USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 437 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 NoAdj-H: A 319 HIS HD1 : A 319 HIS ND1 : A 501 ZNZN :(H bumps) USER MOD Set 1.1: A 312 CYS SG : rot 14:sc= 0.49 USER MOD Set 1.2: A 324 THR OG1 : rot -38:sc= 0.192 USER MOD Set 2.1: A 300 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 310 LYS NZ :NH3+ -170:sc= 0.781 (180deg=0.611) USER MOD Set 3.1: A 297 SER OG : rot -179:sc= 0.729 USER MOD Set 3.2: A 351 ASN : amide:sc= 1.58 K(o=2.3,f=-5.5!) USER MOD Set 3.3: A 352 SER OG : rot 180:sc= 0 USER MOD Single : A 299 LYS NZ :NH3+ -164:sc= 1.41 (180deg=0.561) USER MOD Single : A 307 SER OG : rot 55:sc= 0.366 USER MOD Single : A 308 SER OG : rot 161:sc= 0.807 USER MOD Single : A 311 SER OG : rot 180:sc= 0 USER MOD Single : A 321 CYS SG : rot 90:sc= -0.523 USER MOD Single : A 322 SER OG : rot 180:sc= 0.169 USER MOD Single : A 327 TYR OH : rot 180:sc= 0 USER MOD Single : A 334 LYS NZ :NH3+ -152:sc= 0.0651 (180deg=0) USER MOD Single : A 335 LYS NZ :NH3+ 137:sc= -0.0713 (180deg=-0.561) USER MOD Single : A 341 GLN : amide:sc= -2.06 K(o=-2.1,f=-8.4!) USER MOD Single : A 344 THR OG1 : rot 180:sc= 0 USER MOD Single : A 350 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 296 17.709 13.491 -22.133 1.00 13.00 N ATOM 2 CA GLY A 296 16.929 13.544 -23.395 1.00 45.03 C ATOM 3 C GLY A 296 15.551 13.061 -23.123 1.00 73.23 C ATOM 4 O GLY A 296 14.560 13.729 -23.426 1.00 42.04 O ATOM 0 HA2 GLY A 296 16.903 14.563 -23.781 1.00 45.03 H new ATOM 0 HA3 GLY A 296 17.402 12.926 -24.158 1.00 45.03 H new ATOM 10 N SER A 297 15.461 11.884 -22.490 1.00 4.31 N ATOM 11 CA SER A 297 14.193 11.312 -22.130 1.00 51.25 C ATOM 12 C SER A 297 14.054 11.557 -20.662 1.00 12.22 C ATOM 13 O SER A 297 14.077 10.618 -19.867 1.00 23.54 O ATOM 14 CB SER A 297 14.135 9.783 -22.377 1.00 64.21 C ATOM 15 OG SER A 297 14.425 9.494 -23.746 1.00 32.31 O ATOM 0 H SER A 297 16.267 11.320 -22.223 1.00 4.31 H new ATOM 0 HA SER A 297 13.402 11.759 -22.732 1.00 51.25 H new ATOM 0 HB2 SER A 297 14.851 9.275 -21.731 1.00 64.21 H new ATOM 0 HB3 SER A 297 13.147 9.403 -22.119 1.00 64.21 H new ATOM 0 HG SER A 297 14.372 8.527 -23.895 1.00 32.31 H new ATOM 21 N LEU A 298 13.940 12.860 -20.282 1.00 35.12 N ATOM 22 CA LEU A 298 13.859 13.296 -18.895 1.00 5.41 C ATOM 23 C LEU A 298 15.229 13.158 -18.298 1.00 43.22 C ATOM 24 O LEU A 298 15.965 14.135 -18.209 1.00 4.21 O ATOM 25 CB LEU A 298 12.811 12.569 -18.001 1.00 35.24 C ATOM 26 CG LEU A 298 11.352 12.771 -18.464 1.00 1.43 C ATOM 27 CD1 LEU A 298 10.733 11.488 -19.037 1.00 72.15 C ATOM 28 CD2 LEU A 298 10.475 13.379 -17.361 1.00 74.34 C ATOM 0 H LEU A 298 13.903 13.629 -20.951 1.00 35.12 H new ATOM 0 HA LEU A 298 13.504 14.326 -18.918 1.00 5.41 H new ATOM 0 HB2 LEU A 298 13.035 11.502 -17.989 1.00 35.24 H new ATOM 0 HB3 LEU A 298 12.910 12.927 -16.976 1.00 35.24 H new ATOM 0 HG LEU A 298 11.389 13.492 -19.280 1.00 1.43 H new ATOM 0 HD11 LEU A 298 9.707 11.686 -19.347 1.00 72.15 H new ATOM 0 HD12 LEU A 298 11.314 11.156 -19.897 1.00 72.15 H new ATOM 0 HD13 LEU A 298 10.737 10.710 -18.274 1.00 72.15 H new ATOM 0 HD21 LEU A 298 9.458 13.503 -17.732 1.00 74.34 H new ATOM 0 HD22 LEU A 298 10.467 12.716 -16.496 1.00 74.34 H new ATOM 0 HD23 LEU A 298 10.876 14.350 -17.071 1.00 74.34 H new ATOM 40 N LYS A 299 15.581 11.922 -17.873 1.00 1.14 N ATOM 41 CA LYS A 299 16.901 11.593 -17.352 1.00 73.23 C ATOM 42 C LYS A 299 17.244 12.464 -16.170 1.00 2.00 C ATOM 43 O LYS A 299 18.294 13.123 -16.153 1.00 0.43 O ATOM 44 CB LYS A 299 18.042 11.689 -18.400 1.00 45.11 C ATOM 45 CG LYS A 299 17.808 10.819 -19.642 1.00 52.34 C ATOM 46 CD LYS A 299 18.201 9.348 -19.457 1.00 21.21 C ATOM 47 CE LYS A 299 17.181 8.381 -20.059 1.00 23.50 C ATOM 48 NZ LYS A 299 15.906 8.453 -19.313 1.00 54.31 N ATOM 0 H LYS A 299 14.941 11.128 -17.888 1.00 1.14 H new ATOM 0 HA LYS A 299 16.833 10.548 -17.051 1.00 73.23 H new ATOM 0 HB2 LYS A 299 18.153 12.728 -18.710 1.00 45.11 H new ATOM 0 HB3 LYS A 299 18.981 11.394 -17.931 1.00 45.11 H new ATOM 0 HG2 LYS A 299 16.754 10.871 -19.916 1.00 52.34 H new ATOM 0 HG3 LYS A 299 18.375 11.234 -20.475 1.00 52.34 H new ATOM 0 HD2 LYS A 299 19.174 9.176 -19.918 1.00 21.21 H new ATOM 0 HD3 LYS A 299 18.311 9.137 -18.393 1.00 21.21 H new ATOM 0 HE2 LYS A 299 17.012 8.626 -21.107 1.00 23.50 H new ATOM 0 HE3 LYS A 299 17.572 7.364 -20.029 1.00 23.50 H new ATOM 0 HZ1 LYS A 299 15.322 7.623 -19.542 1.00 54.31 H new ATOM 0 HZ2 LYS A 299 16.102 8.467 -18.292 1.00 54.31 H new ATOM 0 HZ3 LYS A 299 15.396 9.319 -19.580 1.00 54.31 H new ATOM 62 N SER A 300 16.356 12.492 -15.166 1.00 3.12 N ATOM 63 CA SER A 300 16.619 13.211 -13.943 1.00 12.04 C ATOM 64 C SER A 300 17.297 12.217 -13.029 1.00 55.23 C ATOM 65 O SER A 300 17.586 11.105 -13.440 1.00 3.53 O ATOM 66 CB SER A 300 15.329 13.732 -13.270 1.00 32.21 C ATOM 67 OG SER A 300 14.463 14.309 -14.261 1.00 2.40 O ATOM 0 H SER A 300 15.452 12.020 -15.191 1.00 3.12 H new ATOM 0 HA SER A 300 17.229 14.090 -14.150 1.00 12.04 H new ATOM 0 HB2 SER A 300 14.819 12.915 -12.759 1.00 32.21 H new ATOM 0 HB3 SER A 300 15.577 14.476 -12.513 1.00 32.21 H new ATOM 0 HG SER A 300 13.646 14.636 -13.831 1.00 2.40 H new ATOM 73 N ALA A 301 17.579 12.593 -11.775 1.00 41.01 N ATOM 74 CA ALA A 301 18.277 11.693 -10.864 1.00 13.55 C ATOM 75 C ALA A 301 17.364 10.544 -10.484 1.00 40.31 C ATOM 76 O ALA A 301 16.214 10.742 -10.130 1.00 4.35 O ATOM 77 CB ALA A 301 18.727 12.377 -9.556 1.00 62.14 C ATOM 0 H ALA A 301 17.337 13.501 -11.378 1.00 41.01 H new ATOM 0 HA ALA A 301 19.165 11.353 -11.397 1.00 13.55 H new ATOM 0 HB1 ALA A 301 19.239 11.652 -8.924 1.00 62.14 H new ATOM 0 HB2 ALA A 301 19.405 13.198 -9.789 1.00 62.14 H new ATOM 0 HB3 ALA A 301 17.855 12.765 -9.030 1.00 62.14 H new ATOM 83 N CYS A 302 17.889 9.277 -10.585 1.00 65.22 N ATOM 84 CA CYS A 302 17.169 8.067 -10.129 1.00 52.23 C ATOM 85 C CYS A 302 16.827 8.325 -8.682 1.00 22.22 C ATOM 86 O CYS A 302 17.725 8.386 -7.873 1.00 13.50 O ATOM 87 CB CYS A 302 18.089 6.786 -10.223 1.00 40.05 C ATOM 88 SG CYS A 302 17.377 5.209 -9.569 1.00 41.41 S ATOM 0 H CYS A 302 18.809 9.083 -10.980 1.00 65.22 H new ATOM 0 HA CYS A 302 16.290 7.881 -10.746 1.00 52.23 H new ATOM 0 HB2 CYS A 302 18.354 6.633 -11.269 1.00 40.05 H new ATOM 0 HB3 CYS A 302 19.015 6.991 -9.686 1.00 40.05 H new ATOM 93 N VAL A 303 15.508 8.315 -8.341 1.00 60.23 N ATOM 94 CA VAL A 303 15.023 8.839 -7.049 1.00 1.53 C ATOM 95 C VAL A 303 15.488 7.980 -5.904 1.00 55.21 C ATOM 96 O VAL A 303 15.530 8.420 -4.768 1.00 64.33 O ATOM 97 CB VAL A 303 13.503 8.932 -6.971 1.00 31.35 C ATOM 98 CG1 VAL A 303 13.000 9.817 -8.115 1.00 0.51 C ATOM 99 CG2 VAL A 303 12.875 7.514 -7.015 1.00 21.51 C ATOM 0 H VAL A 303 14.772 7.950 -8.945 1.00 60.23 H new ATOM 0 HA VAL A 303 15.440 9.843 -6.975 1.00 1.53 H new ATOM 0 HB VAL A 303 13.202 9.386 -6.027 1.00 31.35 H new ATOM 0 HG11 VAL A 303 11.913 9.890 -8.068 1.00 0.51 H new ATOM 0 HG12 VAL A 303 13.435 10.812 -8.023 1.00 0.51 H new ATOM 0 HG13 VAL A 303 13.293 9.380 -9.069 1.00 0.51 H new ATOM 0 HG21 VAL A 303 11.789 7.595 -6.959 1.00 21.51 H new ATOM 0 HG22 VAL A 303 13.154 7.021 -7.946 1.00 21.51 H new ATOM 0 HG23 VAL A 303 13.240 6.928 -6.171 1.00 21.51 H new ATOM 109 N VAL A 304 15.867 6.742 -6.196 1.00 52.44 N ATOM 110 CA VAL A 304 16.211 5.829 -5.148 1.00 52.14 C ATOM 111 C VAL A 304 17.682 5.979 -4.809 1.00 61.13 C ATOM 112 O VAL A 304 18.032 6.047 -3.647 1.00 1.01 O ATOM 113 CB VAL A 304 15.924 4.367 -5.520 1.00 44.11 C ATOM 114 CG1 VAL A 304 15.374 3.645 -4.279 1.00 12.12 C ATOM 115 CG2 VAL A 304 14.911 4.324 -6.692 1.00 53.52 C ATOM 0 H VAL A 304 15.939 6.364 -7.141 1.00 52.44 H new ATOM 0 HA VAL A 304 15.589 6.076 -4.288 1.00 52.14 H new ATOM 0 HB VAL A 304 16.835 3.864 -5.844 1.00 44.11 H new ATOM 0 HG11 VAL A 304 15.165 2.604 -4.526 1.00 12.12 H new ATOM 0 HG12 VAL A 304 16.111 3.686 -3.477 1.00 12.12 H new ATOM 0 HG13 VAL A 304 14.455 4.132 -3.952 1.00 12.12 H new ATOM 0 HG21 VAL A 304 14.706 3.287 -6.958 1.00 53.52 H new ATOM 0 HG22 VAL A 304 13.984 4.811 -6.390 1.00 53.52 H new ATOM 0 HG23 VAL A 304 15.330 4.843 -7.554 1.00 53.52 H new ATOM 125 N CYS A 305 18.579 6.047 -5.831 1.00 63.32 N ATOM 126 CA CYS A 305 20.017 6.068 -5.528 1.00 41.05 C ATOM 127 C CYS A 305 20.527 7.501 -5.476 1.00 43.21 C ATOM 128 O CYS A 305 21.277 7.850 -4.592 1.00 62.24 O ATOM 129 CB CYS A 305 20.893 5.189 -6.494 1.00 12.01 C ATOM 130 SG CYS A 305 20.717 5.597 -8.273 1.00 4.10 S ATOM 0 H CYS A 305 18.338 6.086 -6.821 1.00 63.32 H new ATOM 0 HA CYS A 305 20.125 5.608 -4.546 1.00 41.05 H new ATOM 0 HB2 CYS A 305 21.940 5.298 -6.212 1.00 12.01 H new ATOM 0 HB3 CYS A 305 20.631 4.141 -6.348 1.00 12.01 H new ATOM 135 N LEU A 306 20.154 8.328 -6.501 1.00 53.52 N ATOM 136 CA LEU A 306 20.505 9.766 -6.579 1.00 3.23 C ATOM 137 C LEU A 306 21.915 9.876 -7.106 1.00 5.21 C ATOM 138 O LEU A 306 22.635 10.831 -6.812 1.00 41.44 O ATOM 139 CB LEU A 306 20.396 10.607 -5.249 1.00 40.53 C ATOM 140 CG LEU A 306 18.950 10.828 -4.726 1.00 54.35 C ATOM 141 CD1 LEU A 306 17.972 11.277 -5.818 1.00 61.24 C ATOM 142 CD2 LEU A 306 18.414 9.636 -3.917 1.00 13.34 C ATOM 0 H LEU A 306 19.600 8.006 -7.294 1.00 53.52 H new ATOM 0 HA LEU A 306 19.752 10.203 -7.235 1.00 3.23 H new ATOM 0 HB2 LEU A 306 20.974 10.106 -4.472 1.00 40.53 H new ATOM 0 HB3 LEU A 306 20.859 11.580 -5.414 1.00 40.53 H new ATOM 0 HG LEU A 306 19.024 11.662 -4.028 1.00 54.35 H new ATOM 0 HD11 LEU A 306 16.981 11.413 -5.385 1.00 61.24 H new ATOM 0 HD12 LEU A 306 18.313 12.219 -6.247 1.00 61.24 H new ATOM 0 HD13 LEU A 306 17.926 10.518 -6.599 1.00 61.24 H new ATOM 0 HD21 LEU A 306 17.400 9.852 -3.580 1.00 13.34 H new ATOM 0 HD22 LEU A 306 18.406 8.745 -4.544 1.00 13.34 H new ATOM 0 HD23 LEU A 306 19.055 9.465 -3.052 1.00 13.34 H new ATOM 154 N SER A 307 22.336 8.880 -7.899 1.00 32.34 N ATOM 155 CA SER A 307 23.669 8.870 -8.462 1.00 55.11 C ATOM 156 C SER A 307 23.510 8.699 -9.947 1.00 41.01 C ATOM 157 O SER A 307 24.004 9.504 -10.744 1.00 35.33 O ATOM 158 CB SER A 307 24.531 7.701 -7.913 1.00 0.31 C ATOM 159 OG SER A 307 23.705 6.763 -7.200 1.00 34.14 O ATOM 0 H SER A 307 21.763 8.077 -8.157 1.00 32.34 H new ATOM 0 HA SER A 307 24.178 9.797 -8.198 1.00 55.11 H new ATOM 0 HB2 SER A 307 25.039 7.197 -8.736 1.00 0.31 H new ATOM 0 HB3 SER A 307 25.305 8.090 -7.252 1.00 0.31 H new ATOM 0 HG SER A 307 22.975 6.463 -7.781 1.00 34.14 H new ATOM 165 N SER A 308 22.773 7.645 -10.346 1.00 61.13 N ATOM 166 CA SER A 308 22.566 7.373 -11.750 1.00 35.51 C ATOM 167 C SER A 308 21.296 8.057 -12.107 1.00 24.53 C ATOM 168 O SER A 308 20.438 8.292 -11.226 1.00 72.34 O ATOM 169 CB SER A 308 22.402 5.866 -12.086 1.00 4.12 C ATOM 170 OG SER A 308 21.748 5.159 -11.016 1.00 60.11 O ATOM 0 H SER A 308 22.323 6.985 -9.712 1.00 61.13 H new ATOM 0 HA SER A 308 23.441 7.718 -12.301 1.00 35.51 H new ATOM 0 HB2 SER A 308 21.824 5.757 -13.004 1.00 4.12 H new ATOM 0 HB3 SER A 308 23.381 5.424 -12.272 1.00 4.12 H new ATOM 0 HG SER A 308 21.384 4.315 -11.356 1.00 60.11 H new ATOM 176 N PHE A 309 21.119 8.371 -13.393 1.00 52.35 N ATOM 177 CA PHE A 309 19.908 9.016 -13.847 1.00 15.31 C ATOM 178 C PHE A 309 18.811 7.982 -13.875 1.00 53.04 C ATOM 179 O PHE A 309 19.049 6.783 -13.680 1.00 11.05 O ATOM 180 CB PHE A 309 20.030 9.608 -15.274 1.00 5.01 C ATOM 181 CG PHE A 309 21.107 10.649 -15.418 1.00 44.54 C ATOM 182 CD1 PHE A 309 22.298 10.352 -16.054 1.00 3.12 C ATOM 183 CD2 PHE A 309 20.920 11.926 -14.923 1.00 33.21 C ATOM 184 CE1 PHE A 309 23.276 11.309 -16.188 1.00 54.11 C ATOM 185 CE2 PHE A 309 21.902 12.878 -15.058 1.00 40.42 C ATOM 186 CZ PHE A 309 23.076 12.571 -15.691 1.00 60.35 C ATOM 0 H PHE A 309 21.802 8.185 -14.127 1.00 52.35 H new ATOM 0 HA PHE A 309 19.701 9.838 -13.162 1.00 15.31 H new ATOM 0 HB2 PHE A 309 20.227 8.798 -15.976 1.00 5.01 H new ATOM 0 HB3 PHE A 309 19.074 10.049 -15.556 1.00 5.01 H new ATOM 0 HD1 PHE A 309 22.462 9.360 -16.449 1.00 3.12 H new ATOM 0 HD2 PHE A 309 19.995 12.178 -14.426 1.00 33.21 H new ATOM 0 HE1 PHE A 309 24.203 11.066 -16.686 1.00 54.11 H new ATOM 0 HE2 PHE A 309 21.747 13.871 -14.663 1.00 40.42 H new ATOM 0 HZ PHE A 309 23.844 13.322 -15.799 1.00 60.35 H new ATOM 196 N LYS A 310 17.563 8.451 -13.994 1.00 32.30 N ATOM 197 CA LYS A 310 16.442 7.572 -14.132 1.00 34.31 C ATOM 198 C LYS A 310 16.310 7.256 -15.588 1.00 32.34 C ATOM 199 O LYS A 310 16.281 8.147 -16.431 1.00 3.50 O ATOM 200 CB LYS A 310 15.103 8.170 -13.627 1.00 2.30 C ATOM 201 CG LYS A 310 14.846 9.622 -14.062 1.00 31.25 C ATOM 202 CD LYS A 310 13.591 9.773 -14.911 1.00 21.25 C ATOM 203 CE LYS A 310 12.983 11.169 -14.868 1.00 52.41 C ATOM 204 NZ LYS A 310 12.432 11.451 -13.532 1.00 3.02 N ATOM 0 H LYS A 310 17.324 9.443 -13.995 1.00 32.30 H new ATOM 0 HA LYS A 310 16.630 6.692 -13.517 1.00 34.31 H new ATOM 0 HB2 LYS A 310 14.284 7.547 -13.986 1.00 2.30 H new ATOM 0 HB3 LYS A 310 15.087 8.122 -12.538 1.00 2.30 H new ATOM 0 HG2 LYS A 310 14.757 10.251 -13.176 1.00 31.25 H new ATOM 0 HG3 LYS A 310 15.706 9.985 -14.626 1.00 31.25 H new ATOM 0 HD2 LYS A 310 13.831 9.523 -15.945 1.00 21.25 H new ATOM 0 HD3 LYS A 310 12.846 9.052 -14.573 1.00 21.25 H new ATOM 0 HE2 LYS A 310 13.742 11.910 -15.119 1.00 52.41 H new ATOM 0 HE3 LYS A 310 12.196 11.252 -15.617 1.00 52.41 H new ATOM 0 HZ1 LYS A 310 11.876 12.329 -13.564 1.00 3.02 H new ATOM 0 HZ2 LYS A 310 11.820 10.664 -13.236 1.00 3.02 H new ATOM 0 HZ3 LYS A 310 13.211 11.559 -12.851 1.00 3.02 H new ATOM 218 N SER A 311 16.237 5.974 -15.897 1.00 11.14 N ATOM 219 CA SER A 311 16.149 5.524 -17.246 1.00 22.54 C ATOM 220 C SER A 311 15.173 4.386 -17.248 1.00 32.23 C ATOM 221 O SER A 311 15.331 3.413 -17.973 1.00 4.30 O ATOM 222 CB SER A 311 17.519 5.040 -17.799 1.00 2.43 C ATOM 223 OG SER A 311 18.425 4.758 -16.718 1.00 54.22 O ATOM 0 H SER A 311 16.238 5.224 -15.206 1.00 11.14 H new ATOM 0 HA SER A 311 15.831 6.345 -17.888 1.00 22.54 H new ATOM 0 HB2 SER A 311 17.378 4.146 -18.406 1.00 2.43 H new ATOM 0 HB3 SER A 311 17.946 5.803 -18.450 1.00 2.43 H new ATOM 0 HG SER A 311 19.283 4.453 -17.081 1.00 54.22 H new ATOM 229 N CYS A 312 14.135 4.484 -16.410 1.00 60.44 N ATOM 230 CA CYS A 312 13.164 3.425 -16.344 1.00 23.43 C ATOM 231 C CYS A 312 11.854 4.027 -15.997 1.00 41.45 C ATOM 232 O CYS A 312 11.715 4.758 -14.979 1.00 72.14 O ATOM 233 CB CYS A 312 13.468 2.341 -15.274 1.00 35.42 C ATOM 234 SG CYS A 312 14.798 1.203 -15.768 1.00 32.40 S ATOM 0 H CYS A 312 13.961 5.273 -15.787 1.00 60.44 H new ATOM 0 HA CYS A 312 13.178 2.932 -17.316 1.00 23.43 H new ATOM 0 HB2 CYS A 312 13.744 2.829 -14.339 1.00 35.42 H new ATOM 0 HB3 CYS A 312 12.562 1.768 -15.079 1.00 35.42 H new ATOM 0 HG CYS A 312 15.434 1.696 -16.789 1.00 32.40 H new ATOM 240 N VAL A 313 10.861 3.728 -16.857 1.00 23.14 N ATOM 241 CA VAL A 313 9.511 4.105 -16.647 1.00 42.01 C ATOM 242 C VAL A 313 8.912 2.880 -16.044 1.00 22.21 C ATOM 243 O VAL A 313 9.083 1.779 -16.563 1.00 72.23 O ATOM 244 CB VAL A 313 8.750 4.409 -17.941 1.00 21.50 C ATOM 245 CG1 VAL A 313 7.354 4.952 -17.595 1.00 43.32 C ATOM 246 CG2 VAL A 313 9.553 5.401 -18.801 1.00 23.42 C ATOM 0 H VAL A 313 11.011 3.208 -17.722 1.00 23.14 H new ATOM 0 HA VAL A 313 9.456 5.013 -16.046 1.00 42.01 H new ATOM 0 HB VAL A 313 8.624 3.497 -18.524 1.00 21.50 H new ATOM 0 HG11 VAL A 313 6.810 5.169 -18.514 1.00 43.32 H new ATOM 0 HG12 VAL A 313 6.807 4.207 -17.017 1.00 43.32 H new ATOM 0 HG13 VAL A 313 7.454 5.865 -17.008 1.00 43.32 H new ATOM 0 HG21 VAL A 313 9.006 5.612 -19.720 1.00 23.42 H new ATOM 0 HG22 VAL A 313 9.701 6.327 -18.246 1.00 23.42 H new ATOM 0 HG23 VAL A 313 10.522 4.967 -19.048 1.00 23.42 H new ATOM 256 N PHE A 314 8.233 3.029 -14.924 1.00 53.34 N ATOM 257 CA PHE A 314 7.625 1.897 -14.290 1.00 71.45 C ATOM 258 C PHE A 314 6.252 1.815 -14.826 1.00 24.23 C ATOM 259 O PHE A 314 5.427 2.749 -14.626 1.00 41.12 O ATOM 260 CB PHE A 314 7.563 2.001 -12.752 1.00 11.23 C ATOM 261 CG PHE A 314 8.885 1.735 -12.076 1.00 73.15 C ATOM 262 CD1 PHE A 314 9.287 2.492 -10.991 1.00 13.03 C ATOM 263 CD2 PHE A 314 9.723 0.717 -12.522 1.00 54.02 C ATOM 264 CE1 PHE A 314 10.486 2.233 -10.373 1.00 25.54 C ATOM 265 CE2 PHE A 314 10.913 0.472 -11.902 1.00 54.21 C ATOM 266 CZ PHE A 314 11.297 1.225 -10.831 1.00 0.53 C ATOM 0 H PHE A 314 8.094 3.918 -14.444 1.00 53.34 H new ATOM 0 HA PHE A 314 8.227 1.013 -14.501 1.00 71.45 H new ATOM 0 HB2 PHE A 314 7.218 2.998 -12.477 1.00 11.23 H new ATOM 0 HB3 PHE A 314 6.824 1.293 -12.378 1.00 11.23 H new ATOM 0 HD1 PHE A 314 8.656 3.290 -10.628 1.00 13.03 H new ATOM 0 HD2 PHE A 314 9.428 0.114 -13.368 1.00 54.02 H new ATOM 0 HE1 PHE A 314 10.792 2.825 -9.523 1.00 25.54 H new ATOM 0 HE2 PHE A 314 11.553 -0.321 -12.260 1.00 54.21 H new ATOM 0 HZ PHE A 314 12.240 1.028 -10.343 1.00 0.53 H new ATOM 276 N LEU A 315 5.945 0.690 -15.520 1.00 41.41 N ATOM 277 CA LEU A 315 4.660 0.544 -16.123 1.00 40.44 C ATOM 278 C LEU A 315 3.743 0.156 -15.027 1.00 63.54 C ATOM 279 O LEU A 315 3.754 -0.976 -14.536 1.00 3.15 O ATOM 280 CB LEU A 315 4.647 -0.611 -17.159 1.00 75.44 C ATOM 281 CG LEU A 315 3.703 -0.399 -18.348 1.00 13.32 C ATOM 282 CD1 LEU A 315 4.095 -1.280 -19.541 1.00 22.15 C ATOM 283 CD2 LEU A 315 2.227 -0.589 -17.966 1.00 54.14 C ATOM 0 H LEU A 315 6.578 -0.098 -15.657 1.00 41.41 H new ATOM 0 HA LEU A 315 4.381 1.468 -16.629 1.00 40.44 H new ATOM 0 HB2 LEU A 315 5.659 -0.752 -17.538 1.00 75.44 H new ATOM 0 HB3 LEU A 315 4.366 -1.533 -16.650 1.00 75.44 H new ATOM 0 HG LEU A 315 3.814 0.641 -18.655 1.00 13.32 H new ATOM 0 HD11 LEU A 315 3.405 -1.104 -20.366 1.00 22.15 H new ATOM 0 HD12 LEU A 315 5.109 -1.034 -19.857 1.00 22.15 H new ATOM 0 HD13 LEU A 315 4.051 -2.329 -19.249 1.00 22.15 H new ATOM 0 HD21 LEU A 315 1.600 -0.428 -18.843 1.00 54.14 H new ATOM 0 HD22 LEU A 315 2.075 -1.602 -17.593 1.00 54.14 H new ATOM 0 HD23 LEU A 315 1.957 0.128 -17.190 1.00 54.14 H new ATOM 295 N GLU A 316 3.082 1.139 -14.514 1.00 75.43 N ATOM 296 CA GLU A 316 1.982 0.987 -13.667 1.00 15.30 C ATOM 297 C GLU A 316 1.112 2.116 -14.060 1.00 13.31 C ATOM 298 O GLU A 316 0.036 1.998 -14.619 1.00 42.02 O ATOM 299 CB GLU A 316 2.321 1.035 -12.163 1.00 32.43 C ATOM 300 CG GLU A 316 3.832 1.164 -11.885 1.00 3.53 C ATOM 301 CD GLU A 316 4.042 1.625 -10.469 1.00 41.11 C ATOM 302 OE1 GLU A 316 3.465 2.699 -10.096 1.00 20.13 O ATOM 303 OE2 GLU A 316 4.837 1.028 -9.768 1.00 71.34 O ATOM 0 H GLU A 316 3.319 2.115 -14.693 1.00 75.43 H new ATOM 0 HA GLU A 316 1.526 0.003 -13.779 1.00 15.30 H new ATOM 0 HB2 GLU A 316 1.801 1.877 -11.707 1.00 32.43 H new ATOM 0 HB3 GLU A 316 1.946 0.131 -11.683 1.00 32.43 H new ATOM 0 HG2 GLU A 316 4.325 0.205 -12.044 1.00 3.53 H new ATOM 0 HG3 GLU A 316 4.282 1.873 -12.580 1.00 3.53 H new ATOM 310 N CYS A 317 1.736 3.281 -13.772 1.00 53.42 N ATOM 311 CA CYS A 317 1.185 4.608 -13.835 1.00 43.05 C ATOM 312 C CYS A 317 1.949 5.389 -14.897 1.00 2.30 C ATOM 313 O CYS A 317 1.453 6.383 -15.398 1.00 52.42 O ATOM 314 CB CYS A 317 1.482 5.337 -12.487 1.00 31.35 C ATOM 315 SG CYS A 317 3.164 4.835 -11.928 1.00 24.30 S ATOM 0 H CYS A 317 2.710 3.293 -13.469 1.00 53.42 H new ATOM 0 HA CYS A 317 0.117 4.551 -14.044 1.00 43.05 H new ATOM 0 HB2 CYS A 317 1.431 6.418 -12.619 1.00 31.35 H new ATOM 0 HB3 CYS A 317 0.736 5.072 -11.738 1.00 31.35 H new ATOM 320 N GLY A 318 3.188 4.933 -15.291 1.00 52.45 N ATOM 321 CA GLY A 318 3.997 5.742 -16.207 1.00 33.10 C ATOM 322 C GLY A 318 4.907 6.677 -15.440 1.00 72.43 C ATOM 323 O GLY A 318 5.267 7.729 -15.941 1.00 4.22 O ATOM 0 H GLY A 318 3.610 4.053 -14.994 1.00 52.45 H new ATOM 0 HA2 GLY A 318 4.593 5.090 -16.845 1.00 33.10 H new ATOM 0 HA3 GLY A 318 3.344 6.319 -16.862 1.00 33.10 H new ATOM 327 N HIS A 319 5.295 6.331 -14.185 1.00 34.30 N ATOM 328 CA HIS A 319 6.229 7.198 -13.437 1.00 21.20 C ATOM 329 C HIS A 319 7.606 6.838 -13.927 1.00 62.21 C ATOM 330 O HIS A 319 7.930 5.656 -14.007 1.00 54.24 O ATOM 331 CB HIS A 319 6.202 6.980 -11.889 1.00 11.44 C ATOM 332 CG HIS A 319 5.474 8.069 -11.078 1.00 55.21 C ATOM 333 ND1 HIS A 319 4.587 7.707 -10.063 1.00 71.11 N ATOM 334 CD2 HIS A 319 5.564 9.424 -11.147 1.00 41.04 C ATOM 335 CE1 HIS A 319 4.166 8.835 -9.550 1.00 32.43 C ATOM 336 NE2 HIS A 319 4.725 9.904 -10.164 1.00 24.34 N ATOM 0 H HIS A 319 4.989 5.493 -13.690 1.00 34.30 H new ATOM 0 HA HIS A 319 5.944 8.236 -13.607 1.00 21.20 H new ATOM 0 HB2 HIS A 319 5.728 6.020 -11.683 1.00 11.44 H new ATOM 0 HB3 HIS A 319 7.229 6.911 -11.531 1.00 11.44 H new ATOM 0 HD2 HIS A 319 6.167 10.004 -11.830 1.00 41.04 H new ATOM 0 HE1 HIS A 319 3.459 8.904 -8.736 1.00 32.43 H new ATOM 0 HE2 HIS A 319 4.556 10.885 -9.940 1.00 24.34 H new ATOM 344 N VAL A 320 8.453 7.839 -14.185 1.00 23.20 N ATOM 345 CA VAL A 320 9.800 7.593 -14.668 1.00 11.20 C ATOM 346 C VAL A 320 10.654 8.004 -13.519 1.00 73.52 C ATOM 347 O VAL A 320 10.688 9.183 -13.184 1.00 5.12 O ATOM 348 CB VAL A 320 10.166 8.443 -15.889 1.00 73.32 C ATOM 349 CG1 VAL A 320 11.275 7.727 -16.682 1.00 52.12 C ATOM 350 CG2 VAL A 320 8.893 8.666 -16.743 1.00 42.11 C ATOM 0 H VAL A 320 8.222 8.825 -14.065 1.00 23.20 H new ATOM 0 HA VAL A 320 9.920 6.557 -14.986 1.00 11.20 H new ATOM 0 HB VAL A 320 10.546 9.420 -15.589 1.00 73.32 H new ATOM 0 HG11 VAL A 320 11.543 8.324 -17.554 1.00 52.12 H new ATOM 0 HG12 VAL A 320 12.152 7.599 -16.047 1.00 52.12 H new ATOM 0 HG13 VAL A 320 10.917 6.750 -17.008 1.00 52.12 H new ATOM 0 HG21 VAL A 320 9.141 9.270 -17.616 1.00 42.11 H new ATOM 0 HG22 VAL A 320 8.500 7.703 -17.069 1.00 42.11 H new ATOM 0 HG23 VAL A 320 8.141 9.182 -16.147 1.00 42.11 H new ATOM 360 N CYS A 321 11.328 7.052 -12.827 1.00 65.43 N ATOM 361 CA CYS A 321 12.022 7.494 -11.621 1.00 0.22 C ATOM 362 C CYS A 321 13.183 6.595 -11.252 1.00 51.53 C ATOM 363 O CYS A 321 13.973 6.952 -10.356 1.00 51.33 O ATOM 364 CB CYS A 321 11.072 7.578 -10.395 1.00 24.13 C ATOM 365 SG CYS A 321 9.736 6.324 -10.450 1.00 22.10 S ATOM 0 H CYS A 321 11.398 6.062 -13.064 1.00 65.43 H new ATOM 0 HA CYS A 321 12.399 8.487 -11.865 1.00 0.22 H new ATOM 0 HB2 CYS A 321 11.652 7.446 -9.481 1.00 24.13 H new ATOM 0 HB3 CYS A 321 10.629 8.573 -10.351 1.00 24.13 H new ATOM 0 HG CYS A 321 10.135 5.238 -9.857 1.00 22.10 H new ATOM 371 N SER A 322 13.369 5.425 -11.898 1.00 34.11 N ATOM 372 CA SER A 322 14.411 4.535 -11.420 1.00 22.42 C ATOM 373 C SER A 322 15.383 4.256 -12.497 1.00 62.14 C ATOM 374 O SER A 322 15.255 4.713 -13.598 1.00 5.32 O ATOM 375 CB SER A 322 13.928 3.202 -10.805 1.00 51.01 C ATOM 376 OG SER A 322 14.875 2.746 -9.805 1.00 44.43 O ATOM 0 H SER A 322 12.838 5.100 -12.705 1.00 34.11 H new ATOM 0 HA SER A 322 14.875 5.080 -10.598 1.00 22.42 H new ATOM 0 HB2 SER A 322 12.945 3.335 -10.353 1.00 51.01 H new ATOM 0 HB3 SER A 322 13.820 2.449 -11.586 1.00 51.01 H new ATOM 0 HG SER A 322 14.562 1.902 -9.419 1.00 44.43 H new ATOM 382 N CYS A 323 16.415 3.480 -12.132 1.00 5.25 N ATOM 383 CA CYS A 323 17.491 3.141 -13.010 1.00 1.21 C ATOM 384 C CYS A 323 17.475 1.645 -12.994 1.00 1.33 C ATOM 385 O CYS A 323 17.096 1.057 -11.962 1.00 5.33 O ATOM 386 CB CYS A 323 18.910 3.732 -12.556 1.00 11.13 C ATOM 387 SG CYS A 323 19.790 2.833 -11.203 1.00 60.31 S ATOM 0 H CYS A 323 16.505 3.076 -11.200 1.00 5.25 H new ATOM 0 HA CYS A 323 17.358 3.572 -14.002 1.00 1.21 H new ATOM 0 HB2 CYS A 323 19.563 3.757 -13.428 1.00 11.13 H new ATOM 0 HB3 CYS A 323 18.763 4.764 -12.239 1.00 11.13 H new ATOM 392 N THR A 324 17.906 1.009 -14.088 1.00 73.12 N ATOM 393 CA THR A 324 17.778 -0.432 -14.289 1.00 14.10 C ATOM 394 C THR A 324 18.473 -1.194 -13.184 1.00 0.50 C ATOM 395 O THR A 324 17.927 -2.151 -12.647 1.00 11.40 O ATOM 396 CB THR A 324 18.342 -0.882 -15.634 1.00 24.21 C ATOM 397 OG1 THR A 324 18.058 0.098 -16.644 1.00 40.33 O ATOM 398 CG2 THR A 324 17.708 -2.231 -16.021 1.00 22.34 C ATOM 0 H THR A 324 18.358 1.489 -14.866 1.00 73.12 H new ATOM 0 HA THR A 324 16.710 -0.651 -14.274 1.00 14.10 H new ATOM 0 HB THR A 324 19.423 -0.994 -15.553 1.00 24.21 H new ATOM 0 HG1 THR A 324 17.165 0.472 -16.495 1.00 40.33 H new ATOM 0 HG21 THR A 324 18.107 -2.558 -16.981 1.00 22.34 H new ATOM 0 HG22 THR A 324 17.941 -2.975 -15.259 1.00 22.34 H new ATOM 0 HG23 THR A 324 16.627 -2.116 -16.097 1.00 22.34 H new ATOM 406 N GLU A 325 19.676 -0.745 -12.785 1.00 32.31 N ATOM 407 CA GLU A 325 20.456 -1.460 -11.789 1.00 3.13 C ATOM 408 C GLU A 325 19.757 -1.427 -10.448 1.00 73.11 C ATOM 409 O GLU A 325 19.844 -2.358 -9.693 1.00 53.33 O ATOM 410 CB GLU A 325 21.862 -0.874 -11.617 1.00 13.20 C ATOM 411 CG GLU A 325 22.664 -0.866 -12.941 1.00 20.24 C ATOM 412 CD GLU A 325 22.704 0.556 -13.491 1.00 23.20 C ATOM 413 OE1 GLU A 325 21.597 1.180 -13.590 1.00 0.43 O ATOM 414 OE2 GLU A 325 23.816 1.043 -13.806 1.00 1.21 O ATOM 0 H GLU A 325 20.117 0.104 -13.140 1.00 32.31 H new ATOM 0 HA GLU A 325 20.549 -2.485 -12.147 1.00 3.13 H new ATOM 0 HB2 GLU A 325 21.784 0.144 -11.236 1.00 13.20 H new ATOM 0 HB3 GLU A 325 22.405 -1.453 -10.870 1.00 13.20 H new ATOM 0 HG2 GLU A 325 23.676 -1.232 -12.770 1.00 20.24 H new ATOM 0 HG3 GLU A 325 22.201 -1.537 -13.665 1.00 20.24 H new ATOM 421 N CYS A 326 19.023 -0.332 -10.150 1.00 11.31 N ATOM 422 CA CYS A 326 18.331 -0.215 -8.845 1.00 73.35 C ATOM 423 C CYS A 326 17.262 -1.268 -8.805 1.00 74.41 C ATOM 424 O CYS A 326 17.086 -1.950 -7.808 1.00 34.23 O ATOM 425 CB CYS A 326 17.625 1.165 -8.611 1.00 12.13 C ATOM 426 SG CYS A 326 18.566 2.337 -7.574 1.00 12.13 S ATOM 0 H CYS A 326 18.895 0.464 -10.775 1.00 11.31 H new ATOM 0 HA CYS A 326 19.093 -0.324 -8.073 1.00 73.35 H new ATOM 0 HB2 CYS A 326 17.435 1.629 -9.579 1.00 12.13 H new ATOM 0 HB3 CYS A 326 16.655 0.987 -8.146 1.00 12.13 H new ATOM 431 N TYR A 327 16.530 -1.398 -9.919 1.00 1.14 N ATOM 432 CA TYR A 327 15.425 -2.325 -10.004 1.00 53.51 C ATOM 433 C TYR A 327 15.972 -3.731 -9.903 1.00 40.03 C ATOM 434 O TYR A 327 15.755 -4.431 -8.919 1.00 65.21 O ATOM 435 CB TYR A 327 14.684 -2.175 -11.366 1.00 2.03 C ATOM 436 CG TYR A 327 13.434 -2.988 -11.537 1.00 15.30 C ATOM 437 CD1 TYR A 327 12.252 -2.580 -10.958 1.00 15.14 C ATOM 438 CD2 TYR A 327 13.438 -4.138 -12.307 1.00 22.40 C ATOM 439 CE1 TYR A 327 11.100 -3.300 -11.145 1.00 25.31 C ATOM 440 CE2 TYR A 327 12.280 -4.855 -12.483 1.00 42.42 C ATOM 441 CZ TYR A 327 11.113 -4.433 -11.904 1.00 12.12 C ATOM 442 OH TYR A 327 9.924 -5.159 -12.096 1.00 32.23 O ATOM 0 H TYR A 327 16.695 -0.863 -10.772 1.00 1.14 H new ATOM 0 HA TYR A 327 14.723 -2.118 -9.196 1.00 53.51 H new ATOM 0 HB2 TYR A 327 14.430 -1.124 -11.503 1.00 2.03 H new ATOM 0 HB3 TYR A 327 15.377 -2.442 -12.164 1.00 2.03 H new ATOM 0 HD1 TYR A 327 12.233 -1.686 -10.352 1.00 15.14 H new ATOM 0 HD2 TYR A 327 14.354 -4.472 -12.771 1.00 22.40 H new ATOM 0 HE1 TYR A 327 10.179 -2.968 -10.689 1.00 25.31 H new ATOM 0 HE2 TYR A 327 12.290 -5.755 -13.080 1.00 42.42 H new ATOM 0 HH TYR A 327 10.104 -5.939 -12.662 1.00 32.23 H new ATOM 452 N ARG A 328 16.834 -4.078 -10.880 1.00 14.23 N ATOM 453 CA ARG A 328 17.310 -5.435 -11.096 1.00 1.44 C ATOM 454 C ARG A 328 18.074 -5.929 -9.884 1.00 2.01 C ATOM 455 O ARG A 328 18.112 -7.130 -9.603 1.00 33.14 O ATOM 456 CB ARG A 328 18.225 -5.501 -12.352 1.00 60.12 C ATOM 457 CG ARG A 328 18.703 -6.900 -12.748 1.00 4.13 C ATOM 458 CD ARG A 328 20.125 -7.202 -12.272 1.00 42.02 C ATOM 459 NE ARG A 328 21.074 -6.242 -12.946 1.00 74.14 N ATOM 460 CZ ARG A 328 21.966 -5.483 -12.213 1.00 61.41 C ATOM 461 NH1 ARG A 328 21.974 -5.545 -10.842 1.00 40.03 N ATOM 462 NH2 ARG A 328 22.855 -4.669 -12.855 1.00 74.14 N ATOM 0 H ARG A 328 17.217 -3.405 -11.544 1.00 14.23 H new ATOM 0 HA ARG A 328 16.442 -6.075 -11.256 1.00 1.44 H new ATOM 0 HB2 ARG A 328 17.686 -5.068 -13.195 1.00 60.12 H new ATOM 0 HB3 ARG A 328 19.099 -4.874 -12.176 1.00 60.12 H new ATOM 0 HG2 ARG A 328 18.021 -7.642 -12.333 1.00 4.13 H new ATOM 0 HG3 ARG A 328 18.660 -6.999 -13.833 1.00 4.13 H new ATOM 0 HD2 ARG A 328 20.191 -7.100 -11.189 1.00 42.02 H new ATOM 0 HD3 ARG A 328 20.394 -8.231 -12.513 1.00 42.02 H new ATOM 0 HE ARG A 328 21.057 -6.152 -13.962 1.00 74.14 H new ATOM 0 HH11 ARG A 328 21.318 -6.155 -10.355 1.00 40.03 H new ATOM 0 HH12 ARG A 328 22.636 -4.981 -10.310 1.00 40.03 H new ATOM 0 HH21 ARG A 328 22.860 -4.622 -13.874 1.00 74.14 H new ATOM 0 HH22 ARG A 328 23.514 -4.108 -12.316 1.00 74.14 H new ATOM 476 N ALA A 329 18.691 -5.011 -9.147 1.00 34.12 N ATOM 477 CA ALA A 329 19.446 -5.397 -7.986 1.00 32.33 C ATOM 478 C ALA A 329 18.495 -5.765 -6.883 1.00 20.24 C ATOM 479 O ALA A 329 18.596 -6.837 -6.315 1.00 24.43 O ATOM 480 CB ALA A 329 20.363 -4.278 -7.446 1.00 35.35 C ATOM 0 H ALA A 329 18.677 -4.009 -9.339 1.00 34.12 H new ATOM 0 HA ALA A 329 20.076 -6.232 -8.294 1.00 32.33 H new ATOM 0 HB1 ALA A 329 20.902 -4.640 -6.570 1.00 35.35 H new ATOM 0 HB2 ALA A 329 21.077 -3.989 -8.217 1.00 35.35 H new ATOM 0 HB3 ALA A 329 19.759 -3.414 -7.169 1.00 35.35 H new ATOM 486 N LEU A 330 17.588 -4.843 -6.552 1.00 55.31 N ATOM 487 CA LEU A 330 16.707 -4.968 -5.390 1.00 12.04 C ATOM 488 C LEU A 330 15.590 -5.945 -5.680 1.00 34.21 C ATOM 489 O LEU A 330 14.736 -5.640 -6.486 1.00 64.45 O ATOM 490 CB LEU A 330 16.056 -3.596 -5.062 1.00 2.21 C ATOM 491 CG LEU A 330 15.128 -3.566 -3.834 1.00 11.05 C ATOM 492 CD1 LEU A 330 15.667 -4.367 -2.637 1.00 21.32 C ATOM 493 CD2 LEU A 330 14.761 -2.129 -3.434 1.00 35.24 C ATOM 0 H LEU A 330 17.444 -3.985 -7.085 1.00 55.31 H new ATOM 0 HA LEU A 330 17.309 -5.317 -4.551 1.00 12.04 H new ATOM 0 HB2 LEU A 330 16.851 -2.866 -4.910 1.00 2.21 H new ATOM 0 HB3 LEU A 330 15.486 -3.270 -5.932 1.00 2.21 H new ATOM 0 HG LEU A 330 14.213 -4.072 -4.143 1.00 11.05 H new ATOM 0 HD11 LEU A 330 14.962 -4.301 -1.808 1.00 21.32 H new ATOM 0 HD12 LEU A 330 15.793 -5.411 -2.925 1.00 21.32 H new ATOM 0 HD13 LEU A 330 16.629 -3.957 -2.328 1.00 21.32 H new ATOM 0 HD21 LEU A 330 14.105 -2.150 -2.564 1.00 35.24 H new ATOM 0 HD22 LEU A 330 15.668 -1.576 -3.191 1.00 35.24 H new ATOM 0 HD23 LEU A 330 14.249 -1.640 -4.263 1.00 35.24 H new ATOM 505 N PRO A 331 15.543 -7.141 -5.058 1.00 43.45 N ATOM 506 CA PRO A 331 14.367 -7.957 -5.230 1.00 14.23 C ATOM 507 C PRO A 331 13.395 -7.816 -4.072 1.00 32.41 C ATOM 508 O PRO A 331 13.687 -8.169 -2.923 1.00 72.24 O ATOM 509 CB PRO A 331 14.969 -9.373 -5.243 1.00 20.10 C ATOM 510 CG PRO A 331 16.280 -9.265 -4.411 1.00 42.23 C ATOM 511 CD PRO A 331 16.529 -7.759 -4.184 1.00 11.40 C ATOM 0 HA PRO A 331 13.792 -7.692 -6.117 1.00 14.23 H new ATOM 0 HB2 PRO A 331 14.282 -10.097 -4.804 1.00 20.10 H new ATOM 0 HB3 PRO A 331 15.174 -9.705 -6.261 1.00 20.10 H new ATOM 0 HG2 PRO A 331 16.181 -9.790 -3.461 1.00 42.23 H new ATOM 0 HG3 PRO A 331 17.116 -9.721 -4.942 1.00 42.23 H new ATOM 0 HD2 PRO A 331 16.381 -7.476 -3.142 1.00 11.40 H new ATOM 0 HD3 PRO A 331 17.546 -7.471 -4.452 1.00 11.40 H new ATOM 519 N GLU A 332 12.244 -7.273 -4.360 1.00 4.04 N ATOM 520 CA GLU A 332 11.107 -7.248 -3.482 1.00 11.33 C ATOM 521 C GLU A 332 10.007 -7.214 -4.454 1.00 1.43 C ATOM 522 O GLU A 332 10.268 -7.171 -5.655 1.00 51.41 O ATOM 523 CB GLU A 332 11.039 -5.986 -2.566 1.00 42.54 C ATOM 524 CG GLU A 332 12.009 -4.889 -2.994 1.00 31.41 C ATOM 525 CD GLU A 332 11.589 -3.587 -2.358 1.00 12.14 C ATOM 526 OE1 GLU A 332 12.092 -3.283 -1.245 1.00 22.30 O ATOM 527 OE2 GLU A 332 10.749 -2.879 -2.965 1.00 13.13 O ATOM 0 H GLU A 332 12.065 -6.815 -5.254 1.00 4.04 H new ATOM 0 HA GLU A 332 11.108 -8.081 -2.780 1.00 11.33 H new ATOM 0 HB2 GLU A 332 10.023 -5.590 -2.576 1.00 42.54 H new ATOM 0 HB3 GLU A 332 11.258 -6.277 -1.539 1.00 42.54 H new ATOM 0 HG2 GLU A 332 13.024 -5.145 -2.692 1.00 31.41 H new ATOM 0 HG3 GLU A 332 12.014 -4.793 -4.080 1.00 31.41 H new ATOM 534 N PRO A 333 8.766 -7.219 -4.027 1.00 43.41 N ATOM 535 CA PRO A 333 7.776 -6.656 -4.907 1.00 0.21 C ATOM 536 C PRO A 333 7.970 -5.164 -4.786 1.00 55.03 C ATOM 537 O PRO A 333 7.843 -4.609 -3.689 1.00 73.34 O ATOM 538 CB PRO A 333 6.422 -7.087 -4.309 1.00 53.41 C ATOM 539 CG PRO A 333 6.725 -7.488 -2.851 1.00 33.34 C ATOM 540 CD PRO A 333 8.227 -7.811 -2.790 1.00 61.22 C ATOM 0 HA PRO A 333 7.836 -6.963 -5.951 1.00 0.21 H new ATOM 0 HB2 PRO A 333 5.698 -6.273 -4.350 1.00 53.41 H new ATOM 0 HB3 PRO A 333 5.995 -7.922 -4.865 1.00 53.41 H new ATOM 0 HG2 PRO A 333 6.474 -6.678 -2.166 1.00 33.34 H new ATOM 0 HG3 PRO A 333 6.130 -8.352 -2.555 1.00 33.34 H new ATOM 0 HD2 PRO A 333 8.693 -7.379 -1.904 1.00 61.22 H new ATOM 0 HD3 PRO A 333 8.403 -8.886 -2.751 1.00 61.22 H new ATOM 548 N LYS A 334 8.288 -4.489 -5.886 1.00 63.34 N ATOM 549 CA LYS A 334 8.644 -3.106 -5.778 1.00 42.33 C ATOM 550 C LYS A 334 7.450 -2.288 -5.976 1.00 74.32 C ATOM 551 O LYS A 334 6.602 -2.576 -6.827 1.00 41.42 O ATOM 552 CB LYS A 334 9.718 -2.657 -6.785 1.00 1.23 C ATOM 553 CG LYS A 334 11.137 -3.049 -6.372 1.00 33.31 C ATOM 554 CD LYS A 334 11.930 -3.711 -7.488 1.00 65.11 C ATOM 555 CE LYS A 334 11.806 -5.223 -7.468 1.00 3.41 C ATOM 556 NZ LYS A 334 12.514 -5.821 -8.606 1.00 42.02 N ATOM 0 H LYS A 334 8.303 -4.875 -6.830 1.00 63.34 H new ATOM 0 HA LYS A 334 9.068 -2.975 -4.782 1.00 42.33 H new ATOM 0 HB2 LYS A 334 9.497 -3.093 -7.759 1.00 1.23 H new ATOM 0 HB3 LYS A 334 9.667 -1.574 -6.901 1.00 1.23 H new ATOM 0 HG2 LYS A 334 11.669 -2.159 -6.037 1.00 33.31 H new ATOM 0 HG3 LYS A 334 11.085 -3.728 -5.521 1.00 33.31 H new ATOM 0 HD2 LYS A 334 11.583 -3.334 -8.450 1.00 65.11 H new ATOM 0 HD3 LYS A 334 12.980 -3.434 -7.397 1.00 65.11 H new ATOM 0 HE2 LYS A 334 12.213 -5.613 -6.535 1.00 3.41 H new ATOM 0 HE3 LYS A 334 10.754 -5.506 -7.499 1.00 3.41 H new ATOM 0 HZ1 LYS A 334 12.063 -6.723 -8.860 1.00 42.02 H new ATOM 0 HZ2 LYS A 334 12.475 -5.173 -9.419 1.00 42.02 H new ATOM 0 HZ3 LYS A 334 13.507 -5.991 -8.347 1.00 42.02 H new ATOM 570 N LYS A 335 7.367 -1.243 -5.169 1.00 53.21 N ATOM 571 CA LYS A 335 6.319 -0.312 -5.252 1.00 2.12 C ATOM 572 C LYS A 335 6.920 0.893 -5.889 1.00 32.14 C ATOM 573 O LYS A 335 8.120 1.127 -5.806 1.00 5.11 O ATOM 574 CB LYS A 335 5.742 0.089 -3.870 1.00 11.43 C ATOM 575 CG LYS A 335 5.303 -1.117 -3.014 1.00 64.11 C ATOM 576 CD LYS A 335 3.962 -1.735 -3.456 1.00 32.13 C ATOM 577 CE LYS A 335 4.058 -3.230 -3.802 1.00 3.03 C ATOM 578 NZ LYS A 335 4.643 -3.987 -2.673 1.00 3.33 N ATOM 0 H LYS A 335 8.048 -1.039 -4.438 1.00 53.21 H new ATOM 0 HA LYS A 335 5.489 -0.744 -5.810 1.00 2.12 H new ATOM 0 HB2 LYS A 335 6.493 0.659 -3.323 1.00 11.43 H new ATOM 0 HB3 LYS A 335 4.887 0.749 -4.019 1.00 11.43 H new ATOM 0 HG2 LYS A 335 6.077 -1.883 -3.057 1.00 64.11 H new ATOM 0 HG3 LYS A 335 5.223 -0.803 -1.973 1.00 64.11 H new ATOM 0 HD2 LYS A 335 3.230 -1.601 -2.660 1.00 32.13 H new ATOM 0 HD3 LYS A 335 3.590 -1.192 -4.325 1.00 32.13 H new ATOM 0 HE2 LYS A 335 3.067 -3.620 -4.034 1.00 3.03 H new ATOM 0 HE3 LYS A 335 4.670 -3.364 -4.694 1.00 3.03 H new ATOM 0 HZ1 LYS A 335 4.110 -4.869 -2.533 1.00 3.33 H new ATOM 0 HZ2 LYS A 335 5.636 -4.212 -2.883 1.00 3.33 H new ATOM 0 HZ3 LYS A 335 4.594 -3.413 -1.807 1.00 3.33 H new ATOM 592 N CYS A 336 6.086 1.659 -6.582 1.00 61.41 N ATOM 593 CA CYS A 336 6.479 2.900 -7.213 1.00 71.43 C ATOM 594 C CYS A 336 7.002 3.792 -6.112 1.00 61.25 C ATOM 595 O CYS A 336 6.257 4.123 -5.231 1.00 34.14 O ATOM 596 CB CYS A 336 5.267 3.623 -7.847 1.00 32.33 C ATOM 597 SG CYS A 336 5.693 4.597 -9.326 1.00 64.11 S ATOM 0 H CYS A 336 5.103 1.426 -6.720 1.00 61.41 H new ATOM 0 HA CYS A 336 7.211 2.693 -7.993 1.00 71.43 H new ATOM 0 HB2 CYS A 336 4.512 2.884 -8.114 1.00 32.33 H new ATOM 0 HB3 CYS A 336 4.818 4.283 -7.104 1.00 32.33 H new ATOM 602 N PRO A 337 8.236 4.249 -6.195 1.00 34.42 N ATOM 603 CA PRO A 337 8.820 5.083 -5.126 1.00 21.33 C ATOM 604 C PRO A 337 8.091 6.384 -4.898 1.00 73.22 C ATOM 605 O PRO A 337 8.199 6.982 -3.846 1.00 63.54 O ATOM 606 CB PRO A 337 10.268 5.359 -5.587 1.00 45.24 C ATOM 607 CG PRO A 337 10.298 5.001 -7.070 1.00 3.53 C ATOM 608 CD PRO A 337 9.184 3.985 -7.289 1.00 43.01 C ATOM 0 HA PRO A 337 8.756 4.561 -4.171 1.00 21.33 H new ATOM 0 HB2 PRO A 337 10.538 6.403 -5.430 1.00 45.24 H new ATOM 0 HB3 PRO A 337 10.981 4.757 -5.023 1.00 45.24 H new ATOM 0 HG2 PRO A 337 10.143 5.886 -7.687 1.00 3.53 H new ATOM 0 HG3 PRO A 337 11.265 4.583 -7.349 1.00 3.53 H new ATOM 0 HD2 PRO A 337 8.713 4.114 -8.264 1.00 43.01 H new ATOM 0 HD3 PRO A 337 9.563 2.964 -7.250 1.00 43.01 H new ATOM 616 N ILE A 338 7.337 6.831 -5.917 1.00 63.43 N ATOM 617 CA ILE A 338 6.668 8.100 -5.845 1.00 31.43 C ATOM 618 C ILE A 338 5.229 7.919 -5.408 1.00 42.52 C ATOM 619 O ILE A 338 4.679 8.775 -4.741 1.00 3.14 O ATOM 620 CB ILE A 338 6.635 8.824 -7.184 1.00 53.34 C ATOM 621 CG1 ILE A 338 7.770 8.383 -8.127 1.00 0.02 C ATOM 622 CG2 ILE A 338 6.676 10.323 -6.924 1.00 15.10 C ATOM 623 CD1 ILE A 338 9.145 8.849 -7.678 1.00 54.23 C ATOM 0 H ILE A 338 7.188 6.321 -6.787 1.00 63.43 H new ATOM 0 HA ILE A 338 7.235 8.691 -5.126 1.00 31.43 H new ATOM 0 HB ILE A 338 5.711 8.562 -7.699 1.00 53.34 H new ATOM 0 HG12 ILE A 338 7.769 7.295 -8.200 1.00 0.02 H new ATOM 0 HG13 ILE A 338 7.572 8.770 -9.127 1.00 0.02 H new ATOM 0 HG21 ILE A 338 6.653 10.858 -7.874 1.00 15.10 H new ATOM 0 HG22 ILE A 338 5.813 10.612 -6.324 1.00 15.10 H new ATOM 0 HG23 ILE A 338 7.591 10.574 -6.388 1.00 15.10 H new ATOM 0 HD11 ILE A 338 9.896 8.503 -8.388 1.00 54.23 H new ATOM 0 HD12 ILE A 338 9.163 9.938 -7.632 1.00 54.23 H new ATOM 0 HD13 ILE A 338 9.363 8.441 -6.691 1.00 54.23 H new ATOM 635 N CYS A 339 4.569 6.803 -5.817 1.00 23.50 N ATOM 636 CA CYS A 339 3.117 6.734 -5.618 1.00 62.11 C ATOM 637 C CYS A 339 2.718 5.471 -4.864 1.00 22.20 C ATOM 638 O CYS A 339 1.549 5.255 -4.600 1.00 44.02 O ATOM 639 CB CYS A 339 2.334 6.836 -6.973 1.00 74.34 C ATOM 640 SG CYS A 339 2.371 5.306 -7.974 1.00 23.45 S ATOM 0 H CYS A 339 4.997 5.990 -6.260 1.00 23.50 H new ATOM 0 HA CYS A 339 2.842 7.596 -5.011 1.00 62.11 H new ATOM 0 HB2 CYS A 339 1.296 7.094 -6.762 1.00 74.34 H new ATOM 0 HB3 CYS A 339 2.752 7.653 -7.561 1.00 74.34 H new ATOM 645 N ARG A 340 3.694 4.581 -4.597 1.00 0.23 N ATOM 646 CA ARG A 340 3.490 3.356 -3.799 1.00 44.01 C ATOM 647 C ARG A 340 2.623 2.305 -4.496 1.00 41.33 C ATOM 648 O ARG A 340 2.255 1.311 -3.890 1.00 40.31 O ATOM 649 CB ARG A 340 3.020 3.585 -2.342 1.00 2.21 C ATOM 650 CG ARG A 340 3.994 4.459 -1.522 1.00 62.24 C ATOM 651 CD ARG A 340 5.458 3.970 -1.568 1.00 24.30 C ATOM 652 NE ARG A 340 6.302 4.956 -0.823 1.00 41.44 N ATOM 653 CZ ARG A 340 7.674 4.859 -0.843 1.00 5.34 C ATOM 654 NH1 ARG A 340 8.287 3.824 -1.508 1.00 52.12 N ATOM 655 NH2 ARG A 340 8.432 5.804 -0.202 1.00 23.13 N ATOM 0 H ARG A 340 4.651 4.693 -4.931 1.00 0.23 H new ATOM 0 HA ARG A 340 4.500 2.954 -3.723 1.00 44.01 H new ATOM 0 HB2 ARG A 340 2.038 4.058 -2.353 1.00 2.21 H new ATOM 0 HB3 ARG A 340 2.903 2.620 -1.848 1.00 2.21 H new ATOM 0 HG2 ARG A 340 3.951 5.483 -1.894 1.00 62.24 H new ATOM 0 HG3 ARG A 340 3.661 4.483 -0.484 1.00 62.24 H new ATOM 0 HD2 ARG A 340 5.543 2.980 -1.119 1.00 24.30 H new ATOM 0 HD3 ARG A 340 5.797 3.882 -2.600 1.00 24.30 H new ATOM 0 HE ARG A 340 5.856 5.707 -0.296 1.00 41.44 H new ATOM 0 HH11 ARG A 340 7.724 3.123 -1.990 1.00 52.12 H new ATOM 0 HH12 ARG A 340 9.305 3.757 -1.520 1.00 52.12 H new ATOM 0 HH21 ARG A 340 7.978 6.575 0.287 1.00 23.13 H new ATOM 0 HH22 ARG A 340 9.450 5.736 -0.214 1.00 23.13 H new ATOM 669 N GLN A 341 2.294 2.494 -5.795 1.00 53.15 N ATOM 670 CA GLN A 341 1.563 1.453 -6.536 1.00 53.13 C ATOM 671 C GLN A 341 2.568 0.396 -6.870 1.00 72.12 C ATOM 672 O GLN A 341 3.702 0.725 -7.146 1.00 65.32 O ATOM 673 CB GLN A 341 1.059 1.931 -7.899 1.00 23.21 C ATOM 674 CG GLN A 341 -0.153 2.846 -7.855 1.00 72.31 C ATOM 675 CD GLN A 341 -0.272 3.486 -9.240 1.00 1.15 C ATOM 676 OE1 GLN A 341 0.758 3.795 -9.879 1.00 63.43 O ATOM 677 NE2 GLN A 341 -1.507 3.689 -9.724 1.00 64.15 N ATOM 0 H GLN A 341 2.517 3.331 -6.333 1.00 53.15 H new ATOM 0 HA GLN A 341 0.719 1.138 -5.922 1.00 53.13 H new ATOM 0 HB2 GLN A 341 1.870 2.453 -8.406 1.00 23.21 H new ATOM 0 HB3 GLN A 341 0.814 1.058 -8.505 1.00 23.21 H new ATOM 0 HG2 GLN A 341 -1.054 2.283 -7.610 1.00 72.31 H new ATOM 0 HG3 GLN A 341 -0.034 3.609 -7.085 1.00 72.31 H new ATOM 0 HE21 GLN A 341 -2.322 3.423 -9.171 1.00 64.15 H new ATOM 0 HE22 GLN A 341 -1.631 4.110 -10.645 1.00 64.15 H new ATOM 686 N ALA A 342 2.151 -0.883 -6.856 1.00 72.33 N ATOM 687 CA ALA A 342 3.024 -2.005 -7.242 1.00 40.11 C ATOM 688 C ALA A 342 3.487 -1.812 -8.674 1.00 22.54 C ATOM 689 O ALA A 342 2.779 -1.214 -9.500 1.00 31.10 O ATOM 690 CB ALA A 342 2.328 -3.375 -7.161 1.00 13.42 C ATOM 0 H ALA A 342 1.210 -1.165 -6.580 1.00 72.33 H new ATOM 0 HA ALA A 342 3.854 -2.003 -6.536 1.00 40.11 H new ATOM 0 HB1 ALA A 342 3.027 -4.156 -7.458 1.00 13.42 H new ATOM 0 HB2 ALA A 342 1.996 -3.555 -6.138 1.00 13.42 H new ATOM 0 HB3 ALA A 342 1.467 -3.386 -7.829 1.00 13.42 H new ATOM 696 N ILE A 343 4.687 -2.321 -8.992 1.00 72.15 N ATOM 697 CA ILE A 343 5.231 -2.212 -10.324 1.00 61.45 C ATOM 698 C ILE A 343 4.770 -3.412 -11.106 1.00 71.34 C ATOM 699 O ILE A 343 4.948 -4.560 -10.686 1.00 40.31 O ATOM 700 CB ILE A 343 6.749 -2.123 -10.326 1.00 13.03 C ATOM 701 CG1 ILE A 343 7.190 -0.844 -9.590 1.00 23.30 C ATOM 702 CG2 ILE A 343 7.281 -2.152 -11.776 1.00 44.44 C ATOM 703 CD1 ILE A 343 8.665 -0.792 -9.296 1.00 45.33 C ATOM 0 H ILE A 343 5.290 -2.811 -8.331 1.00 72.15 H new ATOM 0 HA ILE A 343 4.874 -1.289 -10.780 1.00 61.45 H new ATOM 0 HB ILE A 343 7.168 -2.982 -9.802 1.00 13.03 H new ATOM 0 HG12 ILE A 343 6.918 0.023 -10.192 1.00 23.30 H new ATOM 0 HG13 ILE A 343 6.639 -0.767 -8.653 1.00 23.30 H new ATOM 0 HG21 ILE A 343 8.369 -2.088 -11.766 1.00 44.44 H new ATOM 0 HG22 ILE A 343 6.977 -3.082 -12.257 1.00 44.44 H new ATOM 0 HG23 ILE A 343 6.873 -1.307 -12.330 1.00 44.44 H new ATOM 0 HD11 ILE A 343 8.900 0.137 -8.777 1.00 45.33 H new ATOM 0 HD12 ILE A 343 8.941 -1.639 -8.667 1.00 45.33 H new ATOM 0 HD13 ILE A 343 9.224 -0.837 -10.231 1.00 45.33 H new ATOM 715 N THR A 344 4.167 -3.150 -12.280 1.00 34.40 N ATOM 716 CA THR A 344 3.628 -4.192 -13.109 1.00 43.12 C ATOM 717 C THR A 344 4.664 -4.522 -14.170 1.00 75.41 C ATOM 718 O THR A 344 4.790 -5.671 -14.589 1.00 13.44 O ATOM 719 CB THR A 344 2.312 -3.741 -13.737 1.00 21.25 C ATOM 720 OG1 THR A 344 1.265 -3.857 -12.783 1.00 55.15 O ATOM 721 CG2 THR A 344 1.976 -4.529 -15.005 1.00 63.24 C ATOM 0 H THR A 344 4.051 -2.211 -12.660 1.00 34.40 H new ATOM 0 HA THR A 344 3.412 -5.082 -12.519 1.00 43.12 H new ATOM 0 HB THR A 344 2.422 -2.698 -14.034 1.00 21.25 H new ATOM 0 HG1 THR A 344 0.421 -3.566 -13.187 1.00 55.15 H new ATOM 0 HG21 THR A 344 1.031 -4.172 -15.415 1.00 63.24 H new ATOM 0 HG22 THR A 344 2.768 -4.389 -15.741 1.00 63.24 H new ATOM 0 HG23 THR A 344 1.890 -5.588 -14.763 1.00 63.24 H new ATOM 729 N ARG A 345 5.453 -3.530 -14.585 1.00 24.51 N ATOM 730 CA ARG A 345 6.456 -3.790 -15.589 1.00 0.13 C ATOM 731 C ARG A 345 7.392 -2.651 -15.571 1.00 24.52 C ATOM 732 O ARG A 345 7.135 -1.643 -14.935 1.00 52.01 O ATOM 733 CB ARG A 345 5.889 -3.953 -17.030 1.00 40.52 C ATOM 734 CG ARG A 345 6.333 -5.247 -17.710 1.00 75.14 C ATOM 735 CD ARG A 345 7.270 -5.005 -18.895 1.00 64.11 C ATOM 736 NE ARG A 345 7.792 -6.334 -19.341 1.00 73.23 N ATOM 737 CZ ARG A 345 9.054 -6.465 -19.870 1.00 42.14 C ATOM 738 NH1 ARG A 345 9.891 -5.381 -19.955 1.00 41.43 N ATOM 739 NH2 ARG A 345 9.481 -7.691 -20.308 1.00 4.44 N ATOM 0 H ARG A 345 5.412 -2.569 -14.246 1.00 24.51 H new ATOM 0 HA ARG A 345 6.932 -4.740 -15.345 1.00 0.13 H new ATOM 0 HB2 ARG A 345 4.800 -3.927 -16.990 1.00 40.52 H new ATOM 0 HB3 ARG A 345 6.206 -3.104 -17.636 1.00 40.52 H new ATOM 0 HG2 ARG A 345 6.835 -5.882 -16.980 1.00 75.14 H new ATOM 0 HG3 ARG A 345 5.453 -5.791 -18.054 1.00 75.14 H new ATOM 0 HD2 ARG A 345 6.738 -4.510 -19.708 1.00 64.11 H new ATOM 0 HD3 ARG A 345 8.091 -4.349 -18.606 1.00 64.11 H new ATOM 0 HE ARG A 345 7.200 -7.159 -19.251 1.00 73.23 H new ATOM 0 HH11 ARG A 345 9.578 -4.468 -19.624 1.00 41.43 H new ATOM 0 HH12 ARG A 345 10.826 -5.488 -20.349 1.00 41.43 H new ATOM 0 HH21 ARG A 345 8.864 -8.500 -20.241 1.00 4.44 H new ATOM 0 HH22 ARG A 345 10.416 -7.795 -20.702 1.00 4.44 H new ATOM 753 N VAL A 346 8.521 -2.807 -16.255 1.00 34.30 N ATOM 754 CA VAL A 346 9.476 -1.752 -16.342 1.00 20.22 C ATOM 755 C VAL A 346 9.802 -1.570 -17.800 1.00 64.23 C ATOM 756 O VAL A 346 9.970 -2.539 -18.550 1.00 41.44 O ATOM 757 CB VAL A 346 10.746 -2.027 -15.528 1.00 22.53 C ATOM 758 CG1 VAL A 346 11.300 -3.427 -15.848 1.00 40.31 C ATOM 759 CG2 VAL A 346 11.772 -0.902 -15.749 1.00 44.52 C ATOM 0 H VAL A 346 8.780 -3.660 -16.751 1.00 34.30 H new ATOM 0 HA VAL A 346 9.050 -0.845 -15.914 1.00 20.22 H new ATOM 0 HB VAL A 346 10.507 -2.028 -14.465 1.00 22.53 H new ATOM 0 HG11 VAL A 346 12.201 -3.605 -15.261 1.00 40.31 H new ATOM 0 HG12 VAL A 346 10.552 -4.180 -15.600 1.00 40.31 H new ATOM 0 HG13 VAL A 346 11.540 -3.489 -16.909 1.00 40.31 H new ATOM 0 HG21 VAL A 346 12.669 -1.108 -15.166 1.00 44.52 H new ATOM 0 HG22 VAL A 346 12.031 -0.848 -16.806 1.00 44.52 H new ATOM 0 HG23 VAL A 346 11.344 0.049 -15.431 1.00 44.52 H new ATOM 769 N ILE A 347 9.788 -0.306 -18.239 1.00 42.12 N ATOM 770 CA ILE A 347 10.160 0.044 -19.575 1.00 60.23 C ATOM 771 C ILE A 347 11.467 0.782 -19.439 1.00 63.13 C ATOM 772 O ILE A 347 11.503 1.895 -18.905 1.00 53.02 O ATOM 773 CB ILE A 347 9.158 0.994 -20.239 1.00 15.40 C ATOM 774 CG1 ILE A 347 7.707 0.504 -20.051 1.00 12.44 C ATOM 775 CG2 ILE A 347 9.514 1.152 -21.729 1.00 1.03 C ATOM 776 CD1 ILE A 347 6.891 1.403 -19.147 1.00 60.32 C ATOM 0 H ILE A 347 9.515 0.489 -17.661 1.00 42.12 H new ATOM 0 HA ILE A 347 10.209 -0.855 -20.189 1.00 60.23 H new ATOM 0 HB ILE A 347 9.223 1.970 -19.757 1.00 15.40 H new ATOM 0 HG12 ILE A 347 7.222 0.441 -21.025 1.00 12.44 H new ATOM 0 HG13 ILE A 347 7.721 -0.504 -19.636 1.00 12.44 H new ATOM 0 HG21 ILE A 347 8.802 1.828 -22.203 1.00 1.03 H new ATOM 0 HG22 ILE A 347 10.520 1.561 -21.821 1.00 1.03 H new ATOM 0 HG23 ILE A 347 9.472 0.179 -22.218 1.00 1.03 H new ATOM 0 HD11 ILE A 347 5.880 1.005 -19.054 1.00 60.32 H new ATOM 0 HD12 ILE A 347 7.355 1.447 -18.162 1.00 60.32 H new ATOM 0 HD13 ILE A 347 6.849 2.405 -19.573 1.00 60.32 H new ATOM 788 N PRO A 348 12.567 0.180 -19.879 1.00 41.14 N ATOM 789 CA PRO A 348 13.849 0.857 -19.840 1.00 43.13 C ATOM 790 C PRO A 348 13.943 1.907 -20.909 1.00 35.30 C ATOM 791 O PRO A 348 13.383 1.750 -22.003 1.00 25.30 O ATOM 792 CB PRO A 348 14.885 -0.253 -20.052 1.00 53.14 C ATOM 793 CG PRO A 348 14.137 -1.353 -20.804 1.00 51.43 C ATOM 794 CD PRO A 348 12.659 -1.189 -20.431 1.00 51.21 C ATOM 0 HA PRO A 348 14.005 1.384 -18.899 1.00 43.13 H new ATOM 0 HB2 PRO A 348 15.738 0.108 -20.626 1.00 53.14 H new ATOM 0 HB3 PRO A 348 15.272 -0.618 -19.101 1.00 53.14 H new ATOM 0 HG2 PRO A 348 14.281 -1.257 -21.880 1.00 51.43 H new ATOM 0 HG3 PRO A 348 14.504 -2.339 -20.520 1.00 51.43 H new ATOM 0 HD2 PRO A 348 12.014 -1.310 -21.301 1.00 51.21 H new ATOM 0 HD3 PRO A 348 12.349 -1.934 -19.698 1.00 51.21 H new ATOM 802 N LEU A 349 14.649 3.001 -20.615 1.00 53.12 N ATOM 803 CA LEU A 349 14.756 4.104 -21.530 1.00 21.10 C ATOM 804 C LEU A 349 16.192 4.191 -21.911 1.00 60.53 C ATOM 805 O LEU A 349 17.017 4.678 -21.137 1.00 41.33 O ATOM 806 CB LEU A 349 14.330 5.466 -20.898 1.00 23.30 C ATOM 807 CG LEU A 349 12.904 5.933 -21.296 1.00 64.42 C ATOM 808 CD1 LEU A 349 11.875 4.789 -21.366 1.00 32.20 C ATOM 809 CD2 LEU A 349 12.407 7.100 -20.427 1.00 2.21 C ATOM 0 H LEU A 349 15.154 3.132 -19.738 1.00 53.12 H new ATOM 0 HA LEU A 349 14.091 3.928 -22.376 1.00 21.10 H new ATOM 0 HB2 LEU A 349 14.383 5.383 -19.812 1.00 23.30 H new ATOM 0 HB3 LEU A 349 15.047 6.232 -21.194 1.00 23.30 H new ATOM 0 HG LEU A 349 13.000 6.307 -22.315 1.00 64.42 H new ATOM 0 HD11 LEU A 349 10.902 5.191 -21.650 1.00 32.20 H new ATOM 0 HD12 LEU A 349 12.195 4.057 -22.107 1.00 32.20 H new ATOM 0 HD13 LEU A 349 11.798 4.308 -20.391 1.00 32.20 H new ATOM 0 HD21 LEU A 349 11.405 7.390 -20.745 1.00 2.21 H new ATOM 0 HD22 LEU A 349 12.381 6.790 -19.382 1.00 2.21 H new ATOM 0 HD23 LEU A 349 13.082 7.949 -20.537 1.00 2.21 H new ATOM 821 N TYR A 350 16.531 3.667 -23.093 1.00 0.44 N ATOM 822 CA TYR A 350 17.874 3.771 -23.596 1.00 72.32 C ATOM 823 C TYR A 350 17.803 4.813 -24.654 1.00 45.21 C ATOM 824 O TYR A 350 16.898 4.788 -25.499 1.00 60.21 O ATOM 825 CB TYR A 350 18.401 2.465 -24.231 1.00 4.41 C ATOM 826 CG TYR A 350 18.396 1.296 -23.289 1.00 12.51 C ATOM 827 CD1 TYR A 350 17.401 0.346 -23.359 1.00 71.23 C ATOM 828 CD2 TYR A 350 19.382 1.156 -22.328 1.00 43.54 C ATOM 829 CE1 TYR A 350 17.391 -0.715 -22.494 1.00 4.31 C ATOM 830 CE2 TYR A 350 19.366 0.087 -21.463 1.00 43.21 C ATOM 831 CZ TYR A 350 18.368 -0.848 -21.547 1.00 41.13 C ATOM 832 OH TYR A 350 18.342 -1.951 -20.661 1.00 34.11 O ATOM 0 H TYR A 350 15.885 3.171 -23.706 1.00 0.44 H new ATOM 0 HA TYR A 350 18.554 4.001 -22.776 1.00 72.32 H new ATOM 0 HB2 TYR A 350 17.792 2.222 -25.102 1.00 4.41 H new ATOM 0 HB3 TYR A 350 19.418 2.629 -24.589 1.00 4.41 H new ATOM 0 HD1 TYR A 350 16.623 0.439 -24.102 1.00 71.23 H new ATOM 0 HD2 TYR A 350 20.170 1.892 -22.257 1.00 43.54 H new ATOM 0 HE1 TYR A 350 16.605 -1.453 -22.560 1.00 4.31 H new ATOM 0 HE2 TYR A 350 20.140 -0.016 -20.717 1.00 43.21 H new ATOM 0 HH TYR A 350 19.107 -1.898 -20.051 1.00 34.11 H new ATOM 842 N ASN A 351 18.730 5.762 -24.638 1.00 24.45 N ATOM 843 CA ASN A 351 18.709 6.819 -25.613 1.00 20.31 C ATOM 844 C ASN A 351 20.122 7.220 -25.773 1.00 73.13 C ATOM 845 O ASN A 351 21.013 6.612 -25.186 1.00 32.42 O ATOM 846 CB ASN A 351 17.877 8.068 -25.172 1.00 63.41 C ATOM 847 CG ASN A 351 17.227 8.799 -26.351 1.00 2.31 C ATOM 848 OD1 ASN A 351 17.818 8.918 -27.433 1.00 43.02 O ATOM 849 ND2 ASN A 351 16.000 9.306 -26.156 1.00 13.00 N ATOM 0 H ASN A 351 19.494 5.813 -23.964 1.00 24.45 H new ATOM 0 HA ASN A 351 18.237 6.459 -26.528 1.00 20.31 H new ATOM 0 HB2 ASN A 351 17.101 7.753 -24.474 1.00 63.41 H new ATOM 0 HB3 ASN A 351 18.527 8.760 -24.636 1.00 63.41 H new ATOM 0 HD21 ASN A 351 15.529 9.805 -26.910 1.00 13.00 H new ATOM 0 HD22 ASN A 351 15.539 9.192 -25.254 1.00 13.00 H new ATOM 856 N SER A 352 20.369 8.229 -26.575 1.00 51.13 N ATOM 857 CA SER A 352 21.705 8.713 -26.775 1.00 4.42 C ATOM 858 C SER A 352 22.003 9.694 -25.617 1.00 21.35 C ATOM 859 O SER A 352 21.025 10.236 -25.030 1.00 0.00 O ATOM 860 CB SER A 352 21.860 9.465 -28.126 1.00 40.32 C ATOM 861 OG SER A 352 20.898 8.967 -29.088 1.00 71.31 O ATOM 862 OXT SER A 352 23.211 9.899 -25.300 1.00 0.00 O ATOM 0 H SER A 352 19.653 8.730 -27.101 1.00 51.13 H new ATOM 0 HA SER A 352 22.395 7.869 -26.795 1.00 4.42 H new ATOM 0 HB2 SER A 352 21.714 10.534 -27.974 1.00 40.32 H new ATOM 0 HB3 SER A 352 22.871 9.333 -28.510 1.00 40.32 H new ATOM 0 HG SER A 352 21.003 9.449 -29.935 1.00 71.31 H new TER 868 SER A 352 HETATM 869 ZN ZN A 500 19.264 3.919 -9.141 1.00 0.00 ZN HETATM 870 ZN ZN A 501 3.733 5.764 -9.854 1.00 0.00 ZN