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 19:sc= 0.139 USER MOD Set 1.2: A 324 THR OG1 : rot -50:sc= 0.106 USER MOD Single : A 297 SER OG : rot 180:sc= -0.111 USER MOD Single : A 299 LYS NZ :NH3+ 154:sc= -0.0336 (180deg=-0.572) USER MOD Single : A 300 SER OG : rot -130:sc= -0.0137 USER MOD Single : A 307 SER OG : rot 180:sc= -0.0142 USER MOD Single : A 308 SER OG : rot 158:sc= 0.799 USER MOD Single : A 310 LYS NZ :NH3+ -116:sc= -0.366 (180deg=-0.908) USER MOD Single : A 311 SER OG : rot -101:sc= 0.944 USER MOD Single : A 321 CYS SG : rot 60:sc= -0.308 USER MOD Single : A 322 SER OG : rot 180:sc= 0.139 USER MOD Single : A 327 TYR OH : rot 180:sc= 0 USER MOD Single : A 334 LYS NZ :NH3+ 169:sc= 0.406 (180deg=0.358) USER MOD Single : A 335 LYS NZ :NH3+ 133:sc= 0.578 (180deg=-0.977) USER MOD Single : A 341 GLN : amide:sc= -2.02 K(o=-2,f=-9.5!) USER MOD Single : A 344 THR OG1 : rot 180:sc= 0 USER MOD Single : A 350 TYR OH : rot 180:sc= 0 USER MOD Single : A 351 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 352 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 296 6.695 12.568 -14.989 1.00 13.00 N ATOM 2 CA GLY A 296 6.816 13.933 -14.392 1.00 45.03 C ATOM 3 C GLY A 296 8.105 14.554 -14.820 1.00 73.23 C ATOM 4 O GLY A 296 8.263 15.775 -14.845 1.00 42.04 O ATOM 0 HA2 GLY A 296 5.978 14.555 -14.708 1.00 45.03 H new ATOM 0 HA3 GLY A 296 6.774 13.870 -13.305 1.00 45.03 H new ATOM 10 N SER A 297 9.075 13.707 -15.161 1.00 4.31 N ATOM 11 CA SER A 297 10.359 14.155 -15.593 1.00 51.25 C ATOM 12 C SER A 297 10.888 13.007 -16.390 1.00 12.22 C ATOM 13 O SER A 297 10.202 11.983 -16.516 1.00 23.54 O ATOM 14 CB SER A 297 11.339 14.457 -14.421 1.00 64.21 C ATOM 15 OG SER A 297 10.634 14.985 -13.288 1.00 32.31 O ATOM 0 H SER A 297 8.973 12.692 -15.139 1.00 4.31 H new ATOM 0 HA SER A 297 10.271 15.092 -16.143 1.00 51.25 H new ATOM 0 HB2 SER A 297 11.863 13.545 -14.136 1.00 64.21 H new ATOM 0 HB3 SER A 297 12.095 15.170 -14.749 1.00 64.21 H new ATOM 0 HG SER A 297 11.268 15.166 -12.563 1.00 32.31 H new ATOM 21 N LEU A 298 12.106 13.134 -16.941 1.00 35.12 N ATOM 22 CA LEU A 298 12.689 12.063 -17.716 1.00 5.41 C ATOM 23 C LEU A 298 14.148 12.322 -17.684 1.00 43.22 C ATOM 24 O LEU A 298 14.578 13.435 -17.976 1.00 4.21 O ATOM 25 CB LEU A 298 12.264 12.055 -19.214 1.00 35.24 C ATOM 26 CG LEU A 298 11.160 11.040 -19.554 1.00 1.43 C ATOM 27 CD1 LEU A 298 10.130 11.617 -20.527 1.00 72.15 C ATOM 28 CD2 LEU A 298 11.736 9.715 -20.063 1.00 74.34 C ATOM 0 H LEU A 298 12.690 13.966 -16.857 1.00 35.12 H new ATOM 0 HA LEU A 298 12.367 11.111 -17.294 1.00 5.41 H new ATOM 0 HB2 LEU A 298 11.920 13.053 -19.487 1.00 35.24 H new ATOM 0 HB3 LEU A 298 13.140 11.840 -19.827 1.00 35.24 H new ATOM 0 HG LEU A 298 10.636 10.825 -18.623 1.00 1.43 H new ATOM 0 HD11 LEU A 298 9.369 10.866 -20.739 1.00 72.15 H new ATOM 0 HD12 LEU A 298 9.660 12.494 -20.082 1.00 72.15 H new ATOM 0 HD13 LEU A 298 10.626 11.903 -21.455 1.00 72.15 H new ATOM 0 HD21 LEU A 298 10.921 9.028 -20.291 1.00 74.34 H new ATOM 0 HD22 LEU A 298 12.322 9.895 -20.964 1.00 74.34 H new ATOM 0 HD23 LEU A 298 12.376 9.278 -19.296 1.00 74.34 H new ATOM 40 N LYS A 299 14.945 11.292 -17.331 1.00 1.14 N ATOM 41 CA LYS A 299 16.398 11.392 -17.293 1.00 73.23 C ATOM 42 C LYS A 299 16.818 12.404 -16.262 1.00 2.00 C ATOM 43 O LYS A 299 17.662 13.260 -16.522 1.00 0.43 O ATOM 44 CB LYS A 299 17.071 11.726 -18.651 1.00 45.11 C ATOM 45 CG LYS A 299 16.621 10.809 -19.796 1.00 52.34 C ATOM 46 CD LYS A 299 17.182 9.378 -19.705 1.00 21.21 C ATOM 47 CE LYS A 299 16.181 8.308 -20.143 1.00 23.50 C ATOM 48 NZ LYS A 299 15.482 8.729 -21.379 1.00 54.31 N ATOM 0 H LYS A 299 14.589 10.374 -17.067 1.00 1.14 H new ATOM 0 HA LYS A 299 16.745 10.393 -17.030 1.00 73.23 H new ATOM 0 HB2 LYS A 299 16.848 12.760 -18.914 1.00 45.11 H new ATOM 0 HB3 LYS A 299 18.153 11.652 -18.540 1.00 45.11 H new ATOM 0 HG2 LYS A 299 15.532 10.762 -19.805 1.00 52.34 H new ATOM 0 HG3 LYS A 299 16.929 11.250 -20.744 1.00 52.34 H new ATOM 0 HD2 LYS A 299 18.076 9.305 -20.325 1.00 21.21 H new ATOM 0 HD3 LYS A 299 17.489 9.180 -18.678 1.00 21.21 H new ATOM 0 HE2 LYS A 299 16.699 7.365 -20.314 1.00 23.50 H new ATOM 0 HE3 LYS A 299 15.455 8.133 -19.349 1.00 23.50 H new ATOM 0 HZ1 LYS A 299 15.163 7.888 -21.901 1.00 54.31 H new ATOM 0 HZ2 LYS A 299 14.660 9.315 -21.130 1.00 54.31 H new ATOM 0 HZ3 LYS A 299 16.132 9.280 -21.975 1.00 54.31 H new ATOM 62 N SER A 300 16.202 12.340 -15.082 1.00 3.12 N ATOM 63 CA SER A 300 16.606 13.155 -13.966 1.00 12.04 C ATOM 64 C SER A 300 17.286 12.189 -13.049 1.00 55.23 C ATOM 65 O SER A 300 17.525 11.058 -13.437 1.00 3.53 O ATOM 66 CB SER A 300 15.415 13.814 -13.228 1.00 32.21 C ATOM 67 OG SER A 300 14.421 14.204 -14.169 1.00 2.40 O ATOM 0 H SER A 300 15.415 11.722 -14.886 1.00 3.12 H new ATOM 0 HA SER A 300 17.233 13.983 -14.297 1.00 12.04 H new ATOM 0 HB2 SER A 300 14.991 13.116 -12.506 1.00 32.21 H new ATOM 0 HB3 SER A 300 15.759 14.683 -12.667 1.00 32.21 H new ATOM 0 HG SER A 300 14.165 15.136 -14.007 1.00 2.40 H new ATOM 73 N ALA A 301 17.608 12.590 -11.814 1.00 41.01 N ATOM 74 CA ALA A 301 18.306 11.686 -10.908 1.00 13.55 C ATOM 75 C ALA A 301 17.377 10.555 -10.513 1.00 40.31 C ATOM 76 O ALA A 301 16.214 10.774 -10.207 1.00 4.35 O ATOM 77 CB ALA A 301 18.794 12.369 -9.611 1.00 62.14 C ATOM 0 H ALA A 301 17.401 13.512 -11.430 1.00 41.01 H new ATOM 0 HA ALA A 301 19.182 11.329 -11.449 1.00 13.55 H new ATOM 0 HB1 ALA A 301 19.304 11.637 -8.984 1.00 62.14 H new ATOM 0 HB2 ALA A 301 19.483 13.176 -9.862 1.00 62.14 H new ATOM 0 HB3 ALA A 301 17.940 12.776 -9.071 1.00 62.14 H new ATOM 83 N CYS A 302 17.898 9.285 -10.559 1.00 65.22 N ATOM 84 CA CYS A 302 17.163 8.087 -10.086 1.00 52.23 C ATOM 85 C CYS A 302 16.793 8.388 -8.663 1.00 22.22 C ATOM 86 O CYS A 302 17.670 8.472 -7.835 1.00 13.50 O ATOM 87 CB CYS A 302 18.082 6.804 -10.116 1.00 40.05 C ATOM 88 SG CYS A 302 17.346 5.230 -9.465 1.00 41.41 S ATOM 0 H CYS A 302 18.828 9.077 -10.922 1.00 65.22 H new ATOM 0 HA CYS A 302 16.300 7.884 -10.720 1.00 52.23 H new ATOM 0 HB2 CYS A 302 18.392 6.633 -11.147 1.00 40.05 H new ATOM 0 HB3 CYS A 302 18.984 7.019 -9.543 1.00 40.05 H new ATOM 93 N VAL A 303 15.474 8.392 -8.355 1.00 60.23 N ATOM 94 CA VAL A 303 14.969 8.948 -7.088 1.00 1.53 C ATOM 95 C VAL A 303 15.403 8.104 -5.912 1.00 55.21 C ATOM 96 O VAL A 303 15.390 8.556 -4.778 1.00 64.33 O ATOM 97 CB VAL A 303 13.447 9.067 -7.049 1.00 31.35 C ATOM 98 CG1 VAL A 303 12.973 9.874 -8.267 1.00 0.51 C ATOM 99 CG2 VAL A 303 12.807 7.665 -7.013 1.00 21.51 C ATOM 0 H VAL A 303 14.748 8.017 -8.966 1.00 60.23 H new ATOM 0 HA VAL A 303 15.396 9.949 -7.022 1.00 1.53 H new ATOM 0 HB VAL A 303 13.137 9.592 -6.145 1.00 31.35 H new ATOM 0 HG11 VAL A 303 11.887 9.962 -8.245 1.00 0.51 H new ATOM 0 HG12 VAL A 303 13.419 10.868 -8.240 1.00 0.51 H new ATOM 0 HG13 VAL A 303 13.277 9.365 -9.182 1.00 0.51 H new ATOM 0 HG21 VAL A 303 11.722 7.761 -6.985 1.00 21.51 H new ATOM 0 HG22 VAL A 303 13.099 7.109 -7.903 1.00 21.51 H new ATOM 0 HG23 VAL A 303 13.147 7.133 -6.125 1.00 21.51 H new ATOM 109 N VAL A 304 15.800 6.855 -6.176 1.00 52.44 N ATOM 110 CA VAL A 304 16.135 5.961 -5.104 1.00 52.14 C ATOM 111 C VAL A 304 17.601 6.109 -4.750 1.00 61.13 C ATOM 112 O VAL A 304 17.938 6.233 -3.589 1.00 1.01 O ATOM 113 CB VAL A 304 15.854 4.492 -5.439 1.00 44.11 C ATOM 114 CG1 VAL A 304 15.326 3.794 -4.177 1.00 12.12 C ATOM 115 CG2 VAL A 304 14.836 4.414 -6.602 1.00 53.52 C ATOM 0 H VAL A 304 15.891 6.461 -7.112 1.00 52.44 H new ATOM 0 HA VAL A 304 15.501 6.235 -4.261 1.00 52.14 H new ATOM 0 HB VAL A 304 16.765 3.987 -5.761 1.00 44.11 H new ATOM 0 HG11 VAL A 304 15.121 2.747 -4.399 1.00 12.12 H new ATOM 0 HG12 VAL A 304 16.074 3.858 -3.386 1.00 12.12 H new ATOM 0 HG13 VAL A 304 14.408 4.282 -3.849 1.00 12.12 H new ATOM 0 HG21 VAL A 304 14.636 3.370 -6.841 1.00 53.52 H new ATOM 0 HG22 VAL A 304 13.908 4.903 -6.306 1.00 53.52 H new ATOM 0 HG23 VAL A 304 15.247 4.914 -7.479 1.00 53.52 H new ATOM 125 N CYS A 305 18.509 6.108 -5.753 1.00 63.32 N ATOM 126 CA CYS A 305 19.939 6.104 -5.421 1.00 41.05 C ATOM 127 C CYS A 305 20.463 7.532 -5.391 1.00 43.21 C ATOM 128 O CYS A 305 21.208 7.896 -4.489 1.00 62.24 O ATOM 129 CB CYS A 305 20.817 5.197 -6.359 1.00 12.01 C ATOM 130 SG CYS A 305 20.676 5.580 -8.147 1.00 4.10 S ATOM 0 H CYS A 305 18.287 6.110 -6.749 1.00 63.32 H new ATOM 0 HA CYS A 305 20.027 5.655 -4.432 1.00 41.05 H new ATOM 0 HB2 CYS A 305 21.861 5.294 -6.062 1.00 12.01 H new ATOM 0 HB3 CYS A 305 20.536 4.156 -6.201 1.00 12.01 H new ATOM 135 N LEU A 306 20.115 8.325 -6.458 1.00 53.52 N ATOM 136 CA LEU A 306 20.448 9.760 -6.596 1.00 3.23 C ATOM 137 C LEU A 306 21.807 9.886 -7.241 1.00 5.21 C ATOM 138 O LEU A 306 22.312 10.983 -7.422 1.00 41.44 O ATOM 139 CB LEU A 306 20.410 10.641 -5.293 1.00 40.53 C ATOM 140 CG LEU A 306 18.983 10.917 -4.730 1.00 54.35 C ATOM 141 CD1 LEU A 306 17.975 11.352 -5.803 1.00 61.24 C ATOM 142 CD2 LEU A 306 18.443 9.769 -3.861 1.00 13.34 C ATOM 0 H LEU A 306 19.586 7.965 -7.252 1.00 53.52 H new ATOM 0 HA LEU A 306 19.642 10.164 -7.208 1.00 3.23 H new ATOM 0 HB2 LEU A 306 21.000 10.148 -4.521 1.00 40.53 H new ATOM 0 HB3 LEU A 306 20.893 11.595 -5.503 1.00 40.53 H new ATOM 0 HG LEU A 306 19.106 11.774 -4.068 1.00 54.35 H new ATOM 0 HD11 LEU A 306 17.004 11.527 -5.340 1.00 61.24 H new ATOM 0 HD12 LEU A 306 18.322 12.270 -6.277 1.00 61.24 H new ATOM 0 HD13 LEU A 306 17.883 10.568 -6.555 1.00 61.24 H new ATOM 0 HD21 LEU A 306 17.446 10.024 -3.500 1.00 13.34 H new ATOM 0 HD22 LEU A 306 18.392 8.856 -4.455 1.00 13.34 H new ATOM 0 HD23 LEU A 306 19.107 9.612 -3.011 1.00 13.34 H new ATOM 154 N SER A 307 22.401 8.752 -7.640 1.00 32.34 N ATOM 155 CA SER A 307 23.723 8.755 -8.229 1.00 55.11 C ATOM 156 C SER A 307 23.565 8.597 -9.724 1.00 41.01 C ATOM 157 O SER A 307 24.122 9.368 -10.508 1.00 35.33 O ATOM 158 CB SER A 307 24.585 7.580 -7.693 1.00 0.31 C ATOM 159 OG SER A 307 23.773 6.708 -6.882 1.00 34.14 O ATOM 0 H SER A 307 21.977 7.828 -7.560 1.00 32.34 H new ATOM 0 HA SER A 307 24.224 9.689 -7.973 1.00 55.11 H new ATOM 0 HB2 SER A 307 25.014 7.022 -8.526 1.00 0.31 H new ATOM 0 HB3 SER A 307 25.418 7.967 -7.106 1.00 0.31 H new ATOM 0 HG SER A 307 24.321 5.968 -6.548 1.00 34.14 H new ATOM 165 N SER A 308 22.779 7.584 -10.148 1.00 61.13 N ATOM 166 CA SER A 308 22.567 7.351 -11.562 1.00 35.51 C ATOM 167 C SER A 308 21.311 8.067 -11.909 1.00 24.53 C ATOM 168 O SER A 308 20.453 8.282 -11.029 1.00 72.34 O ATOM 169 CB SER A 308 22.378 5.859 -11.944 1.00 4.12 C ATOM 170 OG SER A 308 21.660 5.153 -10.923 1.00 60.11 O ATOM 0 H SER A 308 22.295 6.933 -9.530 1.00 61.13 H new ATOM 0 HA SER A 308 23.452 7.695 -12.098 1.00 35.51 H new ATOM 0 HB2 SER A 308 21.838 5.787 -12.888 1.00 4.12 H new ATOM 0 HB3 SER A 308 23.351 5.393 -12.097 1.00 4.12 H new ATOM 0 HG SER A 308 21.255 4.347 -11.306 1.00 60.11 H new ATOM 176 N PHE A 309 21.139 8.430 -13.187 1.00 52.35 N ATOM 177 CA PHE A 309 19.921 9.063 -13.626 1.00 15.31 C ATOM 178 C PHE A 309 18.866 7.985 -13.737 1.00 53.04 C ATOM 179 O PHE A 309 19.150 6.784 -13.558 1.00 11.05 O ATOM 180 CB PHE A 309 20.044 9.802 -15.003 1.00 5.01 C ATOM 181 CG PHE A 309 20.735 9.025 -16.094 1.00 44.54 C ATOM 182 CD1 PHE A 309 20.003 8.289 -17.004 1.00 3.12 C ATOM 183 CD2 PHE A 309 22.110 9.038 -16.204 1.00 33.21 C ATOM 184 CE1 PHE A 309 20.633 7.585 -17.996 1.00 54.11 C ATOM 185 CE2 PHE A 309 22.733 8.331 -17.197 1.00 40.42 C ATOM 186 CZ PHE A 309 21.997 7.605 -18.091 1.00 60.35 C ATOM 0 H PHE A 309 21.834 8.290 -13.921 1.00 52.35 H new ATOM 0 HA PHE A 309 19.666 9.831 -12.896 1.00 15.31 H new ATOM 0 HB2 PHE A 309 19.043 10.065 -15.346 1.00 5.01 H new ATOM 0 HB3 PHE A 309 20.584 10.736 -14.848 1.00 5.01 H new ATOM 0 HD1 PHE A 309 18.926 8.268 -16.933 1.00 3.12 H new ATOM 0 HD2 PHE A 309 22.699 9.610 -15.502 1.00 33.21 H new ATOM 0 HE1 PHE A 309 20.052 7.013 -18.704 1.00 54.11 H new ATOM 0 HE2 PHE A 309 23.810 8.347 -17.274 1.00 40.42 H new ATOM 0 HZ PHE A 309 22.492 7.047 -18.872 1.00 60.35 H new ATOM 196 N LYS A 310 17.608 8.395 -13.907 1.00 32.30 N ATOM 197 CA LYS A 310 16.534 7.461 -14.082 1.00 34.31 C ATOM 198 C LYS A 310 16.436 7.147 -15.539 1.00 32.34 C ATOM 199 O LYS A 310 16.412 8.036 -16.379 1.00 3.50 O ATOM 200 CB LYS A 310 15.165 7.985 -13.602 1.00 2.30 C ATOM 201 CG LYS A 310 14.910 9.451 -13.944 1.00 31.25 C ATOM 202 CD LYS A 310 13.512 9.695 -14.496 1.00 21.25 C ATOM 203 CE LYS A 310 12.920 11.033 -14.085 1.00 52.41 C ATOM 204 NZ LYS A 310 12.813 11.121 -12.615 1.00 3.02 N ATOM 0 H LYS A 310 17.324 9.374 -13.925 1.00 32.30 H new ATOM 0 HA LYS A 310 16.763 6.586 -13.474 1.00 34.31 H new ATOM 0 HB2 LYS A 310 14.378 7.376 -14.046 1.00 2.30 H new ATOM 0 HB3 LYS A 310 15.096 7.857 -12.522 1.00 2.30 H new ATOM 0 HG2 LYS A 310 15.053 10.058 -13.050 1.00 31.25 H new ATOM 0 HG3 LYS A 310 15.647 9.782 -14.676 1.00 31.25 H new ATOM 0 HD2 LYS A 310 13.546 9.641 -15.584 1.00 21.25 H new ATOM 0 HD3 LYS A 310 12.852 8.896 -14.158 1.00 21.25 H new ATOM 0 HE2 LYS A 310 13.545 11.844 -14.459 1.00 52.41 H new ATOM 0 HE3 LYS A 310 11.935 11.155 -14.535 1.00 52.41 H new ATOM 0 HZ1 LYS A 310 11.811 11.190 -12.343 1.00 3.02 H new ATOM 0 HZ2 LYS A 310 13.231 10.271 -12.185 1.00 3.02 H new ATOM 0 HZ3 LYS A 310 13.321 11.964 -12.280 1.00 3.02 H new ATOM 218 N SER A 311 16.369 5.861 -15.845 1.00 11.14 N ATOM 219 CA SER A 311 16.295 5.404 -17.196 1.00 22.54 C ATOM 220 C SER A 311 15.326 4.251 -17.186 1.00 32.23 C ATOM 221 O SER A 311 15.498 3.268 -17.889 1.00 4.30 O ATOM 222 CB SER A 311 17.680 4.928 -17.747 1.00 2.43 C ATOM 223 OG SER A 311 18.722 5.211 -16.799 1.00 54.22 O ATOM 0 H SER A 311 16.365 5.114 -15.151 1.00 11.14 H new ATOM 0 HA SER A 311 15.976 6.218 -17.848 1.00 22.54 H new ATOM 0 HB2 SER A 311 17.648 3.858 -17.953 1.00 2.43 H new ATOM 0 HB3 SER A 311 17.894 5.428 -18.692 1.00 2.43 H new ATOM 0 HG SER A 311 19.202 6.021 -17.072 1.00 54.22 H new ATOM 229 N CYS A 312 14.280 4.347 -16.342 1.00 60.44 N ATOM 230 CA CYS A 312 13.312 3.281 -16.267 1.00 23.43 C ATOM 231 C CYS A 312 11.995 3.874 -15.911 1.00 41.45 C ATOM 232 O CYS A 312 11.852 4.615 -14.895 1.00 72.14 O ATOM 233 CB CYS A 312 13.635 2.197 -15.210 1.00 35.42 C ATOM 234 SG CYS A 312 14.853 0.983 -15.795 1.00 32.40 S ATOM 0 H CYS A 312 14.102 5.139 -15.724 1.00 60.44 H new ATOM 0 HA CYS A 312 13.318 2.791 -17.241 1.00 23.43 H new ATOM 0 HB2 CYS A 312 14.013 2.677 -14.307 1.00 35.42 H new ATOM 0 HB3 CYS A 312 12.716 1.679 -14.935 1.00 35.42 H new ATOM 0 HG CYS A 312 15.504 1.475 -16.807 1.00 32.40 H new ATOM 240 N VAL A 313 11.000 3.556 -16.762 1.00 23.14 N ATOM 241 CA VAL A 313 9.650 3.953 -16.564 1.00 42.01 C ATOM 242 C VAL A 313 8.995 2.759 -15.962 1.00 22.21 C ATOM 243 O VAL A 313 9.207 1.635 -16.414 1.00 72.23 O ATOM 244 CB VAL A 313 8.915 4.286 -17.855 1.00 21.50 C ATOM 245 CG1 VAL A 313 7.734 5.216 -17.537 1.00 43.32 C ATOM 246 CG2 VAL A 313 9.899 4.912 -18.853 1.00 23.42 C ATOM 0 H VAL A 313 11.145 3.007 -17.609 1.00 23.14 H new ATOM 0 HA VAL A 313 9.621 4.856 -15.954 1.00 42.01 H new ATOM 0 HB VAL A 313 8.512 3.384 -18.315 1.00 21.50 H new ATOM 0 HG11 VAL A 313 7.203 5.458 -18.458 1.00 43.32 H new ATOM 0 HG12 VAL A 313 7.054 4.717 -16.847 1.00 43.32 H new ATOM 0 HG13 VAL A 313 8.106 6.133 -17.081 1.00 43.32 H new ATOM 0 HG21 VAL A 313 9.375 5.152 -19.779 1.00 23.42 H new ATOM 0 HG22 VAL A 313 10.319 5.823 -18.427 1.00 23.42 H new ATOM 0 HG23 VAL A 313 10.703 4.206 -19.063 1.00 23.42 H new ATOM 256 N PHE A 314 8.213 2.964 -14.921 1.00 53.34 N ATOM 257 CA PHE A 314 7.535 1.873 -14.298 1.00 71.45 C ATOM 258 C PHE A 314 6.163 1.841 -14.868 1.00 24.23 C ATOM 259 O PHE A 314 5.366 2.808 -14.684 1.00 41.12 O ATOM 260 CB PHE A 314 7.452 2.006 -12.767 1.00 11.23 C ATOM 261 CG PHE A 314 8.767 1.739 -12.064 1.00 73.15 C ATOM 262 CD1 PHE A 314 9.150 2.493 -10.972 1.00 13.03 C ATOM 263 CD2 PHE A 314 9.615 0.719 -12.494 1.00 54.02 C ATOM 264 CE1 PHE A 314 10.340 2.236 -10.332 1.00 25.54 C ATOM 265 CE2 PHE A 314 10.796 0.477 -11.852 1.00 54.21 C ATOM 266 CZ PHE A 314 11.158 1.230 -10.774 1.00 0.53 C ATOM 0 H PHE A 314 8.039 3.876 -14.499 1.00 53.34 H new ATOM 0 HA PHE A 314 8.091 0.956 -14.491 1.00 71.45 H new ATOM 0 HB2 PHE A 314 7.112 3.011 -12.516 1.00 11.23 H new ATOM 0 HB3 PHE A 314 6.701 1.312 -12.390 1.00 11.23 H new ATOM 0 HD1 PHE A 314 8.511 3.289 -10.619 1.00 13.03 H new ATOM 0 HD2 PHE A 314 9.335 0.114 -13.344 1.00 54.02 H new ATOM 0 HE1 PHE A 314 10.631 2.830 -9.478 1.00 25.54 H new ATOM 0 HE2 PHE A 314 11.445 -0.313 -12.199 1.00 54.21 H new ATOM 0 HZ PHE A 314 12.091 1.033 -10.268 1.00 0.53 H new ATOM 276 N LEU A 315 5.817 0.724 -15.562 1.00 41.41 N ATOM 277 CA LEU A 315 4.519 0.623 -16.154 1.00 40.44 C ATOM 278 C LEU A 315 3.621 0.234 -15.046 1.00 63.54 C ATOM 279 O LEU A 315 3.636 -0.908 -14.565 1.00 3.15 O ATOM 280 CB LEU A 315 4.447 -0.507 -17.210 1.00 75.44 C ATOM 281 CG LEU A 315 3.532 -0.214 -18.408 1.00 13.32 C ATOM 282 CD1 LEU A 315 3.693 -1.275 -19.508 1.00 22.15 C ATOM 283 CD2 LEU A 315 2.057 -0.031 -17.996 1.00 54.14 C ATOM 0 H LEU A 315 6.424 -0.083 -15.706 1.00 41.41 H new ATOM 0 HA LEU A 315 4.261 1.562 -16.644 1.00 40.44 H new ATOM 0 HB2 LEU A 315 5.453 -0.704 -17.579 1.00 75.44 H new ATOM 0 HB3 LEU A 315 4.102 -1.419 -16.722 1.00 75.44 H new ATOM 0 HG LEU A 315 3.852 0.741 -18.823 1.00 13.32 H new ATOM 0 HD11 LEU A 315 3.032 -1.038 -20.341 1.00 22.15 H new ATOM 0 HD12 LEU A 315 4.726 -1.285 -19.856 1.00 22.15 H new ATOM 0 HD13 LEU A 315 3.436 -2.256 -19.108 1.00 22.15 H new ATOM 0 HD21 LEU A 315 1.455 0.174 -18.881 1.00 54.14 H new ATOM 0 HD22 LEU A 315 1.698 -0.941 -17.515 1.00 54.14 H new ATOM 0 HD23 LEU A 315 1.975 0.804 -17.300 1.00 54.14 H new ATOM 295 N GLU A 316 2.988 1.226 -14.506 1.00 75.43 N ATOM 296 CA GLU A 316 1.908 1.075 -13.633 1.00 15.30 C ATOM 297 C GLU A 316 1.034 2.211 -13.997 1.00 13.31 C ATOM 298 O GLU A 316 -0.042 2.113 -14.539 1.00 42.02 O ATOM 299 CB GLU A 316 2.292 1.105 -12.138 1.00 32.43 C ATOM 300 CG GLU A 316 3.818 1.189 -11.903 1.00 3.53 C ATOM 301 CD GLU A 316 4.081 1.666 -10.506 1.00 41.11 C ATOM 302 OE1 GLU A 316 3.526 2.747 -10.132 1.00 20.13 O ATOM 303 OE2 GLU A 316 4.911 1.080 -9.828 1.00 71.34 O ATOM 0 H GLU A 316 3.234 2.200 -14.681 1.00 75.43 H new ATOM 0 HA GLU A 316 1.438 0.097 -13.739 1.00 15.30 H new ATOM 0 HB2 GLU A 316 1.810 1.959 -11.663 1.00 32.43 H new ATOM 0 HB3 GLU A 316 1.905 0.210 -11.652 1.00 32.43 H new ATOM 0 HG2 GLU A 316 4.275 0.212 -12.058 1.00 3.53 H new ATOM 0 HG3 GLU A 316 4.271 1.870 -12.623 1.00 3.53 H new ATOM 310 N CYS A 317 1.660 3.365 -13.709 1.00 53.42 N ATOM 311 CA CYS A 317 1.109 4.691 -13.776 1.00 43.05 C ATOM 312 C CYS A 317 1.877 5.464 -14.834 1.00 2.30 C ATOM 313 O CYS A 317 1.447 6.520 -15.244 1.00 52.42 O ATOM 314 CB CYS A 317 1.414 5.420 -12.438 1.00 31.35 C ATOM 315 SG CYS A 317 3.106 4.922 -11.907 1.00 24.30 S ATOM 0 H CYS A 317 2.633 3.375 -13.403 1.00 53.42 H new ATOM 0 HA CYS A 317 0.040 4.636 -13.984 1.00 43.05 H new ATOM 0 HB2 CYS A 317 1.356 6.501 -12.569 1.00 31.35 H new ATOM 0 HB3 CYS A 317 0.679 5.151 -11.679 1.00 31.35 H new ATOM 320 N GLY A 318 3.074 4.955 -15.293 1.00 52.45 N ATOM 321 CA GLY A 318 3.869 5.732 -16.241 1.00 33.10 C ATOM 322 C GLY A 318 4.775 6.706 -15.511 1.00 72.43 C ATOM 323 O GLY A 318 5.098 7.765 -16.045 1.00 4.22 O ATOM 0 H GLY A 318 3.470 4.055 -15.023 1.00 52.45 H new ATOM 0 HA2 GLY A 318 4.469 5.061 -16.856 1.00 33.10 H new ATOM 0 HA3 GLY A 318 3.209 6.277 -16.915 1.00 33.10 H new ATOM 327 N HIS A 319 5.178 6.393 -14.248 1.00 34.30 N ATOM 328 CA HIS A 319 6.126 7.265 -13.521 1.00 21.20 C ATOM 329 C HIS A 319 7.492 6.856 -13.993 1.00 62.21 C ATOM 330 O HIS A 319 7.767 5.657 -14.089 1.00 54.24 O ATOM 331 CB HIS A 319 6.094 7.101 -11.964 1.00 11.44 C ATOM 332 CG HIS A 319 5.332 8.197 -11.185 1.00 55.21 C ATOM 333 ND1 HIS A 319 4.506 7.840 -10.110 1.00 71.11 N ATOM 334 CD2 HIS A 319 5.324 9.552 -11.352 1.00 41.04 C ATOM 335 CE1 HIS A 319 4.020 8.981 -9.660 1.00 32.43 C ATOM 336 NE2 HIS A 319 4.484 10.046 -10.372 1.00 24.34 N ATOM 0 H HIS A 319 4.870 5.569 -13.731 1.00 34.30 H new ATOM 0 HA HIS A 319 5.860 8.302 -13.723 1.00 21.20 H new ATOM 0 HB2 HIS A 319 5.644 6.136 -11.729 1.00 11.44 H new ATOM 0 HB3 HIS A 319 7.121 7.071 -11.600 1.00 11.44 H new ATOM 0 HD2 HIS A 319 5.863 10.120 -12.096 1.00 41.04 H new ATOM 0 HE1 HIS A 319 3.337 9.061 -8.828 1.00 32.43 H new ATOM 0 HE2 HIS A 319 4.254 11.027 -10.211 1.00 24.34 H new ATOM 344 N VAL A 320 8.381 7.825 -14.213 1.00 23.20 N ATOM 345 CA VAL A 320 9.728 7.545 -14.659 1.00 11.20 C ATOM 346 C VAL A 320 10.537 7.919 -13.471 1.00 73.52 C ATOM 347 O VAL A 320 10.491 9.072 -13.061 1.00 5.12 O ATOM 348 CB VAL A 320 10.159 8.418 -15.846 1.00 73.32 C ATOM 349 CG1 VAL A 320 11.233 7.675 -16.660 1.00 52.12 C ATOM 350 CG2 VAL A 320 8.914 8.759 -16.701 1.00 42.11 C ATOM 0 H VAL A 320 8.181 8.817 -14.085 1.00 23.20 H new ATOM 0 HA VAL A 320 9.836 6.515 -14.999 1.00 11.20 H new ATOM 0 HB VAL A 320 10.595 9.355 -15.499 1.00 73.32 H new ATOM 0 HG11 VAL A 320 11.542 8.292 -17.504 1.00 52.12 H new ATOM 0 HG12 VAL A 320 12.095 7.472 -16.025 1.00 52.12 H new ATOM 0 HG13 VAL A 320 10.824 6.734 -17.029 1.00 52.12 H new ATOM 0 HG21 VAL A 320 9.212 9.379 -17.546 1.00 42.11 H new ATOM 0 HG22 VAL A 320 8.461 7.838 -17.068 1.00 42.11 H new ATOM 0 HG23 VAL A 320 8.191 9.300 -16.091 1.00 42.11 H new ATOM 360 N CYS A 321 11.240 6.956 -12.809 1.00 65.43 N ATOM 361 CA CYS A 321 11.909 7.380 -11.582 1.00 0.22 C ATOM 362 C CYS A 321 13.101 6.525 -11.228 1.00 51.53 C ATOM 363 O CYS A 321 13.930 6.947 -10.397 1.00 51.33 O ATOM 364 CB CYS A 321 10.949 7.402 -10.358 1.00 24.13 C ATOM 365 SG CYS A 321 9.567 6.204 -10.509 1.00 22.10 S ATOM 0 H CYS A 321 11.345 5.979 -13.082 1.00 65.43 H new ATOM 0 HA CYS A 321 12.251 8.392 -11.800 1.00 0.22 H new ATOM 0 HB2 CYS A 321 11.517 7.181 -9.454 1.00 24.13 H new ATOM 0 HB3 CYS A 321 10.541 8.406 -10.241 1.00 24.13 H new ATOM 0 HG CYS A 321 10.046 5.000 -10.618 1.00 22.10 H new ATOM 371 N SER A 322 13.272 5.325 -11.814 1.00 34.11 N ATOM 372 CA SER A 322 14.338 4.465 -11.332 1.00 22.42 C ATOM 373 C SER A 322 15.335 4.243 -12.399 1.00 62.14 C ATOM 374 O SER A 322 15.215 4.720 -13.496 1.00 5.32 O ATOM 375 CB SER A 322 13.885 3.100 -10.763 1.00 51.01 C ATOM 376 OG SER A 322 14.818 2.650 -9.749 1.00 44.43 O ATOM 0 H SER A 322 12.712 4.954 -12.581 1.00 34.11 H new ATOM 0 HA SER A 322 14.770 5.006 -10.490 1.00 22.42 H new ATOM 0 HB2 SER A 322 12.886 3.188 -10.336 1.00 51.01 H new ATOM 0 HB3 SER A 322 13.825 2.365 -11.565 1.00 51.01 H new ATOM 0 HG SER A 322 14.523 1.786 -9.393 1.00 44.43 H new ATOM 382 N CYS A 323 16.385 3.503 -12.033 1.00 5.25 N ATOM 383 CA CYS A 323 17.479 3.209 -12.908 1.00 1.21 C ATOM 384 C CYS A 323 17.486 1.723 -12.932 1.00 1.33 C ATOM 385 O CYS A 323 17.132 1.102 -11.906 1.00 5.33 O ATOM 386 CB CYS A 323 18.879 3.804 -12.419 1.00 11.13 C ATOM 387 SG CYS A 323 19.751 2.868 -11.096 1.00 60.31 S ATOM 0 H CYS A 323 16.483 3.094 -11.104 1.00 5.25 H new ATOM 0 HA CYS A 323 17.352 3.668 -13.888 1.00 1.21 H new ATOM 0 HB2 CYS A 323 19.541 3.872 -13.282 1.00 11.13 H new ATOM 0 HB3 CYS A 323 18.712 4.821 -12.064 1.00 11.13 H new ATOM 392 N THR A 324 17.888 1.124 -14.062 1.00 73.12 N ATOM 393 CA THR A 324 17.797 -0.314 -14.283 1.00 14.10 C ATOM 394 C THR A 324 18.448 -1.090 -13.167 1.00 0.50 C ATOM 395 O THR A 324 17.831 -1.982 -12.601 1.00 11.40 O ATOM 396 CB THR A 324 18.399 -0.741 -15.613 1.00 24.21 C ATOM 397 OG1 THR A 324 18.404 0.377 -16.525 1.00 40.33 O ATOM 398 CG2 THR A 324 17.549 -1.896 -16.188 1.00 22.34 C ATOM 0 H THR A 324 18.287 1.634 -14.850 1.00 73.12 H new ATOM 0 HA THR A 324 16.731 -0.542 -14.304 1.00 14.10 H new ATOM 0 HB THR A 324 19.426 -1.077 -15.471 1.00 24.21 H new ATOM 0 HG1 THR A 324 17.512 0.783 -16.550 1.00 40.33 H new ATOM 0 HG21 THR A 324 17.967 -2.215 -17.143 1.00 22.34 H new ATOM 0 HG22 THR A 324 17.555 -2.734 -15.491 1.00 22.34 H new ATOM 0 HG23 THR A 324 16.524 -1.555 -16.336 1.00 22.34 H new ATOM 406 N GLU A 325 19.685 -0.714 -12.776 1.00 32.31 N ATOM 407 CA GLU A 325 20.424 -1.477 -11.783 1.00 3.13 C ATOM 408 C GLU A 325 19.725 -1.422 -10.441 1.00 73.11 C ATOM 409 O GLU A 325 19.796 -2.349 -9.687 1.00 53.33 O ATOM 410 CB GLU A 325 21.871 -0.998 -11.604 1.00 13.20 C ATOM 411 CG GLU A 325 22.747 -1.236 -12.858 1.00 20.24 C ATOM 412 CD GLU A 325 24.120 -0.614 -12.637 1.00 23.20 C ATOM 413 OE1 GLU A 325 24.460 -0.313 -11.459 1.00 0.43 O ATOM 414 OE2 GLU A 325 24.856 -0.430 -13.649 1.00 1.21 O ATOM 0 H GLU A 325 20.176 0.105 -13.135 1.00 32.31 H new ATOM 0 HA GLU A 325 20.456 -2.500 -12.158 1.00 3.13 H new ATOM 0 HB2 GLU A 325 21.869 0.066 -11.366 1.00 13.20 H new ATOM 0 HB3 GLU A 325 22.316 -1.514 -10.753 1.00 13.20 H new ATOM 0 HG2 GLU A 325 22.845 -2.304 -13.050 1.00 20.24 H new ATOM 0 HG3 GLU A 325 22.273 -0.797 -13.736 1.00 20.24 H new ATOM 421 N CYS A 326 19.006 -0.316 -10.140 1.00 11.31 N ATOM 422 CA CYS A 326 18.314 -0.218 -8.839 1.00 73.35 C ATOM 423 C CYS A 326 17.229 -1.266 -8.814 1.00 74.41 C ATOM 424 O CYS A 326 17.009 -1.915 -7.798 1.00 34.23 O ATOM 425 CB CYS A 326 17.607 1.158 -8.578 1.00 12.13 C ATOM 426 SG CYS A 326 18.545 2.302 -7.511 1.00 12.13 S ATOM 0 H CYS A 326 18.893 0.490 -10.754 1.00 11.31 H new ATOM 0 HA CYS A 326 19.081 -0.345 -8.075 1.00 73.35 H new ATOM 0 HB2 CYS A 326 17.422 1.644 -9.536 1.00 12.13 H new ATOM 0 HB3 CYS A 326 16.635 0.971 -8.122 1.00 12.13 H new ATOM 431 N TYR A 327 16.505 -1.413 -9.948 1.00 1.14 N ATOM 432 CA TYR A 327 15.382 -2.324 -10.002 1.00 53.51 C ATOM 433 C TYR A 327 15.899 -3.744 -9.888 1.00 40.03 C ATOM 434 O TYR A 327 15.707 -4.410 -8.870 1.00 65.21 O ATOM 435 CB TYR A 327 14.595 -2.169 -11.351 1.00 2.03 C ATOM 436 CG TYR A 327 13.424 -3.099 -11.565 1.00 15.30 C ATOM 437 CD1 TYR A 327 12.188 -2.815 -11.020 1.00 15.14 C ATOM 438 CD2 TYR A 327 13.564 -4.243 -12.331 1.00 22.40 C ATOM 439 CE1 TYR A 327 11.122 -3.653 -11.237 1.00 25.31 C ATOM 440 CE2 TYR A 327 12.498 -5.078 -12.541 1.00 42.42 C ATOM 441 CZ TYR A 327 11.277 -4.783 -11.996 1.00 12.12 C ATOM 442 OH TYR A 327 10.179 -5.638 -12.219 1.00 32.23 O ATOM 0 H TYR A 327 16.690 -0.912 -10.817 1.00 1.14 H new ATOM 0 HA TYR A 327 14.704 -2.094 -9.180 1.00 53.51 H new ATOM 0 HB2 TYR A 327 14.231 -1.144 -11.417 1.00 2.03 H new ATOM 0 HB3 TYR A 327 15.297 -2.311 -12.173 1.00 2.03 H new ATOM 0 HD1 TYR A 327 12.058 -1.927 -10.419 1.00 15.14 H new ATOM 0 HD2 TYR A 327 14.523 -4.480 -12.768 1.00 22.40 H new ATOM 0 HE1 TYR A 327 10.158 -3.421 -10.808 1.00 25.31 H new ATOM 0 HE2 TYR A 327 12.621 -5.970 -13.137 1.00 42.42 H new ATOM 0 HH TYR A 327 10.460 -6.392 -12.778 1.00 32.23 H new ATOM 452 N ARG A 328 16.714 -4.153 -10.886 1.00 14.23 N ATOM 453 CA ARG A 328 17.123 -5.543 -11.048 1.00 1.44 C ATOM 454 C ARG A 328 17.970 -6.004 -9.892 1.00 2.01 C ATOM 455 O ARG A 328 18.064 -7.207 -9.626 1.00 33.14 O ATOM 456 CB ARG A 328 17.881 -5.804 -12.365 1.00 60.12 C ATOM 457 CG ARG A 328 18.982 -4.787 -12.653 1.00 4.13 C ATOM 458 CD ARG A 328 20.366 -5.412 -12.824 1.00 42.02 C ATOM 459 NE ARG A 328 20.484 -5.961 -14.212 1.00 74.14 N ATOM 460 CZ ARG A 328 20.772 -5.140 -15.276 1.00 61.41 C ATOM 461 NH1 ARG A 328 20.910 -3.786 -15.093 1.00 40.03 N ATOM 462 NH2 ARG A 328 20.919 -5.679 -16.523 1.00 74.14 N ATOM 0 H ARG A 328 17.098 -3.524 -11.591 1.00 14.23 H new ATOM 0 HA ARG A 328 16.196 -6.116 -11.078 1.00 1.44 H new ATOM 0 HB2 ARG A 328 18.320 -6.801 -12.329 1.00 60.12 H new ATOM 0 HB3 ARG A 328 17.169 -5.799 -13.190 1.00 60.12 H new ATOM 0 HG2 ARG A 328 18.728 -4.236 -13.558 1.00 4.13 H new ATOM 0 HG3 ARG A 328 19.018 -4.063 -11.839 1.00 4.13 H new ATOM 0 HD2 ARG A 328 21.141 -4.666 -12.647 1.00 42.02 H new ATOM 0 HD3 ARG A 328 20.514 -6.205 -12.091 1.00 42.02 H new ATOM 0 HE ARG A 328 20.349 -6.959 -14.370 1.00 74.14 H new ATOM 0 HH11 ARG A 328 20.799 -3.383 -14.163 1.00 40.03 H new ATOM 0 HH12 ARG A 328 21.124 -3.183 -15.888 1.00 40.03 H new ATOM 0 HH21 ARG A 328 20.815 -6.684 -16.660 1.00 74.14 H new ATOM 0 HH22 ARG A 328 21.133 -5.076 -17.317 1.00 74.14 H new ATOM 476 N ALA A 329 18.610 -5.066 -9.190 1.00 34.12 N ATOM 477 CA ALA A 329 19.424 -5.431 -8.066 1.00 32.33 C ATOM 478 C ALA A 329 18.528 -5.801 -6.932 1.00 20.24 C ATOM 479 O ALA A 329 18.635 -6.884 -6.392 1.00 24.43 O ATOM 480 CB ALA A 329 20.346 -4.303 -7.566 1.00 35.35 C ATOM 0 H ALA A 329 18.572 -4.066 -9.389 1.00 34.12 H new ATOM 0 HA ALA A 329 20.057 -6.253 -8.401 1.00 32.33 H new ATOM 0 HB1 ALA A 329 20.928 -4.659 -6.715 1.00 35.35 H new ATOM 0 HB2 ALA A 329 21.021 -4.003 -8.367 1.00 35.35 H new ATOM 0 HB3 ALA A 329 19.743 -3.448 -7.261 1.00 35.35 H new ATOM 486 N LEU A 330 17.638 -4.887 -6.552 1.00 55.31 N ATOM 487 CA LEU A 330 16.808 -5.057 -5.363 1.00 12.04 C ATOM 488 C LEU A 330 15.701 -6.028 -5.666 1.00 34.21 C ATOM 489 O LEU A 330 14.862 -5.721 -6.487 1.00 64.45 O ATOM 490 CB LEU A 330 16.149 -3.709 -4.963 1.00 2.21 C ATOM 491 CG LEU A 330 15.170 -3.766 -3.777 1.00 11.05 C ATOM 492 CD1 LEU A 330 15.725 -4.549 -2.574 1.00 21.32 C ATOM 493 CD2 LEU A 330 14.693 -2.366 -3.367 1.00 35.24 C ATOM 0 H LEU A 330 17.473 -4.015 -7.055 1.00 55.31 H new ATOM 0 HA LEU A 330 17.441 -5.419 -4.553 1.00 12.04 H new ATOM 0 HB2 LEU A 330 16.939 -2.997 -4.723 1.00 2.21 H new ATOM 0 HB3 LEU A 330 15.618 -3.315 -5.829 1.00 2.21 H new ATOM 0 HG LEU A 330 14.302 -4.323 -4.129 1.00 11.05 H new ATOM 0 HD11 LEU A 330 14.988 -4.553 -1.771 1.00 21.32 H new ATOM 0 HD12 LEU A 330 15.939 -5.575 -2.875 1.00 21.32 H new ATOM 0 HD13 LEU A 330 16.642 -4.075 -2.223 1.00 21.32 H new ATOM 0 HD21 LEU A 330 14.003 -2.448 -2.527 1.00 35.24 H new ATOM 0 HD22 LEU A 330 15.551 -1.760 -3.075 1.00 35.24 H new ATOM 0 HD23 LEU A 330 14.185 -1.894 -4.208 1.00 35.24 H new ATOM 505 N PRO A 331 15.654 -7.227 -5.068 1.00 43.45 N ATOM 506 CA PRO A 331 14.480 -8.029 -5.262 1.00 14.23 C ATOM 507 C PRO A 331 13.507 -7.900 -4.115 1.00 32.41 C ATOM 508 O PRO A 331 13.779 -8.299 -2.987 1.00 72.24 O ATOM 509 CB PRO A 331 15.073 -9.454 -5.296 1.00 20.10 C ATOM 510 CG PRO A 331 16.390 -9.367 -4.474 1.00 42.23 C ATOM 511 CD PRO A 331 16.641 -7.867 -4.210 1.00 11.40 C ATOM 0 HA PRO A 331 13.913 -7.746 -6.149 1.00 14.23 H new ATOM 0 HB2 PRO A 331 14.384 -10.178 -4.860 1.00 20.10 H new ATOM 0 HB3 PRO A 331 15.268 -9.775 -6.319 1.00 20.10 H new ATOM 0 HG2 PRO A 331 16.300 -9.916 -3.537 1.00 42.23 H new ATOM 0 HG3 PRO A 331 17.221 -9.809 -5.024 1.00 42.23 H new ATOM 0 HD2 PRO A 331 16.495 -7.609 -3.161 1.00 11.40 H new ATOM 0 HD3 PRO A 331 17.658 -7.573 -4.472 1.00 11.40 H new ATOM 519 N GLU A 332 12.366 -7.329 -4.410 1.00 4.04 N ATOM 520 CA GLU A 332 11.196 -7.340 -3.574 1.00 11.33 C ATOM 521 C GLU A 332 10.144 -7.262 -4.595 1.00 1.43 C ATOM 522 O GLU A 332 10.470 -7.198 -5.787 1.00 51.41 O ATOM 523 CB GLU A 332 11.064 -6.132 -2.584 1.00 42.54 C ATOM 524 CG GLU A 332 11.970 -4.943 -2.911 1.00 31.41 C ATOM 525 CD GLU A 332 11.376 -3.685 -2.287 1.00 12.14 C ATOM 526 OE1 GLU A 332 11.473 -2.605 -2.928 1.00 22.30 O ATOM 527 OE2 GLU A 332 10.790 -3.786 -1.169 1.00 13.13 O ATOM 0 H GLU A 332 12.223 -6.820 -5.282 1.00 4.04 H new ATOM 0 HA GLU A 332 11.183 -8.201 -2.906 1.00 11.33 H new ATOM 0 HB2 GLU A 332 10.028 -5.793 -2.580 1.00 42.54 H new ATOM 0 HB3 GLU A 332 11.290 -6.478 -1.576 1.00 42.54 H new ATOM 0 HG2 GLU A 332 12.975 -5.117 -2.526 1.00 31.41 H new ATOM 0 HG3 GLU A 332 12.059 -4.823 -3.991 1.00 31.41 H new ATOM 534 N PRO A 333 8.881 -7.285 -4.237 1.00 43.41 N ATOM 535 CA PRO A 333 7.934 -6.693 -5.146 1.00 0.21 C ATOM 536 C PRO A 333 8.105 -5.204 -4.951 1.00 55.03 C ATOM 537 O PRO A 333 7.936 -4.698 -3.837 1.00 73.34 O ATOM 538 CB PRO A 333 6.554 -7.161 -4.644 1.00 53.41 C ATOM 539 CG PRO A 333 6.779 -7.597 -3.184 1.00 33.34 C ATOM 540 CD PRO A 333 8.276 -7.926 -3.057 1.00 61.22 C ATOM 0 HA PRO A 333 8.055 -6.955 -6.197 1.00 0.21 H new ATOM 0 HB2 PRO A 333 5.820 -6.358 -4.706 1.00 53.41 H new ATOM 0 HB3 PRO A 333 6.175 -7.986 -5.247 1.00 53.41 H new ATOM 0 HG2 PRO A 333 6.496 -6.803 -2.493 1.00 33.34 H new ATOM 0 HG3 PRO A 333 6.168 -8.466 -2.939 1.00 33.34 H new ATOM 0 HD2 PRO A 333 8.694 -7.533 -2.130 1.00 61.22 H new ATOM 0 HD3 PRO A 333 8.450 -9.002 -3.054 1.00 61.22 H new ATOM 548 N LYS A 334 8.462 -4.480 -6.003 1.00 63.34 N ATOM 549 CA LYS A 334 8.811 -3.097 -5.822 1.00 42.33 C ATOM 550 C LYS A 334 7.618 -2.252 -6.001 1.00 74.32 C ATOM 551 O LYS A 334 6.672 -2.609 -6.708 1.00 41.42 O ATOM 552 CB LYS A 334 9.918 -2.619 -6.773 1.00 1.23 C ATOM 553 CG LYS A 334 11.308 -3.084 -6.343 1.00 33.31 C ATOM 554 CD LYS A 334 12.134 -3.638 -7.486 1.00 65.11 C ATOM 555 CE LYS A 334 12.033 -5.151 -7.607 1.00 3.41 C ATOM 556 NZ LYS A 334 12.867 -5.628 -8.729 1.00 42.02 N ATOM 0 H LYS A 334 8.514 -4.824 -6.962 1.00 63.34 H new ATOM 0 HA LYS A 334 9.199 -3.007 -4.808 1.00 42.33 H new ATOM 0 HB2 LYS A 334 9.711 -2.987 -7.778 1.00 1.23 H new ATOM 0 HB3 LYS A 334 9.903 -1.530 -6.823 1.00 1.23 H new ATOM 0 HG2 LYS A 334 11.840 -2.247 -5.892 1.00 33.31 H new ATOM 0 HG3 LYS A 334 11.206 -3.849 -5.573 1.00 33.31 H new ATOM 0 HD2 LYS A 334 11.807 -3.181 -8.420 1.00 65.11 H new ATOM 0 HD3 LYS A 334 13.178 -3.358 -7.343 1.00 65.11 H new ATOM 0 HE2 LYS A 334 12.357 -5.620 -6.678 1.00 3.41 H new ATOM 0 HE3 LYS A 334 10.995 -5.442 -7.766 1.00 3.41 H new ATOM 0 HZ1 LYS A 334 12.941 -6.665 -8.690 1.00 42.02 H new ATOM 0 HZ2 LYS A 334 12.431 -5.346 -9.630 1.00 42.02 H new ATOM 0 HZ3 LYS A 334 13.817 -5.210 -8.658 1.00 42.02 H new ATOM 570 N LYS A 335 7.652 -1.101 -5.337 1.00 53.21 N ATOM 571 CA LYS A 335 6.592 -0.166 -5.389 1.00 2.12 C ATOM 572 C LYS A 335 7.137 1.038 -6.061 1.00 32.14 C ATOM 573 O LYS A 335 8.333 1.293 -6.052 1.00 5.11 O ATOM 574 CB LYS A 335 6.077 0.271 -3.991 1.00 11.43 C ATOM 575 CG LYS A 335 5.780 -0.900 -3.046 1.00 64.11 C ATOM 576 CD LYS A 335 4.424 -1.565 -3.319 1.00 32.13 C ATOM 577 CE LYS A 335 4.525 -3.049 -3.683 1.00 3.03 C ATOM 578 NZ LYS A 335 5.374 -3.777 -2.708 1.00 3.33 N ATOM 0 H LYS A 335 8.434 -0.811 -4.749 1.00 53.21 H new ATOM 0 HA LYS A 335 5.752 -0.629 -5.907 1.00 2.12 H new ATOM 0 HB2 LYS A 335 6.820 0.920 -3.527 1.00 11.43 H new ATOM 0 HB3 LYS A 335 5.170 0.863 -4.117 1.00 11.43 H new ATOM 0 HG2 LYS A 335 6.569 -1.646 -3.142 1.00 64.11 H new ATOM 0 HG3 LYS A 335 5.802 -0.543 -2.016 1.00 64.11 H new ATOM 0 HD2 LYS A 335 3.794 -1.459 -2.436 1.00 32.13 H new ATOM 0 HD3 LYS A 335 3.927 -1.034 -4.131 1.00 32.13 H new ATOM 0 HE2 LYS A 335 3.529 -3.491 -3.705 1.00 3.03 H new ATOM 0 HE3 LYS A 335 4.942 -3.154 -4.684 1.00 3.03 H new ATOM 0 HZ1 LYS A 335 4.895 -4.653 -2.417 1.00 3.33 H new ATOM 0 HZ2 LYS A 335 6.286 -4.011 -3.149 1.00 3.33 H new ATOM 0 HZ3 LYS A 335 5.536 -3.178 -1.874 1.00 3.33 H new ATOM 592 N CYS A 336 6.250 1.782 -6.709 1.00 61.41 N ATOM 593 CA CYS A 336 6.580 3.047 -7.325 1.00 71.43 C ATOM 594 C CYS A 336 7.077 3.957 -6.219 1.00 61.25 C ATOM 595 O CYS A 336 6.313 4.308 -5.373 1.00 34.14 O ATOM 596 CB CYS A 336 5.327 3.717 -7.933 1.00 32.33 C ATOM 597 SG CYS A 336 5.697 4.757 -9.379 1.00 64.11 S ATOM 0 H CYS A 336 5.272 1.515 -6.819 1.00 61.41 H new ATOM 0 HA CYS A 336 7.315 2.883 -8.113 1.00 71.43 H new ATOM 0 HB2 CYS A 336 4.615 2.944 -8.223 1.00 32.33 H new ATOM 0 HB3 CYS A 336 4.843 4.327 -7.170 1.00 32.33 H new ATOM 602 N PRO A 337 8.309 4.412 -6.270 1.00 34.42 N ATOM 603 CA PRO A 337 8.859 5.263 -5.192 1.00 21.33 C ATOM 604 C PRO A 337 8.122 6.570 -5.011 1.00 73.22 C ATOM 605 O PRO A 337 8.186 7.197 -3.969 1.00 63.54 O ATOM 606 CB PRO A 337 10.319 5.527 -5.611 1.00 45.24 C ATOM 607 CG PRO A 337 10.379 5.174 -7.095 1.00 3.53 C ATOM 608 CD PRO A 337 9.288 4.137 -7.329 1.00 43.01 C ATOM 0 HA PRO A 337 8.763 4.760 -4.230 1.00 21.33 H new ATOM 0 HB2 PRO A 337 10.595 6.568 -5.442 1.00 45.24 H new ATOM 0 HB3 PRO A 337 11.012 4.916 -5.032 1.00 45.24 H new ATOM 0 HG2 PRO A 337 10.215 6.057 -7.712 1.00 3.53 H new ATOM 0 HG3 PRO A 337 11.358 4.776 -7.361 1.00 3.53 H new ATOM 0 HD2 PRO A 337 8.845 4.239 -8.320 1.00 43.01 H new ATOM 0 HD3 PRO A 337 9.679 3.122 -7.258 1.00 43.01 H new ATOM 616 N ILE A 338 7.387 6.996 -6.055 1.00 63.43 N ATOM 617 CA ILE A 338 6.700 8.250 -5.998 1.00 31.43 C ATOM 618 C ILE A 338 5.277 8.033 -5.515 1.00 42.52 C ATOM 619 O ILE A 338 4.750 8.861 -4.799 1.00 3.14 O ATOM 620 CB ILE A 338 6.613 8.963 -7.349 1.00 53.34 C ATOM 621 CG1 ILE A 338 7.783 8.600 -8.287 1.00 0.02 C ATOM 622 CG2 ILE A 338 6.547 10.473 -7.103 1.00 15.10 C ATOM 623 CD1 ILE A 338 9.114 9.204 -7.855 1.00 54.23 C ATOM 0 H ILE A 338 7.269 6.481 -6.927 1.00 63.43 H new ATOM 0 HA ILE A 338 7.279 8.873 -5.317 1.00 31.43 H new ATOM 0 HB ILE A 338 5.709 8.630 -7.859 1.00 53.34 H new ATOM 0 HG12 ILE A 338 7.881 7.515 -8.330 1.00 0.02 H new ATOM 0 HG13 ILE A 338 7.549 8.939 -9.296 1.00 0.02 H new ATOM 0 HG21 ILE A 338 6.485 10.995 -8.058 1.00 15.10 H new ATOM 0 HG22 ILE A 338 5.667 10.706 -6.504 1.00 15.10 H new ATOM 0 HG23 ILE A 338 7.443 10.795 -6.572 1.00 15.10 H new ATOM 0 HD11 ILE A 338 9.893 8.909 -8.558 1.00 54.23 H new ATOM 0 HD12 ILE A 338 9.032 10.291 -7.839 1.00 54.23 H new ATOM 0 HD13 ILE A 338 9.370 8.845 -6.858 1.00 54.23 H new ATOM 635 N CYS A 339 4.624 6.892 -5.895 1.00 23.50 N ATOM 636 CA CYS A 339 3.178 6.792 -5.646 1.00 62.11 C ATOM 637 C CYS A 339 2.826 5.524 -4.884 1.00 22.20 C ATOM 638 O CYS A 339 1.678 5.285 -4.596 1.00 44.02 O ATOM 639 CB CYS A 339 2.333 6.884 -6.967 1.00 74.34 C ATOM 640 SG CYS A 339 2.377 5.371 -7.972 1.00 23.45 S ATOM 0 H CYS A 339 5.055 6.085 -6.345 1.00 23.50 H new ATOM 0 HA CYS A 339 2.918 7.651 -5.028 1.00 62.11 H new ATOM 0 HB2 CYS A 339 1.298 7.109 -6.710 1.00 74.34 H new ATOM 0 HB3 CYS A 339 2.701 7.717 -7.565 1.00 74.34 H new ATOM 645 N ARG A 340 3.819 4.662 -4.629 1.00 0.23 N ATOM 646 CA ARG A 340 3.647 3.428 -3.846 1.00 44.01 C ATOM 647 C ARG A 340 2.773 2.383 -4.536 1.00 41.33 C ATOM 648 O ARG A 340 2.388 1.409 -3.918 1.00 40.31 O ATOM 649 CB ARG A 340 3.187 3.626 -2.381 1.00 2.21 C ATOM 650 CG ARG A 340 4.127 4.535 -1.573 1.00 62.24 C ATOM 651 CD ARG A 340 5.554 3.959 -1.405 1.00 24.30 C ATOM 652 NE ARG A 340 6.498 5.110 -1.267 1.00 41.44 N ATOM 653 CZ ARG A 340 7.854 4.907 -1.256 1.00 5.34 C ATOM 654 NH1 ARG A 340 8.374 3.634 -1.317 1.00 52.12 N ATOM 655 NH2 ARG A 340 8.693 5.984 -1.190 1.00 23.13 N ATOM 0 H ARG A 340 4.773 4.801 -4.962 1.00 0.23 H new ATOM 0 HA ARG A 340 4.667 3.046 -3.795 1.00 44.01 H new ATOM 0 HB2 ARG A 340 2.184 4.053 -2.376 1.00 2.21 H new ATOM 0 HB3 ARG A 340 3.122 2.654 -1.892 1.00 2.21 H new ATOM 0 HG2 ARG A 340 4.192 5.506 -2.065 1.00 62.24 H new ATOM 0 HG3 ARG A 340 3.695 4.706 -0.587 1.00 62.24 H new ATOM 0 HD2 ARG A 340 5.605 3.316 -0.527 1.00 24.30 H new ATOM 0 HD3 ARG A 340 5.822 3.346 -2.265 1.00 24.30 H new ATOM 0 HE ARG A 340 6.129 6.057 -1.180 1.00 41.44 H new ATOM 0 HH11 ARG A 340 7.749 2.830 -1.371 1.00 52.12 H new ATOM 0 HH12 ARG A 340 9.384 3.495 -1.308 1.00 52.12 H new ATOM 0 HH21 ARG A 340 8.309 6.928 -1.149 1.00 23.13 H new ATOM 0 HH22 ARG A 340 9.703 5.844 -1.181 1.00 23.13 H new ATOM 669 N GLN A 341 2.445 2.553 -5.837 1.00 53.15 N ATOM 670 CA GLN A 341 1.708 1.499 -6.553 1.00 53.13 C ATOM 671 C GLN A 341 2.698 0.442 -6.874 1.00 72.12 C ATOM 672 O GLN A 341 3.846 0.761 -7.147 1.00 65.32 O ATOM 673 CB GLN A 341 1.167 1.942 -7.913 1.00 23.21 C ATOM 674 CG GLN A 341 -0.063 2.826 -7.852 1.00 72.31 C ATOM 675 CD GLN A 341 -0.197 3.505 -9.209 1.00 1.15 C ATOM 676 OE1 GLN A 341 0.828 3.792 -9.877 1.00 63.43 O ATOM 677 NE2 GLN A 341 -1.434 3.775 -9.635 1.00 64.15 N ATOM 0 H GLN A 341 2.671 3.379 -6.391 1.00 53.15 H new ATOM 0 HA GLN A 341 0.874 1.199 -5.919 1.00 53.13 H new ATOM 0 HB2 GLN A 341 1.955 2.476 -8.445 1.00 23.21 H new ATOM 0 HB3 GLN A 341 0.930 1.055 -8.500 1.00 23.21 H new ATOM 0 HG2 GLN A 341 -0.951 2.235 -7.628 1.00 72.31 H new ATOM 0 HG3 GLN A 341 0.035 3.567 -7.059 1.00 72.31 H new ATOM 0 HE21 GLN A 341 -2.238 3.524 -9.059 1.00 64.15 H new ATOM 0 HE22 GLN A 341 -1.575 4.232 -10.536 1.00 64.15 H new ATOM 686 N ALA A 342 2.269 -0.831 -6.845 1.00 72.33 N ATOM 687 CA ALA A 342 3.119 -1.949 -7.238 1.00 40.11 C ATOM 688 C ALA A 342 3.517 -1.770 -8.688 1.00 22.54 C ATOM 689 O ALA A 342 2.797 -1.151 -9.485 1.00 31.10 O ATOM 690 CB ALA A 342 2.432 -3.314 -7.100 1.00 13.42 C ATOM 0 H ALA A 342 1.331 -1.104 -6.550 1.00 72.33 H new ATOM 0 HA ALA A 342 3.979 -1.944 -6.568 1.00 40.11 H new ATOM 0 HB1 ALA A 342 3.120 -4.101 -7.409 1.00 13.42 H new ATOM 0 HB2 ALA A 342 2.143 -3.472 -6.061 1.00 13.42 H new ATOM 0 HB3 ALA A 342 1.544 -3.340 -7.732 1.00 13.42 H new ATOM 696 N ILE A 343 4.683 -2.310 -9.046 1.00 72.15 N ATOM 697 CA ILE A 343 5.193 -2.201 -10.380 1.00 61.45 C ATOM 698 C ILE A 343 4.689 -3.381 -11.159 1.00 71.34 C ATOM 699 O ILE A 343 4.837 -4.528 -10.745 1.00 40.31 O ATOM 700 CB ILE A 343 6.709 -2.150 -10.405 1.00 13.03 C ATOM 701 CG1 ILE A 343 7.194 -0.906 -9.646 1.00 23.30 C ATOM 702 CG2 ILE A 343 7.218 -2.156 -11.862 1.00 44.44 C ATOM 703 CD1 ILE A 343 8.662 -0.927 -9.334 1.00 45.33 C ATOM 0 H ILE A 343 5.286 -2.830 -8.409 1.00 72.15 H new ATOM 0 HA ILE A 343 4.847 -1.268 -10.826 1.00 61.45 H new ATOM 0 HB ILE A 343 7.113 -3.033 -9.910 1.00 13.03 H new ATOM 0 HG12 ILE A 343 6.970 -0.019 -10.238 1.00 23.30 H new ATOM 0 HG13 ILE A 343 6.634 -0.818 -8.715 1.00 23.30 H new ATOM 0 HG21 ILE A 343 8.307 -2.119 -11.867 1.00 44.44 H new ATOM 0 HG22 ILE A 343 6.883 -3.066 -12.361 1.00 44.44 H new ATOM 0 HG23 ILE A 343 6.823 -1.287 -12.389 1.00 44.44 H new ATOM 0 HD11 ILE A 343 8.933 -0.018 -8.798 1.00 45.33 H new ATOM 0 HD12 ILE A 343 8.890 -1.795 -8.715 1.00 45.33 H new ATOM 0 HD13 ILE A 343 9.230 -0.984 -10.262 1.00 45.33 H new ATOM 715 N THR A 344 4.080 -3.100 -12.327 1.00 34.40 N ATOM 716 CA THR A 344 3.531 -4.131 -13.159 1.00 43.12 C ATOM 717 C THR A 344 4.556 -4.446 -14.247 1.00 75.41 C ATOM 718 O THR A 344 4.649 -5.580 -14.719 1.00 13.44 O ATOM 719 CB THR A 344 2.185 -3.696 -13.742 1.00 21.25 C ATOM 720 OG1 THR A 344 1.146 -3.917 -12.783 1.00 55.15 O ATOM 721 CG2 THR A 344 1.857 -4.418 -15.053 1.00 63.24 C ATOM 0 H THR A 344 3.967 -2.156 -12.697 1.00 34.40 H new ATOM 0 HA THR A 344 3.334 -5.032 -12.579 1.00 43.12 H new ATOM 0 HB THR A 344 2.256 -2.633 -13.971 1.00 21.25 H new ATOM 0 HG1 THR A 344 0.287 -3.635 -13.161 1.00 55.15 H new ATOM 0 HG21 THR A 344 0.892 -4.074 -15.426 1.00 63.24 H new ATOM 0 HG22 THR A 344 2.629 -4.201 -15.791 1.00 63.24 H new ATOM 0 HG23 THR A 344 1.816 -5.493 -14.876 1.00 63.24 H new ATOM 729 N ARG A 345 5.374 -3.462 -14.632 1.00 24.51 N ATOM 730 CA ARG A 345 6.389 -3.729 -15.635 1.00 0.13 C ATOM 731 C ARG A 345 7.363 -2.622 -15.566 1.00 24.52 C ATOM 732 O ARG A 345 7.073 -1.578 -14.997 1.00 52.01 O ATOM 733 CB ARG A 345 5.836 -3.802 -17.088 1.00 40.52 C ATOM 734 CG ARG A 345 6.585 -4.776 -18.001 1.00 75.14 C ATOM 735 CD ARG A 345 6.781 -4.212 -19.410 1.00 64.11 C ATOM 736 NE ARG A 345 7.480 -5.241 -20.231 1.00 73.23 N ATOM 737 CZ ARG A 345 7.449 -5.173 -21.601 1.00 42.14 C ATOM 738 NH1 ARG A 345 6.798 -4.135 -22.230 1.00 41.43 N ATOM 739 NH2 ARG A 345 8.076 -6.137 -22.338 1.00 4.44 N ATOM 0 H ARG A 345 5.351 -2.507 -14.275 1.00 24.51 H new ATOM 0 HA ARG A 345 6.823 -4.705 -15.419 1.00 0.13 H new ATOM 0 HB2 ARG A 345 4.786 -4.093 -17.050 1.00 40.52 H new ATOM 0 HB3 ARG A 345 5.875 -2.806 -17.529 1.00 40.52 H new ATOM 0 HG2 ARG A 345 7.557 -5.006 -17.565 1.00 75.14 H new ATOM 0 HG3 ARG A 345 6.033 -5.714 -18.060 1.00 75.14 H new ATOM 0 HD2 ARG A 345 5.819 -3.960 -19.856 1.00 64.11 H new ATOM 0 HD3 ARG A 345 7.366 -3.293 -19.374 1.00 64.11 H new ATOM 0 HE ARG A 345 7.984 -6.000 -19.772 1.00 73.23 H new ATOM 0 HH11 ARG A 345 6.336 -3.413 -21.677 1.00 41.43 H new ATOM 0 HH12 ARG A 345 6.778 -4.088 -23.249 1.00 41.43 H new ATOM 0 HH21 ARG A 345 8.563 -6.901 -21.869 1.00 4.44 H new ATOM 0 HH22 ARG A 345 8.057 -6.093 -23.357 1.00 4.44 H new ATOM 753 N VAL A 346 8.562 -2.841 -16.118 1.00 34.30 N ATOM 754 CA VAL A 346 9.548 -1.815 -16.174 1.00 20.22 C ATOM 755 C VAL A 346 9.944 -1.684 -17.617 1.00 64.23 C ATOM 756 O VAL A 346 10.235 -2.679 -18.302 1.00 41.44 O ATOM 757 CB VAL A 346 10.779 -2.081 -15.291 1.00 22.53 C ATOM 758 CG1 VAL A 346 11.559 -3.322 -15.780 1.00 40.31 C ATOM 759 CG2 VAL A 346 11.651 -0.818 -15.241 1.00 44.52 C ATOM 0 H VAL A 346 8.850 -3.730 -16.527 1.00 34.30 H new ATOM 0 HA VAL A 346 9.123 -0.893 -15.777 1.00 20.22 H new ATOM 0 HB VAL A 346 10.457 -2.309 -14.275 1.00 22.53 H new ATOM 0 HG11 VAL A 346 12.424 -3.485 -15.137 1.00 40.31 H new ATOM 0 HG12 VAL A 346 10.910 -4.197 -15.744 1.00 40.31 H new ATOM 0 HG13 VAL A 346 11.894 -3.161 -16.804 1.00 40.31 H new ATOM 0 HG21 VAL A 346 12.524 -1.003 -14.616 1.00 44.52 H new ATOM 0 HG22 VAL A 346 11.975 -0.559 -16.249 1.00 44.52 H new ATOM 0 HG23 VAL A 346 11.074 0.006 -14.823 1.00 44.52 H new ATOM 769 N ILE A 347 9.872 -0.454 -18.120 1.00 42.12 N ATOM 770 CA ILE A 347 10.271 -0.150 -19.455 1.00 60.23 C ATOM 771 C ILE A 347 11.602 0.538 -19.320 1.00 63.13 C ATOM 772 O ILE A 347 11.679 1.651 -18.782 1.00 53.02 O ATOM 773 CB ILE A 347 9.304 0.812 -20.143 1.00 15.40 C ATOM 774 CG1 ILE A 347 7.847 0.324 -20.000 1.00 12.44 C ATOM 775 CG2 ILE A 347 9.706 0.963 -21.617 1.00 1.03 C ATOM 776 CD1 ILE A 347 7.024 1.181 -19.060 1.00 60.32 C ATOM 0 H ILE A 347 9.531 0.351 -17.595 1.00 42.12 H new ATOM 0 HA ILE A 347 10.300 -1.060 -20.054 1.00 60.23 H new ATOM 0 HB ILE A 347 9.361 1.789 -19.662 1.00 15.40 H new ATOM 0 HG12 ILE A 347 7.375 0.316 -20.982 1.00 12.44 H new ATOM 0 HG13 ILE A 347 7.848 -0.704 -19.638 1.00 12.44 H new ATOM 0 HG21 ILE A 347 9.019 1.649 -22.113 1.00 1.03 H new ATOM 0 HG22 ILE A 347 10.720 1.357 -21.679 1.00 1.03 H new ATOM 0 HG23 ILE A 347 9.665 -0.010 -22.107 1.00 1.03 H new ATOM 0 HD11 ILE A 347 6.010 0.786 -19.002 1.00 60.32 H new ATOM 0 HD12 ILE A 347 7.475 1.169 -18.068 1.00 60.32 H new ATOM 0 HD13 ILE A 347 6.994 2.205 -19.433 1.00 60.32 H new ATOM 788 N PRO A 348 12.680 -0.110 -19.765 1.00 41.14 N ATOM 789 CA PRO A 348 13.992 0.495 -19.702 1.00 43.13 C ATOM 790 C PRO A 348 14.167 1.500 -20.790 1.00 35.30 C ATOM 791 O PRO A 348 13.703 1.298 -21.913 1.00 25.30 O ATOM 792 CB PRO A 348 14.964 -0.679 -19.889 1.00 53.14 C ATOM 793 CG PRO A 348 14.185 -1.674 -20.741 1.00 51.43 C ATOM 794 CD PRO A 348 12.717 -1.472 -20.354 1.00 51.21 C ATOM 0 HA PRO A 348 14.156 1.028 -18.765 1.00 43.13 H new ATOM 0 HB2 PRO A 348 15.881 -0.362 -20.385 1.00 53.14 H new ATOM 0 HB3 PRO A 348 15.253 -1.114 -18.932 1.00 53.14 H new ATOM 0 HG2 PRO A 348 14.341 -1.489 -21.804 1.00 51.43 H new ATOM 0 HG3 PRO A 348 14.507 -2.697 -20.545 1.00 51.43 H new ATOM 0 HD2 PRO A 348 12.062 -1.548 -21.222 1.00 51.21 H new ATOM 0 HD3 PRO A 348 12.387 -2.225 -19.638 1.00 51.21 H new ATOM 802 N LEU A 349 14.824 2.598 -20.477 1.00 53.12 N ATOM 803 CA LEU A 349 15.046 3.627 -21.433 1.00 21.10 C ATOM 804 C LEU A 349 16.506 3.682 -21.560 1.00 60.53 C ATOM 805 O LEU A 349 17.171 4.273 -20.723 1.00 41.33 O ATOM 806 CB LEU A 349 14.550 5.021 -20.979 1.00 23.30 C ATOM 807 CG LEU A 349 13.044 5.075 -20.682 1.00 64.42 C ATOM 808 CD1 LEU A 349 12.614 6.447 -20.163 1.00 32.20 C ATOM 809 CD2 LEU A 349 12.185 4.622 -21.874 1.00 2.21 C ATOM 0 H LEU A 349 15.212 2.788 -19.553 1.00 53.12 H new ATOM 0 HA LEU A 349 14.504 3.403 -22.352 1.00 21.10 H new ATOM 0 HB2 LEU A 349 15.098 5.318 -20.085 1.00 23.30 H new ATOM 0 HB3 LEU A 349 14.785 5.750 -21.754 1.00 23.30 H new ATOM 0 HG LEU A 349 12.866 4.355 -19.884 1.00 64.42 H new ATOM 0 HD11 LEU A 349 11.542 6.442 -19.966 1.00 32.20 H new ATOM 0 HD12 LEU A 349 13.151 6.672 -19.242 1.00 32.20 H new ATOM 0 HD13 LEU A 349 12.841 7.207 -20.911 1.00 32.20 H new ATOM 0 HD21 LEU A 349 11.130 4.681 -21.606 1.00 2.21 H new ATOM 0 HD22 LEU A 349 12.379 5.270 -22.729 1.00 2.21 H new ATOM 0 HD23 LEU A 349 12.436 3.594 -22.133 1.00 2.21 H new ATOM 821 N TYR A 350 17.074 3.069 -22.599 1.00 0.44 N ATOM 822 CA TYR A 350 18.501 3.132 -22.724 1.00 72.32 C ATOM 823 C TYR A 350 18.761 4.340 -23.543 1.00 45.21 C ATOM 824 O TYR A 350 18.667 4.319 -24.781 1.00 60.21 O ATOM 825 CB TYR A 350 19.114 1.896 -23.441 1.00 4.41 C ATOM 826 CG TYR A 350 18.827 0.580 -22.754 1.00 12.51 C ATOM 827 CD1 TYR A 350 18.376 -0.512 -23.474 1.00 71.23 C ATOM 828 CD2 TYR A 350 19.015 0.439 -21.387 1.00 43.54 C ATOM 829 CE1 TYR A 350 18.122 -1.708 -22.846 1.00 4.31 C ATOM 830 CE2 TYR A 350 18.756 -0.759 -20.766 1.00 43.21 C ATOM 831 CZ TYR A 350 18.311 -1.831 -21.493 1.00 41.13 C ATOM 832 OH TYR A 350 18.062 -3.069 -20.846 1.00 34.11 O ATOM 0 H TYR A 350 16.582 2.550 -23.327 1.00 0.44 H new ATOM 0 HA TYR A 350 18.956 3.158 -21.734 1.00 72.32 H new ATOM 0 HB2 TYR A 350 18.730 1.853 -24.460 1.00 4.41 H new ATOM 0 HB3 TYR A 350 20.194 2.029 -23.512 1.00 4.41 H new ATOM 0 HD1 TYR A 350 18.222 -0.424 -24.539 1.00 71.23 H new ATOM 0 HD2 TYR A 350 19.368 1.278 -20.806 1.00 43.54 H new ATOM 0 HE1 TYR A 350 17.772 -2.554 -23.420 1.00 4.31 H new ATOM 0 HE2 TYR A 350 18.904 -0.856 -19.701 1.00 43.21 H new ATOM 0 HH TYR A 350 18.248 -2.981 -19.888 1.00 34.11 H new ATOM 842 N ASN A 351 19.066 5.435 -22.853 1.00 24.45 N ATOM 843 CA ASN A 351 19.349 6.680 -23.476 1.00 20.31 C ATOM 844 C ASN A 351 20.127 7.395 -22.454 1.00 73.13 C ATOM 845 O ASN A 351 19.854 7.252 -21.270 1.00 32.42 O ATOM 846 CB ASN A 351 18.081 7.517 -23.796 1.00 63.41 C ATOM 847 CG ASN A 351 17.690 7.418 -25.260 1.00 2.31 C ATOM 848 OD1 ASN A 351 18.349 8.000 -26.120 1.00 43.02 O ATOM 849 ND2 ASN A 351 16.619 6.657 -25.570 1.00 13.00 N ATOM 0 H ASN A 351 19.119 5.461 -21.835 1.00 24.45 H new ATOM 0 HA ASN A 351 19.850 6.526 -24.432 1.00 20.31 H new ATOM 0 HB2 ASN A 351 17.253 7.173 -23.175 1.00 63.41 H new ATOM 0 HB3 ASN A 351 18.261 8.561 -23.538 1.00 63.41 H new ATOM 0 HD21 ASN A 351 16.334 6.551 -26.543 1.00 13.00 H new ATOM 0 HD22 ASN A 351 16.095 6.188 -24.831 1.00 13.00 H new ATOM 856 N SER A 352 21.105 8.180 -22.858 1.00 51.13 N ATOM 857 CA SER A 352 21.879 8.912 -21.882 1.00 4.42 C ATOM 858 C SER A 352 21.114 10.217 -21.560 1.00 21.35 C ATOM 859 O SER A 352 20.119 10.539 -22.292 1.00 0.00 O ATOM 860 CB SER A 352 23.290 9.280 -22.387 1.00 40.32 C ATOM 861 OG SER A 352 23.847 8.188 -23.139 1.00 71.31 O ATOM 862 OXT SER A 352 21.510 10.911 -20.586 1.00 0.00 O ATOM 0 H SER A 352 21.377 8.325 -23.830 1.00 51.13 H new ATOM 0 HA SER A 352 22.007 8.277 -21.005 1.00 4.42 H new ATOM 0 HB2 SER A 352 23.240 10.173 -23.010 1.00 40.32 H new ATOM 0 HB3 SER A 352 23.937 9.517 -21.542 1.00 40.32 H new ATOM 0 HG SER A 352 24.741 8.432 -23.456 1.00 71.31 H new TER 868 SER A 352 HETATM 869 ZN ZN A 500 19.228 3.921 -9.036 1.00 0.00 ZN HETATM 870 ZN ZN A 501 3.694 5.872 -9.860 1.00 0.00 ZN