USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 623 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 56 CYS SG : rot -75:sc= -2.25 USER MOD Set 1.2: A 61 GLN : amide:sc= -0.103 K(o=-2.4,f=-4.5!) USER MOD Set 2.1: A 47 ASN : amide:sc= -0.858 K(o=-0.96,f=-2.6!) USER MOD Set 2.2: A 49 ASN : amide:sc= -0.101 X(o=-0.96,f=-1.3) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -176:sc= -0.863 (180deg=-1.05) USER MOD Single : A 15 SER OG : rot 180:sc= 0.846 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 163:sc= 0 (180deg=-0.509) USER MOD Single : A 28 THR OG1 : rot 153:sc= -6.41! USER MOD Single : A 38 HIS : no HD1:sc= -2.97! K(o=-3!,f=-1.8) USER MOD Single : A 39 TYR OH : rot 175:sc= 0.531 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.275 K(o=-0.27,f=-1.8!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.511 K(o=0.51,f=-0.9) USER MOD Single : A 62 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00692) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot -150:sc= 0.0148 USER MOD Single : A 76 GLN : amide:sc= -3.72! C(o=-3.7!,f=-5.5!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -103:sc= 0.0469 USER MOD Single : A 80 HIS : no HD1:sc= -0.477 X(o=-0.48,f=-0.22) USER MOD Single : A 81 HIS : no HD1:sc= -4.29! C(o=-4.3!,f=-5.7!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 11 -4.141 -13.955 -1.645 1.00 0.00 N ATOM 112 CA LYS A 11 -3.587 -13.078 -0.628 1.00 0.00 C ATOM 113 C LYS A 11 -2.072 -13.278 -0.559 1.00 0.00 C ATOM 114 O LYS A 11 -1.550 -14.273 -1.060 1.00 0.00 O ATOM 115 CB LYS A 11 -4.297 -13.292 0.710 1.00 0.00 C ATOM 116 CG LYS A 11 -5.770 -12.887 0.620 1.00 0.00 C ATOM 117 CD LYS A 11 -6.324 -12.528 2.000 1.00 0.00 C ATOM 118 CE LYS A 11 -7.597 -13.321 2.303 1.00 0.00 C ATOM 119 NZ LYS A 11 -8.676 -12.415 2.757 1.00 0.00 N ATOM 0 HA LYS A 11 -3.760 -12.034 -0.890 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.221 -14.339 1.003 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.802 -12.708 1.486 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.876 -12.035 -0.052 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.350 -13.705 0.192 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.573 -12.734 2.762 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.538 -11.460 2.044 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.918 -13.860 1.412 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.394 -14.067 3.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.533 -12.969 2.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.373 -11.920 3.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.881 -11.719 2.012 1.00 0.00 H new ATOM 133 N PHE A 12 -1.408 -12.316 0.065 1.00 0.00 N ATOM 134 CA PHE A 12 0.037 -12.374 0.206 1.00 0.00 C ATOM 135 C PHE A 12 0.470 -11.936 1.607 1.00 0.00 C ATOM 136 O PHE A 12 0.007 -10.915 2.112 1.00 0.00 O ATOM 137 CB PHE A 12 0.626 -11.406 -0.823 1.00 0.00 C ATOM 138 CG PHE A 12 0.136 -11.643 -2.253 1.00 0.00 C ATOM 139 CD1 PHE A 12 0.753 -12.567 -3.038 1.00 0.00 C ATOM 140 CD2 PHE A 12 -0.916 -10.931 -2.738 1.00 0.00 C ATOM 141 CE1 PHE A 12 0.298 -12.787 -4.365 1.00 0.00 C ATOM 142 CE2 PHE A 12 -1.370 -11.151 -4.065 1.00 0.00 C ATOM 143 CZ PHE A 12 -0.754 -12.074 -4.851 1.00 0.00 C ATOM 0 H PHE A 12 -1.844 -11.492 0.479 1.00 0.00 H new ATOM 0 HA PHE A 12 0.385 -13.395 0.050 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.379 -10.386 -0.530 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.713 -11.489 -0.804 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.588 -13.133 -2.652 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.406 -10.198 -2.114 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.787 -13.521 -4.989 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.205 -10.585 -4.450 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.100 -12.241 -5.860 1.00 0.00 H new ATOM 153 N LYS A 13 1.353 -12.731 2.194 1.00 0.00 N ATOM 154 CA LYS A 13 1.853 -12.438 3.526 1.00 0.00 C ATOM 155 C LYS A 13 2.561 -11.082 3.514 1.00 0.00 C ATOM 156 O LYS A 13 2.810 -10.517 2.450 1.00 0.00 O ATOM 157 CB LYS A 13 2.729 -13.585 4.033 1.00 0.00 C ATOM 158 CG LYS A 13 1.874 -14.711 4.619 1.00 0.00 C ATOM 159 CD LYS A 13 2.716 -15.638 5.497 1.00 0.00 C ATOM 160 CE LYS A 13 2.021 -15.909 6.833 1.00 0.00 C ATOM 161 NZ LYS A 13 2.533 -14.994 7.878 1.00 0.00 N ATOM 0 H LYS A 13 1.735 -13.577 1.771 1.00 0.00 H new ATOM 0 HA LYS A 13 1.028 -12.360 4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.336 -13.973 3.215 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.417 -13.213 4.792 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.061 -14.286 5.208 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.418 -15.284 3.812 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.890 -16.579 4.976 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.692 -15.188 5.676 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.944 -15.779 6.723 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.188 -16.943 7.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.101 -15.236 8.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.566 -15.089 7.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.292 -14.013 7.629 1.00 0.00 H new ATOM 175 N LEU A 14 2.866 -10.599 4.709 1.00 0.00 N ATOM 176 CA LEU A 14 3.541 -9.320 4.850 1.00 0.00 C ATOM 177 C LEU A 14 4.904 -9.537 5.509 1.00 0.00 C ATOM 178 O LEU A 14 5.123 -10.549 6.172 1.00 0.00 O ATOM 179 CB LEU A 14 2.650 -8.323 5.593 1.00 0.00 C ATOM 180 CG LEU A 14 1.562 -7.643 4.759 1.00 0.00 C ATOM 181 CD1 LEU A 14 0.181 -8.212 5.090 1.00 0.00 C ATOM 182 CD2 LEU A 14 1.611 -6.123 4.928 1.00 0.00 C ATOM 0 H LEU A 14 2.658 -11.071 5.589 1.00 0.00 H new ATOM 0 HA LEU A 14 3.727 -8.878 3.871 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.172 -8.842 6.423 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.286 -7.550 6.024 1.00 0.00 H new ATOM 0 HG LEU A 14 1.755 -7.857 3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.574 -7.711 4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.167 -9.281 4.877 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.036 -8.050 6.146 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.828 -5.664 4.325 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.457 -5.868 5.977 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.583 -5.752 4.603 1.00 0.00 H new ATOM 194 N SER A 15 5.786 -8.569 5.304 1.00 0.00 N ATOM 195 CA SER A 15 7.122 -8.642 5.871 1.00 0.00 C ATOM 196 C SER A 15 7.114 -8.097 7.300 1.00 0.00 C ATOM 197 O SER A 15 6.134 -7.493 7.733 1.00 0.00 O ATOM 198 CB SER A 15 8.126 -7.868 5.014 1.00 0.00 C ATOM 199 OG SER A 15 8.229 -6.504 5.412 1.00 0.00 O ATOM 0 H SER A 15 5.601 -7.730 4.753 1.00 0.00 H new ATOM 0 HA SER A 15 7.430 -9.688 5.889 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.105 -8.342 5.086 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.824 -7.918 3.968 1.00 0.00 H new ATOM 0 HG SER A 15 8.881 -6.045 4.842 1.00 0.00 H new ATOM 205 N THR A 16 8.218 -8.331 7.995 1.00 0.00 N ATOM 206 CA THR A 16 8.351 -7.872 9.367 1.00 0.00 C ATOM 207 C THR A 16 8.190 -6.352 9.438 1.00 0.00 C ATOM 208 O THR A 16 7.644 -5.827 10.407 1.00 0.00 O ATOM 209 CB THR A 16 9.697 -8.366 9.902 1.00 0.00 C ATOM 210 OG1 THR A 16 9.460 -9.733 10.228 1.00 0.00 O ATOM 211 CG2 THR A 16 10.066 -7.723 11.241 1.00 0.00 C ATOM 0 H THR A 16 9.029 -8.833 7.633 1.00 0.00 H new ATOM 0 HA THR A 16 7.563 -8.281 10.000 1.00 0.00 H new ATOM 0 HB THR A 16 10.478 -8.156 9.171 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.282 -10.132 10.581 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.029 -8.108 11.576 1.00 0.00 H new ATOM 0 HG22 THR A 16 10.129 -6.642 11.120 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.303 -7.961 11.982 1.00 0.00 H new ATOM 219 N ALA A 17 8.676 -5.688 8.400 1.00 0.00 N ATOM 220 CA ALA A 17 8.592 -4.239 8.332 1.00 0.00 C ATOM 221 C ALA A 17 7.206 -3.835 7.827 1.00 0.00 C ATOM 222 O ALA A 17 6.572 -2.944 8.389 1.00 0.00 O ATOM 223 CB ALA A 17 9.716 -3.703 7.443 1.00 0.00 C ATOM 0 H ALA A 17 9.130 -6.127 7.599 1.00 0.00 H new ATOM 0 HA ALA A 17 8.722 -3.801 9.322 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.653 -2.616 7.392 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.680 -3.991 7.862 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.617 -4.119 6.441 1.00 0.00 H new ATOM 229 N LEU A 18 6.776 -4.510 6.771 1.00 0.00 N ATOM 230 CA LEU A 18 5.477 -4.233 6.184 1.00 0.00 C ATOM 231 C LEU A 18 4.382 -4.541 7.208 1.00 0.00 C ATOM 232 O LEU A 18 3.299 -3.962 7.157 1.00 0.00 O ATOM 233 CB LEU A 18 5.313 -4.988 4.863 1.00 0.00 C ATOM 234 CG LEU A 18 4.639 -4.216 3.727 1.00 0.00 C ATOM 235 CD1 LEU A 18 5.507 -3.042 3.271 1.00 0.00 C ATOM 236 CD2 LEU A 18 4.280 -5.147 2.568 1.00 0.00 C ATOM 0 H LEU A 18 7.305 -5.248 6.307 1.00 0.00 H new ATOM 0 HA LEU A 18 5.391 -3.176 5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.299 -5.306 4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.735 -5.892 5.054 1.00 0.00 H new ATOM 0 HG LEU A 18 3.706 -3.799 4.105 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.005 -2.510 2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.668 -2.362 4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.468 -3.416 2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.802 -4.572 1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.186 -5.614 2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.595 -5.919 2.920 1.00 0.00 H new ATOM 248 N MET A 19 4.704 -5.454 8.113 1.00 0.00 N ATOM 249 CA MET A 19 3.762 -5.846 9.147 1.00 0.00 C ATOM 250 C MET A 19 3.642 -4.762 10.220 1.00 0.00 C ATOM 251 O MET A 19 2.579 -4.583 10.811 1.00 0.00 O ATOM 252 CB MET A 19 4.226 -7.154 9.791 1.00 0.00 C ATOM 253 CG MET A 19 3.800 -8.361 8.953 1.00 0.00 C ATOM 254 SD MET A 19 4.984 -9.683 9.140 1.00 0.00 S ATOM 255 CE MET A 19 4.982 -9.853 10.916 1.00 0.00 C ATOM 0 H MET A 19 5.604 -5.933 8.151 1.00 0.00 H new ATOM 0 HA MET A 19 2.783 -5.984 8.687 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.311 -7.146 9.898 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.808 -7.238 10.794 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.812 -8.700 9.265 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.723 -8.077 7.904 1.00 0.00 H new ATOM 0 HE1 MET A 19 5.422 -10.812 11.190 1.00 0.00 H new ATOM 0 HE2 MET A 19 5.565 -9.046 11.359 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.957 -9.805 11.285 1.00 0.00 H new ATOM 265 N ASP A 20 4.749 -4.067 10.439 1.00 0.00 N ATOM 266 CA ASP A 20 4.782 -3.005 11.430 1.00 0.00 C ATOM 267 C ASP A 20 4.384 -1.684 10.770 1.00 0.00 C ATOM 268 O ASP A 20 4.348 -0.644 11.426 1.00 0.00 O ATOM 269 CB ASP A 20 6.187 -2.839 12.013 1.00 0.00 C ATOM 270 CG ASP A 20 6.275 -2.969 13.535 1.00 0.00 C ATOM 271 OD1 ASP A 20 5.197 -3.008 14.165 1.00 0.00 O ATOM 272 OD2 ASP A 20 7.420 -3.027 14.033 1.00 0.00 O ATOM 0 H ASP A 20 5.630 -4.219 9.947 1.00 0.00 H new ATOM 0 HA ASP A 20 4.089 -3.268 12.229 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.842 -3.584 11.561 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.571 -1.860 11.724 1.00 0.00 H new ATOM 277 N VAL A 21 4.096 -1.768 9.479 1.00 0.00 N ATOM 278 CA VAL A 21 3.703 -0.591 8.722 1.00 0.00 C ATOM 279 C VAL A 21 2.178 -0.475 8.725 1.00 0.00 C ATOM 280 O VAL A 21 1.633 0.585 9.031 1.00 0.00 O ATOM 281 CB VAL A 21 4.295 -0.654 7.313 1.00 0.00 C ATOM 282 CG1 VAL A 21 3.783 0.503 6.451 1.00 0.00 C ATOM 283 CG2 VAL A 21 5.824 -0.666 7.360 1.00 0.00 C ATOM 0 H VAL A 21 4.127 -2.632 8.938 1.00 0.00 H new ATOM 0 HA VAL A 21 4.099 0.312 9.186 1.00 0.00 H new ATOM 0 HB VAL A 21 3.967 -1.586 6.854 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.219 0.435 5.454 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.697 0.448 6.376 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.068 1.451 6.908 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.219 -0.711 6.345 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.180 0.241 7.848 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.164 -1.537 7.921 1.00 0.00 H new ATOM 293 N LEU A 22 1.531 -1.579 8.381 1.00 0.00 N ATOM 294 CA LEU A 22 0.079 -1.614 8.340 1.00 0.00 C ATOM 295 C LEU A 22 -0.445 -2.330 9.587 1.00 0.00 C ATOM 296 O LEU A 22 -1.242 -1.772 10.339 1.00 0.00 O ATOM 297 CB LEU A 22 -0.405 -2.232 7.027 1.00 0.00 C ATOM 298 CG LEU A 22 0.338 -1.791 5.764 1.00 0.00 C ATOM 299 CD1 LEU A 22 0.082 -2.763 4.610 1.00 0.00 C ATOM 300 CD2 LEU A 22 -0.020 -0.351 5.392 1.00 0.00 C ATOM 0 H LEU A 22 1.986 -2.456 8.128 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.327 -0.603 8.358 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.329 -3.316 7.109 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.462 -1.995 6.905 1.00 0.00 H new ATOM 0 HG LEU A 22 1.408 -1.813 5.971 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.621 -2.427 3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.428 -3.758 4.889 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.986 -2.797 4.393 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.522 -0.063 4.491 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.092 -0.278 5.210 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.255 0.315 6.210 1.00 0.00 H new ATOM 312 N GLY A 23 0.025 -3.556 9.767 1.00 0.00 N ATOM 313 CA GLY A 23 -0.386 -4.354 10.910 1.00 0.00 C ATOM 314 C GLY A 23 -1.144 -5.605 10.460 1.00 0.00 C ATOM 315 O GLY A 23 -2.067 -6.053 11.139 1.00 0.00 O ATOM 0 H GLY A 23 0.686 -4.016 9.141 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.490 -4.644 11.490 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.019 -3.757 11.566 1.00 0.00 H new ATOM 319 N ILE A 24 -0.728 -6.132 9.319 1.00 0.00 N ATOM 320 CA ILE A 24 -1.356 -7.322 8.771 1.00 0.00 C ATOM 321 C ILE A 24 -0.291 -8.396 8.540 1.00 0.00 C ATOM 322 O ILE A 24 0.889 -8.083 8.396 1.00 0.00 O ATOM 323 CB ILE A 24 -2.160 -6.974 7.516 1.00 0.00 C ATOM 324 CG1 ILE A 24 -1.463 -5.880 6.704 1.00 0.00 C ATOM 325 CG2 ILE A 24 -3.598 -6.593 7.874 1.00 0.00 C ATOM 326 CD1 ILE A 24 -2.231 -5.580 5.415 1.00 0.00 C ATOM 0 H ILE A 24 0.037 -5.757 8.758 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.075 -7.733 9.479 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.209 -7.862 6.885 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.383 -4.973 7.303 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.447 -6.193 6.462 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.147 -6.350 6.964 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.082 -7.430 8.378 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.591 -5.727 8.536 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.714 -4.799 4.857 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.288 -6.483 4.807 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.238 -5.244 5.661 1.00 0.00 H new ATOM 338 N GLU A 25 -0.747 -9.640 8.513 1.00 0.00 N ATOM 339 CA GLU A 25 0.152 -10.762 8.302 1.00 0.00 C ATOM 340 C GLU A 25 -0.050 -11.349 6.904 1.00 0.00 C ATOM 341 O GLU A 25 0.863 -11.951 6.342 1.00 0.00 O ATOM 342 CB GLU A 25 -0.044 -11.831 9.379 1.00 0.00 C ATOM 343 CG GLU A 25 1.240 -12.634 9.594 1.00 0.00 C ATOM 344 CD GLU A 25 1.710 -12.537 11.047 1.00 0.00 C ATOM 345 OE1 GLU A 25 0.826 -12.414 11.923 1.00 0.00 O ATOM 346 OE2 GLU A 25 2.943 -12.587 11.249 1.00 0.00 O ATOM 0 H GLU A 25 -1.727 -9.895 8.634 1.00 0.00 H new ATOM 0 HA GLU A 25 1.177 -10.400 8.378 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.343 -11.359 10.315 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.852 -12.502 9.088 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.068 -13.678 9.332 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.021 -12.263 8.930 1.00 0.00 H new ATOM 353 N VAL A 26 -1.252 -11.152 6.382 1.00 0.00 N ATOM 354 CA VAL A 26 -1.586 -11.654 5.060 1.00 0.00 C ATOM 355 C VAL A 26 -2.831 -10.930 4.543 1.00 0.00 C ATOM 356 O VAL A 26 -3.926 -11.118 5.071 1.00 0.00 O ATOM 357 CB VAL A 26 -1.753 -13.174 5.104 1.00 0.00 C ATOM 358 CG1 VAL A 26 -1.610 -13.700 6.534 1.00 0.00 C ATOM 359 CG2 VAL A 26 -3.092 -13.596 4.496 1.00 0.00 C ATOM 0 H VAL A 26 -2.007 -10.651 6.851 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.777 -11.450 4.359 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.958 -13.616 4.503 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.733 -14.783 6.537 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.622 -13.446 6.918 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.373 -13.246 7.167 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.186 -14.681 4.540 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.907 -13.139 5.057 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.139 -13.269 3.457 1.00 0.00 H new ATOM 369 N GLU A 27 -2.621 -10.118 3.517 1.00 0.00 N ATOM 370 CA GLU A 27 -3.713 -9.365 2.924 1.00 0.00 C ATOM 371 C GLU A 27 -3.658 -9.465 1.398 1.00 0.00 C ATOM 372 O GLU A 27 -2.636 -9.854 0.834 1.00 0.00 O ATOM 373 CB GLU A 27 -3.683 -7.905 3.379 1.00 0.00 C ATOM 374 CG GLU A 27 -5.092 -7.404 3.705 1.00 0.00 C ATOM 375 CD GLU A 27 -5.776 -8.316 4.725 1.00 0.00 C ATOM 376 OE1 GLU A 27 -5.149 -8.561 5.778 1.00 0.00 O ATOM 377 OE2 GLU A 27 -6.911 -8.748 4.429 1.00 0.00 O ATOM 0 H GLU A 27 -1.711 -9.965 3.082 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.654 -9.797 3.264 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.046 -7.807 4.258 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.245 -7.285 2.597 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.039 -6.389 4.098 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.687 -7.362 2.793 1.00 0.00 H new ATOM 384 N THR A 28 -4.770 -9.106 0.773 1.00 0.00 N ATOM 385 CA THR A 28 -4.861 -9.150 -0.677 1.00 0.00 C ATOM 386 C THR A 28 -3.784 -8.265 -1.306 1.00 0.00 C ATOM 387 O THR A 28 -2.886 -7.786 -0.614 1.00 0.00 O ATOM 388 CB THR A 28 -6.284 -8.751 -1.073 1.00 0.00 C ATOM 389 OG1 THR A 28 -6.389 -7.390 -0.665 1.00 0.00 O ATOM 390 CG2 THR A 28 -7.347 -9.472 -0.242 1.00 0.00 C ATOM 0 H THR A 28 -5.615 -8.783 1.244 1.00 0.00 H new ATOM 0 HA THR A 28 -4.672 -10.155 -1.055 1.00 0.00 H new ATOM 0 HB THR A 28 -6.441 -8.968 -2.130 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.047 -6.930 -1.227 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.338 -9.153 -0.563 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.249 -10.549 -0.381 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.212 -9.229 0.812 1.00 0.00 H new ATOM 398 N ARG A 29 -3.908 -8.074 -2.611 1.00 0.00 N ATOM 399 CA ARG A 29 -2.956 -7.254 -3.341 1.00 0.00 C ATOM 400 C ARG A 29 -3.323 -5.774 -3.215 1.00 0.00 C ATOM 401 O ARG A 29 -2.454 -4.932 -2.997 1.00 0.00 O ATOM 402 CB ARG A 29 -2.920 -7.639 -4.822 1.00 0.00 C ATOM 403 CG ARG A 29 -1.601 -7.211 -5.468 1.00 0.00 C ATOM 404 CD ARG A 29 -1.653 -7.383 -6.987 1.00 0.00 C ATOM 405 NE ARG A 29 -1.495 -6.070 -7.651 1.00 0.00 N ATOM 406 CZ ARG A 29 -2.511 -5.239 -7.921 1.00 0.00 C ATOM 407 NH1 ARG A 29 -3.763 -5.579 -7.586 1.00 0.00 N ATOM 408 NH2 ARG A 29 -2.274 -4.067 -8.526 1.00 0.00 N ATOM 0 H ARG A 29 -4.653 -8.473 -3.182 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.970 -7.425 -2.908 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.046 -8.717 -4.924 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.754 -7.169 -5.344 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.393 -6.169 -5.223 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.783 -7.804 -5.059 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.864 -8.061 -7.312 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.601 -7.835 -7.278 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.555 -5.780 -7.920 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.943 -6.471 -7.125 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.536 -4.946 -7.792 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.321 -3.808 -8.781 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.047 -3.434 -8.732 1.00 0.00 H new ATOM 422 N PRO A 30 -4.646 -5.496 -3.362 1.00 0.00 N ATOM 423 CA PRO A 30 -5.139 -4.132 -3.266 1.00 0.00 C ATOM 424 C PRO A 30 -5.165 -3.659 -1.811 1.00 0.00 C ATOM 425 O PRO A 30 -4.561 -2.641 -1.475 1.00 0.00 O ATOM 426 CB PRO A 30 -6.518 -4.166 -3.904 1.00 0.00 C ATOM 427 CG PRO A 30 -6.937 -5.627 -3.913 1.00 0.00 C ATOM 428 CD PRO A 30 -5.704 -6.467 -3.621 1.00 0.00 C ATOM 0 HA PRO A 30 -4.496 -3.416 -3.777 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.225 -3.560 -3.338 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.490 -3.761 -4.916 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.708 -5.808 -3.164 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.362 -5.896 -4.880 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.863 -7.118 -2.761 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.454 -7.109 -4.465 1.00 0.00 H new ATOM 436 N ARG A 31 -5.870 -4.420 -0.988 1.00 0.00 N ATOM 437 CA ARG A 31 -5.983 -4.091 0.423 1.00 0.00 C ATOM 438 C ARG A 31 -4.669 -3.500 0.937 1.00 0.00 C ATOM 439 O ARG A 31 -4.671 -2.502 1.655 1.00 0.00 O ATOM 440 CB ARG A 31 -6.336 -5.329 1.251 1.00 0.00 C ATOM 441 CG ARG A 31 -7.717 -5.867 0.870 1.00 0.00 C ATOM 442 CD ARG A 31 -8.806 -5.258 1.756 1.00 0.00 C ATOM 443 NE ARG A 31 -9.772 -6.303 2.161 1.00 0.00 N ATOM 444 CZ ARG A 31 -10.931 -6.053 2.786 1.00 0.00 C ATOM 445 NH1 ARG A 31 -11.274 -4.792 3.081 1.00 0.00 N ATOM 446 NH2 ARG A 31 -11.746 -7.064 3.115 1.00 0.00 N ATOM 0 H ARG A 31 -6.369 -5.264 -1.271 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.782 -3.357 0.529 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.584 -6.103 1.094 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.319 -5.079 2.312 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.924 -5.639 -0.176 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.728 -6.953 0.968 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.356 -4.805 2.639 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.322 -4.463 1.218 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.542 -7.274 1.951 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.653 -4.023 2.830 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.156 -4.601 3.557 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.484 -8.024 2.890 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.628 -6.874 3.591 1.00 0.00 H new ATOM 460 N ILE A 32 -3.576 -4.143 0.550 1.00 0.00 N ATOM 461 CA ILE A 32 -2.258 -3.694 0.962 1.00 0.00 C ATOM 462 C ILE A 32 -1.954 -2.345 0.306 1.00 0.00 C ATOM 463 O ILE A 32 -1.815 -1.334 0.992 1.00 0.00 O ATOM 464 CB ILE A 32 -1.210 -4.769 0.671 1.00 0.00 C ATOM 465 CG1 ILE A 32 -1.622 -6.114 1.273 1.00 0.00 C ATOM 466 CG2 ILE A 32 0.176 -4.328 1.147 1.00 0.00 C ATOM 467 CD1 ILE A 32 -0.680 -7.230 0.818 1.00 0.00 C ATOM 0 H ILE A 32 -3.577 -4.972 -0.045 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.230 -3.538 2.040 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.151 -4.904 -0.409 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.614 -6.047 2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.643 -6.352 0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.902 -5.111 0.928 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.463 -3.412 0.631 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.151 -4.147 2.222 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.995 -8.175 1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.709 -7.310 -0.269 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.337 -7.001 1.138 1.00 0.00 H new ATOM 479 N ILE A 33 -1.861 -2.375 -1.016 1.00 0.00 N ATOM 480 CA ILE A 33 -1.577 -1.167 -1.773 1.00 0.00 C ATOM 481 C ILE A 33 -2.370 -0.001 -1.180 1.00 0.00 C ATOM 482 O ILE A 33 -1.837 1.095 -1.013 1.00 0.00 O ATOM 483 CB ILE A 33 -1.839 -1.395 -3.263 1.00 0.00 C ATOM 484 CG1 ILE A 33 -0.857 -2.416 -3.842 1.00 0.00 C ATOM 485 CG2 ILE A 33 -1.812 -0.073 -4.033 1.00 0.00 C ATOM 486 CD1 ILE A 33 -1.390 -3.008 -5.149 1.00 0.00 C ATOM 0 H ILE A 33 -1.977 -3.216 -1.582 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.521 -0.907 -1.695 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.840 -1.812 -3.374 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.106 -1.939 -4.021 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.688 -3.214 -3.119 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.001 -0.263 -5.089 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.581 0.592 -3.641 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.834 0.395 -3.918 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.674 -3.731 -5.540 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.342 -3.505 -4.962 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.535 -2.210 -5.877 1.00 0.00 H new ATOM 498 N ALA A 34 -3.631 -0.276 -0.880 1.00 0.00 N ATOM 499 CA ALA A 34 -4.502 0.737 -0.310 1.00 0.00 C ATOM 500 C ALA A 34 -4.033 1.069 1.108 1.00 0.00 C ATOM 501 O ALA A 34 -3.886 2.238 1.460 1.00 0.00 O ATOM 502 CB ALA A 34 -5.950 0.244 -0.344 1.00 0.00 C ATOM 0 H ALA A 34 -4.070 -1.186 -1.021 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.456 1.655 -0.896 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.603 1.004 0.084 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.245 0.051 -1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.035 -0.675 0.236 1.00 0.00 H new ATOM 508 N ALA A 35 -3.811 0.018 1.884 1.00 0.00 N ATOM 509 CA ALA A 35 -3.361 0.182 3.256 1.00 0.00 C ATOM 510 C ALA A 35 -2.219 1.200 3.295 1.00 0.00 C ATOM 511 O ALA A 35 -2.051 1.912 4.284 1.00 0.00 O ATOM 512 CB ALA A 35 -2.950 -1.177 3.825 1.00 0.00 C ATOM 0 H ALA A 35 -3.934 -0.950 1.589 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.167 0.566 3.881 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.613 -1.054 4.854 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.804 -1.854 3.802 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.140 -1.593 3.225 1.00 0.00 H new ATOM 518 N ILE A 36 -1.464 1.236 2.208 1.00 0.00 N ATOM 519 CA ILE A 36 -0.343 2.155 2.105 1.00 0.00 C ATOM 520 C ILE A 36 -0.853 3.529 1.667 1.00 0.00 C ATOM 521 O ILE A 36 -0.351 4.556 2.121 1.00 0.00 O ATOM 522 CB ILE A 36 0.740 1.580 1.189 1.00 0.00 C ATOM 523 CG1 ILE A 36 1.369 0.328 1.804 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.788 2.640 0.847 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.267 -0.387 0.792 1.00 0.00 C ATOM 0 H ILE A 36 -1.606 0.643 1.390 1.00 0.00 H new ATOM 0 HA ILE A 36 0.132 2.286 3.077 1.00 0.00 H new ATOM 0 HB ILE A 36 0.271 1.278 0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.952 0.604 2.682 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.585 -0.349 2.142 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.546 2.205 0.195 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.308 3.476 0.338 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.259 2.996 1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.702 -1.273 1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.675 -0.683 -0.074 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.064 0.285 0.475 1.00 0.00 H new ATOM 537 N TRP A 37 -1.845 3.504 0.789 1.00 0.00 N ATOM 538 CA TRP A 37 -2.429 4.735 0.284 1.00 0.00 C ATOM 539 C TRP A 37 -3.009 5.505 1.471 1.00 0.00 C ATOM 540 O TRP A 37 -2.856 6.722 1.561 1.00 0.00 O ATOM 541 CB TRP A 37 -3.465 4.444 -0.804 1.00 0.00 C ATOM 542 CG TRP A 37 -2.872 3.866 -2.090 1.00 0.00 C ATOM 543 CD1 TRP A 37 -1.665 3.308 -2.265 1.00 0.00 C ATOM 544 CD2 TRP A 37 -3.511 3.810 -3.383 1.00 0.00 C ATOM 545 NE1 TRP A 37 -1.481 2.899 -3.570 1.00 0.00 N ATOM 546 CE2 TRP A 37 -2.639 3.214 -4.271 1.00 0.00 C ATOM 547 CE3 TRP A 37 -4.784 4.248 -3.788 1.00 0.00 C ATOM 548 CZ2 TRP A 37 -2.946 3.002 -5.621 1.00 0.00 C ATOM 549 CZ3 TRP A 37 -5.075 4.030 -5.140 1.00 0.00 C ATOM 550 CH2 TRP A 37 -4.209 3.431 -6.047 1.00 0.00 C ATOM 0 H TRP A 37 -2.259 2.650 0.414 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.670 5.354 -0.195 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.203 3.745 -0.411 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.995 5.366 -1.043 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.929 3.193 -1.483 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.649 2.449 -3.950 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.482 4.716 -3.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -2.246 2.533 -6.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -6.040 4.350 -5.504 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.509 3.297 -7.076 1.00 0.00 H new ATOM 561 N HIS A 38 -3.663 4.764 2.354 1.00 0.00 N ATOM 562 CA HIS A 38 -4.267 5.362 3.532 1.00 0.00 C ATOM 563 C HIS A 38 -3.172 5.758 4.525 1.00 0.00 C ATOM 564 O HIS A 38 -3.019 6.934 4.850 1.00 0.00 O ATOM 565 CB HIS A 38 -5.310 4.424 4.143 1.00 0.00 C ATOM 566 CG HIS A 38 -5.670 4.754 5.572 1.00 0.00 C ATOM 567 ND1 HIS A 38 -6.115 3.801 6.472 1.00 0.00 N ATOM 568 CD2 HIS A 38 -5.644 5.938 6.248 1.00 0.00 C ATOM 569 CE1 HIS A 38 -6.345 4.396 7.633 1.00 0.00 C ATOM 570 NE2 HIS A 38 -6.053 5.721 7.492 1.00 0.00 N ATOM 0 H HIS A 38 -3.788 3.755 2.277 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.800 6.270 3.251 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.214 4.457 3.535 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -4.934 3.402 4.101 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.342 6.891 5.840 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.701 3.916 8.533 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.135 6.428 8.222 1.00 0.00 H new ATOM 578 N TYR A 39 -2.438 4.752 4.979 1.00 0.00 N ATOM 579 CA TYR A 39 -1.362 4.981 5.929 1.00 0.00 C ATOM 580 C TYR A 39 -0.569 6.238 5.567 1.00 0.00 C ATOM 581 O TYR A 39 -0.308 7.080 6.425 1.00 0.00 O ATOM 582 CB TYR A 39 -0.441 3.764 5.823 1.00 0.00 C ATOM 583 CG TYR A 39 0.844 3.882 6.644 1.00 0.00 C ATOM 584 CD1 TYR A 39 0.829 3.599 7.994 1.00 0.00 C ATOM 585 CD2 TYR A 39 2.019 4.274 6.034 1.00 0.00 C ATOM 586 CE1 TYR A 39 2.039 3.711 8.768 1.00 0.00 C ATOM 587 CE2 TYR A 39 3.229 4.385 6.808 1.00 0.00 C ATOM 588 CZ TYR A 39 3.179 4.098 8.136 1.00 0.00 C ATOM 589 OH TYR A 39 4.321 4.204 8.866 1.00 0.00 O ATOM 0 H TYR A 39 -2.567 3.777 4.707 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.760 5.119 6.934 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.987 2.879 6.148 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.178 3.610 4.776 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.090 3.293 8.471 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.031 4.497 4.977 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.041 3.493 9.826 1.00 0.00 H new ATOM 0 HE2 TYR A 39 4.155 4.689 6.344 1.00 0.00 H new ATOM 0 HH TYR A 39 5.071 4.417 8.272 1.00 0.00 H new ATOM 599 N VAL A 40 -0.208 6.326 4.295 1.00 0.00 N ATOM 600 CA VAL A 40 0.549 7.466 3.809 1.00 0.00 C ATOM 601 C VAL A 40 -0.206 8.755 4.142 1.00 0.00 C ATOM 602 O VAL A 40 0.281 9.582 4.911 1.00 0.00 O ATOM 603 CB VAL A 40 0.831 7.309 2.313 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.356 8.615 1.714 1.00 0.00 C ATOM 605 CG2 VAL A 40 1.805 6.157 2.057 1.00 0.00 C ATOM 0 H VAL A 40 -0.426 5.626 3.586 1.00 0.00 H new ATOM 0 HA VAL A 40 1.518 7.519 4.305 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.110 7.068 1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.548 8.476 0.650 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.613 9.401 1.849 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.281 8.899 2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.989 6.067 0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.746 6.355 2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.376 5.228 2.431 1.00 0.00 H new ATOM 615 N LYS A 41 -1.383 8.883 3.548 1.00 0.00 N ATOM 616 CA LYS A 41 -2.210 10.057 3.772 1.00 0.00 C ATOM 617 C LYS A 41 -2.397 10.263 5.276 1.00 0.00 C ATOM 618 O LYS A 41 -2.245 11.376 5.777 1.00 0.00 O ATOM 619 CB LYS A 41 -3.526 9.941 2.999 1.00 0.00 C ATOM 620 CG LYS A 41 -3.440 10.672 1.658 1.00 0.00 C ATOM 621 CD LYS A 41 -4.830 10.862 1.047 1.00 0.00 C ATOM 622 CE LYS A 41 -4.764 10.846 -0.481 1.00 0.00 C ATOM 623 NZ LYS A 41 -6.028 11.353 -1.060 1.00 0.00 N ATOM 0 H LYS A 41 -1.784 8.194 2.912 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.718 10.949 3.386 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.761 8.890 2.830 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.339 10.358 3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.965 11.643 1.799 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.811 10.106 0.971 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.495 10.071 1.394 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.254 11.807 1.386 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.930 11.459 -0.821 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.578 9.831 -0.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.966 11.335 -2.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.818 10.751 -0.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.190 12.329 -0.739 1.00 0.00 H new ATOM 637 N ALA A 42 -2.725 9.174 5.955 1.00 0.00 N ATOM 638 CA ALA A 42 -2.935 9.221 7.392 1.00 0.00 C ATOM 639 C ALA A 42 -1.683 9.787 8.067 1.00 0.00 C ATOM 640 O ALA A 42 -1.782 10.539 9.035 1.00 0.00 O ATOM 641 CB ALA A 42 -3.292 7.824 7.903 1.00 0.00 C ATOM 0 H ALA A 42 -2.851 8.253 5.536 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.769 9.879 7.637 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.449 7.860 8.981 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.204 7.480 7.415 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.478 7.135 7.678 1.00 0.00 H new ATOM 647 N ARG A 43 -0.535 9.402 7.529 1.00 0.00 N ATOM 648 CA ARG A 43 0.734 9.861 8.067 1.00 0.00 C ATOM 649 C ARG A 43 1.155 11.168 7.393 1.00 0.00 C ATOM 650 O ARG A 43 2.285 11.624 7.565 1.00 0.00 O ATOM 651 CB ARG A 43 1.830 8.814 7.863 1.00 0.00 C ATOM 652 CG ARG A 43 1.450 7.486 8.521 1.00 0.00 C ATOM 653 CD ARG A 43 2.115 7.343 9.892 1.00 0.00 C ATOM 654 NE ARG A 43 1.585 8.368 10.820 1.00 0.00 N ATOM 655 CZ ARG A 43 2.233 8.800 11.910 1.00 0.00 C ATOM 656 NH1 ARG A 43 3.439 8.301 12.215 1.00 0.00 N ATOM 657 NH2 ARG A 43 1.677 9.733 12.694 1.00 0.00 N ATOM 0 H ARG A 43 -0.457 8.777 6.726 1.00 0.00 H new ATOM 0 HA ARG A 43 0.600 10.026 9.136 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.997 8.661 6.797 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.768 9.177 8.284 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.367 7.427 8.630 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.751 6.658 7.879 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.930 6.347 10.293 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.195 7.452 9.795 1.00 0.00 H new ATOM 0 HE ARG A 43 0.670 8.770 10.617 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.864 7.592 11.617 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.932 8.630 13.045 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.760 10.115 12.461 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.170 10.062 13.524 1.00 0.00 H new ATOM 671 N LYS A 44 0.224 11.735 6.640 1.00 0.00 N ATOM 672 CA LYS A 44 0.484 12.981 5.939 1.00 0.00 C ATOM 673 C LYS A 44 1.792 12.856 5.155 1.00 0.00 C ATOM 674 O LYS A 44 2.505 13.841 4.970 1.00 0.00 O ATOM 675 CB LYS A 44 0.462 14.159 6.915 1.00 0.00 C ATOM 676 CG LYS A 44 -0.701 15.105 6.606 1.00 0.00 C ATOM 677 CD LYS A 44 -0.364 16.024 5.431 1.00 0.00 C ATOM 678 CE LYS A 44 -1.411 15.904 4.322 1.00 0.00 C ATOM 679 NZ LYS A 44 -1.109 16.845 3.220 1.00 0.00 N ATOM 0 H LYS A 44 -0.712 11.354 6.500 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.305 13.183 5.214 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.373 13.788 7.936 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.404 14.703 6.855 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.594 14.525 6.374 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.930 15.705 7.487 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.312 17.057 5.776 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.620 15.769 5.036 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.430 14.883 3.941 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.402 16.113 4.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.829 16.751 2.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.113 17.819 3.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.172 16.627 2.825 1.00 0.00 H new ATOM 693 N LEU A 45 2.067 11.637 4.715 1.00 0.00 N ATOM 694 CA LEU A 45 3.277 11.371 3.955 1.00 0.00 C ATOM 695 C LEU A 45 3.074 11.822 2.507 1.00 0.00 C ATOM 696 O LEU A 45 4.029 12.202 1.832 1.00 0.00 O ATOM 697 CB LEU A 45 3.682 9.902 4.091 1.00 0.00 C ATOM 698 CG LEU A 45 4.340 9.508 5.414 1.00 0.00 C ATOM 699 CD1 LEU A 45 4.406 7.986 5.562 1.00 0.00 C ATOM 700 CD2 LEU A 45 5.718 10.158 5.557 1.00 0.00 C ATOM 0 H LEU A 45 1.473 10.822 4.870 1.00 0.00 H new ATOM 0 HA LEU A 45 4.112 11.946 4.354 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.793 9.286 3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.368 9.658 3.280 1.00 0.00 H new ATOM 0 HG LEU A 45 3.721 9.884 6.228 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.878 7.733 6.511 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.397 7.574 5.537 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.990 7.566 4.743 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.164 9.861 6.506 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.360 9.834 4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.613 11.243 5.529 1.00 0.00 H new ATOM 712 N GLN A 46 1.823 11.764 2.073 1.00 0.00 N ATOM 713 CA GLN A 46 1.483 12.162 0.717 1.00 0.00 C ATOM 714 C GLN A 46 2.278 13.405 0.313 1.00 0.00 C ATOM 715 O GLN A 46 2.506 14.293 1.132 1.00 0.00 O ATOM 716 CB GLN A 46 -0.022 12.404 0.578 1.00 0.00 C ATOM 717 CG GLN A 46 -0.418 12.564 -0.891 1.00 0.00 C ATOM 718 CD GLN A 46 -1.823 13.156 -1.018 1.00 0.00 C ATOM 719 OE1 GLN A 46 -2.414 13.631 -0.062 1.00 0.00 O ATOM 720 NE2 GLN A 46 -2.324 13.101 -2.249 1.00 0.00 N ATOM 0 H GLN A 46 1.033 11.448 2.636 1.00 0.00 H new ATOM 0 HA GLN A 46 1.751 11.349 0.042 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.570 11.571 1.017 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.303 13.299 1.134 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.300 13.210 -1.397 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.381 11.595 -1.389 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.776 12.690 -3.005 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.256 13.470 -2.437 1.00 0.00 H new ATOM 729 N ASN A 47 2.677 13.427 -0.950 1.00 0.00 N ATOM 730 CA ASN A 47 3.442 14.547 -1.473 1.00 0.00 C ATOM 731 C ASN A 47 2.494 15.526 -2.168 1.00 0.00 C ATOM 732 O ASN A 47 1.618 15.115 -2.927 1.00 0.00 O ATOM 733 CB ASN A 47 4.473 14.077 -2.501 1.00 0.00 C ATOM 734 CG ASN A 47 5.705 14.985 -2.496 1.00 0.00 C ATOM 735 OD1 ASN A 47 5.730 16.044 -3.101 1.00 0.00 O ATOM 736 ND2 ASN A 47 6.723 14.512 -1.782 1.00 0.00 N ATOM 0 H ASN A 47 2.485 12.688 -1.626 1.00 0.00 H new ATOM 0 HA ASN A 47 3.956 15.024 -0.638 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.771 13.052 -2.280 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.025 14.071 -3.495 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.591 15.044 -1.717 1.00 0.00 H new ATOM 0 HD22 ASN A 47 6.636 13.618 -1.300 1.00 0.00 H new ATOM 743 N PRO A 48 2.707 16.837 -1.876 1.00 0.00 N ATOM 744 CA PRO A 48 1.882 17.879 -2.464 1.00 0.00 C ATOM 745 C PRO A 48 2.253 18.109 -3.930 1.00 0.00 C ATOM 746 O PRO A 48 1.378 18.172 -4.793 1.00 0.00 O ATOM 747 CB PRO A 48 2.113 19.103 -1.593 1.00 0.00 C ATOM 748 CG PRO A 48 3.404 18.838 -0.836 1.00 0.00 C ATOM 749 CD PRO A 48 3.735 17.361 -0.981 1.00 0.00 C ATOM 0 HA PRO A 48 0.824 17.617 -2.485 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.194 20.005 -2.200 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.281 19.256 -0.905 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.213 19.451 -1.234 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.291 19.102 0.215 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.732 17.218 -1.397 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.716 16.854 -0.016 1.00 0.00 H new ATOM 757 N ASN A 49 3.551 18.229 -4.167 1.00 0.00 N ATOM 758 CA ASN A 49 4.048 18.452 -5.514 1.00 0.00 C ATOM 759 C ASN A 49 3.415 17.431 -6.462 1.00 0.00 C ATOM 760 O ASN A 49 2.726 17.804 -7.411 1.00 0.00 O ATOM 761 CB ASN A 49 5.567 18.275 -5.577 1.00 0.00 C ATOM 762 CG ASN A 49 6.265 19.167 -4.548 1.00 0.00 C ATOM 763 OD1 ASN A 49 5.826 20.262 -4.237 1.00 0.00 O ATOM 764 ND2 ASN A 49 7.374 18.638 -4.038 1.00 0.00 N ATOM 0 H ASN A 49 4.274 18.176 -3.449 1.00 0.00 H new ATOM 0 HA ASN A 49 3.790 19.471 -5.804 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.823 17.232 -5.393 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.924 18.519 -6.577 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.912 19.155 -3.342 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.686 17.716 -4.342 1.00 0.00 H new ATOM 771 N ASP A 50 3.670 16.164 -6.173 1.00 0.00 N ATOM 772 CA ASP A 50 3.133 15.087 -6.988 1.00 0.00 C ATOM 773 C ASP A 50 2.189 14.234 -6.139 1.00 0.00 C ATOM 774 O ASP A 50 2.606 13.643 -5.144 1.00 0.00 O ATOM 775 CB ASP A 50 4.250 14.181 -7.508 1.00 0.00 C ATOM 776 CG ASP A 50 3.792 13.064 -8.448 1.00 0.00 C ATOM 777 OD1 ASP A 50 3.724 13.338 -9.665 1.00 0.00 O ATOM 778 OD2 ASP A 50 3.520 11.960 -7.927 1.00 0.00 O ATOM 0 H ASP A 50 4.242 15.858 -5.385 1.00 0.00 H new ATOM 0 HA ASP A 50 2.607 15.532 -7.833 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.983 14.796 -8.029 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.759 13.732 -6.655 1.00 0.00 H new ATOM 783 N PRO A 51 0.901 14.195 -6.575 1.00 0.00 N ATOM 784 CA PRO A 51 -0.106 13.423 -5.866 1.00 0.00 C ATOM 785 C PRO A 51 0.065 11.926 -6.130 1.00 0.00 C ATOM 786 O PRO A 51 -0.482 11.098 -5.403 1.00 0.00 O ATOM 787 CB PRO A 51 -1.437 13.966 -6.361 1.00 0.00 C ATOM 788 CG PRO A 51 -1.134 14.692 -7.661 1.00 0.00 C ATOM 789 CD PRO A 51 0.372 14.882 -7.749 1.00 0.00 C ATOM 0 HA PRO A 51 -0.028 13.522 -4.783 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.152 13.159 -6.522 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.879 14.643 -5.630 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.497 14.117 -8.513 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.643 15.656 -7.687 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.772 14.457 -8.670 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.639 15.939 -7.743 1.00 0.00 H new ATOM 797 N SER A 52 0.826 11.624 -7.172 1.00 0.00 N ATOM 798 CA SER A 52 1.075 10.241 -7.541 1.00 0.00 C ATOM 799 C SER A 52 2.175 9.654 -6.655 1.00 0.00 C ATOM 800 O SER A 52 2.355 8.438 -6.606 1.00 0.00 O ATOM 801 CB SER A 52 1.463 10.126 -9.016 1.00 0.00 C ATOM 802 OG SER A 52 0.607 10.896 -9.855 1.00 0.00 O ATOM 0 H SER A 52 1.278 12.314 -7.772 1.00 0.00 H new ATOM 0 HA SER A 52 0.155 9.675 -7.391 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.493 10.458 -9.147 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.424 9.080 -9.321 1.00 0.00 H new ATOM 0 HG SER A 52 0.889 10.797 -10.788 1.00 0.00 H new ATOM 808 N PHE A 53 2.883 10.545 -5.976 1.00 0.00 N ATOM 809 CA PHE A 53 3.961 10.130 -5.094 1.00 0.00 C ATOM 810 C PHE A 53 3.613 10.412 -3.632 1.00 0.00 C ATOM 811 O PHE A 53 2.554 10.966 -3.338 1.00 0.00 O ATOM 812 CB PHE A 53 5.194 10.949 -5.480 1.00 0.00 C ATOM 813 CG PHE A 53 6.183 10.200 -6.376 1.00 0.00 C ATOM 814 CD1 PHE A 53 7.004 9.256 -5.844 1.00 0.00 C ATOM 815 CD2 PHE A 53 6.241 10.480 -7.706 1.00 0.00 C ATOM 816 CE1 PHE A 53 7.921 8.562 -6.676 1.00 0.00 C ATOM 817 CE2 PHE A 53 7.159 9.786 -8.538 1.00 0.00 C ATOM 818 CZ PHE A 53 7.980 8.841 -8.005 1.00 0.00 C ATOM 0 H PHE A 53 2.731 11.553 -6.019 1.00 0.00 H new ATOM 0 HA PHE A 53 4.135 9.059 -5.197 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.870 11.855 -5.992 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.708 11.263 -4.572 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.958 9.034 -4.788 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.589 11.230 -8.129 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.572 7.812 -6.253 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.205 10.008 -9.594 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.678 8.313 -8.637 1.00 0.00 H new ATOM 828 N PHE A 54 4.523 10.019 -2.753 1.00 0.00 N ATOM 829 CA PHE A 54 4.325 10.222 -1.328 1.00 0.00 C ATOM 830 C PHE A 54 5.655 10.149 -0.574 1.00 0.00 C ATOM 831 O PHE A 54 6.579 9.460 -1.003 1.00 0.00 O ATOM 832 CB PHE A 54 3.412 9.097 -0.838 1.00 0.00 C ATOM 833 CG PHE A 54 3.910 7.694 -1.188 1.00 0.00 C ATOM 834 CD1 PHE A 54 4.993 7.178 -0.548 1.00 0.00 C ATOM 835 CD2 PHE A 54 3.270 6.963 -2.139 1.00 0.00 C ATOM 836 CE1 PHE A 54 5.456 5.875 -0.873 1.00 0.00 C ATOM 837 CE2 PHE A 54 3.732 5.660 -2.464 1.00 0.00 C ATOM 838 CZ PHE A 54 4.816 5.144 -1.824 1.00 0.00 C ATOM 0 H PHE A 54 5.400 9.561 -3.000 1.00 0.00 H new ATOM 0 HA PHE A 54 3.890 11.205 -1.149 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.306 9.174 0.244 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.419 9.236 -1.266 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.501 7.759 0.207 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.410 7.373 -2.647 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.316 5.465 -0.365 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.223 5.079 -3.219 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.168 4.153 -2.071 1.00 0.00 H new ATOM 848 N ASN A 55 5.709 10.869 0.537 1.00 0.00 N ATOM 849 CA ASN A 55 6.910 10.894 1.354 1.00 0.00 C ATOM 850 C ASN A 55 7.096 9.530 2.020 1.00 0.00 C ATOM 851 O ASN A 55 6.125 8.817 2.268 1.00 0.00 O ATOM 852 CB ASN A 55 6.802 11.948 2.458 1.00 0.00 C ATOM 853 CG ASN A 55 6.895 13.361 1.878 1.00 0.00 C ATOM 854 OD1 ASN A 55 7.946 13.823 1.466 1.00 0.00 O ATOM 855 ND2 ASN A 55 5.739 14.019 1.869 1.00 0.00 N ATOM 0 H ASN A 55 4.941 11.439 0.890 1.00 0.00 H new ATOM 0 HA ASN A 55 7.754 11.134 0.707 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.857 11.830 2.987 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.597 11.798 3.188 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.696 14.970 1.502 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.895 13.573 2.229 1.00 0.00 H new ATOM 862 N CYS A 56 8.352 9.206 2.292 1.00 0.00 N ATOM 863 CA CYS A 56 8.679 7.940 2.924 1.00 0.00 C ATOM 864 C CYS A 56 8.726 8.157 4.438 1.00 0.00 C ATOM 865 O CYS A 56 8.580 9.282 4.912 1.00 0.00 O ATOM 866 CB CYS A 56 9.991 7.362 2.389 1.00 0.00 C ATOM 867 SG CYS A 56 11.402 8.372 2.969 1.00 0.00 S ATOM 0 H CYS A 56 9.156 9.799 2.086 1.00 0.00 H new ATOM 0 HA CYS A 56 7.911 7.204 2.687 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.108 6.332 2.725 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.971 7.341 1.299 1.00 0.00 H new ATOM 0 HG CYS A 56 11.442 9.486 2.300 1.00 0.00 H new ATOM 873 N ASP A 57 8.931 7.061 5.155 1.00 0.00 N ATOM 874 CA ASP A 57 8.999 7.117 6.605 1.00 0.00 C ATOM 875 C ASP A 57 10.052 6.123 7.100 1.00 0.00 C ATOM 876 O ASP A 57 10.719 5.470 6.300 1.00 0.00 O ATOM 877 CB ASP A 57 7.658 6.739 7.235 1.00 0.00 C ATOM 878 CG ASP A 57 6.762 5.854 6.365 1.00 0.00 C ATOM 879 OD1 ASP A 57 6.436 6.304 5.245 1.00 0.00 O ATOM 880 OD2 ASP A 57 6.423 4.749 6.839 1.00 0.00 O ATOM 0 H ASP A 57 9.052 6.129 4.758 1.00 0.00 H new ATOM 0 HA ASP A 57 9.256 8.137 6.891 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.848 6.224 8.176 1.00 0.00 H new ATOM 0 HB3 ASP A 57 7.116 7.654 7.476 1.00 0.00 H new ATOM 885 N ALA A 58 10.167 6.041 8.418 1.00 0.00 N ATOM 886 CA ALA A 58 11.127 5.137 9.030 1.00 0.00 C ATOM 887 C ALA A 58 10.573 3.711 8.994 1.00 0.00 C ATOM 888 O ALA A 58 11.225 2.777 9.458 1.00 0.00 O ATOM 889 CB ALA A 58 11.435 5.607 10.453 1.00 0.00 C ATOM 0 H ALA A 58 9.612 6.585 9.078 1.00 0.00 H new ATOM 0 HA ALA A 58 12.065 5.140 8.475 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.155 4.929 10.912 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.853 6.613 10.421 1.00 0.00 H new ATOM 0 HB3 ALA A 58 10.517 5.614 11.041 1.00 0.00 H new ATOM 895 N ALA A 59 9.377 3.589 8.438 1.00 0.00 N ATOM 896 CA ALA A 59 8.728 2.293 8.336 1.00 0.00 C ATOM 897 C ALA A 59 8.619 1.897 6.862 1.00 0.00 C ATOM 898 O ALA A 59 8.780 0.728 6.516 1.00 0.00 O ATOM 899 CB ALA A 59 7.365 2.348 9.027 1.00 0.00 C ATOM 0 H ALA A 59 8.840 4.366 8.053 1.00 0.00 H new ATOM 0 HA ALA A 59 9.318 1.528 8.841 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.879 1.376 8.950 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.500 2.604 10.078 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.744 3.103 8.546 1.00 0.00 H new ATOM 905 N LEU A 60 8.346 2.894 6.033 1.00 0.00 N ATOM 906 CA LEU A 60 8.213 2.665 4.605 1.00 0.00 C ATOM 907 C LEU A 60 9.598 2.429 3.999 1.00 0.00 C ATOM 908 O LEU A 60 9.751 1.616 3.089 1.00 0.00 O ATOM 909 CB LEU A 60 7.442 3.811 3.947 1.00 0.00 C ATOM 910 CG LEU A 60 5.916 3.715 4.007 1.00 0.00 C ATOM 911 CD1 LEU A 60 5.263 4.896 3.287 1.00 0.00 C ATOM 912 CD2 LEU A 60 5.430 2.371 3.461 1.00 0.00 C ATOM 0 H LEU A 60 8.213 3.863 6.324 1.00 0.00 H new ATOM 0 HA LEU A 60 7.625 1.767 4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.746 4.745 4.419 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.742 3.870 2.901 1.00 0.00 H new ATOM 0 HG LEU A 60 5.611 3.768 5.052 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.179 4.803 3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.573 5.827 3.761 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.572 4.900 2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.342 2.328 3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.746 2.264 2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.855 1.562 4.055 1.00 0.00 H new ATOM 924 N GLN A 61 10.572 3.154 4.529 1.00 0.00 N ATOM 925 CA GLN A 61 11.939 3.034 4.053 1.00 0.00 C ATOM 926 C GLN A 61 12.438 1.598 4.229 1.00 0.00 C ATOM 927 O GLN A 61 12.906 0.979 3.275 1.00 0.00 O ATOM 928 CB GLN A 61 12.858 4.025 4.769 1.00 0.00 C ATOM 929 CG GLN A 61 13.002 5.319 3.965 1.00 0.00 C ATOM 930 CD GLN A 61 14.389 5.934 4.159 1.00 0.00 C ATOM 931 OE1 GLN A 61 15.214 5.445 4.914 1.00 0.00 O ATOM 932 NE2 GLN A 61 14.600 7.032 3.438 1.00 0.00 N ATOM 0 H GLN A 61 10.441 3.827 5.284 1.00 0.00 H new ATOM 0 HA GLN A 61 11.956 3.276 2.990 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.457 4.250 5.757 1.00 0.00 H new ATOM 0 HB3 GLN A 61 13.839 3.574 4.918 1.00 0.00 H new ATOM 0 HG2 GLN A 61 12.836 5.114 2.907 1.00 0.00 H new ATOM 0 HG3 GLN A 61 12.238 6.031 4.276 1.00 0.00 H new ATOM 0 HE21 GLN A 61 13.867 7.389 2.825 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.495 7.517 3.498 1.00 0.00 H new ATOM 941 N LYS A 62 12.321 1.111 5.455 1.00 0.00 N ATOM 942 CA LYS A 62 12.754 -0.240 5.768 1.00 0.00 C ATOM 943 C LYS A 62 12.229 -1.200 4.699 1.00 0.00 C ATOM 944 O LYS A 62 12.813 -2.258 4.468 1.00 0.00 O ATOM 945 CB LYS A 62 12.341 -0.620 7.191 1.00 0.00 C ATOM 946 CG LYS A 62 13.483 -0.371 8.179 1.00 0.00 C ATOM 947 CD LYS A 62 13.609 -1.526 9.174 1.00 0.00 C ATOM 948 CE LYS A 62 14.766 -2.453 8.794 1.00 0.00 C ATOM 949 NZ LYS A 62 14.468 -3.163 7.530 1.00 0.00 N ATOM 0 H LYS A 62 11.932 1.628 6.244 1.00 0.00 H new ATOM 0 HA LYS A 62 13.842 -0.304 5.749 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.467 -0.040 7.487 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.052 -1.671 7.221 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.420 -0.251 7.635 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.306 0.560 8.718 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.769 -1.131 10.177 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.678 -2.092 9.199 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.683 -1.874 8.685 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.938 -3.175 9.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.240 -3.825 7.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.577 -3.691 7.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.377 -2.473 6.757 1.00 0.00 H new ATOM 963 N VAL A 63 11.132 -0.797 4.074 1.00 0.00 N ATOM 964 CA VAL A 63 10.522 -1.608 3.034 1.00 0.00 C ATOM 965 C VAL A 63 11.131 -1.238 1.681 1.00 0.00 C ATOM 966 O VAL A 63 11.890 -2.015 1.104 1.00 0.00 O ATOM 967 CB VAL A 63 9.001 -1.446 3.070 1.00 0.00 C ATOM 968 CG1 VAL A 63 8.346 -2.160 1.886 1.00 0.00 C ATOM 969 CG2 VAL A 63 8.427 -1.945 4.397 1.00 0.00 C ATOM 0 H VAL A 63 10.650 0.081 4.268 1.00 0.00 H new ATOM 0 HA VAL A 63 10.727 -2.665 3.204 1.00 0.00 H new ATOM 0 HB VAL A 63 8.775 -0.383 2.987 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.265 -2.029 1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.721 -1.737 0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.585 -3.223 1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.344 -1.818 4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.669 -3.000 4.524 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.858 -1.373 5.218 1.00 0.00 H new ATOM 979 N PHE A 64 10.776 -0.050 1.213 1.00 0.00 N ATOM 980 CA PHE A 64 11.279 0.433 -0.062 1.00 0.00 C ATOM 981 C PHE A 64 12.754 0.823 0.042 1.00 0.00 C ATOM 982 O PHE A 64 13.612 0.192 -0.574 1.00 0.00 O ATOM 983 CB PHE A 64 10.460 1.673 -0.425 1.00 0.00 C ATOM 984 CG PHE A 64 8.954 1.420 -0.519 1.00 0.00 C ATOM 985 CD1 PHE A 64 8.473 0.503 -1.401 1.00 0.00 C ATOM 986 CD2 PHE A 64 8.097 2.111 0.279 1.00 0.00 C ATOM 987 CE1 PHE A 64 7.075 0.267 -1.488 1.00 0.00 C ATOM 988 CE2 PHE A 64 6.699 1.875 0.192 1.00 0.00 C ATOM 989 CZ PHE A 64 6.218 0.958 -0.690 1.00 0.00 C ATOM 0 H PHE A 64 10.146 0.592 1.694 1.00 0.00 H new ATOM 0 HA PHE A 64 11.191 -0.349 -0.817 1.00 0.00 H new ATOM 0 HB2 PHE A 64 10.642 2.447 0.321 1.00 0.00 H new ATOM 0 HB3 PHE A 64 10.813 2.062 -1.380 1.00 0.00 H new ATOM 0 HD1 PHE A 64 9.154 -0.046 -2.035 1.00 0.00 H new ATOM 0 HD2 PHE A 64 8.479 2.839 0.979 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.693 -0.461 -2.188 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.018 2.424 0.826 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.155 0.779 -0.756 1.00 0.00 H new ATOM 999 N GLY A 65 13.005 1.861 0.826 1.00 0.00 N ATOM 1000 CA GLY A 65 14.362 2.342 1.019 1.00 0.00 C ATOM 1001 C GLY A 65 14.615 3.611 0.202 1.00 0.00 C ATOM 1002 O GLY A 65 15.764 3.999 -0.010 1.00 0.00 O ATOM 0 H GLY A 65 12.291 2.382 1.335 1.00 0.00 H new ATOM 0 HA2 GLY A 65 14.533 2.546 2.076 1.00 0.00 H new ATOM 0 HA3 GLY A 65 15.071 1.568 0.725 1.00 0.00 H new ATOM 1006 N GLU A 66 13.524 4.222 -0.236 1.00 0.00 N ATOM 1007 CA GLU A 66 13.614 5.438 -1.025 1.00 0.00 C ATOM 1008 C GLU A 66 12.968 6.606 -0.276 1.00 0.00 C ATOM 1009 O GLU A 66 12.208 6.398 0.668 1.00 0.00 O ATOM 1010 CB GLU A 66 12.972 5.248 -2.401 1.00 0.00 C ATOM 1011 CG GLU A 66 13.952 4.595 -3.377 1.00 0.00 C ATOM 1012 CD GLU A 66 15.263 5.382 -3.447 1.00 0.00 C ATOM 1013 OE1 GLU A 66 15.198 6.555 -3.874 1.00 0.00 O ATOM 1014 OE2 GLU A 66 16.299 4.792 -3.073 1.00 0.00 O ATOM 0 H GLU A 66 12.573 3.897 -0.059 1.00 0.00 H new ATOM 0 HA GLU A 66 14.668 5.669 -1.181 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.079 4.629 -2.308 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.651 6.213 -2.793 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.155 3.571 -3.064 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.502 4.542 -4.368 1.00 0.00 H new ATOM 1021 N GLU A 67 13.295 7.809 -0.725 1.00 0.00 N ATOM 1022 CA GLU A 67 12.756 9.010 -0.110 1.00 0.00 C ATOM 1023 C GLU A 67 11.248 9.099 -0.352 1.00 0.00 C ATOM 1024 O GLU A 67 10.493 9.472 0.545 1.00 0.00 O ATOM 1025 CB GLU A 67 13.470 10.259 -0.628 1.00 0.00 C ATOM 1026 CG GLU A 67 13.307 10.395 -2.143 1.00 0.00 C ATOM 1027 CD GLU A 67 13.943 11.692 -2.649 1.00 0.00 C ATOM 1028 OE1 GLU A 67 15.186 11.787 -2.557 1.00 0.00 O ATOM 1029 OE2 GLU A 67 13.172 12.558 -3.116 1.00 0.00 O ATOM 0 H GLU A 67 13.927 7.978 -1.508 1.00 0.00 H new ATOM 0 HA GLU A 67 12.929 8.953 0.965 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.067 11.143 -0.134 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.529 10.208 -0.376 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.768 9.542 -2.640 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.248 10.380 -2.401 1.00 0.00 H new ATOM 1036 N LYS A 68 10.854 8.751 -1.568 1.00 0.00 N ATOM 1037 CA LYS A 68 9.450 8.788 -1.939 1.00 0.00 C ATOM 1038 C LYS A 68 9.178 7.717 -2.998 1.00 0.00 C ATOM 1039 O LYS A 68 10.102 7.243 -3.657 1.00 0.00 O ATOM 1040 CB LYS A 68 9.047 10.198 -2.374 1.00 0.00 C ATOM 1041 CG LYS A 68 9.761 10.598 -3.667 1.00 0.00 C ATOM 1042 CD LYS A 68 8.882 11.517 -4.518 1.00 0.00 C ATOM 1043 CE LYS A 68 9.210 11.368 -6.005 1.00 0.00 C ATOM 1044 NZ LYS A 68 10.111 12.456 -6.448 1.00 0.00 N ATOM 0 H LYS A 68 11.483 8.442 -2.309 1.00 0.00 H new ATOM 0 HA LYS A 68 8.823 8.553 -1.079 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.968 10.242 -2.522 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.290 10.909 -1.585 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.697 11.103 -3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.017 9.705 -4.236 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.832 11.281 -4.348 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.029 12.553 -4.212 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.681 10.402 -6.185 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.291 11.388 -6.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.324 12.340 -7.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.648 13.374 -6.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.995 12.419 -5.902 1.00 0.00 H new ATOM 1058 N LEU A 69 7.907 7.367 -3.127 1.00 0.00 N ATOM 1059 CA LEU A 69 7.503 6.361 -4.094 1.00 0.00 C ATOM 1060 C LEU A 69 6.137 6.736 -4.673 1.00 0.00 C ATOM 1061 O LEU A 69 5.440 7.590 -4.126 1.00 0.00 O ATOM 1062 CB LEU A 69 7.541 4.967 -3.465 1.00 0.00 C ATOM 1063 CG LEU A 69 8.469 3.953 -4.137 1.00 0.00 C ATOM 1064 CD1 LEU A 69 9.384 3.282 -3.111 1.00 0.00 C ATOM 1065 CD2 LEU A 69 7.668 2.930 -4.946 1.00 0.00 C ATOM 0 H LEU A 69 7.144 7.762 -2.578 1.00 0.00 H new ATOM 0 HA LEU A 69 8.206 6.330 -4.927 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.841 5.069 -2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.529 4.561 -3.468 1.00 0.00 H new ATOM 0 HG LEU A 69 9.110 4.488 -4.838 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.033 2.566 -3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.993 4.039 -2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.779 2.762 -2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.351 2.221 -5.414 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.987 2.395 -4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.095 3.444 -5.717 1.00 0.00 H new ATOM 1077 N LYS A 70 5.796 6.081 -5.773 1.00 0.00 N ATOM 1078 CA LYS A 70 4.526 6.335 -6.432 1.00 0.00 C ATOM 1079 C LYS A 70 3.438 5.480 -5.780 1.00 0.00 C ATOM 1080 O LYS A 70 3.721 4.406 -5.251 1.00 0.00 O ATOM 1081 CB LYS A 70 4.654 6.122 -7.941 1.00 0.00 C ATOM 1082 CG LYS A 70 5.905 6.811 -8.489 1.00 0.00 C ATOM 1083 CD LYS A 70 6.140 6.440 -9.954 1.00 0.00 C ATOM 1084 CE LYS A 70 6.068 7.677 -10.852 1.00 0.00 C ATOM 1085 NZ LYS A 70 5.708 7.293 -12.235 1.00 0.00 N ATOM 0 H LYS A 70 6.377 5.375 -6.225 1.00 0.00 H new ATOM 0 HA LYS A 70 4.232 7.377 -6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.698 5.055 -8.159 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.769 6.514 -8.443 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.799 7.892 -8.397 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.772 6.524 -7.894 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.115 5.965 -10.061 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.394 5.711 -10.272 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.330 8.377 -10.459 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.029 8.192 -10.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.663 8.144 -12.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.426 6.643 -12.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.781 6.822 -12.234 1.00 0.00 H new ATOM 1099 N PHE A 71 2.216 5.988 -5.839 1.00 0.00 N ATOM 1100 CA PHE A 71 1.083 5.284 -5.262 1.00 0.00 C ATOM 1101 C PHE A 71 0.721 4.052 -6.093 1.00 0.00 C ATOM 1102 O PHE A 71 0.023 3.159 -5.615 1.00 0.00 O ATOM 1103 CB PHE A 71 -0.099 6.256 -5.269 1.00 0.00 C ATOM 1104 CG PHE A 71 -0.188 7.136 -4.021 1.00 0.00 C ATOM 1105 CD1 PHE A 71 -0.267 6.564 -2.789 1.00 0.00 C ATOM 1106 CD2 PHE A 71 -0.189 8.491 -4.143 1.00 0.00 C ATOM 1107 CE1 PHE A 71 -0.350 7.382 -1.631 1.00 0.00 C ATOM 1108 CE2 PHE A 71 -0.272 9.308 -2.985 1.00 0.00 C ATOM 1109 CZ PHE A 71 -0.351 8.736 -1.753 1.00 0.00 C ATOM 0 H PHE A 71 1.985 6.879 -6.278 1.00 0.00 H new ATOM 0 HA PHE A 71 1.328 4.949 -4.254 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -0.024 6.896 -6.148 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.024 5.687 -5.367 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.267 5.488 -2.692 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -0.127 8.945 -5.121 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.412 6.928 -0.653 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -0.272 10.384 -3.082 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.414 9.358 -0.872 1.00 0.00 H new ATOM 1119 N THR A 72 1.211 4.044 -7.324 1.00 0.00 N ATOM 1120 CA THR A 72 0.947 2.937 -8.227 1.00 0.00 C ATOM 1121 C THR A 72 2.104 1.936 -8.196 1.00 0.00 C ATOM 1122 O THR A 72 1.887 0.727 -8.266 1.00 0.00 O ATOM 1123 CB THR A 72 0.681 3.514 -9.619 1.00 0.00 C ATOM 1124 OG1 THR A 72 1.980 3.807 -10.127 1.00 0.00 O ATOM 1125 CG2 THR A 72 -0.014 4.876 -9.564 1.00 0.00 C ATOM 0 H THR A 72 1.789 4.787 -7.717 1.00 0.00 H new ATOM 0 HA THR A 72 0.065 2.377 -7.918 1.00 0.00 H new ATOM 0 HB THR A 72 0.069 2.817 -10.191 1.00 0.00 H new ATOM 0 HG1 THR A 72 1.901 4.184 -11.028 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.180 5.241 -10.578 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.972 4.775 -9.053 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.614 5.583 -9.022 1.00 0.00 H new ATOM 1133 N MET A 73 3.310 2.476 -8.090 1.00 0.00 N ATOM 1134 CA MET A 73 4.501 1.646 -8.049 1.00 0.00 C ATOM 1135 C MET A 73 4.518 0.773 -6.792 1.00 0.00 C ATOM 1136 O MET A 73 5.182 -0.262 -6.759 1.00 0.00 O ATOM 1137 CB MET A 73 5.745 2.536 -8.068 1.00 0.00 C ATOM 1138 CG MET A 73 5.831 3.330 -9.373 1.00 0.00 C ATOM 1139 SD MET A 73 6.444 2.286 -10.684 1.00 0.00 S ATOM 1140 CE MET A 73 8.192 2.624 -10.558 1.00 0.00 C ATOM 0 H MET A 73 3.487 3.479 -8.031 1.00 0.00 H new ATOM 0 HA MET A 73 4.496 0.994 -8.922 1.00 0.00 H new ATOM 0 HB2 MET A 73 5.718 3.222 -7.222 1.00 0.00 H new ATOM 0 HB3 MET A 73 6.638 1.922 -7.952 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.848 3.719 -9.637 1.00 0.00 H new ATOM 0 HG3 MET A 73 6.489 4.189 -9.243 1.00 0.00 H new ATOM 0 HE1 MET A 73 8.729 2.048 -11.312 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.370 3.687 -10.719 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.546 2.343 -9.566 1.00 0.00 H new ATOM 1150 N VAL A 74 3.779 1.223 -5.788 1.00 0.00 N ATOM 1151 CA VAL A 74 3.700 0.495 -4.533 1.00 0.00 C ATOM 1152 C VAL A 74 3.557 -1.000 -4.823 1.00 0.00 C ATOM 1153 O VAL A 74 4.161 -1.828 -4.143 1.00 0.00 O ATOM 1154 CB VAL A 74 2.559 1.051 -3.677 1.00 0.00 C ATOM 1155 CG1 VAL A 74 2.184 0.072 -2.562 1.00 0.00 C ATOM 1156 CG2 VAL A 74 2.921 2.422 -3.105 1.00 0.00 C ATOM 0 H VAL A 74 3.230 2.082 -5.818 1.00 0.00 H new ATOM 0 HA VAL A 74 4.615 0.627 -3.956 1.00 0.00 H new ATOM 0 HB VAL A 74 1.688 1.177 -4.320 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.371 0.491 -1.968 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.864 -0.873 -3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.050 -0.100 -1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.093 2.794 -2.501 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.812 2.333 -2.484 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.116 3.117 -3.922 1.00 0.00 H new ATOM 1166 N SER A 75 2.753 -1.300 -5.833 1.00 0.00 N ATOM 1167 CA SER A 75 2.523 -2.681 -6.221 1.00 0.00 C ATOM 1168 C SER A 75 3.800 -3.277 -6.818 1.00 0.00 C ATOM 1169 O SER A 75 4.149 -4.421 -6.530 1.00 0.00 O ATOM 1170 CB SER A 75 1.370 -2.788 -7.220 1.00 0.00 C ATOM 1171 OG SER A 75 1.066 -4.142 -7.543 1.00 0.00 O ATOM 0 H SER A 75 2.253 -0.610 -6.394 1.00 0.00 H new ATOM 0 HA SER A 75 2.249 -3.245 -5.330 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.485 -2.307 -6.804 1.00 0.00 H new ATOM 0 HB3 SER A 75 1.628 -2.247 -8.131 1.00 0.00 H new ATOM 0 HG SER A 75 0.715 -4.189 -8.457 1.00 0.00 H new ATOM 1177 N GLN A 76 4.461 -2.474 -7.638 1.00 0.00 N ATOM 1178 CA GLN A 76 5.692 -2.908 -8.279 1.00 0.00 C ATOM 1179 C GLN A 76 6.806 -3.056 -7.241 1.00 0.00 C ATOM 1180 O GLN A 76 7.894 -3.535 -7.558 1.00 0.00 O ATOM 1181 CB GLN A 76 6.102 -1.939 -9.390 1.00 0.00 C ATOM 1182 CG GLN A 76 7.168 -0.959 -8.897 1.00 0.00 C ATOM 1183 CD GLN A 76 8.574 -1.526 -9.108 1.00 0.00 C ATOM 1184 OE1 GLN A 76 8.775 -2.521 -9.785 1.00 0.00 O ATOM 1185 NE2 GLN A 76 9.532 -0.838 -8.494 1.00 0.00 N ATOM 0 H GLN A 76 4.168 -1.526 -7.874 1.00 0.00 H new ATOM 0 HA GLN A 76 5.518 -3.881 -8.737 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.485 -2.499 -10.243 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.228 -1.387 -9.737 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.070 -0.012 -9.428 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.012 -0.748 -7.839 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.294 -0.014 -7.943 1.00 0.00 H new ATOM 0 HE22 GLN A 76 10.505 -1.135 -8.575 1.00 0.00 H new ATOM 1194 N LYS A 77 6.497 -2.636 -6.023 1.00 0.00 N ATOM 1195 CA LYS A 77 7.459 -2.716 -4.937 1.00 0.00 C ATOM 1196 C LYS A 77 6.966 -3.726 -3.899 1.00 0.00 C ATOM 1197 O LYS A 77 7.539 -4.805 -3.757 1.00 0.00 O ATOM 1198 CB LYS A 77 7.734 -1.325 -4.361 1.00 0.00 C ATOM 1199 CG LYS A 77 8.570 -0.486 -5.329 1.00 0.00 C ATOM 1200 CD LYS A 77 10.053 -0.533 -4.955 1.00 0.00 C ATOM 1201 CE LYS A 77 10.791 0.698 -5.486 1.00 0.00 C ATOM 1202 NZ LYS A 77 12.156 0.333 -5.927 1.00 0.00 N ATOM 0 H LYS A 77 5.594 -2.239 -5.764 1.00 0.00 H new ATOM 0 HA LYS A 77 8.419 -3.079 -5.304 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.790 -0.819 -4.157 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.258 -1.419 -3.410 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.436 -0.856 -6.346 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.221 0.546 -5.316 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.157 -0.585 -3.871 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.506 -1.437 -5.362 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.237 1.131 -6.319 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.845 1.460 -4.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.643 1.179 -6.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.687 -0.059 -5.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.098 -0.378 -6.683 1.00 0.00 H new ATOM 1216 N ILE A 78 5.910 -3.339 -3.199 1.00 0.00 N ATOM 1217 CA ILE A 78 5.333 -4.197 -2.178 1.00 0.00 C ATOM 1218 C ILE A 78 5.337 -5.645 -2.672 1.00 0.00 C ATOM 1219 O ILE A 78 5.522 -6.573 -1.886 1.00 0.00 O ATOM 1220 CB ILE A 78 3.948 -3.690 -1.771 1.00 0.00 C ATOM 1221 CG1 ILE A 78 2.967 -3.778 -2.941 1.00 0.00 C ATOM 1222 CG2 ILE A 78 4.030 -2.274 -1.196 1.00 0.00 C ATOM 1223 CD1 ILE A 78 1.914 -4.860 -2.693 1.00 0.00 C ATOM 0 H ILE A 78 5.439 -2.442 -3.319 1.00 0.00 H new ATOM 0 HA ILE A 78 5.937 -4.168 -1.271 1.00 0.00 H new ATOM 0 HB ILE A 78 3.565 -4.336 -0.981 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.477 -2.815 -3.083 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.510 -3.998 -3.860 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.032 -1.937 -0.915 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.674 -2.275 -0.317 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.442 -1.600 -1.947 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.229 -4.902 -3.540 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.405 -5.826 -2.576 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.356 -4.624 -1.787 1.00 0.00 H new ATOM 1235 N SER A 79 5.132 -5.793 -3.973 1.00 0.00 N ATOM 1236 CA SER A 79 5.110 -7.112 -4.581 1.00 0.00 C ATOM 1237 C SER A 79 6.279 -7.949 -4.060 1.00 0.00 C ATOM 1238 O SER A 79 6.080 -9.047 -3.543 1.00 0.00 O ATOM 1239 CB SER A 79 5.165 -7.016 -6.107 1.00 0.00 C ATOM 1240 OG SER A 79 6.246 -6.200 -6.552 1.00 0.00 O ATOM 0 H SER A 79 4.980 -5.021 -4.622 1.00 0.00 H new ATOM 0 HA SER A 79 4.174 -7.598 -4.308 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.267 -8.015 -6.530 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.225 -6.607 -6.479 1.00 0.00 H new ATOM 0 HG SER A 79 5.903 -5.324 -6.826 1.00 0.00 H new ATOM 1246 N HIS A 80 7.475 -7.398 -4.213 1.00 0.00 N ATOM 1247 CA HIS A 80 8.676 -8.080 -3.764 1.00 0.00 C ATOM 1248 C HIS A 80 8.461 -8.621 -2.349 1.00 0.00 C ATOM 1249 O HIS A 80 9.037 -9.641 -1.976 1.00 0.00 O ATOM 1250 CB HIS A 80 9.894 -7.160 -3.868 1.00 0.00 C ATOM 1251 CG HIS A 80 10.863 -7.545 -4.961 1.00 0.00 C ATOM 1252 ND1 HIS A 80 11.821 -6.676 -5.454 1.00 0.00 N ATOM 1253 CD2 HIS A 80 11.012 -8.713 -5.649 1.00 0.00 C ATOM 1254 CE1 HIS A 80 12.509 -7.303 -6.397 1.00 0.00 C ATOM 1255 NE2 HIS A 80 12.006 -8.565 -6.517 1.00 0.00 N ATOM 0 H HIS A 80 7.637 -6.487 -4.642 1.00 0.00 H new ATOM 0 HA HIS A 80 8.879 -8.931 -4.414 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.552 -6.140 -4.042 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.420 -7.161 -2.913 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.422 -9.607 -5.511 1.00 0.00 H new ATOM 0 HE1 HIS A 80 13.325 -6.888 -6.970 1.00 0.00 H new ATOM 0 HE2 HIS A 80 12.339 -9.278 -7.166 1.00 0.00 H new ATOM 1263 N HIS A 81 7.630 -7.912 -1.599 1.00 0.00 N ATOM 1264 CA HIS A 81 7.331 -8.308 -0.234 1.00 0.00 C ATOM 1265 C HIS A 81 6.182 -9.318 -0.232 1.00 0.00 C ATOM 1266 O HIS A 81 6.163 -10.240 0.583 1.00 0.00 O ATOM 1267 CB HIS A 81 7.045 -7.083 0.637 1.00 0.00 C ATOM 1268 CG HIS A 81 8.222 -6.149 0.790 1.00 0.00 C ATOM 1269 ND1 HIS A 81 9.316 -6.447 1.582 1.00 0.00 N ATOM 1270 CD2 HIS A 81 8.464 -4.923 0.243 1.00 0.00 C ATOM 1271 CE1 HIS A 81 10.172 -5.438 1.510 1.00 0.00 C ATOM 1272 NE2 HIS A 81 9.641 -4.494 0.680 1.00 0.00 N ATOM 0 H HIS A 81 7.154 -7.065 -1.911 1.00 0.00 H new ATOM 0 HA HIS A 81 8.200 -8.798 0.204 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.210 -6.531 0.206 1.00 0.00 H new ATOM 0 HB3 HIS A 81 6.730 -7.418 1.625 1.00 0.00 H new ATOM 0 HD2 HIS A 81 7.809 -4.392 -0.431 1.00 0.00 H new ATOM 0 HE1 HIS A 81 11.123 -5.374 2.019 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.077 -3.605 0.436 1.00 0.00 H new ATOM 1280 N LEU A 82 5.253 -9.111 -1.153 1.00 0.00 N ATOM 1281 CA LEU A 82 4.104 -9.993 -1.268 1.00 0.00 C ATOM 1282 C LEU A 82 4.587 -11.438 -1.409 1.00 0.00 C ATOM 1283 O LEU A 82 5.144 -11.812 -2.439 1.00 0.00 O ATOM 1284 CB LEU A 82 3.190 -9.536 -2.407 1.00 0.00 C ATOM 1285 CG LEU A 82 2.701 -8.088 -2.335 1.00 0.00 C ATOM 1286 CD1 LEU A 82 1.789 -7.758 -3.518 1.00 0.00 C ATOM 1287 CD2 LEU A 82 2.024 -7.803 -0.993 1.00 0.00 C ATOM 0 H LEU A 82 5.272 -8.345 -1.827 1.00 0.00 H new ATOM 0 HA LEU A 82 3.496 -9.947 -0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.721 -9.673 -3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.320 -10.192 -2.433 1.00 0.00 H new ATOM 0 HG LEU A 82 3.568 -7.431 -2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.455 -6.723 -3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.338 -7.895 -4.450 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.923 -8.420 -3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.686 -6.767 -0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.168 -8.467 -0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.735 -7.972 -0.184 1.00 0.00 H new ATOM 1299 N SER A 83 4.356 -12.210 -0.357 1.00 0.00 N ATOM 1300 CA SER A 83 4.760 -13.606 -0.351 1.00 0.00 C ATOM 1301 C SER A 83 3.525 -14.508 -0.321 1.00 0.00 C ATOM 1302 O SER A 83 2.433 -14.060 0.024 1.00 0.00 O ATOM 1303 CB SER A 83 5.669 -13.910 0.842 1.00 0.00 C ATOM 1304 OG SER A 83 7.040 -13.986 0.462 1.00 0.00 O ATOM 0 H SER A 83 3.895 -11.896 0.497 1.00 0.00 H new ATOM 0 HA SER A 83 5.324 -13.804 -1.263 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.545 -13.136 1.599 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.366 -14.853 1.298 1.00 0.00 H new ATOM 0 HG SER A 83 7.588 -14.180 1.251 1.00 0.00 H new ATOM 1310 N PRO A 84 3.746 -15.797 -0.696 1.00 0.00 N ATOM 1311 CA PRO A 84 2.664 -16.766 -0.715 1.00 0.00 C ATOM 1312 C PRO A 84 2.296 -17.206 0.703 1.00 0.00 C ATOM 1313 O PRO A 84 3.145 -17.698 1.444 1.00 0.00 O ATOM 1314 CB PRO A 84 3.175 -17.909 -1.577 1.00 0.00 C ATOM 1315 CG PRO A 84 4.686 -17.752 -1.625 1.00 0.00 C ATOM 1316 CD PRO A 84 5.026 -16.363 -1.110 1.00 0.00 C ATOM 0 HA PRO A 84 1.741 -16.357 -1.125 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.896 -18.873 -1.152 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.746 -17.865 -2.578 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.169 -18.515 -1.014 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.051 -17.882 -2.644 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.726 -16.410 -0.276 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.495 -15.757 -1.885 1.00 0.00 H new ATOM 1324 N PRO A 85 0.995 -17.007 1.048 1.00 0.00 N ATOM 1325 CA PRO A 85 0.505 -17.377 2.364 1.00 0.00 C ATOM 1326 C PRO A 85 0.339 -18.894 2.481 1.00 0.00 C ATOM 1327 O PRO A 85 0.496 -19.617 1.499 1.00 0.00 O ATOM 1328 CB PRO A 85 -0.806 -16.623 2.522 1.00 0.00 C ATOM 1329 CG PRO A 85 -1.231 -16.228 1.117 1.00 0.00 C ATOM 1330 CD PRO A 85 -0.039 -16.426 0.196 1.00 0.00 C ATOM 0 HA PRO A 85 1.200 -17.113 3.161 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.562 -17.249 2.997 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -0.677 -15.744 3.153 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -2.073 -16.837 0.788 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -1.561 -15.189 1.096 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.286 -17.088 -0.634 1.00 0.00 H new ATOM 0 HD3 PRO A 85 0.289 -15.481 -0.236 1.00 0.00 H new