USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 535 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 Single : A 10 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.176) USER MOD Single : A 14 SER OG : rot 55:sc= 0.951 USER MOD Single : A 20 CYS SG : rot 82:sc= -2.05! USER MOD Single : A 21 SER OG : rot -119:sc= 1.18 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -115:sc= 0 (180deg=-0.0135) USER MOD Single : A 28 LYS NZ :NH3+ -153:sc= -0.0121 (180deg=-0.455) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -0.0298 K(o=-0.03,f=-3.2!) USER MOD Single : A 35 SER OG : rot 180:sc=0.000405 USER MOD Single : A 39 THR OG1 : rot 69:sc= -1.35 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1.66 K(o=-1.7,f=-4.9!) USER MOD Single : A 51 SER OG : rot 180:sc= 0.306 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 136 N PRO A 9 2.674 17.117 1.454 1.00 0.00 N ATOM 137 CA PRO A 9 2.499 15.657 1.252 1.00 0.00 C ATOM 138 C PRO A 9 1.107 15.216 1.717 1.00 0.00 C ATOM 139 O PRO A 9 0.705 15.479 2.834 1.00 0.00 O ATOM 140 CB PRO A 9 3.584 15.037 2.126 1.00 0.00 C ATOM 141 CG PRO A 9 3.862 16.054 3.186 1.00 0.00 C ATOM 142 CD PRO A 9 3.550 17.409 2.602 1.00 0.00 C ATOM 0 HA PRO A 9 2.580 15.358 0.207 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.249 14.096 2.562 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.480 14.818 1.545 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.250 15.866 4.068 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.904 16.003 3.503 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.052 18.051 3.329 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.457 17.926 2.289 1.00 0.00 H new ATOM 150 N LYS A 10 0.368 14.555 0.861 1.00 0.00 N ATOM 151 CA LYS A 10 -1.006 14.095 1.238 1.00 0.00 C ATOM 152 C LYS A 10 -0.956 13.208 2.490 1.00 0.00 C ATOM 153 O LYS A 10 0.061 13.104 3.148 1.00 0.00 O ATOM 154 CB LYS A 10 -1.514 13.297 0.030 1.00 0.00 C ATOM 155 CG LYS A 10 -0.583 12.106 -0.250 1.00 0.00 C ATOM 156 CD LYS A 10 0.167 12.327 -1.566 1.00 0.00 C ATOM 157 CE LYS A 10 0.614 10.977 -2.131 1.00 0.00 C ATOM 158 NZ LYS A 10 -0.593 10.424 -2.807 1.00 0.00 N ATOM 0 H LYS A 10 0.658 14.313 -0.087 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.662 14.933 1.475 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.526 12.940 0.221 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.564 13.943 -0.847 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.128 11.989 0.568 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.163 11.185 -0.303 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.476 12.838 -2.282 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.032 12.969 -1.400 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.440 11.097 -2.833 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.962 10.313 -1.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.675 9.409 -2.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.441 10.919 -2.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.507 10.558 -3.835 1.00 0.00 H new ATOM 172 N ARG A 11 -2.052 12.571 2.819 1.00 0.00 N ATOM 173 CA ARG A 11 -2.082 11.692 4.030 1.00 0.00 C ATOM 174 C ARG A 11 -1.189 10.458 3.820 1.00 0.00 C ATOM 175 O ARG A 11 -1.096 9.953 2.718 1.00 0.00 O ATOM 176 CB ARG A 11 -3.542 11.264 4.181 1.00 0.00 C ATOM 177 CG ARG A 11 -4.250 12.194 5.168 1.00 0.00 C ATOM 178 CD ARG A 11 -4.685 13.470 4.445 1.00 0.00 C ATOM 179 NE ARG A 11 -5.852 13.972 5.222 1.00 0.00 N ATOM 180 CZ ARG A 11 -5.675 14.835 6.184 1.00 0.00 C ATOM 181 NH1 ARG A 11 -4.992 14.499 7.244 1.00 0.00 N ATOM 182 NH2 ARG A 11 -6.181 16.034 6.087 1.00 0.00 N ATOM 0 H ARG A 11 -2.929 12.621 2.301 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.712 12.209 4.915 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.043 11.295 3.213 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.595 10.234 4.534 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.118 11.693 5.598 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.583 12.441 5.994 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.880 14.205 4.422 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.958 13.264 3.410 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.791 13.641 5.002 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.597 13.562 7.320 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.853 15.174 7.996 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.715 16.297 5.259 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.042 16.708 6.840 1.00 0.00 H new ATOM 196 N PRO A 12 -0.560 9.999 4.884 1.00 0.00 N ATOM 197 CA PRO A 12 0.313 8.808 4.776 1.00 0.00 C ATOM 198 C PRO A 12 -0.548 7.533 4.693 1.00 0.00 C ATOM 199 O PRO A 12 -1.431 7.346 5.506 1.00 0.00 O ATOM 200 CB PRO A 12 1.119 8.830 6.070 1.00 0.00 C ATOM 201 CG PRO A 12 0.277 9.586 7.046 1.00 0.00 C ATOM 202 CD PRO A 12 -0.597 10.530 6.258 1.00 0.00 C ATOM 0 HA PRO A 12 0.946 8.817 3.889 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.321 7.819 6.425 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.084 9.315 5.924 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.333 8.902 7.636 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.904 10.139 7.746 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.614 10.551 6.649 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.219 11.551 6.300 1.00 0.00 H new ATOM 210 N PRO A 13 -0.276 6.693 3.716 1.00 0.00 N ATOM 211 CA PRO A 13 -1.062 5.449 3.563 1.00 0.00 C ATOM 212 C PRO A 13 -0.541 4.367 4.514 1.00 0.00 C ATOM 213 O PRO A 13 0.316 4.617 5.340 1.00 0.00 O ATOM 214 CB PRO A 13 -0.831 5.056 2.110 1.00 0.00 C ATOM 215 CG PRO A 13 0.481 5.672 1.726 1.00 0.00 C ATOM 216 CD PRO A 13 0.761 6.811 2.679 1.00 0.00 C ATOM 0 HA PRO A 13 -2.118 5.577 3.800 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.802 3.972 1.997 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.636 5.421 1.473 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.278 4.930 1.774 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.445 6.035 0.699 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.760 6.733 3.107 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.706 7.774 2.172 1.00 0.00 H new ATOM 224 N SER A 14 -1.057 3.167 4.402 1.00 0.00 N ATOM 225 CA SER A 14 -0.598 2.065 5.299 1.00 0.00 C ATOM 226 C SER A 14 -0.978 0.701 4.712 1.00 0.00 C ATOM 227 O SER A 14 -1.703 -0.066 5.316 1.00 0.00 O ATOM 228 CB SER A 14 -1.328 2.306 6.621 1.00 0.00 C ATOM 229 OG SER A 14 -2.702 1.976 6.466 1.00 0.00 O ATOM 0 H SER A 14 -1.776 2.905 3.728 1.00 0.00 H new ATOM 0 HA SER A 14 0.485 2.059 5.424 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.884 1.700 7.411 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.224 3.348 6.922 1.00 0.00 H new ATOM 0 HG SER A 14 -2.783 1.055 6.140 1.00 0.00 H new ATOM 235 N ALA A 15 -0.500 0.392 3.526 1.00 0.00 N ATOM 236 CA ALA A 15 -0.827 -0.919 2.868 1.00 0.00 C ATOM 237 C ALA A 15 -2.314 -0.975 2.514 1.00 0.00 C ATOM 238 O ALA A 15 -2.681 -0.816 1.365 1.00 0.00 O ATOM 239 CB ALA A 15 -0.450 -2.030 3.864 1.00 0.00 C ATOM 0 H ALA A 15 0.110 1.000 2.979 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.272 -1.043 1.938 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.672 -3.003 3.425 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.614 -1.969 4.092 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.025 -1.906 4.782 1.00 0.00 H new ATOM 245 N PHE A 16 -3.175 -1.208 3.480 1.00 0.00 N ATOM 246 CA PHE A 16 -4.651 -1.284 3.196 1.00 0.00 C ATOM 247 C PHE A 16 -5.115 -0.104 2.334 1.00 0.00 C ATOM 248 O PHE A 16 -5.779 -0.283 1.329 1.00 0.00 O ATOM 249 CB PHE A 16 -5.313 -1.215 4.570 1.00 0.00 C ATOM 250 CG PHE A 16 -6.730 -1.732 4.478 1.00 0.00 C ATOM 251 CD1 PHE A 16 -7.698 -0.997 3.782 1.00 0.00 C ATOM 252 CD2 PHE A 16 -7.076 -2.942 5.089 1.00 0.00 C ATOM 253 CE1 PHE A 16 -9.011 -1.474 3.698 1.00 0.00 C ATOM 254 CE2 PHE A 16 -8.389 -3.419 5.004 1.00 0.00 C ATOM 255 CZ PHE A 16 -9.357 -2.685 4.308 1.00 0.00 C ATOM 0 H PHE A 16 -2.920 -1.350 4.457 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.907 -2.189 2.645 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.745 -1.807 5.288 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.313 -0.187 4.933 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.431 -0.063 3.310 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.330 -3.508 5.626 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.758 -0.907 3.162 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -8.656 -4.353 5.475 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.370 -3.053 4.242 1.00 0.00 H new ATOM 265 N PHE A 17 -4.762 1.096 2.719 1.00 0.00 N ATOM 266 CA PHE A 17 -5.174 2.295 1.924 1.00 0.00 C ATOM 267 C PHE A 17 -4.657 2.173 0.486 1.00 0.00 C ATOM 268 O PHE A 17 -5.309 2.584 -0.455 1.00 0.00 O ATOM 269 CB PHE A 17 -4.525 3.490 2.627 1.00 0.00 C ATOM 270 CG PHE A 17 -5.317 4.741 2.333 1.00 0.00 C ATOM 271 CD1 PHE A 17 -5.161 5.396 1.106 1.00 0.00 C ATOM 272 CD2 PHE A 17 -6.207 5.246 3.288 1.00 0.00 C ATOM 273 CE1 PHE A 17 -5.895 6.558 0.834 1.00 0.00 C ATOM 274 CE2 PHE A 17 -6.940 6.406 3.017 1.00 0.00 C ATOM 275 CZ PHE A 17 -6.784 7.063 1.789 1.00 0.00 C ATOM 0 H PHE A 17 -4.206 1.299 3.550 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.258 2.400 1.869 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.487 3.316 3.702 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.496 3.610 2.287 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.475 5.006 0.369 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.328 4.740 4.234 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.775 7.064 -0.113 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.626 6.795 3.754 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.350 7.959 1.580 1.00 0.00 H new ATOM 285 N LEU A 18 -3.485 1.613 0.315 1.00 0.00 N ATOM 286 CA LEU A 18 -2.909 1.463 -1.057 1.00 0.00 C ATOM 287 C LEU A 18 -3.683 0.402 -1.844 1.00 0.00 C ATOM 288 O LEU A 18 -3.882 0.527 -3.038 1.00 0.00 O ATOM 289 CB LEU A 18 -1.454 1.001 -0.859 1.00 0.00 C ATOM 290 CG LEU A 18 -0.695 1.933 0.103 1.00 0.00 C ATOM 291 CD1 LEU A 18 0.770 1.499 0.172 1.00 0.00 C ATOM 292 CD2 LEU A 18 -0.765 3.381 -0.400 1.00 0.00 C ATOM 0 H LEU A 18 -2.901 1.252 1.069 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.966 2.398 -1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.444 -0.016 -0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.944 0.976 -1.822 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.151 1.874 1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.312 2.156 0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.829 0.473 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.214 1.559 -0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.225 4.032 0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.313 3.445 -1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.807 3.697 -0.456 1.00 0.00 H new ATOM 304 N PHE A 19 -4.109 -0.646 -1.184 1.00 0.00 N ATOM 305 CA PHE A 19 -4.861 -1.730 -1.889 1.00 0.00 C ATOM 306 C PHE A 19 -6.299 -1.290 -2.168 1.00 0.00 C ATOM 307 O PHE A 19 -6.760 -1.336 -3.292 1.00 0.00 O ATOM 308 CB PHE A 19 -4.842 -2.917 -0.923 1.00 0.00 C ATOM 309 CG PHE A 19 -5.434 -4.131 -1.600 1.00 0.00 C ATOM 310 CD1 PHE A 19 -6.817 -4.347 -1.564 1.00 0.00 C ATOM 311 CD2 PHE A 19 -4.600 -5.041 -2.258 1.00 0.00 C ATOM 312 CE1 PHE A 19 -7.365 -5.473 -2.189 1.00 0.00 C ATOM 313 CE2 PHE A 19 -5.148 -6.168 -2.882 1.00 0.00 C ATOM 314 CZ PHE A 19 -6.531 -6.384 -2.848 1.00 0.00 C ATOM 0 H PHE A 19 -3.968 -0.798 -0.185 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.416 -1.978 -2.853 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.820 -3.126 -0.608 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.410 -2.676 -0.024 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.460 -3.645 -1.054 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.533 -4.874 -2.285 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.432 -5.639 -2.163 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.504 -6.871 -3.390 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.954 -7.253 -3.330 1.00 0.00 H new ATOM 324 N CYS A 20 -7.010 -0.872 -1.153 1.00 0.00 N ATOM 325 CA CYS A 20 -8.428 -0.434 -1.353 1.00 0.00 C ATOM 326 C CYS A 20 -8.501 0.711 -2.370 1.00 0.00 C ATOM 327 O CYS A 20 -9.255 0.656 -3.320 1.00 0.00 O ATOM 328 CB CYS A 20 -8.898 0.046 0.023 1.00 0.00 C ATOM 329 SG CYS A 20 -10.661 0.448 -0.047 1.00 0.00 S ATOM 0 H CYS A 20 -6.671 -0.814 -0.193 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.050 -1.241 -1.741 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.720 -0.728 0.770 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.326 0.922 0.329 1.00 0.00 H new ATOM 0 HG CYS A 20 -11.360 -0.642 0.075 1.00 0.00 H new ATOM 335 N SER A 21 -7.725 1.744 -2.172 1.00 0.00 N ATOM 336 CA SER A 21 -7.750 2.902 -3.121 1.00 0.00 C ATOM 337 C SER A 21 -7.423 2.450 -4.550 1.00 0.00 C ATOM 338 O SER A 21 -7.770 3.115 -5.508 1.00 0.00 O ATOM 339 CB SER A 21 -6.672 3.860 -2.611 1.00 0.00 C ATOM 340 OG SER A 21 -5.390 3.296 -2.853 1.00 0.00 O ATOM 0 H SER A 21 -7.073 1.838 -1.393 1.00 0.00 H new ATOM 0 HA SER A 21 -8.735 3.367 -3.159 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.759 4.824 -3.113 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.806 4.043 -1.545 1.00 0.00 H new ATOM 0 HG SER A 21 -4.921 3.173 -2.002 1.00 0.00 H new ATOM 346 N GLU A 22 -6.747 1.338 -4.701 1.00 0.00 N ATOM 347 CA GLU A 22 -6.386 0.860 -6.071 1.00 0.00 C ATOM 348 C GLU A 22 -7.301 -0.283 -6.525 1.00 0.00 C ATOM 349 O GLU A 22 -7.474 -0.508 -7.709 1.00 0.00 O ATOM 350 CB GLU A 22 -4.946 0.369 -5.946 1.00 0.00 C ATOM 351 CG GLU A 22 -3.988 1.561 -5.998 1.00 0.00 C ATOM 352 CD GLU A 22 -4.057 2.215 -7.379 1.00 0.00 C ATOM 353 OE1 GLU A 22 -3.652 1.576 -8.337 1.00 0.00 O ATOM 354 OE2 GLU A 22 -4.514 3.343 -7.457 1.00 0.00 O ATOM 0 H GLU A 22 -6.430 0.742 -3.936 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.497 1.650 -6.813 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.817 -0.173 -5.009 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.718 -0.328 -6.752 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.251 2.286 -5.228 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.970 1.231 -5.791 1.00 0.00 H new ATOM 361 N TYR A 23 -7.877 -1.013 -5.602 1.00 0.00 N ATOM 362 CA TYR A 23 -8.768 -2.151 -5.992 1.00 0.00 C ATOM 363 C TYR A 23 -10.237 -1.717 -6.069 1.00 0.00 C ATOM 364 O TYR A 23 -11.122 -2.546 -6.156 1.00 0.00 O ATOM 365 CB TYR A 23 -8.573 -3.199 -4.896 1.00 0.00 C ATOM 366 CG TYR A 23 -7.385 -4.066 -5.238 1.00 0.00 C ATOM 367 CD1 TYR A 23 -6.101 -3.512 -5.274 1.00 0.00 C ATOM 368 CD2 TYR A 23 -7.569 -5.426 -5.521 1.00 0.00 C ATOM 369 CE1 TYR A 23 -5.000 -4.316 -5.592 1.00 0.00 C ATOM 370 CE2 TYR A 23 -6.468 -6.230 -5.839 1.00 0.00 C ATOM 371 CZ TYR A 23 -5.183 -5.674 -5.876 1.00 0.00 C ATOM 372 OH TYR A 23 -4.098 -6.467 -6.189 1.00 0.00 O ATOM 0 H TYR A 23 -7.770 -0.871 -4.598 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.517 -2.533 -6.982 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.416 -2.711 -3.934 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -9.469 -3.812 -4.800 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.959 -2.464 -5.056 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.560 -5.854 -5.494 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.009 -3.888 -5.618 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.609 -7.279 -6.056 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.401 -7.384 -6.357 1.00 0.00 H new ATOM 382 N ARG A 24 -10.509 -0.433 -6.050 1.00 0.00 N ATOM 383 CA ARG A 24 -11.918 0.039 -6.138 1.00 0.00 C ATOM 384 C ARG A 24 -12.395 0.165 -7.597 1.00 0.00 C ATOM 385 O ARG A 24 -13.489 -0.266 -7.889 1.00 0.00 O ATOM 386 CB ARG A 24 -11.943 1.400 -5.460 1.00 0.00 C ATOM 387 CG ARG A 24 -12.131 1.222 -3.952 1.00 0.00 C ATOM 388 CD ARG A 24 -11.856 2.550 -3.239 1.00 0.00 C ATOM 389 NE ARG A 24 -13.196 3.055 -2.830 1.00 0.00 N ATOM 390 CZ ARG A 24 -13.349 3.638 -1.672 1.00 0.00 C ATOM 391 NH1 ARG A 24 -13.204 2.952 -0.572 1.00 0.00 N ATOM 392 NH2 ARG A 24 -13.647 4.908 -1.615 1.00 0.00 N ATOM 0 H ARG A 24 -9.810 0.306 -5.977 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.589 -0.674 -5.660 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.014 1.934 -5.660 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.752 2.005 -5.868 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.146 0.887 -3.739 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.456 0.451 -3.580 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.208 2.407 -2.374 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.354 3.256 -3.900 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.995 2.945 -3.455 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.971 1.960 -0.617 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.324 3.408 0.333 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.760 5.444 -2.475 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.767 5.364 -0.710 1.00 0.00 H new ATOM 406 N PRO A 25 -11.590 0.751 -8.480 1.00 0.00 N ATOM 407 CA PRO A 25 -12.032 0.905 -9.895 1.00 0.00 C ATOM 408 C PRO A 25 -12.173 -0.466 -10.565 1.00 0.00 C ATOM 409 O PRO A 25 -12.815 -0.596 -11.590 1.00 0.00 O ATOM 410 CB PRO A 25 -10.937 1.753 -10.538 1.00 0.00 C ATOM 411 CG PRO A 25 -9.736 1.541 -9.686 1.00 0.00 C ATOM 412 CD PRO A 25 -10.231 1.293 -8.284 1.00 0.00 C ATOM 0 HA PRO A 25 -13.011 1.375 -9.992 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.751 1.444 -11.566 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.219 2.805 -10.568 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.153 0.693 -10.045 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.083 2.413 -9.716 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.592 0.587 -7.753 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.248 2.212 -7.697 1.00 0.00 H new ATOM 420 N LYS A 26 -11.618 -1.493 -9.969 1.00 0.00 N ATOM 421 CA LYS A 26 -11.762 -2.860 -10.544 1.00 0.00 C ATOM 422 C LYS A 26 -13.191 -3.329 -10.290 1.00 0.00 C ATOM 423 O LYS A 26 -13.895 -3.752 -11.187 1.00 0.00 O ATOM 424 CB LYS A 26 -10.780 -3.728 -9.764 1.00 0.00 C ATOM 425 CG LYS A 26 -10.668 -5.102 -10.427 1.00 0.00 C ATOM 426 CD LYS A 26 -11.827 -5.988 -9.969 1.00 0.00 C ATOM 427 CE LYS A 26 -11.450 -7.459 -10.152 1.00 0.00 C ATOM 428 NZ LYS A 26 -11.613 -7.719 -11.610 1.00 0.00 N ATOM 0 H LYS A 26 -11.072 -1.440 -9.109 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.564 -2.901 -11.615 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.802 -3.248 -9.732 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.116 -3.837 -8.733 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.684 -4.996 -11.512 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.717 -5.566 -10.166 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.059 -5.789 -8.923 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.724 -5.757 -10.544 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.426 -7.647 -9.829 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.095 -8.109 -9.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.380 -8.406 -11.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.847 -6.830 -12.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.726 -8.102 -11.996 1.00 0.00 H new ATOM 442 N ILE A 27 -13.620 -3.243 -9.055 1.00 0.00 N ATOM 443 CA ILE A 27 -15.009 -3.665 -8.688 1.00 0.00 C ATOM 444 C ILE A 27 -16.030 -2.973 -9.591 1.00 0.00 C ATOM 445 O ILE A 27 -17.077 -3.506 -9.886 1.00 0.00 O ATOM 446 CB ILE A 27 -15.234 -3.165 -7.244 1.00 0.00 C ATOM 447 CG1 ILE A 27 -14.149 -3.672 -6.277 1.00 0.00 C ATOM 448 CG2 ILE A 27 -16.599 -3.641 -6.749 1.00 0.00 C ATOM 449 CD1 ILE A 27 -14.023 -5.191 -6.357 1.00 0.00 C ATOM 0 H ILE A 27 -13.061 -2.894 -8.276 1.00 0.00 H new ATOM 0 HA ILE A 27 -15.125 -4.744 -8.789 1.00 0.00 H new ATOM 0 HB ILE A 27 -15.186 -2.076 -7.264 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -13.193 -3.209 -6.521 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.396 -3.376 -5.258 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -16.759 -3.289 -5.730 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -17.380 -3.244 -7.397 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.633 -4.730 -6.766 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -13.251 -5.529 -5.666 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -14.975 -5.650 -6.090 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.753 -5.481 -7.373 1.00 0.00 H new ATOM 461 N LYS A 28 -15.736 -1.764 -9.980 1.00 0.00 N ATOM 462 CA LYS A 28 -16.704 -0.984 -10.816 1.00 0.00 C ATOM 463 C LYS A 28 -16.754 -1.551 -12.239 1.00 0.00 C ATOM 464 O LYS A 28 -17.802 -1.596 -12.858 1.00 0.00 O ATOM 465 CB LYS A 28 -16.231 0.496 -10.855 1.00 0.00 C ATOM 466 CG LYS A 28 -15.496 0.958 -9.576 1.00 0.00 C ATOM 467 CD LYS A 28 -16.220 0.536 -8.287 1.00 0.00 C ATOM 468 CE LYS A 28 -17.653 1.074 -8.292 1.00 0.00 C ATOM 469 NZ LYS A 28 -17.513 2.544 -8.088 1.00 0.00 N ATOM 0 H LYS A 28 -14.867 -1.278 -9.757 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.703 -1.051 -10.385 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.569 0.632 -11.710 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.097 1.139 -11.016 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.487 0.545 -9.573 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.396 2.043 -9.592 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.231 -0.551 -8.205 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.683 0.916 -7.418 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.155 0.852 -9.234 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.248 0.620 -7.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.372 2.915 -7.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.691 2.733 -7.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.378 3.011 -9.007 1.00 0.00 H new ATOM 483 N SER A 29 -15.633 -1.974 -12.763 1.00 0.00 N ATOM 484 CA SER A 29 -15.610 -2.529 -14.154 1.00 0.00 C ATOM 485 C SER A 29 -16.542 -3.740 -14.271 1.00 0.00 C ATOM 486 O SER A 29 -17.023 -4.059 -15.343 1.00 0.00 O ATOM 487 CB SER A 29 -14.160 -2.949 -14.398 1.00 0.00 C ATOM 488 OG SER A 29 -14.010 -3.353 -15.753 1.00 0.00 O ATOM 0 H SER A 29 -14.730 -1.960 -12.289 1.00 0.00 H new ATOM 0 HA SER A 29 -15.953 -1.797 -14.885 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.487 -2.121 -14.177 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.889 -3.767 -13.730 1.00 0.00 H new ATOM 0 HG SER A 29 -13.081 -3.621 -15.913 1.00 0.00 H new ATOM 494 N GLU A 30 -16.793 -4.420 -13.181 1.00 0.00 N ATOM 495 CA GLU A 30 -17.687 -5.619 -13.228 1.00 0.00 C ATOM 496 C GLU A 30 -18.944 -5.397 -12.378 1.00 0.00 C ATOM 497 O GLU A 30 -19.963 -6.025 -12.597 1.00 0.00 O ATOM 498 CB GLU A 30 -16.841 -6.758 -12.652 1.00 0.00 C ATOM 499 CG GLU A 30 -16.358 -7.670 -13.783 1.00 0.00 C ATOM 500 CD GLU A 30 -17.483 -8.624 -14.187 1.00 0.00 C ATOM 501 OE1 GLU A 30 -17.858 -9.446 -13.367 1.00 0.00 O ATOM 502 OE2 GLU A 30 -17.951 -8.515 -15.308 1.00 0.00 O ATOM 0 H GLU A 30 -16.417 -4.197 -12.259 1.00 0.00 H new ATOM 0 HA GLU A 30 -18.034 -5.832 -14.239 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.987 -6.351 -12.111 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -17.428 -7.332 -11.935 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.049 -7.071 -14.640 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.485 -8.237 -13.459 1.00 0.00 H new ATOM 509 N HIS A 31 -18.881 -4.514 -11.414 1.00 0.00 N ATOM 510 CA HIS A 31 -20.075 -4.255 -10.550 1.00 0.00 C ATOM 511 C HIS A 31 -20.479 -2.777 -10.660 1.00 0.00 C ATOM 512 O HIS A 31 -19.922 -1.940 -9.979 1.00 0.00 O ATOM 513 CB HIS A 31 -19.647 -4.581 -9.109 1.00 0.00 C ATOM 514 CG HIS A 31 -18.986 -5.935 -9.042 1.00 0.00 C ATOM 515 ND1 HIS A 31 -17.609 -6.084 -9.105 1.00 0.00 N ATOM 516 CD2 HIS A 31 -19.494 -7.203 -8.912 1.00 0.00 C ATOM 517 CE1 HIS A 31 -17.339 -7.398 -9.015 1.00 0.00 C ATOM 518 NE2 HIS A 31 -18.452 -8.126 -8.895 1.00 0.00 N ATOM 0 H HIS A 31 -18.055 -3.961 -11.187 1.00 0.00 H new ATOM 0 HA HIS A 31 -20.929 -4.861 -10.852 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.959 -3.817 -8.747 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -20.517 -4.563 -8.453 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -16.925 -5.333 -9.202 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -20.543 -7.448 -8.835 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -16.343 -7.814 -9.037 1.00 0.00 H new ATOM 526 N PRO A 32 -21.437 -2.495 -11.517 1.00 0.00 N ATOM 527 CA PRO A 32 -21.893 -1.096 -11.695 1.00 0.00 C ATOM 528 C PRO A 32 -22.761 -0.663 -10.515 1.00 0.00 C ATOM 529 O PRO A 32 -22.764 0.489 -10.123 1.00 0.00 O ATOM 530 CB PRO A 32 -22.707 -1.143 -12.983 1.00 0.00 C ATOM 531 CG PRO A 32 -23.166 -2.561 -13.113 1.00 0.00 C ATOM 532 CD PRO A 32 -22.176 -3.429 -12.382 1.00 0.00 C ATOM 0 HA PRO A 32 -21.071 -0.381 -11.744 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -23.554 -0.459 -12.937 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -22.103 -0.846 -13.840 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -24.164 -2.680 -12.692 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -23.226 -2.849 -14.162 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -22.679 -4.199 -11.797 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -21.509 -3.941 -13.075 1.00 0.00 H new ATOM 540 N GLY A 33 -23.496 -1.582 -9.949 1.00 0.00 N ATOM 541 CA GLY A 33 -24.371 -1.242 -8.791 1.00 0.00 C ATOM 542 C GLY A 33 -23.548 -1.194 -7.494 1.00 0.00 C ATOM 543 O GLY A 33 -24.018 -0.713 -6.483 1.00 0.00 O ATOM 0 H GLY A 33 -23.528 -2.559 -10.241 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -24.851 -0.278 -8.960 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -25.166 -1.982 -8.698 1.00 0.00 H new ATOM 547 N LEU A 34 -22.334 -1.698 -7.512 1.00 0.00 N ATOM 548 CA LEU A 34 -21.484 -1.691 -6.273 1.00 0.00 C ATOM 549 C LEU A 34 -21.229 -0.256 -5.789 1.00 0.00 C ATOM 550 O LEU A 34 -20.207 0.334 -6.082 1.00 0.00 O ATOM 551 CB LEU A 34 -20.161 -2.364 -6.688 1.00 0.00 C ATOM 552 CG LEU A 34 -19.947 -3.674 -5.907 1.00 0.00 C ATOM 553 CD1 LEU A 34 -19.730 -3.358 -4.426 1.00 0.00 C ATOM 554 CD2 LEU A 34 -21.167 -4.597 -6.066 1.00 0.00 C ATOM 0 H LEU A 34 -21.894 -2.115 -8.332 1.00 0.00 H new ATOM 0 HA LEU A 34 -21.970 -2.213 -5.449 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -20.173 -2.571 -7.758 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.329 -1.685 -6.504 1.00 0.00 H new ATOM 0 HG LEU A 34 -19.068 -4.182 -6.305 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.579 -4.286 -3.874 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.852 -2.722 -4.315 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.605 -2.840 -4.032 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -21.001 -5.519 -5.508 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -22.055 -4.095 -5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.311 -4.832 -7.121 1.00 0.00 H new ATOM 566 N SER A 35 -22.155 0.303 -5.052 1.00 0.00 N ATOM 567 CA SER A 35 -21.975 1.697 -4.540 1.00 0.00 C ATOM 568 C SER A 35 -20.966 1.700 -3.391 1.00 0.00 C ATOM 569 O SER A 35 -20.570 0.657 -2.906 1.00 0.00 O ATOM 570 CB SER A 35 -23.357 2.123 -4.042 1.00 0.00 C ATOM 571 OG SER A 35 -23.789 1.225 -3.029 1.00 0.00 O ATOM 0 H SER A 35 -23.030 -0.146 -4.782 1.00 0.00 H new ATOM 0 HA SER A 35 -21.596 2.375 -5.305 1.00 0.00 H new ATOM 0 HB2 SER A 35 -23.318 3.139 -3.650 1.00 0.00 H new ATOM 0 HB3 SER A 35 -24.068 2.127 -4.868 1.00 0.00 H new ATOM 0 HG SER A 35 -24.674 1.497 -2.707 1.00 0.00 H new ATOM 577 N ILE A 36 -20.545 2.861 -2.945 1.00 0.00 N ATOM 578 CA ILE A 36 -19.554 2.925 -1.818 1.00 0.00 C ATOM 579 C ILE A 36 -20.048 2.097 -0.625 1.00 0.00 C ATOM 580 O ILE A 36 -19.263 1.589 0.155 1.00 0.00 O ATOM 581 CB ILE A 36 -19.450 4.413 -1.443 1.00 0.00 C ATOM 582 CG1 ILE A 36 -18.881 5.217 -2.626 1.00 0.00 C ATOM 583 CG2 ILE A 36 -18.531 4.578 -0.224 1.00 0.00 C ATOM 584 CD1 ILE A 36 -17.488 4.695 -3.005 1.00 0.00 C ATOM 0 H ILE A 36 -20.843 3.765 -3.310 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.585 2.517 -2.106 1.00 0.00 H new ATOM 0 HB ILE A 36 -20.445 4.786 -1.202 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -19.551 5.140 -3.482 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -18.822 6.273 -2.362 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -18.460 5.634 0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -18.941 4.022 0.619 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -17.538 4.196 -0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -17.098 5.273 -3.843 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.817 4.795 -2.152 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -17.558 3.645 -3.290 1.00 0.00 H new ATOM 596 N GLY A 37 -21.341 1.954 -0.486 1.00 0.00 N ATOM 597 CA GLY A 37 -21.892 1.155 0.646 1.00 0.00 C ATOM 598 C GLY A 37 -21.400 -0.287 0.527 1.00 0.00 C ATOM 599 O GLY A 37 -20.564 -0.729 1.289 1.00 0.00 O ATOM 0 H GLY A 37 -22.040 2.358 -1.110 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -21.576 1.583 1.597 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -22.982 1.183 0.631 1.00 0.00 H new ATOM 603 N ASP A 38 -21.908 -1.016 -0.431 1.00 0.00 N ATOM 604 CA ASP A 38 -21.472 -2.435 -0.611 1.00 0.00 C ATOM 605 C ASP A 38 -20.009 -2.497 -1.060 1.00 0.00 C ATOM 606 O ASP A 38 -19.339 -3.479 -0.831 1.00 0.00 O ATOM 607 CB ASP A 38 -22.388 -3.008 -1.694 1.00 0.00 C ATOM 608 CG ASP A 38 -22.386 -4.535 -1.608 1.00 0.00 C ATOM 609 OD1 ASP A 38 -23.142 -5.066 -0.811 1.00 0.00 O ATOM 610 OD2 ASP A 38 -21.629 -5.149 -2.341 1.00 0.00 O ATOM 0 H ASP A 38 -22.607 -0.691 -1.099 1.00 0.00 H new ATOM 0 HA ASP A 38 -21.541 -2.999 0.319 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -23.401 -2.627 -1.567 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -22.048 -2.688 -2.679 1.00 0.00 H new ATOM 615 N THR A 39 -19.512 -1.458 -1.690 1.00 0.00 N ATOM 616 CA THR A 39 -18.084 -1.470 -2.148 1.00 0.00 C ATOM 617 C THR A 39 -17.147 -1.352 -0.942 1.00 0.00 C ATOM 618 O THR A 39 -16.188 -2.090 -0.818 1.00 0.00 O ATOM 619 CB THR A 39 -17.945 -0.257 -3.079 1.00 0.00 C ATOM 620 OG1 THR A 39 -18.783 -0.441 -4.210 1.00 0.00 O ATOM 621 CG2 THR A 39 -16.493 -0.116 -3.548 1.00 0.00 C ATOM 0 H THR A 39 -20.030 -0.606 -1.906 1.00 0.00 H new ATOM 0 HA THR A 39 -17.820 -2.394 -2.662 1.00 0.00 H new ATOM 0 HB THR A 39 -18.235 0.644 -2.539 1.00 0.00 H new ATOM 0 HG1 THR A 39 -19.722 -0.385 -3.934 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.406 0.747 -4.208 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.843 0.021 -2.684 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.196 -1.016 -4.087 1.00 0.00 H new ATOM 629 N ALA A 40 -17.421 -0.430 -0.054 1.00 0.00 N ATOM 630 CA ALA A 40 -16.552 -0.257 1.156 1.00 0.00 C ATOM 631 C ALA A 40 -16.386 -1.597 1.880 1.00 0.00 C ATOM 632 O ALA A 40 -15.309 -1.947 2.324 1.00 0.00 O ATOM 633 CB ALA A 40 -17.293 0.744 2.045 1.00 0.00 C ATOM 0 H ALA A 40 -18.210 0.213 -0.113 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.553 0.094 0.898 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.716 0.921 2.953 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -17.421 1.683 1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -18.271 0.341 2.309 1.00 0.00 H new ATOM 639 N LYS A 41 -17.453 -2.346 1.993 1.00 0.00 N ATOM 640 CA LYS A 41 -17.376 -3.670 2.681 1.00 0.00 C ATOM 641 C LYS A 41 -16.940 -4.780 1.707 1.00 0.00 C ATOM 642 O LYS A 41 -16.631 -5.880 2.127 1.00 0.00 O ATOM 643 CB LYS A 41 -18.784 -3.935 3.238 1.00 0.00 C ATOM 644 CG LYS A 41 -19.806 -4.077 2.107 1.00 0.00 C ATOM 645 CD LYS A 41 -21.218 -3.912 2.678 1.00 0.00 C ATOM 646 CE LYS A 41 -21.403 -2.485 3.219 1.00 0.00 C ATOM 647 NZ LYS A 41 -21.798 -2.658 4.646 1.00 0.00 N ATOM 0 H LYS A 41 -18.376 -2.097 1.638 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.631 -3.662 3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -18.775 -4.843 3.841 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -19.077 -3.118 3.897 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -19.622 -3.326 1.338 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -19.705 -5.052 1.631 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.958 -4.115 1.904 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -21.384 -4.636 3.475 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -20.482 -1.908 3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -22.169 -1.948 2.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -21.942 -1.725 5.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -22.681 -3.204 4.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -21.047 -3.166 5.155 1.00 0.00 H new ATOM 661 N LYS A 42 -16.894 -4.508 0.419 1.00 0.00 N ATOM 662 CA LYS A 42 -16.457 -5.561 -0.557 1.00 0.00 C ATOM 663 C LYS A 42 -14.944 -5.751 -0.457 1.00 0.00 C ATOM 664 O LYS A 42 -14.455 -6.826 -0.172 1.00 0.00 O ATOM 665 CB LYS A 42 -16.821 -5.008 -1.942 1.00 0.00 C ATOM 666 CG LYS A 42 -17.225 -6.141 -2.888 1.00 0.00 C ATOM 667 CD LYS A 42 -18.590 -6.702 -2.473 1.00 0.00 C ATOM 668 CE LYS A 42 -18.394 -8.009 -1.699 1.00 0.00 C ATOM 669 NZ LYS A 42 -18.913 -9.079 -2.595 1.00 0.00 N ATOM 0 H LYS A 42 -17.139 -3.608 0.006 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.931 -6.524 -0.366 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -17.640 -4.295 -1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.971 -4.466 -2.358 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.269 -5.773 -3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.475 -6.931 -2.865 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -19.120 -5.977 -1.855 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -19.205 -6.879 -3.355 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -17.343 -8.171 -1.461 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -18.936 -7.991 -0.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.810 -10.003 -2.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -19.918 -8.904 -2.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.374 -9.079 -3.484 1.00 0.00 H new ATOM 683 N LEU A 43 -14.204 -4.699 -0.699 1.00 0.00 N ATOM 684 CA LEU A 43 -12.710 -4.779 -0.633 1.00 0.00 C ATOM 685 C LEU A 43 -12.252 -5.352 0.713 1.00 0.00 C ATOM 686 O LEU A 43 -11.201 -5.959 0.811 1.00 0.00 O ATOM 687 CB LEU A 43 -12.236 -3.333 -0.786 1.00 0.00 C ATOM 688 CG LEU A 43 -12.357 -2.914 -2.252 1.00 0.00 C ATOM 689 CD1 LEU A 43 -12.529 -1.396 -2.337 1.00 0.00 C ATOM 690 CD2 LEU A 43 -11.091 -3.326 -3.006 1.00 0.00 C ATOM 0 H LEU A 43 -14.573 -3.779 -0.942 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.302 -5.434 -1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.834 -2.674 -0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.202 -3.240 -0.453 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.222 -3.403 -2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.615 -1.098 -3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.431 -1.101 -1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.664 -0.906 -1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.177 -3.028 -4.051 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.226 -2.837 -2.559 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.968 -4.407 -2.946 1.00 0.00 H new ATOM 702 N GLY A 44 -13.034 -5.167 1.748 1.00 0.00 N ATOM 703 CA GLY A 44 -12.649 -5.702 3.091 1.00 0.00 C ATOM 704 C GLY A 44 -12.510 -7.224 3.017 1.00 0.00 C ATOM 705 O GLY A 44 -11.557 -7.792 3.516 1.00 0.00 O ATOM 0 H GLY A 44 -13.923 -4.668 1.721 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.709 -5.256 3.415 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.402 -5.431 3.831 1.00 0.00 H new ATOM 709 N GLU A 45 -13.452 -7.885 2.393 1.00 0.00 N ATOM 710 CA GLU A 45 -13.380 -9.374 2.278 1.00 0.00 C ATOM 711 C GLU A 45 -12.135 -9.775 1.483 1.00 0.00 C ATOM 712 O GLU A 45 -11.375 -10.631 1.895 1.00 0.00 O ATOM 713 CB GLU A 45 -14.650 -9.785 1.529 1.00 0.00 C ATOM 714 CG GLU A 45 -14.978 -11.246 1.843 1.00 0.00 C ATOM 715 CD GLU A 45 -16.229 -11.666 1.070 1.00 0.00 C ATOM 716 OE1 GLU A 45 -17.313 -11.297 1.491 1.00 0.00 O ATOM 717 OE2 GLU A 45 -16.083 -12.351 0.071 1.00 0.00 O ATOM 0 H GLU A 45 -14.269 -7.457 1.957 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.313 -9.860 3.251 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.481 -9.144 1.822 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.510 -9.655 0.456 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.138 -11.885 1.571 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.140 -11.371 2.914 1.00 0.00 H new ATOM 724 N MET A 46 -11.924 -9.160 0.347 1.00 0.00 N ATOM 725 CA MET A 46 -10.728 -9.499 -0.486 1.00 0.00 C ATOM 726 C MET A 46 -9.437 -9.234 0.294 1.00 0.00 C ATOM 727 O MET A 46 -8.411 -9.831 0.024 1.00 0.00 O ATOM 728 CB MET A 46 -10.804 -8.575 -1.700 1.00 0.00 C ATOM 729 CG MET A 46 -12.060 -8.899 -2.512 1.00 0.00 C ATOM 730 SD MET A 46 -11.757 -10.364 -3.531 1.00 0.00 S ATOM 731 CE MET A 46 -13.439 -10.540 -4.177 1.00 0.00 C ATOM 0 H MET A 46 -12.529 -8.436 -0.041 1.00 0.00 H new ATOM 0 HA MET A 46 -10.722 -10.551 -0.770 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.826 -7.534 -1.377 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.916 -8.698 -2.320 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.903 -9.075 -1.844 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.326 -8.052 -3.144 1.00 0.00 H new ATOM 0 HE1 MET A 46 -13.484 -11.401 -4.844 1.00 0.00 H new ATOM 0 HE2 MET A 46 -14.133 -10.685 -3.349 1.00 0.00 H new ATOM 0 HE3 MET A 46 -13.713 -9.640 -4.727 1.00 0.00 H new ATOM 741 N TRP A 47 -9.483 -8.354 1.264 1.00 0.00 N ATOM 742 CA TRP A 47 -8.257 -8.063 2.065 1.00 0.00 C ATOM 743 C TRP A 47 -8.060 -9.159 3.111 1.00 0.00 C ATOM 744 O TRP A 47 -6.984 -9.710 3.253 1.00 0.00 O ATOM 745 CB TRP A 47 -8.522 -6.716 2.740 1.00 0.00 C ATOM 746 CG TRP A 47 -7.281 -6.265 3.440 1.00 0.00 C ATOM 747 CD1 TRP A 47 -7.125 -6.201 4.783 1.00 0.00 C ATOM 748 CD2 TRP A 47 -6.020 -5.819 2.860 1.00 0.00 C ATOM 749 NE1 TRP A 47 -5.850 -5.744 5.063 1.00 0.00 N ATOM 750 CE2 TRP A 47 -5.130 -5.494 3.911 1.00 0.00 C ATOM 751 CE3 TRP A 47 -5.568 -5.665 1.538 1.00 0.00 C ATOM 752 CZ2 TRP A 47 -3.837 -5.033 3.659 1.00 0.00 C ATOM 753 CZ3 TRP A 47 -4.267 -5.203 1.280 1.00 0.00 C ATOM 754 CH2 TRP A 47 -3.404 -4.888 2.338 1.00 0.00 C ATOM 0 H TRP A 47 -10.314 -7.827 1.534 1.00 0.00 H new ATOM 0 HA TRP A 47 -7.357 -8.030 1.452 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.824 -5.977 1.998 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.343 -6.807 3.452 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.874 -6.464 5.516 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.486 -5.608 6.006 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -6.226 -5.904 0.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.176 -4.790 4.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.930 -5.090 0.260 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.405 -4.533 2.133 1.00 0.00 H new ATOM 765 N SER A 48 -9.097 -9.480 3.841 1.00 0.00 N ATOM 766 CA SER A 48 -8.986 -10.547 4.882 1.00 0.00 C ATOM 767 C SER A 48 -8.772 -11.908 4.216 1.00 0.00 C ATOM 768 O SER A 48 -8.182 -12.802 4.794 1.00 0.00 O ATOM 769 CB SER A 48 -10.318 -10.521 5.632 1.00 0.00 C ATOM 770 OG SER A 48 -10.229 -11.357 6.778 1.00 0.00 O ATOM 0 H SER A 48 -10.018 -9.049 3.761 1.00 0.00 H new ATOM 0 HA SER A 48 -8.143 -10.381 5.553 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.561 -9.501 5.930 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.122 -10.863 4.980 1.00 0.00 H new ATOM 0 HG SER A 48 -11.081 -11.341 7.262 1.00 0.00 H new ATOM 776 N GLU A 49 -9.238 -12.067 3.002 1.00 0.00 N ATOM 777 CA GLU A 49 -9.054 -13.367 2.290 1.00 0.00 C ATOM 778 C GLU A 49 -7.574 -13.570 1.968 1.00 0.00 C ATOM 779 O GLU A 49 -7.027 -14.639 2.162 1.00 0.00 O ATOM 780 CB GLU A 49 -9.874 -13.244 1.003 1.00 0.00 C ATOM 781 CG GLU A 49 -11.336 -13.588 1.293 1.00 0.00 C ATOM 782 CD GLU A 49 -11.496 -15.106 1.380 1.00 0.00 C ATOM 783 OE1 GLU A 49 -11.112 -15.666 2.394 1.00 0.00 O ATOM 784 OE2 GLU A 49 -12.002 -15.685 0.432 1.00 0.00 O ATOM 0 H GLU A 49 -9.738 -11.352 2.474 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.377 -14.219 2.889 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.800 -12.231 0.607 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.476 -13.914 0.241 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.651 -13.124 2.228 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.977 -13.189 0.507 1.00 0.00 H new ATOM 791 N GLN A 50 -6.922 -12.543 1.479 1.00 0.00 N ATOM 792 CA GLN A 50 -5.467 -12.660 1.140 1.00 0.00 C ATOM 793 C GLN A 50 -4.666 -13.095 2.371 1.00 0.00 C ATOM 794 O GLN A 50 -5.053 -12.841 3.497 1.00 0.00 O ATOM 795 CB GLN A 50 -5.043 -11.257 0.700 1.00 0.00 C ATOM 796 CG GLN A 50 -5.654 -10.946 -0.669 1.00 0.00 C ATOM 797 CD GLN A 50 -4.907 -11.728 -1.752 1.00 0.00 C ATOM 798 OE1 GLN A 50 -3.967 -11.229 -2.338 1.00 0.00 O ATOM 799 NE2 GLN A 50 -5.288 -12.940 -2.044 1.00 0.00 N ATOM 0 H GLN A 50 -7.334 -11.627 1.299 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.288 -13.404 0.363 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.371 -10.520 1.433 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.956 -11.193 0.648 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.711 -11.213 -0.676 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.594 -9.877 -0.871 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.077 -13.359 -1.552 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.797 -13.469 -2.764 1.00 0.00 H new ATOM 808 N SER A 51 -3.551 -13.742 2.159 1.00 0.00 N ATOM 809 CA SER A 51 -2.711 -14.195 3.305 1.00 0.00 C ATOM 810 C SER A 51 -1.573 -13.196 3.532 1.00 0.00 C ATOM 811 O SER A 51 -1.698 -12.028 3.215 1.00 0.00 O ATOM 812 CB SER A 51 -2.167 -15.560 2.878 1.00 0.00 C ATOM 813 OG SER A 51 -1.561 -16.195 3.995 1.00 0.00 O ATOM 0 H SER A 51 -3.185 -13.977 1.237 1.00 0.00 H new ATOM 0 HA SER A 51 -3.268 -14.262 4.240 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.974 -16.180 2.487 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.440 -15.439 2.075 1.00 0.00 H new ATOM 0 HG SER A 51 -1.213 -17.070 3.725 1.00 0.00 H new ATOM 819 N ALA A 52 -0.465 -13.642 4.069 1.00 0.00 N ATOM 820 CA ALA A 52 0.681 -12.713 4.307 1.00 0.00 C ATOM 821 C ALA A 52 1.573 -12.647 3.061 1.00 0.00 C ATOM 822 O ALA A 52 2.778 -12.786 3.145 1.00 0.00 O ATOM 823 CB ALA A 52 1.446 -13.320 5.483 1.00 0.00 C ATOM 0 H ALA A 52 -0.305 -14.609 4.353 1.00 0.00 H new ATOM 0 HA ALA A 52 0.352 -11.695 4.518 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.306 -12.693 5.720 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.790 -13.380 6.352 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.788 -14.320 5.217 1.00 0.00 H new ATOM 829 N LYS A 53 0.986 -12.434 1.907 1.00 0.00 N ATOM 830 CA LYS A 53 1.795 -12.358 0.655 1.00 0.00 C ATOM 831 C LYS A 53 1.475 -11.070 -0.106 1.00 0.00 C ATOM 832 O LYS A 53 2.361 -10.348 -0.516 1.00 0.00 O ATOM 833 CB LYS A 53 1.376 -13.582 -0.162 1.00 0.00 C ATOM 834 CG LYS A 53 1.947 -14.846 0.482 1.00 0.00 C ATOM 835 CD LYS A 53 1.462 -16.075 -0.291 1.00 0.00 C ATOM 836 CE LYS A 53 2.259 -16.209 -1.590 1.00 0.00 C ATOM 837 NZ LYS A 53 1.900 -17.552 -2.125 1.00 0.00 N ATOM 0 H LYS A 53 -0.019 -12.310 1.781 1.00 0.00 H new ATOM 0 HA LYS A 53 2.866 -12.349 0.856 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.289 -13.645 -0.210 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.736 -13.489 -1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.036 -14.808 0.480 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.632 -14.911 1.524 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.584 -16.971 0.317 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.399 -15.982 -0.512 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.999 -15.420 -2.296 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.330 -16.131 -1.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.408 -17.717 -3.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.165 -18.283 -1.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.875 -17.594 -2.297 1.00 0.00 H new ATOM 851 N ASP A 54 0.213 -10.783 -0.304 1.00 0.00 N ATOM 852 CA ASP A 54 -0.174 -9.543 -1.049 1.00 0.00 C ATOM 853 C ASP A 54 0.197 -8.292 -0.249 1.00 0.00 C ATOM 854 O ASP A 54 0.432 -7.239 -0.812 1.00 0.00 O ATOM 855 CB ASP A 54 -1.691 -9.633 -1.223 1.00 0.00 C ATOM 856 CG ASP A 54 -2.138 -8.663 -2.316 1.00 0.00 C ATOM 857 OD1 ASP A 54 -2.199 -7.476 -2.038 1.00 0.00 O ATOM 858 OD2 ASP A 54 -2.413 -9.121 -3.413 1.00 0.00 O ATOM 0 H ASP A 54 -0.568 -11.354 0.018 1.00 0.00 H new ATOM 0 HA ASP A 54 0.344 -9.470 -2.005 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.978 -10.651 -1.486 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.190 -9.394 -0.284 1.00 0.00 H new ATOM 863 N LYS A 55 0.245 -8.394 1.056 1.00 0.00 N ATOM 864 CA LYS A 55 0.594 -7.203 1.888 1.00 0.00 C ATOM 865 C LYS A 55 2.111 -7.001 1.935 1.00 0.00 C ATOM 866 O LYS A 55 2.586 -5.890 1.959 1.00 0.00 O ATOM 867 CB LYS A 55 0.056 -7.516 3.285 1.00 0.00 C ATOM 868 CG LYS A 55 0.266 -6.307 4.198 1.00 0.00 C ATOM 869 CD LYS A 55 -0.637 -6.433 5.426 1.00 0.00 C ATOM 870 CE LYS A 55 0.068 -5.829 6.644 1.00 0.00 C ATOM 871 NZ LYS A 55 -0.660 -6.379 7.821 1.00 0.00 N ATOM 0 H LYS A 55 0.058 -9.249 1.580 1.00 0.00 H new ATOM 0 HA LYS A 55 0.167 -6.287 1.480 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.004 -7.764 3.230 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.566 -8.387 3.695 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.310 -6.247 4.506 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.039 -5.387 3.659 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.583 -5.921 5.249 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.872 -7.481 5.611 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.122 -6.105 6.667 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.024 -4.740 6.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.235 -6.010 8.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.659 -6.094 7.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.595 -7.417 7.815 1.00 0.00 H new ATOM 885 N GLN A 56 2.869 -8.072 1.970 1.00 0.00 N ATOM 886 CA GLN A 56 4.370 -7.961 2.040 1.00 0.00 C ATOM 887 C GLN A 56 4.925 -6.889 1.075 1.00 0.00 C ATOM 888 O GLN A 56 5.665 -6.023 1.495 1.00 0.00 O ATOM 889 CB GLN A 56 4.883 -9.349 1.645 1.00 0.00 C ATOM 890 CG GLN A 56 5.220 -10.154 2.903 1.00 0.00 C ATOM 891 CD GLN A 56 6.269 -11.214 2.564 1.00 0.00 C ATOM 892 OE1 GLN A 56 7.375 -11.173 3.067 1.00 0.00 O ATOM 893 NE2 GLN A 56 5.969 -12.168 1.726 1.00 0.00 N ATOM 0 H GLN A 56 2.513 -9.028 1.953 1.00 0.00 H new ATOM 0 HA GLN A 56 4.694 -7.654 3.035 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.128 -9.873 1.058 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.767 -9.254 1.015 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.596 -9.491 3.682 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.321 -10.629 3.295 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.041 -12.203 1.304 1.00 0.00 H new ATOM 0 HE22 GLN A 56 6.662 -12.879 1.493 1.00 0.00 H new ATOM 902 N PRO A 57 4.562 -6.976 -0.186 1.00 0.00 N ATOM 903 CA PRO A 57 5.055 -5.987 -1.177 1.00 0.00 C ATOM 904 C PRO A 57 4.274 -4.669 -1.077 1.00 0.00 C ATOM 905 O PRO A 57 4.823 -3.599 -1.259 1.00 0.00 O ATOM 906 CB PRO A 57 4.782 -6.656 -2.517 1.00 0.00 C ATOM 907 CG PRO A 57 3.648 -7.593 -2.262 1.00 0.00 C ATOM 908 CD PRO A 57 3.690 -7.983 -0.808 1.00 0.00 C ATOM 0 HA PRO A 57 6.104 -5.733 -1.025 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.522 -5.921 -3.279 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.661 -7.190 -2.877 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.698 -7.116 -2.502 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.732 -8.475 -2.897 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.694 -7.975 -0.365 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.088 -8.989 -0.678 1.00 0.00 H new ATOM 916 N TYR A 58 2.992 -4.744 -0.822 1.00 0.00 N ATOM 917 CA TYR A 58 2.157 -3.501 -0.746 1.00 0.00 C ATOM 918 C TYR A 58 2.214 -2.849 0.648 1.00 0.00 C ATOM 919 O TYR A 58 1.565 -1.846 0.882 1.00 0.00 O ATOM 920 CB TYR A 58 0.728 -3.974 -1.065 1.00 0.00 C ATOM 921 CG TYR A 58 0.209 -3.254 -2.290 1.00 0.00 C ATOM 922 CD1 TYR A 58 0.820 -3.457 -3.532 1.00 0.00 C ATOM 923 CD2 TYR A 58 -0.882 -2.383 -2.180 1.00 0.00 C ATOM 924 CE1 TYR A 58 0.340 -2.791 -4.666 1.00 0.00 C ATOM 925 CE2 TYR A 58 -1.362 -1.718 -3.315 1.00 0.00 C ATOM 926 CZ TYR A 58 -0.751 -1.921 -4.557 1.00 0.00 C ATOM 927 OH TYR A 58 -1.224 -1.264 -5.675 1.00 0.00 O ATOM 0 H TYR A 58 2.484 -5.614 -0.662 1.00 0.00 H new ATOM 0 HA TYR A 58 2.515 -2.739 -1.438 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.721 -5.051 -1.235 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.074 -3.782 -0.215 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.662 -4.128 -3.616 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.353 -2.224 -1.221 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.811 -2.949 -5.625 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -2.205 -1.048 -3.231 1.00 0.00 H new ATOM 0 HH TYR A 58 -1.986 -0.700 -5.425 1.00 0.00 H new ATOM 937 N GLU A 59 2.968 -3.397 1.571 1.00 0.00 N ATOM 938 CA GLU A 59 3.041 -2.787 2.935 1.00 0.00 C ATOM 939 C GLU A 59 4.288 -1.899 3.064 1.00 0.00 C ATOM 940 O GLU A 59 4.329 -0.992 3.874 1.00 0.00 O ATOM 941 CB GLU A 59 3.094 -3.972 3.913 1.00 0.00 C ATOM 942 CG GLU A 59 4.386 -4.782 3.707 1.00 0.00 C ATOM 943 CD GLU A 59 5.293 -4.635 4.932 1.00 0.00 C ATOM 944 OE1 GLU A 59 4.915 -5.118 5.987 1.00 0.00 O ATOM 945 OE2 GLU A 59 6.349 -4.040 4.795 1.00 0.00 O ATOM 0 H GLU A 59 3.533 -4.236 1.439 1.00 0.00 H new ATOM 0 HA GLU A 59 2.186 -2.143 3.141 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.046 -3.607 4.939 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.227 -4.615 3.762 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.145 -5.833 3.546 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.906 -4.434 2.815 1.00 0.00 H new ATOM 952 N GLN A 60 5.297 -2.149 2.266 1.00 0.00 N ATOM 953 CA GLN A 60 6.535 -1.315 2.335 1.00 0.00 C ATOM 954 C GLN A 60 6.313 0.027 1.624 1.00 0.00 C ATOM 955 O GLN A 60 6.993 1.000 1.893 1.00 0.00 O ATOM 956 CB GLN A 60 7.624 -2.134 1.630 1.00 0.00 C ATOM 957 CG GLN A 60 7.216 -2.425 0.182 1.00 0.00 C ATOM 958 CD GLN A 60 8.457 -2.792 -0.634 1.00 0.00 C ATOM 959 OE1 GLN A 60 9.147 -1.927 -1.134 1.00 0.00 O ATOM 960 NE2 GLN A 60 8.772 -4.049 -0.789 1.00 0.00 N ATOM 0 H GLN A 60 5.316 -2.895 1.570 1.00 0.00 H new ATOM 0 HA GLN A 60 6.814 -1.084 3.363 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.567 -1.588 1.647 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.788 -3.070 2.164 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.494 -3.241 0.153 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.727 -1.552 -0.252 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.192 -4.776 -0.369 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.598 -4.305 -1.330 1.00 0.00 H new ATOM 969 N LYS A 61 5.361 0.086 0.723 1.00 0.00 N ATOM 970 CA LYS A 61 5.086 1.364 -0.004 1.00 0.00 C ATOM 971 C LYS A 61 4.670 2.451 0.990 1.00 0.00 C ATOM 972 O LYS A 61 5.114 3.581 0.905 1.00 0.00 O ATOM 973 CB LYS A 61 3.936 1.040 -0.965 1.00 0.00 C ATOM 974 CG LYS A 61 3.574 2.284 -1.780 1.00 0.00 C ATOM 975 CD LYS A 61 2.757 1.871 -3.005 1.00 0.00 C ATOM 976 CE LYS A 61 2.590 3.073 -3.937 1.00 0.00 C ATOM 977 NZ LYS A 61 1.486 2.692 -4.862 1.00 0.00 N ATOM 0 H LYS A 61 4.763 -0.697 0.460 1.00 0.00 H new ATOM 0 HA LYS A 61 5.962 1.736 -0.536 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.226 0.229 -1.633 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.067 0.696 -0.404 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.002 2.980 -1.166 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.480 2.804 -2.092 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.256 1.057 -3.530 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.780 1.499 -2.695 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.343 3.975 -3.377 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.510 3.279 -4.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.312 3.467 -5.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.753 1.834 -5.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.622 2.508 -4.314 1.00 0.00 H new ATOM 991 N ALA A 62 3.828 2.114 1.933 1.00 0.00 N ATOM 992 CA ALA A 62 3.388 3.125 2.942 1.00 0.00 C ATOM 993 C ALA A 62 4.509 3.406 3.951 1.00 0.00 C ATOM 994 O ALA A 62 4.430 4.346 4.720 1.00 0.00 O ATOM 995 CB ALA A 62 2.183 2.496 3.643 1.00 0.00 C ATOM 0 H ALA A 62 3.426 1.184 2.048 1.00 0.00 H new ATOM 0 HA ALA A 62 3.138 4.079 2.477 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.804 3.182 4.400 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.401 2.295 2.911 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.485 1.562 4.118 1.00 0.00 H new ATOM 1001 N ALA A 63 5.557 2.615 3.946 1.00 0.00 N ATOM 1002 CA ALA A 63 6.683 2.858 4.894 1.00 0.00 C ATOM 1003 C ALA A 63 7.675 3.870 4.301 1.00 0.00 C ATOM 1004 O ALA A 63 8.690 4.171 4.901 1.00 0.00 O ATOM 1005 CB ALA A 63 7.351 1.494 5.071 1.00 0.00 C ATOM 0 H ALA A 63 5.678 1.814 3.326 1.00 0.00 H new ATOM 0 HA ALA A 63 6.340 3.273 5.842 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.193 1.587 5.757 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.629 0.785 5.477 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.708 1.136 4.105 1.00 0.00 H new ATOM 1011 N LYS A 64 7.388 4.408 3.134 1.00 0.00 N ATOM 1012 CA LYS A 64 8.303 5.406 2.513 1.00 0.00 C ATOM 1013 C LYS A 64 7.700 6.803 2.633 1.00 0.00 C ATOM 1014 O LYS A 64 8.402 7.790 2.755 1.00 0.00 O ATOM 1015 CB LYS A 64 8.386 4.993 1.045 1.00 0.00 C ATOM 1016 CG LYS A 64 9.303 3.779 0.902 1.00 0.00 C ATOM 1017 CD LYS A 64 10.735 4.168 1.276 1.00 0.00 C ATOM 1018 CE LYS A 64 11.703 3.088 0.786 1.00 0.00 C ATOM 1019 NZ LYS A 64 11.614 2.003 1.802 1.00 0.00 N ATOM 0 H LYS A 64 6.553 4.193 2.588 1.00 0.00 H new ATOM 0 HA LYS A 64 9.282 5.432 2.991 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.391 4.756 0.667 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.766 5.820 0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.956 2.971 1.546 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.273 3.407 -0.122 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.990 5.129 0.830 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.821 4.285 2.356 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.423 2.726 -0.203 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.719 3.474 0.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.250 1.225 1.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.892 2.375 2.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.637 1.650 1.849 1.00 0.00 H new ATOM 1033 N LEU A 65 6.396 6.884 2.610 1.00 0.00 N ATOM 1034 CA LEU A 65 5.715 8.206 2.736 1.00 0.00 C ATOM 1035 C LEU A 65 5.603 8.619 4.213 1.00 0.00 C ATOM 1036 O LEU A 65 5.057 9.661 4.527 1.00 0.00 O ATOM 1037 CB LEU A 65 4.325 7.991 2.134 1.00 0.00 C ATOM 1038 CG LEU A 65 4.393 8.170 0.618 1.00 0.00 C ATOM 1039 CD1 LEU A 65 4.856 6.864 -0.031 1.00 0.00 C ATOM 1040 CD2 LEU A 65 3.006 8.538 0.086 1.00 0.00 C ATOM 0 H LEU A 65 5.769 6.086 2.509 1.00 0.00 H new ATOM 0 HA LEU A 65 6.265 9.000 2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.962 6.992 2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.617 8.700 2.563 1.00 0.00 H new ATOM 0 HG LEU A 65 5.099 8.965 0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.904 6.992 -1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.843 6.600 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.151 6.068 0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.053 8.666 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.301 7.742 0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.674 9.468 0.547 1.00 0.00 H new ATOM 1052 N LYS A 66 6.122 7.822 5.120 1.00 0.00 N ATOM 1053 CA LYS A 66 6.053 8.179 6.567 1.00 0.00 C ATOM 1054 C LYS A 66 7.305 8.963 6.963 1.00 0.00 C ATOM 1055 O LYS A 66 7.277 9.782 7.862 1.00 0.00 O ATOM 1056 CB LYS A 66 5.999 6.841 7.305 1.00 0.00 C ATOM 1057 CG LYS A 66 5.714 7.087 8.788 1.00 0.00 C ATOM 1058 CD LYS A 66 5.558 5.747 9.508 1.00 0.00 C ATOM 1059 CE LYS A 66 5.451 5.985 11.015 1.00 0.00 C ATOM 1060 NZ LYS A 66 5.899 4.710 11.640 1.00 0.00 N ATOM 0 H LYS A 66 6.590 6.939 4.916 1.00 0.00 H new ATOM 0 HA LYS A 66 5.192 8.804 6.804 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.223 6.207 6.875 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.944 6.311 7.189 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.527 7.659 9.235 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.807 7.680 8.901 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.669 5.230 9.147 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.411 5.104 9.291 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.078 6.820 11.328 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.429 6.228 11.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.853 4.796 12.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.279 3.935 11.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.878 4.508 11.352 1.00 0.00 H new ATOM 1074 N GLU A 67 8.402 8.722 6.287 1.00 0.00 N ATOM 1075 CA GLU A 67 9.662 9.459 6.605 1.00 0.00 C ATOM 1076 C GLU A 67 9.725 10.783 5.828 1.00 0.00 C ATOM 1077 O GLU A 67 10.563 11.623 6.098 1.00 0.00 O ATOM 1078 CB GLU A 67 10.786 8.522 6.163 1.00 0.00 C ATOM 1079 CG GLU A 67 11.203 7.635 7.337 1.00 0.00 C ATOM 1080 CD GLU A 67 12.039 6.462 6.820 1.00 0.00 C ATOM 1081 OE1 GLU A 67 13.090 6.714 6.252 1.00 0.00 O ATOM 1082 OE2 GLU A 67 11.615 5.333 7.000 1.00 0.00 O ATOM 0 H GLU A 67 8.478 8.045 5.528 1.00 0.00 H new ATOM 0 HA GLU A 67 9.732 9.716 7.662 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.453 7.905 5.328 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.639 9.101 5.810 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.778 8.215 8.058 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.320 7.264 7.858 1.00 0.00 H new ATOM 1089 N LYS A 68 8.843 10.980 4.876 1.00 0.00 N ATOM 1090 CA LYS A 68 8.848 12.250 4.094 1.00 0.00 C ATOM 1091 C LYS A 68 7.707 13.151 4.573 1.00 0.00 C ATOM 1092 O LYS A 68 7.828 14.360 4.600 1.00 0.00 O ATOM 1093 CB LYS A 68 8.625 11.825 2.642 1.00 0.00 C ATOM 1094 CG LYS A 68 9.976 11.587 1.967 1.00 0.00 C ATOM 1095 CD LYS A 68 10.637 12.931 1.658 1.00 0.00 C ATOM 1096 CE LYS A 68 12.071 12.697 1.179 1.00 0.00 C ATOM 1097 NZ LYS A 68 12.530 14.024 0.679 1.00 0.00 N ATOM 0 H LYS A 68 8.120 10.312 4.609 1.00 0.00 H new ATOM 0 HA LYS A 68 9.775 12.811 4.210 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.024 10.917 2.606 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.070 12.596 2.107 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.620 10.994 2.617 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.840 11.017 1.048 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.069 13.460 0.893 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.638 13.561 2.548 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.705 12.340 1.990 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.107 11.944 0.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.507 13.945 0.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.912 14.335 -0.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.492 14.719 1.452 1.00 0.00 H new ATOM 1111 N TYR A 69 6.606 12.561 4.960 1.00 0.00 N ATOM 1112 CA TYR A 69 5.448 13.369 5.453 1.00 0.00 C ATOM 1113 C TYR A 69 5.754 13.908 6.853 1.00 0.00 C ATOM 1114 O TYR A 69 5.665 15.094 7.102 1.00 0.00 O ATOM 1115 CB TYR A 69 4.267 12.389 5.491 1.00 0.00 C ATOM 1116 CG TYR A 69 3.028 13.089 6.008 1.00 0.00 C ATOM 1117 CD1 TYR A 69 2.870 13.305 7.382 1.00 0.00 C ATOM 1118 CD2 TYR A 69 2.039 13.516 5.115 1.00 0.00 C ATOM 1119 CE1 TYR A 69 1.724 13.950 7.863 1.00 0.00 C ATOM 1120 CE2 TYR A 69 0.894 14.162 5.595 1.00 0.00 C ATOM 1121 CZ TYR A 69 0.735 14.379 6.969 1.00 0.00 C ATOM 1122 OH TYR A 69 -0.394 15.015 7.443 1.00 0.00 O ATOM 0 H TYR A 69 6.457 11.552 4.956 1.00 0.00 H new ATOM 0 HA TYR A 69 5.235 14.229 4.819 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.081 11.993 4.493 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.509 11.540 6.131 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.632 12.974 8.072 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.159 13.347 4.055 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.603 14.117 8.923 1.00 0.00 H new ATOM 0 HE2 TYR A 69 0.132 14.493 4.905 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.978 15.248 6.691 1.00 0.00 H new ATOM 1132 N GLU A 70 6.110 13.040 7.763 1.00 0.00 N ATOM 1133 CA GLU A 70 6.419 13.488 9.157 1.00 0.00 C ATOM 1134 C GLU A 70 7.709 14.323 9.200 1.00 0.00 C ATOM 1135 O GLU A 70 8.008 14.949 10.199 1.00 0.00 O ATOM 1136 CB GLU A 70 6.595 12.198 9.962 1.00 0.00 C ATOM 1137 CG GLU A 70 5.225 11.569 10.223 1.00 0.00 C ATOM 1138 CD GLU A 70 5.395 10.310 11.075 1.00 0.00 C ATOM 1139 OE1 GLU A 70 5.944 10.420 12.158 1.00 0.00 O ATOM 1140 OE2 GLU A 70 4.973 9.255 10.628 1.00 0.00 O ATOM 0 H GLU A 70 6.201 12.037 7.602 1.00 0.00 H new ATOM 0 HA GLU A 70 5.628 14.122 9.557 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.230 11.500 9.416 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.095 12.412 10.907 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.577 12.282 10.734 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.742 11.319 9.278 1.00 0.00 H new ATOM 1147 N LYS A 71 8.478 14.329 8.136 1.00 0.00 N ATOM 1148 CA LYS A 71 9.749 15.117 8.135 1.00 0.00 C ATOM 1149 C LYS A 71 9.608 16.385 7.284 1.00 0.00 C ATOM 1150 O LYS A 71 10.229 17.394 7.560 1.00 0.00 O ATOM 1151 CB LYS A 71 10.791 14.177 7.526 1.00 0.00 C ATOM 1152 CG LYS A 71 12.188 14.577 8.007 1.00 0.00 C ATOM 1153 CD LYS A 71 12.856 15.467 6.956 1.00 0.00 C ATOM 1154 CE LYS A 71 13.437 14.593 5.841 1.00 0.00 C ATOM 1155 NZ LYS A 71 14.677 15.294 5.409 1.00 0.00 N ATOM 0 H LYS A 71 8.280 13.824 7.272 1.00 0.00 H new ATOM 0 HA LYS A 71 10.023 15.448 9.137 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.578 13.147 7.813 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.744 14.221 6.438 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.119 15.107 8.957 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.792 13.687 8.182 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.130 16.167 6.543 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.646 16.061 7.416 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.657 13.588 6.201 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.734 14.489 5.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.133 14.755 4.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.436 16.245 5.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.330 15.373 6.215 1.00 0.00 H new ATOM 1169 N ASP A 72 8.810 16.337 6.246 1.00 0.00 N ATOM 1170 CA ASP A 72 8.645 17.538 5.369 1.00 0.00 C ATOM 1171 C ASP A 72 7.478 18.411 5.843 1.00 0.00 C ATOM 1172 O ASP A 72 7.526 19.623 5.746 1.00 0.00 O ATOM 1173 CB ASP A 72 8.357 16.974 3.978 1.00 0.00 C ATOM 1174 CG ASP A 72 8.431 18.100 2.945 1.00 0.00 C ATOM 1175 OD1 ASP A 72 9.515 18.621 2.740 1.00 0.00 O ATOM 1176 OD2 ASP A 72 7.401 18.423 2.376 1.00 0.00 O ATOM 0 H ASP A 72 8.267 15.520 5.968 1.00 0.00 H new ATOM 0 HA ASP A 72 9.531 18.173 5.385 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.078 16.194 3.734 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.370 16.513 3.958 1.00 0.00 H new ATOM 1181 N ILE A 73 6.424 17.808 6.340 1.00 0.00 N ATOM 1182 CA ILE A 73 5.242 18.607 6.804 1.00 0.00 C ATOM 1183 C ILE A 73 5.670 19.687 7.815 1.00 0.00 C ATOM 1184 O ILE A 73 5.163 20.793 7.803 1.00 0.00 O ATOM 1185 CB ILE A 73 4.282 17.584 7.439 1.00 0.00 C ATOM 1186 CG1 ILE A 73 2.920 18.245 7.664 1.00 0.00 C ATOM 1187 CG2 ILE A 73 4.832 17.077 8.780 1.00 0.00 C ATOM 1188 CD1 ILE A 73 2.120 18.215 6.360 1.00 0.00 C ATOM 0 H ILE A 73 6.330 16.798 6.445 1.00 0.00 H new ATOM 0 HA ILE A 73 4.764 19.142 5.984 1.00 0.00 H new ATOM 0 HB ILE A 73 4.180 16.734 6.764 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.375 17.722 8.450 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.053 19.274 7.998 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.137 16.356 9.209 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.798 16.598 8.619 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.952 17.917 9.465 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.149 18.685 6.518 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.664 18.757 5.587 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.976 17.181 6.045 1.00 0.00 H new