD3 ARG A 31 7.296 -14.304 8.901 1.00 0.00 H new ATOM 0 HE ARG A 31 8.485 -15.766 10.256 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.741 -17.315 7.172 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.709 -18.749 7.526 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.729 -17.612 10.703 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.830 -18.917 9.516 1.00 0.00 H new ATOM 461 N ARG A 32 2.452 -13.928 9.961 1.00 0.00 N ATOM 462 CA ARG A 32 1.603 -12.872 10.499 1.00 0.00 C ATOM 463 C ARG A 32 2.396 -11.582 10.691 1.00 0.00 C ATOM 464 O ARG A 32 3.401 -11.559 11.402 1.00 0.00 O ATOM 465 CB ARG A 32 0.989 -13.309 11.830 1.00 0.00 C ATOM 466 CG ARG A 32 0.047 -12.280 12.433 1.00 0.00 C ATOM 467 CD ARG A 32 -0.860 -12.904 13.482 1.00 0.00 C ATOM 468 NE ARG A 32 -0.114 -13.352 14.655 1.00 0.00 N ATOM 469 CZ ARG A 32 -0.676 -13.600 15.833 1.00 0.00 C ATOM 470 NH1 ARG A 32 -1.982 -13.445 15.994 1.00 0.00 N ATOM 471 NH2 ARG A 32 0.070 -14.006 16.853 1.00 0.00 N ATOM 0 H ARG A 32 2.968 -14.454 10.666 1.00 0.00 H new ATOM 0 HA ARG A 32 0.803 -12.684 9.783 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.446 -14.243 11.681 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.790 -13.516 12.540 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.627 -11.474 12.884 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.559 -11.834 11.645 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.614 -12.178 13.787 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.391 -13.750 13.045 1.00 0.00 H new ATOM 0 HE ARG A 32 0.894 -13.482 14.565 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.559 -13.134 15.212 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.410 -13.636 16.900 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.076 -14.128 16.733 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.362 -14.196 17.757 1.00 0.00 H new ATOM 485 N PHE A 33 1.937 -10.511 10.053 1.00 0.00 N ATOM 486 CA PHE A 33 2.604 -9.218 10.152 1.00 0.00 C ATOM 487 C PHE A 33 1.629 -8.138 10.614 1.00 0.00 C ATOM 488 O PHE A 33 0.820 -7.641 9.832 1.00 0.00 O ATOM 489 CB PHE A 33 3.213 -8.829 8.804 1.00 0.00 C ATOM 490 CG PHE A 33 4.405 -9.659 8.423 1.00 0.00 C ATOM 491 CD1 PHE A 33 5.607 -9.519 9.097 1.00 0.00 C ATOM 492 CD2 PHE A 33 4.324 -10.578 7.389 1.00 0.00 C ATOM 493 CE1 PHE A 33 6.706 -10.282 8.749 1.00 0.00 C ATOM 494 CE2 PHE A 33 5.419 -11.344 7.037 1.00 0.00 C ATOM 495 CZ PHE A 33 6.612 -11.195 7.717 1.00 0.00 C ATOM 0 H PHE A 33 1.106 -10.513 9.462 1.00 0.00 H new ATOM 0 HA PHE A 33 3.401 -9.304 10.891 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.452 -8.924 8.030 1.00 0.00 H new ATOM 0 HB3 PHE A 33 3.506 -7.780 8.836 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.687 -8.805 9.904 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.394 -10.697 6.852 1.00 0.00 H new ATOM 0 HE1 PHE A 33 7.637 -10.164 9.284 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.342 -12.059 6.231 1.00 0.00 H new ATOM 0 HZ PHE A 33 7.470 -11.791 7.442 1.00 0.00 H new ATOM 505 N GLY A 34 1.714 -7.779 11.891 1.00 0.00 N ATOM 506 CA GLY A 34 0.835 -6.761 12.436 1.00 0.00 C ATOM 507 C GLY A 34 0.536 -5.659 11.439 1.00 0.00 C ATOM 508 O GLY A 34 1.421 -4.885 11.076 1.00 0.00 O ATOM 0 H GLY A 34 2.376 -8.175 12.558 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.100 -7.224 12.752 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.293 -6.328 13.325 1.00 0.00 H new ATOM 512 N ALA A 35 -0.715 -5.589 10.994 1.00 0.00 N ATOM 513 CA ALA A 35 -1.128 -4.574 10.033 1.00 0.00 C ATOM 514 C ALA A 35 -1.948 -3.480 10.708 1.00 0.00 C ATOM 515 O ALA A 35 -2.857 -3.765 11.489 1.00 0.00 O ATOM 516 CB ALA A 35 -1.922 -5.210 8.902 1.00 0.00 C ATOM 0 H ALA A 35 -1.459 -6.223 11.284 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.230 -4.115 9.618 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.224 -4.440 8.192 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.303 -5.950 8.394 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.809 -5.696 9.309 1.00 0.00 H new ATOM 522 N SER A 36 -1.622 -2.228 10.404 1.00 0.00 N ATOM 523 CA SER A 36 -2.326 -1.092 10.985 1.00 0.00 C ATOM 524 C SER A 36 -2.760 -0.109 9.902 1.00 0.00 C ATOM 525 O SER A 36 -1.966 0.278 9.044 1.00 0.00 O ATOM 526 CB SER A 36 -1.436 -0.381 12.007 1.00 0.00 C ATOM 527 OG SER A 36 -1.093 -1.248 13.074 1.00 0.00 O ATOM 0 H SER A 36 -0.874 -1.975 9.758 1.00 0.00 H new ATOM 0 HA SER A 36 -3.217 -1.468 11.488 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.529 -0.024 11.518 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.954 0.495 12.398 1.00 0.00 H new ATOM 0 HG SER A 36 -0.523 -0.771 13.713 1.00 0.00 H new ATOM 533 N LEU A 37 -4.026 0.290 9.947 1.00 0.00 N ATOM 534 CA LEU A 37 -4.568 1.228 8.970 1.00 0.00 C ATOM 535 C LEU A 37 -4.615 2.642 9.539 1.00 0.00 C ATOM 536 O LEU A 37 -5.460 2.957 10.377 1.00 0.00 O ATOM 537 CB LEU A 37 -5.970 0.793 8.539 1.00 0.00 C ATOM 538 CG LEU A 37 -6.450 1.319 7.186 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.650 0.693 6.055 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.936 1.047 7.005 1.00 0.00 C ATOM 0 H LEU A 37 -4.697 -0.021 10.650 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.910 1.228 8.101 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.999 -0.296 8.514 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.679 1.113 9.303 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.293 2.397 7.161 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.006 1.080 5.100 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.595 0.940 6.176 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.774 -0.390 6.077 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.260 1.428 6.037 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.118 -0.027 7.052 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.496 1.545 7.797 1.00 0.00 H new ATOM 552 N TYR A 38 -3.703 3.490 9.078 1.00 0.00 N ATOM 553 CA TYR A 38 -3.639 4.871 9.542 1.00 0.00 C ATOM 554 C TYR A 38 -4.204 5.824 8.493 1.00 0.00 C ATOM 555 O TYR A 38 -4.241 5.508 7.305 1.00 0.00 O ATOM 556 CB TYR A 38 -2.195 5.255 9.871 1.00 0.00 C ATOM 557 CG TYR A 38 -1.611 4.477 11.028 1.00 0.00 C ATOM 558 CD1 TYR A 38 -1.966 4.773 12.339 1.00 0.00 C ATOM 559 CD2 TYR A 38 -0.703 3.448 10.812 1.00 0.00 C ATOM 560 CE1 TYR A 38 -1.434 4.065 13.400 1.00 0.00 C ATOM 561 CE2 TYR A 38 -0.167 2.735 11.866 1.00 0.00 C ATOM 562 CZ TYR A 38 -0.535 3.047 13.158 1.00 0.00 C ATOM 563 OH TYR A 38 -0.003 2.339 14.211 1.00 0.00 O ATOM 0 H TYR A 38 -2.997 3.246 8.383 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.244 4.953 10.445 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.576 5.097 8.988 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.155 6.319 10.102 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.669 5.570 12.532 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.411 3.201 9.802 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.720 4.307 14.413 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.537 1.937 11.680 1.00 0.00 H new ATOM 0 HH TYR A 38 0.612 1.657 13.869 1.00 0.00 H new ATOM 573 N GLY A 39 -4.645 6.995 8.944 1.00 0.00 N ATOM 574 CA GLY A 39 -5.202 7.978 8.033 1.00 0.00 C ATOM 575 C GLY A 39 -6.621 8.367 8.397 1.00 0.00 C ATOM 576 O GLY A 39 -6.991 8.366 9.570 1.00 0.00 O ATOM 0 H GLY A 39 -4.626 7.280 9.923 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.573 8.868 8.035 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.187 7.579 7.019 1.00 0.00 H new ATOM 650 N ALA A 46 -1.856 8.421 5.401 1.00 0.00 N ATOM 651 CA ALA A 46 -2.339 7.128 4.933 1.00 0.00 C ATOM 652 C ALA A 46 -1.180 6.212 4.555 1.00 0.00 C ATOM 653 O ALA A 46 -0.536 6.405 3.523 1.00 0.00 O ATOM 654 CB ALA A 46 -3.277 7.312 3.749 1.00 0.00 C ATOM 0 HA ALA A 46 -2.888 6.657 5.748 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.630 6.338 3.410 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.129 7.922 4.051 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.745 7.808 2.937 1.00 0.00 H new ATOM 660 N ARG A 47 -0.920 5.217 5.395 1.00 0.00 N ATOM 661 CA ARG A 47 0.164 4.272 5.149 1.00 0.00 C ATOM 662 C ARG A 47 -0.069 2.968 5.907 1.00 0.00 C ATOM 663 O ARG A 47 -0.598 2.970 7.019 1.00 0.00 O ATOM 664 CB ARG A 47 1.504 4.883 5.562 1.00 0.00 C ATOM 665 CG ARG A 47 1.663 5.044 7.065 1.00 0.00 C ATOM 666 CD ARG A 47 3.109 5.316 7.447 1.00 0.00 C ATOM 667 NE ARG A 47 3.446 6.733 7.341 1.00 0.00 N ATOM 668 CZ ARG A 47 3.025 7.655 8.199 1.00 0.00 C ATOM 669 NH1 ARG A 47 2.255 7.310 9.222 1.00 0.00 N ATOM 670 NH2 ARG A 47 3.374 8.925 8.036 1.00 0.00 N ATOM 0 H ARG A 47 -1.445 5.043 6.252 1.00 0.00 H new ATOM 0 HA ARG A 47 0.186 4.052 4.082 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.311 4.255 5.185 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.611 5.858 5.087 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.034 5.863 7.413 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.317 4.141 7.567 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.284 4.977 8.468 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.769 4.737 6.801 1.00 0.00 H new ATOM 0 HE ARG A 47 4.037 7.031 6.565 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.985 6.335 9.351 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.933 8.020 9.880 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.967 9.194 7.251 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.050 9.632 8.696 1.00 0.00 H new ATOM 684 N LEU A 48 0.329 1.857 5.297 1.00 0.00 N ATOM 685 CA LEU A 48 0.164 0.545 5.913 1.00 0.00 C ATOM 686 C LEU A 48 1.470 0.070 6.542 1.00 0.00 C ATOM 687 O LEU A 48 2.453 -0.174 5.842 1.00 0.00 O ATOM 688 CB LEU A 48 -0.315 -0.471 4.875 1.00 0.00 C ATOM 689 CG LEU A 48 -1.186 -1.611 5.404 1.00 0.00 C ATOM 690 CD1 LEU A 48 -2.556 -1.091 5.812 1.00 0.00 C ATOM 691 CD2 LEU A 48 -1.320 -2.709 4.359 1.00 0.00 C ATOM 0 H LEU A 48 0.768 1.838 4.377 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.585 0.632 6.700 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.876 0.061 4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.559 -0.904 4.389 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.703 -2.033 6.285 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.162 -1.916 6.186 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.442 -0.341 6.595 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.047 -0.643 4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.943 -3.512 4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.780 -2.301 3.459 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.333 -3.102 4.115 1.00 0.00 H new ATOM 703 N GLU A 49 1.472 -0.060 7.865 1.00 0.00 N ATOM 704 CA GLU A 49 2.657 -0.507 8.586 1.00 0.00 C ATOM 705 C GLU A 49 2.622 -2.017 8.808 1.00 0.00 C ATOM 706 O GLU A 49 1.561 -2.640 8.746 1.00 0.00 O ATOM 707 CB GLU A 49 2.766 0.215 9.931 1.00 0.00 C ATOM 708 CG GLU A 49 3.493 1.546 9.849 1.00 0.00 C ATOM 709 CD GLU A 49 4.994 1.384 9.708 1.00 0.00 C ATOM 710 OE1 GLU A 49 5.430 0.333 9.195 1.00 0.00 O ATOM 711 OE2 GLU A 49 5.731 2.308 10.109 1.00 0.00 O ATOM 0 H GLU A 49 0.666 0.138 8.459 1.00 0.00 H new ATOM 0 HA GLU A 49 3.531 -0.266 7.981 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.764 0.381 10.327 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.286 -0.430 10.639 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.111 2.112 9.000 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.277 2.129 10.744 1.00 0.00 H new ATOM 718 N LEU A 50 3.788 -2.598 9.066 1.00 0.00 N ATOM 719 CA LEU A 50 3.892 -4.035 9.298 1.00 0.00 C ATOM 720 C LEU A 50 4.767 -4.329 10.511 1.00 0.00 C ATOM 721 O LEU A 50 5.641 -3.538 10.864 1.00 0.00 O ATOM 722 CB LEU A 50 4.464 -4.730 8.061 1.00 0.00 C ATOM 723 CG LEU A 50 3.535 -4.816 6.849 1.00 0.00 C ATOM 724 CD1 LEU A 50 4.236 -5.503 5.687 1.00 0.00 C ATOM 725 CD2 LEU A 50 2.253 -5.552 7.211 1.00 0.00 C ATOM 0 H LEU A 50 4.675 -2.097 9.120 1.00 0.00 H new ATOM 0 HA LEU A 50 2.891 -4.420 9.494 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.371 -4.206 7.761 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.758 -5.742 8.341 1.00 0.00 H new ATOM 0 HG LEU A 50 3.275 -3.803 6.542 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.560 -5.555 4.834 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.125 -4.936 5.411 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.526 -6.511 5.982 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.604 -5.604 6.337 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.495 -6.561 7.544 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.741 -5.019 8.012 1.00 0.00 H new ATOM 737 N GLN A 51 4.528 -5.473 11.144 1.00 0.00 N ATOM 738 CA GLN A 51 5.296 -5.872 12.317 1.00 0.00 C ATOM 739 C GLN A 51 5.570 -7.372 12.304 1.00 0.00 C ATOM 740 O GLN A 51 4.643 -8.182 12.317 1.00 0.00 O ATOM 741 CB GLN A 51 4.549 -5.489 13.596 1.00 0.00 C ATOM 742 CG GLN A 51 4.634 -4.008 13.930 1.00 0.00 C ATOM 743 CD GLN A 51 3.645 -3.594 15.002 1.00 0.00 C ATOM 744 OE1 GLN A 51 3.317 -4.375 15.896 1.00 0.00 O ATOM 745 NE2 GLN A 51 3.164 -2.359 14.918 1.00 0.00 N ATOM 0 H GLN A 51 3.809 -6.140 10.864 1.00 0.00 H new ATOM 0 HA GLN A 51 6.251 -5.347 12.291 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.501 -5.770 13.493 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.953 -6.065 14.429 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.645 -3.772 14.263 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.451 -3.425 13.027 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.463 -1.746 14.160 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.495 -2.024 15.611 1.00 0.00 H new ATOM 959 N LYS A 65 9.048 -2.446 7.436 1.00 0.00 N ATOM 960 CA LYS A 65 8.317 -2.616 6.186 1.00 0.00 C ATOM 961 C LYS A 65 7.040 -1.782 6.185 1.00 0.00 C ATOM 962 O LYS A 65 6.112 -2.048 6.949 1.00 0.00 O ATOM 963 CB LYS A 65 7.975 -4.092 5.968 1.00 0.00 C ATOM 964 CG LYS A 65 7.608 -4.426 4.533 1.00 0.00 C ATOM 965 CD LYS A 65 8.840 -4.736 3.700 1.00 0.00 C ATOM 966 CE LYS A 65 8.473 -5.432 2.398 1.00 0.00 C ATOM 967 NZ LYS A 65 8.041 -4.462 1.354 1.00 0.00 N ATOM 0 HA LYS A 65 8.955 -2.273 5.371 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.827 -4.702 6.267 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.144 -4.364 6.619 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.933 -5.282 4.519 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.069 -3.588 4.090 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.374 -3.812 3.481 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.518 -5.368 4.273 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.330 -5.999 2.035 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.672 -6.148 2.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.799 -4.975 0.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.207 -3.939 1.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.814 -3.794 1.160 1.00 0.00 H new ATOM 981 N VAL A 66 6.999 -0.772 5.321 1.00 0.00 N ATOM 982 CA VAL A 66 5.834 0.099 5.219 1.00 0.00 C ATOM 983 C VAL A 66 5.422 0.297 3.765 1.00 0.00 C ATOM 984 O VAL A 66 6.223 0.726 2.935 1.00 0.00 O ATOM 985 CB VAL A 66 6.105 1.475 5.856 1.00 0.00 C ATOM 986 CG1 VAL A 66 6.836 2.382 4.878 1.00 0.00 C ATOM 987 CG2 VAL A 66 4.804 2.114 6.317 1.00 0.00 C ATOM 0 H VAL A 66 7.759 -0.537 4.682 1.00 0.00 H new ATOM 0 HA VAL A 66 5.024 -0.391 5.760 1.00 0.00 H new ATOM 0 HB VAL A 66 6.743 1.332 6.728 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.019 3.349 5.346 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.787 1.927 4.601 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.227 2.520 3.985 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.014 3.085 6.765 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.140 2.244 5.463 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.324 1.471 7.055 1.00 0.00 H new ATOM 997 N ILE A 67 4.167 -0.019 3.463 1.00 0.00 N ATOM 998 CA ILE A 67 3.647 0.126 2.109 1.00 0.00 C ATOM 999 C ILE A 67 2.560 1.193 2.049 1.00 0.00 C ATOM 1000 O ILE A 67 1.390 0.917 2.314 1.00 0.00 O ATOM 1001 CB ILE A 67 3.077 -1.204 1.580 1.00 0.00 C ATOM 1002 CG1 ILE A 67 4.093 -2.331 1.769 1.00 0.00 C ATOM 1003 CG2 ILE A 67 2.693 -1.069 0.114 1.00 0.00 C ATOM 1004 CD1 ILE A 67 3.462 -3.700 1.892 1.00 0.00 C ATOM 0 H ILE A 67 3.491 -0.377 4.138 1.00 0.00 H new ATOM 0 HA ILE A 67 4.484 0.429 1.480 1.00 0.00 H new ATOM 0 HB ILE A 67 2.181 -1.450 2.149 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.783 -2.332 0.925 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.684 -2.131 2.663 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.292 -2.017 -0.246 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.938 -0.291 0.006 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.574 -0.803 -0.470 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.242 -4.450 2.024 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.794 -3.717 2.753 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.895 -3.922 0.988 1.00 0.00 H new ATOM 1016 N ARG A 68 2.954 2.412 1.696 1.00 0.00 N ATOM 1017 CA ARG A 68 2.012 3.521 1.599 1.00 0.00 C ATOM 1018 C ARG A 68 0.871 3.184 0.644 1.00 0.00 C ATOM 1019 O ARG A 68 1.097 2.673 -0.454 1.00 0.00 O ATOM 1020 CB ARG A 68 2.730 4.787 1.127 1.00 0.00 C ATOM 1021 CG ARG A 68 3.489 4.607 -0.177 1.00 0.00 C ATOM 1022 CD ARG A 68 4.643 5.591 -0.291 1.00 0.00 C ATOM 1023 NE ARG A 68 5.435 5.368 -1.497 1.00 0.00 N ATOM 1024 CZ ARG A 68 6.635 5.902 -1.697 1.00 0.00 C ATOM 1025 NH1 ARG A 68 7.178 6.684 -0.774 1.00 0.00 N ATOM 1026 NH2 ARG A 68 7.295 5.652 -2.820 1.00 0.00 N ATOM 0 H ARG A 68 3.919 2.657 1.472 1.00 0.00 H new ATOM 0 HA ARG A 68 1.593 3.697 2.590 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.998 5.585 1.004 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.426 5.110 1.901 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.871 3.588 -0.239 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.808 4.744 -1.017 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.252 6.609 -0.297 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.284 5.501 0.586 1.00 0.00 H new ATOM 0 HE ARG A 68 5.046 4.770 -2.226 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.674 6.877 0.092 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.099 7.093 -0.930 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.881 5.049 -3.531 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.216 6.063 -2.972 1.00 0.00 H new ATOM 1040 N LEU A 69 -0.354 3.473 1.069 1.00 0.00 N ATOM 1041 CA LEU A 69 -1.531 3.200 0.252 1.00 0.00 C ATOM 1042 C LEU A 69 -1.493 4.004 -1.044 1.00 0.00 C ATOM 1043 O LEU A 69 -2.176 3.672 -2.012 1.00 0.00 O ATOM 1044 CB LEU A 69 -2.805 3.529 1.032 1.00 0.00 C ATOM 1045 CG LEU A 69 -3.031 2.730 2.316 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.254 3.247 3.058 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -3.183 1.249 2.002 1.00 0.00 C ATOM 0 H LEU A 69 -0.558 3.896 1.974 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.530 2.139 0.000 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.788 4.589 1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.660 3.372 0.375 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.160 2.858 2.959 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.399 2.666 3.969 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.107 4.296 3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.134 3.150 2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.343 0.695 2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.036 1.103 1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.279 0.886 1.514 1.00 0.00 H new ATOM 1059 N SER A 70 -0.687 5.061 -1.055 1.00 0.00 N ATOM 1060 CA SER A 70 -0.560 5.914 -2.231 1.00 0.00 C ATOM 1061 C SER A 70 0.165 5.182 -3.357 1.00 0.00 C ATOM 1062 O SER A 70 -0.057 5.458 -4.536 1.00 0.00 O ATOM 1063 CB SER A 70 0.190 7.199 -1.877 1.00 0.00 C ATOM 1064 OG SER A 70 0.447 7.975 -3.035 1.00 0.00 O ATOM 0 H SER A 70 -0.112 5.347 -0.263 1.00 0.00 H new ATOM 0 HA SER A 70 -1.563 6.170 -2.574 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.397 7.782 -1.167 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.131 6.951 -1.385 1.00 0.00 H new ATOM 0 HG SER A 70 0.926 8.792 -2.782 1.00 0.00 H new ATOM 1070 N ASP A 71 1.032 4.247 -2.984 1.00 0.00 N ATOM 1071 CA ASP A 71 1.790 3.474 -3.960 1.00 0.00 C ATOM 1072 C ASP A 71 0.904 2.430 -4.632 1.00 0.00 C ATOM 1073 O ASP A 71 1.102 2.093 -5.800 1.00 0.00 O ATOM 1074 CB ASP A 71 2.983 2.793 -3.288 1.00 0.00 C ATOM 1075 CG ASP A 71 4.122 2.533 -4.255 1.00 0.00 C ATOM 1076 OD1 ASP A 71 4.328 3.363 -5.164 1.00 0.00 O ATOM 1077 OD2 ASP A 71 4.805 1.499 -4.103 1.00 0.00 O ATOM 0 H ASP A 71 1.227 4.006 -2.012 1.00 0.00 H new ATOM 0 HA ASP A 71 2.157 4.159 -4.724 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.341 3.418 -2.470 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.659 1.849 -2.850 1.00 0.00 H new ATOM 1082 N CYS A 72 -0.070 1.921 -3.887 1.00 0.00 N ATOM 1083 CA CYS A 72 -0.986 0.912 -4.410 1.00 0.00 C ATOM 1084 C CYS A 72 -1.620 1.379 -5.716 1.00 0.00 C ATOM 1085 O CYS A 72 -2.569 2.164 -5.712 1.00 0.00 O ATOM 1086 CB CYS A 72 -2.075 0.601 -3.383 1.00 0.00 C ATOM 1087 SG CYS A 72 -1.445 -0.009 -1.801 1.00 0.00 S ATOM 0 H CYS A 72 -0.247 2.190 -2.919 1.00 0.00 H new ATOM 0 HA CYS A 72 -0.414 0.005 -4.608 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.660 1.503 -3.205 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.754 -0.142 -3.802 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.097 -1.080 -1.458 1.00 0.00 H new ATOM 1093 N LEU A 73 -1.089 0.893 -6.832 1.00 0.00 N ATOM 1094 CA LEU A 73 -1.602 1.262 -8.147 1.00 0.00 C ATOM 1095 C LEU A 73 -3.012 0.719 -8.353 1.00 0.00 C ATOM 1096 O LEU A 73 -3.921 1.454 -8.739 1.00 0.00 O ATOM 1097 CB LEU A 73 -0.675 0.734 -9.244 1.00 0.00 C ATOM 1098 CG LEU A 73 0.775 1.217 -9.187 1.00 0.00 C ATOM 1099 CD1 LEU A 73 1.673 0.309 -10.013 1.00 0.00 C ATOM 1100 CD2 LEU A 73 0.878 2.656 -9.672 1.00 0.00 C ATOM 0 H LEU A 73 -0.304 0.243 -6.853 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.639 2.350 -8.203 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.676 -0.355 -9.200 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.093 1.014 -10.211 1.00 0.00 H new ATOM 0 HG LEU A 73 1.109 1.179 -8.150 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.701 0.668 -9.961 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.623 -0.707 -9.621 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.340 0.314 -11.051 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.917 2.983 -9.624 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.525 2.719 -10.701 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.266 3.298 -9.038 1.00 0.00 H new ATOM 1112 N ARG A 74 -3.187 -0.573 -8.092 1.00 0.00 N ATOM 1113 CA ARG A 74 -4.487 -1.214 -8.248 1.00 0.00 C ATOM 1114 C ARG A 74 -4.631 -2.392 -7.289 1.00 0.00 C ATOM 1115 O ARG A 74 -3.669 -3.113 -7.026 1.00 0.00 O ATOM 1116 CB ARG A 74 -4.675 -1.690 -9.690 1.00 0.00 C ATOM 1117 CG ARG A 74 -6.132 -1.839 -10.097 1.00 0.00 C ATOM 1118 CD ARG A 74 -6.710 -0.520 -10.586 1.00 0.00 C ATOM 1119 NE ARG A 74 -6.422 -0.286 -11.999 1.00 0.00 N ATOM 1120 CZ ARG A 74 -6.970 -0.985 -12.986 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -7.832 -1.956 -12.717 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -6.658 -0.712 -14.247 1.00 0.00 N ATOM 0 H ARG A 74 -2.445 -1.196 -7.772 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.257 -0.480 -8.012 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.189 -0.984 -10.363 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.172 -2.649 -9.816 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.217 -2.589 -10.884 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.713 -2.200 -9.249 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.789 -0.517 -10.431 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.301 0.297 -9.992 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.764 0.455 -12.241 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.076 -2.168 -11.750 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.251 -2.491 -13.478 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -5.997 0.035 -14.458 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.079 -1.250 -15.005 1.00 0.00 H new ATOM 1136 N VAL A 75 -5.840 -2.580 -6.768 1.00 0.00 N ATOM 1137 CA VAL A 75 -6.110 -3.670 -5.839 1.00 0.00 C ATOM 1138 C VAL A 75 -7.397 -4.401 -6.207 1.00 0.00 C ATOM 1139 O VAL A 75 -8.284 -3.833 -6.844 1.00 0.00 O ATOM 1140 CB VAL A 75 -6.220 -3.158 -4.390 1.00 0.00 C ATOM 1141 CG1 VAL A 75 -5.078 -2.205 -4.072 1.00 0.00 C ATOM 1142 CG2 VAL A 75 -7.566 -2.486 -4.164 1.00 0.00 C ATOM 0 H VAL A 75 -6.647 -1.991 -6.974 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.270 -4.361 -5.910 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.148 -4.011 -3.715 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.173 -1.854 -3.044 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.127 -2.724 -4.192 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.115 -1.353 -4.751 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.627 -2.130 -3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.671 -1.643 -4.847 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.366 -3.203 -4.348 1.00 0.00 H new ATOM 1152 N ALA A 76 -7.491 -5.663 -5.802 1.00 0.00 N ATOM 1153 CA ALA A 76 -8.670 -6.471 -6.087 1.00 0.00 C ATOM 1154 C ALA A 76 -8.932 -7.474 -4.969 1.00 0.00 C ATOM 1155 O ALA A 76 -8.138 -7.600 -4.038 1.00 0.00 O ATOM 1156 CB ALA A 76 -8.507 -7.191 -7.418 1.00 0.00 C ATOM 0 H ALA A 76 -6.765 -6.148 -5.275 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.530 -5.805 -6.150 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.395 -7.791 -7.618 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.377 -6.458 -8.214 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.632 -7.840 -7.376 1.00 0.00 H new ATOM 1162 N GLU A 77 -10.052 -8.184 -5.067 1.00 0.00 N ATOM 1163 CA GLU A 77 -10.418 -9.174 -4.062 1.00 0.00 C ATOM 1164 C GLU A 77 -10.403 -10.581 -4.653 1.00 0.00 C ATOM 1165 O GLU A 77 -11.141 -10.879 -5.592 1.00 0.00 O ATOM 1166 CB GLU A 77 -11.803 -8.865 -3.490 1.00 0.00 C ATOM 1167 CG GLU A 77 -12.070 -7.380 -3.312 1.00 0.00 C ATOM 1168 CD GLU A 77 -12.622 -6.732 -4.566 1.00 0.00 C ATOM 1169 OE1 GLU A 77 -13.739 -7.102 -4.983 1.00 0.00 O ATOM 1170 OE2 GLU A 77 -11.937 -5.853 -5.131 1.00 0.00 O ATOM 0 H GLU A 77 -10.721 -8.092 -5.832 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.682 -9.128 -3.259 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.562 -9.285 -4.150 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.908 -9.363 -2.526 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.775 -7.237 -2.493 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.144 -6.880 -3.026 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.556 -11.441 -4.097 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.445 -12.816 -4.568 1.00 0.00 C ATOM 1179 C ALA A 78 -10.165 -13.778 -3.628 1.00 0.00 C ATOM 1180 O ALA A 78 -10.519 -13.417 -2.507 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.981 -13.209 -4.708 1.00 0.00 C ATOM 0 H ALA A 78 -8.937 -11.210 -3.320 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.922 -12.879 -5.546 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.913 -14.238 -5.060 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.493 -12.547 -5.424 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.487 -13.123 -3.740 1.00 0.00 H new ATOM 1286 N ASP A 87 -12.205 -20.696 4.650 1.00 0.00 N ATOM 1287 CA ASP A 87 -12.922 -19.732 5.477 1.00 0.00 C ATOM 1288 C ASP A 87 -12.207 -18.385 5.485 1.00 0.00 C ATOM 1289 O ASP A 87 -12.329 -17.610 6.435 1.00 0.00 O ATOM 1290 CB ASP A 87 -13.062 -20.258 6.906 1.00 0.00 C ATOM 1291 CG ASP A 87 -13.897 -21.522 6.979 1.00 0.00 C ATOM 1292 OD1 ASP A 87 -15.140 -21.416 6.925 1.00 0.00 O ATOM 1293 OD2 ASP A 87 -13.306 -22.616 7.090 1.00 0.00 O ATOM 0 HA ASP A 87 -13.916 -19.593 5.051 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.072 -20.456 7.316 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -13.517 -19.489 7.530 1.00 0.00 H new ATOM 1298 N THR A 88 -11.460 -18.110 4.420 1.00 0.00 N ATOM 1299 CA THR A 88 -10.724 -16.858 4.305 1.00 0.00 C ATOM 1300 C THR A 88 -10.905 -16.238 2.925 1.00 0.00 C ATOM 1301 O THR A 88 -11.602 -16.790 2.072 1.00 0.00 O ATOM 1302 CB THR A 88 -9.221 -17.064 4.569 1.00 0.00 C ATOM 1303 OG1 THR A 88 -8.764 -18.246 3.904 1.00 0.00 O ATOM 1304 CG2 THR A 88 -8.944 -17.176 6.061 1.00 0.00 C ATOM 0 H THR A 88 -11.349 -18.739 3.624 1.00 0.00 H new ATOM 0 HA THR A 88 -11.129 -16.183 5.059 1.00 0.00 H new ATOM 0 HB THR A 88 -8.685 -16.199 4.180 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.807 -18.369 4.076 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.876 -17.321 6.223 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.266 -16.262 6.560 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.492 -18.025 6.470 1.00 0.00 H new ATOM 1312 N SER A 89 -10.274 -15.088 2.710 1.00 0.00 N ATOM 1313 CA SER A 89 -10.369 -14.391 1.432 1.00 0.00 C ATOM 1314 C SER A 89 -9.155 -13.494 1.211 1.00 0.00 C ATOM 1315 O SER A 89 -9.021 -12.446 1.841 1.00 0.00 O ATOM 1316 CB SER A 89 -11.650 -13.557 1.376 1.00 0.00 C ATOM 1317 OG SER A 89 -12.796 -14.368 1.572 1.00 0.00 O ATOM 0 H SER A 89 -9.692 -14.619 3.404 1.00 0.00 H new ATOM 0 HA SER A 89 -10.396 -15.139 0.639 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.616 -12.780 2.140 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.718 -13.053 0.412 1.00 0.00 H new ATOM 0 HG SER A 89 -13.601 -13.811 1.533 1.00 0.00 H new ATOM 1323 N ALA A 90 -8.272 -13.915 0.312 1.00 0.00 N ATOM 1324 CA ALA A 90 -7.069 -13.151 0.005 1.00 0.00 C ATOM 1325 C ALA A 90 -7.374 -12.015 -0.966 1.00 0.00 C ATOM 1326 O ALA A 90 -8.327 -12.086 -1.742 1.00 0.00 O ATOM 1327 CB ALA A 90 -5.995 -14.063 -0.568 1.00 0.00 C ATOM 0 H ALA A 90 -8.367 -14.782 -0.217 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.700 -12.713 0.933 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.103 -13.478 -0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.749 -14.837 0.159 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.363 -14.529 -1.482 1.00 0.00 H new ATOM 1333 N PHE A 91 -6.559 -10.966 -0.917 1.00 0.00 N ATOM 1334 CA PHE A 91 -6.742 -9.814 -1.791 1.00 0.00 C ATOM 1335 C PHE A 91 -5.466 -9.516 -2.573 1.00 0.00 C ATOM 1336 O PHE A 91 -4.383 -9.977 -2.214 1.00 0.00 O ATOM 1337 CB PHE A 91 -7.151 -8.587 -0.973 1.00 0.00 C ATOM 1338 CG PHE A 91 -6.139 -8.194 0.065 1.00 0.00 C ATOM 1339 CD1 PHE A 91 -6.002 -8.929 1.231 1.00 0.00 C ATOM 1340 CD2 PHE A 91 -5.324 -7.089 -0.126 1.00 0.00 C ATOM 1341 CE1 PHE A 91 -5.072 -8.569 2.188 1.00 0.00 C ATOM 1342 CE2 PHE A 91 -4.392 -6.725 0.827 1.00 0.00 C ATOM 1343 CZ PHE A 91 -4.265 -7.466 1.985 1.00 0.00 C ATOM 0 H PHE A 91 -5.765 -10.891 -0.281 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.535 -10.050 -2.501 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.312 -7.747 -1.649 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.103 -8.788 -0.483 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.629 -9.793 1.394 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.419 -6.506 -1.030 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.976 -9.149 3.094 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.763 -5.862 0.666 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.536 -7.184 2.731 1.00 0.00 H new ATOM 1353 N PHE A 92 -5.604 -8.742 -3.645 1.00 0.00 N ATOM 1354 CA PHE A 92 -4.463 -8.383 -4.479 1.00 0.00 C ATOM 1355 C PHE A 92 -3.906 -7.019 -4.082 1.00 0.00 C ATOM 1356 O PHE A 92 -4.609 -6.195 -3.495 1.00 0.00 O ATOM 1357 CB PHE A 92 -4.868 -8.370 -5.955 1.00 0.00 C ATOM 1358 CG PHE A 92 -4.860 -9.731 -6.590 1.00 0.00 C ATOM 1359 CD1 PHE A 92 -3.665 -10.347 -6.924 1.00 0.00 C ATOM 1360 CD2 PHE A 92 -6.048 -10.395 -6.854 1.00 0.00 C ATOM 1361 CE1 PHE A 92 -3.655 -11.599 -7.510 1.00 0.00 C ATOM 1362 CE2 PHE A 92 -6.044 -11.647 -7.439 1.00 0.00 C ATOM 1363 CZ PHE A 92 -4.845 -12.250 -7.766 1.00 0.00 C ATOM 0 H PHE A 92 -6.494 -8.352 -3.956 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.685 -9.131 -4.328 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.866 -7.941 -6.046 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.189 -7.717 -6.504 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.731 -9.843 -6.724 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.988 -9.928 -6.599 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.717 -12.068 -7.767 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.977 -12.153 -7.640 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.839 -13.229 -8.221 1.00 0.00 H new ATOM 1373 N LEU A 93 -2.638 -6.788 -4.405 1.00 0.00 N ATOM 1374 CA LEU A 93 -1.984 -5.525 -4.081 1.00 0.00 C ATOM 1375 C LEU A 93 -0.780 -5.287 -4.987 1.00 0.00 C ATOM 1376 O LEU A 93 0.252 -5.943 -4.848 1.00 0.00 O ATOM 1377 CB LEU A 93 -1.544 -5.516 -2.616 1.00 0.00 C ATOM 1378 CG LEU A 93 -1.496 -4.146 -1.938 1.00 0.00 C ATOM 1379 CD1 LEU A 93 -0.884 -4.259 -0.551 1.00 0.00 C ATOM 1380 CD2 LEU A 93 -0.713 -3.157 -2.790 1.00 0.00 C ATOM 0 H LEU A 93 -2.043 -7.459 -4.891 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.702 -4.721 -4.243 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.221 -6.156 -2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.553 -5.966 -2.552 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.516 -3.777 -1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.858 -3.275 -0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.485 -4.934 0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.131 -4.649 -0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.689 -2.187 -2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.306 -3.521 -2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.194 -3.054 -3.763 1.00 0.00 H new ATOM 1392 N GLU A 94 -0.920 -4.344 -5.913 1.00 0.00 N ATOM 1393 CA GLU A 94 0.158 -4.019 -6.840 1.00 0.00 C ATOM 1394 C GLU A 94 0.770 -2.661 -6.510 1.00 0.00 C ATOM 1395 O GLU A 94 0.056 -1.683 -6.283 1.00 0.00 O ATOM 1396 CB GLU A 94 -0.360 -4.020 -8.280 1.00 0.00 C ATOM 1397 CG GLU A 94 0.743 -4.051 -9.324 1.00 0.00 C ATOM 1398 CD GLU A 94 0.208 -3.962 -10.740 1.00 0.00 C ATOM 1399 OE1 GLU A 94 0.055 -2.830 -11.246 1.00 0.00 O ATOM 1400 OE2 GLU A 94 -0.057 -5.023 -11.343 1.00 0.00 O ATOM 0 H GLU A 94 -1.768 -3.792 -6.041 1.00 0.00 H new ATOM 0 HA GLU A 94 0.931 -4.781 -6.738 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.008 -4.884 -8.423 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.973 -3.132 -8.437 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.430 -3.223 -9.146 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.317 -4.971 -9.214 1.00 0.00 H new ATOM 1407 N THR A 95 2.098 -2.607 -6.483 1.00 0.00 N ATOM 1408 CA THR A 95 2.807 -1.371 -6.179 1.00 0.00 C ATOM 1409 C THR A 95 3.948 -1.135 -7.161 1.00 0.00 C ATOM 1410 O THR A 95 4.557 -2.082 -7.660 1.00 0.00 O ATOM 1411 CB THR A 95 3.373 -1.386 -4.746 1.00 0.00 C ATOM 1412 OG1 THR A 95 4.296 -2.470 -4.595 1.00 0.00 O ATOM 1413 CG2 THR A 95 2.254 -1.520 -3.724 1.00 0.00 C ATOM 0 H THR A 95 2.704 -3.406 -6.668 1.00 0.00 H new ATOM 0 HA THR A 95 2.082 -0.562 -6.268 1.00 0.00 H new ATOM 0 HB THR A 95 3.891 -0.442 -4.573 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.114 -3.152 -5.275 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.678 -1.528 -2.720 1.00 0.00 H new ATOM 0 HG22 THR A 95 1.569 -0.678 -3.822 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.713 -2.450 -3.897 1.00 0.00 H new ATOM 1421 N LYS A 96 4.235 0.133 -7.435 1.00 0.00 N ATOM 1422 CA LYS A 96 5.306 0.494 -8.357 1.00 0.00 C ATOM 1423 C LYS A 96 6.488 -0.460 -8.218 1.00 0.00 C ATOM 1424 O LYS A 96 7.208 -0.713 -9.183 1.00 0.00 O ATOM 1425 CB LYS A 96 5.764 1.931 -8.100 1.00 0.00 C ATOM 1426 CG LYS A 96 4.811 2.980 -8.645 1.00 0.00 C ATOM 1427 CD LYS A 96 5.545 4.251 -9.038 1.00 0.00 C ATOM 1428 CE LYS A 96 6.194 4.120 -10.407 1.00 0.00 C ATOM 1429 NZ LYS A 96 6.862 5.382 -10.828 1.00 0.00 N ATOM 0 H LYS A 96 3.741 0.929 -7.031 1.00 0.00 H new ATOM 0 HA LYS A 96 4.918 0.418 -9.373 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.880 2.080 -7.026 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.746 2.076 -8.549 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.285 2.580 -9.512 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.056 3.212 -7.894 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.847 5.088 -9.044 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.308 4.477 -8.293 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.925 3.312 -10.386 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.438 3.847 -11.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.292 5.251 -11.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.160 6.148 -10.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.601 5.630 -10.140 1.00 0.00 H new ATOM 1443 N GLU A 97 6.679 -0.988 -7.013 1.00 0.00 N ATOM 1444 CA GLU A 97 7.774 -1.915 -6.751 1.00 0.00 C ATOM 1445 C GLU A 97 7.495 -3.277 -7.379 1.00 0.00 C ATOM 1446 O GLU A 97 8.166 -3.684 -8.328 1.00 0.00 O ATOM 1447 CB GLU A 97 7.990 -2.070 -5.244 1.00 0.00 C ATOM 1448 CG GLU A 97 9.418 -2.426 -4.867 1.00 0.00 C ATOM 1449 CD GLU A 97 9.779 -3.853 -5.229 1.00 0.00 C ATOM 1450 OE1 GLU A 97 9.427 -4.769 -4.456 1.00 0.00 O ATOM 1451 OE2 GLU A 97 10.412 -4.055 -6.286 1.00 0.00 O ATOM 0 H GLU A 97 6.091 -0.790 -6.204 1.00 0.00 H new ATOM 0 HA GLU A 97 8.679 -1.506 -7.200 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.714 -1.139 -4.748 1.00 0.00 H new ATOM 0 HB3 GLU A 97 7.320 -2.843 -4.867 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.103 -1.743 -5.370 1.00 0.00 H new ATOM 0 HG3 GLU A 97 9.553 -2.282 -3.795 1.00 0.00 H new ATOM 1458 N ARG A 98 6.502 -3.978 -6.842 1.00 0.00 N ATOM 1459 CA ARG A 98 6.135 -5.295 -7.348 1.00 0.00 C ATOM 1460 C ARG A 98 4.710 -5.657 -6.939 1.00 0.00 C ATOM 1461 O ARG A 98 4.030 -4.882 -6.265 1.00 0.00 O ATOM 1462 CB ARG A 98 7.110 -6.354 -6.828 1.00 0.00 C ATOM 1463 CG ARG A 98 7.045 -6.556 -5.323 1.00 0.00 C ATOM 1464 CD ARG A 98 7.867 -7.758 -4.887 1.00 0.00 C ATOM 1465 NE ARG A 98 9.279 -7.609 -5.230 1.00 0.00 N ATOM 1466 CZ ARG A 98 10.251 -8.319 -4.667 1.00 0.00 C ATOM 1467 NH1 ARG A 98 9.965 -9.222 -3.740 1.00 0.00 N ATOM 1468 NH2 ARG A 98 11.512 -8.126 -5.033 1.00 0.00 N ATOM 0 H ARG A 98 5.937 -3.656 -6.056 1.00 0.00 H new ATOM 0 HA ARG A 98 6.186 -5.266 -8.436 1.00 0.00 H new ATOM 0 HB2 ARG A 98 6.900 -7.302 -7.323 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.125 -6.068 -7.104 1.00 0.00 H new ATOM 0 HG2 ARG A 98 7.410 -5.662 -4.819 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.008 -6.693 -5.018 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.768 -7.893 -3.810 1.00 0.00 H new ATOM 0 HD3 ARG A 98 7.472 -8.658 -5.359 1.00 0.00 H new ATOM 0 HE ARG A 98 9.533 -6.923 -5.940 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.997 -9.373 -3.457 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.713 -9.766 -3.310 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.735 -7.432 -5.747 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.258 -8.671 -4.601 1.00 0.00 H new ATOM 1482 N LEU A 99 4.263 -6.838 -7.353 1.00 0.00 N ATOM 1483 CA LEU A 99 2.919 -7.303 -7.031 1.00 0.00 C ATOM 1484 C LEU A 99 2.927 -8.165 -5.773 1.00 0.00 C ATOM 1485 O LEU A 99 3.508 -9.251 -5.757 1.00 0.00 O ATOM 1486 CB LEU A 99 2.338 -8.096 -8.204 1.00 0.00 C ATOM 1487 CG LEU A 99 0.890 -8.562 -8.046 1.00 0.00 C ATOM 1488 CD1 LEU A 99 -0.063 -7.380 -8.122 1.00 0.00 C ATOM 1489 CD2 LEU A 99 0.545 -9.597 -9.107 1.00 0.00 C ATOM 0 H LEU A 99 4.812 -7.491 -7.912 1.00 0.00 H new ATOM 0 HA LEU A 99 2.294 -6.430 -6.846 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.405 -7.481 -9.101 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.965 -8.972 -8.370 1.00 0.00 H new ATOM 0 HG LEU A 99 0.782 -9.026 -7.065 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.088 -7.731 -8.008 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.169 -6.673 -7.325 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.046 -6.886 -9.088 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.489 -9.918 -8.980 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.670 -9.159 -10.097 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.207 -10.457 -9.005 1.00 0.00 H new ATOM 1501 N TYR A 100 2.278 -7.676 -4.723 1.00 0.00 N ATOM 1502 CA TYR A 100 2.211 -8.403 -3.460 1.00 0.00 C ATOM 1503 C TYR A 100 0.869 -9.113 -3.310 1.00 0.00 C ATOM 1504 O TYR A 100 -0.172 -8.587 -3.705 1.00 0.00 O ATOM 1505 CB TYR A 100 2.429 -7.447 -2.286 1.00 0.00 C ATOM 1506 CG TYR A 100 3.809 -6.830 -2.255 1.00 0.00 C ATOM 1507 CD1 TYR A 100 4.889 -7.520 -1.719 1.00 0.00 C ATOM 1508 CD2 TYR A 100 4.033 -5.556 -2.763 1.00 0.00 C ATOM 1509 CE1 TYR A 100 6.151 -6.960 -1.688 1.00 0.00 C ATOM 1510 CE2 TYR A 100 5.292 -4.988 -2.738 1.00 0.00 C ATOM 1511 CZ TYR A 100 6.348 -5.694 -2.199 1.00 0.00 C ATOM 1512 OH TYR A 100 7.604 -5.133 -2.171 1.00 0.00 O ATOM 0 H TYR A 100 1.791 -6.780 -4.721 1.00 0.00 H new ATOM 0 HA TYR A 100 3.000 -9.155 -3.460 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.686 -6.651 -2.334 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.260 -7.986 -1.354 1.00 0.00 H new ATOM 0 HD1 TYR A 100 4.739 -8.512 -1.319 1.00 0.00 H new ATOM 0 HD2 TYR A 100 3.208 -5.000 -3.185 1.00 0.00 H new ATOM 0 HE1 TYR A 100 6.979 -7.510 -1.266 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.449 -3.997 -3.138 1.00 0.00 H new ATOM 0 HH TYR A 100 7.760 -4.637 -3.002 1.00 0.00 H new ATOM 1522 N LEU A 101 0.902 -10.310 -2.737 1.00 0.00 N ATOM 1523 CA LEU A 101 -0.311 -11.095 -2.533 1.00 0.00 C ATOM 1524 C LEU A 101 -0.461 -11.495 -1.069 1.00 0.00 C ATOM 1525 O LEU A 101 0.167 -12.449 -0.608 1.00 0.00 O ATOM 1526 CB LEU A 101 -0.288 -12.344 -3.416 1.00 0.00 C ATOM 1527 CG LEU A 101 -1.498 -13.272 -3.296 1.00 0.00 C ATOM 1528 CD1 LEU A 101 -2.757 -12.573 -3.783 1.00 0.00 C ATOM 1529 CD2 LEU A 101 -1.263 -14.557 -4.076 1.00 0.00 C ATOM 0 H LEU A 101 1.755 -10.759 -2.405 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.165 -10.477 -2.810 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.199 -12.028 -4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.609 -12.916 -3.179 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.633 -13.528 -2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.607 -13.249 -3.690 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.934 -11.682 -3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.633 -12.287 -4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.134 -15.206 -3.980 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.102 -14.320 -5.128 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.385 -15.067 -3.680 1.00 0.00 H new ATOM 1541 N LEU A 102 -1.298 -10.763 -0.343 1.00 0.00 N ATOM 1542 CA LEU A 102 -1.533 -11.043 1.069 1.00 0.00 C ATOM 1543 C LEU A 102 -2.870 -11.748 1.269 1.00 0.00 C ATOM 1544 O LEU A 102 -3.695 -11.807 0.357 1.00 0.00 O ATOM 1545 CB LEU A 102 -1.502 -9.745 1.878 1.00 0.00 C ATOM 1546 CG LEU A 102 -0.139 -9.061 1.998 1.00 0.00 C ATOM 1547 CD1 LEU A 102 0.109 -8.153 0.804 1.00 0.00 C ATOM 1548 CD2 LEU A 102 -0.050 -8.273 3.297 1.00 0.00 C ATOM 0 H LEU A 102 -1.826 -9.971 -0.709 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.739 -11.702 1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.201 -9.041 1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.869 -9.957 2.882 1.00 0.00 H new ATOM 0 HG LEU A 102 0.633 -9.831 2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.083 -7.675 0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.089 -8.743 -0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.667 -7.389 0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.926 -7.793 3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.830 -7.512 3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.182 -8.949 4.142 1.00 0.00 H new ATOM 1560 N ALA A 103 -3.079 -12.280 2.469 1.00 0.00 N ATOM 1561 CA ALA A 103 -4.318 -12.977 2.790 1.00 0.00 C ATOM 1562 C ALA A 103 -5.081 -12.260 3.899 1.00 0.00 C ATOM 1563 O ALA A 103 -4.483 -11.603 4.751 1.00 0.00 O ATOM 1564 CB ALA A 103 -4.025 -14.415 3.193 1.00 0.00 C ATOM 0 H ALA A 103 -2.406 -12.241 3.235 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.945 -12.981 1.898 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.959 -14.924 3.430 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.530 -14.930 2.370 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.376 -14.422 4.068 1.00 0.00 H new ATOM 1570 N ALA A 104 -6.403 -12.389 3.880 1.00 0.00 N ATOM 1571 CA ALA A 104 -7.247 -11.754 4.885 1.00 0.00 C ATOM 1572 C ALA A 104 -8.517 -12.562 5.126 1.00 0.00 C ATOM 1573 O ALA A 104 -9.031 -13.237 4.233 1.00 0.00 O ATOM 1574 CB ALA A 104 -7.594 -10.334 4.461 1.00 0.00 C ATOM 0 H ALA A 104 -6.913 -12.927 3.180 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.690 -11.716 5.821 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.225 -9.871 5.220 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.678 -9.754 4.347 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -8.128 -10.358 3.511 1.00 0.00 H new ATOM 1580 N PRO A 105 -9.038 -12.494 6.360 1.00 0.00 N ATOM 1581 CA PRO A 105 -10.255 -13.214 6.747 1.00 0.00 C ATOM 1582 C PRO A 105 -11.503 -12.641 6.083 1.00 0.00 C ATOM 1583 O PRO A 105 -11.801 -11.455 6.220 1.00 0.00 O ATOM 1584 CB PRO A 105 -10.317 -13.016 8.263 1.00 0.00 C ATOM 1585 CG PRO A 105 -9.565 -11.755 8.512 1.00 0.00 C ATOM 1586 CD PRO A 105 -8.479 -11.709 7.473 1.00 0.00 C ATOM 0 HA PRO A 105 -10.225 -14.260 6.441 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -11.347 -12.937 8.610 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -9.866 -13.856 8.791 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -10.220 -10.887 8.431 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -9.144 -11.744 9.517 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -8.255 -10.686 7.171 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.550 -12.142 7.843 1.00 0.00 H new ATOM 1594 N ALA A 106 -12.228 -13.492 5.364 1.00 0.00 N ATOM 1595 CA ALA A 106 -13.445 -13.070 4.681 1.00 0.00 C ATOM 1596 C ALA A 106 -14.227 -12.067 5.522 1.00 0.00 C ATOM 1597 O ALA A 106 -14.958 -11.232 4.989 1.00 0.00 O ATOM 1598 CB ALA A 106 -14.312 -14.277 4.355 1.00 0.00 C ATOM 0 H ALA A 106 -11.994 -14.477 5.240 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.159 -12.579 3.751 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -15.217 -13.948 3.845 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.759 -14.958 3.708 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -14.582 -14.791 5.278 1.00 0.00 H new ATOM 1604 N ALA A 107 -14.068 -12.154 6.839 1.00 0.00 N ATOM 1605 CA ALA A 107 -14.759 -11.253 7.753 1.00 0.00 C ATOM 1606 C ALA A 107 -14.229 -9.829 7.624 1.00 0.00 C ATOM 1607 O ALA A 107 -15.002 -8.874 7.558 1.00 0.00 O ATOM 1608 CB ALA A 107 -14.615 -11.744 9.186 1.00 0.00 C ATOM 0 H ALA A 107 -13.467 -12.839 7.296 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.816 -11.245 7.487 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -15.136 -11.062 9.858 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -15.047 -12.741 9.274 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.559 -11.781 9.453 1.00 0.00 H new ATOM 1614 N GLU A 108 -12.907 -9.695 7.589 1.00 0.00 N ATOM 1615 CA GLU A 108 -12.275 -8.386 7.469 1.00 0.00 C ATOM 1616 C GLU A 108 -12.131 -7.983 6.005 1.00 0.00 C ATOM 1617 O GLU A 108 -12.409 -6.843 5.633 1.00 0.00 O ATOM 1618 CB GLU A 108 -10.902 -8.394 8.145 1.00 0.00 C ATOM 1619 CG GLU A 108 -10.934 -8.885 9.583 1.00 0.00 C ATOM 1620 CD GLU A 108 -11.327 -7.796 10.562 1.00 0.00 C ATOM 1621 OE1 GLU A 108 -12.539 -7.630 10.812 1.00 0.00 O ATOM 1622 OE2 GLU A 108 -10.420 -7.109 11.079 1.00 0.00 O ATOM 0 H GLU A 108 -12.253 -10.476 7.642 1.00 0.00 H new ATOM 0 HA GLU A 108 -12.913 -7.656 7.967 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.227 -9.026 7.569 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -10.490 -7.385 8.124 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.638 -9.713 9.665 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -9.952 -9.274 9.852 1.00 0.00 H new ATOM 1629 N ARG A 109 -11.694 -8.927 5.178 1.00 0.00 N ATOM 1630 CA ARG A 109 -11.510 -8.671 3.754 1.00 0.00 C ATOM 1631 C ARG A 109 -12.566 -7.699 3.237 1.00 0.00 C ATOM 1632 O ARG A 109 -12.240 -6.652 2.679 1.00 0.00 O ATOM 1633 CB ARG A 109 -11.578 -9.981 2.966 1.00 0.00 C ATOM 1634 CG ARG A 109 -10.988 -9.881 1.569 1.00 0.00 C ATOM 1635 CD ARG A 109 -11.957 -9.221 0.601 1.00 0.00 C ATOM 1636 NE ARG A 109 -13.220 -9.947 0.509 1.00 0.00 N ATOM 1637 CZ ARG A 109 -14.294 -9.479 -0.116 1.00 0.00 C ATOM 1638 NH1 ARG A 109 -14.258 -8.290 -0.703 1.00 0.00 N ATOM 1639 NH2 ARG A 109 -15.407 -10.200 -0.157 1.00 0.00 N ATOM 0 H ARG A 109 -11.461 -9.876 5.469 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.527 -8.222 3.614 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.049 -10.757 3.520 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.619 -10.296 2.890 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -10.061 -9.309 1.604 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.734 -10.878 1.208 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -12.150 -8.198 0.923 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -11.500 -9.163 -0.387 1.00 0.00 H new ATOM 0 HE ARG A 109 -13.281 -10.865 0.949 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -13.404 -7.733 -0.675 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -15.084 -7.933 -1.182 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -15.439 -11.115 0.292 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -16.231 -9.839 -0.638 1.00 0.00 H new ATOM 1653 N GLY A 110 -13.834 -8.053 3.425 1.00 0.00 N ATOM 1654 CA GLY A 110 -14.918 -7.202 2.971 1.00 0.00 C ATOM 1655 C GLY A 110 -14.642 -5.732 3.216 1.00 0.00 C ATOM 1656 O GLY A 110 -14.821 -4.902 2.324 1.00 0.00 O ATOM 0 H GLY A 110 -14.130 -8.915 3.884 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -15.082 -7.365 1.906 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -15.838 -7.486 3.483 1.00 0.00 H new ATOM 1660 N ASP A 111 -14.205 -5.407 4.428 1.00 0.00 N ATOM 1661 CA ASP A 111 -13.905 -4.027 4.789 1.00 0.00 C ATOM 1662 C ASP A 111 -12.519 -3.625 4.293 1.00 0.00 C ATOM 1663 O ASP A 111 -12.374 -2.666 3.536 1.00 0.00 O ATOM 1664 CB ASP A 111 -13.991 -3.842 6.305 1.00 0.00 C ATOM 1665 CG ASP A 111 -13.592 -5.093 7.063 1.00 0.00 C ATOM 1666 OD1 ASP A 111 -14.455 -5.976 7.246 1.00 0.00 O ATOM 1667 OD2 ASP A 111 -12.416 -5.187 7.476 1.00 0.00 O ATOM 0 H ASP A 111 -14.051 -6.082 5.177 1.00 0.00 H new ATOM 0 HA ASP A 111 -14.644 -3.384 4.311 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -13.345 -3.017 6.605 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -15.009 -3.565 6.577 1.00 0.00 H new ATOM 1672 N TRP A 112 -11.505 -4.365 4.726 1.00 0.00 N ATOM 1673 CA TRP A 112 -10.130 -4.085 4.327 1.00 0.00 C ATOM 1674 C TRP A 112 -10.074 -3.560 2.897 1.00 0.00 C ATOM 1675 O TRP A 112 -9.667 -2.424 2.657 1.00 0.00 O ATOM 1676 CB TRP A 112 -9.273 -5.346 4.455 1.00 0.00 C ATOM 1677 CG TRP A 112 -8.703 -5.540 5.828 1.00 0.00 C ATOM 1678 CD1 TRP A 112 -8.856 -6.634 6.631 1.00 0.00 C ATOM 1679 CD2 TRP A 112 -7.891 -4.614 6.557 1.00 0.00 C ATOM 1680 NE1 TRP A 112 -8.188 -6.443 7.817 1.00 0.00 N ATOM 1681 CE2 TRP A 112 -7.587 -5.212 7.796 1.00 0.00 C ATOM 1682 CE3 TRP A 112 -7.389 -3.339 6.284 1.00 0.00 C ATOM 1683 CZ2 TRP A 112 -6.806 -4.577 8.757 1.00 0.00 C ATOM 1684 CZ3 TRP A 112 -6.614 -2.709 7.240 1.00 0.00 C ATOM 1685 CH2 TRP A 112 -6.328 -3.329 8.463 1.00 0.00 C ATOM 0 H TRP A 112 -11.608 -5.163 5.353 1.00 0.00 H new ATOM 0 HA TRP A 112 -9.735 -3.317 4.991 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -9.877 -6.215 4.194 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.457 -5.297 3.734 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -9.419 -7.519 6.372 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -8.146 -7.110 8.588 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.603 -2.854 5.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -6.585 -5.052 9.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -6.223 -1.722 7.040 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -5.718 -2.812 9.189 1.00 0.00 H new ATOM 1696 N VAL A 113 -10.487 -4.395 1.948 1.00 0.00 N ATOM 1697 CA VAL A 113 -10.485 -4.015 0.541 1.00 0.00 C ATOM 1698 C VAL A 113 -11.224 -2.699 0.327 1.00 0.00 C ATOM 1699 O VAL A 113 -10.806 -1.865 -0.476 1.00 0.00 O ATOM 1700 CB VAL A 113 -11.132 -5.103 -0.336 1.00 0.00 C ATOM 1701 CG1 VAL A 113 -11.138 -4.679 -1.797 1.00 0.00 C ATOM 1702 CG2 VAL A 113 -10.406 -6.429 -0.161 1.00 0.00 C ATOM 0 H VAL A 113 -10.827 -5.339 2.129 1.00 0.00 H new ATOM 0 HA VAL A 113 -9.442 -3.895 0.247 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.166 -5.235 -0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.599 -5.461 -2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.705 -3.755 -1.905 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.114 -4.517 -2.133 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.876 -7.187 -0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -9.362 -6.314 -0.453 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.459 -6.738 0.883 1.00 0.00 H new ATOM 1712 N GLN A 114 -12.325 -2.521 1.050 1.00 0.00 N ATOM 1713 CA GLN A 114 -13.123 -1.305 0.938 1.00 0.00 C ATOM 1714 C GLN A 114 -12.349 -0.096 1.451 1.00 0.00 C ATOM 1715 O GLN A 114 -12.060 0.833 0.698 1.00 0.00 O ATOM 1716 CB GLN A 114 -14.431 -1.456 1.717 1.00 0.00 C ATOM 1717 CG GLN A 114 -15.352 -0.252 1.599 1.00 0.00 C ATOM 1718 CD GLN A 114 -16.732 -0.514 2.169 1.00 0.00 C ATOM 1719 OE1 GLN A 114 -17.464 -1.376 1.681 1.00 0.00 O ATOM 1720 NE2 GLN A 114 -17.095 0.229 3.207 1.00 0.00 N ATOM 0 H GLN A 114 -12.685 -3.202 1.719 1.00 0.00 H new ATOM 0 HA GLN A 114 -13.351 -1.146 -0.116 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.957 -2.342 1.360 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -14.200 -1.625 2.769 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -14.904 0.595 2.118 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -15.444 0.029 0.550 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -16.456 0.932 3.579 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -18.013 0.097 3.633 1.00 0.00 H new ATOM 1729 N ALA A 115 -12.015 -0.115 2.738 1.00 0.00 N ATOM 1730 CA ALA A 115 -11.272 0.979 3.351 1.00 0.00 C ATOM 1731 C ALA A 115 -9.975 1.251 2.598 1.00 0.00 C ATOM 1732 O ALA A 115 -9.728 2.372 2.153 1.00 0.00 O ATOM 1733 CB ALA A 115 -10.982 0.666 4.811 1.00 0.00 C ATOM 0 H ALA A 115 -12.248 -0.876 3.376 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.887 1.878 3.299 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -10.427 1.491 5.257 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -11.921 0.529 5.347 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.390 -0.247 4.877 1.00 0.00 H new ATOM 1739 N ILE A 116 -9.148 0.219 2.460 1.00 0.00 N ATOM 1740 CA ILE A 116 -7.876 0.348 1.761 1.00 0.00 C ATOM 1741 C ILE A 116 -8.062 1.011 0.400 1.00 0.00 C ATOM 1742 O ILE A 116 -7.175 1.715 -0.085 1.00 0.00 O ATOM 1743 CB ILE A 116 -7.200 -1.021 1.564 1.00 0.00 C ATOM 1744 CG1 ILE A 116 -6.856 -1.644 2.919 1.00 0.00 C ATOM 1745 CG2 ILE A 116 -5.951 -0.878 0.708 1.00 0.00 C ATOM 1746 CD1 ILE A 116 -6.457 -3.100 2.831 1.00 0.00 C ATOM 0 H ILE A 116 -9.337 -0.715 2.823 1.00 0.00 H new ATOM 0 HA ILE A 116 -7.236 0.973 2.383 1.00 0.00 H new ATOM 0 HB ILE A 116 -7.896 -1.682 1.047 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.042 -1.079 3.373 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -7.717 -1.551 3.581 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -5.485 -1.855 0.578 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -6.222 -0.473 -0.267 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -5.249 -0.203 1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.227 -3.475 3.828 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.278 -3.677 2.406 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -5.577 -3.198 2.195 1.00 0.00 H new ATOM 1758 N CYS A 117 -9.219 0.783 -0.210 1.00 0.00 N ATOM 1759 CA CYS A 117 -9.523 1.359 -1.515 1.00 0.00 C ATOM 1760 C CYS A 117 -9.832 2.848 -1.394 1.00 0.00 C ATOM 1761 O CYS A 117 -9.437 3.646 -2.245 1.00 0.00 O ATOM 1762 CB CYS A 117 -10.705 0.630 -2.155 1.00 0.00 C ATOM 1763 SG CYS A 117 -11.209 1.305 -3.755 1.00 0.00 S ATOM 0 H CYS A 117 -9.963 0.203 0.178 1.00 0.00 H new ATOM 0 HA CYS A 117 -8.645 1.240 -2.150 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -10.445 -0.421 -2.282 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -11.554 0.668 -1.473 1.00 0.00 H new ATOM 0 HG CYS A 117 -10.173 1.803 -4.362 1.00 0.00 H new ATOM 1769 N LEU A 118 -10.542 3.214 -0.333 1.00 0.00 N ATOM 1770 CA LEU A 118 -10.907 4.608 -0.101 1.00 0.00 C ATOM 1771 C LEU A 118 -9.663 5.484 0.017 1.00 0.00 C ATOM 1772 O LEU A 118 -9.562 6.526 -0.631 1.00 0.00 O ATOM 1773 CB LEU A 118 -11.752 4.729 1.168 1.00 0.00 C ATOM 1774 CG LEU A 118 -13.265 4.607 0.982 1.00 0.00 C ATOM 1775 CD1 LEU A 118 -13.624 3.243 0.414 1.00 0.00 C ATOM 1776 CD2 LEU A 118 -13.986 4.845 2.300 1.00 0.00 C ATOM 0 H LEU A 118 -10.877 2.566 0.380 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.492 4.952 -0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.429 3.960 1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -11.540 5.693 1.631 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.587 5.369 0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -14.705 3.174 0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.137 3.112 -0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.288 2.464 1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -15.062 4.754 2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -13.659 4.106 3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.755 5.845 2.666 1.00 0.00 H new ATOM 1788 N LEU A 119 -8.719 5.053 0.846 1.00 0.00 N ATOM 1789 CA LEU A 119 -7.480 5.797 1.047 1.00 0.00 C ATOM 1790 C LEU A 119 -6.534 5.608 -0.134 1.00 0.00 C ATOM 1791 O LEU A 119 -6.112 6.577 -0.764 1.00 0.00 O ATOM 1792 CB LEU A 119 -6.797 5.347 2.340 1.00 0.00 C ATOM 1793 CG LEU A 119 -7.303 5.997 3.628 1.00 0.00 C ATOM 1794 CD1 LEU A 119 -6.680 5.328 4.844 1.00 0.00 C ATOM 1795 CD2 LEU A 119 -7.005 7.489 3.626 1.00 0.00 C ATOM 0 H LEU A 119 -8.787 4.193 1.390 1.00 0.00 H new ATOM 0 HA LEU A 119 -7.728 6.856 1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -6.913 4.267 2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -5.729 5.546 2.251 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.384 5.863 3.679 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.052 5.804 5.751 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.946 4.271 4.854 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -5.596 5.429 4.799 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.372 7.935 4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -5.929 7.645 3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.500 7.958 2.776 1.00 0.00 H new ATOM 1807 N ALA A 120 -6.207 4.354 -0.430 1.00 0.00 N ATOM 1808 CA ALA A 120 -5.315 4.039 -1.538 1.00 0.00 C ATOM 1809 C ALA A 120 -5.719 4.793 -2.800 1.00 0.00 C ATOM 1810 O ALA A 120 -4.869 5.321 -3.518 1.00 0.00 O ATOM 1811 CB ALA A 120 -5.305 2.539 -1.797 1.00 0.00 C ATOM 0 H ALA A 120 -6.547 3.540 0.083 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.309 4.356 -1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.634 2.318 -2.627 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.961 2.018 -0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.313 2.206 -2.046 1.00 0.00 H new ATOM 1817 N PHE A 121 -7.020 4.839 -3.066 1.00 0.00 N ATOM 1818 CA PHE A 121 -7.536 5.527 -4.243 1.00 0.00 C ATOM 1819 C PHE A 121 -8.205 6.842 -3.854 1.00 0.00 C ATOM 1820 O PHE A 121 -9.231 7.221 -4.420 1.00 0.00 O ATOM 1821 CB PHE A 121 -8.533 4.635 -4.986 1.00 0.00 C ATOM 1822 CG PHE A 121 -7.956 3.313 -5.406 1.00 0.00 C ATOM 1823 CD1 PHE A 121 -7.655 2.343 -4.464 1.00 0.00 C ATOM 1824 CD2 PHE A 121 -7.716 3.041 -6.743 1.00 0.00 C ATOM 1825 CE1 PHE A 121 -7.125 1.125 -4.847 1.00 0.00 C ATOM 1826 CE2 PHE A 121 -7.186 1.825 -7.132 1.00 0.00 C ATOM 1827 CZ PHE A 121 -6.889 0.867 -6.183 1.00 0.00 C ATOM 0 H PHE A 121 -7.736 4.408 -2.482 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.696 5.747 -4.902 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -9.398 4.458 -4.346 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -8.893 5.163 -5.869 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.837 2.541 -3.418 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -7.945 3.787 -7.489 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.896 0.377 -4.103 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -7.004 1.624 -8.178 1.00 0.00 H new ATOM 0 HZ PHE A 121 -6.473 -0.083 -6.485 1.00 0.00 H new