USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 713 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 73 THR OG1 : rot -81:sc= 0.231 USER MOD Set 1.2: A 76 HIS : no HD1:sc= -2.37! X(o=-2.1!,f=-2) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -156:sc= -9.06! (180deg=-11.9!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= -0.0447 F(o=-1.2!,f=-0.045) USER MOD Single : A 50 LYS NZ :NH3+ 167:sc= 1.01 (180deg=0.838) USER MOD Single : A 52 THR OG1 : rot -31:sc= 0.0813 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0555 USER MOD Single : A 57 THR OG1 : rot 90:sc= 0.469 USER MOD Single : A 58 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0483) USER MOD Single : A 60 GLN : amide:sc= -7.43! C(o=-7.4!,f=-8.2!) USER MOD Single : A 61 GLN :FLIP amide:sc= -0.118 F(o=-0.66,f=-0.12) USER MOD Single : A 67 LYS NZ :NH3+ 135:sc= 1.17 (180deg=1.05) USER MOD Single : A 71 GLN :FLIP amide:sc= -9.18! C(o=-9.8!,f=-9.2!) USER MOD Single : A 75 THR OG1 : rot 73:sc= 1.26 USER MOD Single : A 82 MET CE :methyl -169:sc= -0.268 (180deg=-0.74) USER MOD Single : A 86 ASN :FLIP amide:sc= -1.35 F(o=-9.1!,f=-1.3) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 172:sc=-0.00039 (180deg=-0.102) USER MOD Single : A 96 GLN : amide:sc= -0.746 X(o=-0.75,f=-0.35) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -112:sc= -1.47 (180deg=-2.25!) USER MOD Single : A 101 SER OG : rot 7:sc= 0.359 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot 180:sc= -0.169 USER MOD Single : A 128 HIS :FLIP no HE2:sc= -2.44! C(o=-2.9!,f=-2.4!) USER MOD Single : A 133 GLN : amide:sc= -1.01 X(o=-1,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 223 N MET A 44 -13.134 -1.959 2.218 1.00 0.41 N ATOM 224 CA MET A 44 -12.373 -1.777 3.439 1.00 0.41 C ATOM 225 C MET A 44 -11.167 -0.879 3.194 1.00 0.31 C ATOM 226 O MET A 44 -10.959 0.084 3.914 1.00 0.28 O ATOM 227 CB MET A 44 -11.941 -3.132 4.010 1.00 0.50 C ATOM 228 CG MET A 44 -13.090 -3.922 4.626 1.00 0.82 C ATOM 229 SD MET A 44 -14.381 -4.335 3.431 1.00 1.59 S ATOM 230 CE MET A 44 -15.665 -4.963 4.512 1.00 1.62 C ATOM 0 HA MET A 44 -13.013 -1.287 4.173 1.00 0.41 H new ATOM 0 HB2 MET A 44 -11.487 -3.725 3.216 1.00 0.50 H new ATOM 0 HB3 MET A 44 -11.173 -2.971 4.767 1.00 0.50 H new ATOM 0 HG2 MET A 44 -12.699 -4.841 5.063 1.00 0.82 H new ATOM 0 HG3 MET A 44 -13.527 -3.343 5.440 1.00 0.82 H new ATOM 0 HE1 MET A 44 -16.529 -5.259 3.917 1.00 1.62 H new ATOM 0 HE2 MET A 44 -15.289 -5.827 5.060 1.00 1.62 H new ATOM 0 HE3 MET A 44 -15.959 -4.186 5.217 1.00 1.62 H new ATOM 240 N MET A 45 -10.383 -1.180 2.167 1.00 0.28 N ATOM 241 CA MET A 45 -9.255 -0.325 1.810 1.00 0.22 C ATOM 242 C MET A 45 -9.733 0.978 1.174 1.00 0.20 C ATOM 243 O MET A 45 -9.112 2.020 1.341 1.00 0.20 O ATOM 244 CB MET A 45 -8.298 -1.039 0.860 1.00 0.24 C ATOM 245 CG MET A 45 -8.854 -1.217 -0.538 1.00 0.32 C ATOM 246 SD MET A 45 -7.948 -2.427 -1.504 1.00 0.98 S ATOM 247 CE MET A 45 -6.320 -1.712 -1.433 1.00 0.22 C ATOM 0 H MET A 45 -10.504 -1.999 1.572 1.00 0.28 H new ATOM 0 HA MET A 45 -8.723 -0.093 2.732 1.00 0.22 H new ATOM 0 HB2 MET A 45 -7.367 -0.475 0.803 1.00 0.24 H new ATOM 0 HB3 MET A 45 -8.053 -2.018 1.272 1.00 0.24 H new ATOM 0 HG2 MET A 45 -9.898 -1.522 -0.472 1.00 0.32 H new ATOM 0 HG3 MET A 45 -8.834 -0.258 -1.056 1.00 0.32 H new ATOM 0 HE1 MET A 45 -5.734 -2.056 -2.286 1.00 0.22 H new ATOM 0 HE2 MET A 45 -6.398 -0.625 -1.461 1.00 0.22 H new ATOM 0 HE3 MET A 45 -5.829 -2.017 -0.509 1.00 0.22 H new ATOM 257 N SER A 46 -10.823 0.914 0.431 1.00 0.24 N ATOM 258 CA SER A 46 -11.398 2.098 -0.177 1.00 0.30 C ATOM 259 C SER A 46 -11.679 3.150 0.890 1.00 0.27 C ATOM 260 O SER A 46 -11.314 4.316 0.744 1.00 0.30 O ATOM 261 CB SER A 46 -12.679 1.722 -0.924 1.00 0.39 C ATOM 262 OG SER A 46 -13.196 2.817 -1.663 1.00 0.53 O ATOM 0 H SER A 46 -11.329 0.050 0.234 1.00 0.24 H new ATOM 0 HA SER A 46 -10.691 2.519 -0.891 1.00 0.30 H new ATOM 0 HB2 SER A 46 -12.476 0.891 -1.599 1.00 0.39 H new ATOM 0 HB3 SER A 46 -13.428 1.378 -0.211 1.00 0.39 H new ATOM 0 HG SER A 46 -14.013 2.541 -2.129 1.00 0.53 H new ATOM 268 N GLN A 47 -12.339 2.737 1.959 1.00 0.25 N ATOM 269 CA GLN A 47 -12.585 3.624 3.080 1.00 0.27 C ATOM 270 C GLN A 47 -11.329 3.811 3.947 1.00 0.24 C ATOM 271 O GLN A 47 -10.909 4.940 4.193 1.00 0.29 O ATOM 272 CB GLN A 47 -13.782 3.136 3.913 1.00 0.30 C ATOM 273 CG GLN A 47 -13.674 1.696 4.396 1.00 0.33 C ATOM 274 CD GLN A 47 -14.951 1.181 5.035 1.00 0.43 C ATOM 275 OE1 GLN A 47 -16.093 1.626 4.534 1.00 1.10 O flip ATOM 276 NE2 GLN A 47 -14.911 0.367 5.955 1.00 1.11 N flip ATOM 0 H GLN A 47 -12.713 1.795 2.073 1.00 0.25 H new ATOM 0 HA GLN A 47 -12.838 4.604 2.676 1.00 0.27 H new ATOM 0 HB2 GLN A 47 -13.895 3.788 4.779 1.00 0.30 H new ATOM 0 HB3 GLN A 47 -14.689 3.238 3.317 1.00 0.30 H new ATOM 0 HG2 GLN A 47 -13.414 1.056 3.553 1.00 0.33 H new ATOM 0 HG3 GLN A 47 -12.859 1.622 5.116 1.00 0.33 H new ATOM 0 HE21 GLN A 47 -14.012 0.048 6.315 1.00 1.11 H new ATOM 0 HE22 GLN A 47 -15.777 0.011 6.359 1.00 1.11 H new ATOM 285 N ALA A 48 -10.721 2.708 4.393 1.00 0.21 N ATOM 286 CA ALA A 48 -9.599 2.778 5.331 1.00 0.22 C ATOM 287 C ALA A 48 -8.316 3.275 4.685 1.00 0.20 C ATOM 288 O ALA A 48 -7.738 4.251 5.147 1.00 0.22 O ATOM 289 CB ALA A 48 -9.341 1.427 5.981 1.00 0.24 C ATOM 0 H ALA A 48 -10.986 1.761 4.121 1.00 0.21 H new ATOM 0 HA ALA A 48 -9.893 3.502 6.090 1.00 0.22 H new ATOM 0 HB1 ALA A 48 -8.502 1.510 6.672 1.00 0.24 H new ATOM 0 HB2 ALA A 48 -10.230 1.110 6.526 1.00 0.24 H new ATOM 0 HB3 ALA A 48 -9.105 0.692 5.211 1.00 0.24 H new ATOM 295 N LEU A 49 -7.882 2.636 3.598 1.00 0.18 N ATOM 296 CA LEU A 49 -6.569 2.914 3.025 1.00 0.18 C ATOM 297 C LEU A 49 -6.513 4.303 2.439 1.00 0.19 C ATOM 298 O LEU A 49 -5.643 5.101 2.777 1.00 0.21 O ATOM 299 CB LEU A 49 -6.236 1.933 1.899 1.00 0.23 C ATOM 300 CG LEU A 49 -5.100 0.963 2.173 1.00 0.19 C ATOM 301 CD1 LEU A 49 -4.698 0.304 0.877 1.00 0.47 C ATOM 302 CD2 LEU A 49 -3.906 1.653 2.828 1.00 0.58 C ATOM 0 H LEU A 49 -8.419 1.926 3.100 1.00 0.18 H new ATOM 0 HA LEU A 49 -5.851 2.815 3.839 1.00 0.18 H new ATOM 0 HB2 LEU A 49 -7.132 1.356 1.670 1.00 0.23 H new ATOM 0 HB3 LEU A 49 -5.989 2.507 1.006 1.00 0.23 H new ATOM 0 HG LEU A 49 -5.447 0.208 2.878 1.00 0.19 H new ATOM 0 HD11 LEU A 49 -3.882 -0.395 1.062 1.00 0.47 H new ATOM 0 HD12 LEU A 49 -5.550 -0.234 0.463 1.00 0.47 H new ATOM 0 HD13 LEU A 49 -4.370 1.065 0.168 1.00 0.47 H new ATOM 0 HD21 LEU A 49 -3.117 0.923 3.006 1.00 0.58 H new ATOM 0 HD22 LEU A 49 -3.533 2.437 2.169 1.00 0.58 H new ATOM 0 HD23 LEU A 49 -4.215 2.092 3.777 1.00 0.58 H new ATOM 314 N LYS A 50 -7.436 4.571 1.539 1.00 0.19 N ATOM 315 CA LYS A 50 -7.417 5.799 0.774 1.00 0.21 C ATOM 316 C LYS A 50 -7.482 7.019 1.700 1.00 0.23 C ATOM 317 O LYS A 50 -6.928 8.076 1.397 1.00 0.27 O ATOM 318 CB LYS A 50 -8.558 5.788 -0.244 1.00 0.22 C ATOM 319 CG LYS A 50 -8.628 4.484 -1.035 1.00 0.20 C ATOM 320 CD LYS A 50 -7.309 4.177 -1.744 1.00 0.21 C ATOM 321 CE LYS A 50 -7.023 5.169 -2.863 1.00 0.24 C ATOM 322 NZ LYS A 50 -7.812 4.870 -4.084 1.00 0.55 N ATOM 0 H LYS A 50 -8.214 3.949 1.319 1.00 0.19 H new ATOM 0 HA LYS A 50 -6.477 5.869 0.226 1.00 0.21 H new ATOM 0 HB2 LYS A 50 -9.504 5.945 0.275 1.00 0.22 H new ATOM 0 HB3 LYS A 50 -8.431 6.621 -0.935 1.00 0.22 H new ATOM 0 HG2 LYS A 50 -8.878 3.664 -0.362 1.00 0.20 H new ATOM 0 HG3 LYS A 50 -9.430 4.548 -1.771 1.00 0.20 H new ATOM 0 HD2 LYS A 50 -6.494 4.200 -1.021 1.00 0.21 H new ATOM 0 HD3 LYS A 50 -7.343 3.167 -2.153 1.00 0.21 H new ATOM 0 HE2 LYS A 50 -7.253 6.178 -2.521 1.00 0.24 H new ATOM 0 HE3 LYS A 50 -5.960 5.148 -3.104 1.00 0.24 H new ATOM 0 HZ1 LYS A 50 -7.761 5.678 -4.737 1.00 0.55 H new ATOM 0 HZ2 LYS A 50 -7.425 4.024 -4.549 1.00 0.55 H new ATOM 0 HZ3 LYS A 50 -8.804 4.698 -3.823 1.00 0.55 H new ATOM 336 N ALA A 51 -8.154 6.855 2.832 1.00 0.22 N ATOM 337 CA ALA A 51 -8.190 7.888 3.861 1.00 0.23 C ATOM 338 C ALA A 51 -6.915 7.894 4.710 1.00 0.23 C ATOM 339 O ALA A 51 -6.411 8.955 5.077 1.00 0.26 O ATOM 340 CB ALA A 51 -9.410 7.718 4.749 1.00 0.25 C ATOM 0 H ALA A 51 -8.683 6.014 3.062 1.00 0.22 H new ATOM 0 HA ALA A 51 -8.253 8.849 3.351 1.00 0.23 H new ATOM 0 HB1 ALA A 51 -9.418 8.499 5.510 1.00 0.25 H new ATOM 0 HB2 ALA A 51 -10.314 7.792 4.144 1.00 0.25 H new ATOM 0 HB3 ALA A 51 -9.375 6.741 5.232 1.00 0.25 H new ATOM 346 N THR A 52 -6.399 6.704 5.015 1.00 0.21 N ATOM 347 CA THR A 52 -5.321 6.548 5.990 1.00 0.22 C ATOM 348 C THR A 52 -3.963 6.990 5.452 1.00 0.21 C ATOM 349 O THR A 52 -3.024 7.153 6.226 1.00 0.23 O ATOM 350 CB THR A 52 -5.211 5.075 6.462 1.00 0.22 C ATOM 351 OG1 THR A 52 -4.460 4.990 7.681 1.00 0.27 O ATOM 352 CG2 THR A 52 -4.544 4.204 5.401 1.00 0.18 C ATOM 0 H THR A 52 -6.713 5.828 4.597 1.00 0.21 H new ATOM 0 HA THR A 52 -5.582 7.196 6.827 1.00 0.22 H new ATOM 0 HB THR A 52 -6.224 4.711 6.632 1.00 0.22 H new ATOM 0 HG1 THR A 52 -3.792 5.706 7.704 1.00 0.27 H new ATOM 0 HG21 THR A 52 -4.481 3.177 5.760 1.00 0.18 H new ATOM 0 HG22 THR A 52 -5.133 4.232 4.484 1.00 0.18 H new ATOM 0 HG23 THR A 52 -3.541 4.580 5.199 1.00 0.18 H new ATOM 360 N PHE A 53 -3.872 7.212 4.147 1.00 0.23 N ATOM 361 CA PHE A 53 -2.582 7.419 3.491 1.00 0.27 C ATOM 362 C PHE A 53 -1.755 8.516 4.145 1.00 0.32 C ATOM 363 O PHE A 53 -0.523 8.451 4.143 1.00 0.34 O ATOM 364 CB PHE A 53 -2.760 7.752 2.017 1.00 0.31 C ATOM 365 CG PHE A 53 -3.261 6.607 1.198 1.00 0.32 C ATOM 366 CD1 PHE A 53 -2.794 5.325 1.419 1.00 0.30 C ATOM 367 CD2 PHE A 53 -4.194 6.814 0.206 1.00 0.36 C ATOM 368 CE1 PHE A 53 -3.252 4.268 0.658 1.00 0.34 C ATOM 369 CE2 PHE A 53 -4.652 5.763 -0.554 1.00 0.39 C ATOM 370 CZ PHE A 53 -4.181 4.487 -0.329 1.00 0.38 C ATOM 0 H PHE A 53 -4.675 7.254 3.519 1.00 0.23 H new ATOM 0 HA PHE A 53 -2.044 6.477 3.597 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -3.456 8.586 1.924 1.00 0.31 H new ATOM 0 HB3 PHE A 53 -1.805 8.087 1.612 1.00 0.31 H new ATOM 0 HD1 PHE A 53 -2.064 5.148 2.195 1.00 0.30 H new ATOM 0 HD2 PHE A 53 -4.569 7.810 0.023 1.00 0.36 H new ATOM 0 HE1 PHE A 53 -2.880 3.270 0.839 1.00 0.34 H new ATOM 0 HE2 PHE A 53 -5.383 5.938 -1.330 1.00 0.39 H new ATOM 0 HZ PHE A 53 -4.541 3.663 -0.927 1.00 0.38 H new ATOM 380 N SER A 54 -2.432 9.498 4.718 1.00 0.36 N ATOM 381 CA SER A 54 -1.773 10.629 5.341 1.00 0.44 C ATOM 382 C SER A 54 -0.878 10.185 6.496 1.00 0.39 C ATOM 383 O SER A 54 0.095 10.855 6.820 1.00 0.46 O ATOM 384 CB SER A 54 -2.825 11.629 5.815 1.00 0.55 C ATOM 385 OG SER A 54 -3.933 10.957 6.395 1.00 1.37 O ATOM 0 H SER A 54 -3.450 9.532 4.763 1.00 0.36 H new ATOM 0 HA SER A 54 -1.129 11.110 4.605 1.00 0.44 H new ATOM 0 HB2 SER A 54 -2.384 12.310 6.544 1.00 0.55 H new ATOM 0 HB3 SER A 54 -3.161 12.236 4.974 1.00 0.55 H new ATOM 0 HG SER A 54 -4.595 11.615 6.694 1.00 1.37 H new ATOM 391 N GLY A 55 -1.209 9.045 7.096 1.00 0.31 N ATOM 392 CA GLY A 55 -0.425 8.509 8.194 1.00 0.28 C ATOM 393 C GLY A 55 1.051 8.354 7.865 1.00 0.22 C ATOM 394 O GLY A 55 1.897 9.025 8.461 1.00 0.25 O ATOM 0 H GLY A 55 -2.016 8.478 6.837 1.00 0.31 H new ATOM 0 HA2 GLY A 55 -0.530 9.164 9.059 1.00 0.28 H new ATOM 0 HA3 GLY A 55 -0.830 7.538 8.479 1.00 0.28 H new ATOM 398 N PHE A 56 1.369 7.479 6.916 1.00 0.15 N ATOM 399 CA PHE A 56 2.768 7.217 6.574 1.00 0.12 C ATOM 400 C PHE A 56 3.360 8.392 5.831 1.00 0.13 C ATOM 401 O PHE A 56 4.461 8.814 6.119 1.00 0.17 O ATOM 402 CB PHE A 56 2.930 5.957 5.723 1.00 0.13 C ATOM 403 CG PHE A 56 4.362 5.695 5.353 1.00 0.16 C ATOM 404 CD1 PHE A 56 5.224 5.094 6.255 1.00 0.23 C ATOM 405 CD2 PHE A 56 4.851 6.076 4.115 1.00 0.20 C ATOM 406 CE1 PHE A 56 6.549 4.877 5.927 1.00 0.28 C ATOM 407 CE2 PHE A 56 6.172 5.858 3.780 1.00 0.26 C ATOM 408 CZ PHE A 56 7.024 5.261 4.688 1.00 0.28 C ATOM 0 H PHE A 56 0.689 6.944 6.375 1.00 0.15 H new ATOM 0 HA PHE A 56 3.297 7.064 7.515 1.00 0.12 H new ATOM 0 HB2 PHE A 56 2.536 5.100 6.269 1.00 0.13 H new ATOM 0 HB3 PHE A 56 2.335 6.057 4.815 1.00 0.13 H new ATOM 0 HD1 PHE A 56 4.857 4.792 7.225 1.00 0.23 H new ATOM 0 HD2 PHE A 56 4.191 6.549 3.403 1.00 0.20 H new ATOM 0 HE1 PHE A 56 7.212 4.408 6.639 1.00 0.28 H new ATOM 0 HE2 PHE A 56 6.539 6.154 2.808 1.00 0.26 H new ATOM 0 HZ PHE A 56 8.059 5.095 4.430 1.00 0.28 H new ATOM 418 N THR A 57 2.597 8.923 4.901 1.00 0.16 N ATOM 419 CA THR A 57 3.055 10.022 4.052 1.00 0.24 C ATOM 420 C THR A 57 3.463 11.246 4.890 1.00 0.26 C ATOM 421 O THR A 57 4.310 12.044 4.486 1.00 0.35 O ATOM 422 CB THR A 57 1.954 10.416 3.055 1.00 0.32 C ATOM 423 OG1 THR A 57 1.591 9.271 2.265 1.00 0.39 O ATOM 424 CG2 THR A 57 2.409 11.539 2.132 1.00 0.46 C ATOM 0 H THR A 57 1.645 8.613 4.706 1.00 0.16 H new ATOM 0 HA THR A 57 3.933 9.677 3.505 1.00 0.24 H new ATOM 0 HB THR A 57 1.096 10.771 3.625 1.00 0.32 H new ATOM 0 HG1 THR A 57 0.868 8.782 2.711 1.00 0.39 H new ATOM 0 HG21 THR A 57 1.604 11.791 1.441 1.00 0.46 H new ATOM 0 HG22 THR A 57 2.665 12.417 2.726 1.00 0.46 H new ATOM 0 HG23 THR A 57 3.283 11.215 1.568 1.00 0.46 H new ATOM 432 N LYS A 58 2.890 11.347 6.084 1.00 0.24 N ATOM 433 CA LYS A 58 3.194 12.447 6.989 1.00 0.31 C ATOM 434 C LYS A 58 4.554 12.225 7.635 1.00 0.29 C ATOM 435 O LYS A 58 5.388 13.131 7.692 1.00 0.31 O ATOM 436 CB LYS A 58 2.118 12.561 8.070 1.00 0.39 C ATOM 437 CG LYS A 58 2.385 13.640 9.103 1.00 0.50 C ATOM 438 CD LYS A 58 1.276 13.690 10.138 1.00 1.34 C ATOM 439 CE LYS A 58 1.530 14.764 11.178 1.00 1.93 C ATOM 440 NZ LYS A 58 2.695 14.447 12.048 1.00 2.52 N ATOM 0 H LYS A 58 2.211 10.678 6.448 1.00 0.24 H new ATOM 0 HA LYS A 58 3.215 13.375 6.417 1.00 0.31 H new ATOM 0 HB2 LYS A 58 1.159 12.761 7.592 1.00 0.39 H new ATOM 0 HB3 LYS A 58 2.027 11.601 8.579 1.00 0.39 H new ATOM 0 HG2 LYS A 58 3.338 13.449 9.596 1.00 0.50 H new ATOM 0 HG3 LYS A 58 2.470 14.608 8.609 1.00 0.50 H new ATOM 0 HD2 LYS A 58 0.324 13.880 9.643 1.00 1.34 H new ATOM 0 HD3 LYS A 58 1.192 12.720 10.629 1.00 1.34 H new ATOM 0 HE2 LYS A 58 1.702 15.717 10.678 1.00 1.93 H new ATOM 0 HE3 LYS A 58 0.640 14.885 11.796 1.00 1.93 H new ATOM 0 HZ1 LYS A 58 2.757 15.147 12.815 1.00 2.52 H new ATOM 0 HZ2 LYS A 58 2.576 13.497 12.455 1.00 2.52 H new ATOM 0 HZ3 LYS A 58 3.568 14.475 11.483 1.00 2.52 H new ATOM 454 N GLU A 59 4.781 11.004 8.098 1.00 0.26 N ATOM 455 CA GLU A 59 6.018 10.672 8.784 1.00 0.25 C ATOM 456 C GLU A 59 7.110 10.344 7.770 1.00 0.21 C ATOM 457 O GLU A 59 8.291 10.455 8.059 1.00 0.24 O ATOM 458 CB GLU A 59 5.800 9.514 9.764 1.00 0.31 C ATOM 459 CG GLU A 59 6.584 8.262 9.438 1.00 0.43 C ATOM 460 CD GLU A 59 6.558 7.267 10.579 1.00 0.76 C ATOM 461 OE1 GLU A 59 5.553 6.542 10.717 1.00 0.97 O ATOM 462 OE2 GLU A 59 7.527 7.234 11.367 1.00 0.98 O ATOM 0 H GLU A 59 4.124 10.228 8.010 1.00 0.26 H new ATOM 0 HA GLU A 59 6.342 11.537 9.363 1.00 0.25 H new ATOM 0 HB2 GLU A 59 6.071 9.847 10.766 1.00 0.31 H new ATOM 0 HB3 GLU A 59 4.738 9.268 9.786 1.00 0.31 H new ATOM 0 HG2 GLU A 59 6.171 7.798 8.542 1.00 0.43 H new ATOM 0 HG3 GLU A 59 7.616 8.529 9.212 1.00 0.43 H new ATOM 469 N GLN A 60 6.688 9.942 6.582 1.00 0.19 N ATOM 470 CA GLN A 60 7.583 9.683 5.462 1.00 0.19 C ATOM 471 C GLN A 60 8.461 10.899 5.221 1.00 0.22 C ATOM 472 O GLN A 60 9.680 10.796 5.126 1.00 0.23 O ATOM 473 CB GLN A 60 6.740 9.383 4.223 1.00 0.21 C ATOM 474 CG GLN A 60 7.517 9.031 2.979 1.00 0.28 C ATOM 475 CD GLN A 60 6.583 8.748 1.820 1.00 0.40 C ATOM 476 OE1 GLN A 60 5.485 9.299 1.745 1.00 0.90 O ATOM 477 NE2 GLN A 60 7.001 7.890 0.916 1.00 0.26 N ATOM 0 H GLN A 60 5.704 9.784 6.364 1.00 0.19 H new ATOM 0 HA GLN A 60 8.225 8.830 5.681 1.00 0.19 H new ATOM 0 HB2 GLN A 60 6.066 8.559 4.455 1.00 0.21 H new ATOM 0 HB3 GLN A 60 6.119 10.252 4.008 1.00 0.21 H new ATOM 0 HG2 GLN A 60 8.187 9.851 2.720 1.00 0.28 H new ATOM 0 HG3 GLN A 60 8.141 8.158 3.170 1.00 0.28 H new ATOM 0 HE21 GLN A 60 7.918 7.454 1.013 1.00 0.26 H new ATOM 0 HE22 GLN A 60 6.409 7.661 0.118 1.00 0.26 H new ATOM 486 N GLN A 61 7.815 12.053 5.168 1.00 0.28 N ATOM 487 CA GLN A 61 8.508 13.329 5.014 1.00 0.34 C ATOM 488 C GLN A 61 9.467 13.563 6.185 1.00 0.34 C ATOM 489 O GLN A 61 10.569 14.081 6.018 1.00 0.37 O ATOM 490 CB GLN A 61 7.487 14.458 4.966 1.00 0.45 C ATOM 491 CG GLN A 61 6.494 14.330 3.821 1.00 0.58 C ATOM 492 CD GLN A 61 7.169 14.234 2.466 1.00 0.77 C ATOM 493 OE1 GLN A 61 7.434 13.015 2.020 1.00 1.23 O flip ATOM 494 NE2 GLN A 61 7.438 15.247 1.820 1.00 1.12 N flip ATOM 0 H GLN A 61 6.800 12.135 5.230 1.00 0.28 H new ATOM 0 HA GLN A 61 9.081 13.307 4.087 1.00 0.34 H new ATOM 0 HB2 GLN A 61 6.941 14.484 5.909 1.00 0.45 H new ATOM 0 HB3 GLN A 61 8.012 15.409 4.876 1.00 0.45 H new ATOM 0 HG2 GLN A 61 5.877 13.445 3.978 1.00 0.58 H new ATOM 0 HG3 GLN A 61 5.825 15.190 3.828 1.00 0.58 H new ATOM 0 HE21 GLN A 61 7.217 16.168 2.200 1.00 1.12 H new ATOM 0 HE22 GLN A 61 7.882 15.166 0.905 1.00 1.12 H new ATOM 503 N ARG A 62 9.020 13.154 7.367 1.00 0.34 N ATOM 504 CA ARG A 62 9.771 13.326 8.609 1.00 0.39 C ATOM 505 C ARG A 62 10.996 12.421 8.633 1.00 0.36 C ATOM 506 O ARG A 62 12.088 12.834 9.020 1.00 0.41 O ATOM 507 CB ARG A 62 8.850 12.990 9.780 1.00 0.44 C ATOM 508 CG ARG A 62 9.523 12.960 11.140 1.00 0.58 C ATOM 509 CD ARG A 62 10.092 14.309 11.543 1.00 1.13 C ATOM 510 NE ARG A 62 10.641 14.248 12.894 1.00 1.93 N ATOM 511 CZ ARG A 62 11.484 15.141 13.413 1.00 2.74 C ATOM 512 NH1 ARG A 62 11.888 16.186 12.701 1.00 2.99 N ATOM 513 NH2 ARG A 62 11.915 14.982 14.659 1.00 3.73 N ATOM 0 H ARG A 62 8.120 12.690 7.493 1.00 0.34 H new ATOM 0 HA ARG A 62 10.117 14.357 8.683 1.00 0.39 H new ATOM 0 HB2 ARG A 62 8.042 13.721 9.808 1.00 0.44 H new ATOM 0 HB3 ARG A 62 8.394 12.017 9.596 1.00 0.44 H new ATOM 0 HG2 ARG A 62 8.802 12.636 11.890 1.00 0.58 H new ATOM 0 HG3 ARG A 62 10.324 12.221 11.128 1.00 0.58 H new ATOM 0 HD2 ARG A 62 10.871 14.607 10.841 1.00 1.13 H new ATOM 0 HD3 ARG A 62 9.312 15.069 11.495 1.00 1.13 H new ATOM 0 HE ARG A 62 10.359 13.465 13.484 1.00 1.93 H new ATOM 0 HH11 ARG A 62 11.553 16.312 11.746 1.00 2.99 H new ATOM 0 HH12 ARG A 62 12.533 16.862 13.109 1.00 2.99 H new ATOM 0 HH21 ARG A 62 11.601 14.183 15.209 1.00 3.73 H new ATOM 0 HH22 ARG A 62 12.560 15.659 15.066 1.00 3.73 H new ATOM 527 N LEU A 63 10.794 11.184 8.211 1.00 0.30 N ATOM 528 CA LEU A 63 11.855 10.190 8.148 1.00 0.32 C ATOM 529 C LEU A 63 12.814 10.482 7.010 1.00 0.31 C ATOM 530 O LEU A 63 13.767 9.736 6.776 1.00 0.37 O ATOM 531 CB LEU A 63 11.258 8.791 7.988 1.00 0.33 C ATOM 532 CG LEU A 63 10.377 8.317 9.145 1.00 0.40 C ATOM 533 CD1 LEU A 63 9.737 6.980 8.805 1.00 1.01 C ATOM 534 CD2 LEU A 63 11.191 8.204 10.422 1.00 0.65 C ATOM 0 H LEU A 63 9.886 10.838 7.901 1.00 0.30 H new ATOM 0 HA LEU A 63 12.415 10.235 9.082 1.00 0.32 H new ATOM 0 HB2 LEU A 63 10.668 8.769 7.072 1.00 0.33 H new ATOM 0 HB3 LEU A 63 12.073 8.079 7.859 1.00 0.33 H new ATOM 0 HG LEU A 63 9.588 9.052 9.304 1.00 0.40 H new ATOM 0 HD11 LEU A 63 9.113 6.654 9.637 1.00 1.01 H new ATOM 0 HD12 LEU A 63 9.123 7.087 7.911 1.00 1.01 H new ATOM 0 HD13 LEU A 63 10.516 6.239 8.624 1.00 1.01 H new ATOM 0 HD21 LEU A 63 10.548 7.866 11.235 1.00 0.65 H new ATOM 0 HD22 LEU A 63 11.999 7.487 10.276 1.00 0.65 H new ATOM 0 HD23 LEU A 63 11.611 9.178 10.673 1.00 0.65 H new ATOM 546 N GLY A 64 12.562 11.579 6.316 1.00 0.28 N ATOM 547 CA GLY A 64 13.371 11.936 5.174 1.00 0.30 C ATOM 548 C GLY A 64 13.188 10.944 4.057 1.00 0.27 C ATOM 549 O GLY A 64 14.024 10.831 3.162 1.00 0.33 O ATOM 0 H GLY A 64 11.807 12.232 6.526 1.00 0.28 H new ATOM 0 HA2 GLY A 64 13.100 12.934 4.828 1.00 0.30 H new ATOM 0 HA3 GLY A 64 14.421 11.974 5.464 1.00 0.30 H new ATOM 553 N ILE A 65 12.082 10.221 4.112 1.00 0.22 N ATOM 554 CA ILE A 65 11.802 9.211 3.131 1.00 0.20 C ATOM 555 C ILE A 65 11.170 9.852 1.904 1.00 0.21 C ATOM 556 O ILE A 65 10.195 10.595 2.023 1.00 0.23 O ATOM 557 CB ILE A 65 10.867 8.103 3.668 1.00 0.18 C ATOM 558 CG1 ILE A 65 11.506 7.397 4.864 1.00 0.20 C ATOM 559 CG2 ILE A 65 10.547 7.092 2.572 1.00 0.19 C ATOM 560 CD1 ILE A 65 10.706 6.215 5.374 1.00 0.20 C ATOM 0 H ILE A 65 11.367 10.323 4.832 1.00 0.22 H new ATOM 0 HA ILE A 65 12.751 8.741 2.873 1.00 0.20 H new ATOM 0 HB ILE A 65 9.937 8.570 3.993 1.00 0.18 H new ATOM 0 HG12 ILE A 65 12.502 7.056 4.583 1.00 0.20 H new ATOM 0 HG13 ILE A 65 11.632 8.116 5.674 1.00 0.20 H new ATOM 0 HG21 ILE A 65 9.888 6.320 2.970 1.00 0.19 H new ATOM 0 HG22 ILE A 65 10.053 7.599 1.743 1.00 0.19 H new ATOM 0 HG23 ILE A 65 11.471 6.633 2.219 1.00 0.19 H new ATOM 0 HD11 ILE A 65 11.222 5.765 6.222 1.00 0.20 H new ATOM 0 HD12 ILE A 65 9.718 6.552 5.687 1.00 0.20 H new ATOM 0 HD13 ILE A 65 10.602 5.476 4.580 1.00 0.20 H new ATOM 572 N PRO A 66 11.753 9.613 0.724 1.00 0.24 N ATOM 573 CA PRO A 66 11.164 10.029 -0.547 1.00 0.27 C ATOM 574 C PRO A 66 9.700 9.614 -0.625 1.00 0.22 C ATOM 575 O PRO A 66 9.359 8.521 -0.196 1.00 0.23 O ATOM 576 CB PRO A 66 11.969 9.246 -1.579 1.00 0.35 C ATOM 577 CG PRO A 66 13.271 8.916 -0.930 1.00 0.26 C ATOM 578 CD PRO A 66 13.045 8.931 0.553 1.00 0.31 C ATOM 0 HA PRO A 66 11.194 11.109 -0.690 1.00 0.27 H new ATOM 0 HB2 PRO A 66 11.442 8.340 -1.877 1.00 0.35 H new ATOM 0 HB3 PRO A 66 12.123 9.837 -2.482 1.00 0.35 H new ATOM 0 HG2 PRO A 66 13.626 7.938 -1.255 1.00 0.26 H new ATOM 0 HG3 PRO A 66 14.035 9.641 -1.210 1.00 0.26 H new ATOM 0 HD2 PRO A 66 13.017 7.920 0.960 1.00 0.31 H new ATOM 0 HD3 PRO A 66 13.845 9.461 1.071 1.00 0.31 H new ATOM 586 N LYS A 67 8.832 10.470 -1.150 1.00 0.25 N ATOM 587 CA LYS A 67 7.403 10.161 -1.155 1.00 0.27 C ATOM 588 C LYS A 67 7.025 9.226 -2.313 1.00 0.25 C ATOM 589 O LYS A 67 5.947 8.634 -2.309 1.00 0.36 O ATOM 590 CB LYS A 67 6.559 11.448 -1.155 1.00 0.43 C ATOM 591 CG LYS A 67 6.667 12.313 -2.405 1.00 1.04 C ATOM 592 CD LYS A 67 5.662 11.879 -3.468 1.00 1.15 C ATOM 593 CE LYS A 67 5.476 12.924 -4.560 1.00 1.67 C ATOM 594 NZ LYS A 67 6.719 13.177 -5.330 1.00 2.42 N ATOM 0 H LYS A 67 9.082 11.365 -1.570 1.00 0.25 H new ATOM 0 HA LYS A 67 7.179 9.623 -0.234 1.00 0.27 H new ATOM 0 HB2 LYS A 67 5.513 11.174 -1.015 1.00 0.43 H new ATOM 0 HB3 LYS A 67 6.849 12.050 -0.294 1.00 0.43 H new ATOM 0 HG2 LYS A 67 6.495 13.357 -2.143 1.00 1.04 H new ATOM 0 HG3 LYS A 67 7.677 12.248 -2.809 1.00 1.04 H new ATOM 0 HD2 LYS A 67 5.996 10.944 -3.918 1.00 1.15 H new ATOM 0 HD3 LYS A 67 4.701 11.679 -2.994 1.00 1.15 H new ATOM 0 HE2 LYS A 67 4.692 12.595 -5.242 1.00 1.67 H new ATOM 0 HE3 LYS A 67 5.136 13.857 -4.110 1.00 1.67 H new ATOM 0 HZ1 LYS A 67 6.499 13.203 -6.346 1.00 2.42 H new ATOM 0 HZ2 LYS A 67 7.127 14.089 -5.041 1.00 2.42 H new ATOM 0 HZ3 LYS A 67 7.404 12.417 -5.144 1.00 2.42 H new ATOM 608 N ASP A 68 7.923 9.091 -3.285 1.00 0.28 N ATOM 609 CA ASP A 68 7.739 8.140 -4.386 1.00 0.28 C ATOM 610 C ASP A 68 8.326 6.798 -3.995 1.00 0.21 C ATOM 611 O ASP A 68 9.078 6.716 -3.036 1.00 0.23 O ATOM 612 CB ASP A 68 8.421 8.635 -5.668 1.00 0.39 C ATOM 613 CG ASP A 68 7.758 9.844 -6.288 1.00 1.12 C ATOM 614 OD1 ASP A 68 7.985 10.965 -5.791 1.00 1.65 O ATOM 615 OD2 ASP A 68 6.974 9.674 -7.243 1.00 1.88 O ATOM 0 H ASP A 68 8.789 9.628 -3.336 1.00 0.28 H new ATOM 0 HA ASP A 68 6.671 8.044 -4.579 1.00 0.28 H new ATOM 0 HB2 ASP A 68 9.460 8.877 -5.445 1.00 0.39 H new ATOM 0 HB3 ASP A 68 8.432 7.825 -6.398 1.00 0.39 H new ATOM 620 N PRO A 69 7.974 5.720 -4.706 1.00 0.19 N ATOM 621 CA PRO A 69 8.548 4.405 -4.451 1.00 0.20 C ATOM 622 C PRO A 69 9.865 4.163 -5.182 1.00 0.26 C ATOM 623 O PRO A 69 10.804 3.666 -4.592 1.00 0.65 O ATOM 624 CB PRO A 69 7.471 3.468 -4.982 1.00 0.40 C ATOM 625 CG PRO A 69 6.817 4.217 -6.094 1.00 0.37 C ATOM 626 CD PRO A 69 6.940 5.684 -5.758 1.00 0.22 C ATOM 0 HA PRO A 69 8.797 4.270 -3.399 1.00 0.20 H new ATOM 0 HB2 PRO A 69 7.903 2.532 -5.337 1.00 0.40 H new ATOM 0 HB3 PRO A 69 6.753 3.212 -4.203 1.00 0.40 H new ATOM 0 HG2 PRO A 69 7.299 3.996 -7.046 1.00 0.37 H new ATOM 0 HG3 PRO A 69 5.770 3.929 -6.192 1.00 0.37 H new ATOM 0 HD2 PRO A 69 7.235 6.270 -6.628 1.00 0.22 H new ATOM 0 HD3 PRO A 69 5.994 6.094 -5.403 1.00 0.22 H new ATOM 634 N ARG A 70 9.934 4.592 -6.441 1.00 0.20 N ATOM 635 CA ARG A 70 10.979 4.174 -7.399 1.00 0.26 C ATOM 636 C ARG A 70 12.420 4.552 -7.006 1.00 0.19 C ATOM 637 O ARG A 70 13.341 4.372 -7.801 1.00 0.27 O ATOM 638 CB ARG A 70 10.680 4.748 -8.791 1.00 0.46 C ATOM 639 CG ARG A 70 10.534 6.263 -8.821 1.00 0.96 C ATOM 640 CD ARG A 70 9.082 6.694 -8.659 1.00 0.87 C ATOM 641 NE ARG A 70 8.292 6.404 -9.855 1.00 1.06 N ATOM 642 CZ ARG A 70 7.185 7.068 -10.206 1.00 1.29 C ATOM 643 NH1 ARG A 70 6.720 8.062 -9.455 1.00 1.89 N ATOM 644 NH2 ARG A 70 6.542 6.746 -11.321 1.00 1.79 N ATOM 0 H ARG A 70 9.261 5.248 -6.838 1.00 0.20 H new ATOM 0 HA ARG A 70 10.939 3.085 -7.395 1.00 0.26 H new ATOM 0 HB2 ARG A 70 11.480 4.457 -9.471 1.00 0.46 H new ATOM 0 HB3 ARG A 70 9.762 4.298 -9.168 1.00 0.46 H new ATOM 0 HG2 ARG A 70 11.135 6.702 -8.024 1.00 0.96 H new ATOM 0 HG3 ARG A 70 10.924 6.647 -9.763 1.00 0.96 H new ATOM 0 HD2 ARG A 70 8.645 6.182 -7.802 1.00 0.87 H new ATOM 0 HD3 ARG A 70 9.042 7.762 -8.447 1.00 0.87 H new ATOM 0 HE ARG A 70 8.606 5.646 -10.461 1.00 1.06 H new ATOM 0 HH11 ARG A 70 7.209 8.327 -8.600 1.00 1.89 H new ATOM 0 HH12 ARG A 70 5.875 8.560 -9.734 1.00 1.89 H new ATOM 0 HH21 ARG A 70 6.892 5.991 -11.912 1.00 1.79 H new ATOM 0 HH22 ARG A 70 5.698 7.253 -11.588 1.00 1.79 H new ATOM 658 N GLN A 71 12.623 5.065 -5.810 1.00 0.16 N ATOM 659 CA GLN A 71 13.961 5.445 -5.368 1.00 0.16 C ATOM 660 C GLN A 71 14.187 5.077 -3.902 1.00 0.15 C ATOM 661 O GLN A 71 15.117 5.565 -3.262 1.00 0.18 O ATOM 662 CB GLN A 71 14.176 6.953 -5.560 1.00 0.20 C ATOM 663 CG GLN A 71 13.495 7.797 -4.496 1.00 0.38 C ATOM 664 CD GLN A 71 11.996 7.594 -4.451 1.00 0.26 C ATOM 665 OE1 GLN A 71 11.549 6.571 -3.722 1.00 0.89 O flip ATOM 666 NE2 GLN A 71 11.250 8.318 -5.093 1.00 0.29 N flip ATOM 0 H GLN A 71 11.886 5.230 -5.125 1.00 0.16 H new ATOM 0 HA GLN A 71 14.680 4.895 -5.975 1.00 0.16 H new ATOM 0 HB2 GLN A 71 15.245 7.164 -5.552 1.00 0.20 H new ATOM 0 HB3 GLN A 71 13.800 7.245 -6.541 1.00 0.20 H new ATOM 0 HG2 GLN A 71 13.918 7.554 -3.521 1.00 0.38 H new ATOM 0 HG3 GLN A 71 13.708 8.849 -4.683 1.00 0.38 H new ATOM 0 HE21 GLN A 71 11.633 9.090 -5.638 1.00 0.29 H new ATOM 0 HE22 GLN A 71 10.244 8.150 -5.084 1.00 0.29 H new ATOM 675 N TRP A 72 13.338 4.216 -3.371 1.00 0.12 N ATOM 676 CA TRP A 72 13.420 3.839 -1.973 1.00 0.11 C ATOM 677 C TRP A 72 14.521 2.821 -1.730 1.00 0.12 C ATOM 678 O TRP A 72 14.983 2.148 -2.645 1.00 0.14 O ATOM 679 CB TRP A 72 12.089 3.215 -1.550 1.00 0.11 C ATOM 680 CG TRP A 72 11.065 4.193 -1.092 1.00 0.09 C ATOM 681 CD1 TRP A 72 11.244 5.511 -0.806 1.00 0.10 C ATOM 682 CD2 TRP A 72 9.687 3.913 -0.849 1.00 0.08 C ATOM 683 NE1 TRP A 72 10.054 6.065 -0.415 1.00 0.10 N ATOM 684 CE2 TRP A 72 9.082 5.105 -0.436 1.00 0.08 C ATOM 685 CE3 TRP A 72 8.908 2.769 -0.955 1.00 0.09 C ATOM 686 CZ2 TRP A 72 7.727 5.182 -0.123 1.00 0.09 C ATOM 687 CZ3 TRP A 72 7.570 2.845 -0.644 1.00 0.10 C ATOM 688 CH2 TRP A 72 6.991 4.043 -0.236 1.00 0.10 C ATOM 0 H TRP A 72 12.583 3.765 -3.888 1.00 0.12 H new ATOM 0 HA TRP A 72 13.641 4.736 -1.395 1.00 0.11 H new ATOM 0 HB2 TRP A 72 11.684 2.651 -2.390 1.00 0.11 H new ATOM 0 HB3 TRP A 72 12.276 2.502 -0.747 1.00 0.11 H new ATOM 0 HD1 TRP A 72 12.183 6.040 -0.877 1.00 0.10 H new ATOM 0 HE1 TRP A 72 9.915 7.040 -0.150 1.00 0.10 H new ATOM 0 HE3 TRP A 72 9.345 1.835 -1.276 1.00 0.09 H new ATOM 0 HZ2 TRP A 72 7.278 6.110 0.197 1.00 0.09 H new ATOM 0 HZ3 TRP A 72 6.958 1.959 -0.718 1.00 0.10 H new ATOM 0 HH2 TRP A 72 5.936 4.069 -0.004 1.00 0.10 H new ATOM 699 N THR A 73 14.983 2.760 -0.501 1.00 0.14 N ATOM 700 CA THR A 73 15.855 1.692 -0.081 1.00 0.15 C ATOM 701 C THR A 73 15.012 0.528 0.419 1.00 0.15 C ATOM 702 O THR A 73 13.794 0.680 0.574 1.00 0.16 O ATOM 703 CB THR A 73 16.808 2.165 1.032 1.00 0.18 C ATOM 704 OG1 THR A 73 16.051 2.635 2.156 1.00 0.19 O ATOM 705 CG2 THR A 73 17.713 3.286 0.537 1.00 0.21 C ATOM 0 H THR A 73 14.767 3.442 0.226 1.00 0.14 H new ATOM 0 HA THR A 73 16.459 1.375 -0.931 1.00 0.15 H new ATOM 0 HB THR A 73 17.427 1.318 1.328 1.00 0.18 H new ATOM 0 HG1 THR A 73 15.753 3.553 1.989 1.00 0.19 H new ATOM 0 HG21 THR A 73 18.376 3.601 1.343 1.00 0.21 H new ATOM 0 HG22 THR A 73 18.308 2.929 -0.304 1.00 0.21 H new ATOM 0 HG23 THR A 73 17.104 4.131 0.217 1.00 0.21 H new ATOM 713 N GLU A 74 15.632 -0.613 0.677 1.00 0.17 N ATOM 714 CA GLU A 74 14.903 -1.783 1.161 1.00 0.20 C ATOM 715 C GLU A 74 14.118 -1.444 2.431 1.00 0.19 C ATOM 716 O GLU A 74 12.997 -1.918 2.633 1.00 0.28 O ATOM 717 CB GLU A 74 15.857 -2.966 1.407 1.00 0.29 C ATOM 718 CG GLU A 74 16.807 -2.803 2.592 1.00 1.25 C ATOM 719 CD GLU A 74 17.706 -1.589 2.483 1.00 1.79 C ATOM 720 OE1 GLU A 74 18.577 -1.568 1.584 1.00 1.99 O ATOM 721 OE2 GLU A 74 17.561 -0.661 3.303 1.00 2.67 O ATOM 0 H GLU A 74 16.635 -0.757 0.561 1.00 0.17 H new ATOM 0 HA GLU A 74 14.193 -2.081 0.390 1.00 0.20 H new ATOM 0 HB2 GLU A 74 15.261 -3.866 1.561 1.00 0.29 H new ATOM 0 HB3 GLU A 74 16.450 -3.127 0.507 1.00 0.29 H new ATOM 0 HG2 GLU A 74 16.222 -2.731 3.509 1.00 1.25 H new ATOM 0 HG3 GLU A 74 17.425 -3.697 2.677 1.00 1.25 H new ATOM 728 N THR A 75 14.692 -0.579 3.260 1.00 0.18 N ATOM 729 CA THR A 75 14.068 -0.188 4.509 1.00 0.21 C ATOM 730 C THR A 75 12.927 0.796 4.273 1.00 0.17 C ATOM 731 O THR A 75 11.915 0.747 4.963 1.00 0.20 O ATOM 732 CB THR A 75 15.100 0.435 5.469 1.00 0.29 C ATOM 733 OG1 THR A 75 16.207 -0.461 5.627 1.00 0.47 O ATOM 734 CG2 THR A 75 14.482 0.717 6.831 1.00 0.47 C ATOM 0 H THR A 75 15.594 -0.136 3.084 1.00 0.18 H new ATOM 0 HA THR A 75 13.661 -1.091 4.964 1.00 0.21 H new ATOM 0 HB THR A 75 15.439 1.379 5.042 1.00 0.29 H new ATOM 0 HG1 THR A 75 16.749 -0.458 4.811 1.00 0.47 H new ATOM 0 HG21 THR A 75 15.233 1.156 7.488 1.00 0.47 H new ATOM 0 HG22 THR A 75 13.650 1.411 6.716 1.00 0.47 H new ATOM 0 HG23 THR A 75 14.120 -0.214 7.266 1.00 0.47 H new ATOM 742 N HIS A 76 13.065 1.653 3.262 1.00 0.14 N ATOM 743 CA HIS A 76 12.057 2.680 3.005 1.00 0.12 C ATOM 744 C HIS A 76 10.797 2.031 2.451 1.00 0.10 C ATOM 745 O HIS A 76 9.674 2.388 2.828 1.00 0.10 O ATOM 746 CB HIS A 76 12.580 3.748 2.031 1.00 0.14 C ATOM 747 CG HIS A 76 13.544 4.715 2.648 1.00 0.15 C ATOM 748 ND1 HIS A 76 14.493 5.402 1.921 1.00 0.20 N ATOM 749 CD2 HIS A 76 13.682 5.130 3.926 1.00 0.16 C ATOM 750 CE1 HIS A 76 15.175 6.190 2.726 1.00 0.22 C ATOM 751 NE2 HIS A 76 14.703 6.045 3.948 1.00 0.19 N ATOM 0 H HIS A 76 13.854 1.658 2.615 1.00 0.14 H new ATOM 0 HA HIS A 76 11.826 3.178 3.947 1.00 0.12 H new ATOM 0 HB2 HIS A 76 13.066 3.252 1.191 1.00 0.14 H new ATOM 0 HB3 HIS A 76 11.733 4.303 1.627 1.00 0.14 H new ATOM 0 HD2 HIS A 76 13.097 4.802 4.773 1.00 0.16 H new ATOM 0 HE1 HIS A 76 15.984 6.844 2.434 1.00 0.22 H new ATOM 0 HE2 HIS A 76 15.042 6.534 4.776 1.00 0.19 H new ATOM 760 N VAL A 77 10.998 1.054 1.575 1.00 0.09 N ATOM 761 CA VAL A 77 9.906 0.292 1.028 1.00 0.07 C ATOM 762 C VAL A 77 9.207 -0.454 2.152 1.00 0.08 C ATOM 763 O VAL A 77 8.002 -0.343 2.312 1.00 0.08 O ATOM 764 CB VAL A 77 10.398 -0.703 -0.046 1.00 0.08 C ATOM 765 CG1 VAL A 77 9.286 -1.663 -0.434 1.00 0.09 C ATOM 766 CG2 VAL A 77 10.917 0.045 -1.275 1.00 0.08 C ATOM 0 H VAL A 77 11.918 0.777 1.232 1.00 0.09 H new ATOM 0 HA VAL A 77 9.208 0.978 0.548 1.00 0.07 H new ATOM 0 HB VAL A 77 11.220 -1.283 0.374 1.00 0.08 H new ATOM 0 HG11 VAL A 77 9.652 -2.356 -1.192 1.00 0.09 H new ATOM 0 HG12 VAL A 77 8.965 -2.222 0.445 1.00 0.09 H new ATOM 0 HG13 VAL A 77 8.443 -1.100 -0.834 1.00 0.09 H new ATOM 0 HG21 VAL A 77 11.259 -0.673 -2.020 1.00 0.08 H new ATOM 0 HG22 VAL A 77 10.116 0.652 -1.697 1.00 0.08 H new ATOM 0 HG23 VAL A 77 11.746 0.690 -0.985 1.00 0.08 H new ATOM 776 N ARG A 78 9.988 -1.167 2.958 1.00 0.09 N ATOM 777 CA ARG A 78 9.447 -1.926 4.080 1.00 0.11 C ATOM 778 C ARG A 78 8.710 -1.043 5.068 1.00 0.10 C ATOM 779 O ARG A 78 7.701 -1.457 5.627 1.00 0.14 O ATOM 780 CB ARG A 78 10.546 -2.666 4.812 1.00 0.18 C ATOM 781 CG ARG A 78 10.943 -3.970 4.152 1.00 0.37 C ATOM 782 CD ARG A 78 11.842 -4.773 5.066 1.00 0.40 C ATOM 783 NE ARG A 78 11.190 -5.101 6.332 1.00 1.11 N ATOM 784 CZ ARG A 78 11.796 -5.031 7.520 1.00 1.43 C ATOM 785 NH1 ARG A 78 13.044 -4.584 7.605 1.00 1.57 N ATOM 786 NH2 ARG A 78 11.146 -5.388 8.622 1.00 2.21 N ATOM 0 H ARG A 78 11.000 -1.235 2.854 1.00 0.09 H new ATOM 0 HA ARG A 78 8.739 -2.638 3.656 1.00 0.11 H new ATOM 0 HB2 ARG A 78 11.423 -2.022 4.881 1.00 0.18 H new ATOM 0 HB3 ARG A 78 10.219 -2.869 5.832 1.00 0.18 H new ATOM 0 HG2 ARG A 78 10.051 -4.548 3.909 1.00 0.37 H new ATOM 0 HG3 ARG A 78 11.457 -3.767 3.212 1.00 0.37 H new ATOM 0 HD2 ARG A 78 12.140 -5.693 4.563 1.00 0.40 H new ATOM 0 HD3 ARG A 78 12.753 -4.209 5.264 1.00 0.40 H new ATOM 0 HE ARG A 78 10.215 -5.401 6.307 1.00 1.11 H new ATOM 0 HH11 ARG A 78 13.540 -4.294 6.762 1.00 1.57 H new ATOM 0 HH12 ARG A 78 13.506 -4.531 8.513 1.00 1.57 H new ATOM 0 HH21 ARG A 78 10.182 -5.716 8.562 1.00 2.21 H new ATOM 0 HH22 ARG A 78 11.611 -5.334 9.528 1.00 2.21 H new ATOM 800 N ASP A 79 9.230 0.157 5.289 1.00 0.11 N ATOM 801 CA ASP A 79 8.583 1.130 6.163 1.00 0.12 C ATOM 802 C ASP A 79 7.137 1.309 5.751 1.00 0.11 C ATOM 803 O ASP A 79 6.201 1.103 6.533 1.00 0.12 O ATOM 804 CB ASP A 79 9.293 2.481 6.070 1.00 0.16 C ATOM 805 CG ASP A 79 10.471 2.613 7.015 1.00 0.57 C ATOM 806 OD1 ASP A 79 10.371 2.156 8.176 1.00 1.05 O ATOM 807 OD2 ASP A 79 11.504 3.182 6.603 1.00 0.95 O ATOM 0 H ASP A 79 10.103 0.482 4.873 1.00 0.11 H new ATOM 0 HA ASP A 79 8.635 0.762 7.188 1.00 0.12 H new ATOM 0 HB2 ASP A 79 9.640 2.630 5.047 1.00 0.16 H new ATOM 0 HB3 ASP A 79 8.576 3.274 6.283 1.00 0.16 H new ATOM 812 N TRP A 80 6.962 1.632 4.484 1.00 0.10 N ATOM 813 CA TRP A 80 5.652 1.875 3.929 1.00 0.09 C ATOM 814 C TRP A 80 4.899 0.560 3.769 1.00 0.09 C ATOM 815 O TRP A 80 3.672 0.501 3.903 1.00 0.09 O ATOM 816 CB TRP A 80 5.848 2.571 2.589 1.00 0.09 C ATOM 817 CG TRP A 80 4.757 2.348 1.611 1.00 0.09 C ATOM 818 CD1 TRP A 80 3.635 3.091 1.440 1.00 0.10 C ATOM 819 CD2 TRP A 80 4.709 1.301 0.647 1.00 0.09 C ATOM 820 NE1 TRP A 80 2.896 2.573 0.409 1.00 0.10 N ATOM 821 CE2 TRP A 80 3.537 1.470 -0.089 1.00 0.09 C ATOM 822 CE3 TRP A 80 5.557 0.240 0.337 1.00 0.10 C ATOM 823 CZ2 TRP A 80 3.188 0.617 -1.122 1.00 0.09 C ATOM 824 CZ3 TRP A 80 5.205 -0.611 -0.684 1.00 0.11 C ATOM 825 CH2 TRP A 80 4.032 -0.417 -1.408 1.00 0.10 C ATOM 0 H TRP A 80 7.725 1.732 3.815 1.00 0.10 H new ATOM 0 HA TRP A 80 5.056 2.506 4.589 1.00 0.09 H new ATOM 0 HB2 TRP A 80 5.949 3.642 2.763 1.00 0.09 H new ATOM 0 HB3 TRP A 80 6.786 2.229 2.151 1.00 0.09 H new ATOM 0 HD1 TRP A 80 3.366 3.957 2.026 1.00 0.10 H new ATOM 0 HE1 TRP A 80 2.011 2.948 0.068 1.00 0.10 H new ATOM 0 HE3 TRP A 80 6.473 0.089 0.888 1.00 0.10 H new ATOM 0 HZ2 TRP A 80 2.277 0.765 -1.683 1.00 0.09 H new ATOM 0 HZ3 TRP A 80 5.849 -1.443 -0.928 1.00 0.11 H new ATOM 0 HH2 TRP A 80 3.785 -1.097 -2.210 1.00 0.10 H new ATOM 836 N VAL A 81 5.668 -0.487 3.508 1.00 0.10 N ATOM 837 CA VAL A 81 5.147 -1.823 3.298 1.00 0.11 C ATOM 838 C VAL A 81 4.425 -2.302 4.545 1.00 0.11 C ATOM 839 O VAL A 81 3.235 -2.606 4.519 1.00 0.11 O ATOM 840 CB VAL A 81 6.307 -2.787 2.924 1.00 0.13 C ATOM 841 CG1 VAL A 81 6.111 -4.189 3.470 1.00 0.14 C ATOM 842 CG2 VAL A 81 6.481 -2.845 1.419 1.00 0.14 C ATOM 0 H VAL A 81 6.684 -0.428 3.436 1.00 0.10 H new ATOM 0 HA VAL A 81 4.432 -1.807 2.475 1.00 0.11 H new ATOM 0 HB VAL A 81 7.207 -2.383 3.388 1.00 0.13 H new ATOM 0 HG11 VAL A 81 6.953 -4.815 3.176 1.00 0.14 H new ATOM 0 HG12 VAL A 81 6.050 -4.151 4.558 1.00 0.14 H new ATOM 0 HG13 VAL A 81 5.189 -4.610 3.070 1.00 0.14 H new ATOM 0 HG21 VAL A 81 7.297 -3.524 1.173 1.00 0.14 H new ATOM 0 HG22 VAL A 81 5.560 -3.203 0.960 1.00 0.14 H new ATOM 0 HG23 VAL A 81 6.711 -1.849 1.041 1.00 0.14 H new ATOM 852 N MET A 82 5.140 -2.341 5.646 1.00 0.11 N ATOM 853 CA MET A 82 4.540 -2.755 6.891 1.00 0.12 C ATOM 854 C MET A 82 3.565 -1.718 7.437 1.00 0.11 C ATOM 855 O MET A 82 2.778 -2.046 8.309 1.00 0.12 O ATOM 856 CB MET A 82 5.599 -3.113 7.924 1.00 0.15 C ATOM 857 CG MET A 82 6.453 -1.943 8.378 1.00 0.13 C ATOM 858 SD MET A 82 7.846 -2.476 9.388 1.00 0.49 S ATOM 859 CE MET A 82 7.003 -3.466 10.616 1.00 0.42 C ATOM 0 H MET A 82 6.128 -2.094 5.704 1.00 0.11 H new ATOM 0 HA MET A 82 3.961 -3.653 6.678 1.00 0.12 H new ATOM 0 HB2 MET A 82 5.108 -3.548 8.794 1.00 0.15 H new ATOM 0 HB3 MET A 82 6.250 -3.882 7.508 1.00 0.15 H new ATOM 0 HG2 MET A 82 6.823 -1.404 7.506 1.00 0.13 H new ATOM 0 HG3 MET A 82 5.839 -1.245 8.947 1.00 0.13 H new ATOM 0 HE1 MET A 82 7.693 -3.708 11.425 1.00 0.42 H new ATOM 0 HE2 MET A 82 6.157 -2.907 11.016 1.00 0.42 H new ATOM 0 HE3 MET A 82 6.645 -4.388 10.157 1.00 0.42 H new ATOM 869 N TRP A 83 3.595 -0.477 6.947 1.00 0.09 N ATOM 870 CA TRP A 83 2.673 0.531 7.464 1.00 0.09 C ATOM 871 C TRP A 83 1.230 0.236 7.061 1.00 0.09 C ATOM 872 O TRP A 83 0.371 0.072 7.921 1.00 0.11 O ATOM 873 CB TRP A 83 3.064 1.949 7.018 1.00 0.09 C ATOM 874 CG TRP A 83 2.088 2.986 7.473 1.00 0.10 C ATOM 875 CD1 TRP A 83 2.073 3.626 8.673 1.00 0.12 C ATOM 876 CD2 TRP A 83 0.979 3.492 6.728 1.00 0.11 C ATOM 877 NE1 TRP A 83 1.020 4.503 8.721 1.00 0.14 N ATOM 878 CE2 TRP A 83 0.333 4.440 7.537 1.00 0.13 C ATOM 879 CE3 TRP A 83 0.472 3.236 5.452 1.00 0.12 C ATOM 880 CZ2 TRP A 83 -0.796 5.129 7.110 1.00 0.15 C ATOM 881 CZ3 TRP A 83 -0.645 3.920 5.032 1.00 0.14 C ATOM 882 CH2 TRP A 83 -1.266 4.856 5.856 1.00 0.15 C ATOM 0 H TRP A 83 4.228 -0.154 6.215 1.00 0.09 H new ATOM 0 HA TRP A 83 2.744 0.484 8.551 1.00 0.09 H new ATOM 0 HB2 TRP A 83 4.052 2.189 7.410 1.00 0.09 H new ATOM 0 HB3 TRP A 83 3.137 1.976 5.931 1.00 0.09 H new ATOM 0 HD1 TRP A 83 2.785 3.467 9.470 1.00 0.12 H new ATOM 0 HE1 TRP A 83 0.786 5.105 9.510 1.00 0.14 H new ATOM 0 HE3 TRP A 83 0.949 2.513 4.806 1.00 0.12 H new ATOM 0 HZ2 TRP A 83 -1.284 5.853 7.746 1.00 0.15 H new ATOM 0 HZ3 TRP A 83 -1.047 3.728 4.048 1.00 0.14 H new ATOM 0 HH2 TRP A 83 -2.140 5.378 5.495 1.00 0.15 H new ATOM 893 N ALA A 84 0.946 0.164 5.768 1.00 0.09 N ATOM 894 CA ALA A 84 -0.422 -0.122 5.343 1.00 0.10 C ATOM 895 C ALA A 84 -0.838 -1.469 5.913 1.00 0.10 C ATOM 896 O ALA A 84 -1.983 -1.683 6.307 1.00 0.12 O ATOM 897 CB ALA A 84 -0.550 -0.101 3.827 1.00 0.12 C ATOM 0 H ALA A 84 1.620 0.295 5.013 1.00 0.09 H new ATOM 0 HA ALA A 84 -1.086 0.654 5.722 1.00 0.10 H new ATOM 0 HB1 ALA A 84 -1.581 -0.318 3.546 1.00 0.12 H new ATOM 0 HB2 ALA A 84 -0.271 0.884 3.452 1.00 0.12 H new ATOM 0 HB3 ALA A 84 0.110 -0.854 3.396 1.00 0.12 H new ATOM 903 N VAL A 85 0.139 -2.354 5.976 1.00 0.10 N ATOM 904 CA VAL A 85 -0.005 -3.641 6.621 1.00 0.11 C ATOM 905 C VAL A 85 -0.395 -3.521 8.101 1.00 0.13 C ATOM 906 O VAL A 85 -1.406 -4.083 8.517 1.00 0.14 O ATOM 907 CB VAL A 85 1.307 -4.453 6.464 1.00 0.12 C ATOM 908 CG1 VAL A 85 1.472 -5.518 7.543 1.00 0.15 C ATOM 909 CG2 VAL A 85 1.357 -5.090 5.089 1.00 0.14 C ATOM 0 H VAL A 85 1.064 -2.196 5.576 1.00 0.10 H new ATOM 0 HA VAL A 85 -0.823 -4.166 6.128 1.00 0.11 H new ATOM 0 HB VAL A 85 2.135 -3.754 6.579 1.00 0.12 H new ATOM 0 HG11 VAL A 85 2.407 -6.055 7.384 1.00 0.15 H new ATOM 0 HG12 VAL A 85 1.489 -5.043 8.524 1.00 0.15 H new ATOM 0 HG13 VAL A 85 0.638 -6.218 7.494 1.00 0.15 H new ATOM 0 HG21 VAL A 85 2.281 -5.659 4.985 1.00 0.14 H new ATOM 0 HG22 VAL A 85 0.504 -5.757 4.966 1.00 0.14 H new ATOM 0 HG23 VAL A 85 1.322 -4.312 4.326 1.00 0.14 H new ATOM 919 N ASN A 86 0.384 -2.800 8.900 1.00 0.15 N ATOM 920 CA ASN A 86 0.141 -2.783 10.336 1.00 0.19 C ATOM 921 C ASN A 86 -1.099 -1.978 10.711 1.00 0.23 C ATOM 922 O ASN A 86 -1.681 -2.198 11.768 1.00 0.27 O ATOM 923 CB ASN A 86 1.371 -2.350 11.160 1.00 0.23 C ATOM 924 CG ASN A 86 1.862 -0.927 10.930 1.00 0.34 C ATOM 925 OD1 ASN A 86 1.002 -0.067 10.445 1.00 0.61 O flip ATOM 926 ND2 ASN A 86 3.028 -0.620 11.167 1.00 0.32 N flip ATOM 0 H ASN A 86 1.171 -2.232 8.587 1.00 0.15 H new ATOM 0 HA ASN A 86 -0.056 -3.821 10.604 1.00 0.19 H new ATOM 0 HB2 ASN A 86 1.134 -2.465 12.218 1.00 0.23 H new ATOM 0 HB3 ASN A 86 2.190 -3.035 10.941 1.00 0.23 H new ATOM 0 HD21 ASN A 86 3.672 -1.315 11.545 1.00 0.32 H new ATOM 0 HD22 ASN A 86 3.352 0.330 10.986 1.00 0.32 H new ATOM 933 N GLU A 87 -1.519 -1.061 9.843 1.00 0.24 N ATOM 934 CA GLU A 87 -2.711 -0.266 10.115 1.00 0.31 C ATOM 935 C GLU A 87 -3.932 -1.127 9.867 1.00 0.28 C ATOM 936 O GLU A 87 -4.934 -1.054 10.577 1.00 0.35 O ATOM 937 CB GLU A 87 -2.752 0.975 9.230 1.00 0.38 C ATOM 938 CG GLU A 87 -1.604 1.931 9.487 1.00 1.23 C ATOM 939 CD GLU A 87 -1.645 2.532 10.876 1.00 1.35 C ATOM 940 OE1 GLU A 87 -2.400 3.502 11.089 1.00 1.08 O ATOM 941 OE2 GLU A 87 -0.927 2.034 11.766 1.00 2.15 O ATOM 0 H GLU A 87 -1.058 -0.852 8.957 1.00 0.24 H new ATOM 0 HA GLU A 87 -2.693 0.068 11.152 1.00 0.31 H new ATOM 0 HB2 GLU A 87 -2.733 0.668 8.184 1.00 0.38 H new ATOM 0 HB3 GLU A 87 -3.695 1.498 9.392 1.00 0.38 H new ATOM 0 HG2 GLU A 87 -0.660 1.404 9.351 1.00 1.23 H new ATOM 0 HG3 GLU A 87 -1.631 2.732 8.748 1.00 1.23 H new ATOM 948 N PHE A 88 -3.815 -1.958 8.844 1.00 0.23 N ATOM 949 CA PHE A 88 -4.840 -2.923 8.496 1.00 0.23 C ATOM 950 C PHE A 88 -4.785 -4.142 9.400 1.00 0.25 C ATOM 951 O PHE A 88 -5.592 -5.064 9.265 1.00 0.30 O ATOM 952 CB PHE A 88 -4.659 -3.361 7.052 1.00 0.24 C ATOM 953 CG PHE A 88 -5.527 -2.606 6.096 1.00 0.28 C ATOM 954 CD1 PHE A 88 -6.839 -2.981 5.888 1.00 0.41 C ATOM 955 CD2 PHE A 88 -5.021 -1.523 5.393 1.00 0.42 C ATOM 956 CE1 PHE A 88 -7.630 -2.291 4.997 1.00 0.47 C ATOM 957 CE2 PHE A 88 -5.812 -0.828 4.503 1.00 0.50 C ATOM 958 CZ PHE A 88 -7.153 -1.203 4.345 1.00 0.45 C ATOM 0 H PHE A 88 -3.001 -1.981 8.230 1.00 0.23 H new ATOM 0 HA PHE A 88 -5.811 -2.444 8.625 1.00 0.23 H new ATOM 0 HB2 PHE A 88 -3.615 -3.230 6.767 1.00 0.24 H new ATOM 0 HB3 PHE A 88 -4.880 -4.425 6.971 1.00 0.24 H new ATOM 0 HD1 PHE A 88 -7.248 -3.822 6.428 1.00 0.41 H new ATOM 0 HD2 PHE A 88 -3.995 -1.220 5.544 1.00 0.42 H new ATOM 0 HE1 PHE A 88 -8.642 -2.621 4.816 1.00 0.47 H new ATOM 0 HE2 PHE A 88 -5.403 -0.005 3.935 1.00 0.50 H new ATOM 0 HZ PHE A 88 -7.805 -0.626 3.705 1.00 0.45 H new ATOM 968 N SER A 89 -3.822 -4.131 10.320 1.00 0.27 N ATOM 969 CA SER A 89 -3.584 -5.256 11.211 1.00 0.34 C ATOM 970 C SER A 89 -3.342 -6.537 10.415 1.00 0.36 C ATOM 971 O SER A 89 -3.785 -7.618 10.805 1.00 0.48 O ATOM 972 CB SER A 89 -4.765 -5.425 12.170 1.00 0.45 C ATOM 973 OG SER A 89 -5.010 -4.222 12.882 1.00 1.07 O ATOM 0 H SER A 89 -3.190 -3.344 10.465 1.00 0.27 H new ATOM 0 HA SER A 89 -2.687 -5.053 11.796 1.00 0.34 H new ATOM 0 HB2 SER A 89 -5.656 -5.710 11.611 1.00 0.45 H new ATOM 0 HB3 SER A 89 -4.557 -6.233 12.872 1.00 0.45 H new ATOM 0 HG SER A 89 -5.769 -4.350 13.488 1.00 1.07 H new ATOM 979 N LEU A 90 -2.631 -6.413 9.295 1.00 0.31 N ATOM 980 CA LEU A 90 -2.329 -7.560 8.456 1.00 0.40 C ATOM 981 C LEU A 90 -1.301 -8.416 9.169 1.00 0.59 C ATOM 982 O LEU A 90 -1.421 -9.635 9.229 1.00 1.23 O ATOM 983 CB LEU A 90 -1.804 -7.070 7.101 1.00 0.33 C ATOM 984 CG LEU A 90 -2.681 -5.993 6.458 1.00 0.24 C ATOM 985 CD1 LEU A 90 -2.118 -5.559 5.123 1.00 0.29 C ATOM 986 CD2 LEU A 90 -4.103 -6.506 6.286 1.00 0.27 C ATOM 0 H LEU A 90 -2.256 -5.529 8.952 1.00 0.31 H new ATOM 0 HA LEU A 90 -3.222 -8.158 8.275 1.00 0.40 H new ATOM 0 HB2 LEU A 90 -0.796 -6.676 7.232 1.00 0.33 H new ATOM 0 HB3 LEU A 90 -1.728 -7.919 6.421 1.00 0.33 H new ATOM 0 HG LEU A 90 -2.693 -5.127 7.119 1.00 0.24 H new ATOM 0 HD11 LEU A 90 -2.761 -4.793 4.689 1.00 0.29 H new ATOM 0 HD12 LEU A 90 -1.116 -5.154 5.265 1.00 0.29 H new ATOM 0 HD13 LEU A 90 -2.071 -6.417 4.452 1.00 0.29 H new ATOM 0 HD21 LEU A 90 -4.717 -5.730 5.828 1.00 0.27 H new ATOM 0 HD22 LEU A 90 -4.096 -7.389 5.647 1.00 0.27 H new ATOM 0 HD23 LEU A 90 -4.516 -6.767 7.260 1.00 0.27 H new ATOM 998 N LYS A 91 -0.302 -7.722 9.711 1.00 0.24 N ATOM 999 CA LYS A 91 0.620 -8.248 10.719 1.00 0.39 C ATOM 1000 C LYS A 91 1.225 -9.612 10.377 1.00 0.26 C ATOM 1001 O LYS A 91 1.673 -10.334 11.264 1.00 0.39 O ATOM 1002 CB LYS A 91 -0.097 -8.323 12.063 1.00 0.78 C ATOM 1003 CG LYS A 91 0.765 -7.872 13.220 1.00 1.31 C ATOM 1004 CD LYS A 91 1.101 -6.392 13.109 1.00 1.49 C ATOM 1005 CE LYS A 91 1.710 -5.846 14.392 1.00 1.91 C ATOM 1006 NZ LYS A 91 2.883 -6.641 14.846 1.00 2.48 N ATOM 0 H LYS A 91 -0.105 -6.754 9.456 1.00 0.24 H new ATOM 0 HA LYS A 91 1.461 -7.555 10.756 1.00 0.39 H new ATOM 0 HB2 LYS A 91 -0.995 -7.706 12.024 1.00 0.78 H new ATOM 0 HB3 LYS A 91 -0.422 -9.349 12.238 1.00 0.78 H new ATOM 0 HG2 LYS A 91 0.246 -8.061 14.160 1.00 1.31 H new ATOM 0 HG3 LYS A 91 1.685 -8.456 13.241 1.00 1.31 H new ATOM 0 HD2 LYS A 91 1.797 -6.240 12.284 1.00 1.49 H new ATOM 0 HD3 LYS A 91 0.197 -5.832 12.871 1.00 1.49 H new ATOM 0 HE2 LYS A 91 2.015 -4.811 14.235 1.00 1.91 H new ATOM 0 HE3 LYS A 91 0.953 -5.840 15.176 1.00 1.91 H new ATOM 0 HZ1 LYS A 91 3.344 -6.156 15.642 1.00 2.48 H new ATOM 0 HZ2 LYS A 91 2.566 -7.583 15.151 1.00 2.48 H new ATOM 0 HZ3 LYS A 91 3.559 -6.740 14.062 1.00 2.48 H new ATOM 1020 N GLY A 92 1.251 -9.964 9.108 1.00 0.26 N ATOM 1021 CA GLY A 92 1.845 -11.217 8.701 1.00 0.31 C ATOM 1022 C GLY A 92 2.401 -11.112 7.304 1.00 0.31 C ATOM 1023 O GLY A 92 2.070 -11.902 6.422 1.00 0.47 O ATOM 0 H GLY A 92 0.870 -9.403 8.346 1.00 0.26 H new ATOM 0 HA2 GLY A 92 2.640 -11.491 9.395 1.00 0.31 H new ATOM 0 HA3 GLY A 92 1.098 -12.010 8.742 1.00 0.31 H new ATOM 1027 N VAL A 93 3.229 -10.104 7.101 1.00 0.21 N ATOM 1028 CA VAL A 93 3.832 -9.849 5.817 1.00 0.21 C ATOM 1029 C VAL A 93 5.207 -10.489 5.761 1.00 0.20 C ATOM 1030 O VAL A 93 5.937 -10.493 6.754 1.00 0.22 O ATOM 1031 CB VAL A 93 3.906 -8.323 5.545 1.00 0.21 C ATOM 1032 CG1 VAL A 93 5.329 -7.840 5.301 1.00 0.21 C ATOM 1033 CG2 VAL A 93 3.027 -7.979 4.365 1.00 0.23 C ATOM 0 H VAL A 93 3.499 -9.441 7.827 1.00 0.21 H new ATOM 0 HA VAL A 93 3.215 -10.292 5.035 1.00 0.21 H new ATOM 0 HB VAL A 93 3.550 -7.811 6.439 1.00 0.21 H new ATOM 0 HG11 VAL A 93 5.322 -6.766 5.116 1.00 0.21 H new ATOM 0 HG12 VAL A 93 5.941 -8.053 6.177 1.00 0.21 H new ATOM 0 HG13 VAL A 93 5.744 -8.355 4.434 1.00 0.21 H new ATOM 0 HG21 VAL A 93 3.078 -6.907 4.173 1.00 0.23 H new ATOM 0 HG22 VAL A 93 3.371 -8.522 3.485 1.00 0.23 H new ATOM 0 HG23 VAL A 93 1.997 -8.259 4.585 1.00 0.23 H new ATOM 1043 N ASP A 94 5.546 -11.062 4.618 1.00 0.21 N ATOM 1044 CA ASP A 94 6.865 -11.624 4.428 1.00 0.24 C ATOM 1045 C ASP A 94 7.809 -10.495 4.094 1.00 0.21 C ATOM 1046 O ASP A 94 7.995 -10.164 2.927 1.00 0.20 O ATOM 1047 CB ASP A 94 6.875 -12.659 3.296 1.00 0.32 C ATOM 1048 CG ASP A 94 5.853 -13.756 3.494 1.00 1.02 C ATOM 1049 OD1 ASP A 94 6.101 -14.657 4.320 1.00 1.10 O ATOM 1050 OD2 ASP A 94 4.798 -13.730 2.824 1.00 1.94 O ATOM 0 H ASP A 94 4.926 -11.148 3.813 1.00 0.21 H new ATOM 0 HA ASP A 94 7.174 -12.133 5.341 1.00 0.24 H new ATOM 0 HB2 ASP A 94 6.682 -12.156 2.349 1.00 0.32 H new ATOM 0 HB3 ASP A 94 7.868 -13.103 3.225 1.00 0.32 H new ATOM 1055 N PHE A 95 8.393 -9.893 5.119 1.00 0.23 N ATOM 1056 CA PHE A 95 9.209 -8.702 4.948 1.00 0.24 C ATOM 1057 C PHE A 95 10.391 -8.989 4.030 1.00 0.23 C ATOM 1058 O PHE A 95 10.949 -8.084 3.412 1.00 0.28 O ATOM 1059 CB PHE A 95 9.718 -8.197 6.301 1.00 0.29 C ATOM 1060 CG PHE A 95 8.635 -7.934 7.310 1.00 0.37 C ATOM 1061 CD1 PHE A 95 7.969 -6.718 7.332 1.00 0.55 C ATOM 1062 CD2 PHE A 95 8.276 -8.904 8.233 1.00 0.41 C ATOM 1063 CE1 PHE A 95 6.968 -6.474 8.253 1.00 0.66 C ATOM 1064 CE2 PHE A 95 7.277 -8.664 9.158 1.00 0.52 C ATOM 1065 CZ PHE A 95 6.641 -7.449 9.187 1.00 0.61 C ATOM 0 H PHE A 95 8.316 -10.213 6.084 1.00 0.23 H new ATOM 0 HA PHE A 95 8.587 -7.931 4.494 1.00 0.24 H new ATOM 0 HB2 PHE A 95 10.411 -8.931 6.712 1.00 0.29 H new ATOM 0 HB3 PHE A 95 10.283 -7.278 6.144 1.00 0.29 H new ATOM 0 HD1 PHE A 95 8.236 -5.951 6.620 1.00 0.55 H new ATOM 0 HD2 PHE A 95 8.782 -9.858 8.229 1.00 0.41 H new ATOM 0 HE1 PHE A 95 6.443 -5.530 8.247 1.00 0.66 H new ATOM 0 HE2 PHE A 95 6.996 -9.435 9.860 1.00 0.52 H new ATOM 0 HZ PHE A 95 5.887 -7.251 9.935 1.00 0.61 H new ATOM 1075 N GLN A 96 10.762 -10.259 3.952 1.00 0.21 N ATOM 1076 CA GLN A 96 11.872 -10.690 3.110 1.00 0.24 C ATOM 1077 C GLN A 96 11.434 -10.887 1.666 1.00 0.21 C ATOM 1078 O GLN A 96 12.239 -10.763 0.746 1.00 0.25 O ATOM 1079 CB GLN A 96 12.491 -11.973 3.655 1.00 0.33 C ATOM 1080 CG GLN A 96 13.221 -11.763 4.971 1.00 1.06 C ATOM 1081 CD GLN A 96 14.366 -10.775 4.838 1.00 1.50 C ATOM 1082 OE1 GLN A 96 15.501 -11.158 4.567 1.00 2.08 O ATOM 1083 NE2 GLN A 96 14.080 -9.497 5.035 1.00 1.93 N ATOM 0 H GLN A 96 10.308 -11.015 4.465 1.00 0.21 H new ATOM 0 HA GLN A 96 12.624 -9.901 3.127 1.00 0.24 H new ATOM 0 HB2 GLN A 96 11.708 -12.718 3.794 1.00 0.33 H new ATOM 0 HB3 GLN A 96 13.187 -12.376 2.919 1.00 0.33 H new ATOM 0 HG2 GLN A 96 12.518 -11.403 5.722 1.00 1.06 H new ATOM 0 HG3 GLN A 96 13.607 -12.718 5.328 1.00 1.06 H new ATOM 0 HE21 GLN A 96 13.125 -9.217 5.258 1.00 1.93 H new ATOM 0 HE22 GLN A 96 14.815 -8.793 4.963 1.00 1.93 H new ATOM 1092 N LYS A 97 10.159 -11.189 1.462 1.00 0.18 N ATOM 1093 CA LYS A 97 9.615 -11.240 0.115 1.00 0.19 C ATOM 1094 C LYS A 97 9.345 -9.808 -0.309 1.00 0.17 C ATOM 1095 O LYS A 97 9.326 -9.471 -1.488 1.00 0.20 O ATOM 1096 CB LYS A 97 8.327 -12.074 0.065 1.00 0.23 C ATOM 1097 CG LYS A 97 8.099 -12.818 -1.251 1.00 0.26 C ATOM 1098 CD LYS A 97 7.691 -11.887 -2.383 1.00 0.25 C ATOM 1099 CE LYS A 97 7.424 -12.650 -3.674 1.00 0.38 C ATOM 1100 NZ LYS A 97 8.675 -13.125 -4.318 1.00 1.43 N ATOM 0 H LYS A 97 9.490 -11.400 2.203 1.00 0.18 H new ATOM 0 HA LYS A 97 10.322 -11.719 -0.562 1.00 0.19 H new ATOM 0 HB2 LYS A 97 8.348 -12.800 0.878 1.00 0.23 H new ATOM 0 HB3 LYS A 97 7.477 -11.416 0.247 1.00 0.23 H new ATOM 0 HG2 LYS A 97 9.011 -13.345 -1.529 1.00 0.26 H new ATOM 0 HG3 LYS A 97 7.325 -13.573 -1.109 1.00 0.26 H new ATOM 0 HD2 LYS A 97 6.796 -11.335 -2.095 1.00 0.25 H new ATOM 0 HD3 LYS A 97 8.478 -11.152 -2.551 1.00 0.25 H new ATOM 0 HE2 LYS A 97 6.780 -13.504 -3.462 1.00 0.38 H new ATOM 0 HE3 LYS A 97 6.882 -12.007 -4.368 1.00 0.38 H new ATOM 0 HZ1 LYS A 97 8.442 -13.638 -5.192 1.00 1.43 H new ATOM 0 HZ2 LYS A 97 9.280 -12.310 -4.545 1.00 1.43 H new ATOM 0 HZ3 LYS A 97 9.181 -13.760 -3.668 1.00 1.43 H new ATOM 1114 N PHE A 98 9.196 -8.967 0.705 1.00 0.16 N ATOM 1115 CA PHE A 98 8.979 -7.545 0.532 1.00 0.16 C ATOM 1116 C PHE A 98 10.304 -6.806 0.447 1.00 0.20 C ATOM 1117 O PHE A 98 10.370 -5.593 0.657 1.00 0.22 O ATOM 1118 CB PHE A 98 8.159 -6.997 1.693 1.00 0.15 C ATOM 1119 CG PHE A 98 6.689 -7.102 1.466 1.00 0.11 C ATOM 1120 CD1 PHE A 98 6.023 -6.084 0.818 1.00 0.11 C ATOM 1121 CD2 PHE A 98 5.973 -8.207 1.889 1.00 0.13 C ATOM 1122 CE1 PHE A 98 4.671 -6.159 0.597 1.00 0.11 C ATOM 1123 CE2 PHE A 98 4.619 -8.288 1.669 1.00 0.13 C ATOM 1124 CZ PHE A 98 3.966 -7.261 1.021 1.00 0.12 C ATOM 0 H PHE A 98 9.223 -9.261 1.681 1.00 0.16 H new ATOM 0 HA PHE A 98 8.434 -7.392 -0.399 1.00 0.16 H new ATOM 0 HB2 PHE A 98 8.420 -7.537 2.603 1.00 0.15 H new ATOM 0 HB3 PHE A 98 8.423 -5.952 1.856 1.00 0.15 H new ATOM 0 HD1 PHE A 98 6.572 -5.217 0.480 1.00 0.11 H new ATOM 0 HD2 PHE A 98 6.482 -9.013 2.396 1.00 0.13 H new ATOM 0 HE1 PHE A 98 4.161 -5.353 0.090 1.00 0.11 H new ATOM 0 HE2 PHE A 98 4.067 -9.154 2.003 1.00 0.13 H new ATOM 0 HZ PHE A 98 2.902 -7.322 0.847 1.00 0.12 H new ATOM 1134 N CYS A 99 11.360 -7.552 0.159 1.00 0.26 N ATOM 1135 CA CYS A 99 12.685 -6.982 0.020 1.00 0.31 C ATOM 1136 C CYS A 99 12.796 -6.249 -1.300 1.00 0.23 C ATOM 1137 O CYS A 99 13.324 -6.782 -2.277 1.00 0.27 O ATOM 1138 CB CYS A 99 13.731 -8.087 0.058 1.00 0.45 C ATOM 1139 SG CYS A 99 15.430 -7.507 0.295 1.00 1.20 S ATOM 0 H CYS A 99 11.320 -8.561 0.017 1.00 0.26 H new ATOM 0 HA CYS A 99 12.853 -6.287 0.842 1.00 0.31 H new ATOM 0 HB2 CYS A 99 13.481 -8.778 0.863 1.00 0.45 H new ATOM 0 HB3 CYS A 99 13.680 -8.650 -0.874 1.00 0.45 H new ATOM 0 HG CYS A 99 16.238 -8.526 0.314 1.00 1.20 H new ATOM 1145 N MET A 100 12.291 -5.038 -1.338 1.00 0.19 N ATOM 1146 CA MET A 100 12.392 -4.233 -2.525 1.00 0.16 C ATOM 1147 C MET A 100 13.173 -2.977 -2.257 1.00 0.17 C ATOM 1148 O MET A 100 12.956 -2.292 -1.259 1.00 0.20 O ATOM 1149 CB MET A 100 11.018 -3.839 -3.075 1.00 0.22 C ATOM 1150 CG MET A 100 10.335 -4.917 -3.890 1.00 0.22 C ATOM 1151 SD MET A 100 9.453 -6.110 -2.870 1.00 0.13 S ATOM 1152 CE MET A 100 8.236 -5.058 -2.080 1.00 0.18 C ATOM 0 H MET A 100 11.807 -4.592 -0.559 1.00 0.19 H new ATOM 0 HA MET A 100 12.906 -4.845 -3.266 1.00 0.16 H new ATOM 0 HB2 MET A 100 10.371 -3.567 -2.241 1.00 0.22 H new ATOM 0 HB3 MET A 100 11.130 -2.949 -3.694 1.00 0.22 H new ATOM 0 HG2 MET A 100 9.635 -4.452 -4.585 1.00 0.22 H new ATOM 0 HG3 MET A 100 11.080 -5.439 -4.490 1.00 0.22 H new ATOM 0 HE1 MET A 100 8.455 -4.985 -1.015 1.00 0.18 H new ATOM 0 HE2 MET A 100 8.270 -4.064 -2.526 1.00 0.18 H new ATOM 0 HE3 MET A 100 7.242 -5.484 -2.218 1.00 0.18 H new ATOM 1162 N SER A 101 14.097 -2.701 -3.139 1.00 0.16 N ATOM 1163 CA SER A 101 14.583 -1.362 -3.295 1.00 0.18 C ATOM 1164 C SER A 101 13.468 -0.632 -4.018 1.00 0.14 C ATOM 1165 O SER A 101 12.733 -1.267 -4.756 1.00 0.15 O ATOM 1166 CB SER A 101 15.883 -1.342 -4.106 1.00 0.24 C ATOM 1167 OG SER A 101 16.397 -0.026 -4.238 1.00 1.26 O ATOM 0 H SER A 101 14.526 -3.388 -3.759 1.00 0.16 H new ATOM 0 HA SER A 101 14.824 -0.894 -2.340 1.00 0.18 H new ATOM 0 HB2 SER A 101 16.625 -1.976 -3.620 1.00 0.24 H new ATOM 0 HB3 SER A 101 15.702 -1.763 -5.095 1.00 0.24 H new ATOM 0 HG SER A 101 15.869 0.588 -3.687 1.00 1.26 H new ATOM 1173 N GLY A 102 13.283 0.641 -3.779 1.00 0.13 N ATOM 1174 CA GLY A 102 12.138 1.329 -4.330 1.00 0.14 C ATOM 1175 C GLY A 102 11.963 1.140 -5.826 1.00 0.14 C ATOM 1176 O GLY A 102 10.835 1.003 -6.307 1.00 0.16 O ATOM 0 H GLY A 102 13.903 1.220 -3.212 1.00 0.13 H new ATOM 0 HA2 GLY A 102 11.239 0.980 -3.823 1.00 0.14 H new ATOM 0 HA3 GLY A 102 12.230 2.394 -4.117 1.00 0.14 H new ATOM 1180 N ALA A 103 13.070 1.127 -6.565 1.00 0.17 N ATOM 1181 CA ALA A 103 13.022 0.863 -7.997 1.00 0.21 C ATOM 1182 C ALA A 103 12.425 -0.514 -8.251 1.00 0.21 C ATOM 1183 O ALA A 103 11.627 -0.705 -9.165 1.00 0.25 O ATOM 1184 CB ALA A 103 14.415 0.958 -8.599 1.00 0.26 C ATOM 0 H ALA A 103 14.006 1.296 -6.196 1.00 0.17 H new ATOM 0 HA ALA A 103 12.390 1.613 -8.474 1.00 0.21 H new ATOM 0 HB1 ALA A 103 14.363 0.758 -9.669 1.00 0.26 H new ATOM 0 HB2 ALA A 103 14.815 1.959 -8.435 1.00 0.26 H new ATOM 0 HB3 ALA A 103 15.067 0.225 -8.124 1.00 0.26 H new ATOM 1190 N ALA A 104 12.802 -1.457 -7.398 1.00 0.19 N ATOM 1191 CA ALA A 104 12.282 -2.810 -7.454 1.00 0.20 C ATOM 1192 C ALA A 104 10.825 -2.830 -7.012 1.00 0.16 C ATOM 1193 O ALA A 104 9.994 -3.501 -7.630 1.00 0.17 O ATOM 1194 CB ALA A 104 13.111 -3.734 -6.577 1.00 0.22 C ATOM 0 H ALA A 104 13.477 -1.302 -6.649 1.00 0.19 H new ATOM 0 HA ALA A 104 12.342 -3.164 -8.483 1.00 0.20 H new ATOM 0 HB1 ALA A 104 12.707 -4.745 -6.630 1.00 0.22 H new ATOM 0 HB2 ALA A 104 14.144 -3.737 -6.925 1.00 0.22 H new ATOM 0 HB3 ALA A 104 13.077 -3.384 -5.545 1.00 0.22 H new ATOM 1200 N LEU A 105 10.524 -2.106 -5.925 1.00 0.12 N ATOM 1201 CA LEU A 105 9.161 -1.940 -5.443 1.00 0.09 C ATOM 1202 C LEU A 105 8.211 -1.575 -6.560 1.00 0.12 C ATOM 1203 O LEU A 105 7.181 -2.190 -6.755 1.00 0.13 O ATOM 1204 CB LEU A 105 9.106 -0.823 -4.393 1.00 0.09 C ATOM 1205 CG LEU A 105 7.703 -0.570 -3.871 1.00 0.11 C ATOM 1206 CD1 LEU A 105 7.205 -1.772 -3.098 1.00 0.11 C ATOM 1207 CD2 LEU A 105 7.651 0.671 -3.017 1.00 0.14 C ATOM 0 H LEU A 105 11.223 -1.623 -5.361 1.00 0.12 H new ATOM 0 HA LEU A 105 8.858 -2.894 -5.013 1.00 0.09 H new ATOM 0 HB2 LEU A 105 9.757 -1.084 -3.558 1.00 0.09 H new ATOM 0 HB3 LEU A 105 9.498 0.097 -4.828 1.00 0.09 H new ATOM 0 HG LEU A 105 7.048 -0.409 -4.728 1.00 0.11 H new ATOM 0 HD11 LEU A 105 6.198 -1.576 -2.730 1.00 0.11 H new ATOM 0 HD12 LEU A 105 7.189 -2.644 -3.752 1.00 0.11 H new ATOM 0 HD13 LEU A 105 7.869 -1.963 -2.255 1.00 0.11 H new ATOM 0 HD21 LEU A 105 6.633 0.824 -2.659 1.00 0.14 H new ATOM 0 HD22 LEU A 105 8.321 0.555 -2.165 1.00 0.14 H new ATOM 0 HD23 LEU A 105 7.961 1.533 -3.608 1.00 0.14 H new ATOM 1219 N CYS A 106 8.550 -0.523 -7.235 1.00 0.21 N ATOM 1220 CA CYS A 106 7.781 -0.044 -8.353 1.00 0.31 C ATOM 1221 C CYS A 106 7.725 -1.068 -9.491 1.00 0.34 C ATOM 1222 O CYS A 106 6.648 -1.365 -10.010 1.00 0.40 O ATOM 1223 CB CYS A 106 8.407 1.257 -8.829 1.00 0.39 C ATOM 1224 SG CYS A 106 7.431 2.175 -10.042 1.00 0.74 S ATOM 0 H CYS A 106 9.376 0.038 -7.028 1.00 0.21 H new ATOM 0 HA CYS A 106 6.751 0.121 -8.037 1.00 0.31 H new ATOM 0 HB2 CYS A 106 8.580 1.897 -7.964 1.00 0.39 H new ATOM 0 HB3 CYS A 106 9.383 1.036 -9.262 1.00 0.39 H new ATOM 0 HG CYS A 106 8.061 3.263 -10.372 1.00 0.74 H new ATOM 1230 N ALA A 107 8.882 -1.608 -9.863 1.00 0.33 N ATOM 1231 CA ALA A 107 8.996 -2.484 -11.029 1.00 0.41 C ATOM 1232 C ALA A 107 8.138 -3.749 -10.948 1.00 0.38 C ATOM 1233 O ALA A 107 7.727 -4.267 -11.987 1.00 0.46 O ATOM 1234 CB ALA A 107 10.451 -2.867 -11.247 1.00 0.47 C ATOM 0 H ALA A 107 9.762 -1.454 -9.370 1.00 0.33 H new ATOM 0 HA ALA A 107 8.615 -1.911 -11.874 1.00 0.41 H new ATOM 0 HB1 ALA A 107 10.529 -3.519 -12.117 1.00 0.47 H new ATOM 0 HB2 ALA A 107 11.043 -1.967 -11.414 1.00 0.47 H new ATOM 0 HB3 ALA A 107 10.826 -3.389 -10.367 1.00 0.47 H new ATOM 1240 N LEU A 108 7.874 -4.259 -9.742 1.00 0.29 N ATOM 1241 CA LEU A 108 7.143 -5.526 -9.609 1.00 0.26 C ATOM 1242 C LEU A 108 5.759 -5.482 -10.271 1.00 0.26 C ATOM 1243 O LEU A 108 5.293 -6.484 -10.816 1.00 0.28 O ATOM 1244 CB LEU A 108 7.041 -5.988 -8.133 1.00 0.21 C ATOM 1245 CG LEU A 108 6.719 -4.924 -7.075 1.00 0.18 C ATOM 1246 CD1 LEU A 108 5.320 -4.332 -7.250 1.00 0.21 C ATOM 1247 CD2 LEU A 108 6.874 -5.522 -5.688 1.00 0.19 C ATOM 0 H LEU A 108 8.148 -3.827 -8.860 1.00 0.29 H new ATOM 0 HA LEU A 108 7.731 -6.269 -10.148 1.00 0.26 H new ATOM 0 HB2 LEU A 108 6.275 -6.761 -8.075 1.00 0.21 H new ATOM 0 HB3 LEU A 108 7.987 -6.456 -7.861 1.00 0.21 H new ATOM 0 HG LEU A 108 7.425 -4.104 -7.203 1.00 0.18 H new ATOM 0 HD11 LEU A 108 5.142 -3.585 -6.477 1.00 0.21 H new ATOM 0 HD12 LEU A 108 5.243 -3.864 -8.231 1.00 0.21 H new ATOM 0 HD13 LEU A 108 4.576 -5.125 -7.167 1.00 0.21 H new ATOM 0 HD21 LEU A 108 6.645 -4.765 -4.938 1.00 0.19 H new ATOM 0 HD22 LEU A 108 6.190 -6.363 -5.576 1.00 0.19 H new ATOM 0 HD23 LEU A 108 7.899 -5.868 -5.553 1.00 0.19 H new ATOM 1259 N GLY A 109 5.115 -4.323 -10.241 1.00 0.27 N ATOM 1260 CA GLY A 109 3.785 -4.204 -10.803 1.00 0.32 C ATOM 1261 C GLY A 109 2.742 -4.908 -9.951 1.00 0.27 C ATOM 1262 O GLY A 109 3.088 -5.642 -9.022 1.00 0.23 O ATOM 0 H GLY A 109 5.490 -3.464 -9.838 1.00 0.27 H new ATOM 0 HA2 GLY A 109 3.524 -3.150 -10.898 1.00 0.32 H new ATOM 0 HA3 GLY A 109 3.777 -4.626 -11.808 1.00 0.32 H new ATOM 1266 N LYS A 110 1.469 -4.667 -10.251 1.00 0.33 N ATOM 1267 CA LYS A 110 0.369 -5.295 -9.524 1.00 0.36 C ATOM 1268 C LYS A 110 0.587 -6.803 -9.351 1.00 0.26 C ATOM 1269 O LYS A 110 0.572 -7.299 -8.227 1.00 0.30 O ATOM 1270 CB LYS A 110 -0.980 -4.993 -10.231 1.00 0.56 C ATOM 1271 CG LYS A 110 -1.807 -6.221 -10.617 1.00 0.63 C ATOM 1272 CD LYS A 110 -2.582 -6.797 -9.448 1.00 0.42 C ATOM 1273 CE LYS A 110 -2.720 -8.320 -9.554 1.00 0.39 C ATOM 1274 NZ LYS A 110 -3.518 -8.739 -10.737 1.00 0.67 N ATOM 0 H LYS A 110 1.172 -4.038 -10.997 1.00 0.33 H new ATOM 0 HA LYS A 110 0.337 -4.867 -8.522 1.00 0.36 H new ATOM 0 HB2 LYS A 110 -1.581 -4.362 -9.576 1.00 0.56 H new ATOM 0 HB3 LYS A 110 -0.777 -4.414 -11.132 1.00 0.56 H new ATOM 0 HG2 LYS A 110 -2.503 -5.950 -11.411 1.00 0.63 H new ATOM 0 HG3 LYS A 110 -1.145 -6.987 -11.021 1.00 0.63 H new ATOM 0 HD2 LYS A 110 -2.078 -6.541 -8.516 1.00 0.42 H new ATOM 0 HD3 LYS A 110 -3.573 -6.344 -9.409 1.00 0.42 H new ATOM 0 HE2 LYS A 110 -1.728 -8.768 -9.612 1.00 0.39 H new ATOM 0 HE3 LYS A 110 -3.191 -8.703 -8.648 1.00 0.39 H new ATOM 0 HZ1 LYS A 110 -3.582 -9.777 -10.763 1.00 0.67 H new ATOM 0 HZ2 LYS A 110 -4.474 -8.335 -10.672 1.00 0.67 H new ATOM 0 HZ3 LYS A 110 -3.057 -8.399 -11.605 1.00 0.67 H new ATOM 1288 N GLU A 111 0.799 -7.521 -10.454 1.00 0.25 N ATOM 1289 CA GLU A 111 0.868 -8.980 -10.424 1.00 0.31 C ATOM 1290 C GLU A 111 1.844 -9.482 -9.371 1.00 0.27 C ATOM 1291 O GLU A 111 1.455 -10.196 -8.447 1.00 0.39 O ATOM 1292 CB GLU A 111 1.260 -9.536 -11.795 1.00 0.48 C ATOM 1293 CG GLU A 111 0.367 -9.068 -12.930 1.00 1.39 C ATOM 1294 CD GLU A 111 0.904 -7.837 -13.628 1.00 1.95 C ATOM 1295 OE1 GLU A 111 0.948 -6.767 -12.991 1.00 2.54 O ATOM 1296 OE2 GLU A 111 1.282 -7.930 -14.816 1.00 2.46 O ATOM 0 H GLU A 111 0.926 -7.114 -11.381 1.00 0.25 H new ATOM 0 HA GLU A 111 -0.128 -9.337 -10.162 1.00 0.31 H new ATOM 0 HB2 GLU A 111 2.288 -9.247 -12.012 1.00 0.48 H new ATOM 0 HB3 GLU A 111 1.237 -10.625 -11.754 1.00 0.48 H new ATOM 0 HG2 GLU A 111 0.258 -9.873 -13.656 1.00 1.39 H new ATOM 0 HG3 GLU A 111 -0.628 -8.854 -12.539 1.00 1.39 H new ATOM 1303 N CYS A 112 3.096 -9.075 -9.497 1.00 0.21 N ATOM 1304 CA CYS A 112 4.137 -9.551 -8.611 1.00 0.18 C ATOM 1305 C CYS A 112 3.834 -9.171 -7.175 1.00 0.15 C ATOM 1306 O CYS A 112 3.884 -10.024 -6.298 1.00 0.17 O ATOM 1307 CB CYS A 112 5.502 -9.008 -9.023 1.00 0.21 C ATOM 1308 SG CYS A 112 6.857 -9.535 -7.946 1.00 1.36 S ATOM 0 H CYS A 112 3.413 -8.415 -10.207 1.00 0.21 H new ATOM 0 HA CYS A 112 4.165 -10.638 -8.687 1.00 0.18 H new ATOM 0 HB2 CYS A 112 5.716 -9.328 -10.043 1.00 0.21 H new ATOM 0 HB3 CYS A 112 5.461 -7.919 -9.032 1.00 0.21 H new ATOM 0 HG CYS A 112 7.974 -9.028 -8.375 1.00 1.36 H new ATOM 1314 N PHE A 113 3.512 -7.900 -6.936 1.00 0.13 N ATOM 1315 CA PHE A 113 3.234 -7.423 -5.587 1.00 0.12 C ATOM 1316 C PHE A 113 2.134 -8.242 -4.899 1.00 0.13 C ATOM 1317 O PHE A 113 2.238 -8.568 -3.716 1.00 0.14 O ATOM 1318 CB PHE A 113 2.842 -5.938 -5.600 1.00 0.12 C ATOM 1319 CG PHE A 113 3.140 -5.255 -4.295 1.00 0.10 C ATOM 1320 CD1 PHE A 113 2.412 -5.583 -3.170 1.00 0.11 C ATOM 1321 CD2 PHE A 113 4.173 -4.326 -4.173 1.00 0.11 C ATOM 1322 CE1 PHE A 113 2.692 -5.010 -1.955 1.00 0.12 C ATOM 1323 CE2 PHE A 113 4.459 -3.758 -2.953 1.00 0.13 C ATOM 1324 CZ PHE A 113 3.719 -4.099 -1.843 1.00 0.10 C ATOM 0 H PHE A 113 3.438 -7.185 -7.660 1.00 0.13 H new ATOM 0 HA PHE A 113 4.154 -7.548 -5.015 1.00 0.12 H new ATOM 0 HB2 PHE A 113 3.377 -5.431 -6.403 1.00 0.12 H new ATOM 0 HB3 PHE A 113 1.778 -5.848 -5.819 1.00 0.12 H new ATOM 0 HD1 PHE A 113 1.610 -6.302 -3.247 1.00 0.11 H new ATOM 0 HD2 PHE A 113 4.752 -4.051 -5.042 1.00 0.11 H new ATOM 0 HE1 PHE A 113 2.107 -5.273 -1.086 1.00 0.12 H new ATOM 0 HE2 PHE A 113 5.265 -3.044 -2.866 1.00 0.13 H new ATOM 0 HZ PHE A 113 3.944 -3.653 -0.886 1.00 0.10 H new ATOM 1334 N LEU A 114 1.076 -8.567 -5.615 1.00 0.14 N ATOM 1335 CA LEU A 114 -0.038 -9.269 -4.983 1.00 0.17 C ATOM 1336 C LEU A 114 0.286 -10.741 -4.809 1.00 0.22 C ATOM 1337 O LEU A 114 -0.342 -11.434 -4.014 1.00 0.27 O ATOM 1338 CB LEU A 114 -1.350 -9.114 -5.742 1.00 0.19 C ATOM 1339 CG LEU A 114 -1.636 -7.734 -6.337 1.00 0.24 C ATOM 1340 CD1 LEU A 114 -3.127 -7.490 -6.385 1.00 0.54 C ATOM 1341 CD2 LEU A 114 -0.957 -6.612 -5.578 1.00 0.50 C ATOM 0 H LEU A 114 0.958 -8.366 -6.608 1.00 0.14 H new ATOM 0 HA LEU A 114 -0.176 -8.805 -4.006 1.00 0.17 H new ATOM 0 HB2 LEU A 114 -1.364 -9.844 -6.551 1.00 0.19 H new ATOM 0 HB3 LEU A 114 -2.167 -9.370 -5.067 1.00 0.19 H new ATOM 0 HG LEU A 114 -1.223 -7.734 -7.346 1.00 0.24 H new ATOM 0 HD11 LEU A 114 -3.321 -6.505 -6.810 1.00 0.54 H new ATOM 0 HD12 LEU A 114 -3.601 -8.252 -7.004 1.00 0.54 H new ATOM 0 HD13 LEU A 114 -3.536 -7.537 -5.376 1.00 0.54 H new ATOM 0 HD21 LEU A 114 -1.197 -5.658 -6.047 1.00 0.50 H new ATOM 0 HD22 LEU A 114 -1.307 -6.607 -4.546 1.00 0.50 H new ATOM 0 HD23 LEU A 114 0.122 -6.763 -5.594 1.00 0.50 H new ATOM 1353 N GLU A 115 1.243 -11.224 -5.585 1.00 0.22 N ATOM 1354 CA GLU A 115 1.821 -12.535 -5.340 1.00 0.28 C ATOM 1355 C GLU A 115 2.748 -12.444 -4.147 1.00 0.27 C ATOM 1356 O GLU A 115 3.025 -13.421 -3.448 1.00 0.37 O ATOM 1357 CB GLU A 115 2.663 -12.994 -6.517 1.00 0.37 C ATOM 1358 CG GLU A 115 1.905 -13.206 -7.806 1.00 0.48 C ATOM 1359 CD GLU A 115 2.826 -13.682 -8.899 1.00 1.33 C ATOM 1360 OE1 GLU A 115 3.011 -14.905 -9.037 1.00 1.81 O ATOM 1361 OE2 GLU A 115 3.345 -12.832 -9.654 1.00 2.21 O ATOM 0 H GLU A 115 1.635 -10.730 -6.387 1.00 0.22 H new ATOM 0 HA GLU A 115 1.003 -13.236 -5.175 1.00 0.28 H new ATOM 0 HB2 GLU A 115 3.447 -12.257 -6.692 1.00 0.37 H new ATOM 0 HB3 GLU A 115 3.158 -13.927 -6.247 1.00 0.37 H new ATOM 0 HG2 GLU A 115 1.111 -13.937 -7.650 1.00 0.48 H new ATOM 0 HG3 GLU A 115 1.426 -12.275 -8.108 1.00 0.48 H new ATOM 1368 N LEU A 116 3.217 -11.234 -3.946 1.00 0.20 N ATOM 1369 CA LEU A 116 4.297 -10.932 -3.041 1.00 0.19 C ATOM 1370 C LEU A 116 3.785 -10.798 -1.604 1.00 0.22 C ATOM 1371 O LEU A 116 4.541 -10.947 -0.642 1.00 0.26 O ATOM 1372 CB LEU A 116 4.973 -9.670 -3.593 1.00 0.15 C ATOM 1373 CG LEU A 116 5.768 -8.818 -2.633 1.00 0.13 C ATOM 1374 CD1 LEU A 116 7.039 -8.326 -3.298 1.00 0.20 C ATOM 1375 CD2 LEU A 116 4.933 -7.643 -2.188 1.00 0.16 C ATOM 0 H LEU A 116 2.846 -10.411 -4.422 1.00 0.20 H new ATOM 0 HA LEU A 116 5.033 -11.734 -2.984 1.00 0.19 H new ATOM 0 HB2 LEU A 116 5.639 -9.973 -4.401 1.00 0.15 H new ATOM 0 HB3 LEU A 116 4.199 -9.042 -4.036 1.00 0.15 H new ATOM 0 HG LEU A 116 6.038 -9.419 -1.764 1.00 0.13 H new ATOM 0 HD11 LEU A 116 7.603 -7.713 -2.595 1.00 0.20 H new ATOM 0 HD12 LEU A 116 7.644 -9.180 -3.602 1.00 0.20 H new ATOM 0 HD13 LEU A 116 6.784 -7.731 -4.175 1.00 0.20 H new ATOM 0 HD21 LEU A 116 5.509 -7.029 -1.495 1.00 0.16 H new ATOM 0 HD22 LEU A 116 4.654 -7.046 -3.056 1.00 0.16 H new ATOM 0 HD23 LEU A 116 4.033 -8.004 -1.691 1.00 0.16 H new ATOM 1387 N ALA A 117 2.493 -10.547 -1.475 1.00 0.21 N ATOM 1388 CA ALA A 117 1.801 -10.619 -0.191 1.00 0.22 C ATOM 1389 C ALA A 117 0.518 -11.423 -0.374 1.00 0.23 C ATOM 1390 O ALA A 117 0.286 -11.943 -1.460 1.00 0.26 O ATOM 1391 CB ALA A 117 1.487 -9.223 0.332 1.00 0.22 C ATOM 0 H ALA A 117 1.890 -10.287 -2.256 1.00 0.21 H new ATOM 0 HA ALA A 117 2.442 -11.109 0.542 1.00 0.22 H new ATOM 0 HB1 ALA A 117 0.972 -9.301 1.289 1.00 0.22 H new ATOM 0 HB2 ALA A 117 2.415 -8.666 0.463 1.00 0.22 H new ATOM 0 HB3 ALA A 117 0.849 -8.702 -0.382 1.00 0.22 H new ATOM 1397 N PRO A 118 -0.314 -11.595 0.669 1.00 0.24 N ATOM 1398 CA PRO A 118 -1.690 -12.054 0.469 1.00 0.25 C ATOM 1399 C PRO A 118 -2.398 -11.155 -0.540 1.00 0.22 C ATOM 1400 O PRO A 118 -2.168 -9.948 -0.566 1.00 0.18 O ATOM 1401 CB PRO A 118 -2.319 -11.906 1.852 1.00 0.28 C ATOM 1402 CG PRO A 118 -1.177 -12.026 2.802 1.00 0.32 C ATOM 1403 CD PRO A 118 0.015 -11.432 2.100 1.00 0.29 C ATOM 0 HA PRO A 118 -1.755 -13.071 0.081 1.00 0.25 H new ATOM 0 HB2 PRO A 118 -2.822 -10.945 1.957 1.00 0.28 H new ATOM 0 HB3 PRO A 118 -3.067 -12.679 2.032 1.00 0.28 H new ATOM 0 HG2 PRO A 118 -1.386 -11.496 3.731 1.00 0.32 H new ATOM 0 HG3 PRO A 118 -0.996 -13.069 3.063 1.00 0.32 H new ATOM 0 HD2 PRO A 118 0.155 -10.384 2.363 1.00 0.29 H new ATOM 0 HD3 PRO A 118 0.936 -11.952 2.362 1.00 0.29 H new ATOM 1411 N ASP A 119 -3.241 -11.752 -1.373 1.00 0.28 N ATOM 1412 CA ASP A 119 -3.858 -11.055 -2.511 1.00 0.32 C ATOM 1413 C ASP A 119 -4.587 -9.764 -2.125 1.00 0.31 C ATOM 1414 O ASP A 119 -4.781 -8.897 -2.976 1.00 0.41 O ATOM 1415 CB ASP A 119 -4.821 -11.978 -3.265 1.00 0.41 C ATOM 1416 CG ASP A 119 -6.081 -12.285 -2.484 1.00 0.81 C ATOM 1417 OD1 ASP A 119 -6.059 -13.210 -1.645 1.00 0.95 O ATOM 1418 OD2 ASP A 119 -7.097 -11.590 -2.702 1.00 1.26 O ATOM 0 H ASP A 119 -3.520 -12.729 -1.286 1.00 0.28 H new ATOM 0 HA ASP A 119 -3.028 -10.772 -3.158 1.00 0.32 H new ATOM 0 HB2 ASP A 119 -5.092 -11.514 -4.213 1.00 0.41 H new ATOM 0 HB3 ASP A 119 -4.310 -12.912 -3.501 1.00 0.41 H new ATOM 1423 N PHE A 120 -4.981 -9.614 -0.863 1.00 0.27 N ATOM 1424 CA PHE A 120 -5.657 -8.398 -0.436 1.00 0.32 C ATOM 1425 C PHE A 120 -4.616 -7.388 -0.002 1.00 0.22 C ATOM 1426 O PHE A 120 -4.708 -6.201 -0.285 1.00 0.22 O ATOM 1427 CB PHE A 120 -6.637 -8.682 0.708 1.00 0.46 C ATOM 1428 CG PHE A 120 -7.435 -7.480 1.148 1.00 0.90 C ATOM 1429 CD1 PHE A 120 -7.813 -6.499 0.239 1.00 1.04 C ATOM 1430 CD2 PHE A 120 -7.808 -7.334 2.475 1.00 1.53 C ATOM 1431 CE1 PHE A 120 -8.540 -5.399 0.649 1.00 1.45 C ATOM 1432 CE2 PHE A 120 -8.537 -6.235 2.889 1.00 1.97 C ATOM 1433 CZ PHE A 120 -8.902 -5.266 1.975 1.00 1.86 C ATOM 0 H PHE A 120 -4.845 -10.310 -0.130 1.00 0.27 H new ATOM 0 HA PHE A 120 -6.235 -7.999 -1.270 1.00 0.32 H new ATOM 0 HB2 PHE A 120 -7.325 -9.467 0.396 1.00 0.46 H new ATOM 0 HB3 PHE A 120 -6.080 -9.067 1.562 1.00 0.46 H new ATOM 0 HD1 PHE A 120 -7.535 -6.598 -0.800 1.00 1.04 H new ATOM 0 HD2 PHE A 120 -7.526 -8.088 3.194 1.00 1.53 H new ATOM 0 HE1 PHE A 120 -8.825 -4.643 -0.067 1.00 1.45 H new ATOM 0 HE2 PHE A 120 -8.821 -6.134 3.926 1.00 1.97 H new ATOM 0 HZ PHE A 120 -9.470 -4.405 2.297 1.00 1.86 H new ATOM 1443 N VAL A 121 -3.599 -7.909 0.647 1.00 0.19 N ATOM 1444 CA VAL A 121 -2.539 -7.118 1.218 1.00 0.17 C ATOM 1445 C VAL A 121 -1.624 -6.588 0.144 1.00 0.15 C ATOM 1446 O VAL A 121 -1.182 -5.442 0.207 1.00 0.14 O ATOM 1447 CB VAL A 121 -1.750 -7.977 2.197 1.00 0.18 C ATOM 1448 CG1 VAL A 121 -0.579 -7.207 2.779 1.00 0.19 C ATOM 1449 CG2 VAL A 121 -2.705 -8.469 3.262 1.00 0.22 C ATOM 0 H VAL A 121 -3.486 -8.912 0.794 1.00 0.19 H new ATOM 0 HA VAL A 121 -2.975 -6.266 1.740 1.00 0.17 H new ATOM 0 HB VAL A 121 -1.315 -8.836 1.685 1.00 0.18 H new ATOM 0 HG11 VAL A 121 -0.034 -7.845 3.475 1.00 0.19 H new ATOM 0 HG12 VAL A 121 0.087 -6.895 1.975 1.00 0.19 H new ATOM 0 HG13 VAL A 121 -0.948 -6.327 3.307 1.00 0.19 H new ATOM 0 HG21 VAL A 121 -2.164 -9.088 3.978 1.00 0.22 H new ATOM 0 HG22 VAL A 121 -3.144 -7.616 3.779 1.00 0.22 H new ATOM 0 HG23 VAL A 121 -3.496 -9.058 2.798 1.00 0.22 H new ATOM 1459 N GLY A 122 -1.333 -7.433 -0.836 1.00 0.17 N ATOM 1460 CA GLY A 122 -0.588 -6.996 -1.981 1.00 0.19 C ATOM 1461 C GLY A 122 -1.245 -5.807 -2.628 1.00 0.16 C ATOM 1462 O GLY A 122 -0.583 -4.830 -2.909 1.00 0.14 O ATOM 0 H GLY A 122 -1.605 -8.416 -0.850 1.00 0.17 H new ATOM 0 HA2 GLY A 122 0.428 -6.737 -1.682 1.00 0.19 H new ATOM 0 HA3 GLY A 122 -0.510 -7.810 -2.702 1.00 0.19 H new ATOM 1466 N ASP A 123 -2.559 -5.880 -2.839 1.00 0.18 N ATOM 1467 CA ASP A 123 -3.287 -4.808 -3.516 1.00 0.19 C ATOM 1468 C ASP A 123 -3.467 -3.629 -2.575 1.00 0.13 C ATOM 1469 O ASP A 123 -3.464 -2.483 -3.003 1.00 0.13 O ATOM 1470 CB ASP A 123 -4.641 -5.302 -4.042 1.00 0.30 C ATOM 1471 CG ASP A 123 -5.431 -4.223 -4.767 1.00 0.57 C ATOM 1472 OD1 ASP A 123 -5.148 -3.977 -5.959 1.00 0.68 O ATOM 1473 OD2 ASP A 123 -6.356 -3.638 -4.163 1.00 1.07 O ATOM 0 H ASP A 123 -3.139 -6.668 -2.552 1.00 0.18 H new ATOM 0 HA ASP A 123 -2.702 -4.483 -4.376 1.00 0.19 H new ATOM 0 HB2 ASP A 123 -4.477 -6.140 -4.719 1.00 0.30 H new ATOM 0 HB3 ASP A 123 -5.233 -5.678 -3.207 1.00 0.30 H new ATOM 1478 N ILE A 124 -3.651 -3.921 -1.292 1.00 0.12 N ATOM 1479 CA ILE A 124 -3.629 -2.892 -0.259 1.00 0.10 C ATOM 1480 C ILE A 124 -2.351 -2.073 -0.346 1.00 0.09 C ATOM 1481 O ILE A 124 -2.382 -0.863 -0.587 1.00 0.10 O ATOM 1482 CB ILE A 124 -3.787 -3.509 1.153 1.00 0.14 C ATOM 1483 CG1 ILE A 124 -5.267 -3.733 1.455 1.00 0.20 C ATOM 1484 CG2 ILE A 124 -3.160 -2.618 2.222 1.00 0.16 C ATOM 1485 CD1 ILE A 124 -5.507 -4.464 2.757 1.00 0.22 C ATOM 0 H ILE A 124 -3.817 -4.864 -0.942 1.00 0.12 H new ATOM 0 HA ILE A 124 -4.477 -2.229 -0.430 1.00 0.10 H new ATOM 0 HB ILE A 124 -3.264 -4.465 1.168 1.00 0.14 H new ATOM 0 HG12 ILE A 124 -5.774 -2.769 1.489 1.00 0.20 H new ATOM 0 HG13 ILE A 124 -5.715 -4.300 0.640 1.00 0.20 H new ATOM 0 HG21 ILE A 124 -3.288 -3.079 3.201 1.00 0.16 H new ATOM 0 HG22 ILE A 124 -2.097 -2.495 2.015 1.00 0.16 H new ATOM 0 HG23 ILE A 124 -3.647 -1.643 2.214 1.00 0.16 H new ATOM 0 HD11 ILE A 124 -6.579 -4.590 2.911 1.00 0.22 H new ATOM 0 HD12 ILE A 124 -5.028 -5.442 2.719 1.00 0.22 H new ATOM 0 HD13 ILE A 124 -5.088 -3.887 3.581 1.00 0.22 H new ATOM 1497 N LEU A 125 -1.231 -2.733 -0.163 1.00 0.08 N ATOM 1498 CA LEU A 125 0.044 -2.090 -0.310 1.00 0.08 C ATOM 1499 C LEU A 125 0.233 -1.552 -1.718 1.00 0.09 C ATOM 1500 O LEU A 125 0.719 -0.447 -1.889 1.00 0.10 O ATOM 1501 CB LEU A 125 1.145 -3.060 0.070 1.00 0.08 C ATOM 1502 CG LEU A 125 1.521 -3.007 1.537 1.00 0.08 C ATOM 1503 CD1 LEU A 125 2.460 -4.143 1.883 1.00 0.09 C ATOM 1504 CD2 LEU A 125 2.161 -1.666 1.849 1.00 0.09 C ATOM 0 H LEU A 125 -1.182 -3.720 0.089 1.00 0.08 H new ATOM 0 HA LEU A 125 0.088 -1.232 0.361 1.00 0.08 H new ATOM 0 HB2 LEU A 125 0.827 -4.073 -0.179 1.00 0.08 H new ATOM 0 HB3 LEU A 125 2.029 -2.847 -0.531 1.00 0.08 H new ATOM 0 HG LEU A 125 0.621 -3.118 2.142 1.00 0.08 H new ATOM 0 HD11 LEU A 125 2.720 -4.091 2.940 1.00 0.09 H new ATOM 0 HD12 LEU A 125 1.971 -5.095 1.677 1.00 0.09 H new ATOM 0 HD13 LEU A 125 3.366 -4.062 1.282 1.00 0.09 H new ATOM 0 HD21 LEU A 125 2.431 -1.629 2.904 1.00 0.09 H new ATOM 0 HD22 LEU A 125 3.056 -1.540 1.240 1.00 0.09 H new ATOM 0 HD23 LEU A 125 1.455 -0.866 1.627 1.00 0.09 H new ATOM 1516 N TRP A 126 -0.203 -2.305 -2.718 1.00 0.09 N ATOM 1517 CA TRP A 126 -0.076 -1.871 -4.102 1.00 0.10 C ATOM 1518 C TRP A 126 -0.848 -0.575 -4.332 1.00 0.11 C ATOM 1519 O TRP A 126 -0.387 0.299 -5.060 1.00 0.14 O ATOM 1520 CB TRP A 126 -0.550 -2.948 -5.086 1.00 0.11 C ATOM 1521 CG TRP A 126 -0.595 -2.441 -6.487 1.00 0.15 C ATOM 1522 CD1 TRP A 126 -1.709 -2.203 -7.230 1.00 0.22 C ATOM 1523 CD2 TRP A 126 0.523 -2.071 -7.295 1.00 0.16 C ATOM 1524 NE1 TRP A 126 -1.351 -1.678 -8.451 1.00 0.25 N ATOM 1525 CE2 TRP A 126 0.018 -1.595 -8.515 1.00 0.21 C ATOM 1526 CE3 TRP A 126 1.904 -2.094 -7.101 1.00 0.17 C ATOM 1527 CZ2 TRP A 126 0.849 -1.138 -9.534 1.00 0.25 C ATOM 1528 CZ3 TRP A 126 2.727 -1.642 -8.114 1.00 0.22 C ATOM 1529 CH2 TRP A 126 2.197 -1.169 -9.317 1.00 0.25 C ATOM 0 H TRP A 126 -0.646 -3.216 -2.598 1.00 0.09 H new ATOM 0 HA TRP A 126 0.983 -1.694 -4.288 1.00 0.10 H new ATOM 0 HB2 TRP A 126 0.118 -3.808 -5.032 1.00 0.11 H new ATOM 0 HB3 TRP A 126 -1.541 -3.296 -4.794 1.00 0.11 H new ATOM 0 HD1 TRP A 126 -2.722 -2.397 -6.910 1.00 0.22 H new ATOM 0 HE1 TRP A 126 -1.997 -1.396 -9.188 1.00 0.25 H new ATOM 0 HE3 TRP A 126 2.323 -2.459 -6.175 1.00 0.17 H new ATOM 0 HZ2 TRP A 126 0.442 -0.771 -10.465 1.00 0.25 H new ATOM 0 HZ3 TRP A 126 3.798 -1.654 -7.974 1.00 0.22 H new ATOM 0 HH2 TRP A 126 2.866 -0.821 -10.090 1.00 0.25 H new ATOM 1540 N GLU A 127 -2.019 -0.449 -3.714 1.00 0.11 N ATOM 1541 CA GLU A 127 -2.775 0.789 -3.783 1.00 0.12 C ATOM 1542 C GLU A 127 -1.938 1.929 -3.274 1.00 0.12 C ATOM 1543 O GLU A 127 -1.655 2.852 -4.009 1.00 0.14 O ATOM 1544 CB GLU A 127 -4.073 0.720 -2.988 1.00 0.14 C ATOM 1545 CG GLU A 127 -5.302 0.588 -3.862 1.00 0.21 C ATOM 1546 CD GLU A 127 -5.487 1.754 -4.810 1.00 0.75 C ATOM 1547 OE1 GLU A 127 -6.090 2.761 -4.404 1.00 1.43 O ATOM 1548 OE2 GLU A 127 -5.058 1.652 -5.978 1.00 0.84 O ATOM 0 H GLU A 127 -2.459 -1.186 -3.164 1.00 0.11 H new ATOM 0 HA GLU A 127 -3.035 0.950 -4.829 1.00 0.12 H new ATOM 0 HB2 GLU A 127 -4.028 -0.128 -2.305 1.00 0.14 H new ATOM 0 HB3 GLU A 127 -4.165 1.617 -2.376 1.00 0.14 H new ATOM 0 HG2 GLU A 127 -5.232 -0.334 -4.439 1.00 0.21 H new ATOM 0 HG3 GLU A 127 -6.184 0.501 -3.227 1.00 0.21 H new ATOM 1555 N HIS A 128 -1.509 1.863 -2.021 1.00 0.11 N ATOM 1556 CA HIS A 128 -0.694 2.943 -1.488 1.00 0.11 C ATOM 1557 C HIS A 128 0.579 3.087 -2.294 1.00 0.10 C ATOM 1558 O HIS A 128 1.075 4.190 -2.440 1.00 0.11 O ATOM 1559 CB HIS A 128 -0.367 2.756 -0.005 1.00 0.11 C ATOM 1560 CG HIS A 128 0.131 4.021 0.649 1.00 0.12 C ATOM 1561 ND1 HIS A 128 0.259 5.281 0.155 1.00 0.14 N flip ATOM 1562 CD2 HIS A 128 0.542 4.087 1.964 1.00 0.14 C flip ATOM 1563 CE1 HIS A 128 0.735 6.072 1.174 1.00 0.15 C flip ATOM 1564 NE2 HIS A 128 0.896 5.330 2.252 1.00 0.15 N flip ATOM 0 H HIS A 128 -1.704 1.099 -1.374 1.00 0.11 H new ATOM 0 HA HIS A 128 -1.281 3.857 -1.571 1.00 0.11 H new ATOM 0 HB2 HIS A 128 -1.258 2.409 0.518 1.00 0.11 H new ATOM 0 HB3 HIS A 128 0.388 1.977 0.100 1.00 0.11 H new ATOM 0 HD1 HIS A 128 0.042 5.583 -0.795 1.00 0.14 H new ATOM 0 HD2 HIS A 128 0.571 3.255 2.652 1.00 0.14 H new ATOM 0 HE1 HIS A 128 0.943 7.129 1.103 1.00 0.15 H new ATOM 1573 N LEU A 129 1.097 1.991 -2.825 1.00 0.10 N ATOM 1574 CA LEU A 129 2.229 2.058 -3.725 1.00 0.12 C ATOM 1575 C LEU A 129 1.875 2.959 -4.873 1.00 0.15 C ATOM 1576 O LEU A 129 2.597 3.907 -5.193 1.00 0.18 O ATOM 1577 CB LEU A 129 2.592 0.656 -4.234 1.00 0.11 C ATOM 1578 CG LEU A 129 3.758 0.585 -5.220 1.00 0.12 C ATOM 1579 CD1 LEU A 129 4.801 1.625 -4.872 1.00 0.15 C ATOM 1580 CD2 LEU A 129 4.387 -0.793 -5.184 1.00 0.13 C ATOM 0 H LEU A 129 0.750 1.048 -2.647 1.00 0.10 H new ATOM 0 HA LEU A 129 3.096 2.457 -3.199 1.00 0.12 H new ATOM 0 HB2 LEU A 129 2.829 0.029 -3.375 1.00 0.11 H new ATOM 0 HB3 LEU A 129 1.712 0.224 -4.710 1.00 0.11 H new ATOM 0 HG LEU A 129 3.377 0.781 -6.222 1.00 0.12 H new ATOM 0 HD11 LEU A 129 5.626 1.564 -5.581 1.00 0.15 H new ATOM 0 HD12 LEU A 129 4.354 2.618 -4.919 1.00 0.15 H new ATOM 0 HD13 LEU A 129 5.175 1.443 -3.864 1.00 0.15 H new ATOM 0 HD21 LEU A 129 5.217 -0.833 -5.890 1.00 0.13 H new ATOM 0 HD22 LEU A 129 4.756 -0.999 -4.179 1.00 0.13 H new ATOM 0 HD23 LEU A 129 3.642 -1.540 -5.457 1.00 0.13 H new ATOM 1592 N GLU A 130 0.733 2.682 -5.455 1.00 0.17 N ATOM 1593 CA GLU A 130 0.271 3.435 -6.577 1.00 0.23 C ATOM 1594 C GLU A 130 -0.041 4.866 -6.152 1.00 0.25 C ATOM 1595 O GLU A 130 0.235 5.813 -6.873 1.00 0.37 O ATOM 1596 CB GLU A 130 -0.960 2.765 -7.201 1.00 0.27 C ATOM 1597 CG GLU A 130 -1.271 3.255 -8.603 1.00 0.69 C ATOM 1598 CD GLU A 130 -2.546 2.665 -9.162 1.00 1.22 C ATOM 1599 OE1 GLU A 130 -2.550 1.473 -9.524 1.00 1.80 O ATOM 1600 OE2 GLU A 130 -3.552 3.399 -9.261 1.00 1.73 O ATOM 0 H GLU A 130 0.108 1.932 -5.161 1.00 0.17 H new ATOM 0 HA GLU A 130 1.056 3.464 -7.332 1.00 0.23 H new ATOM 0 HB2 GLU A 130 -0.802 1.687 -7.228 1.00 0.27 H new ATOM 0 HB3 GLU A 130 -1.825 2.945 -6.562 1.00 0.27 H new ATOM 0 HG2 GLU A 130 -1.353 4.342 -8.593 1.00 0.69 H new ATOM 0 HG3 GLU A 130 -0.440 3.004 -9.263 1.00 0.69 H new ATOM 1607 N ILE A 131 -0.600 5.001 -4.962 1.00 0.20 N ATOM 1608 CA ILE A 131 -0.911 6.297 -4.380 1.00 0.21 C ATOM 1609 C ILE A 131 0.361 7.142 -4.152 1.00 0.22 C ATOM 1610 O ILE A 131 0.384 8.325 -4.453 1.00 0.27 O ATOM 1611 CB ILE A 131 -1.703 6.131 -3.055 1.00 0.21 C ATOM 1612 CG1 ILE A 131 -3.214 5.985 -3.306 1.00 0.23 C ATOM 1613 CG2 ILE A 131 -1.474 7.313 -2.128 1.00 0.23 C ATOM 1614 CD1 ILE A 131 -3.619 4.911 -4.296 1.00 0.23 C ATOM 0 H ILE A 131 -0.853 4.211 -4.368 1.00 0.20 H new ATOM 0 HA ILE A 131 -1.537 6.832 -5.094 1.00 0.21 H new ATOM 0 HB ILE A 131 -1.332 5.220 -2.586 1.00 0.21 H new ATOM 0 HG12 ILE A 131 -3.703 5.778 -2.354 1.00 0.23 H new ATOM 0 HG13 ILE A 131 -3.598 6.942 -3.660 1.00 0.23 H new ATOM 0 HG21 ILE A 131 -2.041 7.169 -1.208 1.00 0.23 H new ATOM 0 HG22 ILE A 131 -0.413 7.390 -1.892 1.00 0.23 H new ATOM 0 HG23 ILE A 131 -1.804 8.229 -2.618 1.00 0.23 H new ATOM 0 HD11 ILE A 131 -4.704 4.898 -4.395 1.00 0.23 H new ATOM 0 HD12 ILE A 131 -3.169 5.122 -5.266 1.00 0.23 H new ATOM 0 HD13 ILE A 131 -3.275 3.940 -3.940 1.00 0.23 H new ATOM 1626 N LEU A 132 1.424 6.545 -3.626 1.00 0.18 N ATOM 1627 CA LEU A 132 2.662 7.300 -3.382 1.00 0.20 C ATOM 1628 C LEU A 132 3.147 7.940 -4.664 1.00 0.25 C ATOM 1629 O LEU A 132 3.546 9.103 -4.696 1.00 0.29 O ATOM 1630 CB LEU A 132 3.783 6.415 -2.867 1.00 0.21 C ATOM 1631 CG LEU A 132 3.441 5.542 -1.682 1.00 0.21 C ATOM 1632 CD1 LEU A 132 4.088 4.195 -1.891 1.00 0.23 C ATOM 1633 CD2 LEU A 132 3.914 6.159 -0.369 1.00 0.25 C ATOM 0 H LEU A 132 1.462 5.560 -3.362 1.00 0.18 H new ATOM 0 HA LEU A 132 2.420 8.051 -2.630 1.00 0.20 H new ATOM 0 HB2 LEU A 132 4.117 5.773 -3.682 1.00 0.21 H new ATOM 0 HB3 LEU A 132 4.626 7.050 -2.595 1.00 0.21 H new ATOM 0 HG LEU A 132 2.358 5.442 -1.612 1.00 0.21 H new ATOM 0 HD11 LEU A 132 3.856 3.545 -1.047 1.00 0.23 H new ATOM 0 HD12 LEU A 132 3.708 3.747 -2.809 1.00 0.23 H new ATOM 0 HD13 LEU A 132 5.168 4.318 -1.967 1.00 0.23 H new ATOM 0 HD21 LEU A 132 3.649 5.501 0.459 1.00 0.25 H new ATOM 0 HD22 LEU A 132 4.996 6.289 -0.397 1.00 0.25 H new ATOM 0 HD23 LEU A 132 3.435 7.128 -0.229 1.00 0.25 H new ATOM 1645 N GLN A 133 3.080 7.163 -5.726 1.00 0.28 N ATOM 1646 CA GLN A 133 3.573 7.608 -7.007 1.00 0.38 C ATOM 1647 C GLN A 133 2.514 8.445 -7.703 1.00 0.37 C ATOM 1648 O GLN A 133 2.841 9.275 -8.544 1.00 0.47 O ATOM 1649 CB GLN A 133 4.004 6.419 -7.874 1.00 0.58 C ATOM 1650 CG GLN A 133 2.866 5.527 -8.326 1.00 0.79 C ATOM 1651 CD GLN A 133 3.330 4.130 -8.675 1.00 0.65 C ATOM 1652 OE1 GLN A 133 3.688 3.840 -9.816 1.00 1.22 O ATOM 1653 NE2 GLN A 133 3.338 3.262 -7.678 1.00 0.31 N ATOM 0 H GLN A 133 2.689 6.221 -5.724 1.00 0.28 H new ATOM 0 HA GLN A 133 4.455 8.228 -6.849 1.00 0.38 H new ATOM 0 HB2 GLN A 133 4.524 6.797 -8.754 1.00 0.58 H new ATOM 0 HB3 GLN A 133 4.720 5.818 -7.314 1.00 0.58 H new ATOM 0 HG2 GLN A 133 2.117 5.471 -7.536 1.00 0.79 H new ATOM 0 HG3 GLN A 133 2.381 5.973 -9.194 1.00 0.79 H new ATOM 0 HE21 GLN A 133 3.032 3.550 -6.749 1.00 0.31 H new ATOM 0 HE22 GLN A 133 3.651 2.304 -7.838 1.00 0.31 H new