USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=22 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 -77:sc= 0.288 USER MOD Set 1.2: A 76 HIS : no HD1:sc= -1.77! X(o=-1.5!,f=-1.1) USER MOD Set 2.1: A 57 THR OG1 : rot 85:sc= 0.893 USER MOD Set 2.2: A 128 HIS : no HE2:sc= -4.11 X(o=-3.2,f=-3) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -149:sc= -8.95! (180deg=-12!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 170:sc= -0.442 (180deg=-0.708) USER MOD Single : A 52 THR OG1 : rot -40:sc= 0.249 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0542 USER MOD Single : A 58 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0967) USER MOD Single : A 60 GLN : amide:sc= -2.63! C(o=-2.6!,f=-5.6!) USER MOD Single : A 61 GLN : amide:sc= -1.18 K(o=-1.2,f=-6.1!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -9.55! C(o=-12!,f=-9.5!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -172:sc= -0.596 (180deg=-0.859) USER MOD Single : A 86 ASN :FLIP amide:sc= -1.1 F(o=-2.1,f=-1.1) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -130:sc= 0.124 (180deg=-0.174) USER MOD Single : A 96 GLN :FLIP amide:sc= -0.306 F(o=-1.1,f=-0.31) USER MOD Single : A 97 LYS NZ :NH3+ 147:sc= -0.234 (180deg=-1.11) USER MOD Single : A 99 CYS SG : rot 43:sc= 1.29 USER MOD Single : A 100 MET CE :methyl -111:sc= -1.11 (180deg=-2.46!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= -0.53 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= -0.0273 (180deg=-0.0273) USER MOD Single : A 112 CYS SG : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -1.15! X(o=-1.1!,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 223 N MET A 44 -13.205 -1.642 1.585 1.00 0.41 N ATOM 224 CA MET A 44 -12.631 -1.546 2.916 1.00 0.41 C ATOM 225 C MET A 44 -11.371 -0.691 2.878 1.00 0.31 C ATOM 226 O MET A 44 -11.220 0.232 3.665 1.00 0.28 O ATOM 227 CB MET A 44 -12.321 -2.936 3.477 1.00 0.50 C ATOM 228 CG MET A 44 -13.555 -3.813 3.617 1.00 0.82 C ATOM 229 SD MET A 44 -14.876 -3.024 4.563 1.00 1.59 S ATOM 230 CE MET A 44 -16.207 -4.200 4.321 1.00 1.62 C ATOM 0 HA MET A 44 -13.359 -1.073 3.575 1.00 0.41 H new ATOM 0 HB2 MET A 44 -11.602 -3.432 2.825 1.00 0.50 H new ATOM 0 HB3 MET A 44 -11.846 -2.830 4.452 1.00 0.50 H new ATOM 0 HG2 MET A 44 -13.928 -4.067 2.625 1.00 0.82 H new ATOM 0 HG3 MET A 44 -13.276 -4.748 4.102 1.00 0.82 H new ATOM 0 HE1 MET A 44 -17.098 -3.854 4.846 1.00 1.62 H new ATOM 0 HE2 MET A 44 -16.425 -4.289 3.257 1.00 1.62 H new ATOM 0 HE3 MET A 44 -15.909 -5.172 4.713 1.00 1.62 H new ATOM 240 N MET A 45 -10.468 -0.995 1.956 1.00 0.28 N ATOM 241 CA MET A 45 -9.275 -0.176 1.773 1.00 0.22 C ATOM 242 C MET A 45 -9.640 1.196 1.220 1.00 0.20 C ATOM 243 O MET A 45 -8.945 2.174 1.459 1.00 0.20 O ATOM 244 CB MET A 45 -8.275 -0.859 0.844 1.00 0.24 C ATOM 245 CG MET A 45 -8.747 -0.942 -0.595 1.00 0.32 C ATOM 246 SD MET A 45 -7.886 -2.194 -1.550 1.00 0.98 S ATOM 247 CE MET A 45 -6.217 -1.620 -1.366 1.00 0.22 C ATOM 0 H MET A 45 -10.536 -1.795 1.327 1.00 0.28 H new ATOM 0 HA MET A 45 -8.810 -0.051 2.751 1.00 0.22 H new ATOM 0 HB2 MET A 45 -7.330 -0.316 0.878 1.00 0.24 H new ATOM 0 HB3 MET A 45 -8.078 -1.866 1.212 1.00 0.24 H new ATOM 0 HG2 MET A 45 -9.816 -1.155 -0.608 1.00 0.32 H new ATOM 0 HG3 MET A 45 -8.610 0.028 -1.072 1.00 0.32 H new ATOM 0 HE1 MET A 45 -5.643 -1.880 -2.255 1.00 0.22 H new ATOM 0 HE2 MET A 45 -6.217 -0.538 -1.237 1.00 0.22 H new ATOM 0 HE3 MET A 45 -5.765 -2.090 -0.492 1.00 0.22 H new ATOM 257 N SER A 46 -10.716 1.260 0.461 1.00 0.24 N ATOM 258 CA SER A 46 -11.213 2.524 -0.047 1.00 0.30 C ATOM 259 C SER A 46 -11.478 3.486 1.110 1.00 0.27 C ATOM 260 O SER A 46 -11.029 4.636 1.092 1.00 0.30 O ATOM 261 CB SER A 46 -12.473 2.275 -0.869 1.00 0.39 C ATOM 262 OG SER A 46 -13.129 3.477 -1.218 1.00 0.53 O ATOM 0 H SER A 46 -11.265 0.447 0.181 1.00 0.24 H new ATOM 0 HA SER A 46 -10.466 2.985 -0.693 1.00 0.30 H new ATOM 0 HB2 SER A 46 -12.211 1.729 -1.776 1.00 0.39 H new ATOM 0 HB3 SER A 46 -13.156 1.642 -0.302 1.00 0.39 H new ATOM 0 HG SER A 46 -13.929 3.272 -1.745 1.00 0.53 H new ATOM 268 N GLN A 47 -12.197 3.014 2.119 1.00 0.25 N ATOM 269 CA GLN A 47 -12.418 3.809 3.317 1.00 0.27 C ATOM 270 C GLN A 47 -11.165 3.843 4.205 1.00 0.24 C ATOM 271 O GLN A 47 -10.687 4.918 4.557 1.00 0.29 O ATOM 272 CB GLN A 47 -13.647 3.308 4.096 1.00 0.30 C ATOM 273 CG GLN A 47 -13.613 1.826 4.423 1.00 0.33 C ATOM 274 CD GLN A 47 -14.851 1.344 5.143 1.00 0.43 C ATOM 275 OE1 GLN A 47 -14.906 1.340 6.373 1.00 1.10 O ATOM 276 NE2 GLN A 47 -15.845 0.919 4.382 1.00 1.11 N ATOM 0 H GLN A 47 -12.634 2.092 2.132 1.00 0.25 H new ATOM 0 HA GLN A 47 -12.622 4.833 3.003 1.00 0.27 H new ATOM 0 HB2 GLN A 47 -13.729 3.872 5.025 1.00 0.30 H new ATOM 0 HB3 GLN A 47 -14.544 3.520 3.514 1.00 0.30 H new ATOM 0 HG2 GLN A 47 -13.495 1.260 3.499 1.00 0.33 H new ATOM 0 HG3 GLN A 47 -12.738 1.617 5.039 1.00 0.33 H new ATOM 0 HE21 GLN A 47 -15.755 0.941 3.366 1.00 1.11 H new ATOM 0 HE22 GLN A 47 -16.702 0.569 4.811 1.00 1.11 H new ATOM 285 N ALA A 48 -10.622 2.673 4.551 1.00 0.21 N ATOM 286 CA ALA A 48 -9.514 2.599 5.503 1.00 0.22 C ATOM 287 C ALA A 48 -8.221 3.162 4.938 1.00 0.20 C ATOM 288 O ALA A 48 -7.655 4.086 5.512 1.00 0.22 O ATOM 289 CB ALA A 48 -9.280 1.167 5.956 1.00 0.24 C ATOM 0 H ALA A 48 -10.930 1.771 4.188 1.00 0.21 H new ATOM 0 HA ALA A 48 -9.805 3.212 6.356 1.00 0.22 H new ATOM 0 HB1 ALA A 48 -8.451 1.140 6.663 1.00 0.24 H new ATOM 0 HB2 ALA A 48 -10.181 0.786 6.438 1.00 0.24 H new ATOM 0 HB3 ALA A 48 -9.040 0.547 5.092 1.00 0.24 H new ATOM 295 N LEU A 49 -7.775 2.646 3.797 1.00 0.18 N ATOM 296 CA LEU A 49 -6.466 3.000 3.255 1.00 0.18 C ATOM 297 C LEU A 49 -6.441 4.420 2.759 1.00 0.19 C ATOM 298 O LEU A 49 -5.609 5.222 3.169 1.00 0.21 O ATOM 299 CB LEU A 49 -6.088 2.106 2.074 1.00 0.23 C ATOM 300 CG LEU A 49 -5.041 1.045 2.352 1.00 0.19 C ATOM 301 CD1 LEU A 49 -4.648 0.386 1.050 1.00 0.47 C ATOM 302 CD2 LEU A 49 -3.823 1.636 3.050 1.00 0.58 C ATOM 0 H LEU A 49 -8.300 1.981 3.229 1.00 0.18 H new ATOM 0 HA LEU A 49 -5.758 2.869 4.073 1.00 0.18 H new ATOM 0 HB2 LEU A 49 -6.991 1.612 1.714 1.00 0.23 H new ATOM 0 HB3 LEU A 49 -5.728 2.741 1.264 1.00 0.23 H new ATOM 0 HG LEU A 49 -5.464 0.298 3.024 1.00 0.19 H new ATOM 0 HD11 LEU A 49 -3.895 -0.378 1.242 1.00 0.47 H new ATOM 0 HD12 LEU A 49 -5.525 -0.075 0.596 1.00 0.47 H new ATOM 0 HD13 LEU A 49 -4.240 1.135 0.372 1.00 0.47 H new ATOM 0 HD21 LEU A 49 -3.092 0.849 3.235 1.00 0.58 H new ATOM 0 HD22 LEU A 49 -3.378 2.404 2.417 1.00 0.58 H new ATOM 0 HD23 LEU A 49 -4.127 2.079 3.999 1.00 0.58 H new ATOM 314 N LYS A 50 -7.350 4.716 1.853 1.00 0.19 N ATOM 315 CA LYS A 50 -7.306 5.965 1.131 1.00 0.21 C ATOM 316 C LYS A 50 -7.440 7.153 2.090 1.00 0.23 C ATOM 317 O LYS A 50 -6.891 8.229 1.846 1.00 0.27 O ATOM 318 CB LYS A 50 -8.374 5.975 0.038 1.00 0.22 C ATOM 319 CG LYS A 50 -8.432 4.667 -0.747 1.00 0.20 C ATOM 320 CD LYS A 50 -7.070 4.272 -1.310 1.00 0.21 C ATOM 321 CE LYS A 50 -6.821 4.820 -2.710 1.00 0.24 C ATOM 322 NZ LYS A 50 -7.024 6.292 -2.819 1.00 0.55 N ATOM 0 H LYS A 50 -8.128 4.106 1.601 1.00 0.19 H new ATOM 0 HA LYS A 50 -6.336 6.064 0.643 1.00 0.21 H new ATOM 0 HB2 LYS A 50 -9.348 6.165 0.490 1.00 0.22 H new ATOM 0 HB3 LYS A 50 -8.176 6.797 -0.650 1.00 0.22 H new ATOM 0 HG2 LYS A 50 -8.800 3.872 -0.098 1.00 0.20 H new ATOM 0 HG3 LYS A 50 -9.146 4.767 -1.564 1.00 0.20 H new ATOM 0 HD2 LYS A 50 -6.288 4.632 -0.641 1.00 0.21 H new ATOM 0 HD3 LYS A 50 -6.994 3.185 -1.333 1.00 0.21 H new ATOM 0 HE2 LYS A 50 -5.801 4.579 -3.009 1.00 0.24 H new ATOM 0 HE3 LYS A 50 -7.486 4.317 -3.412 1.00 0.24 H new ATOM 0 HZ1 LYS A 50 -6.678 6.623 -3.742 1.00 0.55 H new ATOM 0 HZ2 LYS A 50 -8.037 6.510 -2.730 1.00 0.55 H new ATOM 0 HZ3 LYS A 50 -6.499 6.772 -2.060 1.00 0.55 H new ATOM 336 N ALA A 51 -8.161 6.939 3.183 1.00 0.22 N ATOM 337 CA ALA A 51 -8.250 7.926 4.255 1.00 0.23 C ATOM 338 C ALA A 51 -7.010 7.905 5.160 1.00 0.23 C ATOM 339 O ALA A 51 -6.518 8.957 5.574 1.00 0.26 O ATOM 340 CB ALA A 51 -9.506 7.711 5.082 1.00 0.25 C ATOM 0 H ALA A 51 -8.696 6.087 3.352 1.00 0.22 H new ATOM 0 HA ALA A 51 -8.299 8.907 3.783 1.00 0.23 H new ATOM 0 HB1 ALA A 51 -9.552 8.458 5.875 1.00 0.25 H new ATOM 0 HB2 ALA A 51 -10.383 7.807 4.443 1.00 0.25 H new ATOM 0 HB3 ALA A 51 -9.485 6.714 5.523 1.00 0.25 H new ATOM 346 N THR A 52 -6.503 6.706 5.459 1.00 0.21 N ATOM 347 CA THR A 52 -5.449 6.536 6.466 1.00 0.22 C ATOM 348 C THR A 52 -4.089 7.024 5.980 1.00 0.21 C ATOM 349 O THR A 52 -3.150 7.107 6.769 1.00 0.23 O ATOM 350 CB THR A 52 -5.316 5.057 6.913 1.00 0.22 C ATOM 351 OG1 THR A 52 -4.552 4.972 8.124 1.00 0.27 O ATOM 352 CG2 THR A 52 -4.644 4.204 5.837 1.00 0.18 C ATOM 0 H THR A 52 -6.805 5.837 5.018 1.00 0.21 H new ATOM 0 HA THR A 52 -5.756 7.148 7.314 1.00 0.22 H new ATOM 0 HB THR A 52 -6.323 4.675 7.081 1.00 0.22 H new ATOM 0 HG1 THR A 52 -3.802 5.602 8.083 1.00 0.27 H new ATOM 0 HG21 THR A 52 -4.567 3.174 6.185 1.00 0.18 H new ATOM 0 HG22 THR A 52 -5.238 4.236 4.924 1.00 0.18 H new ATOM 0 HG23 THR A 52 -3.646 4.594 5.634 1.00 0.18 H new ATOM 360 N PHE A 53 -3.985 7.357 4.701 1.00 0.23 N ATOM 361 CA PHE A 53 -2.688 7.640 4.088 1.00 0.27 C ATOM 362 C PHE A 53 -1.925 8.759 4.787 1.00 0.32 C ATOM 363 O PHE A 53 -0.696 8.805 4.723 1.00 0.34 O ATOM 364 CB PHE A 53 -2.844 7.972 2.610 1.00 0.31 C ATOM 365 CG PHE A 53 -3.197 6.786 1.777 1.00 0.32 C ATOM 366 CD1 PHE A 53 -2.605 5.562 2.018 1.00 0.30 C ATOM 367 CD2 PHE A 53 -4.124 6.888 0.764 1.00 0.36 C ATOM 368 CE1 PHE A 53 -2.927 4.462 1.254 1.00 0.34 C ATOM 369 CE2 PHE A 53 -4.450 5.790 -0.001 1.00 0.39 C ATOM 370 CZ PHE A 53 -3.852 4.574 0.245 1.00 0.38 C ATOM 0 H PHE A 53 -4.779 7.439 4.066 1.00 0.23 H new ATOM 0 HA PHE A 53 -2.101 6.729 4.199 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -3.616 8.732 2.494 1.00 0.31 H new ATOM 0 HB3 PHE A 53 -1.914 8.404 2.241 1.00 0.31 H new ATOM 0 HD1 PHE A 53 -1.882 5.466 2.814 1.00 0.30 H new ATOM 0 HD2 PHE A 53 -4.600 7.837 0.568 1.00 0.36 H new ATOM 0 HE1 PHE A 53 -2.452 3.512 1.448 1.00 0.34 H new ATOM 0 HE2 PHE A 53 -5.176 5.883 -0.795 1.00 0.39 H new ATOM 0 HZ PHE A 53 -4.109 3.712 -0.353 1.00 0.38 H new ATOM 380 N SER A 54 -2.643 9.637 5.467 1.00 0.36 N ATOM 381 CA SER A 54 -2.023 10.727 6.200 1.00 0.44 C ATOM 382 C SER A 54 -1.084 10.191 7.284 1.00 0.39 C ATOM 383 O SER A 54 -0.189 10.893 7.745 1.00 0.46 O ATOM 384 CB SER A 54 -3.111 11.610 6.807 1.00 0.55 C ATOM 385 OG SER A 54 -4.188 10.822 7.283 1.00 1.37 O ATOM 0 H SER A 54 -3.661 9.615 5.526 1.00 0.36 H new ATOM 0 HA SER A 54 -1.422 11.324 5.514 1.00 0.44 H new ATOM 0 HB2 SER A 54 -2.695 12.198 7.625 1.00 0.55 H new ATOM 0 HB3 SER A 54 -3.473 12.316 6.059 1.00 0.55 H new ATOM 0 HG SER A 54 -4.874 11.405 7.670 1.00 1.37 H new ATOM 391 N GLY A 55 -1.306 8.945 7.693 1.00 0.31 N ATOM 392 CA GLY A 55 -0.434 8.301 8.651 1.00 0.28 C ATOM 393 C GLY A 55 1.011 8.215 8.187 1.00 0.22 C ATOM 394 O GLY A 55 1.891 8.848 8.771 1.00 0.25 O ATOM 0 H GLY A 55 -2.083 8.368 7.372 1.00 0.31 H new ATOM 0 HA2 GLY A 55 -0.474 8.848 9.593 1.00 0.28 H new ATOM 0 HA3 GLY A 55 -0.805 7.296 8.850 1.00 0.28 H new ATOM 398 N PHE A 56 1.259 7.450 7.129 1.00 0.15 N ATOM 399 CA PHE A 56 2.630 7.198 6.698 1.00 0.12 C ATOM 400 C PHE A 56 3.171 8.335 5.868 1.00 0.13 C ATOM 401 O PHE A 56 4.268 8.791 6.113 1.00 0.17 O ATOM 402 CB PHE A 56 2.761 5.909 5.894 1.00 0.13 C ATOM 403 CG PHE A 56 4.193 5.575 5.583 1.00 0.16 C ATOM 404 CD1 PHE A 56 4.990 4.939 6.519 1.00 0.23 C ATOM 405 CD2 PHE A 56 4.732 5.871 4.341 1.00 0.20 C ATOM 406 CE1 PHE A 56 6.297 4.603 6.223 1.00 0.28 C ATOM 407 CE2 PHE A 56 6.039 5.542 4.041 1.00 0.26 C ATOM 408 CZ PHE A 56 6.856 5.008 5.033 1.00 0.28 C ATOM 0 H PHE A 56 0.541 7.000 6.561 1.00 0.15 H new ATOM 0 HA PHE A 56 3.211 7.103 7.616 1.00 0.12 H new ATOM 0 HB2 PHE A 56 2.311 5.088 6.452 1.00 0.13 H new ATOM 0 HB3 PHE A 56 2.202 6.005 4.963 1.00 0.13 H new ATOM 0 HD1 PHE A 56 4.585 4.703 7.492 1.00 0.23 H new ATOM 0 HD2 PHE A 56 4.122 6.365 3.599 1.00 0.20 H new ATOM 0 HE1 PHE A 56 6.879 4.023 6.925 1.00 0.28 H new ATOM 0 HE2 PHE A 56 6.424 5.698 3.044 1.00 0.26 H new ATOM 0 HZ PHE A 56 7.919 4.912 4.870 1.00 0.28 H new ATOM 418 N THR A 57 2.399 8.788 4.892 1.00 0.16 N ATOM 419 CA THR A 57 2.873 9.817 3.961 1.00 0.24 C ATOM 420 C THR A 57 3.359 11.058 4.716 1.00 0.26 C ATOM 421 O THR A 57 4.319 11.707 4.316 1.00 0.35 O ATOM 422 CB THR A 57 1.780 10.241 2.968 1.00 0.32 C ATOM 423 OG1 THR A 57 1.044 9.090 2.513 1.00 0.39 O ATOM 424 CG2 THR A 57 2.389 10.946 1.765 1.00 0.46 C ATOM 0 H THR A 57 1.447 8.466 4.719 1.00 0.16 H new ATOM 0 HA THR A 57 3.700 9.374 3.406 1.00 0.24 H new ATOM 0 HB THR A 57 1.107 10.926 3.484 1.00 0.32 H new ATOM 0 HG1 THR A 57 0.332 8.883 3.154 1.00 0.39 H new ATOM 0 HG21 THR A 57 1.597 11.237 1.075 1.00 0.46 H new ATOM 0 HG22 THR A 57 2.926 11.834 2.097 1.00 0.46 H new ATOM 0 HG23 THR A 57 3.081 10.272 1.260 1.00 0.46 H new ATOM 432 N LYS A 58 2.751 11.322 5.863 1.00 0.24 N ATOM 433 CA LYS A 58 3.098 12.509 6.637 1.00 0.31 C ATOM 434 C LYS A 58 4.423 12.282 7.350 1.00 0.29 C ATOM 435 O LYS A 58 5.238 13.197 7.497 1.00 0.31 O ATOM 436 CB LYS A 58 1.998 12.848 7.644 1.00 0.39 C ATOM 437 CG LYS A 58 2.403 13.911 8.651 1.00 0.50 C ATOM 438 CD LYS A 58 1.261 14.272 9.583 1.00 1.34 C ATOM 439 CE LYS A 58 1.737 15.146 10.734 1.00 1.93 C ATOM 440 NZ LYS A 58 2.452 16.362 10.264 1.00 2.52 N ATOM 0 H LYS A 58 2.023 10.739 6.276 1.00 0.24 H new ATOM 0 HA LYS A 58 3.197 13.355 5.956 1.00 0.31 H new ATOM 0 HB2 LYS A 58 1.115 13.189 7.104 1.00 0.39 H new ATOM 0 HB3 LYS A 58 1.715 11.942 8.179 1.00 0.39 H new ATOM 0 HG2 LYS A 58 3.250 13.553 9.236 1.00 0.50 H new ATOM 0 HG3 LYS A 58 2.736 14.804 8.122 1.00 0.50 H new ATOM 0 HD2 LYS A 58 0.485 14.795 9.024 1.00 1.34 H new ATOM 0 HD3 LYS A 58 0.810 13.362 9.978 1.00 1.34 H new ATOM 0 HE2 LYS A 58 0.881 15.443 11.340 1.00 1.93 H new ATOM 0 HE3 LYS A 58 2.397 14.566 11.378 1.00 1.93 H new ATOM 0 HZ1 LYS A 58 2.607 17.005 11.066 1.00 2.52 H new ATOM 0 HZ2 LYS A 58 3.369 16.090 9.856 1.00 2.52 H new ATOM 0 HZ3 LYS A 58 1.881 16.843 9.540 1.00 2.52 H new ATOM 454 N GLU A 59 4.642 11.047 7.774 1.00 0.26 N ATOM 455 CA GLU A 59 5.885 10.680 8.420 1.00 0.25 C ATOM 456 C GLU A 59 6.930 10.347 7.358 1.00 0.21 C ATOM 457 O GLU A 59 8.121 10.377 7.617 1.00 0.24 O ATOM 458 CB GLU A 59 5.681 9.493 9.364 1.00 0.31 C ATOM 459 CG GLU A 59 6.345 8.216 8.886 1.00 0.43 C ATOM 460 CD GLU A 59 6.251 7.097 9.901 1.00 0.76 C ATOM 461 OE1 GLU A 59 6.925 7.177 10.948 1.00 0.98 O ATOM 462 OE2 GLU A 59 5.495 6.131 9.663 1.00 0.97 O ATOM 0 H GLU A 59 3.972 10.284 7.681 1.00 0.26 H new ATOM 0 HA GLU A 59 6.234 11.522 9.017 1.00 0.25 H new ATOM 0 HB2 GLU A 59 6.073 9.750 10.348 1.00 0.31 H new ATOM 0 HB3 GLU A 59 4.612 9.314 9.484 1.00 0.31 H new ATOM 0 HG2 GLU A 59 5.880 7.896 7.954 1.00 0.43 H new ATOM 0 HG3 GLU A 59 7.394 8.416 8.667 1.00 0.43 H new ATOM 469 N GLN A 60 6.458 10.018 6.165 1.00 0.19 N ATOM 470 CA GLN A 60 7.315 9.704 5.032 1.00 0.19 C ATOM 471 C GLN A 60 8.145 10.924 4.701 1.00 0.22 C ATOM 472 O GLN A 60 9.369 10.869 4.640 1.00 0.23 O ATOM 473 CB GLN A 60 6.439 9.321 3.840 1.00 0.21 C ATOM 474 CG GLN A 60 7.150 8.583 2.726 1.00 0.28 C ATOM 475 CD GLN A 60 6.176 8.148 1.650 1.00 0.40 C ATOM 476 OE1 GLN A 60 4.998 7.913 1.921 1.00 0.90 O ATOM 477 NE2 GLN A 60 6.657 8.024 0.431 1.00 0.26 N ATOM 0 H GLN A 60 5.462 9.961 5.954 1.00 0.19 H new ATOM 0 HA GLN A 60 7.977 8.871 5.270 1.00 0.19 H new ATOM 0 HB2 GLN A 60 5.618 8.701 4.198 1.00 0.21 H new ATOM 0 HB3 GLN A 60 5.997 10.228 3.428 1.00 0.21 H new ATOM 0 HG2 GLN A 60 7.915 9.226 2.290 1.00 0.28 H new ATOM 0 HG3 GLN A 60 7.661 7.710 3.132 1.00 0.28 H new ATOM 0 HE21 GLN A 60 7.639 8.228 0.247 1.00 0.26 H new ATOM 0 HE22 GLN A 60 6.047 7.724 -0.330 1.00 0.26 H new ATOM 486 N GLN A 61 7.452 12.039 4.534 1.00 0.28 N ATOM 487 CA GLN A 61 8.096 13.329 4.341 1.00 0.34 C ATOM 488 C GLN A 61 9.028 13.630 5.513 1.00 0.34 C ATOM 489 O GLN A 61 10.097 14.213 5.348 1.00 0.37 O ATOM 490 CB GLN A 61 7.044 14.435 4.246 1.00 0.45 C ATOM 491 CG GLN A 61 6.482 14.656 2.840 1.00 0.58 C ATOM 492 CD GLN A 61 5.657 13.508 2.298 1.00 0.77 C ATOM 493 OE1 GLN A 61 4.434 13.503 2.423 1.00 1.23 O ATOM 494 NE2 GLN A 61 6.308 12.539 1.678 1.00 1.12 N ATOM 0 H GLN A 61 6.433 12.076 4.528 1.00 0.28 H new ATOM 0 HA GLN A 61 8.671 13.292 3.416 1.00 0.34 H new ATOM 0 HB2 GLN A 61 6.221 14.195 4.919 1.00 0.45 H new ATOM 0 HB3 GLN A 61 7.483 15.368 4.599 1.00 0.45 H new ATOM 0 HG2 GLN A 61 5.866 15.556 2.847 1.00 0.58 H new ATOM 0 HG3 GLN A 61 7.311 14.843 2.158 1.00 0.58 H new ATOM 0 HE21 GLN A 61 7.324 12.579 1.595 1.00 1.12 H new ATOM 0 HE22 GLN A 61 5.795 11.751 1.283 1.00 1.12 H new ATOM 503 N ARG A 62 8.597 13.207 6.695 1.00 0.34 N ATOM 504 CA ARG A 62 9.287 13.488 7.946 1.00 0.39 C ATOM 505 C ARG A 62 10.558 12.653 8.113 1.00 0.36 C ATOM 506 O ARG A 62 11.613 13.177 8.465 1.00 0.41 O ATOM 507 CB ARG A 62 8.322 13.218 9.095 1.00 0.44 C ATOM 508 CG ARG A 62 8.882 13.513 10.480 1.00 0.58 C ATOM 509 CD ARG A 62 9.296 14.970 10.632 1.00 1.13 C ATOM 510 NE ARG A 62 8.195 15.893 10.362 1.00 1.93 N ATOM 511 CZ ARG A 62 7.691 16.741 11.261 1.00 2.74 C ATOM 512 NH1 ARG A 62 8.157 16.762 12.503 1.00 2.99 N ATOM 513 NH2 ARG A 62 6.710 17.561 10.913 1.00 3.73 N ATOM 0 H ARG A 62 7.749 12.653 6.812 1.00 0.34 H new ATOM 0 HA ARG A 62 9.602 14.532 7.942 1.00 0.39 H new ATOM 0 HB2 ARG A 62 7.424 13.818 8.946 1.00 0.44 H new ATOM 0 HB3 ARG A 62 8.017 12.172 9.057 1.00 0.44 H new ATOM 0 HG2 ARG A 62 8.133 13.269 11.233 1.00 0.58 H new ATOM 0 HG3 ARG A 62 9.743 12.871 10.667 1.00 0.58 H new ATOM 0 HD2 ARG A 62 9.666 15.136 11.644 1.00 1.13 H new ATOM 0 HD3 ARG A 62 10.121 15.183 9.952 1.00 1.13 H new ATOM 0 HE ARG A 62 7.786 15.889 9.428 1.00 1.93 H new ATOM 0 HH11 ARG A 62 8.906 16.127 12.777 1.00 2.99 H new ATOM 0 HH12 ARG A 62 7.766 17.413 13.184 1.00 2.99 H new ATOM 0 HH21 ARG A 62 6.343 17.542 9.961 1.00 3.73 H new ATOM 0 HH22 ARG A 62 6.322 18.211 11.597 1.00 3.73 H new ATOM 527 N LEU A 63 10.448 11.351 7.869 1.00 0.30 N ATOM 528 CA LEU A 63 11.575 10.430 7.998 1.00 0.32 C ATOM 529 C LEU A 63 12.523 10.549 6.829 1.00 0.31 C ATOM 530 O LEU A 63 13.405 9.705 6.638 1.00 0.37 O ATOM 531 CB LEU A 63 11.084 8.987 8.138 1.00 0.33 C ATOM 532 CG LEU A 63 10.301 8.692 9.417 1.00 0.40 C ATOM 533 CD1 LEU A 63 9.891 7.231 9.459 1.00 1.01 C ATOM 534 CD2 LEU A 63 11.123 9.050 10.646 1.00 0.65 C ATOM 0 H LEU A 63 9.579 10.904 7.577 1.00 0.30 H new ATOM 0 HA LEU A 63 12.119 10.704 8.902 1.00 0.32 H new ATOM 0 HB2 LEU A 63 10.454 8.749 7.281 1.00 0.33 H new ATOM 0 HB3 LEU A 63 11.945 8.320 8.095 1.00 0.33 H new ATOM 0 HG LEU A 63 9.401 9.306 9.418 1.00 0.40 H new ATOM 0 HD11 LEU A 63 9.334 7.036 10.375 1.00 1.01 H new ATOM 0 HD12 LEU A 63 9.263 7.004 8.597 1.00 1.01 H new ATOM 0 HD13 LEU A 63 10.781 6.602 9.434 1.00 1.01 H new ATOM 0 HD21 LEU A 63 10.547 8.832 11.545 1.00 0.65 H new ATOM 0 HD22 LEU A 63 12.042 8.463 10.653 1.00 0.65 H new ATOM 0 HD23 LEU A 63 11.370 10.111 10.622 1.00 0.65 H new ATOM 546 N GLY A 64 12.339 11.601 6.058 1.00 0.28 N ATOM 547 CA GLY A 64 13.173 11.831 4.908 1.00 0.30 C ATOM 548 C GLY A 64 12.983 10.738 3.894 1.00 0.27 C ATOM 549 O GLY A 64 13.862 10.474 3.071 1.00 0.33 O ATOM 0 H GLY A 64 11.619 12.307 6.211 1.00 0.28 H new ATOM 0 HA2 GLY A 64 12.930 12.795 4.462 1.00 0.30 H new ATOM 0 HA3 GLY A 64 14.219 11.875 5.213 1.00 0.30 H new ATOM 553 N ILE A 65 11.834 10.082 3.971 1.00 0.22 N ATOM 554 CA ILE A 65 11.525 9.021 3.062 1.00 0.20 C ATOM 555 C ILE A 65 10.924 9.615 1.799 1.00 0.21 C ATOM 556 O ILE A 65 9.921 10.329 1.865 1.00 0.23 O ATOM 557 CB ILE A 65 10.543 7.980 3.650 1.00 0.18 C ATOM 558 CG1 ILE A 65 11.109 7.361 4.930 1.00 0.20 C ATOM 559 CG2 ILE A 65 10.252 6.890 2.622 1.00 0.19 C ATOM 560 CD1 ILE A 65 10.330 6.155 5.417 1.00 0.20 C ATOM 0 H ILE A 65 11.108 10.277 4.660 1.00 0.22 H new ATOM 0 HA ILE A 65 12.456 8.495 2.851 1.00 0.20 H new ATOM 0 HB ILE A 65 9.612 8.490 3.898 1.00 0.18 H new ATOM 0 HG12 ILE A 65 12.144 7.068 4.755 1.00 0.20 H new ATOM 0 HG13 ILE A 65 11.120 8.117 5.715 1.00 0.20 H new ATOM 0 HG21 ILE A 65 9.560 6.164 3.048 1.00 0.19 H new ATOM 0 HG22 ILE A 65 9.807 7.337 1.733 1.00 0.19 H new ATOM 0 HG23 ILE A 65 11.181 6.389 2.350 1.00 0.19 H new ATOM 0 HD11 ILE A 65 10.788 5.769 6.328 1.00 0.20 H new ATOM 0 HD12 ILE A 65 9.300 6.446 5.625 1.00 0.20 H new ATOM 0 HD13 ILE A 65 10.340 5.381 4.650 1.00 0.20 H new ATOM 572 N PRO A 66 11.546 9.360 0.645 1.00 0.24 N ATOM 573 CA PRO A 66 11.046 9.835 -0.646 1.00 0.27 C ATOM 574 C PRO A 66 9.560 9.532 -0.819 1.00 0.22 C ATOM 575 O PRO A 66 9.105 8.448 -0.489 1.00 0.23 O ATOM 576 CB PRO A 66 11.869 9.031 -1.646 1.00 0.35 C ATOM 577 CG PRO A 66 13.145 8.726 -0.944 1.00 0.26 C ATOM 578 CD PRO A 66 12.802 8.604 0.512 1.00 0.31 C ATOM 0 HA PRO A 66 11.141 10.915 -0.762 1.00 0.27 H new ATOM 0 HB2 PRO A 66 11.352 8.117 -1.937 1.00 0.35 H new ATOM 0 HB3 PRO A 66 12.047 9.601 -2.558 1.00 0.35 H new ATOM 0 HG2 PRO A 66 13.585 7.802 -1.319 1.00 0.26 H new ATOM 0 HG3 PRO A 66 13.878 9.517 -1.107 1.00 0.26 H new ATOM 0 HD2 PRO A 66 12.674 7.562 0.806 1.00 0.31 H new ATOM 0 HD3 PRO A 66 13.587 9.020 1.144 1.00 0.31 H new ATOM 586 N LYS A 67 8.801 10.517 -1.283 1.00 0.25 N ATOM 587 CA LYS A 67 7.363 10.350 -1.525 1.00 0.27 C ATOM 588 C LYS A 67 7.086 9.276 -2.578 1.00 0.25 C ATOM 589 O LYS A 67 6.066 8.596 -2.533 1.00 0.36 O ATOM 590 CB LYS A 67 6.759 11.675 -1.984 1.00 0.43 C ATOM 591 CG LYS A 67 7.435 12.230 -3.226 1.00 1.04 C ATOM 592 CD LYS A 67 6.708 13.442 -3.782 1.00 1.15 C ATOM 593 CE LYS A 67 6.789 14.635 -2.842 1.00 1.67 C ATOM 594 NZ LYS A 67 6.110 15.827 -3.414 1.00 2.42 N ATOM 0 H LYS A 67 9.155 11.448 -1.502 1.00 0.25 H new ATOM 0 HA LYS A 67 6.905 10.033 -0.588 1.00 0.27 H new ATOM 0 HB2 LYS A 67 5.697 11.535 -2.186 1.00 0.43 H new ATOM 0 HB3 LYS A 67 6.837 12.404 -1.177 1.00 0.43 H new ATOM 0 HG2 LYS A 67 8.463 12.503 -2.987 1.00 1.04 H new ATOM 0 HG3 LYS A 67 7.481 11.454 -3.990 1.00 1.04 H new ATOM 0 HD2 LYS A 67 7.137 13.711 -4.747 1.00 1.15 H new ATOM 0 HD3 LYS A 67 5.662 13.189 -3.957 1.00 1.15 H new ATOM 0 HE2 LYS A 67 6.332 14.378 -1.886 1.00 1.67 H new ATOM 0 HE3 LYS A 67 7.834 14.871 -2.642 1.00 1.67 H new ATOM 0 HZ1 LYS A 67 6.184 16.622 -2.748 1.00 2.42 H new ATOM 0 HZ2 LYS A 67 6.563 16.086 -4.314 1.00 2.42 H new ATOM 0 HZ3 LYS A 67 5.107 15.608 -3.582 1.00 2.42 H new ATOM 608 N ASP A 68 8.006 9.146 -3.512 1.00 0.28 N ATOM 609 CA ASP A 68 7.889 8.197 -4.610 1.00 0.28 C ATOM 610 C ASP A 68 8.471 6.866 -4.169 1.00 0.21 C ATOM 611 O ASP A 68 9.269 6.823 -3.246 1.00 0.23 O ATOM 612 CB ASP A 68 8.634 8.777 -5.822 1.00 0.39 C ATOM 613 CG ASP A 68 8.535 7.930 -7.068 1.00 1.12 C ATOM 614 OD1 ASP A 68 7.540 8.058 -7.811 1.00 1.65 O ATOM 615 OD2 ASP A 68 9.459 7.135 -7.314 1.00 1.88 O ATOM 0 H ASP A 68 8.863 9.698 -3.534 1.00 0.28 H new ATOM 0 HA ASP A 68 6.849 8.030 -4.890 1.00 0.28 H new ATOM 0 HB2 ASP A 68 8.238 9.769 -6.038 1.00 0.39 H new ATOM 0 HB3 ASP A 68 9.685 8.902 -5.563 1.00 0.39 H new ATOM 620 N PRO A 69 8.009 5.755 -4.753 1.00 0.19 N ATOM 621 CA PRO A 69 8.528 4.428 -4.440 1.00 0.20 C ATOM 622 C PRO A 69 9.828 4.083 -5.156 1.00 0.26 C ATOM 623 O PRO A 69 10.762 3.611 -4.531 1.00 0.65 O ATOM 624 CB PRO A 69 7.428 3.480 -4.919 1.00 0.40 C ATOM 625 CG PRO A 69 6.323 4.331 -5.462 1.00 0.37 C ATOM 626 CD PRO A 69 6.894 5.692 -5.703 1.00 0.22 C ATOM 0 HA PRO A 69 8.764 4.361 -3.378 1.00 0.20 H new ATOM 0 HB2 PRO A 69 7.808 2.805 -5.686 1.00 0.40 H new ATOM 0 HB3 PRO A 69 7.069 2.860 -4.098 1.00 0.40 H new ATOM 0 HG2 PRO A 69 5.931 3.909 -6.387 1.00 0.37 H new ATOM 0 HG3 PRO A 69 5.493 4.381 -4.757 1.00 0.37 H new ATOM 0 HD2 PRO A 69 7.233 5.811 -6.732 1.00 0.22 H new ATOM 0 HD3 PRO A 69 6.160 6.476 -5.517 1.00 0.22 H new ATOM 634 N ARG A 70 9.894 4.358 -6.453 1.00 0.20 N ATOM 635 CA ARG A 70 10.913 3.756 -7.330 1.00 0.26 C ATOM 636 C ARG A 70 12.339 4.266 -7.093 1.00 0.19 C ATOM 637 O ARG A 70 13.239 3.967 -7.878 1.00 0.27 O ATOM 638 CB ARG A 70 10.547 3.841 -8.826 1.00 0.46 C ATOM 639 CG ARG A 70 9.646 4.994 -9.236 1.00 0.96 C ATOM 640 CD ARG A 70 8.196 4.762 -8.825 1.00 0.87 C ATOM 641 NE ARG A 70 7.318 5.799 -9.355 1.00 1.06 N ATOM 642 CZ ARG A 70 6.392 5.592 -10.287 1.00 1.29 C ATOM 643 NH1 ARG A 70 6.218 4.385 -10.805 1.00 1.89 N ATOM 644 NH2 ARG A 70 5.642 6.599 -10.714 1.00 1.79 N ATOM 0 H ARG A 70 9.256 4.995 -6.930 1.00 0.20 H new ATOM 0 HA ARG A 70 10.911 2.705 -7.040 1.00 0.26 H new ATOM 0 HB2 ARG A 70 11.471 3.908 -9.401 1.00 0.46 H new ATOM 0 HB3 ARG A 70 10.061 2.909 -9.112 1.00 0.46 H new ATOM 0 HG2 ARG A 70 10.008 5.916 -8.781 1.00 0.96 H new ATOM 0 HG3 ARG A 70 9.699 5.129 -10.316 1.00 0.96 H new ATOM 0 HD2 ARG A 70 7.867 3.787 -9.183 1.00 0.87 H new ATOM 0 HD3 ARG A 70 8.123 4.743 -7.738 1.00 0.87 H new ATOM 0 HE ARG A 70 7.421 6.745 -8.987 1.00 1.06 H new ATOM 0 HH11 ARG A 70 6.796 3.606 -10.489 1.00 1.89 H new ATOM 0 HH12 ARG A 70 5.506 4.234 -11.519 1.00 1.89 H new ATOM 0 HH21 ARG A 70 5.775 7.534 -10.328 1.00 1.79 H new ATOM 0 HH22 ARG A 70 4.932 6.439 -11.429 1.00 1.79 H new ATOM 658 N GLN A 71 12.551 5.018 -6.025 1.00 0.16 N ATOM 659 CA GLN A 71 13.906 5.405 -5.635 1.00 0.16 C ATOM 660 C GLN A 71 14.177 5.087 -4.159 1.00 0.15 C ATOM 661 O GLN A 71 15.123 5.600 -3.566 1.00 0.18 O ATOM 662 CB GLN A 71 14.159 6.898 -5.903 1.00 0.20 C ATOM 663 CG GLN A 71 13.642 7.801 -4.801 1.00 0.38 C ATOM 664 CD GLN A 71 12.147 7.715 -4.641 1.00 0.26 C ATOM 665 OE1 GLN A 71 11.683 6.681 -3.941 1.00 0.89 O flip ATOM 666 NE2 GLN A 71 11.419 8.535 -5.181 1.00 0.29 N flip ATOM 0 H GLN A 71 11.814 5.372 -5.415 1.00 0.16 H new ATOM 0 HA GLN A 71 14.593 4.820 -6.246 1.00 0.16 H new ATOM 0 HB2 GLN A 71 15.230 7.062 -6.025 1.00 0.20 H new ATOM 0 HB3 GLN A 71 13.685 7.177 -6.844 1.00 0.20 H new ATOM 0 HG2 GLN A 71 14.121 7.532 -3.860 1.00 0.38 H new ATOM 0 HG3 GLN A 71 13.923 8.832 -5.018 1.00 0.38 H new ATOM 0 HE21 GLN A 71 11.825 9.310 -5.706 1.00 0.29 H new ATOM 0 HE22 GLN A 71 10.406 8.445 -5.106 1.00 0.29 H new ATOM 675 N TRP A 72 13.351 4.230 -3.571 1.00 0.12 N ATOM 676 CA TRP A 72 13.458 3.897 -2.156 1.00 0.11 C ATOM 677 C TRP A 72 14.566 2.878 -1.898 1.00 0.12 C ATOM 678 O TRP A 72 15.061 2.230 -2.816 1.00 0.14 O ATOM 679 CB TRP A 72 12.129 3.281 -1.702 1.00 0.11 C ATOM 680 CG TRP A 72 11.115 4.245 -1.189 1.00 0.09 C ATOM 681 CD1 TRP A 72 11.275 5.569 -0.924 1.00 0.10 C ATOM 682 CD2 TRP A 72 9.765 3.930 -0.864 1.00 0.08 C ATOM 683 NE1 TRP A 72 10.092 6.094 -0.465 1.00 0.10 N ATOM 684 CE2 TRP A 72 9.150 5.104 -0.422 1.00 0.08 C ATOM 685 CE3 TRP A 72 9.018 2.760 -0.916 1.00 0.09 C ATOM 686 CZ2 TRP A 72 7.812 5.140 -0.030 1.00 0.09 C ATOM 687 CZ3 TRP A 72 7.699 2.793 -0.531 1.00 0.10 C ATOM 688 CH2 TRP A 72 7.107 3.974 -0.094 1.00 0.10 C ATOM 0 H TRP A 72 12.594 3.750 -4.057 1.00 0.12 H new ATOM 0 HA TRP A 72 13.691 4.809 -1.607 1.00 0.11 H new ATOM 0 HB2 TRP A 72 11.695 2.737 -2.541 1.00 0.11 H new ATOM 0 HB3 TRP A 72 12.336 2.549 -0.921 1.00 0.11 H new ATOM 0 HD1 TRP A 72 12.193 6.123 -1.055 1.00 0.10 H new ATOM 0 HE1 TRP A 72 9.940 7.067 -0.199 1.00 0.10 H new ATOM 0 HE3 TRP A 72 9.467 1.838 -1.254 1.00 0.09 H new ATOM 0 HZ2 TRP A 72 7.352 6.056 0.311 1.00 0.09 H new ATOM 0 HZ3 TRP A 72 7.112 1.887 -0.568 1.00 0.10 H new ATOM 0 HH2 TRP A 72 6.068 3.967 0.201 1.00 0.10 H new ATOM 699 N THR A 73 14.985 2.782 -0.648 1.00 0.14 N ATOM 700 CA THR A 73 15.818 1.682 -0.204 1.00 0.15 C ATOM 701 C THR A 73 14.930 0.535 0.260 1.00 0.15 C ATOM 702 O THR A 73 13.709 0.705 0.340 1.00 0.16 O ATOM 703 CB THR A 73 16.721 2.110 0.969 1.00 0.18 C ATOM 704 OG1 THR A 73 15.905 2.565 2.062 1.00 0.19 O ATOM 705 CG2 THR A 73 17.673 3.225 0.559 1.00 0.21 C ATOM 0 H THR A 73 14.759 3.459 0.081 1.00 0.14 H new ATOM 0 HA THR A 73 16.446 1.371 -1.039 1.00 0.15 H new ATOM 0 HB THR A 73 17.313 1.246 1.272 1.00 0.18 H new ATOM 0 HG1 THR A 73 15.584 3.472 1.875 1.00 0.19 H new ATOM 0 HG21 THR A 73 18.295 3.503 1.410 1.00 0.21 H new ATOM 0 HG22 THR A 73 18.307 2.880 -0.257 1.00 0.21 H new ATOM 0 HG23 THR A 73 17.099 4.091 0.231 1.00 0.21 H new ATOM 713 N GLU A 74 15.516 -0.612 0.586 1.00 0.17 N ATOM 714 CA GLU A 74 14.737 -1.710 1.143 1.00 0.20 C ATOM 715 C GLU A 74 14.064 -1.271 2.435 1.00 0.19 C ATOM 716 O GLU A 74 12.922 -1.636 2.711 1.00 0.28 O ATOM 717 CB GLU A 74 15.608 -2.937 1.409 1.00 0.29 C ATOM 718 CG GLU A 74 15.967 -3.719 0.160 1.00 1.25 C ATOM 719 CD GLU A 74 16.562 -5.073 0.489 1.00 1.79 C ATOM 720 OE1 GLU A 74 15.867 -5.905 1.108 1.00 2.67 O ATOM 721 OE2 GLU A 74 17.736 -5.308 0.132 1.00 1.99 O ATOM 0 H GLU A 74 16.512 -0.804 0.476 1.00 0.17 H new ATOM 0 HA GLU A 74 13.979 -1.984 0.409 1.00 0.20 H new ATOM 0 HB2 GLU A 74 16.526 -2.618 1.903 1.00 0.29 H new ATOM 0 HB3 GLU A 74 15.086 -3.597 2.102 1.00 0.29 H new ATOM 0 HG2 GLU A 74 15.075 -3.854 -0.452 1.00 1.25 H new ATOM 0 HG3 GLU A 74 16.678 -3.146 -0.435 1.00 1.25 H new ATOM 728 N THR A 75 14.768 -0.441 3.194 1.00 0.18 N ATOM 729 CA THR A 75 14.275 0.040 4.470 1.00 0.21 C ATOM 730 C THR A 75 13.019 0.886 4.276 1.00 0.17 C ATOM 731 O THR A 75 12.039 0.730 5.001 1.00 0.20 O ATOM 732 CB THR A 75 15.349 0.883 5.184 1.00 0.29 C ATOM 733 OG1 THR A 75 16.619 0.215 5.125 1.00 0.47 O ATOM 734 CG2 THR A 75 14.968 1.130 6.636 1.00 0.47 C ATOM 0 H THR A 75 15.690 -0.086 2.941 1.00 0.18 H new ATOM 0 HA THR A 75 14.033 -0.828 5.083 1.00 0.21 H new ATOM 0 HB THR A 75 15.420 1.844 4.675 1.00 0.29 H new ATOM 0 HG1 THR A 75 17.296 0.759 5.580 1.00 0.47 H new ATOM 0 HG21 THR A 75 15.742 1.727 7.119 1.00 0.47 H new ATOM 0 HG22 THR A 75 14.019 1.664 6.677 1.00 0.47 H new ATOM 0 HG23 THR A 75 14.870 0.176 7.154 1.00 0.47 H new ATOM 742 N HIS A 76 13.044 1.748 3.260 1.00 0.14 N ATOM 743 CA HIS A 76 11.950 2.688 3.024 1.00 0.12 C ATOM 744 C HIS A 76 10.720 1.963 2.492 1.00 0.10 C ATOM 745 O HIS A 76 9.590 2.248 2.900 1.00 0.10 O ATOM 746 CB HIS A 76 12.384 3.793 2.055 1.00 0.14 C ATOM 747 CG HIS A 76 13.358 4.757 2.657 1.00 0.15 C ATOM 748 ND1 HIS A 76 14.350 5.391 1.936 1.00 0.20 N ATOM 749 CD2 HIS A 76 13.476 5.211 3.925 1.00 0.16 C ATOM 750 CE1 HIS A 76 15.034 6.185 2.734 1.00 0.22 C ATOM 751 NE2 HIS A 76 14.523 6.097 3.948 1.00 0.19 N ATOM 0 H HIS A 76 13.809 1.814 2.588 1.00 0.14 H new ATOM 0 HA HIS A 76 11.689 3.150 3.976 1.00 0.12 H new ATOM 0 HB2 HIS A 76 12.832 3.337 1.172 1.00 0.14 H new ATOM 0 HB3 HIS A 76 11.503 4.339 1.719 1.00 0.14 H new ATOM 0 HD2 HIS A 76 12.859 4.928 4.765 1.00 0.16 H new ATOM 0 HE1 HIS A 76 15.871 6.803 2.444 1.00 0.22 H new ATOM 0 HE2 HIS A 76 14.853 6.605 4.769 1.00 0.19 H new ATOM 760 N VAL A 77 10.952 1.021 1.586 1.00 0.09 N ATOM 761 CA VAL A 77 9.897 0.201 1.043 1.00 0.07 C ATOM 762 C VAL A 77 9.212 -0.578 2.162 1.00 0.08 C ATOM 763 O VAL A 77 8.003 -0.485 2.327 1.00 0.08 O ATOM 764 CB VAL A 77 10.451 -0.766 -0.029 1.00 0.08 C ATOM 765 CG1 VAL A 77 9.389 -1.767 -0.450 1.00 0.09 C ATOM 766 CG2 VAL A 77 10.977 0.013 -1.240 1.00 0.08 C ATOM 0 H VAL A 77 11.878 0.811 1.213 1.00 0.09 H new ATOM 0 HA VAL A 77 9.163 0.851 0.566 1.00 0.07 H new ATOM 0 HB VAL A 77 11.283 -1.319 0.407 1.00 0.08 H new ATOM 0 HG11 VAL A 77 9.800 -2.438 -1.205 1.00 0.09 H new ATOM 0 HG12 VAL A 77 9.072 -2.347 0.417 1.00 0.09 H new ATOM 0 HG13 VAL A 77 8.532 -1.236 -0.865 1.00 0.09 H new ATOM 0 HG21 VAL A 77 11.362 -0.686 -1.983 1.00 0.08 H new ATOM 0 HG22 VAL A 77 10.167 0.597 -1.677 1.00 0.08 H new ATOM 0 HG23 VAL A 77 11.776 0.683 -0.923 1.00 0.08 H new ATOM 776 N ARG A 78 9.997 -1.299 2.959 1.00 0.09 N ATOM 777 CA ARG A 78 9.447 -2.116 4.043 1.00 0.11 C ATOM 778 C ARG A 78 8.713 -1.260 5.074 1.00 0.10 C ATOM 779 O ARG A 78 7.729 -1.707 5.665 1.00 0.14 O ATOM 780 CB ARG A 78 10.544 -2.909 4.741 1.00 0.18 C ATOM 781 CG ARG A 78 11.254 -3.913 3.840 1.00 0.37 C ATOM 782 CD ARG A 78 12.117 -4.869 4.651 1.00 0.40 C ATOM 783 NE ARG A 78 13.273 -5.350 3.897 1.00 1.11 N ATOM 784 CZ ARG A 78 14.339 -5.918 4.464 1.00 1.43 C ATOM 785 NH1 ARG A 78 14.388 -6.071 5.783 1.00 1.57 N ATOM 786 NH2 ARG A 78 15.361 -6.314 3.715 1.00 2.21 N ATOM 0 H ARG A 78 11.013 -1.336 2.877 1.00 0.09 H new ATOM 0 HA ARG A 78 8.736 -2.806 3.589 1.00 0.11 H new ATOM 0 HB2 ARG A 78 11.281 -2.214 5.143 1.00 0.18 H new ATOM 0 HB3 ARG A 78 10.111 -3.440 5.588 1.00 0.18 H new ATOM 0 HG2 ARG A 78 10.517 -4.479 3.271 1.00 0.37 H new ATOM 0 HG3 ARG A 78 11.875 -3.382 3.118 1.00 0.37 H new ATOM 0 HD2 ARG A 78 12.460 -4.367 5.556 1.00 0.40 H new ATOM 0 HD3 ARG A 78 11.513 -5.720 4.968 1.00 0.40 H new ATOM 0 HE ARG A 78 13.264 -5.246 2.882 1.00 1.11 H new ATOM 0 HH11 ARG A 78 13.611 -5.754 6.362 1.00 1.57 H new ATOM 0 HH12 ARG A 78 15.203 -6.505 6.216 1.00 1.57 H new ATOM 0 HH21 ARG A 78 15.333 -6.184 2.704 1.00 2.21 H new ATOM 0 HH22 ARG A 78 16.175 -6.748 4.151 1.00 2.21 H new ATOM 800 N ASP A 79 9.201 -0.041 5.286 1.00 0.11 N ATOM 801 CA ASP A 79 8.558 0.922 6.180 1.00 0.12 C ATOM 802 C ASP A 79 7.107 1.102 5.785 1.00 0.11 C ATOM 803 O ASP A 79 6.174 0.868 6.565 1.00 0.12 O ATOM 804 CB ASP A 79 9.261 2.276 6.078 1.00 0.16 C ATOM 805 CG ASP A 79 10.389 2.448 7.072 1.00 0.57 C ATOM 806 OD1 ASP A 79 10.244 2.003 8.231 1.00 1.05 O ATOM 807 OD2 ASP A 79 11.437 3.026 6.702 1.00 0.95 O ATOM 0 H ASP A 79 10.052 0.308 4.845 1.00 0.11 H new ATOM 0 HA ASP A 79 8.622 0.546 7.201 1.00 0.12 H new ATOM 0 HB2 ASP A 79 9.655 2.396 5.069 1.00 0.16 H new ATOM 0 HB3 ASP A 79 8.529 3.069 6.231 1.00 0.16 H new ATOM 812 N TRP A 80 6.933 1.469 4.534 1.00 0.10 N ATOM 813 CA TRP A 80 5.631 1.739 3.976 1.00 0.09 C ATOM 814 C TRP A 80 4.856 0.436 3.808 1.00 0.09 C ATOM 815 O TRP A 80 3.625 0.407 3.898 1.00 0.09 O ATOM 816 CB TRP A 80 5.859 2.445 2.646 1.00 0.09 C ATOM 817 CG TRP A 80 4.798 2.244 1.632 1.00 0.09 C ATOM 818 CD1 TRP A 80 3.696 3.010 1.426 1.00 0.10 C ATOM 819 CD2 TRP A 80 4.767 1.205 0.659 1.00 0.09 C ATOM 820 NE1 TRP A 80 2.985 2.511 0.365 1.00 0.10 N ATOM 821 CE2 TRP A 80 3.624 1.400 -0.116 1.00 0.09 C ATOM 822 CE3 TRP A 80 5.606 0.125 0.369 1.00 0.10 C ATOM 823 CZ2 TRP A 80 3.295 0.563 -1.166 1.00 0.09 C ATOM 824 CZ3 TRP A 80 5.273 -0.711 -0.673 1.00 0.11 C ATOM 825 CH2 TRP A 80 4.127 -0.486 -1.432 1.00 0.10 C ATOM 0 H TRP A 80 7.700 1.589 3.872 1.00 0.10 H new ATOM 0 HA TRP A 80 5.033 2.373 4.631 1.00 0.09 H new ATOM 0 HB2 TRP A 80 5.961 3.514 2.834 1.00 0.09 H new ATOM 0 HB3 TRP A 80 6.806 2.102 2.229 1.00 0.09 H new ATOM 0 HD1 TRP A 80 3.422 3.878 2.008 1.00 0.10 H new ATOM 0 HE1 TRP A 80 2.120 2.904 -0.006 1.00 0.10 H new ATOM 0 HE3 TRP A 80 6.499 -0.050 0.951 1.00 0.10 H new ATOM 0 HZ2 TRP A 80 2.408 0.734 -1.757 1.00 0.09 H new ATOM 0 HZ3 TRP A 80 5.909 -1.553 -0.905 1.00 0.11 H new ATOM 0 HH2 TRP A 80 3.892 -1.155 -2.247 1.00 0.10 H new ATOM 836 N VAL A 81 5.611 -0.635 3.605 1.00 0.10 N ATOM 837 CA VAL A 81 5.069 -1.966 3.425 1.00 0.11 C ATOM 838 C VAL A 81 4.310 -2.397 4.676 1.00 0.11 C ATOM 839 O VAL A 81 3.119 -2.699 4.631 1.00 0.11 O ATOM 840 CB VAL A 81 6.215 -2.959 3.096 1.00 0.13 C ATOM 841 CG1 VAL A 81 5.926 -4.367 3.579 1.00 0.14 C ATOM 842 CG2 VAL A 81 6.491 -2.974 1.602 1.00 0.14 C ATOM 0 H VAL A 81 6.629 -0.599 3.561 1.00 0.10 H new ATOM 0 HA VAL A 81 4.368 -1.962 2.590 1.00 0.11 H new ATOM 0 HB VAL A 81 7.097 -2.607 3.630 1.00 0.13 H new ATOM 0 HG11 VAL A 81 6.761 -5.018 3.322 1.00 0.14 H new ATOM 0 HG12 VAL A 81 5.791 -4.360 4.661 1.00 0.14 H new ATOM 0 HG13 VAL A 81 5.018 -4.736 3.102 1.00 0.14 H new ATOM 0 HG21 VAL A 81 7.297 -3.675 1.388 1.00 0.14 H new ATOM 0 HG22 VAL A 81 5.591 -3.282 1.069 1.00 0.14 H new ATOM 0 HG23 VAL A 81 6.782 -1.976 1.276 1.00 0.14 H new ATOM 852 N MET A 82 5.001 -2.398 5.795 1.00 0.11 N ATOM 853 CA MET A 82 4.383 -2.783 7.047 1.00 0.12 C ATOM 854 C MET A 82 3.400 -1.731 7.550 1.00 0.11 C ATOM 855 O MET A 82 2.595 -2.024 8.426 1.00 0.12 O ATOM 856 CB MET A 82 5.429 -3.105 8.107 1.00 0.15 C ATOM 857 CG MET A 82 6.307 -1.925 8.497 1.00 0.13 C ATOM 858 SD MET A 82 7.675 -2.398 9.577 1.00 0.49 S ATOM 859 CE MET A 82 6.790 -3.242 10.887 1.00 0.42 C ATOM 0 H MET A 82 5.985 -2.138 5.865 1.00 0.11 H new ATOM 0 HA MET A 82 3.812 -3.690 6.851 1.00 0.12 H new ATOM 0 HB2 MET A 82 4.924 -3.478 8.998 1.00 0.15 H new ATOM 0 HB3 MET A 82 6.065 -3.911 7.741 1.00 0.15 H new ATOM 0 HG2 MET A 82 6.706 -1.461 7.595 1.00 0.13 H new ATOM 0 HG3 MET A 82 5.697 -1.174 8.999 1.00 0.13 H new ATOM 0 HE1 MET A 82 7.477 -3.470 11.702 1.00 0.42 H new ATOM 0 HE2 MET A 82 5.989 -2.602 11.256 1.00 0.42 H new ATOM 0 HE3 MET A 82 6.365 -4.168 10.501 1.00 0.42 H new ATOM 869 N TRP A 83 3.450 -0.506 7.020 1.00 0.09 N ATOM 870 CA TRP A 83 2.513 0.515 7.475 1.00 0.09 C ATOM 871 C TRP A 83 1.082 0.212 7.025 1.00 0.09 C ATOM 872 O TRP A 83 0.196 0.061 7.857 1.00 0.11 O ATOM 873 CB TRP A 83 2.922 1.916 7.003 1.00 0.09 C ATOM 874 CG TRP A 83 1.930 2.965 7.395 1.00 0.10 C ATOM 875 CD1 TRP A 83 1.888 3.658 8.567 1.00 0.12 C ATOM 876 CD2 TRP A 83 0.835 3.440 6.606 1.00 0.11 C ATOM 877 NE1 TRP A 83 0.830 4.529 8.555 1.00 0.14 N ATOM 878 CE2 TRP A 83 0.170 4.414 7.363 1.00 0.13 C ATOM 879 CE3 TRP A 83 0.355 3.134 5.329 1.00 0.12 C ATOM 880 CZ2 TRP A 83 -0.949 5.084 6.887 1.00 0.15 C ATOM 881 CZ3 TRP A 83 -0.756 3.800 4.859 1.00 0.14 C ATOM 882 CH2 TRP A 83 -1.394 4.764 5.635 1.00 0.15 C ATOM 0 H TRP A 83 4.107 -0.207 6.300 1.00 0.09 H new ATOM 0 HA TRP A 83 2.544 0.497 8.564 1.00 0.09 H new ATOM 0 HB2 TRP A 83 3.896 2.167 7.422 1.00 0.09 H new ATOM 0 HB3 TRP A 83 3.033 1.913 5.919 1.00 0.09 H new ATOM 0 HD1 TRP A 83 2.585 3.539 9.384 1.00 0.12 H new ATOM 0 HE1 TRP A 83 0.576 5.162 9.314 1.00 0.14 H new ATOM 0 HE3 TRP A 83 0.846 2.389 4.721 1.00 0.12 H new ATOM 0 HZ2 TRP A 83 -1.450 5.831 7.485 1.00 0.15 H new ATOM 0 HZ3 TRP A 83 -1.137 3.571 3.875 1.00 0.14 H new ATOM 0 HH2 TRP A 83 -2.261 5.271 5.238 1.00 0.15 H new ATOM 893 N ALA A 84 0.838 0.115 5.722 1.00 0.09 N ATOM 894 CA ALA A 84 -0.519 -0.163 5.252 1.00 0.10 C ATOM 895 C ALA A 84 -0.985 -1.480 5.854 1.00 0.10 C ATOM 896 O ALA A 84 -2.149 -1.659 6.219 1.00 0.12 O ATOM 897 CB ALA A 84 -0.576 -0.201 3.733 1.00 0.12 C ATOM 0 H ALA A 84 1.539 0.221 4.989 1.00 0.09 H new ATOM 0 HA ALA A 84 -1.186 0.637 5.574 1.00 0.10 H new ATOM 0 HB1 ALA A 84 -1.597 -0.410 3.412 1.00 0.12 H new ATOM 0 HB2 ALA A 84 -0.260 0.762 3.333 1.00 0.12 H new ATOM 0 HB3 ALA A 84 0.087 -0.983 3.363 1.00 0.12 H new ATOM 903 N VAL A 85 -0.025 -2.371 5.987 1.00 0.10 N ATOM 904 CA VAL A 85 -0.207 -3.640 6.654 1.00 0.11 C ATOM 905 C VAL A 85 -0.638 -3.477 8.117 1.00 0.13 C ATOM 906 O VAL A 85 -1.633 -4.064 8.536 1.00 0.14 O ATOM 907 CB VAL A 85 1.110 -4.453 6.546 1.00 0.12 C ATOM 908 CG1 VAL A 85 1.295 -5.435 7.697 1.00 0.15 C ATOM 909 CG2 VAL A 85 1.159 -5.176 5.214 1.00 0.14 C ATOM 0 H VAL A 85 0.919 -2.230 5.628 1.00 0.10 H new ATOM 0 HA VAL A 85 -1.017 -4.177 6.161 1.00 0.11 H new ATOM 0 HB VAL A 85 1.935 -3.744 6.610 1.00 0.12 H new ATOM 0 HG11 VAL A 85 2.233 -5.975 7.567 1.00 0.15 H new ATOM 0 HG12 VAL A 85 1.318 -4.890 8.640 1.00 0.15 H new ATOM 0 HG13 VAL A 85 0.467 -6.144 7.707 1.00 0.15 H new ATOM 0 HG21 VAL A 85 2.086 -5.745 5.143 1.00 0.14 H new ATOM 0 HG22 VAL A 85 0.309 -5.854 5.137 1.00 0.14 H new ATOM 0 HG23 VAL A 85 1.117 -4.449 4.403 1.00 0.14 H new ATOM 919 N ASN A 86 0.090 -2.691 8.900 1.00 0.15 N ATOM 920 CA ASN A 86 -0.196 -2.607 10.329 1.00 0.19 C ATOM 921 C ASN A 86 -1.475 -1.820 10.627 1.00 0.23 C ATOM 922 O ASN A 86 -2.096 -2.018 11.670 1.00 0.27 O ATOM 923 CB ASN A 86 1.015 -2.084 11.127 1.00 0.23 C ATOM 924 CG ASN A 86 1.073 -0.578 11.328 1.00 0.34 C ATOM 925 OD1 ASN A 86 0.586 0.177 10.371 1.00 0.61 O flip ATOM 926 ND2 ASN A 86 1.582 -0.102 12.343 1.00 0.32 N flip ATOM 0 H ASN A 86 0.867 -2.113 8.580 1.00 0.15 H new ATOM 0 HA ASN A 86 -0.383 -3.625 10.670 1.00 0.19 H new ATOM 0 HB2 ASN A 86 1.015 -2.563 12.106 1.00 0.23 H new ATOM 0 HB3 ASN A 86 1.926 -2.399 10.618 1.00 0.23 H new ATOM 0 HD21 ASN A 86 1.950 -0.719 13.066 1.00 0.32 H new ATOM 0 HD22 ASN A 86 1.635 0.910 12.460 1.00 0.32 H new ATOM 933 N GLU A 87 -1.897 -0.962 9.699 1.00 0.24 N ATOM 934 CA GLU A 87 -3.121 -0.189 9.888 1.00 0.31 C ATOM 935 C GLU A 87 -4.311 -1.091 9.640 1.00 0.28 C ATOM 936 O GLU A 87 -5.336 -1.013 10.317 1.00 0.35 O ATOM 937 CB GLU A 87 -3.155 1.013 8.946 1.00 0.38 C ATOM 938 CG GLU A 87 -2.025 1.997 9.189 1.00 1.23 C ATOM 939 CD GLU A 87 -2.055 2.587 10.586 1.00 1.35 C ATOM 940 OE1 GLU A 87 -1.501 1.963 11.513 1.00 2.15 O ATOM 941 OE2 GLU A 87 -2.630 3.677 10.767 1.00 1.08 O ATOM 0 H GLU A 87 -1.414 -0.786 8.818 1.00 0.24 H new ATOM 0 HA GLU A 87 -3.155 0.191 10.909 1.00 0.31 H new ATOM 0 HB2 GLU A 87 -3.105 0.660 7.916 1.00 0.38 H new ATOM 0 HB3 GLU A 87 -4.108 1.529 9.061 1.00 0.38 H new ATOM 0 HG2 GLU A 87 -1.071 1.495 9.031 1.00 1.23 H new ATOM 0 HG3 GLU A 87 -2.086 2.802 8.457 1.00 1.23 H new ATOM 948 N PHE A 88 -4.140 -1.969 8.667 1.00 0.23 N ATOM 949 CA PHE A 88 -5.127 -2.981 8.354 1.00 0.23 C ATOM 950 C PHE A 88 -5.051 -4.148 9.322 1.00 0.25 C ATOM 951 O PHE A 88 -5.823 -5.101 9.225 1.00 0.30 O ATOM 952 CB PHE A 88 -4.902 -3.480 6.942 1.00 0.24 C ATOM 953 CG PHE A 88 -5.731 -2.740 5.949 1.00 0.28 C ATOM 954 CD1 PHE A 88 -7.004 -3.162 5.648 1.00 0.41 C ATOM 955 CD2 PHE A 88 -5.216 -1.632 5.295 1.00 0.42 C ATOM 956 CE1 PHE A 88 -7.757 -2.495 4.712 1.00 0.47 C ATOM 957 CE2 PHE A 88 -5.968 -0.956 4.359 1.00 0.50 C ATOM 958 CZ PHE A 88 -7.295 -1.343 4.145 1.00 0.45 C ATOM 0 H PHE A 88 -3.311 -1.998 8.073 1.00 0.23 H new ATOM 0 HA PHE A 88 -6.116 -2.532 8.442 1.00 0.23 H new ATOM 0 HB2 PHE A 88 -3.848 -3.375 6.684 1.00 0.24 H new ATOM 0 HB3 PHE A 88 -5.138 -4.543 6.891 1.00 0.24 H new ATOM 0 HD1 PHE A 88 -7.416 -4.025 6.151 1.00 0.41 H new ATOM 0 HD2 PHE A 88 -4.215 -1.295 5.521 1.00 0.42 H new ATOM 0 HE1 PHE A 88 -8.722 -2.885 4.423 1.00 0.47 H new ATOM 0 HE2 PHE A 88 -5.539 -0.139 3.798 1.00 0.50 H new ATOM 0 HZ PHE A 88 -7.948 -0.735 3.536 1.00 0.45 H new ATOM 968 N SER A 89 -4.111 -4.050 10.259 1.00 0.27 N ATOM 969 CA SER A 89 -3.824 -5.128 11.192 1.00 0.34 C ATOM 970 C SER A 89 -3.581 -6.436 10.443 1.00 0.36 C ATOM 971 O SER A 89 -4.208 -7.454 10.726 1.00 0.48 O ATOM 972 CB SER A 89 -4.970 -5.276 12.195 1.00 0.45 C ATOM 973 OG SER A 89 -5.180 -4.063 12.903 1.00 1.07 O ATOM 0 H SER A 89 -3.530 -3.222 10.390 1.00 0.27 H new ATOM 0 HA SER A 89 -2.915 -4.883 11.742 1.00 0.34 H new ATOM 0 HB2 SER A 89 -5.883 -5.560 11.672 1.00 0.45 H new ATOM 0 HB3 SER A 89 -4.743 -6.078 12.898 1.00 0.45 H new ATOM 0 HG SER A 89 -5.918 -4.178 13.538 1.00 1.07 H new ATOM 979 N LEU A 90 -2.673 -6.398 9.476 1.00 0.31 N ATOM 980 CA LEU A 90 -2.360 -7.573 8.682 1.00 0.40 C ATOM 981 C LEU A 90 -1.278 -8.392 9.369 1.00 0.59 C ATOM 982 O LEU A 90 -1.397 -9.608 9.489 1.00 1.23 O ATOM 983 CB LEU A 90 -1.905 -7.134 7.287 1.00 0.33 C ATOM 984 CG LEU A 90 -2.836 -6.121 6.619 1.00 0.24 C ATOM 985 CD1 LEU A 90 -2.314 -5.726 5.254 1.00 0.29 C ATOM 986 CD2 LEU A 90 -4.240 -6.693 6.501 1.00 0.27 C ATOM 0 H LEU A 90 -2.142 -5.564 9.225 1.00 0.31 H new ATOM 0 HA LEU A 90 -3.248 -8.197 8.584 1.00 0.40 H new ATOM 0 HB2 LEU A 90 -0.907 -6.701 7.361 1.00 0.33 H new ATOM 0 HB3 LEU A 90 -1.824 -8.014 6.649 1.00 0.33 H new ATOM 0 HG LEU A 90 -2.871 -5.228 7.242 1.00 0.24 H new ATOM 0 HD11 LEU A 90 -2.993 -5.005 4.799 1.00 0.29 H new ATOM 0 HD12 LEU A 90 -1.326 -5.278 5.358 1.00 0.29 H new ATOM 0 HD13 LEU A 90 -2.246 -6.610 4.620 1.00 0.29 H new ATOM 0 HD21 LEU A 90 -4.892 -5.961 6.024 1.00 0.27 H new ATOM 0 HD22 LEU A 90 -4.213 -7.602 5.900 1.00 0.27 H new ATOM 0 HD23 LEU A 90 -4.623 -6.926 7.495 1.00 0.27 H new ATOM 998 N LYS A 91 -0.258 -7.673 9.860 1.00 0.24 N ATOM 999 CA LYS A 91 0.846 -8.215 10.676 1.00 0.39 C ATOM 1000 C LYS A 91 1.292 -9.626 10.281 1.00 0.26 C ATOM 1001 O LYS A 91 1.699 -10.410 11.138 1.00 0.39 O ATOM 1002 CB LYS A 91 0.512 -8.176 12.183 1.00 0.78 C ATOM 1003 CG LYS A 91 -0.607 -9.116 12.631 1.00 1.31 C ATOM 1004 CD LYS A 91 -1.968 -8.442 12.597 1.00 1.49 C ATOM 1005 CE LYS A 91 -3.080 -9.407 12.982 1.00 1.91 C ATOM 1006 NZ LYS A 91 -3.245 -10.499 11.984 1.00 2.48 N ATOM 0 H LYS A 91 -0.173 -6.670 9.698 1.00 0.24 H new ATOM 0 HA LYS A 91 1.688 -7.554 10.469 1.00 0.39 H new ATOM 0 HB2 LYS A 91 1.414 -8.419 12.744 1.00 0.78 H new ATOM 0 HB3 LYS A 91 0.236 -7.156 12.450 1.00 0.78 H new ATOM 0 HG2 LYS A 91 -0.622 -9.994 11.986 1.00 1.31 H new ATOM 0 HG3 LYS A 91 -0.402 -9.467 13.642 1.00 1.31 H new ATOM 0 HD2 LYS A 91 -1.971 -7.592 13.279 1.00 1.49 H new ATOM 0 HD3 LYS A 91 -2.156 -8.050 11.598 1.00 1.49 H new ATOM 0 HE2 LYS A 91 -2.862 -9.839 13.959 1.00 1.91 H new ATOM 0 HE3 LYS A 91 -4.018 -8.859 13.078 1.00 1.91 H new ATOM 0 HZ1 LYS A 91 -4.247 -10.577 11.717 1.00 2.48 H new ATOM 0 HZ2 LYS A 91 -2.678 -10.286 11.139 1.00 2.48 H new ATOM 0 HZ3 LYS A 91 -2.926 -11.398 12.397 1.00 2.48 H new ATOM 1020 N GLY A 92 1.243 -9.954 8.998 1.00 0.26 N ATOM 1021 CA GLY A 92 1.712 -11.244 8.548 1.00 0.31 C ATOM 1022 C GLY A 92 2.392 -11.121 7.209 1.00 0.31 C ATOM 1023 O GLY A 92 2.161 -11.915 6.298 1.00 0.47 O ATOM 0 H GLY A 92 0.886 -9.347 8.261 1.00 0.26 H new ATOM 0 HA2 GLY A 92 2.406 -11.660 9.278 1.00 0.31 H new ATOM 0 HA3 GLY A 92 0.874 -11.937 8.474 1.00 0.31 H new ATOM 1027 N VAL A 93 3.222 -10.097 7.093 1.00 0.21 N ATOM 1028 CA VAL A 93 3.942 -9.818 5.873 1.00 0.21 C ATOM 1029 C VAL A 93 5.320 -10.441 5.944 1.00 0.20 C ATOM 1030 O VAL A 93 5.997 -10.351 6.970 1.00 0.22 O ATOM 1031 CB VAL A 93 4.025 -8.287 5.628 1.00 0.21 C ATOM 1032 CG1 VAL A 93 5.439 -7.822 5.320 1.00 0.21 C ATOM 1033 CG2 VAL A 93 3.105 -7.902 4.492 1.00 0.23 C ATOM 0 H VAL A 93 3.412 -9.437 7.847 1.00 0.21 H new ATOM 0 HA VAL A 93 3.408 -10.256 5.030 1.00 0.21 H new ATOM 0 HB VAL A 93 3.715 -7.795 6.550 1.00 0.21 H new ATOM 0 HG11 VAL A 93 5.440 -6.744 5.157 1.00 0.21 H new ATOM 0 HG12 VAL A 93 6.092 -8.063 6.159 1.00 0.21 H new ATOM 0 HG13 VAL A 93 5.800 -8.325 4.423 1.00 0.21 H new ATOM 0 HG21 VAL A 93 3.166 -6.827 4.323 1.00 0.23 H new ATOM 0 HG22 VAL A 93 3.405 -8.429 3.586 1.00 0.23 H new ATOM 0 HG23 VAL A 93 2.080 -8.172 4.746 1.00 0.23 H new ATOM 1043 N ASP A 94 5.724 -11.101 4.872 1.00 0.21 N ATOM 1044 CA ASP A 94 7.057 -11.655 4.817 1.00 0.24 C ATOM 1045 C ASP A 94 7.986 -10.555 4.362 1.00 0.21 C ATOM 1046 O ASP A 94 8.081 -10.266 3.169 1.00 0.20 O ATOM 1047 CB ASP A 94 7.138 -12.852 3.868 1.00 0.32 C ATOM 1048 CG ASP A 94 8.416 -13.649 4.058 1.00 1.02 C ATOM 1049 OD1 ASP A 94 9.497 -13.159 3.672 1.00 1.94 O ATOM 1050 OD2 ASP A 94 8.345 -14.771 4.603 1.00 1.10 O ATOM 0 H ASP A 94 5.154 -11.263 4.041 1.00 0.21 H new ATOM 0 HA ASP A 94 7.341 -12.023 5.803 1.00 0.24 H new ATOM 0 HB2 ASP A 94 6.279 -13.502 4.032 1.00 0.32 H new ATOM 0 HB3 ASP A 94 7.080 -12.501 2.838 1.00 0.32 H new ATOM 1055 N PHE A 95 8.630 -9.917 5.326 1.00 0.23 N ATOM 1056 CA PHE A 95 9.465 -8.753 5.060 1.00 0.24 C ATOM 1057 C PHE A 95 10.570 -9.082 4.068 1.00 0.23 C ATOM 1058 O PHE A 95 11.122 -8.196 3.417 1.00 0.28 O ATOM 1059 CB PHE A 95 10.076 -8.220 6.358 1.00 0.29 C ATOM 1060 CG PHE A 95 9.074 -7.579 7.274 1.00 0.37 C ATOM 1061 CD1 PHE A 95 8.310 -8.346 8.138 1.00 0.41 C ATOM 1062 CD2 PHE A 95 8.898 -6.206 7.268 1.00 0.55 C ATOM 1063 CE1 PHE A 95 7.387 -7.755 8.979 1.00 0.52 C ATOM 1064 CE2 PHE A 95 7.977 -5.610 8.106 1.00 0.66 C ATOM 1065 CZ PHE A 95 7.220 -6.385 8.963 1.00 0.61 C ATOM 0 H PHE A 95 8.591 -10.188 6.309 1.00 0.23 H new ATOM 0 HA PHE A 95 8.828 -7.984 4.624 1.00 0.24 H new ATOM 0 HB2 PHE A 95 10.564 -9.041 6.884 1.00 0.29 H new ATOM 0 HB3 PHE A 95 10.850 -7.493 6.114 1.00 0.29 H new ATOM 0 HD1 PHE A 95 8.437 -9.418 8.154 1.00 0.41 H new ATOM 0 HD2 PHE A 95 9.487 -5.595 6.601 1.00 0.55 H new ATOM 0 HE1 PHE A 95 6.797 -8.364 9.648 1.00 0.52 H new ATOM 0 HE2 PHE A 95 7.848 -4.538 8.092 1.00 0.66 H new ATOM 0 HZ PHE A 95 6.499 -5.920 9.619 1.00 0.61 H new ATOM 1075 N GLN A 96 10.879 -10.362 3.955 1.00 0.21 N ATOM 1076 CA GLN A 96 11.937 -10.806 3.068 1.00 0.24 C ATOM 1077 C GLN A 96 11.410 -11.083 1.669 1.00 0.21 C ATOM 1078 O GLN A 96 12.171 -11.054 0.700 1.00 0.25 O ATOM 1079 CB GLN A 96 12.639 -12.036 3.629 1.00 0.33 C ATOM 1080 CG GLN A 96 13.358 -11.768 4.942 1.00 1.06 C ATOM 1081 CD GLN A 96 14.312 -10.583 4.865 1.00 1.50 C ATOM 1082 OE1 GLN A 96 14.945 -10.387 3.713 1.00 2.08 O flip ATOM 1083 NE2 GLN A 96 14.496 -9.862 5.845 1.00 1.93 N flip ATOM 0 H GLN A 96 10.412 -11.111 4.466 1.00 0.21 H new ATOM 0 HA GLN A 96 12.665 -9.998 2.997 1.00 0.24 H new ATOM 0 HB2 GLN A 96 11.906 -12.828 3.779 1.00 0.33 H new ATOM 0 HB3 GLN A 96 13.358 -12.402 2.896 1.00 0.33 H new ATOM 0 HG2 GLN A 96 12.620 -11.584 5.723 1.00 1.06 H new ATOM 0 HG3 GLN A 96 13.915 -12.658 5.233 1.00 1.06 H new ATOM 0 HE21 GLN A 96 13.992 -10.043 6.713 1.00 1.93 H new ATOM 0 HE22 GLN A 96 15.153 -9.083 5.789 1.00 1.93 H new ATOM 1092 N LYS A 97 10.115 -11.353 1.551 1.00 0.18 N ATOM 1093 CA LYS A 97 9.491 -11.446 0.243 1.00 0.19 C ATOM 1094 C LYS A 97 9.297 -10.030 -0.257 1.00 0.17 C ATOM 1095 O LYS A 97 9.328 -9.754 -1.452 1.00 0.20 O ATOM 1096 CB LYS A 97 8.141 -12.172 0.327 1.00 0.23 C ATOM 1097 CG LYS A 97 7.839 -13.070 -0.868 1.00 0.26 C ATOM 1098 CD LYS A 97 7.543 -12.280 -2.136 1.00 0.25 C ATOM 1099 CE LYS A 97 7.253 -13.209 -3.308 1.00 0.38 C ATOM 1100 NZ LYS A 97 6.161 -14.179 -3.003 1.00 1.43 N ATOM 0 H LYS A 97 9.485 -11.509 2.338 1.00 0.18 H new ATOM 0 HA LYS A 97 10.120 -12.019 -0.438 1.00 0.19 H new ATOM 0 HB2 LYS A 97 8.121 -12.775 1.235 1.00 0.23 H new ATOM 0 HB3 LYS A 97 7.347 -11.430 0.420 1.00 0.23 H new ATOM 0 HG2 LYS A 97 8.688 -13.730 -1.046 1.00 0.26 H new ATOM 0 HG3 LYS A 97 6.985 -13.706 -0.633 1.00 0.26 H new ATOM 0 HD2 LYS A 97 6.689 -11.624 -1.968 1.00 0.25 H new ATOM 0 HD3 LYS A 97 8.393 -11.641 -2.376 1.00 0.25 H new ATOM 0 HE2 LYS A 97 6.976 -12.616 -4.180 1.00 0.38 H new ATOM 0 HE3 LYS A 97 8.159 -13.755 -3.569 1.00 0.38 H new ATOM 0 HZ1 LYS A 97 5.623 -14.381 -3.870 1.00 1.43 H new ATOM 0 HZ2 LYS A 97 6.573 -15.061 -2.638 1.00 1.43 H new ATOM 0 HZ3 LYS A 97 5.525 -13.772 -2.288 1.00 1.43 H new ATOM 1114 N PHE A 98 9.155 -9.130 0.709 1.00 0.16 N ATOM 1115 CA PHE A 98 9.031 -7.708 0.454 1.00 0.16 C ATOM 1116 C PHE A 98 10.408 -7.073 0.284 1.00 0.20 C ATOM 1117 O PHE A 98 10.608 -5.893 0.580 1.00 0.22 O ATOM 1118 CB PHE A 98 8.280 -7.037 1.597 1.00 0.15 C ATOM 1119 CG PHE A 98 6.797 -7.100 1.434 1.00 0.11 C ATOM 1120 CD1 PHE A 98 6.104 -6.109 0.760 1.00 0.11 C ATOM 1121 CD2 PHE A 98 6.091 -8.158 1.972 1.00 0.13 C ATOM 1122 CE1 PHE A 98 4.736 -6.179 0.630 1.00 0.11 C ATOM 1123 CE2 PHE A 98 4.726 -8.236 1.839 1.00 0.13 C ATOM 1124 CZ PHE A 98 4.052 -7.190 1.098 1.00 0.12 C ATOM 0 H PHE A 98 9.123 -9.374 1.699 1.00 0.16 H new ATOM 0 HA PHE A 98 8.470 -7.567 -0.470 1.00 0.16 H new ATOM 0 HB2 PHE A 98 8.558 -7.514 2.537 1.00 0.15 H new ATOM 0 HB3 PHE A 98 8.589 -5.994 1.665 1.00 0.15 H new ATOM 0 HD1 PHE A 98 6.641 -5.275 0.333 1.00 0.11 H new ATOM 0 HD2 PHE A 98 6.619 -8.935 2.505 1.00 0.13 H new ATOM 0 HE1 PHE A 98 4.214 -5.378 0.128 1.00 0.11 H new ATOM 0 HE2 PHE A 98 4.171 -9.054 2.275 1.00 0.13 H new ATOM 0 HZ PHE A 98 2.986 -7.245 0.932 1.00 0.12 H new ATOM 1134 N CYS A 99 11.352 -7.872 -0.184 1.00 0.26 N ATOM 1135 CA CYS A 99 12.709 -7.417 -0.402 1.00 0.31 C ATOM 1136 C CYS A 99 12.780 -6.568 -1.664 1.00 0.23 C ATOM 1137 O CYS A 99 13.189 -7.043 -2.728 1.00 0.27 O ATOM 1138 CB CYS A 99 13.623 -8.631 -0.549 1.00 0.45 C ATOM 1139 SG CYS A 99 15.393 -8.260 -0.528 1.00 1.20 S ATOM 0 H CYS A 99 11.197 -8.852 -0.422 1.00 0.26 H new ATOM 0 HA CYS A 99 13.029 -6.812 0.447 1.00 0.31 H new ATOM 0 HB2 CYS A 99 13.404 -9.332 0.257 1.00 0.45 H new ATOM 0 HB3 CYS A 99 13.384 -9.136 -1.485 1.00 0.45 H new ATOM 0 HG CYS A 99 15.643 -7.390 0.405 1.00 1.20 H new ATOM 1145 N MET A 100 12.363 -5.322 -1.549 1.00 0.19 N ATOM 1146 CA MET A 100 12.485 -4.384 -2.643 1.00 0.16 C ATOM 1147 C MET A 100 13.231 -3.147 -2.228 1.00 0.17 C ATOM 1148 O MET A 100 12.977 -2.575 -1.172 1.00 0.20 O ATOM 1149 CB MET A 100 11.119 -3.934 -3.179 1.00 0.22 C ATOM 1150 CG MET A 100 10.384 -4.973 -3.996 1.00 0.22 C ATOM 1151 SD MET A 100 9.540 -6.191 -2.976 1.00 0.13 S ATOM 1152 CE MET A 100 8.389 -5.147 -2.084 1.00 0.18 C ATOM 0 H MET A 100 11.936 -4.937 -0.706 1.00 0.19 H new ATOM 0 HA MET A 100 13.030 -4.917 -3.422 1.00 0.16 H new ATOM 0 HB2 MET A 100 10.491 -3.644 -2.336 1.00 0.22 H new ATOM 0 HB3 MET A 100 11.260 -3.044 -3.792 1.00 0.22 H new ATOM 0 HG2 MET A 100 9.656 -4.476 -4.638 1.00 0.22 H new ATOM 0 HG3 MET A 100 11.092 -5.481 -4.651 1.00 0.22 H new ATOM 0 HE1 MET A 100 8.677 -5.103 -1.034 1.00 0.18 H new ATOM 0 HE2 MET A 100 8.405 -4.143 -2.508 1.00 0.18 H new ATOM 0 HE3 MET A 100 7.384 -5.560 -2.167 1.00 0.18 H new ATOM 1162 N SER A 101 14.152 -2.746 -3.066 1.00 0.16 N ATOM 1163 CA SER A 101 14.563 -1.372 -3.091 1.00 0.18 C ATOM 1164 C SER A 101 13.471 -0.666 -3.868 1.00 0.14 C ATOM 1165 O SER A 101 12.761 -1.327 -4.615 1.00 0.15 O ATOM 1166 CB SER A 101 15.923 -1.210 -3.774 1.00 0.24 C ATOM 1167 OG SER A 101 16.885 -2.073 -3.196 1.00 1.26 O ATOM 0 H SER A 101 14.628 -3.350 -3.736 1.00 0.16 H new ATOM 0 HA SER A 101 14.689 -0.961 -2.089 1.00 0.18 H new ATOM 0 HB2 SER A 101 15.828 -1.426 -4.838 1.00 0.24 H new ATOM 0 HB3 SER A 101 16.257 -0.176 -3.687 1.00 0.24 H new ATOM 0 HG SER A 101 17.746 -1.954 -3.649 1.00 1.26 H new ATOM 1173 N GLY A 102 13.284 0.615 -3.689 1.00 0.13 N ATOM 1174 CA GLY A 102 12.170 1.282 -4.320 1.00 0.14 C ATOM 1175 C GLY A 102 12.081 1.047 -5.818 1.00 0.14 C ATOM 1176 O GLY A 102 10.983 0.881 -6.354 1.00 0.16 O ATOM 0 H GLY A 102 13.880 1.214 -3.118 1.00 0.13 H new ATOM 0 HA2 GLY A 102 11.245 0.944 -3.853 1.00 0.14 H new ATOM 0 HA3 GLY A 102 12.248 2.353 -4.134 1.00 0.14 H new ATOM 1180 N ALA A 103 13.225 1.038 -6.497 1.00 0.17 N ATOM 1181 CA ALA A 103 13.261 0.724 -7.919 1.00 0.21 C ATOM 1182 C ALA A 103 12.636 -0.639 -8.172 1.00 0.21 C ATOM 1183 O ALA A 103 11.869 -0.827 -9.117 1.00 0.25 O ATOM 1184 CB ALA A 103 14.694 0.762 -8.428 1.00 0.26 C ATOM 0 H ALA A 103 14.135 1.244 -6.086 1.00 0.17 H new ATOM 0 HA ALA A 103 12.683 1.472 -8.461 1.00 0.21 H new ATOM 0 HB1 ALA A 103 14.709 0.526 -9.492 1.00 0.26 H new ATOM 0 HB2 ALA A 103 15.109 1.758 -8.272 1.00 0.26 H new ATOM 0 HB3 ALA A 103 15.292 0.030 -7.886 1.00 0.26 H new ATOM 1190 N ALA A 104 12.952 -1.576 -7.292 1.00 0.19 N ATOM 1191 CA ALA A 104 12.389 -2.910 -7.345 1.00 0.20 C ATOM 1192 C ALA A 104 10.917 -2.871 -6.960 1.00 0.16 C ATOM 1193 O ALA A 104 10.091 -3.529 -7.593 1.00 0.17 O ATOM 1194 CB ALA A 104 13.160 -3.842 -6.424 1.00 0.22 C ATOM 0 H ALA A 104 13.606 -1.430 -6.523 1.00 0.19 H new ATOM 0 HA ALA A 104 12.470 -3.289 -8.364 1.00 0.20 H new ATOM 0 HB1 ALA A 104 12.727 -4.841 -6.473 1.00 0.22 H new ATOM 0 HB2 ALA A 104 14.203 -3.882 -6.738 1.00 0.22 H new ATOM 0 HB3 ALA A 104 13.103 -3.471 -5.401 1.00 0.22 H new ATOM 1200 N LEU A 105 10.596 -2.104 -5.909 1.00 0.12 N ATOM 1201 CA LEU A 105 9.220 -1.896 -5.472 1.00 0.09 C ATOM 1202 C LEU A 105 8.296 -1.543 -6.619 1.00 0.12 C ATOM 1203 O LEU A 105 7.205 -2.054 -6.739 1.00 0.13 O ATOM 1204 CB LEU A 105 9.157 -0.765 -4.438 1.00 0.09 C ATOM 1205 CG LEU A 105 7.762 -0.545 -3.880 1.00 0.11 C ATOM 1206 CD1 LEU A 105 7.297 -1.766 -3.113 1.00 0.11 C ATOM 1207 CD2 LEU A 105 7.713 0.675 -3.002 1.00 0.14 C ATOM 0 H LEU A 105 11.287 -1.613 -5.342 1.00 0.12 H new ATOM 0 HA LEU A 105 8.887 -2.838 -5.036 1.00 0.09 H new ATOM 0 HB2 LEU A 105 9.838 -0.992 -3.618 1.00 0.09 H new ATOM 0 HB3 LEU A 105 9.508 0.159 -4.897 1.00 0.09 H new ATOM 0 HG LEU A 105 7.088 -0.383 -4.721 1.00 0.11 H new ATOM 0 HD11 LEU A 105 6.295 -1.590 -2.721 1.00 0.11 H new ATOM 0 HD12 LEU A 105 7.279 -2.629 -3.779 1.00 0.11 H new ATOM 0 HD13 LEU A 105 7.981 -1.959 -2.287 1.00 0.11 H new ATOM 0 HD21 LEU A 105 6.702 0.806 -2.618 1.00 0.14 H new ATOM 0 HD22 LEU A 105 8.405 0.552 -2.169 1.00 0.14 H new ATOM 0 HD23 LEU A 105 7.997 1.553 -3.583 1.00 0.14 H new ATOM 1219 N CYS A 106 8.713 -0.590 -7.388 1.00 0.21 N ATOM 1220 CA CYS A 106 7.992 -0.194 -8.574 1.00 0.31 C ATOM 1221 C CYS A 106 7.999 -1.283 -9.650 1.00 0.34 C ATOM 1222 O CYS A 106 6.944 -1.644 -10.179 1.00 0.40 O ATOM 1223 CB CYS A 106 8.613 1.081 -9.105 1.00 0.39 C ATOM 1224 SG CYS A 106 7.915 1.680 -10.661 1.00 0.74 S ATOM 0 H CYS A 106 9.566 -0.057 -7.218 1.00 0.21 H new ATOM 0 HA CYS A 106 6.947 -0.030 -8.309 1.00 0.31 H new ATOM 0 HB2 CYS A 106 8.505 1.861 -8.352 1.00 0.39 H new ATOM 0 HB3 CYS A 106 9.682 0.917 -9.243 1.00 0.39 H new ATOM 0 HG CYS A 106 8.521 2.774 -11.016 1.00 0.74 H new ATOM 1230 N ALA A 107 9.186 -1.793 -9.972 1.00 0.33 N ATOM 1231 CA ALA A 107 9.368 -2.723 -11.086 1.00 0.41 C ATOM 1232 C ALA A 107 8.538 -4.002 -10.977 1.00 0.38 C ATOM 1233 O ALA A 107 8.244 -4.617 -12.000 1.00 0.46 O ATOM 1234 CB ALA A 107 10.839 -3.078 -11.223 1.00 0.47 C ATOM 0 H ALA A 107 10.047 -1.574 -9.470 1.00 0.33 H new ATOM 0 HA ALA A 107 9.008 -2.203 -11.974 1.00 0.41 H new ATOM 0 HB1 ALA A 107 10.970 -3.771 -12.054 1.00 0.47 H new ATOM 0 HB2 ALA A 107 11.416 -2.172 -11.411 1.00 0.47 H new ATOM 0 HB3 ALA A 107 11.188 -3.546 -10.302 1.00 0.47 H new ATOM 1240 N LEU A 108 8.180 -4.425 -9.765 1.00 0.29 N ATOM 1241 CA LEU A 108 7.426 -5.670 -9.599 1.00 0.26 C ATOM 1242 C LEU A 108 6.095 -5.658 -10.359 1.00 0.26 C ATOM 1243 O LEU A 108 5.733 -6.650 -10.997 1.00 0.28 O ATOM 1244 CB LEU A 108 7.205 -6.017 -8.104 1.00 0.21 C ATOM 1245 CG LEU A 108 6.928 -4.852 -7.141 1.00 0.18 C ATOM 1246 CD1 LEU A 108 5.554 -4.216 -7.369 1.00 0.21 C ATOM 1247 CD2 LEU A 108 7.069 -5.337 -5.706 1.00 0.19 C ATOM 0 H LEU A 108 8.395 -3.935 -8.897 1.00 0.29 H new ATOM 0 HA LEU A 108 8.041 -6.455 -10.039 1.00 0.26 H new ATOM 0 HB2 LEU A 108 6.369 -6.713 -8.040 1.00 0.21 H new ATOM 0 HB3 LEU A 108 8.088 -6.546 -7.747 1.00 0.21 H new ATOM 0 HG LEU A 108 7.664 -4.072 -7.339 1.00 0.18 H new ATOM 0 HD11 LEU A 108 5.410 -3.399 -6.662 1.00 0.21 H new ATOM 0 HD12 LEU A 108 5.496 -3.830 -8.387 1.00 0.21 H new ATOM 0 HD13 LEU A 108 4.777 -4.966 -7.220 1.00 0.21 H new ATOM 0 HD21 LEU A 108 6.873 -4.511 -5.022 1.00 0.19 H new ATOM 0 HD22 LEU A 108 6.354 -6.139 -5.521 1.00 0.19 H new ATOM 0 HD23 LEU A 108 8.081 -5.709 -5.545 1.00 0.19 H new ATOM 1259 N GLY A 109 5.386 -4.535 -10.319 1.00 0.27 N ATOM 1260 CA GLY A 109 4.042 -4.495 -10.866 1.00 0.32 C ATOM 1261 C GLY A 109 3.069 -5.214 -9.951 1.00 0.27 C ATOM 1262 O GLY A 109 3.481 -6.076 -9.171 1.00 0.23 O ATOM 0 H GLY A 109 5.715 -3.656 -9.920 1.00 0.27 H new ATOM 0 HA2 GLY A 109 3.728 -3.459 -10.997 1.00 0.32 H new ATOM 0 HA3 GLY A 109 4.032 -4.959 -11.852 1.00 0.32 H new ATOM 1266 N LYS A 110 1.791 -4.860 -10.008 1.00 0.33 N ATOM 1267 CA LYS A 110 0.808 -5.481 -9.127 1.00 0.36 C ATOM 1268 C LYS A 110 0.836 -7.004 -9.259 1.00 0.26 C ATOM 1269 O LYS A 110 0.701 -7.707 -8.265 1.00 0.30 O ATOM 1270 CB LYS A 110 -0.605 -4.918 -9.366 1.00 0.56 C ATOM 1271 CG LYS A 110 -1.432 -5.633 -10.426 1.00 0.63 C ATOM 1272 CD LYS A 110 -2.571 -6.427 -9.801 1.00 0.42 C ATOM 1273 CE LYS A 110 -2.267 -7.925 -9.720 1.00 0.39 C ATOM 1274 NZ LYS A 110 -2.363 -8.585 -11.048 1.00 0.67 N ATOM 0 H LYS A 110 1.414 -4.157 -10.644 1.00 0.33 H new ATOM 0 HA LYS A 110 1.082 -5.233 -8.102 1.00 0.36 H new ATOM 0 HB2 LYS A 110 -1.152 -4.948 -8.424 1.00 0.56 H new ATOM 0 HB3 LYS A 110 -0.515 -3.869 -9.649 1.00 0.56 H new ATOM 0 HG2 LYS A 110 -1.837 -4.903 -11.127 1.00 0.63 H new ATOM 0 HG3 LYS A 110 -0.791 -6.303 -10.999 1.00 0.63 H new ATOM 0 HD2 LYS A 110 -2.769 -6.045 -8.799 1.00 0.42 H new ATOM 0 HD3 LYS A 110 -3.479 -6.275 -10.385 1.00 0.42 H new ATOM 0 HE2 LYS A 110 -1.266 -8.070 -9.314 1.00 0.39 H new ATOM 0 HE3 LYS A 110 -2.963 -8.399 -9.028 1.00 0.39 H new ATOM 0 HZ1 LYS A 110 -2.150 -9.598 -10.948 1.00 0.67 H new ATOM 0 HZ2 LYS A 110 -3.325 -8.469 -11.425 1.00 0.67 H new ATOM 0 HZ3 LYS A 110 -1.681 -8.150 -11.702 1.00 0.67 H new ATOM 1288 N GLU A 111 1.019 -7.515 -10.479 1.00 0.25 N ATOM 1289 CA GLU A 111 1.115 -8.957 -10.702 1.00 0.31 C ATOM 1290 C GLU A 111 2.101 -9.613 -9.740 1.00 0.27 C ATOM 1291 O GLU A 111 1.784 -10.613 -9.106 1.00 0.39 O ATOM 1292 CB GLU A 111 1.515 -9.262 -12.150 1.00 0.48 C ATOM 1293 CG GLU A 111 2.687 -8.438 -12.665 1.00 1.39 C ATOM 1294 CD GLU A 111 2.249 -7.192 -13.409 1.00 1.95 C ATOM 1295 OE1 GLU A 111 1.514 -6.367 -12.829 1.00 2.54 O ATOM 1296 OE2 GLU A 111 2.623 -7.043 -14.587 1.00 2.46 O ATOM 0 H GLU A 111 1.103 -6.952 -11.325 1.00 0.25 H new ATOM 0 HA GLU A 111 0.127 -9.376 -10.512 1.00 0.31 H new ATOM 0 HB2 GLU A 111 1.767 -10.319 -12.229 1.00 0.48 H new ATOM 0 HB3 GLU A 111 0.654 -9.090 -12.796 1.00 0.48 H new ATOM 0 HG2 GLU A 111 3.319 -8.150 -11.825 1.00 1.39 H new ATOM 0 HG3 GLU A 111 3.296 -9.055 -13.326 1.00 1.39 H new ATOM 1303 N CYS A 112 3.288 -9.037 -9.625 1.00 0.21 N ATOM 1304 CA CYS A 112 4.293 -9.570 -8.728 1.00 0.18 C ATOM 1305 C CYS A 112 3.955 -9.210 -7.288 1.00 0.15 C ATOM 1306 O CYS A 112 3.911 -10.081 -6.433 1.00 0.17 O ATOM 1307 CB CYS A 112 5.686 -9.055 -9.102 1.00 0.21 C ATOM 1308 SG CYS A 112 7.017 -9.645 -8.029 1.00 1.36 S ATOM 0 H CYS A 112 3.575 -8.205 -10.140 1.00 0.21 H new ATOM 0 HA CYS A 112 4.300 -10.656 -8.823 1.00 0.18 H new ATOM 0 HB2 CYS A 112 5.905 -9.351 -10.128 1.00 0.21 H new ATOM 0 HB3 CYS A 112 5.675 -7.965 -9.080 1.00 0.21 H new ATOM 0 HG CYS A 112 8.150 -9.153 -8.433 1.00 1.36 H new ATOM 1314 N PHE A 113 3.684 -7.927 -7.035 1.00 0.13 N ATOM 1315 CA PHE A 113 3.397 -7.445 -5.685 1.00 0.12 C ATOM 1316 C PHE A 113 2.271 -8.235 -5.000 1.00 0.13 C ATOM 1317 O PHE A 113 2.385 -8.605 -3.833 1.00 0.14 O ATOM 1318 CB PHE A 113 3.043 -5.948 -5.709 1.00 0.12 C ATOM 1319 CG PHE A 113 3.304 -5.265 -4.395 1.00 0.10 C ATOM 1320 CD1 PHE A 113 2.512 -5.519 -3.279 1.00 0.11 C ATOM 1321 CD2 PHE A 113 4.321 -4.336 -4.286 1.00 0.11 C ATOM 1322 CE1 PHE A 113 2.744 -4.858 -2.095 1.00 0.12 C ATOM 1323 CE2 PHE A 113 4.547 -3.671 -3.105 1.00 0.13 C ATOM 1324 CZ PHE A 113 3.814 -4.083 -1.941 1.00 0.10 C ATOM 0 H PHE A 113 3.658 -7.202 -7.752 1.00 0.13 H new ATOM 0 HA PHE A 113 4.305 -7.598 -5.101 1.00 0.12 H new ATOM 0 HB2 PHE A 113 3.622 -5.455 -6.490 1.00 0.12 H new ATOM 0 HB3 PHE A 113 1.991 -5.832 -5.970 1.00 0.12 H new ATOM 0 HD1 PHE A 113 1.710 -6.240 -3.343 1.00 0.11 H new ATOM 0 HD2 PHE A 113 4.947 -4.130 -5.141 1.00 0.11 H new ATOM 0 HE1 PHE A 113 2.047 -4.970 -1.278 1.00 0.12 H new ATOM 0 HE2 PHE A 113 5.258 -2.859 -3.054 1.00 0.13 H new ATOM 0 HZ PHE A 113 4.127 -3.769 -0.956 1.00 0.10 H new ATOM 1334 N LEU A 114 1.185 -8.490 -5.701 1.00 0.14 N ATOM 1335 CA LEU A 114 0.044 -9.139 -5.059 1.00 0.17 C ATOM 1336 C LEU A 114 0.301 -10.627 -4.910 1.00 0.22 C ATOM 1337 O LEU A 114 -0.345 -11.307 -4.122 1.00 0.27 O ATOM 1338 CB LEU A 114 -1.262 -8.893 -5.806 1.00 0.19 C ATOM 1339 CG LEU A 114 -1.441 -7.497 -6.404 1.00 0.24 C ATOM 1340 CD1 LEU A 114 -2.909 -7.185 -6.564 1.00 0.54 C ATOM 1341 CD2 LEU A 114 -0.777 -6.417 -5.577 1.00 0.50 C ATOM 0 H LEU A 114 1.062 -8.268 -6.689 1.00 0.14 H new ATOM 0 HA LEU A 114 -0.067 -8.693 -4.071 1.00 0.17 H new ATOM 0 HB2 LEU A 114 -1.340 -9.624 -6.611 1.00 0.19 H new ATOM 0 HB3 LEU A 114 -2.090 -9.082 -5.122 1.00 0.19 H new ATOM 0 HG LEU A 114 -0.952 -7.506 -7.378 1.00 0.24 H new ATOM 0 HD11 LEU A 114 -3.025 -6.189 -6.991 1.00 0.54 H new ATOM 0 HD12 LEU A 114 -3.367 -7.919 -7.227 1.00 0.54 H new ATOM 0 HD13 LEU A 114 -3.397 -7.222 -5.590 1.00 0.54 H new ATOM 0 HD21 LEU A 114 -0.937 -5.448 -6.049 1.00 0.50 H new ATOM 0 HD22 LEU A 114 -1.208 -6.409 -4.576 1.00 0.50 H new ATOM 0 HD23 LEU A 114 0.293 -6.616 -5.510 1.00 0.50 H new ATOM 1353 N GLU A 115 1.241 -11.124 -5.695 1.00 0.22 N ATOM 1354 CA GLU A 115 1.746 -12.472 -5.520 1.00 0.28 C ATOM 1355 C GLU A 115 2.857 -12.471 -4.475 1.00 0.27 C ATOM 1356 O GLU A 115 3.303 -13.513 -3.995 1.00 0.37 O ATOM 1357 CB GLU A 115 2.284 -13.015 -6.835 1.00 0.37 C ATOM 1358 CG GLU A 115 1.196 -13.336 -7.841 1.00 0.48 C ATOM 1359 CD GLU A 115 0.383 -14.546 -7.441 1.00 1.33 C ATOM 1360 OE1 GLU A 115 0.896 -15.677 -7.572 1.00 1.81 O ATOM 1361 OE2 GLU A 115 -0.769 -14.372 -6.993 1.00 2.21 O ATOM 0 H GLU A 115 1.671 -10.610 -6.464 1.00 0.22 H new ATOM 0 HA GLU A 115 0.928 -13.111 -5.186 1.00 0.28 H new ATOM 0 HB2 GLU A 115 2.967 -12.285 -7.269 1.00 0.37 H new ATOM 0 HB3 GLU A 115 2.864 -13.916 -6.638 1.00 0.37 H new ATOM 0 HG2 GLU A 115 0.535 -12.475 -7.945 1.00 0.48 H new ATOM 0 HG3 GLU A 115 1.647 -13.511 -8.818 1.00 0.48 H new ATOM 1368 N LEU A 116 3.284 -11.268 -4.139 1.00 0.20 N ATOM 1369 CA LEU A 116 4.392 -11.041 -3.234 1.00 0.19 C ATOM 1370 C LEU A 116 3.896 -10.953 -1.791 1.00 0.22 C ATOM 1371 O LEU A 116 4.637 -11.218 -0.845 1.00 0.26 O ATOM 1372 CB LEU A 116 5.134 -9.777 -3.692 1.00 0.15 C ATOM 1373 CG LEU A 116 5.767 -8.909 -2.610 1.00 0.13 C ATOM 1374 CD1 LEU A 116 7.083 -8.344 -3.101 1.00 0.20 C ATOM 1375 CD2 LEU A 116 4.838 -7.778 -2.226 1.00 0.16 C ATOM 0 H LEU A 116 2.863 -10.409 -4.493 1.00 0.20 H new ATOM 0 HA LEU A 116 5.092 -11.877 -3.258 1.00 0.19 H new ATOM 0 HB2 LEU A 116 5.919 -10.079 -4.385 1.00 0.15 H new ATOM 0 HB3 LEU A 116 4.433 -9.159 -4.254 1.00 0.15 H new ATOM 0 HG LEU A 116 5.947 -9.529 -1.732 1.00 0.13 H new ATOM 0 HD11 LEU A 116 7.527 -7.726 -2.321 1.00 0.20 H new ATOM 0 HD12 LEU A 116 7.761 -9.161 -3.346 1.00 0.20 H new ATOM 0 HD13 LEU A 116 6.910 -7.738 -3.990 1.00 0.20 H new ATOM 0 HD21 LEU A 116 5.306 -7.169 -1.453 1.00 0.16 H new ATOM 0 HD22 LEU A 116 4.635 -7.160 -3.101 1.00 0.16 H new ATOM 0 HD23 LEU A 116 3.902 -8.189 -1.847 1.00 0.16 H new ATOM 1387 N ALA A 117 2.629 -10.610 -1.639 1.00 0.21 N ATOM 1388 CA ALA A 117 1.969 -10.617 -0.339 1.00 0.22 C ATOM 1389 C ALA A 117 0.653 -11.374 -0.459 1.00 0.23 C ATOM 1390 O ALA A 117 0.358 -11.908 -1.525 1.00 0.26 O ATOM 1391 CB ALA A 117 1.728 -9.189 0.142 1.00 0.22 C ATOM 0 H ALA A 117 2.027 -10.319 -2.409 1.00 0.21 H new ATOM 0 HA ALA A 117 2.606 -11.113 0.394 1.00 0.22 H new ATOM 0 HB1 ALA A 117 1.235 -9.211 1.114 1.00 0.22 H new ATOM 0 HB2 ALA A 117 2.682 -8.669 0.231 1.00 0.22 H new ATOM 0 HB3 ALA A 117 1.095 -8.666 -0.575 1.00 0.22 H new ATOM 1397 N PRO A 118 -0.138 -11.488 0.620 1.00 0.24 N ATOM 1398 CA PRO A 118 -1.527 -11.918 0.496 1.00 0.25 C ATOM 1399 C PRO A 118 -2.257 -11.084 -0.554 1.00 0.22 C ATOM 1400 O PRO A 118 -2.033 -9.881 -0.667 1.00 0.18 O ATOM 1401 CB PRO A 118 -2.101 -11.650 1.880 1.00 0.28 C ATOM 1402 CG PRO A 118 -0.937 -11.773 2.802 1.00 0.32 C ATOM 1403 CD PRO A 118 0.257 -11.281 2.029 1.00 0.29 C ATOM 0 HA PRO A 118 -1.626 -12.957 0.183 1.00 0.25 H new ATOM 0 HB2 PRO A 118 -2.549 -10.658 1.938 1.00 0.28 H new ATOM 0 HB3 PRO A 118 -2.882 -12.368 2.131 1.00 0.28 H new ATOM 0 HG2 PRO A 118 -1.089 -11.180 3.704 1.00 0.32 H new ATOM 0 HG3 PRO A 118 -0.798 -12.806 3.119 1.00 0.32 H new ATOM 0 HD2 PRO A 118 0.466 -10.232 2.238 1.00 0.29 H new ATOM 0 HD3 PRO A 118 1.157 -11.842 2.280 1.00 0.29 H new ATOM 1411 N ASP A 119 -3.109 -11.745 -1.324 1.00 0.28 N ATOM 1412 CA ASP A 119 -3.788 -11.133 -2.477 1.00 0.32 C ATOM 1413 C ASP A 119 -4.517 -9.825 -2.148 1.00 0.31 C ATOM 1414 O ASP A 119 -4.719 -8.999 -3.039 1.00 0.41 O ATOM 1415 CB ASP A 119 -4.765 -12.127 -3.116 1.00 0.41 C ATOM 1416 CG ASP A 119 -5.809 -12.643 -2.145 1.00 0.81 C ATOM 1417 OD1 ASP A 119 -6.835 -11.961 -1.943 1.00 1.26 O ATOM 1418 OD2 ASP A 119 -5.605 -13.734 -1.575 1.00 0.95 O ATOM 0 H ASP A 119 -3.355 -12.723 -1.174 1.00 0.28 H new ATOM 0 HA ASP A 119 -2.998 -10.877 -3.183 1.00 0.32 H new ATOM 0 HB2 ASP A 119 -5.265 -11.646 -3.956 1.00 0.41 H new ATOM 0 HB3 ASP A 119 -4.204 -12.970 -3.519 1.00 0.41 H new ATOM 1423 N PHE A 120 -4.913 -9.620 -0.892 1.00 0.27 N ATOM 1424 CA PHE A 120 -5.570 -8.378 -0.511 1.00 0.32 C ATOM 1425 C PHE A 120 -4.524 -7.368 -0.085 1.00 0.22 C ATOM 1426 O PHE A 120 -4.606 -6.188 -0.398 1.00 0.22 O ATOM 1427 CB PHE A 120 -6.590 -8.607 0.610 1.00 0.46 C ATOM 1428 CG PHE A 120 -7.388 -7.385 0.978 1.00 0.90 C ATOM 1429 CD1 PHE A 120 -7.772 -6.479 0.001 1.00 1.04 C ATOM 1430 CD2 PHE A 120 -7.758 -7.144 2.293 1.00 1.53 C ATOM 1431 CE1 PHE A 120 -8.509 -5.357 0.328 1.00 1.45 C ATOM 1432 CE2 PHE A 120 -8.495 -6.023 2.624 1.00 1.97 C ATOM 1433 CZ PHE A 120 -8.851 -5.126 1.673 1.00 1.86 C ATOM 0 H PHE A 120 -4.791 -10.290 -0.133 1.00 0.27 H new ATOM 0 HA PHE A 120 -6.116 -7.993 -1.372 1.00 0.32 H new ATOM 0 HB2 PHE A 120 -7.276 -9.397 0.305 1.00 0.46 H new ATOM 0 HB3 PHE A 120 -6.065 -8.965 1.496 1.00 0.46 H new ATOM 0 HD1 PHE A 120 -7.492 -6.652 -1.027 1.00 1.04 H new ATOM 0 HD2 PHE A 120 -7.467 -7.840 3.066 1.00 1.53 H new ATOM 0 HE1 PHE A 120 -8.819 -4.665 -0.441 1.00 1.45 H new ATOM 0 HE2 PHE A 120 -8.790 -5.860 3.650 1.00 1.97 H new ATOM 0 HZ PHE A 120 -9.396 -4.235 1.947 1.00 1.86 H new ATOM 1443 N VAL A 121 -3.511 -7.874 0.592 1.00 0.19 N ATOM 1444 CA VAL A 121 -2.479 -7.062 1.186 1.00 0.17 C ATOM 1445 C VAL A 121 -1.550 -6.505 0.135 1.00 0.15 C ATOM 1446 O VAL A 121 -1.129 -5.354 0.218 1.00 0.14 O ATOM 1447 CB VAL A 121 -1.688 -7.903 2.183 1.00 0.18 C ATOM 1448 CG1 VAL A 121 -0.565 -7.096 2.808 1.00 0.19 C ATOM 1449 CG2 VAL A 121 -2.652 -8.438 3.219 1.00 0.22 C ATOM 0 H VAL A 121 -3.385 -8.875 0.744 1.00 0.19 H new ATOM 0 HA VAL A 121 -2.950 -6.223 1.698 1.00 0.17 H new ATOM 0 HB VAL A 121 -1.211 -8.741 1.674 1.00 0.18 H new ATOM 0 HG11 VAL A 121 -0.018 -7.720 3.514 1.00 0.19 H new ATOM 0 HG12 VAL A 121 0.113 -6.751 2.028 1.00 0.19 H new ATOM 0 HG13 VAL A 121 -0.983 -6.236 3.332 1.00 0.19 H new ATOM 0 HG21 VAL A 121 -2.108 -9.044 3.944 1.00 0.22 H new ATOM 0 HG22 VAL A 121 -3.135 -7.606 3.731 1.00 0.22 H new ATOM 0 HG23 VAL A 121 -3.409 -9.051 2.730 1.00 0.22 H new ATOM 1459 N GLY A 122 -1.224 -7.331 -0.847 1.00 0.17 N ATOM 1460 CA GLY A 122 -0.447 -6.868 -1.962 1.00 0.19 C ATOM 1461 C GLY A 122 -1.095 -5.675 -2.615 1.00 0.16 C ATOM 1462 O GLY A 122 -0.428 -4.697 -2.887 1.00 0.14 O ATOM 0 H GLY A 122 -1.488 -8.316 -0.886 1.00 0.17 H new ATOM 0 HA2 GLY A 122 0.555 -6.603 -1.626 1.00 0.19 H new ATOM 0 HA3 GLY A 122 -0.337 -7.671 -2.691 1.00 0.19 H new ATOM 1466 N ASP A 123 -2.405 -5.755 -2.843 1.00 0.18 N ATOM 1467 CA ASP A 123 -3.144 -4.689 -3.515 1.00 0.19 C ATOM 1468 C ASP A 123 -3.376 -3.531 -2.559 1.00 0.13 C ATOM 1469 O ASP A 123 -3.393 -2.379 -2.968 1.00 0.13 O ATOM 1470 CB ASP A 123 -4.472 -5.218 -4.064 1.00 0.30 C ATOM 1471 CG ASP A 123 -5.243 -4.181 -4.856 1.00 0.57 C ATOM 1472 OD1 ASP A 123 -4.728 -3.713 -5.890 1.00 0.68 O ATOM 1473 OD2 ASP A 123 -6.381 -3.856 -4.465 1.00 1.07 O ATOM 0 H ASP A 123 -2.979 -6.553 -2.570 1.00 0.18 H new ATOM 0 HA ASP A 123 -2.552 -4.329 -4.356 1.00 0.19 H new ATOM 0 HB2 ASP A 123 -4.277 -6.081 -4.700 1.00 0.30 H new ATOM 0 HB3 ASP A 123 -5.088 -5.566 -3.235 1.00 0.30 H new ATOM 1478 N ILE A 124 -3.585 -3.854 -1.289 1.00 0.12 N ATOM 1479 CA ILE A 124 -3.575 -2.852 -0.229 1.00 0.10 C ATOM 1480 C ILE A 124 -2.311 -2.011 -0.302 1.00 0.09 C ATOM 1481 O ILE A 124 -2.358 -0.792 -0.517 1.00 0.10 O ATOM 1482 CB ILE A 124 -3.700 -3.515 1.165 1.00 0.14 C ATOM 1483 CG1 ILE A 124 -5.165 -3.797 1.481 1.00 0.20 C ATOM 1484 CG2 ILE A 124 -3.082 -2.644 2.256 1.00 0.16 C ATOM 1485 CD1 ILE A 124 -5.366 -4.493 2.808 1.00 0.22 C ATOM 0 H ILE A 124 -3.764 -4.805 -0.967 1.00 0.12 H new ATOM 0 HA ILE A 124 -4.437 -2.201 -0.374 1.00 0.10 H new ATOM 0 HB ILE A 124 -3.150 -4.456 1.140 1.00 0.14 H new ATOM 0 HG12 ILE A 124 -5.717 -2.857 1.484 1.00 0.20 H new ATOM 0 HG13 ILE A 124 -5.589 -4.413 0.688 1.00 0.20 H new ATOM 0 HG21 ILE A 124 -3.188 -3.140 3.221 1.00 0.16 H new ATOM 0 HG22 ILE A 124 -2.025 -2.488 2.042 1.00 0.16 H new ATOM 0 HG23 ILE A 124 -3.592 -1.681 2.285 1.00 0.16 H new ATOM 0 HD11 ILE A 124 -6.430 -4.664 2.972 1.00 0.22 H new ATOM 0 HD12 ILE A 124 -4.842 -5.449 2.801 1.00 0.22 H new ATOM 0 HD13 ILE A 124 -4.971 -3.869 3.610 1.00 0.22 H new ATOM 1497 N LEU A 125 -1.190 -2.667 -0.135 1.00 0.08 N ATOM 1498 CA LEU A 125 0.081 -2.020 -0.262 1.00 0.08 C ATOM 1499 C LEU A 125 0.251 -1.431 -1.648 1.00 0.09 C ATOM 1500 O LEU A 125 0.711 -0.311 -1.786 1.00 0.10 O ATOM 1501 CB LEU A 125 1.177 -3.013 0.073 1.00 0.08 C ATOM 1502 CG LEU A 125 1.565 -3.009 1.537 1.00 0.08 C ATOM 1503 CD1 LEU A 125 2.425 -4.210 1.866 1.00 0.09 C ATOM 1504 CD2 LEU A 125 2.298 -1.723 1.852 1.00 0.09 C ATOM 0 H LEU A 125 -1.138 -3.660 0.092 1.00 0.08 H new ATOM 0 HA LEU A 125 0.142 -1.188 0.439 1.00 0.08 H new ATOM 0 HB2 LEU A 125 0.848 -4.014 -0.205 1.00 0.08 H new ATOM 0 HB3 LEU A 125 2.057 -2.788 -0.529 1.00 0.08 H new ATOM 0 HG LEU A 125 0.665 -3.069 2.149 1.00 0.08 H new ATOM 0 HD11 LEU A 125 2.692 -4.188 2.922 1.00 0.09 H new ATOM 0 HD12 LEU A 125 1.871 -5.124 1.651 1.00 0.09 H new ATOM 0 HD13 LEU A 125 3.332 -4.185 1.262 1.00 0.09 H new ATOM 0 HD21 LEU A 125 2.580 -1.714 2.905 1.00 0.09 H new ATOM 0 HD22 LEU A 125 3.194 -1.655 1.235 1.00 0.09 H new ATOM 0 HD23 LEU A 125 1.648 -0.873 1.643 1.00 0.09 H new ATOM 1516 N TRP A 126 -0.185 -2.158 -2.661 1.00 0.09 N ATOM 1517 CA TRP A 126 -0.084 -1.684 -4.029 1.00 0.10 C ATOM 1518 C TRP A 126 -0.860 -0.378 -4.226 1.00 0.11 C ATOM 1519 O TRP A 126 -0.390 0.512 -4.930 1.00 0.14 O ATOM 1520 CB TRP A 126 -0.565 -2.738 -5.030 1.00 0.11 C ATOM 1521 CG TRP A 126 -0.643 -2.178 -6.404 1.00 0.15 C ATOM 1522 CD1 TRP A 126 -1.772 -1.861 -7.089 1.00 0.22 C ATOM 1523 CD2 TRP A 126 0.459 -1.825 -7.240 1.00 0.16 C ATOM 1524 NE1 TRP A 126 -1.440 -1.282 -8.291 1.00 0.25 N ATOM 1525 CE2 TRP A 126 -0.073 -1.264 -8.411 1.00 0.21 C ATOM 1526 CE3 TRP A 126 1.845 -1.920 -7.103 1.00 0.17 C ATOM 1527 CZ2 TRP A 126 0.740 -0.796 -9.440 1.00 0.25 C ATOM 1528 CZ3 TRP A 126 2.648 -1.461 -8.130 1.00 0.22 C ATOM 1529 CH2 TRP A 126 2.092 -0.903 -9.283 1.00 0.25 C ATOM 0 H TRP A 126 -0.612 -3.079 -2.562 1.00 0.09 H new ATOM 0 HA TRP A 126 0.972 -1.491 -4.219 1.00 0.10 H new ATOM 0 HB2 TRP A 126 0.115 -3.590 -5.020 1.00 0.11 H new ATOM 0 HB3 TRP A 126 -1.545 -3.108 -4.729 1.00 0.11 H new ATOM 0 HD1 TRP A 126 -2.779 -2.037 -6.742 1.00 0.22 H new ATOM 0 HE1 TRP A 126 -2.101 -0.924 -8.980 1.00 0.25 H new ATOM 0 HE3 TRP A 126 2.282 -2.344 -6.211 1.00 0.17 H new ATOM 0 HZ2 TRP A 126 0.315 -0.362 -10.333 1.00 0.25 H new ATOM 0 HZ3 TRP A 126 3.722 -1.535 -8.039 1.00 0.22 H new ATOM 0 HH2 TRP A 126 2.745 -0.549 -10.067 1.00 0.25 H new ATOM 1540 N GLU A 127 -2.043 -0.259 -3.620 1.00 0.11 N ATOM 1541 CA GLU A 127 -2.778 0.999 -3.664 1.00 0.12 C ATOM 1542 C GLU A 127 -1.916 2.109 -3.140 1.00 0.12 C ATOM 1543 O GLU A 127 -1.635 3.056 -3.854 1.00 0.14 O ATOM 1544 CB GLU A 127 -4.076 0.956 -2.861 1.00 0.14 C ATOM 1545 CG GLU A 127 -5.315 0.788 -3.724 1.00 0.21 C ATOM 1546 CD GLU A 127 -5.646 1.996 -4.572 1.00 0.75 C ATOM 1547 OE1 GLU A 127 -4.705 2.570 -5.165 1.00 0.84 O ATOM 1548 OE2 GLU A 127 -6.824 2.391 -4.636 1.00 1.43 O ATOM 0 H GLU A 127 -2.504 -1.007 -3.102 1.00 0.11 H new ATOM 0 HA GLU A 127 -3.042 1.173 -4.707 1.00 0.12 H new ATOM 0 HB2 GLU A 127 -4.026 0.134 -2.147 1.00 0.14 H new ATOM 0 HB3 GLU A 127 -4.167 1.875 -2.283 1.00 0.14 H new ATOM 0 HG2 GLU A 127 -5.176 -0.074 -4.377 1.00 0.21 H new ATOM 0 HG3 GLU A 127 -6.166 0.566 -3.080 1.00 0.21 H new ATOM 1555 N HIS A 128 -1.469 1.996 -1.897 1.00 0.11 N ATOM 1556 CA HIS A 128 -0.621 3.040 -1.355 1.00 0.11 C ATOM 1557 C HIS A 128 0.633 3.181 -2.193 1.00 0.10 C ATOM 1558 O HIS A 128 1.123 4.284 -2.343 1.00 0.11 O ATOM 1559 CB HIS A 128 -0.255 2.817 0.114 1.00 0.11 C ATOM 1560 CG HIS A 128 0.251 4.074 0.771 1.00 0.12 C ATOM 1561 ND1 HIS A 128 0.709 4.125 2.069 1.00 0.14 N ATOM 1562 CD2 HIS A 128 0.335 5.342 0.296 1.00 0.14 C ATOM 1563 CE1 HIS A 128 1.046 5.369 2.369 1.00 0.15 C ATOM 1564 NE2 HIS A 128 0.831 6.124 1.311 1.00 0.15 N ATOM 0 H HIS A 128 -1.671 1.220 -1.266 1.00 0.11 H new ATOM 0 HA HIS A 128 -1.198 3.964 -1.394 1.00 0.11 H new ATOM 0 HB2 HIS A 128 -1.130 2.454 0.654 1.00 0.11 H new ATOM 0 HB3 HIS A 128 0.507 2.041 0.183 1.00 0.11 H new ATOM 0 HD1 HIS A 128 0.778 3.327 2.701 1.00 0.14 H new ATOM 0 HD2 HIS A 128 0.063 5.675 -0.695 1.00 0.14 H new ATOM 0 HE1 HIS A 128 1.432 5.708 3.319 1.00 0.15 H new ATOM 1573 N LEU A 129 1.132 2.084 -2.753 1.00 0.10 N ATOM 1574 CA LEU A 129 2.254 2.141 -3.664 1.00 0.12 C ATOM 1575 C LEU A 129 1.936 3.116 -4.765 1.00 0.15 C ATOM 1576 O LEU A 129 2.721 4.018 -5.070 1.00 0.18 O ATOM 1577 CB LEU A 129 2.539 0.747 -4.240 1.00 0.11 C ATOM 1578 CG LEU A 129 3.752 0.656 -5.153 1.00 0.12 C ATOM 1579 CD1 LEU A 129 4.812 1.615 -4.684 1.00 0.15 C ATOM 1580 CD2 LEU A 129 4.312 -0.746 -5.139 1.00 0.13 C ATOM 0 H LEU A 129 0.771 1.145 -2.587 1.00 0.10 H new ATOM 0 HA LEU A 129 3.146 2.474 -3.133 1.00 0.12 H new ATOM 0 HB2 LEU A 129 2.675 0.051 -3.412 1.00 0.11 H new ATOM 0 HB3 LEU A 129 1.662 0.415 -4.795 1.00 0.11 H new ATOM 0 HG LEU A 129 3.446 0.911 -6.168 1.00 0.12 H new ATOM 0 HD11 LEU A 129 5.680 1.547 -5.340 1.00 0.15 H new ATOM 0 HD12 LEU A 129 4.419 2.631 -4.706 1.00 0.15 H new ATOM 0 HD13 LEU A 129 5.107 1.362 -3.666 1.00 0.15 H new ATOM 0 HD21 LEU A 129 5.180 -0.798 -5.797 1.00 0.13 H new ATOM 0 HD22 LEU A 129 4.610 -1.009 -4.124 1.00 0.13 H new ATOM 0 HD23 LEU A 129 3.551 -1.445 -5.487 1.00 0.13 H new ATOM 1592 N GLU A 130 0.760 2.953 -5.321 1.00 0.17 N ATOM 1593 CA GLU A 130 0.282 3.856 -6.322 1.00 0.23 C ATOM 1594 C GLU A 130 0.102 5.247 -5.729 1.00 0.25 C ATOM 1595 O GLU A 130 0.609 6.222 -6.262 1.00 0.37 O ATOM 1596 CB GLU A 130 -1.034 3.333 -6.923 1.00 0.27 C ATOM 1597 CG GLU A 130 -0.861 2.463 -8.157 1.00 0.69 C ATOM 1598 CD GLU A 130 -0.481 3.260 -9.388 1.00 1.22 C ATOM 1599 OE1 GLU A 130 -1.266 4.129 -9.809 1.00 1.73 O ATOM 1600 OE2 GLU A 130 0.617 3.027 -9.939 1.00 1.80 O ATOM 0 H GLU A 130 0.117 2.195 -5.090 1.00 0.17 H new ATOM 0 HA GLU A 130 1.017 3.922 -7.125 1.00 0.23 H new ATOM 0 HB2 GLU A 130 -1.564 2.761 -6.162 1.00 0.27 H new ATOM 0 HB3 GLU A 130 -1.665 4.184 -7.179 1.00 0.27 H new ATOM 0 HG2 GLU A 130 -0.093 1.714 -7.963 1.00 0.69 H new ATOM 0 HG3 GLU A 130 -1.789 1.925 -8.350 1.00 0.69 H new ATOM 1607 N ILE A 131 -0.588 5.321 -4.605 1.00 0.20 N ATOM 1608 CA ILE A 131 -0.868 6.590 -3.930 1.00 0.21 C ATOM 1609 C ILE A 131 0.410 7.410 -3.721 1.00 0.22 C ATOM 1610 O ILE A 131 0.406 8.629 -3.889 1.00 0.27 O ATOM 1611 CB ILE A 131 -1.565 6.338 -2.575 1.00 0.21 C ATOM 1612 CG1 ILE A 131 -3.083 6.174 -2.739 1.00 0.23 C ATOM 1613 CG2 ILE A 131 -1.298 7.470 -1.593 1.00 0.23 C ATOM 1614 CD1 ILE A 131 -3.509 5.204 -3.813 1.00 0.23 C ATOM 0 H ILE A 131 -0.973 4.506 -4.128 1.00 0.20 H new ATOM 0 HA ILE A 131 -1.535 7.165 -4.572 1.00 0.21 H new ATOM 0 HB ILE A 131 -1.146 5.412 -2.182 1.00 0.21 H new ATOM 0 HG12 ILE A 131 -3.502 5.846 -1.788 1.00 0.23 H new ATOM 0 HG13 ILE A 131 -3.517 7.149 -2.959 1.00 0.23 H new ATOM 0 HG21 ILE A 131 -1.803 7.260 -0.650 1.00 0.23 H new ATOM 0 HG22 ILE A 131 -0.225 7.555 -1.419 1.00 0.23 H new ATOM 0 HG23 ILE A 131 -1.674 8.406 -2.006 1.00 0.23 H new ATOM 0 HD11 ILE A 131 -4.597 5.158 -3.851 1.00 0.23 H new ATOM 0 HD12 ILE A 131 -3.126 5.538 -4.777 1.00 0.23 H new ATOM 0 HD13 ILE A 131 -3.112 4.214 -3.588 1.00 0.23 H new ATOM 1626 N LEU A 132 1.500 6.729 -3.366 1.00 0.18 N ATOM 1627 CA LEU A 132 2.788 7.390 -3.172 1.00 0.20 C ATOM 1628 C LEU A 132 3.205 8.111 -4.432 1.00 0.25 C ATOM 1629 O LEU A 132 3.642 9.260 -4.402 1.00 0.29 O ATOM 1630 CB LEU A 132 3.892 6.391 -2.845 1.00 0.21 C ATOM 1631 CG LEU A 132 3.561 5.359 -1.793 1.00 0.21 C ATOM 1632 CD1 LEU A 132 4.418 4.131 -2.015 1.00 0.23 C ATOM 1633 CD2 LEU A 132 3.785 5.904 -0.388 1.00 0.25 C ATOM 0 H LEU A 132 1.515 5.722 -3.207 1.00 0.18 H new ATOM 0 HA LEU A 132 2.657 8.085 -2.343 1.00 0.20 H new ATOM 0 HB2 LEU A 132 4.167 5.870 -3.762 1.00 0.21 H new ATOM 0 HB3 LEU A 132 4.771 6.946 -2.517 1.00 0.21 H new ATOM 0 HG LEU A 132 2.506 5.099 -1.882 1.00 0.21 H new ATOM 0 HD11 LEU A 132 4.184 3.382 -1.258 1.00 0.23 H new ATOM 0 HD12 LEU A 132 4.218 3.722 -3.005 1.00 0.23 H new ATOM 0 HD13 LEU A 132 5.471 4.404 -1.941 1.00 0.23 H new ATOM 0 HD21 LEU A 132 3.537 5.135 0.344 1.00 0.25 H new ATOM 0 HD22 LEU A 132 4.830 6.192 -0.272 1.00 0.25 H new ATOM 0 HD23 LEU A 132 3.149 6.775 -0.230 1.00 0.25 H new ATOM 1645 N GLN A 133 3.053 7.422 -5.543 1.00 0.28 N ATOM 1646 CA GLN A 133 3.491 7.961 -6.806 1.00 0.38 C ATOM 1647 C GLN A 133 2.446 8.927 -7.333 1.00 0.37 C ATOM 1648 O GLN A 133 2.745 9.786 -8.160 1.00 0.47 O ATOM 1649 CB GLN A 133 3.839 6.848 -7.807 1.00 0.58 C ATOM 1650 CG GLN A 133 2.682 5.951 -8.192 1.00 0.79 C ATOM 1651 CD GLN A 133 3.133 4.571 -8.625 1.00 0.65 C ATOM 1652 OE1 GLN A 133 3.398 4.329 -9.802 1.00 1.22 O ATOM 1653 NE2 GLN A 133 3.239 3.663 -7.664 1.00 0.31 N ATOM 0 H GLN A 133 2.632 6.494 -5.594 1.00 0.28 H new ATOM 0 HA GLN A 133 4.416 8.518 -6.658 1.00 0.38 H new ATOM 0 HB2 GLN A 133 4.241 7.305 -8.711 1.00 0.58 H new ATOM 0 HB3 GLN A 133 4.631 6.232 -7.382 1.00 0.58 H new ATOM 0 HG2 GLN A 133 2.002 5.858 -7.345 1.00 0.79 H new ATOM 0 HG3 GLN A 133 2.120 6.416 -9.002 1.00 0.79 H new ATOM 0 HE21 GLN A 133 3.008 3.910 -6.702 1.00 0.31 H new ATOM 0 HE22 GLN A 133 3.551 2.718 -7.887 1.00 0.31 H new