USER MOD reduce.3.24.130724 H: found=0, std=0, add=361, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 354 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 302 CYS SG : rot 164:sc= 0.975 USER MOD Set 1.2: A 305 CYS SG : rot -67:sc= 1.65 USER MOD Set 1.3: A 307 SER OG : rot 48:sc= 0.379 USER MOD Set 1.4: A 308 SER OG : rot 10:sc= 1.23 USER MOD Set 1.5: A 323 CYS SG : rot -173:sc= 1.38 USER MOD Set 1.6: A 326 CYS SG : rot 145:sc= 0.182 USER MOD Set 2.1: A 317 CYS SG : rot -96:sc= 1.88 USER MOD Set 2.2: A 319 HIS : no HE2:sc= -1.23 K(o=-0.91,f=-1.9) USER MOD Set 2.3: A 336 CYS SG : rot 146:sc= 0.0589 USER MOD Set 2.4: A 339 CYS SG : rot 165:sc= -0.762 USER MOD Set 2.5: A 341 GLN : amide:sc= -0.858 K(o=-0.91,f=-7.5!) USER MOD Set 3.1: A 311 SER OG : rot 180:sc= -0.206 USER MOD Set 3.2: A 312 CYS SG : rot 23:sc= 0.129 USER MOD Set 3.3: A 324 THR OG1 : rot 91:sc= 0.0728 USER MOD Set 4.1: A 300 SER OG : rot 21:sc= 0.296 USER MOD Set 4.2: A 310 LYS NZ :NH3+ -109:sc= -0.0987 (180deg=-0.337) USER MOD Single : A 321 CYS SG : rot 80:sc= -0.711 USER MOD Single : A 322 SER OG : rot 180:sc= 0.13 USER MOD Single : A 327 TYR OH : rot 180:sc= 0 USER MOD Single : A 334 LYS NZ :NH3+ -174:sc= 0.696 (180deg=0.68) USER MOD Single : A 335 LYS NZ :NH3+ 136:sc= 0.36 (180deg=-0.995) USER MOD Single : A 344 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 62 N SER A 300 16.584 12.166 -15.142 1.00 3.12 N ATOM 63 CA SER A 300 16.600 13.009 -13.985 1.00 12.04 C ATOM 64 C SER A 300 17.235 12.107 -12.985 1.00 55.23 C ATOM 65 O SER A 300 17.510 10.958 -13.314 1.00 3.53 O ATOM 66 CB SER A 300 15.199 13.438 -13.457 1.00 32.21 C ATOM 67 OG SER A 300 14.335 13.783 -14.547 1.00 2.40 O ATOM 0 HA SER A 300 17.099 13.956 -14.194 1.00 12.04 H new ATOM 0 HB2 SER A 300 14.758 12.626 -12.879 1.00 32.21 H new ATOM 0 HB3 SER A 300 15.303 14.289 -12.784 1.00 32.21 H new ATOM 0 HG SER A 300 14.668 13.371 -15.372 1.00 2.40 H new ATOM 73 N ALA A 301 17.466 12.563 -11.751 1.00 41.01 N ATOM 74 CA ALA A 301 18.144 11.728 -10.764 1.00 13.55 C ATOM 75 C ALA A 301 17.239 10.575 -10.365 1.00 40.31 C ATOM 76 O ALA A 301 16.080 10.778 -9.995 1.00 4.35 O ATOM 77 CB ALA A 301 18.525 12.494 -9.475 1.00 62.14 C ATOM 0 H ALA A 301 17.198 13.489 -11.418 1.00 41.01 H new ATOM 0 HA ALA A 301 19.062 11.380 -11.238 1.00 13.55 H new ATOM 0 HB1 ALA A 301 19.025 11.816 -8.783 1.00 62.14 H new ATOM 0 HB2 ALA A 301 19.195 13.317 -9.725 1.00 62.14 H new ATOM 0 HB3 ALA A 301 17.624 12.890 -9.007 1.00 62.14 H new ATOM 83 N CYS A 302 17.775 9.307 -10.483 1.00 65.22 N ATOM 84 CA CYS A 302 17.076 8.077 -10.029 1.00 52.23 C ATOM 85 C CYS A 302 16.740 8.302 -8.580 1.00 22.22 C ATOM 86 O CYS A 302 17.631 8.331 -7.776 1.00 13.50 O ATOM 87 CB CYS A 302 18.012 6.808 -10.139 1.00 40.05 C ATOM 88 SG CYS A 302 17.319 5.208 -9.519 1.00 41.41 S ATOM 0 H CYS A 302 18.692 9.127 -10.892 1.00 65.22 H new ATOM 0 HA CYS A 302 16.196 7.894 -10.646 1.00 52.23 H new ATOM 0 HB2 CYS A 302 18.286 6.677 -11.186 1.00 40.05 H new ATOM 0 HB3 CYS A 302 18.932 7.015 -9.592 1.00 40.05 H new ATOM 0 HG CYS A 302 18.030 4.221 -9.977 1.00 41.41 H new ATOM 93 N VAL A 303 15.424 8.281 -8.241 1.00 60.23 N ATOM 94 CA VAL A 303 14.930 8.757 -6.931 1.00 1.53 C ATOM 95 C VAL A 303 15.344 7.826 -5.811 1.00 55.21 C ATOM 96 O VAL A 303 15.217 8.155 -4.634 1.00 64.33 O ATOM 97 CB VAL A 303 13.422 8.904 -6.895 1.00 31.35 C ATOM 98 CG1 VAL A 303 12.991 9.801 -8.061 1.00 0.51 C ATOM 99 CG2 VAL A 303 12.760 7.519 -6.967 1.00 21.51 C ATOM 0 H VAL A 303 14.690 7.938 -8.860 1.00 60.23 H new ATOM 0 HA VAL A 303 15.383 9.738 -6.788 1.00 1.53 H new ATOM 0 HB VAL A 303 13.104 9.368 -5.961 1.00 31.35 H new ATOM 0 HG11 VAL A 303 11.907 9.917 -8.049 1.00 0.51 H new ATOM 0 HG12 VAL A 303 13.462 10.779 -7.961 1.00 0.51 H new ATOM 0 HG13 VAL A 303 13.297 9.346 -9.003 1.00 0.51 H new ATOM 0 HG21 VAL A 303 11.676 7.632 -6.941 1.00 21.51 H new ATOM 0 HG22 VAL A 303 13.051 7.024 -7.894 1.00 21.51 H new ATOM 0 HG23 VAL A 303 13.083 6.917 -6.118 1.00 21.51 H new ATOM 109 N VAL A 304 15.815 6.636 -6.165 1.00 52.44 N ATOM 110 CA VAL A 304 16.183 5.680 -5.164 1.00 52.14 C ATOM 111 C VAL A 304 17.646 5.865 -4.819 1.00 61.13 C ATOM 112 O VAL A 304 17.993 5.971 -3.668 1.00 1.01 O ATOM 113 CB VAL A 304 15.947 4.231 -5.603 1.00 44.11 C ATOM 114 CG1 VAL A 304 15.515 3.412 -4.376 1.00 12.12 C ATOM 115 CG2 VAL A 304 14.870 4.200 -6.716 1.00 53.52 C ATOM 0 H VAL A 304 15.945 6.326 -7.128 1.00 52.44 H new ATOM 0 HA VAL A 304 15.547 5.859 -4.297 1.00 52.14 H new ATOM 0 HB VAL A 304 16.860 3.795 -6.009 1.00 44.11 H new ATOM 0 HG11 VAL A 304 15.343 2.377 -4.672 1.00 12.12 H new ATOM 0 HG12 VAL A 304 16.300 3.448 -3.620 1.00 12.12 H new ATOM 0 HG13 VAL A 304 14.596 3.830 -3.965 1.00 12.12 H new ATOM 0 HG21 VAL A 304 14.701 3.170 -7.030 1.00 53.52 H new ATOM 0 HG22 VAL A 304 13.940 4.621 -6.334 1.00 53.52 H new ATOM 0 HG23 VAL A 304 15.211 4.788 -7.568 1.00 53.52 H new ATOM 125 N CYS A 305 18.539 5.930 -5.836 1.00 63.32 N ATOM 126 CA CYS A 305 19.973 5.959 -5.529 1.00 41.05 C ATOM 127 C CYS A 305 20.475 7.395 -5.468 1.00 43.21 C ATOM 128 O CYS A 305 21.259 7.739 -4.598 1.00 62.24 O ATOM 129 CB CYS A 305 20.853 5.090 -6.498 1.00 12.01 C ATOM 130 SG CYS A 305 20.704 5.530 -8.280 1.00 4.10 S ATOM 0 H CYS A 305 18.300 5.962 -6.827 1.00 63.32 H new ATOM 0 HA CYS A 305 20.083 5.497 -4.548 1.00 41.05 H new ATOM 0 HB2 CYS A 305 21.897 5.185 -6.201 1.00 12.01 H new ATOM 0 HB3 CYS A 305 20.580 4.042 -6.373 1.00 12.01 H new ATOM 0 HG CYS A 305 19.511 5.232 -8.702 1.00 4.10 H new ATOM 135 N LEU A 306 20.079 8.220 -6.482 1.00 53.52 N ATOM 136 CA LEU A 306 20.413 9.657 -6.555 1.00 3.23 C ATOM 137 C LEU A 306 21.835 9.784 -7.039 1.00 5.21 C ATOM 138 O LEU A 306 22.493 10.786 -6.811 1.00 41.44 O ATOM 139 CB LEU A 306 20.239 10.497 -5.236 1.00 40.53 C ATOM 140 CG LEU A 306 18.775 10.669 -4.755 1.00 54.35 C ATOM 141 CD1 LEU A 306 17.826 11.134 -5.857 1.00 61.24 C ATOM 142 CD2 LEU A 306 18.237 9.437 -4.023 1.00 13.34 C ATOM 0 H LEU A 306 19.518 7.896 -7.269 1.00 53.52 H new ATOM 0 HA LEU A 306 19.681 10.085 -7.239 1.00 3.23 H new ATOM 0 HB2 LEU A 306 20.813 10.020 -4.441 1.00 40.53 H new ATOM 0 HB3 LEU A 306 20.672 11.485 -5.393 1.00 40.53 H new ATOM 0 HG LEU A 306 18.813 11.476 -4.024 1.00 54.35 H new ATOM 0 HD11 LEU A 306 16.819 11.234 -5.452 1.00 61.24 H new ATOM 0 HD12 LEU A 306 18.159 12.098 -6.242 1.00 61.24 H new ATOM 0 HD13 LEU A 306 17.821 10.403 -6.665 1.00 61.24 H new ATOM 0 HD21 LEU A 306 17.209 9.619 -3.711 1.00 13.34 H new ATOM 0 HD22 LEU A 306 18.267 8.576 -4.690 1.00 13.34 H new ATOM 0 HD23 LEU A 306 18.852 9.238 -3.145 1.00 13.34 H new ATOM 154 N SER A 307 22.319 8.746 -7.732 1.00 32.34 N ATOM 155 CA SER A 307 23.662 8.745 -8.266 1.00 55.11 C ATOM 156 C SER A 307 23.515 8.677 -9.754 1.00 41.01 C ATOM 157 O SER A 307 23.992 9.538 -10.484 1.00 35.33 O ATOM 158 CB SER A 307 24.483 7.508 -7.802 1.00 0.31 C ATOM 159 OG SER A 307 23.611 6.495 -7.291 1.00 34.14 O ATOM 0 H SER A 307 21.788 7.898 -7.930 1.00 32.34 H new ATOM 0 HA SER A 307 24.191 9.634 -7.921 1.00 55.11 H new ATOM 0 HB2 SER A 307 25.060 7.112 -8.638 1.00 0.31 H new ATOM 0 HB3 SER A 307 25.197 7.804 -7.033 1.00 0.31 H new ATOM 0 HG SER A 307 22.873 6.352 -7.919 1.00 34.14 H new ATOM 165 N SER A 308 22.785 7.650 -10.218 1.00 61.13 N ATOM 166 CA SER A 308 22.599 7.429 -11.631 1.00 35.51 C ATOM 167 C SER A 308 21.294 8.062 -11.980 1.00 24.53 C ATOM 168 O SER A 308 20.421 8.241 -11.092 1.00 72.34 O ATOM 169 CB SER A 308 22.519 5.931 -12.011 1.00 4.12 C ATOM 170 OG SER A 308 21.851 5.171 -10.988 1.00 60.11 O ATOM 0 H SER A 308 22.319 6.967 -9.620 1.00 61.13 H new ATOM 0 HA SER A 308 23.452 7.847 -12.166 1.00 35.51 H new ATOM 0 HB2 SER A 308 21.987 5.820 -12.956 1.00 4.12 H new ATOM 0 HB3 SER A 308 23.524 5.537 -12.163 1.00 4.12 H new ATOM 0 HG SER A 308 21.445 5.783 -10.339 1.00 60.11 H new ATOM 176 N PHE A 309 21.089 8.358 -13.278 1.00 52.35 N ATOM 177 CA PHE A 309 19.853 8.953 -13.720 1.00 15.31 C ATOM 178 C PHE A 309 18.794 7.884 -13.725 1.00 53.04 C ATOM 179 O PHE A 309 19.075 6.697 -13.525 1.00 11.05 O ATOM 180 CB PHE A 309 19.918 9.580 -15.158 1.00 5.01 C ATOM 181 CG PHE A 309 20.684 8.783 -16.196 1.00 44.54 C ATOM 182 CD1 PHE A 309 21.885 9.247 -16.687 1.00 3.12 C ATOM 183 CD2 PHE A 309 20.189 7.584 -16.687 1.00 33.21 C ATOM 184 CE1 PHE A 309 22.575 8.540 -17.638 1.00 54.11 C ATOM 185 CE2 PHE A 309 20.888 6.879 -17.640 1.00 40.42 C ATOM 186 CZ PHE A 309 22.078 7.355 -18.113 1.00 60.35 C ATOM 0 H PHE A 309 21.769 8.189 -14.019 1.00 52.35 H new ATOM 0 HA PHE A 309 19.633 9.768 -13.030 1.00 15.31 H new ATOM 0 HB2 PHE A 309 18.899 9.722 -15.517 1.00 5.01 H new ATOM 0 HB3 PHE A 309 20.370 10.569 -15.082 1.00 5.01 H new ATOM 0 HD1 PHE A 309 22.288 10.179 -16.318 1.00 3.12 H new ATOM 0 HD2 PHE A 309 19.249 7.201 -16.319 1.00 33.21 H new ATOM 0 HE1 PHE A 309 23.514 8.919 -18.014 1.00 54.11 H new ATOM 0 HE2 PHE A 309 20.494 5.946 -18.015 1.00 40.42 H new ATOM 0 HZ PHE A 309 22.625 6.799 -18.859 1.00 60.35 H new ATOM 196 N LYS A 310 17.530 8.305 -13.844 1.00 32.30 N ATOM 197 CA LYS A 310 16.444 7.383 -13.965 1.00 34.31 C ATOM 198 C LYS A 310 16.419 6.908 -15.387 1.00 32.34 C ATOM 199 O LYS A 310 16.388 7.704 -16.331 1.00 3.50 O ATOM 200 CB LYS A 310 15.061 7.978 -13.603 1.00 2.30 C ATOM 201 CG LYS A 310 14.794 9.367 -14.187 1.00 31.25 C ATOM 202 CD LYS A 310 13.520 9.415 -15.016 1.00 21.25 C ATOM 203 CE LYS A 310 12.973 10.823 -15.217 1.00 52.41 C ATOM 204 NZ LYS A 310 12.481 11.372 -13.937 1.00 3.02 N ATOM 0 H LYS A 310 17.254 9.287 -13.857 1.00 32.30 H new ATOM 0 HA LYS A 310 16.614 6.576 -13.252 1.00 34.31 H new ATOM 0 HB2 LYS A 310 14.284 7.297 -13.950 1.00 2.30 H new ATOM 0 HB3 LYS A 310 14.976 8.032 -12.518 1.00 2.30 H new ATOM 0 HG2 LYS A 310 14.723 10.091 -13.376 1.00 31.25 H new ATOM 0 HG3 LYS A 310 15.639 9.665 -14.808 1.00 31.25 H new ATOM 0 HD2 LYS A 310 13.714 8.968 -15.991 1.00 21.25 H new ATOM 0 HD3 LYS A 310 12.758 8.805 -14.531 1.00 21.25 H new ATOM 0 HE2 LYS A 310 13.753 11.469 -15.621 1.00 52.41 H new ATOM 0 HE3 LYS A 310 12.164 10.805 -15.947 1.00 52.41 H new ATOM 0 HZ1 LYS A 310 11.442 11.420 -13.956 1.00 3.02 H new ATOM 0 HZ2 LYS A 310 12.784 10.756 -13.156 1.00 3.02 H new ATOM 0 HZ3 LYS A 310 12.869 12.326 -13.796 1.00 3.02 H new ATOM 218 N SER A 311 16.472 5.598 -15.550 1.00 11.14 N ATOM 219 CA SER A 311 16.509 4.987 -16.832 1.00 22.54 C ATOM 220 C SER A 311 15.429 3.931 -16.842 1.00 32.23 C ATOM 221 O SER A 311 15.581 2.900 -17.469 1.00 4.30 O ATOM 222 CB SER A 311 17.883 4.288 -17.079 1.00 2.43 C ATOM 223 OG SER A 311 18.489 3.918 -15.819 1.00 54.22 O ATOM 0 H SER A 311 16.490 4.935 -14.775 1.00 11.14 H new ATOM 0 HA SER A 311 16.363 5.740 -17.607 1.00 22.54 H new ATOM 0 HB2 SER A 311 17.742 3.401 -17.697 1.00 2.43 H new ATOM 0 HB3 SER A 311 18.546 4.957 -17.627 1.00 2.43 H new ATOM 0 HG SER A 311 19.349 3.479 -15.986 1.00 54.22 H new ATOM 229 N CYS A 312 14.297 4.173 -16.146 1.00 60.44 N ATOM 230 CA CYS A 312 13.252 3.168 -16.114 1.00 23.43 C ATOM 231 C CYS A 312 11.949 3.838 -15.835 1.00 41.45 C ATOM 232 O CYS A 312 11.802 4.603 -14.838 1.00 72.14 O ATOM 233 CB CYS A 312 13.435 2.057 -15.038 1.00 35.42 C ATOM 234 SG CYS A 312 14.533 0.712 -15.576 1.00 32.40 S ATOM 0 H CYS A 312 14.101 5.026 -15.622 1.00 60.44 H new ATOM 0 HA CYS A 312 13.292 2.680 -17.088 1.00 23.43 H new ATOM 0 HB2 CYS A 312 13.837 2.504 -14.129 1.00 35.42 H new ATOM 0 HB3 CYS A 312 12.460 1.642 -14.785 1.00 35.42 H new ATOM 0 HG CYS A 312 15.318 1.143 -16.518 1.00 32.40 H new ATOM 240 N VAL A 313 10.969 3.550 -16.714 1.00 23.14 N ATOM 241 CA VAL A 313 9.623 3.975 -16.541 1.00 42.01 C ATOM 242 C VAL A 313 8.956 2.784 -15.945 1.00 22.21 C ATOM 243 O VAL A 313 9.160 1.656 -16.403 1.00 72.23 O ATOM 244 CB VAL A 313 8.895 4.315 -17.842 1.00 21.50 C ATOM 245 CG1 VAL A 313 7.770 5.323 -17.546 1.00 43.32 C ATOM 246 CG2 VAL A 313 9.900 4.844 -18.885 1.00 23.42 C ATOM 0 H VAL A 313 11.122 3.008 -17.564 1.00 23.14 H new ATOM 0 HA VAL A 313 9.599 4.887 -15.945 1.00 42.01 H new ATOM 0 HB VAL A 313 8.437 3.421 -18.265 1.00 21.50 H new ATOM 0 HG11 VAL A 313 7.248 5.568 -18.471 1.00 43.32 H new ATOM 0 HG12 VAL A 313 7.066 4.885 -16.838 1.00 43.32 H new ATOM 0 HG13 VAL A 313 8.197 6.230 -17.119 1.00 43.32 H new ATOM 0 HG21 VAL A 313 9.373 5.084 -19.809 1.00 23.42 H new ATOM 0 HG22 VAL A 313 10.385 5.741 -18.500 1.00 23.42 H new ATOM 0 HG23 VAL A 313 10.653 4.081 -19.084 1.00 23.42 H new ATOM 256 N PHE A 314 8.182 2.990 -14.901 1.00 53.34 N ATOM 257 CA PHE A 314 7.504 1.900 -14.278 1.00 71.45 C ATOM 258 C PHE A 314 6.136 1.871 -14.852 1.00 24.23 C ATOM 259 O PHE A 314 5.325 2.829 -14.654 1.00 41.12 O ATOM 260 CB PHE A 314 7.424 2.026 -12.745 1.00 11.23 C ATOM 261 CG PHE A 314 8.718 1.683 -12.029 1.00 73.15 C ATOM 262 CD1 PHE A 314 9.606 0.738 -12.549 1.00 13.03 C ATOM 263 CD2 PHE A 314 9.041 2.296 -10.834 1.00 54.02 C ATOM 264 CE1 PHE A 314 10.759 0.429 -11.888 1.00 25.54 C ATOM 265 CE2 PHE A 314 10.209 1.976 -10.182 1.00 54.21 C ATOM 266 CZ PHE A 314 11.060 1.044 -10.709 1.00 0.53 C ATOM 0 H PHE A 314 8.014 3.902 -14.476 1.00 53.34 H new ATOM 0 HA PHE A 314 8.059 0.981 -14.469 1.00 71.45 H new ATOM 0 HB2 PHE A 314 7.139 3.046 -12.489 1.00 11.23 H new ATOM 0 HB3 PHE A 314 6.633 1.372 -12.378 1.00 11.23 H new ATOM 0 HD1 PHE A 314 9.378 0.247 -13.484 1.00 13.03 H new ATOM 0 HD2 PHE A 314 8.373 3.031 -10.409 1.00 54.02 H new ATOM 0 HE1 PHE A 314 11.435 -0.305 -12.300 1.00 25.54 H new ATOM 0 HE2 PHE A 314 10.455 2.463 -9.250 1.00 54.21 H new ATOM 0 HZ PHE A 314 11.973 0.794 -10.190 1.00 0.53 H new ATOM 276 N LEU A 315 5.808 0.764 -15.569 1.00 41.41 N ATOM 277 CA LEU A 315 4.526 0.670 -16.185 1.00 40.44 C ATOM 278 C LEU A 315 3.598 0.271 -15.099 1.00 63.54 C ATOM 279 O LEU A 315 3.586 -0.874 -14.625 1.00 3.15 O ATOM 280 CB LEU A 315 4.483 -0.441 -17.255 1.00 75.44 C ATOM 281 CG LEU A 315 3.631 -0.110 -18.481 1.00 13.32 C ATOM 282 CD1 LEU A 315 3.826 -1.149 -19.591 1.00 22.15 C ATOM 283 CD2 LEU A 315 2.147 0.090 -18.125 1.00 54.14 C ATOM 0 H LEU A 315 6.420 -0.039 -15.713 1.00 41.41 H new ATOM 0 HA LEU A 315 4.274 1.615 -16.667 1.00 40.44 H new ATOM 0 HB2 LEU A 315 5.501 -0.652 -17.582 1.00 75.44 H new ATOM 0 HB3 LEU A 315 4.100 -1.353 -16.798 1.00 75.44 H new ATOM 0 HG LEU A 315 3.981 0.847 -18.868 1.00 13.32 H new ATOM 0 HD11 LEU A 315 3.207 -0.886 -20.449 1.00 22.15 H new ATOM 0 HD12 LEU A 315 4.874 -1.168 -19.892 1.00 22.15 H new ATOM 0 HD13 LEU A 315 3.536 -2.133 -19.223 1.00 22.15 H new ATOM 0 HD21 LEU A 315 1.584 0.323 -19.029 1.00 54.14 H new ATOM 0 HD22 LEU A 315 1.754 -0.823 -17.678 1.00 54.14 H new ATOM 0 HD23 LEU A 315 2.051 0.912 -17.416 1.00 54.14 H new ATOM 295 N GLU A 316 2.957 1.254 -14.573 1.00 75.43 N ATOM 296 CA GLU A 316 1.867 1.097 -13.718 1.00 15.30 C ATOM 297 C GLU A 316 0.993 2.224 -14.085 1.00 13.31 C ATOM 298 O GLU A 316 -0.108 2.108 -14.573 1.00 42.02 O ATOM 299 CB GLU A 316 2.219 1.129 -12.219 1.00 32.43 C ATOM 300 CG GLU A 316 3.738 1.207 -11.947 1.00 3.53 C ATOM 301 CD GLU A 316 3.962 1.662 -10.535 1.00 41.11 C ATOM 302 OE1 GLU A 316 3.407 2.740 -10.160 1.00 20.13 O ATOM 303 OE2 GLU A 316 4.739 1.047 -9.833 1.00 71.34 O ATOM 0 H GLU A 316 3.201 2.229 -14.744 1.00 75.43 H new ATOM 0 HA GLU A 316 1.411 0.114 -13.839 1.00 15.30 H new ATOM 0 HB2 GLU A 316 1.730 1.987 -11.757 1.00 32.43 H new ATOM 0 HB3 GLU A 316 1.817 0.236 -11.740 1.00 32.43 H new ATOM 0 HG2 GLU A 316 4.199 0.232 -12.105 1.00 3.53 H new ATOM 0 HG3 GLU A 316 4.210 1.899 -12.644 1.00 3.53 H new ATOM 310 N CYS A 317 1.627 3.385 -13.825 1.00 53.42 N ATOM 311 CA CYS A 317 1.067 4.710 -13.868 1.00 43.05 C ATOM 312 C CYS A 317 1.878 5.526 -14.870 1.00 2.30 C ATOM 313 O CYS A 317 1.511 6.639 -15.186 1.00 52.42 O ATOM 314 CB CYS A 317 1.310 5.385 -12.483 1.00 31.35 C ATOM 315 SG CYS A 317 3.001 4.904 -11.929 1.00 24.30 S ATOM 0 H CYS A 317 2.613 3.399 -13.563 1.00 53.42 H new ATOM 0 HA CYS A 317 0.009 4.664 -14.125 1.00 43.05 H new ATOM 0 HB2 CYS A 317 1.226 6.469 -12.563 1.00 31.35 H new ATOM 0 HB3 CYS A 317 0.562 5.060 -11.760 1.00 31.35 H new ATOM 0 HG CYS A 317 2.922 3.874 -11.140 1.00 24.30 H new ATOM 320 N GLY A 318 3.055 5.001 -15.357 1.00 52.45 N ATOM 321 CA GLY A 318 3.871 5.792 -16.277 1.00 33.10 C ATOM 322 C GLY A 318 4.776 6.735 -15.509 1.00 72.43 C ATOM 323 O GLY A 318 5.149 7.775 -16.014 1.00 4.22 O ATOM 0 H GLY A 318 3.424 4.078 -15.127 1.00 52.45 H new ATOM 0 HA2 GLY A 318 4.472 5.130 -16.901 1.00 33.10 H new ATOM 0 HA3 GLY A 318 3.226 6.362 -16.946 1.00 33.10 H new ATOM 327 N HIS A 319 5.128 6.412 -14.236 1.00 34.30 N ATOM 328 CA HIS A 319 6.060 7.274 -13.485 1.00 21.20 C ATOM 329 C HIS A 319 7.435 6.848 -13.929 1.00 62.21 C ATOM 330 O HIS A 319 7.692 5.647 -14.039 1.00 54.24 O ATOM 331 CB HIS A 319 5.985 7.096 -11.940 1.00 11.44 C ATOM 332 CG HIS A 319 5.211 8.184 -11.177 1.00 55.21 C ATOM 333 ND1 HIS A 319 4.375 7.824 -10.118 1.00 71.11 N ATOM 334 CD2 HIS A 319 5.197 9.536 -11.346 1.00 41.04 C ATOM 335 CE1 HIS A 319 3.877 8.956 -9.676 1.00 32.43 C ATOM 336 NE2 HIS A 319 4.342 10.023 -10.382 1.00 24.34 N ATOM 0 H HIS A 319 4.792 5.592 -13.730 1.00 34.30 H new ATOM 0 HA HIS A 319 5.813 8.317 -13.685 1.00 21.20 H new ATOM 0 HB2 HIS A 319 5.524 6.132 -11.726 1.00 11.44 H new ATOM 0 HB3 HIS A 319 7.001 7.057 -11.548 1.00 11.44 H new ATOM 0 HD1 HIS A 319 4.191 6.885 -9.764 1.00 71.11 H new ATOM 0 HD2 HIS A 319 5.743 10.107 -12.083 1.00 41.04 H new ATOM 0 HE1 HIS A 319 3.183 9.031 -8.852 1.00 32.43 H new ATOM 344 N VAL A 320 8.348 7.803 -14.115 1.00 23.20 N ATOM 345 CA VAL A 320 9.692 7.504 -14.572 1.00 11.20 C ATOM 346 C VAL A 320 10.552 7.890 -13.416 1.00 73.52 C ATOM 347 O VAL A 320 10.598 9.069 -13.064 1.00 5.12 O ATOM 348 CB VAL A 320 10.096 8.346 -15.789 1.00 73.32 C ATOM 349 CG1 VAL A 320 11.055 7.537 -16.666 1.00 52.12 C ATOM 350 CG2 VAL A 320 8.820 8.760 -16.559 1.00 42.11 C ATOM 0 H VAL A 320 8.172 8.795 -13.953 1.00 23.20 H new ATOM 0 HA VAL A 320 9.781 6.461 -14.877 1.00 11.20 H new ATOM 0 HB VAL A 320 10.614 9.253 -15.478 1.00 73.32 H new ATOM 0 HG11 VAL A 320 11.345 8.131 -17.532 1.00 52.12 H new ATOM 0 HG12 VAL A 320 11.943 7.277 -16.090 1.00 52.12 H new ATOM 0 HG13 VAL A 320 10.560 6.625 -17.001 1.00 52.12 H new ATOM 0 HG21 VAL A 320 9.097 9.359 -17.426 1.00 42.11 H new ATOM 0 HG22 VAL A 320 8.289 7.867 -16.889 1.00 42.11 H new ATOM 0 HG23 VAL A 320 8.174 9.345 -15.905 1.00 42.11 H new ATOM 360 N CYS A 321 11.227 6.926 -12.731 1.00 65.43 N ATOM 361 CA CYS A 321 11.943 7.367 -11.534 1.00 0.22 C ATOM 362 C CYS A 321 13.095 6.464 -11.162 1.00 51.53 C ATOM 363 O CYS A 321 13.983 6.887 -10.392 1.00 51.33 O ATOM 364 CB CYS A 321 11.018 7.508 -10.288 1.00 24.13 C ATOM 365 SG CYS A 321 9.455 6.572 -10.446 1.00 22.10 S ATOM 0 H CYS A 321 11.283 5.935 -12.966 1.00 65.43 H new ATOM 0 HA CYS A 321 12.331 8.347 -11.810 1.00 0.22 H new ATOM 0 HB2 CYS A 321 11.554 7.162 -9.404 1.00 24.13 H new ATOM 0 HB3 CYS A 321 10.789 8.562 -10.130 1.00 24.13 H new ATOM 0 HG CYS A 321 9.671 5.318 -10.178 1.00 22.10 H new ATOM 371 N SER A 322 13.162 5.223 -11.665 1.00 34.11 N ATOM 372 CA SER A 322 14.194 4.327 -11.189 1.00 22.42 C ATOM 373 C SER A 322 15.174 4.128 -12.275 1.00 62.14 C ATOM 374 O SER A 322 15.048 4.669 -13.329 1.00 5.32 O ATOM 375 CB SER A 322 13.703 2.949 -10.683 1.00 51.01 C ATOM 376 OG SER A 322 14.656 2.402 -9.736 1.00 44.43 O ATOM 0 H SER A 322 12.536 4.839 -12.373 1.00 34.11 H new ATOM 0 HA SER A 322 14.629 4.809 -10.313 1.00 22.42 H new ATOM 0 HB2 SER A 322 12.726 3.052 -10.210 1.00 51.01 H new ATOM 0 HB3 SER A 322 13.580 2.266 -11.524 1.00 51.01 H new ATOM 0 HG SER A 322 14.338 1.531 -9.418 1.00 44.43 H new ATOM 382 N CYS A 323 16.216 3.350 -11.976 1.00 5.25 N ATOM 383 CA CYS A 323 17.275 3.099 -12.908 1.00 1.21 C ATOM 384 C CYS A 323 17.353 1.616 -12.945 1.00 1.33 C ATOM 385 O CYS A 323 17.103 0.985 -11.915 1.00 5.33 O ATOM 386 CB CYS A 323 18.667 3.781 -12.525 1.00 11.13 C ATOM 387 SG CYS A 323 19.715 2.921 -11.286 1.00 60.31 S ATOM 0 H CYS A 323 16.333 2.884 -11.076 1.00 5.25 H new ATOM 0 HA CYS A 323 17.067 3.544 -13.881 1.00 1.21 H new ATOM 0 HB2 CYS A 323 19.250 3.894 -13.439 1.00 11.13 H new ATOM 0 HB3 CYS A 323 18.460 4.784 -12.153 1.00 11.13 H new ATOM 0 HG CYS A 323 20.726 3.676 -10.974 1.00 60.31 H new ATOM 392 N THR A 324 17.685 1.037 -14.112 1.00 73.12 N ATOM 393 CA THR A 324 17.644 -0.414 -14.339 1.00 14.10 C ATOM 394 C THR A 324 18.397 -1.169 -13.270 1.00 0.50 C ATOM 395 O THR A 324 17.882 -2.121 -12.703 1.00 11.40 O ATOM 396 CB THR A 324 18.210 -0.790 -15.691 1.00 24.21 C ATOM 397 OG1 THR A 324 18.032 0.297 -16.610 1.00 40.33 O ATOM 398 CG2 THR A 324 17.493 -2.049 -16.201 1.00 22.34 C ATOM 0 H THR A 324 17.991 1.568 -14.928 1.00 73.12 H new ATOM 0 HA THR A 324 16.591 -0.693 -14.303 1.00 14.10 H new ATOM 0 HB THR A 324 19.277 -0.996 -15.603 1.00 24.21 H new ATOM 0 HG1 THR A 324 18.818 0.881 -16.582 1.00 40.33 H new ATOM 0 HG21 THR A 324 17.895 -2.327 -17.175 1.00 22.34 H new ATOM 0 HG22 THR A 324 17.649 -2.867 -15.497 1.00 22.34 H new ATOM 0 HG23 THR A 324 16.426 -1.848 -16.293 1.00 22.34 H new ATOM 406 N GLU A 325 19.612 -0.711 -12.937 1.00 32.31 N ATOM 407 CA GLU A 325 20.459 -1.422 -12.000 1.00 3.13 C ATOM 408 C GLU A 325 19.837 -1.420 -10.629 1.00 73.11 C ATOM 409 O GLU A 325 19.973 -2.360 -9.893 1.00 53.33 O ATOM 410 CB GLU A 325 21.850 -0.804 -11.901 1.00 13.20 C ATOM 411 CG GLU A 325 22.557 -0.723 -13.274 1.00 20.24 C ATOM 412 CD GLU A 325 22.546 0.721 -13.756 1.00 23.20 C ATOM 413 OE1 GLU A 325 23.633 1.262 -14.064 1.00 0.43 O ATOM 414 OE2 GLU A 325 21.416 1.318 -13.811 1.00 1.21 O ATOM 0 H GLU A 325 20.019 0.148 -13.308 1.00 32.31 H new ATOM 0 HA GLU A 325 20.556 -2.441 -12.374 1.00 3.13 H new ATOM 0 HB2 GLU A 325 21.771 0.197 -11.476 1.00 13.20 H new ATOM 0 HB3 GLU A 325 22.459 -1.394 -11.216 1.00 13.20 H new ATOM 0 HG2 GLU A 325 23.582 -1.084 -13.191 1.00 20.24 H new ATOM 0 HG3 GLU A 325 22.051 -1.364 -13.996 1.00 20.24 H new ATOM 421 N CYS A 326 19.111 -0.341 -10.282 1.00 11.31 N ATOM 422 CA CYS A 326 18.473 -0.255 -8.958 1.00 73.35 C ATOM 423 C CYS A 326 17.423 -1.330 -8.890 1.00 74.41 C ATOM 424 O CYS A 326 17.266 -1.990 -7.879 1.00 34.23 O ATOM 425 CB CYS A 326 17.718 1.091 -8.698 1.00 12.13 C ATOM 426 SG CYS A 326 18.611 2.273 -7.655 1.00 12.13 S ATOM 0 H CYS A 326 18.954 0.466 -10.886 1.00 11.31 H new ATOM 0 HA CYS A 326 19.272 -0.348 -8.222 1.00 73.35 H new ATOM 0 HB2 CYS A 326 17.505 1.563 -9.657 1.00 12.13 H new ATOM 0 HB3 CYS A 326 16.758 0.869 -8.232 1.00 12.13 H new ATOM 0 HG CYS A 326 18.366 3.483 -8.062 1.00 12.13 H new ATOM 431 N TYR A 327 16.664 -1.483 -9.994 1.00 1.14 N ATOM 432 CA TYR A 327 15.556 -2.394 -10.026 1.00 53.51 C ATOM 433 C TYR A 327 16.086 -3.802 -9.916 1.00 40.03 C ATOM 434 O TYR A 327 15.917 -4.459 -8.897 1.00 65.21 O ATOM 435 CB TYR A 327 14.745 -2.251 -11.358 1.00 2.03 C ATOM 436 CG TYR A 327 13.473 -3.046 -11.444 1.00 15.30 C ATOM 437 CD1 TYR A 327 12.301 -2.555 -10.914 1.00 15.14 C ATOM 438 CD2 TYR A 327 13.456 -4.276 -12.067 1.00 22.40 C ATOM 439 CE1 TYR A 327 11.139 -3.277 -10.998 1.00 25.31 C ATOM 440 CE2 TYR A 327 12.290 -5.000 -12.150 1.00 42.42 C ATOM 441 CZ TYR A 327 11.129 -4.496 -11.613 1.00 12.12 C ATOM 442 OH TYR A 327 9.927 -5.231 -11.686 1.00 32.23 O ATOM 0 H TYR A 327 16.818 -0.976 -10.865 1.00 1.14 H new ATOM 0 HA TYR A 327 14.889 -2.166 -9.194 1.00 53.51 H new ATOM 0 HB2 TYR A 327 14.502 -1.198 -11.501 1.00 2.03 H new ATOM 0 HB3 TYR A 327 15.390 -2.545 -12.186 1.00 2.03 H new ATOM 0 HD1 TYR A 327 12.297 -1.591 -10.427 1.00 15.14 H new ATOM 0 HD2 TYR A 327 14.365 -4.674 -12.493 1.00 22.40 H new ATOM 0 HE1 TYR A 327 10.228 -2.880 -10.576 1.00 25.31 H new ATOM 0 HE2 TYR A 327 12.286 -5.964 -12.637 1.00 42.42 H new ATOM 0 HH TYR A 327 10.088 -6.076 -12.155 1.00 32.23 H new ATOM 452 N ARG A 328 16.896 -4.214 -10.920 1.00 14.23 N ATOM 453 CA ARG A 328 17.313 -5.605 -11.057 1.00 1.44 C ATOM 454 C ARG A 328 18.149 -6.035 -9.883 1.00 2.01 C ATOM 455 O ARG A 328 18.206 -7.218 -9.555 1.00 33.14 O ATOM 456 CB ARG A 328 18.089 -5.892 -12.364 1.00 60.12 C ATOM 457 CG ARG A 328 19.275 -4.950 -12.623 1.00 4.13 C ATOM 458 CD ARG A 328 20.623 -5.681 -12.698 1.00 42.02 C ATOM 459 NE ARG A 328 20.976 -5.895 -14.138 1.00 74.14 N ATOM 460 CZ ARG A 328 22.155 -6.514 -14.471 1.00 61.41 C ATOM 461 NH1 ARG A 328 22.979 -6.996 -13.488 1.00 40.03 N ATOM 462 NH2 ARG A 328 22.504 -6.672 -15.786 1.00 74.14 N ATOM 0 H ARG A 328 17.266 -3.593 -11.640 1.00 14.23 H new ATOM 0 HA ARG A 328 16.389 -6.182 -11.092 1.00 1.44 H new ATOM 0 HB2 ARG A 328 18.456 -6.918 -12.335 1.00 60.12 H new ATOM 0 HB3 ARG A 328 17.398 -5.824 -13.204 1.00 60.12 H new ATOM 0 HG2 ARG A 328 19.107 -4.414 -13.557 1.00 4.13 H new ATOM 0 HG3 ARG A 328 19.318 -4.203 -11.830 1.00 4.13 H new ATOM 0 HD2 ARG A 328 21.398 -5.096 -12.202 1.00 42.02 H new ATOM 0 HD3 ARG A 328 20.563 -6.637 -12.178 1.00 42.02 H new ATOM 0 HE ARG A 328 20.340 -5.581 -14.871 1.00 74.14 H new ATOM 0 HH11 ARG A 328 22.716 -6.895 -12.508 1.00 40.03 H new ATOM 0 HH12 ARG A 328 23.855 -7.456 -13.737 1.00 40.03 H new ATOM 0 HH21 ARG A 328 21.887 -6.329 -16.522 1.00 74.14 H new ATOM 0 HH22 ARG A 328 23.381 -7.133 -16.029 1.00 74.14 H new ATOM 476 N ALA A 329 18.812 -5.085 -9.228 1.00 34.12 N ATOM 477 CA ALA A 329 19.628 -5.417 -8.102 1.00 32.33 C ATOM 478 C ALA A 329 18.739 -5.697 -6.921 1.00 20.24 C ATOM 479 O ALA A 329 18.884 -6.724 -6.279 1.00 24.43 O ATOM 480 CB ALA A 329 20.608 -4.297 -7.701 1.00 35.35 C ATOM 0 H ALA A 329 18.790 -4.094 -9.467 1.00 34.12 H new ATOM 0 HA ALA A 329 20.219 -6.286 -8.392 1.00 32.33 H new ATOM 0 HB1 ALA A 329 21.195 -4.618 -6.840 1.00 35.35 H new ATOM 0 HB2 ALA A 329 21.276 -4.082 -8.535 1.00 35.35 H new ATOM 0 HB3 ALA A 329 20.048 -3.398 -7.444 1.00 35.35 H new ATOM 486 N LEU A 330 17.845 -4.742 -6.594 1.00 55.31 N ATOM 487 CA LEU A 330 16.998 -4.818 -5.387 1.00 12.04 C ATOM 488 C LEU A 330 15.863 -5.782 -5.617 1.00 34.21 C ATOM 489 O LEU A 330 14.946 -5.447 -6.334 1.00 64.45 O ATOM 490 CB LEU A 330 16.370 -3.427 -5.068 1.00 2.21 C ATOM 491 CG LEU A 330 15.449 -3.357 -3.828 1.00 11.05 C ATOM 492 CD1 LEU A 330 15.966 -4.173 -2.632 1.00 21.32 C ATOM 493 CD2 LEU A 330 15.146 -1.909 -3.426 1.00 35.24 C ATOM 0 H LEU A 330 17.691 -3.903 -7.154 1.00 55.31 H new ATOM 0 HA LEU A 330 17.627 -5.146 -4.560 1.00 12.04 H new ATOM 0 HB2 LEU A 330 17.179 -2.709 -4.933 1.00 2.21 H new ATOM 0 HB3 LEU A 330 15.798 -3.103 -5.937 1.00 2.21 H new ATOM 0 HG LEU A 330 14.513 -3.827 -4.132 1.00 11.05 H new ATOM 0 HD11 LEU A 330 15.270 -4.078 -1.798 1.00 21.32 H new ATOM 0 HD12 LEU A 330 16.050 -5.222 -2.916 1.00 21.32 H new ATOM 0 HD13 LEU A 330 16.945 -3.799 -2.332 1.00 21.32 H new ATOM 0 HD21 LEU A 330 14.496 -1.903 -2.551 1.00 35.24 H new ATOM 0 HD22 LEU A 330 16.077 -1.394 -3.190 1.00 35.24 H new ATOM 0 HD23 LEU A 330 14.649 -1.399 -4.251 1.00 35.24 H new ATOM 505 N PRO A 331 15.845 -6.985 -5.019 1.00 43.45 N ATOM 506 CA PRO A 331 14.681 -7.814 -5.206 1.00 14.23 C ATOM 507 C PRO A 331 13.707 -7.689 -4.060 1.00 32.41 C ATOM 508 O PRO A 331 13.992 -8.052 -2.917 1.00 72.24 O ATOM 509 CB PRO A 331 15.306 -9.221 -5.212 1.00 20.10 C ATOM 510 CG PRO A 331 16.599 -9.095 -4.354 1.00 42.23 C ATOM 511 CD PRO A 331 16.830 -7.587 -4.137 1.00 11.40 C ATOM 0 HA PRO A 331 14.109 -7.556 -6.097 1.00 14.23 H new ATOM 0 HB2 PRO A 331 14.623 -9.958 -4.789 1.00 20.10 H new ATOM 0 HB3 PRO A 331 15.536 -9.546 -6.227 1.00 20.10 H new ATOM 0 HG2 PRO A 331 16.485 -9.612 -3.401 1.00 42.23 H new ATOM 0 HG3 PRO A 331 17.449 -9.549 -4.863 1.00 42.23 H new ATOM 0 HD2 PRO A 331 16.673 -7.298 -3.098 1.00 11.40 H new ATOM 0 HD3 PRO A 331 17.845 -7.290 -4.401 1.00 11.40 H new ATOM 519 N GLU A 332 12.556 -7.148 -4.367 1.00 4.04 N ATOM 520 CA GLU A 332 11.405 -7.111 -3.516 1.00 11.33 C ATOM 521 C GLU A 332 10.332 -7.102 -4.519 1.00 1.43 C ATOM 522 O GLU A 332 10.626 -7.138 -5.714 1.00 51.41 O ATOM 523 CB GLU A 332 11.307 -5.836 -2.631 1.00 42.54 C ATOM 524 CG GLU A 332 12.302 -4.753 -3.022 1.00 31.41 C ATOM 525 CD GLU A 332 11.952 -3.487 -2.276 1.00 12.14 C ATOM 526 OE1 GLU A 332 12.575 -3.246 -1.208 1.00 22.30 O ATOM 527 OE2 GLU A 332 11.059 -2.743 -2.757 1.00 13.13 O ATOM 0 H GLU A 332 12.393 -6.698 -5.268 1.00 4.04 H new ATOM 0 HA GLU A 332 11.395 -7.927 -2.794 1.00 11.33 H new ATOM 0 HB2 GLU A 332 10.297 -5.433 -2.698 1.00 42.54 H new ATOM 0 HB3 GLU A 332 11.472 -6.112 -1.589 1.00 42.54 H new ATOM 0 HG2 GLU A 332 13.317 -5.067 -2.780 1.00 31.41 H new ATOM 0 HG3 GLU A 332 12.270 -4.580 -4.098 1.00 31.41 H new ATOM 534 N PRO A 333 9.084 -7.096 -4.124 1.00 43.41 N ATOM 535 CA PRO A 333 8.114 -6.558 -5.038 1.00 0.21 C ATOM 536 C PRO A 333 8.268 -5.063 -4.908 1.00 55.03 C ATOM 537 O PRO A 333 8.084 -4.514 -3.816 1.00 73.34 O ATOM 538 CB PRO A 333 6.750 -7.017 -4.486 1.00 53.41 C ATOM 539 CG PRO A 333 7.007 -7.432 -3.025 1.00 33.34 C ATOM 540 CD PRO A 333 8.521 -7.651 -2.884 1.00 61.22 C ATOM 0 HA PRO A 333 8.218 -6.865 -6.079 1.00 0.21 H new ATOM 0 HB2 PRO A 333 6.015 -6.214 -4.541 1.00 53.41 H new ATOM 0 HB3 PRO A 333 6.354 -7.851 -5.066 1.00 53.41 H new ATOM 0 HG2 PRO A 333 6.663 -6.659 -2.338 1.00 33.34 H new ATOM 0 HG3 PRO A 333 6.460 -8.343 -2.780 1.00 33.34 H new ATOM 0 HD2 PRO A 333 8.917 -7.142 -2.005 1.00 61.22 H new ATOM 0 HD3 PRO A 333 8.762 -8.709 -2.776 1.00 61.22 H new ATOM 548 N LYS A 334 8.603 -4.368 -5.992 1.00 63.34 N ATOM 549 CA LYS A 334 8.929 -2.975 -5.853 1.00 42.33 C ATOM 550 C LYS A 334 7.711 -2.171 -6.059 1.00 74.32 C ATOM 551 O LYS A 334 6.813 -2.533 -6.834 1.00 41.42 O ATOM 552 CB LYS A 334 10.025 -2.496 -6.828 1.00 1.23 C ATOM 553 CG LYS A 334 11.437 -2.865 -6.369 1.00 33.31 C ATOM 554 CD LYS A 334 12.258 -3.547 -7.451 1.00 65.11 C ATOM 555 CE LYS A 334 12.046 -5.055 -7.492 1.00 3.41 C ATOM 556 NZ LYS A 334 12.534 -5.621 -8.764 1.00 42.02 N ATOM 0 H LYS A 334 8.652 -4.741 -6.940 1.00 63.34 H new ATOM 0 HA LYS A 334 9.326 -2.844 -4.847 1.00 42.33 H new ATOM 0 HB2 LYS A 334 9.844 -2.930 -7.811 1.00 1.23 H new ATOM 0 HB3 LYS A 334 9.956 -1.414 -6.940 1.00 1.23 H new ATOM 0 HG2 LYS A 334 11.954 -1.962 -6.044 1.00 33.31 H new ATOM 0 HG3 LYS A 334 11.370 -3.523 -5.503 1.00 33.31 H new ATOM 0 HD2 LYS A 334 11.998 -3.122 -8.420 1.00 65.11 H new ATOM 0 HD3 LYS A 334 13.315 -3.338 -7.285 1.00 65.11 H new ATOM 0 HE2 LYS A 334 12.568 -5.522 -6.657 1.00 3.41 H new ATOM 0 HE3 LYS A 334 10.986 -5.281 -7.372 1.00 3.41 H new ATOM 0 HZ1 LYS A 334 12.288 -6.630 -8.812 1.00 42.02 H new ATOM 0 HZ2 LYS A 334 12.092 -5.118 -9.560 1.00 42.02 H new ATOM 0 HZ3 LYS A 334 13.567 -5.514 -8.818 1.00 42.02 H new ATOM 570 N LYS A 335 7.662 -1.054 -5.341 1.00 53.21 N ATOM 571 CA LYS A 335 6.578 -0.157 -5.423 1.00 2.12 C ATOM 572 C LYS A 335 7.100 1.044 -6.115 1.00 32.14 C ATOM 573 O LYS A 335 8.302 1.306 -6.133 1.00 5.11 O ATOM 574 CB LYS A 335 6.034 0.293 -4.039 1.00 11.43 C ATOM 575 CG LYS A 335 5.683 -0.873 -3.106 1.00 64.11 C ATOM 576 CD LYS A 335 4.345 -1.550 -3.455 1.00 32.13 C ATOM 577 CE LYS A 335 4.492 -3.007 -3.910 1.00 3.03 C ATOM 578 NZ LYS A 335 5.257 -3.783 -2.914 1.00 3.33 N ATOM 0 H LYS A 335 8.392 -0.768 -4.689 1.00 53.21 H new ATOM 0 HA LYS A 335 5.754 -0.652 -5.937 1.00 2.12 H new ATOM 0 HB2 LYS A 335 6.779 0.924 -3.553 1.00 11.43 H new ATOM 0 HB3 LYS A 335 5.146 0.906 -4.190 1.00 11.43 H new ATOM 0 HG2 LYS A 335 6.480 -1.616 -3.148 1.00 64.11 H new ATOM 0 HG3 LYS A 335 5.641 -0.508 -2.080 1.00 64.11 H new ATOM 0 HD2 LYS A 335 3.692 -1.515 -2.583 1.00 32.13 H new ATOM 0 HD3 LYS A 335 3.854 -0.980 -4.244 1.00 32.13 H new ATOM 0 HE2 LYS A 335 3.507 -3.452 -4.049 1.00 3.03 H new ATOM 0 HE3 LYS A 335 4.997 -3.044 -4.875 1.00 3.03 H new ATOM 0 HZ1 LYS A 335 4.794 -4.701 -2.759 1.00 3.33 H new ATOM 0 HZ2 LYS A 335 6.224 -3.938 -3.263 1.00 3.33 H new ATOM 0 HZ3 LYS A 335 5.292 -3.257 -2.017 1.00 3.33 H new ATOM 592 N CYS A 336 6.192 1.782 -6.753 1.00 61.41 N ATOM 593 CA CYS A 336 6.502 3.047 -7.373 1.00 71.43 C ATOM 594 C CYS A 336 6.996 3.951 -6.259 1.00 61.25 C ATOM 595 O CYS A 336 6.234 4.272 -5.391 1.00 34.14 O ATOM 596 CB CYS A 336 5.240 3.710 -7.972 1.00 32.33 C ATOM 597 SG CYS A 336 5.598 4.750 -9.422 1.00 64.11 S ATOM 0 H CYS A 336 5.215 1.506 -6.849 1.00 61.41 H new ATOM 0 HA CYS A 336 7.228 2.895 -8.172 1.00 71.43 H new ATOM 0 HB2 CYS A 336 4.529 2.934 -8.256 1.00 32.33 H new ATOM 0 HB3 CYS A 336 4.759 4.318 -7.206 1.00 32.33 H new ATOM 0 HG CYS A 336 4.607 4.682 -10.260 1.00 64.11 H new ATOM 602 N PRO A 337 8.213 4.432 -6.320 1.00 34.42 N ATOM 603 CA PRO A 337 8.767 5.251 -5.226 1.00 21.33 C ATOM 604 C PRO A 337 8.062 6.572 -5.028 1.00 73.22 C ATOM 605 O PRO A 337 8.226 7.224 -4.011 1.00 63.54 O ATOM 606 CB PRO A 337 10.235 5.471 -5.617 1.00 45.24 C ATOM 607 CG PRO A 337 10.285 5.215 -7.121 1.00 3.53 C ATOM 608 CD PRO A 337 9.169 4.227 -7.417 1.00 43.01 C ATOM 0 HA PRO A 337 8.641 4.741 -4.271 1.00 21.33 H new ATOM 0 HB2 PRO A 337 10.560 6.484 -5.378 1.00 45.24 H new ATOM 0 HB3 PRO A 337 10.893 4.790 -5.078 1.00 45.24 H new ATOM 0 HG2 PRO A 337 10.144 6.141 -7.679 1.00 3.53 H new ATOM 0 HG3 PRO A 337 11.253 4.809 -7.415 1.00 3.53 H new ATOM 0 HD2 PRO A 337 8.711 4.421 -8.387 1.00 43.01 H new ATOM 0 HD3 PRO A 337 9.539 3.202 -7.438 1.00 43.01 H new ATOM 616 N ILE A 338 7.262 6.983 -6.025 1.00 63.43 N ATOM 617 CA ILE A 338 6.563 8.233 -5.947 1.00 31.43 C ATOM 618 C ILE A 338 5.154 7.985 -5.434 1.00 42.52 C ATOM 619 O ILE A 338 4.655 8.735 -4.629 1.00 3.14 O ATOM 620 CB ILE A 338 6.441 8.928 -7.303 1.00 53.34 C ATOM 621 CG1 ILE A 338 7.632 8.611 -8.231 1.00 0.02 C ATOM 622 CG2 ILE A 338 6.289 10.431 -7.080 1.00 15.10 C ATOM 623 CD1 ILE A 338 8.963 9.196 -7.755 1.00 54.23 C ATOM 0 H ILE A 338 7.097 6.456 -6.883 1.00 63.43 H new ATOM 0 HA ILE A 338 7.138 8.875 -5.279 1.00 31.43 H new ATOM 0 HB ILE A 338 5.555 8.546 -7.811 1.00 53.34 H new ATOM 0 HG12 ILE A 338 7.733 7.529 -8.319 1.00 0.02 H new ATOM 0 HG13 ILE A 338 7.414 8.993 -9.228 1.00 0.02 H new ATOM 0 HG21 ILE A 338 6.201 10.935 -8.043 1.00 15.10 H new ATOM 0 HG22 ILE A 338 5.394 10.622 -6.488 1.00 15.10 H new ATOM 0 HG23 ILE A 338 7.163 10.810 -6.550 1.00 15.10 H new ATOM 0 HD11 ILE A 338 9.750 8.930 -8.460 1.00 54.23 H new ATOM 0 HD12 ILE A 338 8.882 10.281 -7.694 1.00 54.23 H new ATOM 0 HD13 ILE A 338 9.206 8.794 -6.771 1.00 54.23 H new ATOM 635 N CYS A 339 4.503 6.872 -5.871 1.00 23.50 N ATOM 636 CA CYS A 339 3.058 6.751 -5.629 1.00 62.11 C ATOM 637 C CYS A 339 2.732 5.471 -4.865 1.00 22.20 C ATOM 638 O CYS A 339 1.579 5.184 -4.602 1.00 44.02 O ATOM 639 CB CYS A 339 2.224 6.816 -6.959 1.00 74.34 C ATOM 640 SG CYS A 339 2.317 5.301 -7.964 1.00 23.45 S ATOM 0 H CYS A 339 4.936 6.091 -6.365 1.00 23.50 H new ATOM 0 HA CYS A 339 2.772 7.607 -5.018 1.00 62.11 H new ATOM 0 HB2 CYS A 339 1.181 7.013 -6.713 1.00 74.34 H new ATOM 0 HB3 CYS A 339 2.575 7.658 -7.556 1.00 74.34 H new ATOM 0 HG CYS A 339 1.376 5.317 -8.861 1.00 23.45 H new ATOM 645 N ARG A 340 3.750 4.634 -4.601 1.00 0.23 N ATOM 646 CA ARG A 340 3.613 3.411 -3.803 1.00 44.01 C ATOM 647 C ARG A 340 2.729 2.362 -4.466 1.00 41.33 C ATOM 648 O ARG A 340 2.351 1.393 -3.833 1.00 40.31 O ATOM 649 CB ARG A 340 3.188 3.623 -2.329 1.00 2.21 C ATOM 650 CG ARG A 340 4.222 4.415 -1.510 1.00 62.24 C ATOM 651 CD ARG A 340 5.659 3.862 -1.641 1.00 24.30 C ATOM 652 NE ARG A 340 6.394 4.094 -0.350 1.00 41.44 N ATOM 653 CZ ARG A 340 7.424 5.011 -0.254 1.00 5.34 C ATOM 654 NH1 ARG A 340 7.776 5.796 -1.328 1.00 52.12 N ATOM 655 NH2 ARG A 340 8.105 5.137 0.928 1.00 23.13 N ATOM 0 H ARG A 340 4.699 4.792 -4.940 1.00 0.23 H new ATOM 0 HA ARG A 340 4.634 3.032 -3.766 1.00 44.01 H new ATOM 0 HB2 ARG A 340 2.234 4.149 -2.304 1.00 2.21 H new ATOM 0 HB3 ARG A 340 3.029 2.652 -1.860 1.00 2.21 H new ATOM 0 HG2 ARG A 340 4.210 5.456 -1.832 1.00 62.24 H new ATOM 0 HG3 ARG A 340 3.930 4.403 -0.460 1.00 62.24 H new ATOM 0 HD2 ARG A 340 5.633 2.797 -1.873 1.00 24.30 H new ATOM 0 HD3 ARG A 340 6.178 4.354 -2.463 1.00 24.30 H new ATOM 0 HE ARG A 340 6.125 3.561 0.477 1.00 41.44 H new ATOM 0 HH11 ARG A 340 7.274 5.706 -2.212 1.00 52.12 H new ATOM 0 HH12 ARG A 340 8.538 6.468 -1.240 1.00 52.12 H new ATOM 0 HH21 ARG A 340 7.851 4.557 1.728 1.00 23.13 H new ATOM 0 HH22 ARG A 340 8.866 5.811 1.009 1.00 23.13 H new ATOM 669 N GLN A 341 2.384 2.529 -5.768 1.00 53.15 N ATOM 670 CA GLN A 341 1.627 1.492 -6.473 1.00 53.13 C ATOM 671 C GLN A 341 2.605 0.412 -6.796 1.00 72.12 C ATOM 672 O GLN A 341 3.759 0.712 -7.081 1.00 65.32 O ATOM 673 CB GLN A 341 1.094 1.941 -7.845 1.00 23.21 C ATOM 674 CG GLN A 341 -0.135 2.849 -7.813 1.00 72.31 C ATOM 675 CD GLN A 341 -0.287 3.424 -9.227 1.00 1.15 C ATOM 676 OE1 GLN A 341 0.729 3.701 -9.903 1.00 63.43 O ATOM 677 NE2 GLN A 341 -1.526 3.596 -9.697 1.00 64.15 N ATOM 0 H GLN A 341 2.615 3.350 -6.328 1.00 53.15 H new ATOM 0 HA GLN A 341 0.788 1.211 -5.836 1.00 53.13 H new ATOM 0 HB2 GLN A 341 1.894 2.461 -8.373 1.00 23.21 H new ATOM 0 HB3 GLN A 341 0.852 1.053 -8.429 1.00 23.21 H new ATOM 0 HG2 GLN A 341 -1.024 2.289 -7.524 1.00 72.31 H new ATOM 0 HG3 GLN A 341 -0.009 3.647 -7.081 1.00 72.31 H new ATOM 0 HE21 GLN A 341 -2.330 3.358 -9.115 1.00 64.15 H new ATOM 0 HE22 GLN A 341 -1.668 3.965 -10.637 1.00 64.15 H new ATOM 686 N ALA A 342 2.151 -0.854 -6.754 1.00 72.33 N ATOM 687 CA ALA A 342 2.972 -1.998 -7.158 1.00 40.11 C ATOM 688 C ALA A 342 3.335 -1.827 -8.617 1.00 22.54 C ATOM 689 O ALA A 342 2.544 -1.284 -9.413 1.00 31.10 O ATOM 690 CB ALA A 342 2.253 -3.357 -7.000 1.00 13.42 C ATOM 0 H ALA A 342 1.213 -1.106 -6.441 1.00 72.33 H new ATOM 0 HA ALA A 342 3.846 -2.014 -6.506 1.00 40.11 H new ATOM 0 HB1 ALA A 342 2.919 -4.160 -7.317 1.00 13.42 H new ATOM 0 HB2 ALA A 342 1.979 -3.504 -5.955 1.00 13.42 H new ATOM 0 HB3 ALA A 342 1.354 -3.367 -7.616 1.00 13.42 H new ATOM 696 N ILE A 343 4.526 -2.311 -8.999 1.00 72.15 N ATOM 697 CA ILE A 343 4.995 -2.186 -10.358 1.00 61.45 C ATOM 698 C ILE A 343 4.482 -3.373 -11.135 1.00 71.34 C ATOM 699 O ILE A 343 4.548 -4.520 -10.674 1.00 40.31 O ATOM 700 CB ILE A 343 6.512 -2.106 -10.436 1.00 13.03 C ATOM 701 CG1 ILE A 343 7.018 -0.903 -9.628 1.00 23.30 C ATOM 702 CG2 ILE A 343 6.974 -2.011 -11.900 1.00 44.44 C ATOM 703 CD1 ILE A 343 8.492 -0.951 -9.384 1.00 45.33 C ATOM 0 H ILE A 343 5.172 -2.791 -8.373 1.00 72.15 H new ATOM 0 HA ILE A 343 4.618 -1.256 -10.783 1.00 61.45 H new ATOM 0 HB ILE A 343 6.933 -3.015 -10.007 1.00 13.03 H new ATOM 0 HG12 ILE A 343 6.772 0.016 -10.160 1.00 23.30 H new ATOM 0 HG13 ILE A 343 6.496 -0.868 -8.672 1.00 23.30 H new ATOM 0 HG21 ILE A 343 8.062 -1.955 -11.935 1.00 44.44 H new ATOM 0 HG22 ILE A 343 6.638 -2.893 -12.445 1.00 44.44 H new ATOM 0 HG23 ILE A 343 6.549 -1.118 -12.358 1.00 44.44 H new ATOM 0 HD11 ILE A 343 8.794 -0.076 -8.809 1.00 45.33 H new ATOM 0 HD12 ILE A 343 8.739 -1.855 -8.827 1.00 45.33 H new ATOM 0 HD13 ILE A 343 9.019 -0.957 -10.338 1.00 45.33 H new ATOM 715 N THR A 344 3.934 -3.083 -12.339 1.00 34.40 N ATOM 716 CA THR A 344 3.352 -4.084 -13.186 1.00 43.12 C ATOM 717 C THR A 344 4.348 -4.400 -14.305 1.00 75.41 C ATOM 718 O THR A 344 4.371 -5.520 -14.841 1.00 13.44 O ATOM 719 CB THR A 344 2.021 -3.583 -13.748 1.00 21.25 C ATOM 720 OG1 THR A 344 1.005 -3.659 -12.746 1.00 55.15 O ATOM 721 CG2 THR A 344 1.597 -4.358 -15.000 1.00 63.24 C ATOM 0 H THR A 344 3.896 -2.140 -12.727 1.00 34.40 H new ATOM 0 HA THR A 344 3.146 -4.994 -12.622 1.00 43.12 H new ATOM 0 HB THR A 344 2.159 -2.543 -14.043 1.00 21.25 H new ATOM 0 HG1 THR A 344 0.157 -3.334 -13.115 1.00 55.15 H new ATOM 0 HG21 THR A 344 0.647 -3.968 -15.365 1.00 63.24 H new ATOM 0 HG22 THR A 344 2.357 -4.244 -15.773 1.00 63.24 H new ATOM 0 HG23 THR A 344 1.486 -5.414 -14.754 1.00 63.24 H new ATOM 729 N ARG A 345 5.194 -3.426 -14.670 1.00 24.51 N ATOM 730 CA ARG A 345 6.165 -3.661 -15.714 1.00 0.13 C ATOM 731 C ARG A 345 7.175 -2.578 -15.641 1.00 24.52 C ATOM 732 O ARG A 345 6.997 -1.603 -14.921 1.00 52.01 O ATOM 733 CB ARG A 345 5.579 -3.732 -17.156 1.00 40.52 C ATOM 734 CG ARG A 345 5.963 -5.016 -17.896 1.00 75.14 C ATOM 735 CD ARG A 345 7.077 -4.794 -18.921 1.00 64.11 C ATOM 736 NE ARG A 345 7.633 -6.135 -19.297 1.00 73.23 N ATOM 737 CZ ARG A 345 8.959 -6.298 -19.620 1.00 42.14 C ATOM 738 NH1 ARG A 345 9.816 -5.228 -19.609 1.00 41.43 N ATOM 739 NH2 ARG A 345 9.426 -7.547 -19.949 1.00 4.44 N ATOM 0 H ARG A 345 5.216 -2.492 -14.260 1.00 24.51 H new ATOM 0 HA ARG A 345 6.592 -4.648 -15.535 1.00 0.13 H new ATOM 0 HB2 ARG A 345 4.493 -3.660 -17.105 1.00 40.52 H new ATOM 0 HB3 ARG A 345 5.929 -2.872 -17.727 1.00 40.52 H new ATOM 0 HG2 ARG A 345 6.284 -5.766 -17.173 1.00 75.14 H new ATOM 0 HG3 ARG A 345 5.084 -5.416 -18.401 1.00 75.14 H new ATOM 0 HD2 ARG A 345 6.689 -4.282 -19.801 1.00 64.11 H new ATOM 0 HD3 ARG A 345 7.859 -4.161 -18.503 1.00 64.11 H new ATOM 0 HE ARG A 345 7.013 -6.945 -19.313 1.00 73.23 H new ATOM 0 HH11 ARG A 345 9.471 -4.301 -19.360 1.00 41.43 H new ATOM 0 HH12 ARG A 345 10.798 -5.359 -19.850 1.00 41.43 H new ATOM 0 HH21 ARG A 345 8.790 -8.345 -19.952 1.00 4.44 H new ATOM 0 HH22 ARG A 345 10.409 -7.677 -20.190 1.00 4.44 H new ATOM 753 N VAL A 346 8.250 -2.726 -16.415 1.00 34.30 N ATOM 754 CA VAL A 346 9.324 -1.789 -16.384 1.00 20.22 C ATOM 755 C VAL A 346 9.780 -1.588 -17.810 1.00 64.23 C ATOM 756 O VAL A 346 10.009 -2.544 -18.557 1.00 41.44 O ATOM 757 CB VAL A 346 10.491 -2.226 -15.487 1.00 22.53 C ATOM 758 CG1 VAL A 346 11.076 -3.577 -15.956 1.00 40.31 C ATOM 759 CG2 VAL A 346 11.544 -1.110 -15.425 1.00 44.52 C ATOM 0 H VAL A 346 8.381 -3.498 -17.068 1.00 34.30 H new ATOM 0 HA VAL A 346 8.968 -0.857 -15.944 1.00 20.22 H new ATOM 0 HB VAL A 346 10.127 -2.390 -14.473 1.00 22.53 H new ATOM 0 HG11 VAL A 346 11.901 -3.863 -15.303 1.00 40.31 H new ATOM 0 HG12 VAL A 346 10.301 -4.342 -15.917 1.00 40.31 H new ATOM 0 HG13 VAL A 346 11.440 -3.481 -16.979 1.00 40.31 H new ATOM 0 HG21 VAL A 346 12.370 -1.424 -14.787 1.00 44.52 H new ATOM 0 HG22 VAL A 346 11.917 -0.906 -16.429 1.00 44.52 H new ATOM 0 HG23 VAL A 346 11.093 -0.206 -15.015 1.00 44.52 H new