USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 772 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 89 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 93 GLN : amide:sc= -0.0827 K(o=-0.083,f=1) USER MOD Set 2.1: A 14 LYS NZ :NH3+ -169:sc= 0.203 (180deg=-0.0709) USER MOD Set 2.2: A 15 THR OG1 : rot 180:sc= 0.0384 USER MOD Set 2.3: A 49 ASN : amide:sc= -0.638 K(o=-0.4,f=-3.7!) USER MOD Set 3.1: A 31 TYR OH : rot -80:sc= 1.18 USER MOD Set 3.2: A 82 TYR OH : rot 180:sc= 1 USER MOD Set 4.1: A 24 LYS NZ :NH3+ 165:sc= -0.552 (180deg=-0.924) USER MOD Set 4.2: A 26 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 72:sc= 1.07 USER MOD Single : A 23 THR OG1 : rot -92:sc= 1.11 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -2.09 K(o=-2.1,f=-7.5!) USER MOD Single : A 34 SER OG : rot 87:sc= 1.24 USER MOD Single : A 37 THR OG1 : rot 80:sc= 0.0689 USER MOD Single : A 41 THR OG1 : rot 64:sc= 0.913 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 136:sc= -0.21 (180deg=-1.55!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.00306 USER MOD Single : A 65 LYS NZ :NH3+ -139:sc= -2.77! (180deg=-4.88!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -170:sc= -0.0342 (180deg=-0.195) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -178:sc= -1.45 (180deg=-1.53) USER MOD Single : A 80 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0251) USER MOD Single : A 81 GLN : amide:sc= 0.0355 X(o=0.036,f=-0.16) USER MOD Single : A 84 THR OG1 : rot 71:sc= 1.27 USER MOD Single : A 87 MET CE :methyl 155:sc= -3.65! (180deg=-5.38!) USER MOD Single : A 92 GLN : amide:sc= -0.812 K(o=-0.81,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl -173:sc= -10.3! (180deg=-10.6!) USER MOD Single : A 99 ASN : amide:sc= -0.631 X(o=-0.63,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 172 N ARG A 11 -13.946 5.531 -1.590 1.00 0.00 N ATOM 173 CA ARG A 11 -12.691 5.903 -0.953 1.00 0.00 C ATOM 174 C ARG A 11 -12.076 4.711 -0.226 1.00 0.00 C ATOM 175 O ARG A 11 -11.166 4.869 0.591 1.00 0.00 O ATOM 176 CB ARG A 11 -12.889 7.070 0.018 1.00 0.00 C ATOM 177 CG ARG A 11 -13.150 8.409 -0.659 1.00 0.00 C ATOM 178 CD ARG A 11 -13.072 9.567 0.334 1.00 0.00 C ATOM 179 NE ARG A 11 -14.210 9.595 1.261 1.00 0.00 N ATOM 180 CZ ARG A 11 -14.242 8.977 2.445 1.00 0.00 C ATOM 181 NH1 ARG A 11 -13.210 8.246 2.849 1.00 0.00 N ATOM 182 NH2 ARG A 11 -15.311 9.094 3.223 1.00 0.00 N ATOM 0 HA ARG A 11 -12.005 6.223 -1.738 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.725 6.840 0.678 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.003 7.160 0.646 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.422 8.562 -1.455 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.135 8.395 -1.126 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.146 9.490 0.904 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.032 10.508 -0.214 1.00 0.00 H new ATOM 0 HE ARG A 11 -15.036 10.124 0.981 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.386 8.154 2.254 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.241 7.777 3.754 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -16.106 9.655 2.916 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.338 8.623 4.127 1.00 0.00 H new ATOM 196 N ALA A 12 -12.584 3.523 -0.525 1.00 0.00 N ATOM 197 CA ALA A 12 -12.010 2.293 -0.008 1.00 0.00 C ATOM 198 C ALA A 12 -10.646 2.064 -0.641 1.00 0.00 C ATOM 199 O ALA A 12 -10.491 2.215 -1.854 1.00 0.00 O ATOM 200 CB ALA A 12 -12.930 1.113 -0.286 1.00 0.00 C ATOM 0 H ALA A 12 -13.397 3.387 -1.126 1.00 0.00 H new ATOM 0 HA ALA A 12 -11.894 2.382 1.072 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.482 0.201 0.109 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.894 1.282 0.195 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.074 1.010 -1.361 1.00 0.00 H new ATOM 206 N PHE A 13 -9.672 1.689 0.181 1.00 0.00 N ATOM 207 CA PHE A 13 -8.285 1.549 -0.258 1.00 0.00 C ATOM 208 C PHE A 13 -8.164 0.689 -1.517 1.00 0.00 C ATOM 209 O PHE A 13 -7.352 0.985 -2.391 1.00 0.00 O ATOM 210 CB PHE A 13 -7.433 0.948 0.865 1.00 0.00 C ATOM 211 CG PHE A 13 -5.953 1.047 0.616 1.00 0.00 C ATOM 212 CD1 PHE A 13 -5.241 2.157 1.043 1.00 0.00 C ATOM 213 CD2 PHE A 13 -5.273 0.033 -0.041 1.00 0.00 C ATOM 214 CE1 PHE A 13 -3.882 2.255 0.818 1.00 0.00 C ATOM 215 CE2 PHE A 13 -3.914 0.127 -0.269 1.00 0.00 C ATOM 216 CZ PHE A 13 -3.217 1.239 0.161 1.00 0.00 C ATOM 0 H PHE A 13 -9.819 1.474 1.167 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.920 2.547 -0.502 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.670 1.454 1.801 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.702 -0.100 0.993 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.755 2.955 1.558 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.812 -0.840 -0.378 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.340 3.126 1.156 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.396 -0.669 -0.784 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.154 1.314 -0.016 1.00 0.00 H new ATOM 226 N LYS A 14 -8.984 -0.358 -1.619 1.00 0.00 N ATOM 227 CA LYS A 14 -8.897 -1.282 -2.746 1.00 0.00 C ATOM 228 C LYS A 14 -9.168 -0.559 -4.068 1.00 0.00 C ATOM 229 O LYS A 14 -8.504 -0.812 -5.066 1.00 0.00 O ATOM 230 CB LYS A 14 -9.874 -2.460 -2.577 1.00 0.00 C ATOM 231 CG LYS A 14 -11.311 -2.144 -2.967 1.00 0.00 C ATOM 232 CD LYS A 14 -12.178 -3.388 -2.979 1.00 0.00 C ATOM 233 CE LYS A 14 -13.462 -3.159 -3.763 1.00 0.00 C ATOM 234 NZ LYS A 14 -14.225 -1.987 -3.260 1.00 0.00 N ATOM 0 H LYS A 14 -9.710 -0.585 -0.939 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.882 -1.678 -2.767 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.522 -3.298 -3.179 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.856 -2.786 -1.537 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.726 -1.418 -2.268 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.326 -1.681 -3.954 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.623 -4.216 -3.419 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.420 -3.675 -1.956 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.221 -3.009 -4.815 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.087 -4.050 -3.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.171 -1.977 -3.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.317 -2.050 -2.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.722 -1.112 -3.510 1.00 0.00 H new ATOM 248 N THR A 15 -10.124 0.364 -4.055 1.00 0.00 N ATOM 249 CA THR A 15 -10.520 1.074 -5.259 1.00 0.00 C ATOM 250 C THR A 15 -9.506 2.166 -5.582 1.00 0.00 C ATOM 251 O THR A 15 -9.206 2.448 -6.746 1.00 0.00 O ATOM 252 CB THR A 15 -11.915 1.707 -5.080 1.00 0.00 C ATOM 253 OG1 THR A 15 -12.800 0.775 -4.438 1.00 0.00 O ATOM 254 CG2 THR A 15 -12.502 2.119 -6.423 1.00 0.00 C ATOM 0 H THR A 15 -10.639 0.637 -3.218 1.00 0.00 H new ATOM 0 HA THR A 15 -10.557 0.359 -6.081 1.00 0.00 H new ATOM 0 HB THR A 15 -11.806 2.596 -4.459 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.683 1.186 -4.327 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.486 2.563 -6.269 1.00 0.00 H new ATOM 0 HG22 THR A 15 -11.846 2.848 -6.899 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.595 1.242 -7.064 1.00 0.00 H new ATOM 262 N VAL A 16 -8.969 2.759 -4.531 1.00 0.00 N ATOM 263 CA VAL A 16 -7.997 3.830 -4.658 1.00 0.00 C ATOM 264 C VAL A 16 -6.669 3.298 -5.173 1.00 0.00 C ATOM 265 O VAL A 16 -6.138 3.786 -6.170 1.00 0.00 O ATOM 266 CB VAL A 16 -7.789 4.524 -3.307 1.00 0.00 C ATOM 267 CG1 VAL A 16 -6.801 5.676 -3.428 1.00 0.00 C ATOM 268 CG2 VAL A 16 -9.125 5.003 -2.784 1.00 0.00 C ATOM 0 H VAL A 16 -9.194 2.512 -3.567 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.384 4.553 -5.376 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.364 3.811 -2.601 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.673 6.149 -2.455 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.840 5.296 -3.776 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.181 6.408 -4.140 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.983 5.498 -1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.562 5.706 -3.493 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.793 4.151 -2.659 1.00 0.00 H new ATOM 278 N ALA A 17 -6.146 2.288 -4.489 1.00 0.00 N ATOM 279 CA ALA A 17 -4.917 1.629 -4.913 1.00 0.00 C ATOM 280 C ALA A 17 -5.061 1.078 -6.328 1.00 0.00 C ATOM 281 O ALA A 17 -4.108 1.075 -7.102 1.00 0.00 O ATOM 282 CB ALA A 17 -4.549 0.519 -3.944 1.00 0.00 C ATOM 0 H ALA A 17 -6.555 1.907 -3.636 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.115 2.367 -4.914 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.629 0.037 -4.275 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.401 0.939 -2.949 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.353 -0.217 -3.911 1.00 0.00 H new ATOM 288 N LYS A 18 -6.266 0.633 -6.663 1.00 0.00 N ATOM 289 CA LYS A 18 -6.548 0.112 -7.993 1.00 0.00 C ATOM 290 C LYS A 18 -6.472 1.229 -9.032 1.00 0.00 C ATOM 291 O LYS A 18 -5.930 1.039 -10.121 1.00 0.00 O ATOM 292 CB LYS A 18 -7.927 -0.542 -8.007 1.00 0.00 C ATOM 293 CG LYS A 18 -8.192 -1.405 -9.224 1.00 0.00 C ATOM 294 CD LYS A 18 -9.413 -2.273 -9.005 1.00 0.00 C ATOM 295 CE LYS A 18 -9.663 -3.194 -10.183 1.00 0.00 C ATOM 296 NZ LYS A 18 -10.767 -4.148 -9.910 1.00 0.00 N ATOM 0 H LYS A 18 -7.065 0.623 -6.029 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.799 -0.638 -8.247 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.036 -1.153 -7.111 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.687 0.238 -7.956 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.341 -0.773 -10.100 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.324 -2.033 -9.428 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.280 -2.867 -8.100 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.286 -1.640 -8.846 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.905 -2.600 -11.064 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.752 -3.747 -10.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.909 -4.761 -10.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.525 -4.732 -9.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.642 -3.620 -9.716 1.00 0.00 H new ATOM 310 N SER A 19 -6.994 2.400 -8.685 1.00 0.00 N ATOM 311 CA SER A 19 -6.933 3.548 -9.577 1.00 0.00 C ATOM 312 C SER A 19 -5.497 4.060 -9.680 1.00 0.00 C ATOM 313 O SER A 19 -5.063 4.532 -10.731 1.00 0.00 O ATOM 314 CB SER A 19 -7.872 4.650 -9.081 1.00 0.00 C ATOM 315 OG SER A 19 -9.201 4.163 -8.965 1.00 0.00 O ATOM 0 H SER A 19 -7.462 2.577 -7.796 1.00 0.00 H new ATOM 0 HA SER A 19 -7.258 3.244 -10.572 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.529 5.019 -8.114 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.847 5.493 -9.771 1.00 0.00 H new ATOM 0 HG SER A 19 -9.260 3.553 -8.201 1.00 0.00 H new ATOM 321 N TRP A 20 -4.762 3.945 -8.580 1.00 0.00 N ATOM 322 CA TRP A 20 -3.344 4.285 -8.549 1.00 0.00 C ATOM 323 C TRP A 20 -2.555 3.341 -9.455 1.00 0.00 C ATOM 324 O TRP A 20 -1.717 3.774 -10.245 1.00 0.00 O ATOM 325 CB TRP A 20 -2.833 4.208 -7.104 1.00 0.00 C ATOM 326 CG TRP A 20 -1.347 4.337 -6.964 1.00 0.00 C ATOM 327 CD1 TRP A 20 -0.616 5.488 -6.993 1.00 0.00 C ATOM 328 CD2 TRP A 20 -0.411 3.271 -6.755 1.00 0.00 C ATOM 329 NE1 TRP A 20 0.717 5.204 -6.820 1.00 0.00 N ATOM 330 CE2 TRP A 20 0.867 3.849 -6.669 1.00 0.00 C ATOM 331 CE3 TRP A 20 -0.533 1.884 -6.633 1.00 0.00 C ATOM 332 CZ2 TRP A 20 2.017 3.089 -6.463 1.00 0.00 C ATOM 333 CZ3 TRP A 20 0.607 1.131 -6.429 1.00 0.00 C ATOM 334 CH2 TRP A 20 1.868 1.735 -6.346 1.00 0.00 C ATOM 0 H TRP A 20 -5.130 3.615 -7.688 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.205 5.301 -8.918 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.310 4.995 -6.521 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.145 3.257 -6.672 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -1.025 6.478 -7.132 1.00 0.00 H new ATOM 0 HE1 TRP A 20 1.472 5.889 -6.806 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -1.501 1.410 -6.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.990 3.553 -6.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 0.525 0.059 -6.332 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.740 1.119 -6.186 1.00 0.00 H new ATOM 345 N PHE A 21 -2.852 2.054 -9.340 1.00 0.00 N ATOM 346 CA PHE A 21 -2.229 1.018 -10.158 1.00 0.00 C ATOM 347 C PHE A 21 -2.421 1.301 -11.648 1.00 0.00 C ATOM 348 O PHE A 21 -1.485 1.174 -12.439 1.00 0.00 O ATOM 349 CB PHE A 21 -2.839 -0.340 -9.780 1.00 0.00 C ATOM 350 CG PHE A 21 -2.433 -1.493 -10.654 1.00 0.00 C ATOM 351 CD1 PHE A 21 -3.166 -1.812 -11.787 1.00 0.00 C ATOM 352 CD2 PHE A 21 -1.335 -2.272 -10.331 1.00 0.00 C ATOM 353 CE1 PHE A 21 -2.809 -2.880 -12.583 1.00 0.00 C ATOM 354 CE2 PHE A 21 -0.976 -3.347 -11.124 1.00 0.00 C ATOM 355 CZ PHE A 21 -1.713 -3.650 -12.251 1.00 0.00 C ATOM 0 H PHE A 21 -3.536 1.695 -8.673 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.156 1.006 -9.968 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.562 -0.570 -8.751 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.925 -0.251 -9.805 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.028 -1.216 -12.049 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.753 -2.038 -9.452 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.387 -3.114 -13.465 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.119 -3.949 -10.861 1.00 0.00 H new ATOM 0 HZ PHE A 21 -1.432 -4.488 -12.872 1.00 0.00 H new ATOM 365 N ALA A 22 -3.633 1.690 -12.019 1.00 0.00 N ATOM 366 CA ALA A 22 -3.963 1.947 -13.416 1.00 0.00 C ATOM 367 C ALA A 22 -3.313 3.232 -13.925 1.00 0.00 C ATOM 368 O ALA A 22 -2.908 3.310 -15.086 1.00 0.00 O ATOM 369 CB ALA A 22 -5.471 2.010 -13.599 1.00 0.00 C ATOM 0 H ALA A 22 -4.407 1.835 -11.371 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.565 1.121 -14.006 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.703 2.202 -14.647 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.914 1.061 -13.298 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.879 2.812 -12.984 1.00 0.00 H new ATOM 375 N THR A 23 -3.209 4.233 -13.058 1.00 0.00 N ATOM 376 CA THR A 23 -2.671 5.527 -13.457 1.00 0.00 C ATOM 377 C THR A 23 -1.145 5.534 -13.455 1.00 0.00 C ATOM 378 O THR A 23 -0.524 6.366 -14.118 1.00 0.00 O ATOM 379 CB THR A 23 -3.188 6.666 -12.549 1.00 0.00 C ATOM 380 OG1 THR A 23 -3.081 6.294 -11.169 1.00 0.00 O ATOM 381 CG2 THR A 23 -4.632 7.013 -12.871 1.00 0.00 C ATOM 0 H THR A 23 -3.489 4.174 -12.079 1.00 0.00 H new ATOM 0 HA THR A 23 -3.021 5.700 -14.475 1.00 0.00 H new ATOM 0 HB THR A 23 -2.570 7.544 -12.736 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.918 5.876 -10.877 1.00 0.00 H new ATOM 0 HG21 THR A 23 -4.968 7.817 -12.216 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.706 7.336 -13.909 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.260 6.135 -12.719 1.00 0.00 H new ATOM 389 N LYS A 24 -0.541 4.607 -12.724 1.00 0.00 N ATOM 390 CA LYS A 24 0.909 4.560 -12.607 1.00 0.00 C ATOM 391 C LYS A 24 1.495 3.451 -13.475 1.00 0.00 C ATOM 392 O LYS A 24 1.225 2.273 -13.263 1.00 0.00 O ATOM 393 CB LYS A 24 1.320 4.364 -11.146 1.00 0.00 C ATOM 394 CG LYS A 24 2.821 4.401 -10.929 1.00 0.00 C ATOM 395 CD LYS A 24 3.166 4.403 -9.453 1.00 0.00 C ATOM 396 CE LYS A 24 4.607 4.818 -9.208 1.00 0.00 C ATOM 397 NZ LYS A 24 5.577 3.898 -9.856 1.00 0.00 N ATOM 0 H LYS A 24 -1.032 3.879 -12.204 1.00 0.00 H new ATOM 0 HA LYS A 24 1.306 5.512 -12.960 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.854 5.140 -10.539 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.933 3.408 -10.793 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.281 3.538 -11.411 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.237 5.290 -11.403 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.498 5.083 -8.925 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.000 3.408 -9.040 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.761 5.829 -9.585 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.797 4.846 -8.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.515 4.346 -9.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.631 3.012 -9.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.264 3.691 -10.826 1.00 0.00 H new ATOM 411 N THR A 25 2.307 3.837 -14.446 1.00 0.00 N ATOM 412 CA THR A 25 2.933 2.881 -15.355 1.00 0.00 C ATOM 413 C THR A 25 4.453 2.999 -15.290 1.00 0.00 C ATOM 414 O THR A 25 5.168 2.608 -16.213 1.00 0.00 O ATOM 415 CB THR A 25 2.463 3.109 -16.804 1.00 0.00 C ATOM 416 OG1 THR A 25 2.649 4.482 -17.167 1.00 0.00 O ATOM 417 CG2 THR A 25 0.998 2.728 -16.971 1.00 0.00 C ATOM 0 H THR A 25 2.551 4.810 -14.628 1.00 0.00 H new ATOM 0 HA THR A 25 2.635 1.880 -15.042 1.00 0.00 H new ATOM 0 HB THR A 25 3.060 2.474 -17.459 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.350 4.620 -18.090 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.693 2.899 -18.003 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.865 1.675 -16.723 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.386 3.337 -16.306 1.00 0.00 H new ATOM 425 N THR A 26 4.935 3.529 -14.176 1.00 0.00 N ATOM 426 CA THR A 26 6.353 3.815 -13.994 1.00 0.00 C ATOM 427 C THR A 26 7.146 2.559 -13.623 1.00 0.00 C ATOM 428 O THR A 26 8.362 2.611 -13.445 1.00 0.00 O ATOM 429 CB THR A 26 6.525 4.864 -12.889 1.00 0.00 C ATOM 430 OG1 THR A 26 5.273 5.529 -12.669 1.00 0.00 O ATOM 431 CG2 THR A 26 7.586 5.888 -13.260 1.00 0.00 C ATOM 0 H THR A 26 4.356 3.773 -13.372 1.00 0.00 H new ATOM 0 HA THR A 26 6.740 4.191 -14.941 1.00 0.00 H new ATOM 0 HB THR A 26 6.847 4.356 -11.980 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.378 6.199 -11.962 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.684 6.618 -12.456 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.541 5.384 -13.411 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.295 6.397 -14.179 1.00 0.00 H new ATOM 439 N TRP A 27 6.449 1.441 -13.489 1.00 0.00 N ATOM 440 CA TRP A 27 7.093 0.176 -13.177 1.00 0.00 C ATOM 441 C TRP A 27 6.848 -0.822 -14.297 1.00 0.00 C ATOM 442 O TRP A 27 5.924 -0.650 -15.092 1.00 0.00 O ATOM 443 CB TRP A 27 6.587 -0.379 -11.842 1.00 0.00 C ATOM 444 CG TRP A 27 7.146 0.337 -10.645 1.00 0.00 C ATOM 445 CD1 TRP A 27 8.364 0.948 -10.554 1.00 0.00 C ATOM 446 CD2 TRP A 27 6.524 0.496 -9.362 1.00 0.00 C ATOM 447 NE1 TRP A 27 8.532 1.485 -9.303 1.00 0.00 N ATOM 448 CE2 TRP A 27 7.420 1.217 -8.550 1.00 0.00 C ATOM 449 CE3 TRP A 27 5.297 0.102 -8.822 1.00 0.00 C ATOM 450 CZ2 TRP A 27 7.127 1.549 -7.229 1.00 0.00 C ATOM 451 CZ3 TRP A 27 5.008 0.431 -7.509 1.00 0.00 C ATOM 452 CH2 TRP A 27 5.920 1.148 -6.726 1.00 0.00 C ATOM 0 H TRP A 27 5.436 1.385 -13.592 1.00 0.00 H new ATOM 0 HA TRP A 27 8.166 0.346 -13.085 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.499 -0.314 -11.819 1.00 0.00 H new ATOM 0 HB3 TRP A 27 6.844 -1.436 -11.776 1.00 0.00 H new ATOM 0 HD1 TRP A 27 9.090 1.001 -11.352 1.00 0.00 H new ATOM 0 HE1 TRP A 27 9.353 2.001 -8.985 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.586 -0.450 -9.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 7.828 2.104 -6.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.063 0.129 -7.082 1.00 0.00 H new ATOM 0 HH2 TRP A 27 5.666 1.389 -5.705 1.00 0.00 H new ATOM 463 N SER A 28 7.687 -1.845 -14.364 1.00 0.00 N ATOM 464 CA SER A 28 7.565 -2.873 -15.387 1.00 0.00 C ATOM 465 C SER A 28 6.246 -3.635 -15.256 1.00 0.00 C ATOM 466 O SER A 28 5.624 -3.636 -14.194 1.00 0.00 O ATOM 467 CB SER A 28 8.748 -3.831 -15.295 1.00 0.00 C ATOM 468 OG SER A 28 9.964 -3.150 -15.543 1.00 0.00 O ATOM 0 H SER A 28 8.464 -1.986 -13.718 1.00 0.00 H new ATOM 0 HA SER A 28 7.569 -2.389 -16.364 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.776 -4.288 -14.306 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.625 -4.639 -16.016 1.00 0.00 H new ATOM 0 HG SER A 28 10.711 -3.781 -15.478 1.00 0.00 H new ATOM 474 N GLU A 29 5.841 -4.294 -16.337 1.00 0.00 N ATOM 475 CA GLU A 29 4.533 -4.938 -16.420 1.00 0.00 C ATOM 476 C GLU A 29 4.375 -6.005 -15.334 1.00 0.00 C ATOM 477 O GLU A 29 3.437 -5.957 -14.535 1.00 0.00 O ATOM 478 CB GLU A 29 4.363 -5.555 -17.814 1.00 0.00 C ATOM 479 CG GLU A 29 2.943 -5.492 -18.368 1.00 0.00 C ATOM 480 CD GLU A 29 1.963 -6.364 -17.614 1.00 0.00 C ATOM 481 OE1 GLU A 29 2.097 -7.606 -17.677 1.00 0.00 O ATOM 482 OE2 GLU A 29 1.034 -5.815 -16.984 1.00 0.00 O ATOM 0 H GLU A 29 6.408 -4.397 -17.179 1.00 0.00 H new ATOM 0 HA GLU A 29 3.758 -4.189 -16.258 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.032 -5.045 -18.507 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.678 -6.598 -17.776 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.595 -4.459 -18.339 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.956 -5.795 -19.415 1.00 0.00 H new ATOM 489 N ASP A 30 5.309 -6.949 -15.291 1.00 0.00 N ATOM 490 CA ASP A 30 5.250 -8.039 -14.319 1.00 0.00 C ATOM 491 C ASP A 30 5.439 -7.519 -12.902 1.00 0.00 C ATOM 492 O ASP A 30 4.778 -7.981 -11.971 1.00 0.00 O ATOM 493 CB ASP A 30 6.303 -9.109 -14.625 1.00 0.00 C ATOM 494 CG ASP A 30 5.899 -10.027 -15.758 1.00 0.00 C ATOM 495 OD1 ASP A 30 5.902 -9.584 -16.925 1.00 0.00 O ATOM 496 OD2 ASP A 30 5.573 -11.203 -15.489 1.00 0.00 O ATOM 0 H ASP A 30 6.115 -6.983 -15.915 1.00 0.00 H new ATOM 0 HA ASP A 30 4.261 -8.491 -14.397 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.245 -8.622 -14.877 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.481 -9.703 -13.729 1.00 0.00 H new ATOM 501 N TYR A 31 6.343 -6.560 -12.739 1.00 0.00 N ATOM 502 CA TYR A 31 6.609 -5.976 -11.428 1.00 0.00 C ATOM 503 C TYR A 31 5.372 -5.258 -10.896 1.00 0.00 C ATOM 504 O TYR A 31 4.961 -5.490 -9.761 1.00 0.00 O ATOM 505 CB TYR A 31 7.797 -5.012 -11.489 1.00 0.00 C ATOM 506 CG TYR A 31 8.211 -4.481 -10.133 1.00 0.00 C ATOM 507 CD1 TYR A 31 8.670 -5.343 -9.145 1.00 0.00 C ATOM 508 CD2 TYR A 31 8.145 -3.124 -9.839 1.00 0.00 C ATOM 509 CE1 TYR A 31 9.052 -4.869 -7.904 1.00 0.00 C ATOM 510 CE2 TYR A 31 8.527 -2.641 -8.599 1.00 0.00 C ATOM 511 CZ TYR A 31 8.977 -3.520 -7.634 1.00 0.00 C ATOM 512 OH TYR A 31 9.362 -3.050 -6.398 1.00 0.00 O ATOM 0 H TYR A 31 6.904 -6.170 -13.497 1.00 0.00 H new ATOM 0 HA TYR A 31 6.860 -6.787 -10.745 1.00 0.00 H new ATOM 0 HB2 TYR A 31 8.645 -5.521 -11.946 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.542 -4.173 -12.137 1.00 0.00 H new ATOM 0 HD1 TYR A 31 8.729 -6.402 -9.350 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.790 -2.435 -10.591 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.408 -5.554 -7.149 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.473 -1.583 -8.388 1.00 0.00 H new ATOM 0 HH TYR A 31 8.638 -3.193 -5.754 1.00 0.00 H new ATOM 522 N GLN A 32 4.772 -4.410 -11.727 1.00 0.00 N ATOM 523 CA GLN A 32 3.566 -3.676 -11.349 1.00 0.00 C ATOM 524 C GLN A 32 2.452 -4.646 -10.957 1.00 0.00 C ATOM 525 O GLN A 32 1.773 -4.457 -9.945 1.00 0.00 O ATOM 526 CB GLN A 32 3.113 -2.780 -12.510 1.00 0.00 C ATOM 527 CG GLN A 32 1.850 -1.976 -12.236 1.00 0.00 C ATOM 528 CD GLN A 32 2.026 -0.913 -11.165 1.00 0.00 C ATOM 529 OE1 GLN A 32 2.835 -1.051 -10.252 1.00 0.00 O ATOM 530 NE2 GLN A 32 1.258 0.159 -11.269 1.00 0.00 N ATOM 0 H GLN A 32 5.103 -4.213 -12.672 1.00 0.00 H new ATOM 0 HA GLN A 32 3.792 -3.048 -10.487 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.921 -2.090 -12.756 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.948 -3.403 -13.389 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.526 -1.498 -13.160 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.054 -2.657 -11.933 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.597 0.240 -12.041 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.327 0.905 -10.577 1.00 0.00 H new ATOM 539 N ARG A 33 2.287 -5.694 -11.758 1.00 0.00 N ATOM 540 CA ARG A 33 1.314 -6.744 -11.470 1.00 0.00 C ATOM 541 C ARG A 33 1.581 -7.354 -10.095 1.00 0.00 C ATOM 542 O ARG A 33 0.665 -7.555 -9.297 1.00 0.00 O ATOM 543 CB ARG A 33 1.400 -7.840 -12.533 1.00 0.00 C ATOM 544 CG ARG A 33 0.327 -8.915 -12.415 1.00 0.00 C ATOM 545 CD ARG A 33 0.702 -10.146 -13.226 1.00 0.00 C ATOM 546 NE ARG A 33 1.183 -9.797 -14.560 1.00 0.00 N ATOM 547 CZ ARG A 33 2.334 -10.227 -15.075 1.00 0.00 C ATOM 548 NH1 ARG A 33 3.083 -11.102 -14.415 1.00 0.00 N ATOM 549 NH2 ARG A 33 2.730 -9.795 -16.264 1.00 0.00 N ATOM 0 H ARG A 33 2.818 -5.840 -12.617 1.00 0.00 H new ATOM 0 HA ARG A 33 0.317 -6.303 -11.479 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.330 -7.380 -13.519 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.380 -8.313 -12.471 1.00 0.00 H new ATOM 0 HG2 ARG A 33 0.195 -9.190 -11.369 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.628 -8.522 -12.764 1.00 0.00 H new ATOM 0 HD2 ARG A 33 1.473 -10.707 -12.698 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.165 -10.801 -13.313 1.00 0.00 H new ATOM 0 HE ARG A 33 0.601 -9.186 -15.133 1.00 0.00 H new ATOM 0 HH11 ARG A 33 2.779 -11.451 -13.506 1.00 0.00 H new ATOM 0 HH12 ARG A 33 3.963 -11.426 -14.817 1.00 0.00 H new ATOM 0 HH21 ARG A 33 2.154 -9.134 -16.784 1.00 0.00 H new ATOM 0 HH22 ARG A 33 3.611 -10.124 -16.659 1.00 0.00 H new ATOM 563 N SER A 34 2.852 -7.633 -9.828 1.00 0.00 N ATOM 564 CA SER A 34 3.258 -8.258 -8.580 1.00 0.00 C ATOM 565 C SER A 34 3.016 -7.329 -7.394 1.00 0.00 C ATOM 566 O SER A 34 2.641 -7.786 -6.317 1.00 0.00 O ATOM 567 CB SER A 34 4.731 -8.663 -8.651 1.00 0.00 C ATOM 568 OG SER A 34 4.964 -9.510 -9.765 1.00 0.00 O ATOM 0 H SER A 34 3.622 -7.433 -10.466 1.00 0.00 H new ATOM 0 HA SER A 34 2.652 -9.152 -8.433 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.355 -7.773 -8.728 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.018 -9.175 -7.732 1.00 0.00 H new ATOM 0 HG SER A 34 5.141 -8.964 -10.560 1.00 0.00 H new ATOM 574 N VAL A 35 3.221 -6.029 -7.600 1.00 0.00 N ATOM 575 CA VAL A 35 2.969 -5.038 -6.557 1.00 0.00 C ATOM 576 C VAL A 35 1.505 -5.077 -6.134 1.00 0.00 C ATOM 577 O VAL A 35 1.195 -5.096 -4.942 1.00 0.00 O ATOM 578 CB VAL A 35 3.333 -3.606 -7.019 1.00 0.00 C ATOM 579 CG1 VAL A 35 2.936 -2.578 -5.970 1.00 0.00 C ATOM 580 CG2 VAL A 35 4.821 -3.500 -7.322 1.00 0.00 C ATOM 0 H VAL A 35 3.561 -5.638 -8.479 1.00 0.00 H new ATOM 0 HA VAL A 35 3.606 -5.293 -5.710 1.00 0.00 H new ATOM 0 HB VAL A 35 2.776 -3.398 -7.932 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.203 -1.580 -6.319 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.860 -2.628 -5.801 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.460 -2.788 -5.038 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.055 -2.486 -7.645 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.393 -3.736 -6.425 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.082 -4.202 -8.114 1.00 0.00 H new ATOM 590 N TRP A 36 0.614 -5.118 -7.121 1.00 0.00 N ATOM 591 CA TRP A 36 -0.822 -5.158 -6.869 1.00 0.00 C ATOM 592 C TRP A 36 -1.199 -6.382 -6.039 1.00 0.00 C ATOM 593 O TRP A 36 -1.861 -6.266 -5.005 1.00 0.00 O ATOM 594 CB TRP A 36 -1.588 -5.155 -8.195 1.00 0.00 C ATOM 595 CG TRP A 36 -3.077 -5.212 -8.037 1.00 0.00 C ATOM 596 CD1 TRP A 36 -3.919 -6.158 -8.544 1.00 0.00 C ATOM 597 CD2 TRP A 36 -3.899 -4.289 -7.312 1.00 0.00 C ATOM 598 NE1 TRP A 36 -5.214 -5.873 -8.188 1.00 0.00 N ATOM 599 CE2 TRP A 36 -5.227 -4.736 -7.427 1.00 0.00 C ATOM 600 CE3 TRP A 36 -3.641 -3.128 -6.577 1.00 0.00 C ATOM 601 CZ2 TRP A 36 -6.293 -4.064 -6.837 1.00 0.00 C ATOM 602 CZ3 TRP A 36 -4.700 -2.464 -5.990 1.00 0.00 C ATOM 603 CH2 TRP A 36 -6.011 -2.934 -6.123 1.00 0.00 C ATOM 0 H TRP A 36 0.865 -5.124 -8.110 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.095 -4.269 -6.300 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.326 -4.256 -8.752 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.263 -6.007 -8.793 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.612 -7.006 -9.138 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.034 -6.421 -8.449 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.632 -2.757 -6.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.306 -4.423 -6.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.513 -1.567 -5.419 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.817 -2.392 -5.651 1.00 0.00 H new ATOM 614 N THR A 37 -0.763 -7.552 -6.487 1.00 0.00 N ATOM 615 CA THR A 37 -1.037 -8.789 -5.775 1.00 0.00 C ATOM 616 C THR A 37 -0.403 -8.770 -4.383 1.00 0.00 C ATOM 617 O THR A 37 -1.007 -9.216 -3.408 1.00 0.00 O ATOM 618 CB THR A 37 -0.512 -9.999 -6.569 1.00 0.00 C ATOM 619 OG1 THR A 37 -0.999 -9.937 -7.915 1.00 0.00 O ATOM 620 CG2 THR A 37 -0.956 -11.305 -5.931 1.00 0.00 C ATOM 0 H THR A 37 -0.218 -7.668 -7.341 1.00 0.00 H new ATOM 0 HA THR A 37 -2.118 -8.878 -5.665 1.00 0.00 H new ATOM 0 HB THR A 37 0.577 -9.965 -6.565 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.457 -9.303 -8.430 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.571 -12.143 -6.512 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.571 -11.362 -4.913 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.045 -11.348 -5.910 1.00 0.00 H new ATOM 628 N ARG A 38 0.804 -8.221 -4.296 1.00 0.00 N ATOM 629 CA ARG A 38 1.531 -8.137 -3.032 1.00 0.00 C ATOM 630 C ARG A 38 0.777 -7.261 -2.035 1.00 0.00 C ATOM 631 O ARG A 38 0.776 -7.531 -0.831 1.00 0.00 O ATOM 632 CB ARG A 38 2.940 -7.596 -3.281 1.00 0.00 C ATOM 633 CG ARG A 38 3.824 -7.557 -2.047 1.00 0.00 C ATOM 634 CD ARG A 38 5.288 -7.440 -2.429 1.00 0.00 C ATOM 635 NE ARG A 38 5.732 -8.596 -3.204 1.00 0.00 N ATOM 636 CZ ARG A 38 6.975 -8.770 -3.649 1.00 0.00 C ATOM 637 NH1 ARG A 38 7.901 -7.845 -3.432 1.00 0.00 N ATOM 638 NH2 ARG A 38 7.284 -9.869 -4.321 1.00 0.00 N ATOM 0 H ARG A 38 1.304 -7.824 -5.092 1.00 0.00 H new ATOM 0 HA ARG A 38 1.612 -9.135 -2.602 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.423 -8.211 -4.040 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.862 -6.588 -3.689 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.540 -6.713 -1.419 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.670 -8.460 -1.456 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.442 -6.530 -3.009 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.894 -7.350 -1.528 1.00 0.00 H new ATOM 0 HE ARG A 38 5.044 -9.318 -3.419 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.663 -6.995 -2.922 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.851 -7.984 -3.775 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.571 -10.577 -4.496 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.235 -10.007 -4.664 1.00 0.00 H new ATOM 652 N LEU A 39 0.119 -6.228 -2.544 1.00 0.00 N ATOM 653 CA LEU A 39 -0.724 -5.381 -1.714 1.00 0.00 C ATOM 654 C LEU A 39 -1.867 -6.200 -1.131 1.00 0.00 C ATOM 655 O LEU A 39 -2.144 -6.132 0.067 1.00 0.00 O ATOM 656 CB LEU A 39 -1.281 -4.208 -2.525 1.00 0.00 C ATOM 657 CG LEU A 39 -0.240 -3.214 -3.042 1.00 0.00 C ATOM 658 CD1 LEU A 39 -0.899 -2.172 -3.929 1.00 0.00 C ATOM 659 CD2 LEU A 39 0.481 -2.545 -1.881 1.00 0.00 C ATOM 0 H LEU A 39 0.153 -5.957 -3.527 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.118 -4.980 -0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.832 -4.607 -3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.998 -3.668 -1.906 1.00 0.00 H new ATOM 0 HG LEU A 39 0.494 -3.759 -3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.145 -1.472 -4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.373 -2.664 -4.778 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.653 -1.631 -3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.218 -1.841 -2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.241 -2.011 -1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.983 -3.303 -1.280 1.00 0.00 H new ATOM 671 N GLU A 40 -2.511 -6.997 -1.980 1.00 0.00 N ATOM 672 CA GLU A 40 -3.615 -7.844 -1.548 1.00 0.00 C ATOM 673 C GLU A 40 -3.144 -8.891 -0.542 1.00 0.00 C ATOM 674 O GLU A 40 -3.900 -9.297 0.341 1.00 0.00 O ATOM 675 CB GLU A 40 -4.280 -8.533 -2.744 1.00 0.00 C ATOM 676 CG GLU A 40 -4.994 -7.577 -3.685 1.00 0.00 C ATOM 677 CD GLU A 40 -5.845 -8.298 -4.713 1.00 0.00 C ATOM 678 OE1 GLU A 40 -6.789 -9.014 -4.309 1.00 0.00 O ATOM 679 OE2 GLU A 40 -5.581 -8.156 -5.925 1.00 0.00 O ATOM 0 H GLU A 40 -2.286 -7.073 -2.972 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.349 -7.201 -1.063 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.521 -9.080 -3.304 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.996 -9.268 -2.376 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.625 -6.904 -3.104 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.257 -6.959 -4.198 1.00 0.00 H new ATOM 686 N THR A 41 -1.895 -9.319 -0.676 1.00 0.00 N ATOM 687 CA THR A 41 -1.329 -10.319 0.215 1.00 0.00 C ATOM 688 C THR A 41 -1.078 -9.760 1.617 1.00 0.00 C ATOM 689 O THR A 41 -1.527 -10.336 2.608 1.00 0.00 O ATOM 690 CB THR A 41 0.004 -10.877 -0.338 1.00 0.00 C ATOM 691 OG1 THR A 41 -0.168 -11.319 -1.689 1.00 0.00 O ATOM 692 CG2 THR A 41 0.505 -12.039 0.511 1.00 0.00 C ATOM 0 H THR A 41 -1.254 -8.987 -1.397 1.00 0.00 H new ATOM 0 HA THR A 41 -2.065 -11.120 0.277 1.00 0.00 H new ATOM 0 HB THR A 41 0.741 -10.075 -0.305 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.396 -10.554 -2.257 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.443 -12.412 0.100 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.667 -11.699 1.534 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.236 -12.838 0.507 1.00 0.00 H new ATOM 700 N TYR A 42 -0.377 -8.634 1.700 1.00 0.00 N ATOM 701 CA TYR A 42 0.137 -8.159 2.984 1.00 0.00 C ATOM 702 C TYR A 42 -0.652 -6.981 3.565 1.00 0.00 C ATOM 703 O TYR A 42 -0.766 -6.857 4.782 1.00 0.00 O ATOM 704 CB TYR A 42 1.608 -7.760 2.843 1.00 0.00 C ATOM 705 CG TYR A 42 2.515 -8.902 2.442 1.00 0.00 C ATOM 706 CD1 TYR A 42 2.990 -9.804 3.384 1.00 0.00 C ATOM 707 CD2 TYR A 42 2.896 -9.077 1.117 1.00 0.00 C ATOM 708 CE1 TYR A 42 3.817 -10.848 3.017 1.00 0.00 C ATOM 709 CE2 TYR A 42 3.721 -10.118 0.743 1.00 0.00 C ATOM 710 CZ TYR A 42 4.179 -11.000 1.695 1.00 0.00 C ATOM 711 OH TYR A 42 5.000 -12.039 1.324 1.00 0.00 O ATOM 0 H TYR A 42 -0.152 -8.037 0.904 1.00 0.00 H new ATOM 0 HA TYR A 42 0.025 -8.990 3.681 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.690 -6.966 2.101 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.955 -7.348 3.790 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.709 -9.688 4.420 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.540 -8.386 0.367 1.00 0.00 H new ATOM 0 HE1 TYR A 42 4.178 -11.542 3.762 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.006 -10.240 -0.292 1.00 0.00 H new ATOM 0 HH TYR A 42 5.157 -12.003 0.357 1.00 0.00 H new ATOM 721 N LEU A 43 -1.197 -6.126 2.714 1.00 0.00 N ATOM 722 CA LEU A 43 -1.768 -4.866 3.188 1.00 0.00 C ATOM 723 C LEU A 43 -3.300 -4.896 3.182 1.00 0.00 C ATOM 724 O LEU A 43 -3.943 -4.446 4.132 1.00 0.00 O ATOM 725 CB LEU A 43 -1.255 -3.718 2.319 1.00 0.00 C ATOM 726 CG LEU A 43 -1.371 -2.330 2.940 1.00 0.00 C ATOM 727 CD1 LEU A 43 -0.471 -2.207 4.161 1.00 0.00 C ATOM 728 CD2 LEU A 43 -1.029 -1.266 1.913 1.00 0.00 C ATOM 0 H LEU A 43 -1.258 -6.273 1.707 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.453 -4.716 4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.208 -3.905 2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.803 -3.724 1.377 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.401 -2.182 3.265 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.570 -1.209 4.587 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.762 -2.949 4.904 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.565 -2.375 3.868 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.116 -0.280 2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.008 -1.415 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.717 -1.338 1.071 1.00 0.00 H new ATOM 740 N PHE A 44 -3.870 -5.443 2.117 1.00 0.00 N ATOM 741 CA PHE A 44 -5.325 -5.501 1.941 1.00 0.00 C ATOM 742 C PHE A 44 -6.081 -6.281 3.039 1.00 0.00 C ATOM 743 O PHE A 44 -7.214 -5.920 3.337 1.00 0.00 O ATOM 744 CB PHE A 44 -5.674 -6.082 0.571 1.00 0.00 C ATOM 745 CG PHE A 44 -5.655 -5.071 -0.545 1.00 0.00 C ATOM 746 CD1 PHE A 44 -4.626 -4.148 -0.655 1.00 0.00 C ATOM 747 CD2 PHE A 44 -6.671 -5.048 -1.486 1.00 0.00 C ATOM 748 CE1 PHE A 44 -4.612 -3.224 -1.680 1.00 0.00 C ATOM 749 CE2 PHE A 44 -6.661 -4.126 -2.514 1.00 0.00 C ATOM 750 CZ PHE A 44 -5.631 -3.213 -2.612 1.00 0.00 C ATOM 0 H PHE A 44 -3.343 -5.860 1.349 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.660 -4.467 2.021 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.970 -6.881 0.336 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.664 -6.534 0.621 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.826 -4.152 0.070 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.480 -5.759 -1.415 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.805 -2.510 -1.753 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.459 -4.120 -3.241 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.622 -2.492 -3.416 1.00 0.00 H new ATOM 760 N PRO A 45 -5.513 -7.366 3.637 1.00 0.00 N ATOM 761 CA PRO A 45 -6.188 -8.128 4.704 1.00 0.00 C ATOM 762 C PRO A 45 -6.942 -7.260 5.719 1.00 0.00 C ATOM 763 O PRO A 45 -8.062 -7.591 6.113 1.00 0.00 O ATOM 764 CB PRO A 45 -5.031 -8.845 5.385 1.00 0.00 C ATOM 765 CG PRO A 45 -4.065 -9.112 4.288 1.00 0.00 C ATOM 766 CD PRO A 45 -4.204 -7.972 3.310 1.00 0.00 C ATOM 0 HA PRO A 45 -6.960 -8.778 4.294 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.585 -8.228 6.166 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.360 -9.770 5.859 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.047 -9.171 4.673 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -4.279 -10.066 3.806 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.394 -7.252 3.421 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.176 -8.326 2.280 1.00 0.00 H new ATOM 774 N ASP A 46 -6.339 -6.151 6.127 1.00 0.00 N ATOM 775 CA ASP A 46 -6.940 -5.286 7.140 1.00 0.00 C ATOM 776 C ASP A 46 -7.719 -4.125 6.524 1.00 0.00 C ATOM 777 O ASP A 46 -8.890 -3.915 6.845 1.00 0.00 O ATOM 778 CB ASP A 46 -5.868 -4.745 8.089 1.00 0.00 C ATOM 779 CG ASP A 46 -5.520 -5.726 9.192 1.00 0.00 C ATOM 780 OD1 ASP A 46 -4.840 -6.736 8.912 1.00 0.00 O ATOM 781 OD2 ASP A 46 -5.928 -5.491 10.350 1.00 0.00 O ATOM 0 H ASP A 46 -5.438 -5.828 5.775 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.647 -5.899 7.700 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -4.969 -4.509 7.520 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.217 -3.813 8.533 1.00 0.00 H new ATOM 786 N ILE A 47 -7.076 -3.375 5.636 1.00 0.00 N ATOM 787 CA ILE A 47 -7.680 -2.163 5.076 1.00 0.00 C ATOM 788 C ILE A 47 -8.620 -2.459 3.906 1.00 0.00 C ATOM 789 O ILE A 47 -9.231 -1.546 3.346 1.00 0.00 O ATOM 790 CB ILE A 47 -6.606 -1.166 4.609 1.00 0.00 C ATOM 791 CG1 ILE A 47 -5.679 -1.830 3.595 1.00 0.00 C ATOM 792 CG2 ILE A 47 -5.817 -0.633 5.796 1.00 0.00 C ATOM 793 CD1 ILE A 47 -4.509 -0.968 3.189 1.00 0.00 C ATOM 0 H ILE A 47 -6.140 -3.580 5.287 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.264 -1.724 5.885 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.098 -0.322 4.126 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.303 -2.763 4.016 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.254 -2.090 2.706 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.062 0.071 5.445 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.493 -0.126 6.484 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.330 -1.461 6.310 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.894 -1.505 2.467 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.876 -0.046 2.738 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.911 -0.729 4.068 1.00 0.00 H new ATOM 805 N GLY A 48 -8.726 -3.726 3.537 1.00 0.00 N ATOM 806 CA GLY A 48 -9.607 -4.126 2.456 1.00 0.00 C ATOM 807 C GLY A 48 -11.049 -3.742 2.714 1.00 0.00 C ATOM 808 O GLY A 48 -11.644 -4.179 3.699 1.00 0.00 O ATOM 0 H GLY A 48 -8.212 -4.493 3.971 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.271 -3.664 1.528 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.541 -5.205 2.317 1.00 0.00 H new ATOM 812 N ASN A 49 -11.590 -2.893 1.842 1.00 0.00 N ATOM 813 CA ASN A 49 -12.968 -2.401 1.955 1.00 0.00 C ATOM 814 C ASN A 49 -13.175 -1.571 3.216 1.00 0.00 C ATOM 815 O ASN A 49 -14.309 -1.278 3.593 1.00 0.00 O ATOM 816 CB ASN A 49 -13.982 -3.549 1.915 1.00 0.00 C ATOM 817 CG ASN A 49 -14.219 -4.056 0.509 1.00 0.00 C ATOM 818 OD1 ASN A 49 -14.109 -3.305 -0.463 1.00 0.00 O ATOM 819 ND2 ASN A 49 -14.556 -5.329 0.389 1.00 0.00 N ATOM 0 H ASN A 49 -11.087 -2.524 1.035 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.136 -1.758 1.091 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.625 -4.368 2.539 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.927 -3.212 2.341 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -14.736 -5.724 -0.534 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -14.636 -5.916 1.219 1.00 0.00 H new ATOM 826 N LYS A 50 -12.088 -1.180 3.859 1.00 0.00 N ATOM 827 CA LYS A 50 -12.181 -0.324 5.024 1.00 0.00 C ATOM 828 C LYS A 50 -11.962 1.113 4.588 1.00 0.00 C ATOM 829 O LYS A 50 -11.026 1.400 3.837 1.00 0.00 O ATOM 830 CB LYS A 50 -11.161 -0.733 6.093 1.00 0.00 C ATOM 831 CG LYS A 50 -11.419 -0.113 7.459 1.00 0.00 C ATOM 832 CD LYS A 50 -10.502 -0.703 8.519 1.00 0.00 C ATOM 833 CE LYS A 50 -10.879 -0.235 9.918 1.00 0.00 C ATOM 834 NZ LYS A 50 -10.725 1.235 10.087 1.00 0.00 N ATOM 0 H LYS A 50 -11.138 -1.441 3.595 1.00 0.00 H new ATOM 0 HA LYS A 50 -13.170 -0.425 5.470 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.167 -1.819 6.190 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.164 -0.448 5.758 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.269 0.965 7.405 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.459 -0.276 7.744 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.549 -1.791 8.475 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.471 -0.419 8.306 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.912 -0.515 10.126 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.256 -0.749 10.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.552 1.615 10.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.864 1.433 10.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.652 1.686 9.153 1.00 0.00 H new ATOM 848 N ASP A 51 -12.844 2.000 5.026 1.00 0.00 N ATOM 849 CA ASP A 51 -12.766 3.403 4.651 1.00 0.00 C ATOM 850 C ASP A 51 -11.434 3.985 5.101 1.00 0.00 C ATOM 851 O ASP A 51 -11.067 3.897 6.275 1.00 0.00 O ATOM 852 CB ASP A 51 -13.923 4.187 5.268 1.00 0.00 C ATOM 853 CG ASP A 51 -14.091 5.565 4.659 1.00 0.00 C ATOM 854 OD1 ASP A 51 -13.128 6.360 4.675 1.00 0.00 O ATOM 855 OD2 ASP A 51 -15.194 5.855 4.145 1.00 0.00 O ATOM 0 H ASP A 51 -13.623 1.771 5.643 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.839 3.481 3.566 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -14.847 3.623 5.140 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -13.757 4.287 6.341 1.00 0.00 H new ATOM 860 N ILE A 52 -10.715 4.567 4.159 1.00 0.00 N ATOM 861 CA ILE A 52 -9.377 5.066 4.415 1.00 0.00 C ATOM 862 C ILE A 52 -9.405 6.278 5.348 1.00 0.00 C ATOM 863 O ILE A 52 -8.418 6.592 6.012 1.00 0.00 O ATOM 864 CB ILE A 52 -8.683 5.427 3.088 1.00 0.00 C ATOM 865 CG1 ILE A 52 -7.179 5.588 3.292 1.00 0.00 C ATOM 866 CG2 ILE A 52 -9.284 6.699 2.504 1.00 0.00 C ATOM 867 CD1 ILE A 52 -6.401 5.660 2.002 1.00 0.00 C ATOM 0 H ILE A 52 -11.039 4.706 3.202 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.811 4.277 4.910 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.845 4.612 2.382 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.994 6.493 3.870 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.809 4.751 3.884 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.783 6.941 1.567 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.347 6.547 2.319 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -9.152 7.520 3.208 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.340 5.774 2.223 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.556 4.744 1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.744 6.514 1.418 1.00 0.00 H new ATOM 879 N ALA A 53 -10.549 6.943 5.410 1.00 0.00 N ATOM 880 CA ALA A 53 -10.713 8.095 6.284 1.00 0.00 C ATOM 881 C ALA A 53 -10.963 7.648 7.718 1.00 0.00 C ATOM 882 O ALA A 53 -10.971 8.459 8.640 1.00 0.00 O ATOM 883 CB ALA A 53 -11.843 8.989 5.799 1.00 0.00 C ATOM 0 H ALA A 53 -11.378 6.705 4.865 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.789 8.673 6.258 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.945 9.842 6.469 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.621 9.343 4.792 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.775 8.424 5.787 1.00 0.00 H new ATOM 889 N GLU A 54 -11.169 6.351 7.899 1.00 0.00 N ATOM 890 CA GLU A 54 -11.325 5.783 9.230 1.00 0.00 C ATOM 891 C GLU A 54 -9.995 5.227 9.719 1.00 0.00 C ATOM 892 O GLU A 54 -9.862 4.818 10.872 1.00 0.00 O ATOM 893 CB GLU A 54 -12.364 4.661 9.230 1.00 0.00 C ATOM 894 CG GLU A 54 -13.745 5.084 8.769 1.00 0.00 C ATOM 895 CD GLU A 54 -14.743 3.949 8.861 1.00 0.00 C ATOM 896 OE1 GLU A 54 -14.673 3.016 8.038 1.00 0.00 O ATOM 897 OE2 GLU A 54 -15.585 3.967 9.778 1.00 0.00 O ATOM 0 H GLU A 54 -11.232 5.672 7.140 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.663 6.578 9.895 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.011 3.856 8.586 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.440 4.253 10.238 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -14.090 5.921 9.376 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.692 5.438 7.739 1.00 0.00 H new ATOM 904 N LEU A 55 -9.012 5.209 8.831 1.00 0.00 N ATOM 905 CA LEU A 55 -7.723 4.611 9.137 1.00 0.00 C ATOM 906 C LEU A 55 -6.825 5.579 9.898 1.00 0.00 C ATOM 907 O LEU A 55 -6.624 6.725 9.488 1.00 0.00 O ATOM 908 CB LEU A 55 -7.027 4.144 7.856 1.00 0.00 C ATOM 909 CG LEU A 55 -7.770 3.064 7.065 1.00 0.00 C ATOM 910 CD1 LEU A 55 -6.999 2.704 5.807 1.00 0.00 C ATOM 911 CD2 LEU A 55 -7.992 1.825 7.920 1.00 0.00 C ATOM 0 H LEU A 55 -9.083 5.602 7.893 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.906 3.747 9.776 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.877 5.007 7.208 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.039 3.765 8.116 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.743 3.461 6.777 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.540 1.935 5.256 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.890 3.590 5.181 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.013 2.328 6.080 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.522 1.071 7.338 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.029 1.426 8.240 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.584 2.089 8.796 1.00 0.00 H new ATOM 923 N ASP A 56 -6.321 5.110 11.025 1.00 0.00 N ATOM 924 CA ASP A 56 -5.325 5.837 11.795 1.00 0.00 C ATOM 925 C ASP A 56 -3.945 5.257 11.501 1.00 0.00 C ATOM 926 O ASP A 56 -3.838 4.204 10.864 1.00 0.00 O ATOM 927 CB ASP A 56 -5.655 5.736 13.295 1.00 0.00 C ATOM 928 CG ASP A 56 -4.543 6.249 14.193 1.00 0.00 C ATOM 929 OD1 ASP A 56 -4.232 7.455 14.137 1.00 0.00 O ATOM 930 OD2 ASP A 56 -3.969 5.444 14.958 1.00 0.00 O ATOM 0 H ASP A 56 -6.590 4.215 11.433 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.331 6.890 11.514 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.565 6.300 13.498 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.863 4.695 13.545 1.00 0.00 H new ATOM 935 N THR A 57 -2.899 5.942 11.947 1.00 0.00 N ATOM 936 CA THR A 57 -1.544 5.427 11.839 1.00 0.00 C ATOM 937 C THR A 57 -1.478 4.016 12.427 1.00 0.00 C ATOM 938 O THR A 57 -0.831 3.132 11.874 1.00 0.00 O ATOM 939 CB THR A 57 -0.549 6.346 12.577 1.00 0.00 C ATOM 940 OG1 THR A 57 -0.816 7.715 12.241 1.00 0.00 O ATOM 941 CG2 THR A 57 0.891 6.005 12.210 1.00 0.00 C ATOM 0 H THR A 57 -2.966 6.859 12.388 1.00 0.00 H new ATOM 0 HA THR A 57 -1.269 5.396 10.785 1.00 0.00 H new ATOM 0 HB THR A 57 -0.676 6.194 13.649 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.184 8.297 12.712 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.570 6.669 12.745 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.102 4.972 12.486 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.032 6.130 11.136 1.00 0.00 H new ATOM 949 N GLY A 58 -2.200 3.809 13.529 1.00 0.00 N ATOM 950 CA GLY A 58 -2.246 2.507 14.163 1.00 0.00 C ATOM 951 C GLY A 58 -2.859 1.446 13.270 1.00 0.00 C ATOM 952 O GLY A 58 -2.338 0.336 13.182 1.00 0.00 O ATOM 0 H GLY A 58 -2.756 4.527 13.993 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.236 2.205 14.439 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.821 2.576 15.086 1.00 0.00 H new ATOM 956 N ASP A 59 -3.956 1.797 12.596 1.00 0.00 N ATOM 957 CA ASP A 59 -4.635 0.877 11.673 1.00 0.00 C ATOM 958 C ASP A 59 -3.661 0.314 10.657 1.00 0.00 C ATOM 959 O ASP A 59 -3.635 -0.886 10.398 1.00 0.00 O ATOM 960 CB ASP A 59 -5.764 1.585 10.909 1.00 0.00 C ATOM 961 CG ASP A 59 -7.028 1.778 11.717 1.00 0.00 C ATOM 962 OD1 ASP A 59 -7.132 2.798 12.428 1.00 0.00 O ATOM 963 OD2 ASP A 59 -7.940 0.929 11.613 1.00 0.00 O ATOM 0 H ASP A 59 -4.396 2.714 12.671 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.051 0.072 12.280 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.407 2.559 10.574 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.001 1.008 10.015 1.00 0.00 H new ATOM 968 N LEU A 60 -2.861 1.198 10.088 1.00 0.00 N ATOM 969 CA LEU A 60 -1.930 0.831 9.034 1.00 0.00 C ATOM 970 C LEU A 60 -0.675 0.176 9.601 1.00 0.00 C ATOM 971 O LEU A 60 -0.081 -0.707 8.972 1.00 0.00 O ATOM 972 CB LEU A 60 -1.572 2.075 8.228 1.00 0.00 C ATOM 973 CG LEU A 60 -2.761 2.738 7.533 1.00 0.00 C ATOM 974 CD1 LEU A 60 -2.423 4.162 7.134 1.00 0.00 C ATOM 975 CD2 LEU A 60 -3.175 1.927 6.316 1.00 0.00 C ATOM 0 H LEU A 60 -2.837 2.186 10.341 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.408 0.099 8.383 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.103 2.801 8.892 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.831 1.805 7.476 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.597 2.771 8.232 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.283 4.616 6.641 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.169 4.739 8.023 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.574 4.157 6.450 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.023 2.409 5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.341 1.868 5.617 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.459 0.922 6.628 1.00 0.00 H new ATOM 987 N LEU A 61 -0.283 0.594 10.798 1.00 0.00 N ATOM 988 CA LEU A 61 0.891 0.032 11.448 1.00 0.00 C ATOM 989 C LEU A 61 0.684 -1.434 11.795 1.00 0.00 C ATOM 990 O LEU A 61 1.651 -2.172 11.930 1.00 0.00 O ATOM 991 CB LEU A 61 1.266 0.817 12.709 1.00 0.00 C ATOM 992 CG LEU A 61 1.904 2.186 12.465 1.00 0.00 C ATOM 993 CD1 LEU A 61 2.264 2.844 13.786 1.00 0.00 C ATOM 994 CD2 LEU A 61 3.139 2.058 11.582 1.00 0.00 C ATOM 0 H LEU A 61 -0.760 1.318 11.336 1.00 0.00 H new ATOM 0 HA LEU A 61 1.713 0.109 10.736 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.368 0.956 13.310 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.955 0.214 13.300 1.00 0.00 H new ATOM 0 HG LEU A 61 1.178 2.814 11.948 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.717 3.817 13.596 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.363 2.974 14.385 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.971 2.214 14.326 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.576 3.044 11.422 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.869 1.412 12.069 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.857 1.626 10.622 1.00 0.00 H new ATOM 1006 N VAL A 62 -0.568 -1.864 11.938 1.00 0.00 N ATOM 1007 CA VAL A 62 -0.844 -3.264 12.247 1.00 0.00 C ATOM 1008 C VAL A 62 -0.311 -4.191 11.143 1.00 0.00 C ATOM 1009 O VAL A 62 0.544 -5.031 11.420 1.00 0.00 O ATOM 1010 CB VAL A 62 -2.344 -3.546 12.494 1.00 0.00 C ATOM 1011 CG1 VAL A 62 -2.553 -5.009 12.846 1.00 0.00 C ATOM 1012 CG2 VAL A 62 -2.892 -2.655 13.598 1.00 0.00 C ATOM 0 H VAL A 62 -1.395 -1.274 11.847 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.319 -3.474 13.179 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.887 -3.322 11.576 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.613 -5.194 13.017 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.204 -5.634 12.024 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.992 -5.250 13.749 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.949 -2.874 13.751 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.345 -2.842 14.522 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.776 -1.609 13.313 1.00 0.00 H new ATOM 1022 N PRO A 63 -0.790 -4.058 9.883 1.00 0.00 N ATOM 1023 CA PRO A 63 -0.272 -4.851 8.759 1.00 0.00 C ATOM 1024 C PRO A 63 1.238 -4.700 8.589 1.00 0.00 C ATOM 1025 O PRO A 63 1.940 -5.682 8.355 1.00 0.00 O ATOM 1026 CB PRO A 63 -1.007 -4.284 7.539 1.00 0.00 C ATOM 1027 CG PRO A 63 -2.247 -3.677 8.090 1.00 0.00 C ATOM 1028 CD PRO A 63 -1.884 -3.164 9.454 1.00 0.00 C ATOM 0 HA PRO A 63 -0.438 -5.918 8.910 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.400 -3.542 7.021 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.237 -5.067 6.817 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.603 -2.869 7.451 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.049 -4.413 8.150 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.560 -2.124 9.418 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.731 -3.211 10.138 1.00 0.00 H new ATOM 1036 N ILE A 64 1.737 -3.473 8.722 1.00 0.00 N ATOM 1037 CA ILE A 64 3.174 -3.214 8.602 1.00 0.00 C ATOM 1038 C ILE A 64 3.955 -3.983 9.673 1.00 0.00 C ATOM 1039 O ILE A 64 4.897 -4.717 9.367 1.00 0.00 O ATOM 1040 CB ILE A 64 3.485 -1.707 8.722 1.00 0.00 C ATOM 1041 CG1 ILE A 64 2.726 -0.922 7.649 1.00 0.00 C ATOM 1042 CG2 ILE A 64 4.986 -1.461 8.605 1.00 0.00 C ATOM 1043 CD1 ILE A 64 2.811 0.579 7.818 1.00 0.00 C ATOM 0 H ILE A 64 1.173 -2.645 8.912 1.00 0.00 H new ATOM 0 HA ILE A 64 3.484 -3.556 7.615 1.00 0.00 H new ATOM 0 HB ILE A 64 3.157 -1.361 9.702 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.119 -1.191 6.669 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.678 -1.222 7.665 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.188 -0.393 8.692 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.505 -1.994 9.401 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.339 -1.819 7.638 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.250 1.067 7.021 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.391 0.861 8.783 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.854 0.892 7.771 1.00 0.00 H new ATOM 1055 N LYS A 65 3.532 -3.819 10.922 1.00 0.00 N ATOM 1056 CA LYS A 65 4.146 -4.498 12.059 1.00 0.00 C ATOM 1057 C LYS A 65 4.061 -6.012 11.889 1.00 0.00 C ATOM 1058 O LYS A 65 4.983 -6.747 12.246 1.00 0.00 O ATOM 1059 CB LYS A 65 3.430 -4.068 13.342 1.00 0.00 C ATOM 1060 CG LYS A 65 3.974 -4.694 14.608 1.00 0.00 C ATOM 1061 CD LYS A 65 3.227 -4.205 15.841 1.00 0.00 C ATOM 1062 CE LYS A 65 1.874 -4.882 16.014 1.00 0.00 C ATOM 1063 NZ LYS A 65 0.878 -4.451 14.995 1.00 0.00 N ATOM 0 H LYS A 65 2.753 -3.211 11.175 1.00 0.00 H new ATOM 0 HA LYS A 65 5.199 -4.223 12.117 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.494 -2.984 13.432 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.373 -4.319 13.254 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.895 -5.779 14.541 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.033 -4.457 14.706 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.836 -4.388 16.726 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.083 -3.127 15.770 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.003 -5.963 15.954 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.487 -4.662 17.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.049 -4.320 15.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.184 -3.554 14.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.801 -5.178 14.255 1.00 0.00 H new ATOM 1077 N LYS A 66 2.941 -6.459 11.335 1.00 0.00 N ATOM 1078 CA LYS A 66 2.720 -7.869 11.047 1.00 0.00 C ATOM 1079 C LYS A 66 3.810 -8.418 10.131 1.00 0.00 C ATOM 1080 O LYS A 66 4.337 -9.502 10.367 1.00 0.00 O ATOM 1081 CB LYS A 66 1.346 -8.053 10.399 1.00 0.00 C ATOM 1082 CG LYS A 66 1.024 -9.487 10.025 1.00 0.00 C ATOM 1083 CD LYS A 66 -0.280 -9.569 9.253 1.00 0.00 C ATOM 1084 CE LYS A 66 -0.571 -10.987 8.801 1.00 0.00 C ATOM 1085 NZ LYS A 66 -1.788 -11.053 7.955 1.00 0.00 N ATOM 0 H LYS A 66 2.162 -5.855 11.073 1.00 0.00 H new ATOM 0 HA LYS A 66 2.756 -8.424 11.985 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.581 -7.687 11.084 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.293 -7.435 9.503 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.833 -9.900 9.423 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.955 -10.095 10.927 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.097 -9.211 9.879 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.232 -8.912 8.385 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.282 -11.374 8.243 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.698 -11.628 9.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.956 -12.037 7.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.606 -10.707 8.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.656 -10.461 7.110 1.00 0.00 H new ATOM 1099 N ILE A 67 4.157 -7.655 9.099 1.00 0.00 N ATOM 1100 CA ILE A 67 5.176 -8.077 8.147 1.00 0.00 C ATOM 1101 C ILE A 67 6.559 -8.066 8.798 1.00 0.00 C ATOM 1102 O ILE A 67 7.391 -8.939 8.529 1.00 0.00 O ATOM 1103 CB ILE A 67 5.194 -7.182 6.891 1.00 0.00 C ATOM 1104 CG1 ILE A 67 3.788 -7.043 6.304 1.00 0.00 C ATOM 1105 CG2 ILE A 67 6.140 -7.763 5.850 1.00 0.00 C ATOM 1106 CD1 ILE A 67 3.705 -6.045 5.170 1.00 0.00 C ATOM 0 H ILE A 67 3.747 -6.742 8.902 1.00 0.00 H new ATOM 0 HA ILE A 67 4.925 -9.092 7.840 1.00 0.00 H new ATOM 0 HB ILE A 67 5.545 -6.191 7.179 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.454 -8.017 5.946 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.101 -6.741 7.094 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.146 -7.124 4.967 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.147 -7.819 6.264 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.806 -8.763 5.572 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.680 -5.997 4.802 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.008 -5.061 5.528 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.367 -6.357 4.362 1.00 0.00 H new ATOM 1118 N GLU A 68 6.798 -7.082 9.662 1.00 0.00 N ATOM 1119 CA GLU A 68 8.052 -7.003 10.405 1.00 0.00 C ATOM 1120 C GLU A 68 8.273 -8.278 11.202 1.00 0.00 C ATOM 1121 O GLU A 68 9.314 -8.928 11.094 1.00 0.00 O ATOM 1122 CB GLU A 68 8.046 -5.823 11.374 1.00 0.00 C ATOM 1123 CG GLU A 68 7.927 -4.461 10.725 1.00 0.00 C ATOM 1124 CD GLU A 68 8.087 -3.355 11.744 1.00 0.00 C ATOM 1125 OE1 GLU A 68 9.241 -2.995 12.054 1.00 0.00 O ATOM 1126 OE2 GLU A 68 7.068 -2.867 12.274 1.00 0.00 O ATOM 0 H GLU A 68 6.140 -6.329 9.864 1.00 0.00 H new ATOM 0 HA GLU A 68 8.854 -6.869 9.679 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.218 -5.950 12.072 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.964 -5.850 11.961 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.686 -4.357 9.949 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.957 -4.371 10.236 1.00 0.00 H new ATOM 1133 N LYS A 69 7.272 -8.638 11.989 1.00 0.00 N ATOM 1134 CA LYS A 69 7.354 -9.812 12.846 1.00 0.00 C ATOM 1135 C LYS A 69 7.129 -11.085 12.037 1.00 0.00 C ATOM 1136 O LYS A 69 7.262 -12.194 12.551 1.00 0.00 O ATOM 1137 CB LYS A 69 6.340 -9.700 13.984 1.00 0.00 C ATOM 1138 CG LYS A 69 6.517 -8.436 14.809 1.00 0.00 C ATOM 1139 CD LYS A 69 5.513 -8.351 15.945 1.00 0.00 C ATOM 1140 CE LYS A 69 5.660 -7.047 16.712 1.00 0.00 C ATOM 1141 NZ LYS A 69 7.011 -6.906 17.316 1.00 0.00 N ATOM 0 H LYS A 69 6.389 -8.132 12.053 1.00 0.00 H new ATOM 0 HA LYS A 69 8.354 -9.864 13.278 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.332 -9.720 13.569 1.00 0.00 H new ATOM 0 HB3 LYS A 69 6.434 -10.569 14.635 1.00 0.00 H new ATOM 0 HG2 LYS A 69 7.528 -8.408 15.216 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.409 -7.564 14.164 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.501 -8.430 15.547 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.655 -9.193 16.623 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.474 -6.209 16.041 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.905 -7.001 17.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.018 -6.094 17.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.248 -7.772 17.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.713 -6.754 16.564 1.00 0.00 H new ATOM 1155 N LEU A 70 6.795 -10.911 10.766 1.00 0.00 N ATOM 1156 CA LEU A 70 6.659 -12.029 9.848 1.00 0.00 C ATOM 1157 C LEU A 70 8.041 -12.457 9.370 1.00 0.00 C ATOM 1158 O LEU A 70 8.216 -13.544 8.817 1.00 0.00 O ATOM 1159 CB LEU A 70 5.781 -11.631 8.657 1.00 0.00 C ATOM 1160 CG LEU A 70 5.279 -12.782 7.784 1.00 0.00 C ATOM 1161 CD1 LEU A 70 4.306 -13.656 8.557 1.00 0.00 C ATOM 1162 CD2 LEU A 70 4.618 -12.242 6.526 1.00 0.00 C ATOM 0 H LEU A 70 6.613 -9.999 10.347 1.00 0.00 H new ATOM 0 HA LEU A 70 6.182 -12.864 10.361 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.917 -11.083 9.034 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.346 -10.943 8.028 1.00 0.00 H new ATOM 0 HG LEU A 70 6.135 -13.392 7.495 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.961 -14.469 7.918 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.806 -14.070 9.433 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.453 -13.057 8.875 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.266 -13.073 5.915 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.773 -11.610 6.801 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.340 -11.655 5.959 1.00 0.00 H new ATOM 1174 N GLY A 71 9.022 -11.586 9.594 1.00 0.00 N ATOM 1175 CA GLY A 71 10.397 -11.900 9.262 1.00 0.00 C ATOM 1176 C GLY A 71 10.889 -11.169 8.028 1.00 0.00 C ATOM 1177 O GLY A 71 12.051 -11.299 7.642 1.00 0.00 O ATOM 0 H GLY A 71 8.885 -10.662 10.003 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.036 -11.646 10.107 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.491 -12.974 9.103 1.00 0.00 H new ATOM 1181 N TYR A 72 10.015 -10.386 7.417 1.00 0.00 N ATOM 1182 CA TYR A 72 10.351 -9.717 6.169 1.00 0.00 C ATOM 1183 C TYR A 72 10.391 -8.207 6.351 1.00 0.00 C ATOM 1184 O TYR A 72 9.384 -7.521 6.179 1.00 0.00 O ATOM 1185 CB TYR A 72 9.344 -10.095 5.081 1.00 0.00 C ATOM 1186 CG TYR A 72 9.216 -11.587 4.882 1.00 0.00 C ATOM 1187 CD1 TYR A 72 10.142 -12.291 4.122 1.00 0.00 C ATOM 1188 CD2 TYR A 72 8.175 -12.293 5.467 1.00 0.00 C ATOM 1189 CE1 TYR A 72 10.032 -13.657 3.953 1.00 0.00 C ATOM 1190 CE2 TYR A 72 8.059 -13.657 5.305 1.00 0.00 C ATOM 1191 CZ TYR A 72 8.989 -14.336 4.546 1.00 0.00 C ATOM 1192 OH TYR A 72 8.882 -15.700 4.388 1.00 0.00 O ATOM 0 H TYR A 72 9.073 -10.198 7.761 1.00 0.00 H new ATOM 0 HA TYR A 72 11.344 -10.046 5.863 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.368 -9.684 5.340 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.645 -9.634 4.140 1.00 0.00 H new ATOM 0 HD1 TYR A 72 10.960 -11.762 3.656 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.443 -11.765 6.060 1.00 0.00 H new ATOM 0 HE1 TYR A 72 10.759 -14.191 3.359 1.00 0.00 H new ATOM 0 HE2 TYR A 72 7.244 -14.191 5.770 1.00 0.00 H new ATOM 0 HH TYR A 72 8.093 -16.024 4.870 1.00 0.00 H new ATOM 1202 N LEU A 73 11.560 -7.693 6.704 1.00 0.00 N ATOM 1203 CA LEU A 73 11.722 -6.264 6.940 1.00 0.00 C ATOM 1204 C LEU A 73 11.750 -5.491 5.626 1.00 0.00 C ATOM 1205 O LEU A 73 11.149 -4.425 5.519 1.00 0.00 O ATOM 1206 CB LEU A 73 12.991 -5.990 7.750 1.00 0.00 C ATOM 1207 CG LEU A 73 12.973 -6.530 9.185 1.00 0.00 C ATOM 1208 CD1 LEU A 73 14.249 -6.144 9.915 1.00 0.00 C ATOM 1209 CD2 LEU A 73 11.753 -6.015 9.936 1.00 0.00 C ATOM 0 H LEU A 73 12.410 -8.242 6.833 1.00 0.00 H new ATOM 0 HA LEU A 73 10.863 -5.921 7.517 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.841 -6.426 7.224 1.00 0.00 H new ATOM 0 HB3 LEU A 73 13.156 -4.913 7.785 1.00 0.00 H new ATOM 0 HG LEU A 73 12.916 -7.618 9.142 1.00 0.00 H new ATOM 0 HD11 LEU A 73 14.219 -6.535 10.932 1.00 0.00 H new ATOM 0 HD12 LEU A 73 15.109 -6.561 9.391 1.00 0.00 H new ATOM 0 HD13 LEU A 73 14.336 -5.058 9.947 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.758 -6.409 10.952 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.779 -4.926 9.969 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.847 -6.341 9.425 1.00 0.00 H new ATOM 1221 N GLU A 74 12.429 -6.040 4.621 1.00 0.00 N ATOM 1222 CA GLU A 74 12.477 -5.409 3.308 1.00 0.00 C ATOM 1223 C GLU A 74 11.085 -5.352 2.702 1.00 0.00 C ATOM 1224 O GLU A 74 10.685 -4.335 2.139 1.00 0.00 O ATOM 1225 CB GLU A 74 13.439 -6.156 2.379 1.00 0.00 C ATOM 1226 CG GLU A 74 14.814 -5.513 2.284 1.00 0.00 C ATOM 1227 CD GLU A 74 14.841 -4.333 1.330 1.00 0.00 C ATOM 1228 OE1 GLU A 74 13.864 -3.557 1.302 1.00 0.00 O ATOM 1229 OE2 GLU A 74 15.826 -4.191 0.576 1.00 0.00 O ATOM 0 H GLU A 74 12.950 -6.914 4.691 1.00 0.00 H new ATOM 0 HA GLU A 74 12.847 -4.391 3.428 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.550 -7.181 2.732 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.001 -6.208 1.382 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.126 -5.182 3.275 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.538 -6.258 1.955 1.00 0.00 H new ATOM 1236 N ILE A 75 10.338 -6.436 2.849 1.00 0.00 N ATOM 1237 CA ILE A 75 8.967 -6.480 2.366 1.00 0.00 C ATOM 1238 C ILE A 75 8.123 -5.433 3.089 1.00 0.00 C ATOM 1239 O ILE A 75 7.403 -4.667 2.453 1.00 0.00 O ATOM 1240 CB ILE A 75 8.339 -7.882 2.549 1.00 0.00 C ATOM 1241 CG1 ILE A 75 9.118 -8.924 1.736 1.00 0.00 C ATOM 1242 CG2 ILE A 75 6.869 -7.879 2.144 1.00 0.00 C ATOM 1243 CD1 ILE A 75 9.143 -8.647 0.245 1.00 0.00 C ATOM 0 H ILE A 75 10.657 -7.295 3.298 1.00 0.00 H new ATOM 0 HA ILE A 75 8.985 -6.260 1.299 1.00 0.00 H new ATOM 0 HB ILE A 75 8.397 -8.147 3.605 1.00 0.00 H new ATOM 0 HG12 ILE A 75 10.143 -8.966 2.105 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.677 -9.906 1.906 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.451 -8.876 2.282 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.322 -7.168 2.763 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.781 -7.591 1.097 1.00 0.00 H new ATOM 0 HD11 ILE A 75 9.712 -9.427 -0.261 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.123 -8.635 -0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 75 9.612 -7.680 0.062 1.00 0.00 H new ATOM 1255 N ALA A 76 8.251 -5.382 4.412 1.00 0.00 N ATOM 1256 CA ALA A 76 7.503 -4.424 5.222 1.00 0.00 C ATOM 1257 C ALA A 76 7.777 -2.988 4.785 1.00 0.00 C ATOM 1258 O ALA A 76 6.849 -2.202 4.592 1.00 0.00 O ATOM 1259 CB ALA A 76 7.843 -4.596 6.695 1.00 0.00 C ATOM 0 H ALA A 76 8.867 -5.994 4.947 1.00 0.00 H new ATOM 0 HA ALA A 76 6.442 -4.624 5.075 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.278 -3.875 7.285 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.585 -5.606 7.012 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.910 -4.430 6.844 1.00 0.00 H new ATOM 1265 N MET A 77 9.052 -2.655 4.620 1.00 0.00 N ATOM 1266 CA MET A 77 9.446 -1.304 4.232 1.00 0.00 C ATOM 1267 C MET A 77 8.941 -0.967 2.832 1.00 0.00 C ATOM 1268 O MET A 77 8.400 0.115 2.602 1.00 0.00 O ATOM 1269 CB MET A 77 10.968 -1.142 4.287 1.00 0.00 C ATOM 1270 CG MET A 77 11.557 -1.355 5.673 1.00 0.00 C ATOM 1271 SD MET A 77 13.333 -1.041 5.735 1.00 0.00 S ATOM 1272 CE MET A 77 13.940 -2.253 4.562 1.00 0.00 C ATOM 0 H MET A 77 9.831 -3.301 4.749 1.00 0.00 H new ATOM 0 HA MET A 77 8.993 -0.613 4.943 1.00 0.00 H new ATOM 0 HB2 MET A 77 11.425 -1.850 3.595 1.00 0.00 H new ATOM 0 HB3 MET A 77 11.231 -0.143 3.940 1.00 0.00 H new ATOM 0 HG2 MET A 77 11.052 -0.699 6.382 1.00 0.00 H new ATOM 0 HG3 MET A 77 11.363 -2.379 5.992 1.00 0.00 H new ATOM 0 HE1 MET A 77 15.028 -2.204 4.519 1.00 0.00 H new ATOM 0 HE2 MET A 77 13.634 -3.250 4.878 1.00 0.00 H new ATOM 0 HE3 MET A 77 13.528 -2.042 3.575 1.00 0.00 H new ATOM 1282 N ARG A 78 9.106 -1.902 1.905 1.00 0.00 N ATOM 1283 CA ARG A 78 8.720 -1.674 0.516 1.00 0.00 C ATOM 1284 C ARG A 78 7.205 -1.612 0.358 1.00 0.00 C ATOM 1285 O ARG A 78 6.695 -0.782 -0.393 1.00 0.00 O ATOM 1286 CB ARG A 78 9.314 -2.749 -0.398 1.00 0.00 C ATOM 1287 CG ARG A 78 10.832 -2.730 -0.424 1.00 0.00 C ATOM 1288 CD ARG A 78 11.403 -3.815 -1.320 1.00 0.00 C ATOM 1289 NE ARG A 78 12.860 -3.884 -1.212 1.00 0.00 N ATOM 1290 CZ ARG A 78 13.683 -4.113 -2.236 1.00 0.00 C ATOM 1291 NH1 ARG A 78 13.198 -4.303 -3.457 1.00 0.00 N ATOM 1292 NH2 ARG A 78 14.995 -4.160 -2.034 1.00 0.00 N ATOM 0 H ARG A 78 9.503 -2.823 2.088 1.00 0.00 H new ATOM 0 HA ARG A 78 9.124 -0.706 0.219 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.974 -3.730 -0.066 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.937 -2.607 -1.411 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.176 -1.756 -0.772 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.213 -2.860 0.589 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.970 -4.778 -1.049 1.00 0.00 H new ATOM 0 HD3 ARG A 78 11.122 -3.620 -2.355 1.00 0.00 H new ATOM 0 HE ARG A 78 13.275 -3.748 -0.290 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.191 -4.274 -3.616 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.832 -4.478 -4.236 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.372 -4.021 -1.096 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.626 -4.335 -2.816 1.00 0.00 H new ATOM 1306 N VAL A 79 6.483 -2.476 1.069 1.00 0.00 N ATOM 1307 CA VAL A 79 5.022 -2.454 1.030 1.00 0.00 C ATOM 1308 C VAL A 79 4.500 -1.166 1.656 1.00 0.00 C ATOM 1309 O VAL A 79 3.546 -0.562 1.161 1.00 0.00 O ATOM 1310 CB VAL A 79 4.398 -3.681 1.737 1.00 0.00 C ATOM 1311 CG1 VAL A 79 2.884 -3.540 1.848 1.00 0.00 C ATOM 1312 CG2 VAL A 79 4.744 -4.960 0.987 1.00 0.00 C ATOM 0 H VAL A 79 6.881 -3.194 1.674 1.00 0.00 H new ATOM 0 HA VAL A 79 4.725 -2.497 -0.018 1.00 0.00 H new ATOM 0 HB VAL A 79 4.814 -3.733 2.743 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.473 -4.416 2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.643 -2.647 2.424 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.452 -3.456 0.851 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.297 -5.813 1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.356 -4.902 -0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.827 -5.082 0.956 1.00 0.00 H new ATOM 1322 N LYS A 80 5.152 -0.732 2.728 1.00 0.00 N ATOM 1323 CA LYS A 80 4.819 0.537 3.355 1.00 0.00 C ATOM 1324 C LYS A 80 5.056 1.673 2.368 1.00 0.00 C ATOM 1325 O LYS A 80 4.259 2.604 2.276 1.00 0.00 O ATOM 1326 CB LYS A 80 5.660 0.753 4.615 1.00 0.00 C ATOM 1327 CG LYS A 80 5.196 1.918 5.477 1.00 0.00 C ATOM 1328 CD LYS A 80 6.008 2.009 6.758 1.00 0.00 C ATOM 1329 CE LYS A 80 7.353 2.678 6.532 1.00 0.00 C ATOM 1330 NZ LYS A 80 7.223 4.152 6.376 1.00 0.00 N ATOM 0 H LYS A 80 5.913 -1.240 3.179 1.00 0.00 H new ATOM 0 HA LYS A 80 3.768 0.521 3.643 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.641 -0.158 5.213 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.697 0.921 4.323 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.289 2.848 4.917 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.140 1.797 5.720 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.445 2.569 7.505 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.164 1.008 7.161 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.012 2.459 7.372 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.821 2.259 5.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.168 4.586 6.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.745 4.365 5.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.665 4.537 7.165 1.00 0.00 H new ATOM 1344 N GLN A 81 6.153 1.579 1.627 1.00 0.00 N ATOM 1345 CA GLN A 81 6.481 2.568 0.606 1.00 0.00 C ATOM 1346 C GLN A 81 5.436 2.574 -0.512 1.00 0.00 C ATOM 1347 O GLN A 81 4.988 3.645 -0.930 1.00 0.00 O ATOM 1348 CB GLN A 81 7.878 2.311 0.036 1.00 0.00 C ATOM 1349 CG GLN A 81 8.360 3.391 -0.924 1.00 0.00 C ATOM 1350 CD GLN A 81 8.371 4.774 -0.295 1.00 0.00 C ATOM 1351 OE1 GLN A 81 9.357 5.187 0.317 1.00 0.00 O ATOM 1352 NE2 GLN A 81 7.276 5.505 -0.447 1.00 0.00 N ATOM 0 H GLN A 81 6.834 0.825 1.714 1.00 0.00 H new ATOM 0 HA GLN A 81 6.475 3.551 1.077 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.587 2.228 0.860 1.00 0.00 H new ATOM 0 HB3 GLN A 81 7.878 1.352 -0.482 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.365 3.144 -1.266 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.717 3.402 -1.804 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.479 5.129 -0.960 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.230 6.444 -0.051 1.00 0.00 H new ATOM 1361 N TYR A 82 5.059 1.385 -1.003 1.00 0.00 N ATOM 1362 CA TYR A 82 3.961 1.269 -1.967 1.00 0.00 C ATOM 1363 C TYR A 82 2.736 1.999 -1.437 1.00 0.00 C ATOM 1364 O TYR A 82 2.169 2.865 -2.106 1.00 0.00 O ATOM 1365 CB TYR A 82 3.570 -0.198 -2.215 1.00 0.00 C ATOM 1366 CG TYR A 82 4.649 -1.087 -2.800 1.00 0.00 C ATOM 1367 CD1 TYR A 82 5.535 -0.626 -3.767 1.00 0.00 C ATOM 1368 CD2 TYR A 82 4.766 -2.408 -2.383 1.00 0.00 C ATOM 1369 CE1 TYR A 82 6.506 -1.459 -4.297 1.00 0.00 C ATOM 1370 CE2 TYR A 82 5.728 -3.242 -2.909 1.00 0.00 C ATOM 1371 CZ TYR A 82 6.596 -2.766 -3.863 1.00 0.00 C ATOM 1372 OH TYR A 82 7.544 -3.609 -4.394 1.00 0.00 O ATOM 0 H TYR A 82 5.495 0.498 -0.750 1.00 0.00 H new ATOM 0 HA TYR A 82 4.305 1.707 -2.904 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.245 -0.631 -1.269 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.711 -0.215 -2.885 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.465 0.396 -4.110 1.00 0.00 H new ATOM 0 HD2 TYR A 82 4.089 -2.788 -1.632 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.189 -1.088 -5.046 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.800 -4.266 -2.573 1.00 0.00 H new ATOM 0 HH TYR A 82 7.468 -4.492 -3.975 1.00 0.00 H new ATOM 1382 N ALA A 83 2.354 1.645 -0.215 1.00 0.00 N ATOM 1383 CA ALA A 83 1.185 2.216 0.435 1.00 0.00 C ATOM 1384 C ALA A 83 1.300 3.728 0.565 1.00 0.00 C ATOM 1385 O ALA A 83 0.340 4.451 0.311 1.00 0.00 O ATOM 1386 CB ALA A 83 0.989 1.585 1.804 1.00 0.00 C ATOM 0 H ALA A 83 2.847 0.954 0.351 1.00 0.00 H new ATOM 0 HA ALA A 83 0.317 2.001 -0.188 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.111 2.019 2.283 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.847 0.510 1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.868 1.773 2.420 1.00 0.00 H new ATOM 1392 N THR A 84 2.479 4.200 0.952 1.00 0.00 N ATOM 1393 CA THR A 84 2.720 5.628 1.119 1.00 0.00 C ATOM 1394 C THR A 84 2.475 6.381 -0.190 1.00 0.00 C ATOM 1395 O THR A 84 1.908 7.477 -0.191 1.00 0.00 O ATOM 1396 CB THR A 84 4.157 5.897 1.618 1.00 0.00 C ATOM 1397 OG1 THR A 84 4.391 5.174 2.835 1.00 0.00 O ATOM 1398 CG2 THR A 84 4.389 7.381 1.862 1.00 0.00 C ATOM 0 H THR A 84 3.287 3.611 1.157 1.00 0.00 H new ATOM 0 HA THR A 84 2.018 5.991 1.870 1.00 0.00 H new ATOM 0 HB THR A 84 4.849 5.562 0.846 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.457 4.216 2.639 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.409 7.537 2.212 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.236 7.931 0.933 1.00 0.00 H new ATOM 0 HG23 THR A 84 3.688 7.740 2.615 1.00 0.00 H new ATOM 1406 N ALA A 85 2.873 5.775 -1.304 1.00 0.00 N ATOM 1407 CA ALA A 85 2.657 6.371 -2.616 1.00 0.00 C ATOM 1408 C ALA A 85 1.167 6.417 -2.940 1.00 0.00 C ATOM 1409 O ALA A 85 0.667 7.404 -3.484 1.00 0.00 O ATOM 1410 CB ALA A 85 3.416 5.598 -3.682 1.00 0.00 C ATOM 0 H ALA A 85 3.347 4.872 -1.324 1.00 0.00 H new ATOM 0 HA ALA A 85 3.036 7.393 -2.601 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.244 6.056 -4.656 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.482 5.617 -3.455 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.067 4.565 -3.700 1.00 0.00 H new ATOM 1416 N ILE A 86 0.466 5.348 -2.581 1.00 0.00 N ATOM 1417 CA ILE A 86 -0.976 5.267 -2.777 1.00 0.00 C ATOM 1418 C ILE A 86 -1.686 6.305 -1.910 1.00 0.00 C ATOM 1419 O ILE A 86 -2.621 6.972 -2.351 1.00 0.00 O ATOM 1420 CB ILE A 86 -1.512 3.862 -2.424 1.00 0.00 C ATOM 1421 CG1 ILE A 86 -0.769 2.794 -3.230 1.00 0.00 C ATOM 1422 CG2 ILE A 86 -3.010 3.783 -2.687 1.00 0.00 C ATOM 1423 CD1 ILE A 86 -1.121 1.376 -2.835 1.00 0.00 C ATOM 0 H ILE A 86 0.877 4.520 -2.150 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.177 5.464 -3.830 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.339 3.679 -1.363 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.990 2.932 -4.288 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.304 2.940 -3.107 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.372 2.787 -2.433 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.526 4.523 -2.076 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.205 3.983 -3.741 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.555 0.676 -3.450 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.874 1.219 -1.785 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.188 1.211 -2.985 1.00 0.00 H new ATOM 1435 N MET A 87 -1.219 6.446 -0.677 1.00 0.00 N ATOM 1436 CA MET A 87 -1.797 7.403 0.257 1.00 0.00 C ATOM 1437 C MET A 87 -1.545 8.832 -0.202 1.00 0.00 C ATOM 1438 O MET A 87 -2.354 9.719 0.046 1.00 0.00 O ATOM 1439 CB MET A 87 -1.233 7.193 1.660 1.00 0.00 C ATOM 1440 CG MET A 87 -1.547 5.827 2.232 1.00 0.00 C ATOM 1441 SD MET A 87 -0.796 5.565 3.844 1.00 0.00 S ATOM 1442 CE MET A 87 -1.073 3.810 4.043 1.00 0.00 C ATOM 0 H MET A 87 -0.439 5.908 -0.299 1.00 0.00 H new ATOM 0 HA MET A 87 -2.874 7.236 0.284 1.00 0.00 H new ATOM 0 HB2 MET A 87 -0.152 7.329 1.634 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.634 7.959 2.324 1.00 0.00 H new ATOM 0 HG2 MET A 87 -2.628 5.711 2.315 1.00 0.00 H new ATOM 0 HG3 MET A 87 -1.197 5.059 1.543 1.00 0.00 H new ATOM 0 HE1 MET A 87 -0.327 3.399 4.722 1.00 0.00 H new ATOM 0 HE2 MET A 87 -2.069 3.643 4.454 1.00 0.00 H new ATOM 0 HE3 MET A 87 -0.993 3.317 3.074 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.421 9.053 -0.874 1.00 0.00 N ATOM 1453 CA ARG A 88 -0.125 10.361 -1.446 1.00 0.00 C ATOM 1454 C ARG A 88 -1.157 10.698 -2.520 1.00 0.00 C ATOM 1455 O ARG A 88 -1.623 11.835 -2.621 1.00 0.00 O ATOM 1456 CB ARG A 88 1.289 10.380 -2.033 1.00 0.00 C ATOM 1457 CG ARG A 88 1.689 11.720 -2.626 1.00 0.00 C ATOM 1458 CD ARG A 88 3.147 11.724 -3.049 1.00 0.00 C ATOM 1459 NE ARG A 88 3.534 12.988 -3.673 1.00 0.00 N ATOM 1460 CZ ARG A 88 4.726 13.562 -3.522 1.00 0.00 C ATOM 1461 NH1 ARG A 88 5.644 13.007 -2.737 1.00 0.00 N ATOM 1462 NH2 ARG A 88 5.001 14.696 -4.151 1.00 0.00 N ATOM 0 H ARG A 88 0.297 8.347 -1.036 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.176 11.114 -0.659 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.000 10.112 -1.252 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.362 9.615 -2.806 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.058 11.942 -3.487 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.519 12.509 -1.894 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.777 11.542 -2.179 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.324 10.906 -3.747 1.00 0.00 H new ATOM 0 HE ARG A 88 2.847 13.460 -4.261 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.437 12.137 -2.247 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.555 13.451 -2.625 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.299 15.129 -4.751 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.914 15.135 -4.035 1.00 0.00 H new ATOM 1476 N TYR A 89 -1.527 9.689 -3.298 1.00 0.00 N ATOM 1477 CA TYR A 89 -2.579 9.824 -4.297 1.00 0.00 C ATOM 1478 C TYR A 89 -3.920 10.068 -3.600 1.00 0.00 C ATOM 1479 O TYR A 89 -4.765 10.820 -4.087 1.00 0.00 O ATOM 1480 CB TYR A 89 -2.630 8.558 -5.165 1.00 0.00 C ATOM 1481 CG TYR A 89 -3.629 8.609 -6.302 1.00 0.00 C ATOM 1482 CD1 TYR A 89 -3.386 9.379 -7.435 1.00 0.00 C ATOM 1483 CD2 TYR A 89 -4.809 7.876 -6.249 1.00 0.00 C ATOM 1484 CE1 TYR A 89 -4.290 9.420 -8.477 1.00 0.00 C ATOM 1485 CE2 TYR A 89 -5.717 7.913 -7.287 1.00 0.00 C ATOM 1486 CZ TYR A 89 -5.453 8.685 -8.398 1.00 0.00 C ATOM 1487 OH TYR A 89 -6.357 8.724 -9.435 1.00 0.00 O ATOM 0 H TYR A 89 -1.109 8.759 -3.255 1.00 0.00 H new ATOM 0 HA TYR A 89 -2.369 10.675 -4.944 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.638 8.378 -5.579 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -2.869 7.707 -4.528 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.474 9.954 -7.500 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.018 7.268 -5.381 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.087 10.024 -9.349 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.630 7.340 -7.229 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.123 8.150 -9.223 1.00 0.00 H new ATOM 1497 N ALA A 90 -4.086 9.439 -2.439 1.00 0.00 N ATOM 1498 CA ALA A 90 -5.272 9.621 -1.610 1.00 0.00 C ATOM 1499 C ALA A 90 -5.370 11.054 -1.088 1.00 0.00 C ATOM 1500 O ALA A 90 -6.465 11.599 -0.937 1.00 0.00 O ATOM 1501 CB ALA A 90 -5.255 8.636 -0.450 1.00 0.00 C ATOM 0 H ALA A 90 -3.403 8.790 -2.048 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.149 9.430 -2.228 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.145 8.780 0.163 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.243 7.617 -0.838 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.365 8.804 0.157 1.00 0.00 H new ATOM 1507 N VAL A 91 -4.221 11.659 -0.803 1.00 0.00 N ATOM 1508 CA VAL A 91 -4.176 13.053 -0.376 1.00 0.00 C ATOM 1509 C VAL A 91 -4.650 13.957 -1.509 1.00 0.00 C ATOM 1510 O VAL A 91 -5.382 14.922 -1.286 1.00 0.00 O ATOM 1511 CB VAL A 91 -2.754 13.476 0.069 1.00 0.00 C ATOM 1512 CG1 VAL A 91 -2.727 14.936 0.496 1.00 0.00 C ATOM 1513 CG2 VAL A 91 -2.265 12.589 1.202 1.00 0.00 C ATOM 0 H VAL A 91 -3.309 11.206 -0.860 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.838 13.156 0.484 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.086 13.357 -0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.717 15.207 0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.033 15.565 -0.340 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.412 15.084 1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.264 12.900 1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.942 12.677 2.051 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.237 11.552 0.866 1.00 0.00 H new ATOM 1523 N GLN A 92 -4.256 13.608 -2.729 1.00 0.00 N ATOM 1524 CA GLN A 92 -4.641 14.366 -3.914 1.00 0.00 C ATOM 1525 C GLN A 92 -6.149 14.309 -4.137 1.00 0.00 C ATOM 1526 O GLN A 92 -6.752 15.270 -4.615 1.00 0.00 O ATOM 1527 CB GLN A 92 -3.918 13.832 -5.151 1.00 0.00 C ATOM 1528 CG GLN A 92 -2.404 13.919 -5.059 1.00 0.00 C ATOM 1529 CD GLN A 92 -1.706 13.345 -6.280 1.00 0.00 C ATOM 1530 OE1 GLN A 92 -0.598 12.818 -6.183 1.00 0.00 O ATOM 1531 NE2 GLN A 92 -2.337 13.455 -7.440 1.00 0.00 N ATOM 0 H GLN A 92 -3.666 12.799 -2.924 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.353 15.404 -3.751 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -4.204 12.792 -5.308 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -4.253 14.390 -6.026 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.111 14.962 -4.936 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -2.067 13.386 -4.170 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.255 13.898 -7.481 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.905 13.096 -8.292 1.00 0.00 H new ATOM 1540 N GLN A 93 -6.759 13.179 -3.792 1.00 0.00 N ATOM 1541 CA GLN A 93 -8.205 13.024 -3.920 1.00 0.00 C ATOM 1542 C GLN A 93 -8.917 13.541 -2.672 1.00 0.00 C ATOM 1543 O GLN A 93 -10.127 13.357 -2.518 1.00 0.00 O ATOM 1544 CB GLN A 93 -8.586 11.561 -4.169 1.00 0.00 C ATOM 1545 CG GLN A 93 -7.954 10.964 -5.417 1.00 0.00 C ATOM 1546 CD GLN A 93 -8.630 9.681 -5.861 1.00 0.00 C ATOM 1547 OE1 GLN A 93 -9.168 8.931 -5.051 1.00 0.00 O ATOM 1548 NE2 GLN A 93 -8.609 9.420 -7.160 1.00 0.00 N ATOM 0 H GLN A 93 -6.277 12.359 -3.423 1.00 0.00 H new ATOM 0 HA GLN A 93 -8.524 13.614 -4.779 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -8.291 10.967 -3.304 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -9.670 11.487 -4.252 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -8.000 11.693 -6.226 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -6.899 10.766 -5.226 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.152 10.067 -7.803 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.050 8.572 -7.517 1.00 0.00 H new ATOM 1557 N LYS A 94 -8.150 14.182 -1.781 1.00 0.00 N ATOM 1558 CA LYS A 94 -8.689 14.805 -0.567 1.00 0.00 C ATOM 1559 C LYS A 94 -9.347 13.773 0.338 1.00 0.00 C ATOM 1560 O LYS A 94 -10.254 14.087 1.108 1.00 0.00 O ATOM 1561 CB LYS A 94 -9.692 15.898 -0.939 1.00 0.00 C ATOM 1562 CG LYS A 94 -9.106 16.955 -1.860 1.00 0.00 C ATOM 1563 CD LYS A 94 -10.147 17.973 -2.290 1.00 0.00 C ATOM 1564 CE LYS A 94 -9.559 18.965 -3.278 1.00 0.00 C ATOM 1565 NZ LYS A 94 -10.554 19.983 -3.700 1.00 0.00 N ATOM 0 H LYS A 94 -7.140 14.283 -1.882 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.859 15.252 -0.019 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.555 15.441 -1.423 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.053 16.377 -0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.288 17.465 -1.352 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.683 16.474 -2.742 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.996 17.462 -2.744 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.525 18.504 -1.416 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.701 19.462 -2.826 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.193 18.430 -4.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.113 20.641 -4.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.362 19.511 -4.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.885 20.511 -2.867 1.00 0.00 H new ATOM 1579 N MET A 95 -8.861 12.548 0.256 1.00 0.00 N ATOM 1580 CA MET A 95 -9.421 11.449 1.021 1.00 0.00 C ATOM 1581 C MET A 95 -8.950 11.487 2.468 1.00 0.00 C ATOM 1582 O MET A 95 -9.758 11.488 3.394 1.00 0.00 O ATOM 1583 CB MET A 95 -9.020 10.126 0.378 1.00 0.00 C ATOM 1584 CG MET A 95 -9.619 9.914 -1.000 1.00 0.00 C ATOM 1585 SD MET A 95 -8.695 8.714 -1.969 1.00 0.00 S ATOM 1586 CE MET A 95 -8.446 7.426 -0.755 1.00 0.00 C ATOM 0 H MET A 95 -8.073 12.288 -0.338 1.00 0.00 H new ATOM 0 HA MET A 95 -10.507 11.546 1.019 1.00 0.00 H new ATOM 0 HB2 MET A 95 -7.933 10.083 0.303 1.00 0.00 H new ATOM 0 HB3 MET A 95 -9.328 9.307 1.029 1.00 0.00 H new ATOM 0 HG2 MET A 95 -10.651 9.578 -0.897 1.00 0.00 H new ATOM 0 HG3 MET A 95 -9.645 10.865 -1.532 1.00 0.00 H new ATOM 0 HE1 MET A 95 -7.781 6.665 -1.163 1.00 0.00 H new ATOM 0 HE2 MET A 95 -8.000 7.854 0.143 1.00 0.00 H new ATOM 0 HE3 MET A 95 -9.405 6.973 -0.503 1.00 0.00 H new ATOM 1596 N ILE A 96 -7.640 11.529 2.656 1.00 0.00 N ATOM 1597 CA ILE A 96 -7.064 11.461 3.995 1.00 0.00 C ATOM 1598 C ILE A 96 -6.449 12.787 4.428 1.00 0.00 C ATOM 1599 O ILE A 96 -6.235 13.009 5.621 1.00 0.00 O ATOM 1600 CB ILE A 96 -6.000 10.351 4.082 1.00 0.00 C ATOM 1601 CG1 ILE A 96 -4.966 10.510 2.963 1.00 0.00 C ATOM 1602 CG2 ILE A 96 -6.662 8.984 4.011 1.00 0.00 C ATOM 1603 CD1 ILE A 96 -3.900 9.437 2.958 1.00 0.00 C ATOM 0 H ILE A 96 -6.956 11.609 1.904 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.886 11.231 4.673 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.483 10.436 5.038 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.481 10.502 2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -4.487 11.484 3.060 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.900 8.207 4.073 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.361 8.875 4.840 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.201 8.889 3.068 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.206 9.618 2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.358 9.458 3.904 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.367 8.461 2.829 1.00 0.00 H new ATOM 1615 N ARG A 97 -6.177 13.660 3.453 1.00 0.00 N ATOM 1616 CA ARG A 97 -5.549 14.971 3.688 1.00 0.00 C ATOM 1617 C ARG A 97 -4.071 14.843 4.071 1.00 0.00 C ATOM 1618 O ARG A 97 -3.227 15.571 3.554 1.00 0.00 O ATOM 1619 CB ARG A 97 -6.299 15.784 4.754 1.00 0.00 C ATOM 1620 CG ARG A 97 -7.727 16.134 4.364 1.00 0.00 C ATOM 1621 CD ARG A 97 -8.310 17.213 5.263 1.00 0.00 C ATOM 1622 NE ARG A 97 -8.426 16.793 6.661 1.00 0.00 N ATOM 1623 CZ ARG A 97 -8.121 17.574 7.698 1.00 0.00 C ATOM 1624 NH1 ARG A 97 -7.576 18.769 7.498 1.00 0.00 N ATOM 1625 NH2 ARG A 97 -8.341 17.154 8.935 1.00 0.00 N ATOM 0 H ARG A 97 -6.386 13.479 2.471 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.609 15.508 2.741 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.315 15.218 5.685 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.749 16.705 4.950 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.748 16.473 3.328 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -8.348 15.240 4.419 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -7.682 18.102 5.208 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -9.295 17.495 4.891 1.00 0.00 H new ATOM 0 HE ARG A 97 -8.759 15.848 6.853 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.389 19.092 6.549 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -7.344 19.363 8.294 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.745 16.231 9.096 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -8.107 17.753 9.726 1.00 0.00 H new ATOM 1639 N PHE A 98 -3.763 13.926 4.975 1.00 0.00 N ATOM 1640 CA PHE A 98 -2.391 13.712 5.412 1.00 0.00 C ATOM 1641 C PHE A 98 -2.048 12.228 5.364 1.00 0.00 C ATOM 1642 O PHE A 98 -2.934 11.381 5.466 1.00 0.00 O ATOM 1643 CB PHE A 98 -2.187 14.246 6.833 1.00 0.00 C ATOM 1644 CG PHE A 98 -2.489 15.711 6.985 1.00 0.00 C ATOM 1645 CD1 PHE A 98 -1.575 16.669 6.571 1.00 0.00 C ATOM 1646 CD2 PHE A 98 -3.685 16.131 7.546 1.00 0.00 C ATOM 1647 CE1 PHE A 98 -1.850 18.015 6.711 1.00 0.00 C ATOM 1648 CE2 PHE A 98 -3.965 17.476 7.688 1.00 0.00 C ATOM 1649 CZ PHE A 98 -3.048 18.419 7.272 1.00 0.00 C ATOM 0 H PHE A 98 -4.447 13.316 5.422 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.729 14.254 4.737 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -2.821 13.682 7.517 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.155 14.065 7.133 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.637 16.358 6.134 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -4.406 15.398 7.876 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.131 18.751 6.383 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -4.902 17.789 8.125 1.00 0.00 H new ATOM 0 HZ PHE A 98 -3.265 19.471 7.384 1.00 0.00 H new ATOM 1659 N ASN A 99 -0.767 11.923 5.206 1.00 0.00 N ATOM 1660 CA ASN A 99 -0.307 10.539 5.125 1.00 0.00 C ATOM 1661 C ASN A 99 -0.130 9.939 6.517 1.00 0.00 C ATOM 1662 O ASN A 99 0.689 10.413 7.302 1.00 0.00 O ATOM 1663 CB ASN A 99 1.023 10.460 4.366 1.00 0.00 C ATOM 1664 CG ASN A 99 0.894 10.837 2.905 1.00 0.00 C ATOM 1665 OD1 ASN A 99 0.949 12.010 2.547 1.00 0.00 O ATOM 1666 ND2 ASN A 99 0.750 9.839 2.047 1.00 0.00 N ATOM 0 H ASN A 99 -0.023 12.617 5.131 1.00 0.00 H new ATOM 0 HA ASN A 99 -1.065 9.969 4.589 1.00 0.00 H new ATOM 0 HB2 ASN A 99 1.747 11.120 4.843 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.418 9.447 4.441 1.00 0.00 H new ATOM 0 HD21 ASN A 99 0.680 10.032 1.048 1.00 0.00 H new ATOM 0 HD22 ASN A 99 0.709 8.878 2.385 1.00 0.00 H new ATOM 1673 N PRO A 100 -0.897 8.887 6.839 1.00 0.00 N ATOM 1674 CA PRO A 100 -0.794 8.180 8.111 1.00 0.00 C ATOM 1675 C PRO A 100 0.259 7.072 8.071 1.00 0.00 C ATOM 1676 O PRO A 100 0.349 6.254 8.982 1.00 0.00 O ATOM 1677 CB PRO A 100 -2.197 7.579 8.306 1.00 0.00 C ATOM 1678 CG PRO A 100 -2.958 7.864 7.043 1.00 0.00 C ATOM 1679 CD PRO A 100 -1.955 8.312 6.016 1.00 0.00 C ATOM 0 HA PRO A 100 -0.486 8.842 8.920 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -2.138 6.506 8.491 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.694 8.024 9.168 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.487 6.974 6.703 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.709 8.636 7.211 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.593 7.480 5.412 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.378 9.044 5.328 1.00 0.00 H new ATOM 1687 N ALA A 101 1.049 7.045 7.001 1.00 0.00 N ATOM 1688 CA ALA A 101 2.119 6.063 6.868 1.00 0.00 C ATOM 1689 C ALA A 101 3.446 6.664 7.248 1.00 0.00 C ATOM 1690 O ALA A 101 4.504 6.075 7.014 1.00 0.00 O ATOM 1691 CB ALA A 101 2.168 5.495 5.459 1.00 0.00 C ATOM 0 H ALA A 101 0.968 7.691 6.216 1.00 0.00 H new ATOM 0 HA ALA A 101 1.908 5.242 7.553 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.975 4.766 5.389 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.219 5.010 5.229 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.345 6.302 4.748 1.00 0.00 H new