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 311 SER OG : rot 180:sc= -0.0651 USER MOD Set 1.2: A 324 THR OG1 : rot 161:sc= 0.545 USER MOD Set 1.3: A 350 TYR OH : rot 30:sc= 0.397 USER MOD Set 2.1: A 299 LYS NZ :NH3+ -162:sc= -1.01 (180deg=-1.26!) USER MOD Set 2.2: A 352 SER OG : rot 180:sc= 0 USER MOD Single : A 297 SER OG : rot 180:sc= 0 USER MOD Single : A 300 SER OG : rot 180:sc= -0.217 USER MOD Single : A 307 SER OG : rot 59:sc= 0.034 USER MOD Single : A 308 SER OG : rot 147:sc= 0.477 USER MOD Single : A 310 LYS NZ :NH3+ -115:sc= -0.193 (180deg=-0.643) USER MOD Single : A 312 CYS SG : rot 12:sc= 0.485 USER MOD Single : A 321 CYS SG : rot 64:sc= -0.322 USER MOD Single : A 322 SER OG : rot 180:sc= 0.102 USER MOD Single : A 327 TYR OH : rot 180:sc= 0 USER MOD Single : A 334 LYS NZ :NH3+ 174:sc= 0.688 (180deg=0.67) USER MOD Single : A 335 LYS NZ :NH3+ 133:sc= 0.626 (180deg=-1.06) USER MOD Single : A 341 GLN : amide:sc= -2.16 K(o=-2.2,f=-8.4!) USER MOD Single : A 344 THR OG1 : rot 180:sc= 0 USER MOD Single : A 351 ASN : amide:sc= -0.0719 K(o=-0.072,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 296 6.247 14.848 -15.970 1.00 13.00 N ATOM 2 CA GLY A 296 6.660 14.019 -17.137 1.00 45.03 C ATOM 3 C GLY A 296 8.096 14.283 -17.452 1.00 73.23 C ATOM 4 O GLY A 296 8.473 14.494 -18.612 1.00 42.04 O ATOM 0 HA2 GLY A 296 6.514 12.962 -16.916 1.00 45.03 H new ATOM 0 HA3 GLY A 296 6.038 14.253 -18.001 1.00 45.03 H new ATOM 10 N SER A 297 8.934 14.318 -16.401 1.00 4.31 N ATOM 11 CA SER A 297 10.345 14.528 -16.580 1.00 51.25 C ATOM 12 C SER A 297 10.945 13.157 -16.654 1.00 12.22 C ATOM 13 O SER A 297 10.372 12.197 -16.135 1.00 23.54 O ATOM 14 CB SER A 297 11.003 15.291 -15.391 1.00 64.21 C ATOM 15 OG SER A 297 10.098 16.285 -14.866 1.00 32.31 O ATOM 0 H SER A 297 8.641 14.202 -15.431 1.00 4.31 H new ATOM 0 HA SER A 297 10.514 15.135 -17.470 1.00 51.25 H new ATOM 0 HB2 SER A 297 11.275 14.587 -14.605 1.00 64.21 H new ATOM 0 HB3 SER A 297 11.925 15.769 -15.723 1.00 64.21 H new ATOM 0 HG SER A 297 10.525 16.754 -14.119 1.00 32.31 H new ATOM 21 N LEU A 298 12.118 13.034 -17.274 1.00 35.12 N ATOM 22 CA LEU A 298 12.745 11.760 -17.392 1.00 5.41 C ATOM 23 C LEU A 298 14.182 12.042 -17.560 1.00 43.22 C ATOM 24 O LEU A 298 14.555 13.164 -17.887 1.00 4.21 O ATOM 25 CB LEU A 298 12.255 10.875 -18.588 1.00 35.24 C ATOM 26 CG LEU A 298 11.860 11.640 -19.880 1.00 1.43 C ATOM 27 CD1 LEU A 298 13.028 11.787 -20.863 1.00 72.15 C ATOM 28 CD2 LEU A 298 10.644 10.999 -20.558 1.00 74.34 C ATOM 0 H LEU A 298 12.634 13.808 -17.693 1.00 35.12 H new ATOM 0 HA LEU A 298 12.497 11.178 -16.504 1.00 5.41 H new ATOM 0 HB2 LEU A 298 13.044 10.165 -18.836 1.00 35.24 H new ATOM 0 HB3 LEU A 298 11.395 10.293 -18.256 1.00 35.24 H new ATOM 0 HG LEU A 298 11.585 12.648 -19.569 1.00 1.43 H new ATOM 0 HD11 LEU A 298 12.693 12.330 -21.747 1.00 72.15 H new ATOM 0 HD12 LEU A 298 13.839 12.337 -20.385 1.00 72.15 H new ATOM 0 HD13 LEU A 298 13.383 10.799 -21.156 1.00 72.15 H new ATOM 0 HD21 LEU A 298 10.393 11.558 -21.459 1.00 74.34 H new ATOM 0 HD22 LEU A 298 10.877 9.968 -20.824 1.00 74.34 H new ATOM 0 HD23 LEU A 298 9.796 11.014 -19.874 1.00 74.34 H new ATOM 40 N LYS A 299 15.033 11.018 -17.296 1.00 1.14 N ATOM 41 CA LYS A 299 16.481 11.150 -17.387 1.00 73.23 C ATOM 42 C LYS A 299 16.954 12.120 -16.329 1.00 2.00 C ATOM 43 O LYS A 299 17.974 12.806 -16.492 1.00 0.43 O ATOM 44 CB LYS A 299 17.022 11.585 -18.774 1.00 45.11 C ATOM 45 CG LYS A 299 16.607 10.646 -19.937 1.00 52.34 C ATOM 46 CD LYS A 299 16.922 9.142 -19.713 1.00 21.21 C ATOM 47 CE LYS A 299 18.413 8.813 -19.490 1.00 23.50 C ATOM 48 NZ LYS A 299 19.283 9.797 -20.170 1.00 54.31 N ATOM 0 H LYS A 299 14.721 10.088 -17.017 1.00 1.14 H new ATOM 0 HA LYS A 299 16.881 10.149 -17.228 1.00 73.23 H new ATOM 0 HB2 LYS A 299 16.668 12.593 -18.991 1.00 45.11 H new ATOM 0 HB3 LYS A 299 18.110 11.632 -18.730 1.00 45.11 H new ATOM 0 HG2 LYS A 299 15.536 10.756 -20.107 1.00 52.34 H new ATOM 0 HG3 LYS A 299 17.110 10.975 -20.846 1.00 52.34 H new ATOM 0 HD2 LYS A 299 16.356 8.792 -18.850 1.00 21.21 H new ATOM 0 HD3 LYS A 299 16.567 8.580 -20.576 1.00 21.21 H new ATOM 0 HE2 LYS A 299 18.631 8.807 -18.422 1.00 23.50 H new ATOM 0 HE3 LYS A 299 18.628 7.812 -19.865 1.00 23.50 H new ATOM 0 HZ1 LYS A 299 20.241 9.404 -20.269 1.00 54.31 H new ATOM 0 HZ2 LYS A 299 18.897 10.010 -21.112 1.00 54.31 H new ATOM 0 HZ3 LYS A 299 19.324 10.671 -19.608 1.00 54.31 H new ATOM 62 N SER A 300 16.200 12.204 -15.222 1.00 3.12 N ATOM 63 CA SER A 300 16.586 13.017 -14.107 1.00 12.04 C ATOM 64 C SER A 300 17.296 12.073 -13.177 1.00 55.23 C ATOM 65 O SER A 300 17.614 10.959 -13.563 1.00 3.53 O ATOM 66 CB SER A 300 15.377 13.637 -13.362 1.00 32.21 C ATOM 67 OG SER A 300 14.324 13.957 -14.279 1.00 2.40 O ATOM 0 H SER A 300 15.318 11.708 -15.095 1.00 3.12 H new ATOM 0 HA SER A 300 17.195 13.855 -14.446 1.00 12.04 H new ATOM 0 HB2 SER A 300 15.010 12.938 -12.610 1.00 32.21 H new ATOM 0 HB3 SER A 300 15.692 14.537 -12.834 1.00 32.21 H new ATOM 0 HG SER A 300 13.570 14.345 -13.788 1.00 2.40 H new ATOM 73 N ALA A 301 17.548 12.484 -11.928 1.00 41.01 N ATOM 74 CA ALA A 301 18.256 11.623 -11.002 1.00 13.55 C ATOM 75 C ALA A 301 17.335 10.504 -10.564 1.00 40.31 C ATOM 76 O ALA A 301 16.175 10.732 -10.227 1.00 4.35 O ATOM 77 CB ALA A 301 18.751 12.350 -9.733 1.00 62.14 C ATOM 0 H ALA A 301 17.274 13.391 -11.550 1.00 41.01 H new ATOM 0 HA ALA A 301 19.133 11.255 -11.535 1.00 13.55 H new ATOM 0 HB1 ALA A 301 19.271 11.642 -9.088 1.00 62.14 H new ATOM 0 HB2 ALA A 301 19.433 13.152 -10.016 1.00 62.14 H new ATOM 0 HB3 ALA A 301 17.899 12.770 -9.198 1.00 62.14 H new ATOM 83 N CYS A 302 17.863 9.243 -10.617 1.00 65.22 N ATOM 84 CA CYS A 302 17.175 8.032 -10.126 1.00 52.23 C ATOM 85 C CYS A 302 16.830 8.312 -8.692 1.00 22.22 C ATOM 86 O CYS A 302 17.719 8.382 -7.877 1.00 13.50 O ATOM 87 CB CYS A 302 18.134 6.781 -10.207 1.00 40.05 C ATOM 88 SG CYS A 302 17.511 5.183 -9.482 1.00 41.41 S ATOM 0 H CYS A 302 18.786 9.050 -11.007 1.00 65.22 H new ATOM 0 HA CYS A 302 16.292 7.808 -10.724 1.00 52.23 H new ATOM 0 HB2 CYS A 302 18.373 6.606 -11.256 1.00 40.05 H new ATOM 0 HB3 CYS A 302 19.067 7.038 -9.706 1.00 40.05 H new ATOM 93 N VAL A 303 15.512 8.306 -8.366 1.00 60.23 N ATOM 94 CA VAL A 303 15.005 8.846 -7.095 1.00 1.53 C ATOM 95 C VAL A 303 15.438 8.004 -5.919 1.00 55.21 C ATOM 96 O VAL A 303 15.363 8.444 -4.778 1.00 64.33 O ATOM 97 CB VAL A 303 13.490 8.957 -7.064 1.00 31.35 C ATOM 98 CG1 VAL A 303 13.024 9.768 -8.283 1.00 0.51 C ATOM 99 CG2 VAL A 303 12.850 7.551 -7.026 1.00 21.51 C ATOM 0 H VAL A 303 14.785 7.930 -8.974 1.00 60.23 H new ATOM 0 HA VAL A 303 15.434 9.845 -7.019 1.00 1.53 H new ATOM 0 HB VAL A 303 13.170 9.478 -6.161 1.00 31.35 H new ATOM 0 HG11 VAL A 303 11.937 9.853 -8.270 1.00 0.51 H new ATOM 0 HG12 VAL A 303 13.466 10.764 -8.248 1.00 0.51 H new ATOM 0 HG13 VAL A 303 13.337 9.263 -9.197 1.00 0.51 H new ATOM 0 HG21 VAL A 303 11.764 7.646 -7.004 1.00 21.51 H new ATOM 0 HG22 VAL A 303 13.148 6.992 -7.913 1.00 21.51 H new ATOM 0 HG23 VAL A 303 13.186 7.022 -6.134 1.00 21.51 H new ATOM 109 N VAL A 304 15.886 6.776 -6.187 1.00 52.44 N ATOM 110 CA VAL A 304 16.267 5.883 -5.125 1.00 52.14 C ATOM 111 C VAL A 304 17.725 6.112 -4.783 1.00 61.13 C ATOM 112 O VAL A 304 18.076 6.207 -3.613 1.00 1.01 O ATOM 113 CB VAL A 304 16.080 4.405 -5.490 1.00 44.11 C ATOM 114 CG1 VAL A 304 15.649 3.637 -4.231 1.00 12.12 C ATOM 115 CG2 VAL A 304 15.029 4.282 -6.625 1.00 53.52 C ATOM 0 H VAL A 304 15.988 6.392 -7.127 1.00 52.44 H new ATOM 0 HA VAL A 304 15.617 6.100 -4.277 1.00 52.14 H new ATOM 0 HB VAL A 304 17.013 3.976 -5.854 1.00 44.11 H new ATOM 0 HG11 VAL A 304 15.512 2.584 -4.476 1.00 12.12 H new ATOM 0 HG12 VAL A 304 16.418 3.734 -3.464 1.00 12.12 H new ATOM 0 HG13 VAL A 304 14.711 4.047 -3.858 1.00 12.12 H new ATOM 0 HG21 VAL A 304 14.896 3.232 -6.885 1.00 53.52 H new ATOM 0 HG22 VAL A 304 14.079 4.696 -6.287 1.00 53.52 H new ATOM 0 HG23 VAL A 304 15.373 4.832 -7.501 1.00 53.52 H new ATOM 125 N CYS A 305 18.613 6.217 -5.808 1.00 63.32 N ATOM 126 CA CYS A 305 20.042 6.310 -5.513 1.00 41.05 C ATOM 127 C CYS A 305 20.480 7.763 -5.441 1.00 43.21 C ATOM 128 O CYS A 305 21.248 8.128 -4.570 1.00 62.24 O ATOM 129 CB CYS A 305 20.967 5.458 -6.461 1.00 12.01 C ATOM 130 SG CYS A 305 20.805 5.806 -8.246 1.00 4.10 S ATOM 0 H CYS A 305 18.367 6.238 -6.798 1.00 63.32 H new ATOM 0 HA CYS A 305 20.174 5.854 -4.532 1.00 41.05 H new ATOM 0 HB2 CYS A 305 22.004 5.623 -6.170 1.00 12.01 H new ATOM 0 HB3 CYS A 305 20.753 4.402 -6.294 1.00 12.01 H new ATOM 135 N LEU A 306 20.019 8.595 -6.423 1.00 53.52 N ATOM 136 CA LEU A 306 20.288 10.054 -6.469 1.00 3.23 C ATOM 137 C LEU A 306 21.684 10.242 -6.984 1.00 5.21 C ATOM 138 O LEU A 306 22.344 11.236 -6.700 1.00 41.44 O ATOM 139 CB LEU A 306 20.137 10.850 -5.117 1.00 40.53 C ATOM 140 CG LEU A 306 18.681 11.002 -4.606 1.00 54.35 C ATOM 141 CD1 LEU A 306 17.692 11.414 -5.706 1.00 61.24 C ATOM 142 CD2 LEU A 306 18.196 9.781 -3.809 1.00 13.34 C ATOM 0 H LEU A 306 19.450 8.265 -7.203 1.00 53.52 H new ATOM 0 HA LEU A 306 19.515 10.471 -7.114 1.00 3.23 H new ATOM 0 HB2 LEU A 306 20.725 10.347 -4.349 1.00 40.53 H new ATOM 0 HB3 LEU A 306 20.566 11.843 -5.248 1.00 40.53 H new ATOM 0 HG LEU A 306 18.709 11.834 -3.903 1.00 54.35 H new ATOM 0 HD11 LEU A 306 16.692 11.503 -5.282 1.00 61.24 H new ATOM 0 HD12 LEU A 306 17.994 12.373 -6.126 1.00 61.24 H new ATOM 0 HD13 LEU A 306 17.687 10.659 -6.492 1.00 61.24 H new ATOM 0 HD21 LEU A 306 17.171 9.946 -3.478 1.00 13.34 H new ATOM 0 HD22 LEU A 306 18.234 8.895 -4.442 1.00 13.34 H new ATOM 0 HD23 LEU A 306 18.838 9.635 -2.941 1.00 13.34 H new ATOM 154 N SER A 307 22.157 9.275 -7.770 1.00 32.34 N ATOM 155 CA SER A 307 23.496 9.324 -8.296 1.00 55.11 C ATOM 156 C SER A 307 23.407 9.148 -9.792 1.00 41.01 C ATOM 157 O SER A 307 23.897 9.974 -10.560 1.00 35.33 O ATOM 158 CB SER A 307 24.396 8.214 -7.693 1.00 0.31 C ATOM 159 OG SER A 307 23.607 7.307 -6.902 1.00 34.14 O ATOM 0 H SER A 307 21.622 8.453 -8.049 1.00 32.34 H new ATOM 0 HA SER A 307 23.948 10.281 -8.034 1.00 55.11 H new ATOM 0 HB2 SER A 307 24.897 7.669 -8.492 1.00 0.31 H new ATOM 0 HB3 SER A 307 25.175 8.663 -7.076 1.00 0.31 H new ATOM 0 HG SER A 307 22.911 6.904 -7.463 1.00 34.14 H new ATOM 165 N SER A 308 22.742 8.059 -10.229 1.00 61.13 N ATOM 166 CA SER A 308 22.639 7.758 -11.647 1.00 35.51 C ATOM 167 C SER A 308 21.343 8.323 -12.117 1.00 24.53 C ATOM 168 O SER A 308 20.430 8.576 -11.298 1.00 72.34 O ATOM 169 CB SER A 308 22.622 6.243 -11.957 1.00 4.12 C ATOM 170 OG SER A 308 21.833 5.532 -10.988 1.00 60.11 O ATOM 0 H SER A 308 22.277 7.388 -9.617 1.00 61.13 H new ATOM 0 HA SER A 308 23.512 8.182 -12.143 1.00 35.51 H new ATOM 0 HB2 SER A 308 22.217 6.076 -12.955 1.00 4.12 H new ATOM 0 HB3 SER A 308 23.641 5.856 -11.957 1.00 4.12 H new ATOM 0 HG SER A 308 21.397 4.767 -11.419 1.00 60.11 H new ATOM 176 N PHE A 309 21.195 8.461 -13.446 1.00 52.35 N ATOM 177 CA PHE A 309 19.968 8.963 -14.024 1.00 15.31 C ATOM 178 C PHE A 309 18.944 7.868 -13.935 1.00 53.04 C ATOM 179 O PHE A 309 19.279 6.683 -13.793 1.00 11.05 O ATOM 180 CB PHE A 309 20.081 9.335 -15.530 1.00 5.01 C ATOM 181 CG PHE A 309 21.152 10.333 -15.868 1.00 44.54 C ATOM 182 CD1 PHE A 309 21.241 11.526 -15.186 1.00 3.12 C ATOM 183 CD2 PHE A 309 22.060 10.077 -16.881 1.00 33.21 C ATOM 184 CE1 PHE A 309 22.209 12.437 -15.510 1.00 54.11 C ATOM 185 CE2 PHE A 309 23.030 10.995 -17.196 1.00 40.42 C ATOM 186 CZ PHE A 309 23.103 12.174 -16.512 1.00 60.35 C ATOM 0 H PHE A 309 21.918 8.228 -14.127 1.00 52.35 H new ATOM 0 HA PHE A 309 19.709 9.868 -13.474 1.00 15.31 H new ATOM 0 HB2 PHE A 309 20.264 8.424 -16.099 1.00 5.01 H new ATOM 0 HB3 PHE A 309 19.121 9.731 -15.862 1.00 5.01 H new ATOM 0 HD1 PHE A 309 20.543 11.744 -14.391 1.00 3.12 H new ATOM 0 HD2 PHE A 309 22.005 9.147 -17.428 1.00 33.21 H new ATOM 0 HE1 PHE A 309 22.268 13.371 -14.971 1.00 54.11 H new ATOM 0 HE2 PHE A 309 23.736 10.785 -17.986 1.00 40.42 H new ATOM 0 HZ PHE A 309 23.865 12.898 -16.761 1.00 60.35 H new ATOM 196 N LYS A 310 17.658 8.250 -13.931 1.00 32.30 N ATOM 197 CA LYS A 310 16.598 7.283 -13.960 1.00 34.31 C ATOM 198 C LYS A 310 16.449 6.853 -15.378 1.00 32.34 C ATOM 199 O LYS A 310 16.286 7.676 -16.279 1.00 3.50 O ATOM 200 CB LYS A 310 15.232 7.802 -13.457 1.00 2.30 C ATOM 201 CG LYS A 310 14.967 9.271 -13.757 1.00 31.25 C ATOM 202 CD LYS A 310 13.571 9.505 -14.297 1.00 21.25 C ATOM 203 CE LYS A 310 12.960 10.832 -13.868 1.00 52.41 C ATOM 204 NZ LYS A 310 12.821 10.891 -12.398 1.00 3.02 N ATOM 0 H LYS A 310 17.348 9.221 -13.908 1.00 32.30 H new ATOM 0 HA LYS A 310 16.873 6.476 -13.281 1.00 34.31 H new ATOM 0 HB2 LYS A 310 14.441 7.203 -13.909 1.00 2.30 H new ATOM 0 HB3 LYS A 310 15.173 7.648 -12.380 1.00 2.30 H new ATOM 0 HG2 LYS A 310 15.105 9.856 -12.848 1.00 31.25 H new ATOM 0 HG3 LYS A 310 15.699 9.629 -14.481 1.00 31.25 H new ATOM 0 HD2 LYS A 310 13.601 9.465 -15.386 1.00 21.25 H new ATOM 0 HD3 LYS A 310 12.923 8.693 -13.966 1.00 21.25 H new ATOM 0 HE2 LYS A 310 13.586 11.655 -14.213 1.00 52.41 H new ATOM 0 HE3 LYS A 310 11.984 10.957 -14.336 1.00 52.41 H new ATOM 0 HZ1 LYS A 310 11.813 10.931 -12.146 1.00 3.02 H new ATOM 0 HZ2 LYS A 310 13.251 10.044 -11.974 1.00 3.02 H new ATOM 0 HZ3 LYS A 310 13.301 11.740 -12.038 1.00 3.02 H new ATOM 218 N SER A 311 16.482 5.551 -15.581 1.00 11.14 N ATOM 219 CA SER A 311 16.468 4.987 -16.878 1.00 22.54 C ATOM 220 C SER A 311 15.391 3.938 -16.880 1.00 32.23 C ATOM 221 O SER A 311 15.522 2.910 -17.527 1.00 4.30 O ATOM 222 CB SER A 311 17.833 4.305 -17.207 1.00 2.43 C ATOM 223 OG SER A 311 18.528 3.940 -15.987 1.00 54.22 O ATOM 0 H SER A 311 16.520 4.863 -14.829 1.00 11.14 H new ATOM 0 HA SER A 311 16.291 5.764 -17.622 1.00 22.54 H new ATOM 0 HB2 SER A 311 17.665 3.417 -17.816 1.00 2.43 H new ATOM 0 HB3 SER A 311 18.452 4.982 -17.796 1.00 2.43 H new ATOM 0 HG SER A 311 19.381 3.512 -16.212 1.00 54.22 H new ATOM 229 N CYS A 312 14.286 4.170 -16.149 1.00 60.44 N ATOM 230 CA CYS A 312 13.235 3.180 -16.119 1.00 23.43 C ATOM 231 C CYS A 312 11.948 3.875 -15.830 1.00 41.45 C ATOM 232 O CYS A 312 11.812 4.608 -14.814 1.00 72.14 O ATOM 233 CB CYS A 312 13.402 2.068 -15.036 1.00 35.42 C ATOM 234 SG CYS A 312 14.733 0.874 -15.389 1.00 32.40 S ATOM 0 H CYS A 312 14.115 5.009 -15.595 1.00 60.44 H new ATOM 0 HA CYS A 312 13.267 2.687 -17.091 1.00 23.43 H new ATOM 0 HB2 CYS A 312 13.599 2.541 -14.074 1.00 35.42 H new ATOM 0 HB3 CYS A 312 12.461 1.527 -14.939 1.00 35.42 H new ATOM 0 HG CYS A 312 15.468 1.319 -16.364 1.00 32.40 H new ATOM 240 N VAL A 313 10.971 3.643 -16.728 1.00 23.14 N ATOM 241 CA VAL A 313 9.634 4.095 -16.552 1.00 42.01 C ATOM 242 C VAL A 313 8.951 2.894 -15.994 1.00 22.21 C ATOM 243 O VAL A 313 9.070 1.796 -16.539 1.00 72.23 O ATOM 244 CB VAL A 313 8.923 4.466 -17.855 1.00 21.50 C ATOM 245 CG1 VAL A 313 7.552 5.089 -17.528 1.00 43.32 C ATOM 246 CG2 VAL A 313 9.801 5.422 -18.680 1.00 23.42 C ATOM 0 H VAL A 313 11.120 3.128 -17.596 1.00 23.14 H new ATOM 0 HA VAL A 313 9.617 4.995 -15.938 1.00 42.01 H new ATOM 0 HB VAL A 313 8.757 3.572 -18.457 1.00 21.50 H new ATOM 0 HG11 VAL A 313 7.043 5.355 -18.454 1.00 43.32 H new ATOM 0 HG12 VAL A 313 6.948 4.370 -16.975 1.00 43.32 H new ATOM 0 HG13 VAL A 313 7.694 5.984 -16.923 1.00 43.32 H new ATOM 0 HG21 VAL A 313 9.287 5.681 -19.606 1.00 23.42 H new ATOM 0 HG22 VAL A 313 9.992 6.328 -18.105 1.00 23.42 H new ATOM 0 HG23 VAL A 313 10.748 4.935 -18.915 1.00 23.42 H new ATOM 256 N PHE A 314 8.252 3.054 -14.891 1.00 53.34 N ATOM 257 CA PHE A 314 7.583 1.940 -14.301 1.00 71.45 C ATOM 258 C PHE A 314 6.215 1.927 -14.869 1.00 24.23 C ATOM 259 O PHE A 314 5.414 2.888 -14.662 1.00 41.12 O ATOM 260 CB PHE A 314 7.501 2.010 -12.761 1.00 11.23 C ATOM 261 CG PHE A 314 8.807 1.686 -12.065 1.00 73.15 C ATOM 262 CD1 PHE A 314 9.649 0.686 -12.549 1.00 13.03 C ATOM 263 CD2 PHE A 314 9.188 2.375 -10.931 1.00 54.02 C ATOM 264 CE1 PHE A 314 10.821 0.393 -11.910 1.00 25.54 C ATOM 265 CE2 PHE A 314 10.369 2.072 -10.297 1.00 54.21 C ATOM 266 CZ PHE A 314 11.181 1.083 -10.788 1.00 0.53 C ATOM 0 H PHE A 314 8.139 3.939 -14.397 1.00 53.34 H new ATOM 0 HA PHE A 314 8.146 1.034 -14.524 1.00 71.45 H new ATOM 0 HB2 PHE A 314 7.182 3.010 -12.468 1.00 11.23 H new ATOM 0 HB3 PHE A 314 6.734 1.317 -12.415 1.00 11.23 H new ATOM 0 HD1 PHE A 314 9.373 0.138 -13.437 1.00 13.03 H new ATOM 0 HD2 PHE A 314 8.554 3.157 -10.540 1.00 54.02 H new ATOM 0 HE1 PHE A 314 11.464 -0.386 -12.293 1.00 25.54 H new ATOM 0 HE2 PHE A 314 10.658 2.615 -9.409 1.00 54.21 H new ATOM 0 HZ PHE A 314 12.108 0.849 -10.286 1.00 0.53 H new ATOM 276 N LEU A 315 5.885 0.828 -15.594 1.00 41.41 N ATOM 277 CA LEU A 315 4.607 0.728 -16.215 1.00 40.44 C ATOM 278 C LEU A 315 3.688 0.329 -15.135 1.00 63.54 C ATOM 279 O LEU A 315 3.720 -0.790 -14.646 1.00 3.15 O ATOM 280 CB LEU A 315 4.568 -0.392 -17.281 1.00 75.44 C ATOM 281 CG LEU A 315 3.635 -0.108 -18.458 1.00 13.32 C ATOM 282 CD1 LEU A 315 4.013 -0.923 -19.701 1.00 22.15 C ATOM 283 CD2 LEU A 315 2.153 -0.281 -18.088 1.00 54.14 C ATOM 0 H LEU A 315 6.499 0.027 -15.742 1.00 41.41 H new ATOM 0 HA LEU A 315 4.354 1.669 -16.703 1.00 40.44 H new ATOM 0 HB2 LEU A 315 5.577 -0.550 -17.662 1.00 75.44 H new ATOM 0 HB3 LEU A 315 4.259 -1.322 -16.803 1.00 75.44 H new ATOM 0 HG LEU A 315 3.771 0.943 -18.712 1.00 13.32 H new ATOM 0 HD11 LEU A 315 3.324 -0.690 -20.513 1.00 22.15 H new ATOM 0 HD12 LEU A 315 5.029 -0.673 -20.005 1.00 22.15 H new ATOM 0 HD13 LEU A 315 3.955 -1.987 -19.470 1.00 22.15 H new ATOM 0 HD21 LEU A 315 1.533 -0.068 -18.959 1.00 54.14 H new ATOM 0 HD22 LEU A 315 1.977 -1.305 -17.760 1.00 54.14 H new ATOM 0 HD23 LEU A 315 1.896 0.407 -17.283 1.00 54.14 H new ATOM 295 N GLU A 316 3.036 1.295 -14.610 1.00 75.43 N ATOM 296 CA GLU A 316 1.950 1.123 -13.755 1.00 15.30 C ATOM 297 C GLU A 316 1.065 2.246 -14.122 1.00 13.31 C ATOM 298 O GLU A 316 -0.019 2.134 -14.648 1.00 42.02 O ATOM 299 CB GLU A 316 2.312 1.160 -12.252 1.00 32.43 C ATOM 300 CG GLU A 316 3.833 1.244 -11.986 1.00 3.53 C ATOM 301 CD GLU A 316 4.067 1.648 -10.556 1.00 41.11 C ATOM 302 OE1 GLU A 316 4.942 1.081 -9.919 1.00 20.13 O ATOM 303 OE2 GLU A 316 3.421 2.642 -10.099 1.00 71.34 O ATOM 0 H GLU A 316 3.266 2.274 -14.780 1.00 75.43 H new ATOM 0 HA GLU A 316 1.500 0.137 -13.874 1.00 15.30 H new ATOM 0 HB2 GLU A 316 1.822 2.017 -11.789 1.00 32.43 H new ATOM 0 HB3 GLU A 316 1.915 0.267 -11.769 1.00 32.43 H new ATOM 0 HG2 GLU A 316 4.302 0.280 -12.185 1.00 3.53 H new ATOM 0 HG3 GLU A 316 4.292 1.967 -12.660 1.00 3.53 H new ATOM 310 N CYS A 317 1.676 3.404 -13.826 1.00 53.42 N ATOM 311 CA CYS A 317 1.108 4.718 -13.866 1.00 43.05 C ATOM 312 C CYS A 317 1.927 5.545 -14.857 1.00 2.30 C ATOM 313 O CYS A 317 1.529 6.640 -15.213 1.00 52.42 O ATOM 314 CB CYS A 317 1.326 5.381 -12.470 1.00 31.35 C ATOM 315 SG CYS A 317 2.976 4.822 -11.843 1.00 24.30 S ATOM 0 H CYS A 317 2.653 3.424 -13.533 1.00 53.42 H new ATOM 0 HA CYS A 317 0.053 4.671 -14.136 1.00 43.05 H new ATOM 0 HB2 CYS A 317 1.295 6.467 -12.552 1.00 31.35 H new ATOM 0 HB3 CYS A 317 0.534 5.090 -11.779 1.00 31.35 H new ATOM 320 N GLY A 318 3.129 5.038 -15.317 1.00 52.45 N ATOM 321 CA GLY A 318 3.957 5.837 -16.232 1.00 33.10 C ATOM 322 C GLY A 318 4.891 6.747 -15.464 1.00 72.43 C ATOM 323 O GLY A 318 5.318 7.769 -15.984 1.00 4.22 O ATOM 0 H GLY A 318 3.510 4.124 -15.070 1.00 52.45 H new ATOM 0 HA2 GLY A 318 4.536 5.175 -16.876 1.00 33.10 H new ATOM 0 HA3 GLY A 318 3.316 6.433 -16.882 1.00 33.10 H new ATOM 327 N HIS A 319 5.222 6.412 -14.193 1.00 34.30 N ATOM 328 CA HIS A 319 6.152 7.256 -13.423 1.00 21.20 C ATOM 329 C HIS A 319 7.536 6.824 -13.844 1.00 62.21 C ATOM 330 O HIS A 319 7.794 5.626 -13.935 1.00 54.24 O ATOM 331 CB HIS A 319 6.038 7.073 -11.870 1.00 11.44 C ATOM 332 CG HIS A 319 5.221 8.148 -11.129 1.00 55.21 C ATOM 333 ND1 HIS A 319 4.334 7.787 -10.102 1.00 71.11 N ATOM 334 CD2 HIS A 319 5.214 9.494 -11.288 1.00 41.04 C ATOM 335 CE1 HIS A 319 3.823 8.919 -9.677 1.00 32.43 C ATOM 336 NE2 HIS A 319 4.321 9.984 -10.358 1.00 24.34 N ATOM 0 H HIS A 319 4.871 5.592 -13.698 1.00 34.30 H new ATOM 0 HA HIS A 319 5.924 8.302 -13.626 1.00 21.20 H new ATOM 0 HB2 HIS A 319 5.590 6.100 -11.669 1.00 11.44 H new ATOM 0 HB3 HIS A 319 7.044 7.054 -11.450 1.00 11.44 H new ATOM 0 HD2 HIS A 319 5.791 10.067 -11.999 1.00 41.04 H new ATOM 0 HE1 HIS A 319 3.095 8.995 -8.883 1.00 32.43 H new ATOM 0 HE2 HIS A 319 4.079 10.964 -10.209 1.00 24.34 H new ATOM 344 N VAL A 320 8.462 7.777 -14.011 1.00 23.20 N ATOM 345 CA VAL A 320 9.817 7.458 -14.424 1.00 11.20 C ATOM 346 C VAL A 320 10.615 7.780 -13.219 1.00 73.52 C ATOM 347 O VAL A 320 10.579 8.917 -12.763 1.00 5.12 O ATOM 348 CB VAL A 320 10.317 8.322 -15.583 1.00 73.32 C ATOM 349 CG1 VAL A 320 11.471 7.591 -16.287 1.00 52.12 C ATOM 350 CG2 VAL A 320 9.140 8.610 -16.540 1.00 42.11 C ATOM 0 H VAL A 320 8.289 8.771 -13.864 1.00 23.20 H new ATOM 0 HA VAL A 320 9.886 6.428 -14.774 1.00 11.20 H new ATOM 0 HB VAL A 320 10.696 9.279 -15.224 1.00 73.32 H new ATOM 0 HG11 VAL A 320 11.835 8.199 -17.115 1.00 52.12 H new ATOM 0 HG12 VAL A 320 12.281 7.422 -15.578 1.00 52.12 H new ATOM 0 HG13 VAL A 320 11.116 6.633 -16.668 1.00 52.12 H new ATOM 0 HG21 VAL A 320 9.488 9.226 -17.369 1.00 42.11 H new ATOM 0 HG22 VAL A 320 8.747 7.670 -16.926 1.00 42.11 H new ATOM 0 HG23 VAL A 320 8.354 9.138 -16.001 1.00 42.11 H new ATOM 360 N CYS A 321 11.315 6.792 -12.597 1.00 65.43 N ATOM 361 CA CYS A 321 11.985 7.173 -11.362 1.00 0.22 C ATOM 362 C CYS A 321 13.191 6.316 -11.043 1.00 51.53 C ATOM 363 O CYS A 321 14.059 6.755 -10.264 1.00 51.33 O ATOM 364 CB CYS A 321 11.025 7.156 -10.134 1.00 24.13 C ATOM 365 SG CYS A 321 9.529 6.127 -10.405 1.00 22.10 S ATOM 0 H CYS A 321 11.417 5.825 -12.904 1.00 65.43 H new ATOM 0 HA CYS A 321 12.324 8.193 -11.545 1.00 0.22 H new ATOM 0 HB2 CYS A 321 11.564 6.781 -9.264 1.00 24.13 H new ATOM 0 HB3 CYS A 321 10.720 8.177 -9.904 1.00 24.13 H new ATOM 0 HG CYS A 321 9.879 4.885 -10.561 1.00 22.10 H new ATOM 371 N SER A 322 13.334 5.098 -11.604 1.00 34.11 N ATOM 372 CA SER A 322 14.427 4.252 -11.150 1.00 22.42 C ATOM 373 C SER A 322 15.411 4.082 -12.247 1.00 62.14 C ATOM 374 O SER A 322 15.242 4.570 -13.320 1.00 5.32 O ATOM 375 CB SER A 322 14.006 2.858 -10.618 1.00 51.01 C ATOM 376 OG SER A 322 14.979 2.380 -9.655 1.00 44.43 O ATOM 0 H SER A 322 12.737 4.705 -12.331 1.00 34.11 H new ATOM 0 HA SER A 322 14.860 4.773 -10.296 1.00 22.42 H new ATOM 0 HB2 SER A 322 13.022 2.919 -10.153 1.00 51.01 H new ATOM 0 HB3 SER A 322 13.925 2.153 -11.446 1.00 51.01 H new ATOM 0 HG SER A 322 14.705 1.500 -9.323 1.00 44.43 H new ATOM 382 N CYS A 323 16.500 3.368 -11.928 1.00 5.25 N ATOM 383 CA CYS A 323 17.567 3.123 -12.856 1.00 1.21 C ATOM 384 C CYS A 323 17.661 1.648 -12.873 1.00 1.33 C ATOM 385 O CYS A 323 17.382 1.026 -11.838 1.00 5.33 O ATOM 386 CB CYS A 323 18.960 3.829 -12.494 1.00 11.13 C ATOM 387 SG CYS A 323 20.027 3.025 -11.221 1.00 60.31 S ATOM 0 H CYS A 323 16.648 2.950 -11.009 1.00 5.25 H new ATOM 0 HA CYS A 323 17.353 3.561 -13.831 1.00 1.21 H new ATOM 0 HB2 CYS A 323 19.541 3.914 -13.412 1.00 11.13 H new ATOM 0 HB3 CYS A 323 18.744 4.843 -12.158 1.00 11.13 H new ATOM 392 N THR A 324 18.033 1.065 -14.020 1.00 73.12 N ATOM 393 CA THR A 324 17.988 -0.381 -14.250 1.00 14.10 C ATOM 394 C THR A 324 18.658 -1.165 -13.137 1.00 0.50 C ATOM 395 O THR A 324 18.046 -2.069 -12.566 1.00 11.40 O ATOM 396 CB THR A 324 18.589 -0.778 -15.588 1.00 24.21 C ATOM 397 OG1 THR A 324 18.647 0.375 -16.458 1.00 40.33 O ATOM 398 CG2 THR A 324 17.700 -1.870 -16.216 1.00 22.34 C ATOM 0 H THR A 324 18.377 1.592 -14.822 1.00 73.12 H new ATOM 0 HA THR A 324 16.928 -0.636 -14.262 1.00 14.10 H new ATOM 0 HB THR A 324 19.601 -1.159 -15.448 1.00 24.21 H new ATOM 0 HG1 THR A 324 19.288 0.208 -17.180 1.00 40.33 H new ATOM 0 HG21 THR A 324 18.116 -2.169 -17.178 1.00 22.34 H new ATOM 0 HG22 THR A 324 17.663 -2.734 -15.553 1.00 22.34 H new ATOM 0 HG23 THR A 324 16.693 -1.480 -16.361 1.00 22.34 H new ATOM 406 N GLU A 325 19.898 -0.785 -12.762 1.00 32.31 N ATOM 407 CA GLU A 325 20.657 -1.543 -11.773 1.00 3.13 C ATOM 408 C GLU A 325 19.958 -1.485 -10.435 1.00 73.11 C ATOM 409 O GLU A 325 20.014 -2.413 -9.674 1.00 53.33 O ATOM 410 CB GLU A 325 22.086 -1.009 -11.582 1.00 13.20 C ATOM 411 CG GLU A 325 23.010 -1.294 -12.784 1.00 20.24 C ATOM 412 CD GLU A 325 24.280 -0.458 -12.652 1.00 23.20 C ATOM 413 OE1 GLU A 325 25.276 -0.763 -13.383 1.00 0.43 O ATOM 414 OE2 GLU A 325 24.285 0.514 -11.830 1.00 1.21 O ATOM 0 H GLU A 325 20.381 0.034 -13.130 1.00 32.31 H new ATOM 0 HA GLU A 325 20.717 -2.565 -12.148 1.00 3.13 H new ATOM 0 HB2 GLU A 325 22.045 0.067 -11.412 1.00 13.20 H new ATOM 0 HB3 GLU A 325 22.517 -1.457 -10.687 1.00 13.20 H new ATOM 0 HG2 GLU A 325 23.261 -2.354 -12.822 1.00 20.24 H new ATOM 0 HG3 GLU A 325 22.498 -1.054 -13.716 1.00 20.24 H new ATOM 421 N CYS A 326 19.267 -0.372 -10.137 1.00 11.31 N ATOM 422 CA CYS A 326 18.582 -0.256 -8.842 1.00 73.35 C ATOM 423 C CYS A 326 17.449 -1.266 -8.821 1.00 74.41 C ATOM 424 O CYS A 326 17.210 -1.921 -7.805 1.00 34.23 O ATOM 425 CB CYS A 326 17.944 1.150 -8.562 1.00 12.13 C ATOM 426 SG CYS A 326 18.976 2.303 -7.579 1.00 12.13 S ATOM 0 H CYS A 326 19.170 0.435 -10.753 1.00 11.31 H new ATOM 0 HA CYS A 326 19.342 -0.424 -8.079 1.00 73.35 H new ATOM 0 HB2 CYS A 326 17.713 1.621 -9.517 1.00 12.13 H new ATOM 0 HB3 CYS A 326 16.998 1.003 -8.041 1.00 12.13 H new ATOM 431 N TYR A 327 16.704 -1.367 -9.946 1.00 1.14 N ATOM 432 CA TYR A 327 15.548 -2.236 -10.005 1.00 53.51 C ATOM 433 C TYR A 327 16.001 -3.671 -9.925 1.00 40.03 C ATOM 434 O TYR A 327 15.789 -4.342 -8.911 1.00 65.21 O ATOM 435 CB TYR A 327 14.739 -2.034 -11.338 1.00 2.03 C ATOM 436 CG TYR A 327 13.543 -2.942 -11.549 1.00 15.30 C ATOM 437 CD1 TYR A 327 12.341 -2.686 -10.924 1.00 15.14 C ATOM 438 CD2 TYR A 327 13.631 -4.039 -12.390 1.00 22.40 C ATOM 439 CE1 TYR A 327 11.255 -3.505 -11.133 1.00 25.31 C ATOM 440 CE2 TYR A 327 12.547 -4.855 -12.593 1.00 42.42 C ATOM 441 CZ TYR A 327 11.358 -4.590 -11.968 1.00 12.12 C ATOM 442 OH TYR A 327 10.242 -5.427 -12.182 1.00 32.23 O ATOM 0 H TYR A 327 16.895 -0.855 -10.807 1.00 1.14 H new ATOM 0 HA TYR A 327 14.898 -1.987 -9.166 1.00 53.51 H new ATOM 0 HB2 TYR A 327 14.393 -1.001 -11.374 1.00 2.03 H new ATOM 0 HB3 TYR A 327 15.423 -2.171 -12.176 1.00 2.03 H new ATOM 0 HD1 TYR A 327 12.251 -1.835 -10.265 1.00 15.14 H new ATOM 0 HD2 TYR A 327 14.563 -4.254 -12.891 1.00 22.40 H new ATOM 0 HE1 TYR A 327 10.318 -3.294 -10.638 1.00 25.31 H new ATOM 0 HE2 TYR A 327 12.632 -5.709 -13.248 1.00 42.42 H new ATOM 0 HH TYR A 327 10.487 -6.147 -12.801 1.00 32.23 H new ATOM 452 N ARG A 328 16.786 -4.101 -10.940 1.00 14.23 N ATOM 453 CA ARG A 328 17.103 -5.510 -11.121 1.00 1.44 C ATOM 454 C ARG A 328 17.908 -6.038 -9.973 1.00 2.01 C ATOM 455 O ARG A 328 17.864 -7.239 -9.677 1.00 33.14 O ATOM 456 CB ARG A 328 17.830 -5.832 -12.451 1.00 60.12 C ATOM 457 CG ARG A 328 19.195 -5.142 -12.634 1.00 4.13 C ATOM 458 CD ARG A 328 20.399 -6.062 -12.351 1.00 42.02 C ATOM 459 NE ARG A 328 20.684 -6.894 -13.570 1.00 74.14 N ATOM 460 CZ ARG A 328 20.373 -8.238 -13.619 1.00 61.41 C ATOM 461 NH1 ARG A 328 19.682 -8.840 -12.600 1.00 40.03 N ATOM 462 NH2 ARG A 328 20.741 -8.972 -14.711 1.00 74.14 N ATOM 0 H ARG A 328 17.203 -3.484 -11.636 1.00 14.23 H new ATOM 0 HA ARG A 328 16.135 -6.010 -11.161 1.00 1.44 H new ATOM 0 HB2 ARG A 328 17.974 -6.910 -12.516 1.00 60.12 H new ATOM 0 HB3 ARG A 328 17.182 -5.546 -13.280 1.00 60.12 H new ATOM 0 HG2 ARG A 328 19.268 -4.767 -13.655 1.00 4.13 H new ATOM 0 HG3 ARG A 328 19.246 -4.278 -11.972 1.00 4.13 H new ATOM 0 HD2 ARG A 328 21.274 -5.466 -12.090 1.00 42.02 H new ATOM 0 HD3 ARG A 328 20.187 -6.706 -11.498 1.00 42.02 H new ATOM 0 HE ARG A 328 21.118 -6.454 -14.382 1.00 74.14 H new ATOM 0 HH11 ARG A 328 19.389 -8.294 -11.790 1.00 40.03 H new ATOM 0 HH12 ARG A 328 19.460 -9.834 -12.652 1.00 40.03 H new ATOM 0 HH21 ARG A 328 21.241 -8.526 -15.480 1.00 74.14 H new ATOM 0 HH22 ARG A 328 20.516 -9.966 -14.757 1.00 74.14 H new ATOM 476 N ALA A 329 18.645 -5.153 -9.289 1.00 34.12 N ATOM 477 CA ALA A 329 19.466 -5.585 -8.194 1.00 32.33 C ATOM 478 C ALA A 329 18.587 -5.907 -7.028 1.00 20.24 C ATOM 479 O ALA A 329 18.685 -6.980 -6.473 1.00 24.43 O ATOM 480 CB ALA A 329 20.471 -4.524 -7.723 1.00 35.35 C ATOM 0 H ALA A 329 18.678 -4.152 -9.484 1.00 34.12 H new ATOM 0 HA ALA A 329 20.027 -6.448 -8.553 1.00 32.33 H new ATOM 0 HB1 ALA A 329 21.057 -4.920 -6.894 1.00 35.35 H new ATOM 0 HB2 ALA A 329 21.137 -4.263 -8.546 1.00 35.35 H new ATOM 0 HB3 ALA A 329 19.934 -3.634 -7.395 1.00 35.35 H new ATOM 486 N LEU A 330 17.738 -4.951 -6.622 1.00 55.31 N ATOM 487 CA LEU A 330 16.933 -5.093 -5.401 1.00 12.04 C ATOM 488 C LEU A 330 15.790 -6.021 -5.679 1.00 34.21 C ATOM 489 O LEU A 330 14.928 -5.670 -6.458 1.00 64.45 O ATOM 490 CB LEU A 330 16.334 -3.718 -4.969 1.00 2.21 C ATOM 491 CG LEU A 330 15.374 -3.735 -3.757 1.00 11.05 C ATOM 492 CD1 LEU A 330 15.853 -4.651 -2.612 1.00 21.32 C ATOM 493 CD2 LEU A 330 15.085 -2.311 -3.246 1.00 35.24 C ATOM 0 H LEU A 330 17.592 -4.073 -7.121 1.00 55.31 H new ATOM 0 HA LEU A 330 17.575 -5.477 -4.608 1.00 12.04 H new ATOM 0 HB2 LEU A 330 17.159 -3.043 -4.742 1.00 2.21 H new ATOM 0 HB3 LEU A 330 15.801 -3.295 -5.821 1.00 2.21 H new ATOM 0 HG LEU A 330 14.440 -4.164 -4.121 1.00 11.05 H new ATOM 0 HD11 LEU A 330 15.134 -4.617 -1.793 1.00 21.32 H new ATOM 0 HD12 LEU A 330 15.939 -5.675 -2.977 1.00 21.32 H new ATOM 0 HD13 LEU A 330 16.825 -4.310 -2.256 1.00 21.32 H new ATOM 0 HD21 LEU A 330 14.407 -2.361 -2.394 1.00 35.24 H new ATOM 0 HD22 LEU A 330 16.018 -1.838 -2.940 1.00 35.24 H new ATOM 0 HD23 LEU A 330 14.625 -1.725 -4.042 1.00 35.24 H new ATOM 505 N PRO A 331 15.731 -7.234 -5.100 1.00 43.45 N ATOM 506 CA PRO A 331 14.539 -8.008 -5.290 1.00 14.23 C ATOM 507 C PRO A 331 13.582 -7.889 -4.130 1.00 32.41 C ATOM 508 O PRO A 331 13.856 -8.318 -3.009 1.00 72.24 O ATOM 509 CB PRO A 331 15.103 -9.441 -5.357 1.00 20.10 C ATOM 510 CG PRO A 331 16.421 -9.400 -4.531 1.00 42.23 C ATOM 511 CD PRO A 331 16.716 -7.906 -4.264 1.00 11.40 C ATOM 0 HA PRO A 331 13.967 -7.692 -6.162 1.00 14.23 H new ATOM 0 HB2 PRO A 331 14.399 -10.161 -4.940 1.00 20.10 H new ATOM 0 HB3 PRO A 331 15.293 -9.742 -6.387 1.00 20.10 H new ATOM 0 HG2 PRO A 331 16.311 -9.948 -3.595 1.00 42.23 H new ATOM 0 HG3 PRO A 331 17.239 -9.866 -5.080 1.00 42.23 H new ATOM 0 HD2 PRO A 331 16.596 -7.651 -3.211 1.00 11.40 H new ATOM 0 HD3 PRO A 331 17.735 -7.638 -4.543 1.00 11.40 H new ATOM 519 N GLU A 332 12.451 -7.296 -4.404 1.00 4.04 N ATOM 520 CA GLU A 332 11.289 -7.296 -3.566 1.00 11.33 C ATOM 521 C GLU A 332 10.241 -7.175 -4.590 1.00 1.43 C ATOM 522 O GLU A 332 10.574 -7.035 -5.770 1.00 51.41 O ATOM 523 CB GLU A 332 11.205 -6.082 -2.591 1.00 42.54 C ATOM 524 CG GLU A 332 12.214 -4.983 -2.913 1.00 31.41 C ATOM 525 CD GLU A 332 11.871 -3.745 -2.113 1.00 12.14 C ATOM 526 OE1 GLU A 332 12.513 -3.531 -1.046 1.00 22.30 O ATOM 527 OE2 GLU A 332 10.974 -2.980 -2.556 1.00 13.13 O ATOM 0 H GLU A 332 12.311 -6.771 -5.267 1.00 4.04 H new ATOM 0 HA GLU A 332 11.244 -8.162 -2.906 1.00 11.33 H new ATOM 0 HB2 GLU A 332 10.199 -5.665 -2.626 1.00 42.54 H new ATOM 0 HB3 GLU A 332 11.370 -6.431 -1.571 1.00 42.54 H new ATOM 0 HG2 GLU A 332 13.223 -5.318 -2.674 1.00 31.41 H new ATOM 0 HG3 GLU A 332 12.197 -4.758 -3.979 1.00 31.41 H new ATOM 534 N PRO A 333 8.976 -7.186 -4.240 1.00 43.41 N ATOM 535 CA PRO A 333 8.047 -6.582 -5.150 1.00 0.21 C ATOM 536 C PRO A 333 8.216 -5.102 -4.929 1.00 55.03 C ATOM 537 O PRO A 333 8.033 -4.613 -3.801 1.00 73.34 O ATOM 538 CB PRO A 333 6.658 -7.061 -4.680 1.00 53.41 C ATOM 539 CG PRO A 333 6.856 -7.523 -3.223 1.00 33.34 C ATOM 540 CD PRO A 333 8.357 -7.804 -3.051 1.00 61.22 C ATOM 0 HA PRO A 333 8.183 -6.826 -6.204 1.00 0.21 H new ATOM 0 HB2 PRO A 333 5.924 -6.258 -4.741 1.00 53.41 H new ATOM 0 HB3 PRO A 333 6.291 -7.876 -5.304 1.00 53.41 H new ATOM 0 HG2 PRO A 333 6.523 -6.755 -2.525 1.00 33.34 H new ATOM 0 HG3 PRO A 333 6.268 -8.418 -3.017 1.00 33.34 H new ATOM 0 HD2 PRO A 333 8.741 -7.368 -2.129 1.00 61.22 H new ATOM 0 HD3 PRO A 333 8.560 -8.874 -3.006 1.00 61.22 H new ATOM 548 N LYS A 334 8.587 -4.359 -5.967 1.00 63.34 N ATOM 549 CA LYS A 334 8.906 -2.983 -5.766 1.00 42.33 C ATOM 550 C LYS A 334 7.693 -2.187 -5.996 1.00 74.32 C ATOM 551 O LYS A 334 6.842 -2.522 -6.844 1.00 41.42 O ATOM 552 CB LYS A 334 10.020 -2.471 -6.694 1.00 1.23 C ATOM 553 CG LYS A 334 11.411 -2.907 -6.242 1.00 33.31 C ATOM 554 CD LYS A 334 12.260 -3.442 -7.378 1.00 65.11 C ATOM 555 CE LYS A 334 12.127 -4.945 -7.556 1.00 3.41 C ATOM 556 NZ LYS A 334 12.915 -5.393 -8.716 1.00 42.02 N ATOM 0 H LYS A 334 8.668 -4.692 -6.928 1.00 63.34 H new ATOM 0 HA LYS A 334 9.274 -2.881 -4.745 1.00 42.33 H new ATOM 0 HB2 LYS A 334 9.840 -2.835 -7.705 1.00 1.23 H new ATOM 0 HB3 LYS A 334 9.981 -1.383 -6.736 1.00 1.23 H new ATOM 0 HG2 LYS A 334 11.920 -2.060 -5.782 1.00 33.31 H new ATOM 0 HG3 LYS A 334 11.314 -3.675 -5.475 1.00 33.31 H new ATOM 0 HD2 LYS A 334 11.974 -2.944 -8.305 1.00 65.11 H new ATOM 0 HD3 LYS A 334 13.305 -3.194 -7.192 1.00 65.11 H new ATOM 0 HE2 LYS A 334 12.469 -5.456 -6.656 1.00 3.41 H new ATOM 0 HE3 LYS A 334 11.079 -5.210 -7.695 1.00 3.41 H new ATOM 0 HZ1 LYS A 334 12.898 -6.432 -8.767 1.00 42.02 H new ATOM 0 HZ2 LYS A 334 12.507 -4.997 -9.587 1.00 42.02 H new ATOM 0 HZ3 LYS A 334 13.897 -5.067 -8.615 1.00 42.02 H new ATOM 570 N LYS A 335 7.580 -1.124 -5.219 1.00 53.21 N ATOM 571 CA LYS A 335 6.491 -0.235 -5.321 1.00 2.12 C ATOM 572 C LYS A 335 7.034 0.996 -5.947 1.00 32.14 C ATOM 573 O LYS A 335 8.219 1.293 -5.837 1.00 5.11 O ATOM 574 CB LYS A 335 5.876 0.140 -3.954 1.00 11.43 C ATOM 575 CG LYS A 335 5.521 -1.082 -3.094 1.00 64.11 C ATOM 576 CD LYS A 335 4.289 -1.855 -3.607 1.00 32.13 C ATOM 577 CE LYS A 335 4.585 -3.311 -4.004 1.00 3.03 C ATOM 578 NZ LYS A 335 5.314 -4.014 -2.920 1.00 3.33 N ATOM 0 H LYS A 335 8.260 -0.872 -4.501 1.00 53.21 H new ATOM 0 HA LYS A 335 5.696 -0.709 -5.896 1.00 2.12 H new ATOM 0 HB2 LYS A 335 6.578 0.769 -3.407 1.00 11.43 H new ATOM 0 HB3 LYS A 335 4.977 0.734 -4.118 1.00 11.43 H new ATOM 0 HG2 LYS A 335 6.377 -1.756 -3.063 1.00 64.11 H new ATOM 0 HG3 LYS A 335 5.336 -0.755 -2.071 1.00 64.11 H new ATOM 0 HD2 LYS A 335 3.521 -1.849 -2.833 1.00 32.13 H new ATOM 0 HD3 LYS A 335 3.877 -1.331 -4.469 1.00 32.13 H new ATOM 0 HE2 LYS A 335 3.651 -3.832 -4.218 1.00 3.03 H new ATOM 0 HE3 LYS A 335 5.177 -3.330 -4.919 1.00 3.03 H new ATOM 0 HZ1 LYS A 335 4.873 -4.940 -2.749 1.00 3.33 H new ATOM 0 HZ2 LYS A 335 6.306 -4.149 -3.200 1.00 3.33 H new ATOM 0 HZ3 LYS A 335 5.274 -3.446 -2.050 1.00 3.33 H new ATOM 592 N CYS A 336 6.160 1.721 -6.644 1.00 61.41 N ATOM 593 CA CYS A 336 6.488 2.988 -7.271 1.00 71.43 C ATOM 594 C CYS A 336 6.967 3.910 -6.170 1.00 61.25 C ATOM 595 O CYS A 336 6.192 4.260 -5.331 1.00 34.14 O ATOM 596 CB CYS A 336 5.232 3.644 -7.901 1.00 32.33 C ATOM 597 SG CYS A 336 5.599 4.729 -9.325 1.00 64.11 S ATOM 0 H CYS A 336 5.191 1.435 -6.787 1.00 61.41 H new ATOM 0 HA CYS A 336 7.232 2.824 -8.050 1.00 71.43 H new ATOM 0 HB2 CYS A 336 4.547 2.860 -8.222 1.00 32.33 H new ATOM 0 HB3 CYS A 336 4.716 4.226 -7.137 1.00 32.33 H new ATOM 602 N PRO A 337 8.210 4.360 -6.207 1.00 34.42 N ATOM 603 CA PRO A 337 8.749 5.229 -5.136 1.00 21.33 C ATOM 604 C PRO A 337 7.999 6.528 -4.967 1.00 73.22 C ATOM 605 O PRO A 337 8.031 7.152 -3.917 1.00 63.54 O ATOM 606 CB PRO A 337 10.211 5.505 -5.545 1.00 45.24 C ATOM 607 CG PRO A 337 10.317 5.072 -7.005 1.00 3.53 C ATOM 608 CD PRO A 337 9.208 4.052 -7.240 1.00 43.01 C ATOM 0 HA PRO A 337 8.654 4.731 -4.171 1.00 21.33 H new ATOM 0 HB2 PRO A 337 10.458 6.561 -5.430 1.00 45.24 H new ATOM 0 HB3 PRO A 337 10.906 4.945 -4.919 1.00 45.24 H new ATOM 0 HG2 PRO A 337 10.204 5.927 -7.672 1.00 3.53 H new ATOM 0 HG3 PRO A 337 11.295 4.635 -7.209 1.00 3.53 H new ATOM 0 HD2 PRO A 337 8.787 4.145 -8.241 1.00 43.01 H new ATOM 0 HD3 PRO A 337 9.579 3.031 -7.144 1.00 43.01 H new ATOM 616 N ILE A 338 7.277 6.937 -6.013 1.00 63.43 N ATOM 617 CA ILE A 338 6.597 8.191 -5.990 1.00 31.43 C ATOM 618 C ILE A 338 5.180 7.982 -5.483 1.00 42.52 C ATOM 619 O ILE A 338 4.671 8.800 -4.751 1.00 3.14 O ATOM 620 CB ILE A 338 6.507 8.833 -7.382 1.00 53.34 C ATOM 621 CG1 ILE A 338 7.746 8.509 -8.251 1.00 0.02 C ATOM 622 CG2 ILE A 338 6.318 10.343 -7.227 1.00 15.10 C ATOM 623 CD1 ILE A 338 9.037 9.131 -7.723 1.00 54.23 C ATOM 0 H ILE A 338 7.161 6.404 -6.875 1.00 63.43 H new ATOM 0 HA ILE A 338 7.167 8.853 -5.338 1.00 31.43 H new ATOM 0 HB ILE A 338 5.647 8.413 -7.904 1.00 53.34 H new ATOM 0 HG12 ILE A 338 7.869 7.427 -8.306 1.00 0.02 H new ATOM 0 HG13 ILE A 338 7.570 8.862 -9.267 1.00 0.02 H new ATOM 0 HG21 ILE A 338 6.253 10.805 -8.212 1.00 15.10 H new ATOM 0 HG22 ILE A 338 5.400 10.540 -6.673 1.00 15.10 H new ATOM 0 HG23 ILE A 338 7.166 10.762 -6.685 1.00 15.10 H new ATOM 0 HD11 ILE A 338 9.865 8.864 -8.380 1.00 54.23 H new ATOM 0 HD12 ILE A 338 8.933 10.216 -7.694 1.00 54.23 H new ATOM 0 HD13 ILE A 338 9.236 8.758 -6.718 1.00 54.23 H new ATOM 635 N CYS A 339 4.524 6.843 -5.842 1.00 23.50 N ATOM 636 CA CYS A 339 3.080 6.759 -5.583 1.00 62.11 C ATOM 637 C CYS A 339 2.704 5.469 -4.840 1.00 22.20 C ATOM 638 O CYS A 339 1.535 5.213 -4.602 1.00 44.02 O ATOM 639 CB CYS A 339 2.265 6.870 -6.911 1.00 74.34 C ATOM 640 SG CYS A 339 2.289 5.343 -7.901 1.00 23.45 S ATOM 0 H CYS A 339 4.948 6.026 -6.282 1.00 23.50 H new ATOM 0 HA CYS A 339 2.824 7.602 -4.941 1.00 62.11 H new ATOM 0 HB2 CYS A 339 1.232 7.125 -6.675 1.00 74.34 H new ATOM 0 HB3 CYS A 339 2.667 7.688 -7.508 1.00 74.34 H new ATOM 645 N ARG A 340 3.691 4.599 -4.571 1.00 0.23 N ATOM 646 CA ARG A 340 3.501 3.356 -3.795 1.00 44.01 C ATOM 647 C ARG A 340 2.635 2.313 -4.500 1.00 41.33 C ATOM 648 O ARG A 340 2.260 1.312 -3.892 1.00 40.31 O ATOM 649 CB ARG A 340 3.027 3.538 -2.332 1.00 2.21 C ATOM 650 CG ARG A 340 4.047 4.268 -1.452 1.00 62.24 C ATOM 651 CD ARG A 340 5.440 3.584 -1.392 1.00 24.30 C ATOM 652 NE ARG A 340 6.469 4.655 -1.476 1.00 41.44 N ATOM 653 CZ ARG A 340 7.795 4.359 -1.535 1.00 5.34 C ATOM 654 NH1 ARG A 340 8.213 3.059 -1.648 1.00 52.12 N ATOM 655 NH2 ARG A 340 8.712 5.379 -1.508 1.00 23.13 N ATOM 0 H ARG A 340 4.651 4.737 -4.887 1.00 0.23 H new ATOM 0 HA ARG A 340 4.521 2.977 -3.738 1.00 44.01 H new ATOM 0 HB2 ARG A 340 2.089 4.094 -2.327 1.00 2.21 H new ATOM 0 HB3 ARG A 340 2.819 2.559 -1.900 1.00 2.21 H new ATOM 0 HG2 ARG A 340 4.170 5.285 -1.824 1.00 62.24 H new ATOM 0 HG3 ARG A 340 3.648 4.345 -0.440 1.00 62.24 H new ATOM 0 HD2 ARG A 340 5.550 3.019 -0.466 1.00 24.30 H new ATOM 0 HD3 ARG A 340 5.555 2.877 -2.213 1.00 24.30 H new ATOM 0 HE ARG A 340 6.174 5.631 -1.490 1.00 41.44 H new ATOM 0 HH11 ARG A 340 7.528 2.305 -1.689 1.00 52.12 H new ATOM 0 HH12 ARG A 340 9.209 2.846 -1.692 1.00 52.12 H new ATOM 0 HH21 ARG A 340 8.396 6.347 -1.444 1.00 23.13 H new ATOM 0 HH22 ARG A 340 9.709 5.169 -1.552 1.00 23.13 H new ATOM 669 N GLN A 341 2.305 2.510 -5.796 1.00 53.15 N ATOM 670 CA GLN A 341 1.565 1.479 -6.536 1.00 53.13 C ATOM 671 C GLN A 341 2.555 0.418 -6.884 1.00 72.12 C ATOM 672 O GLN A 341 3.719 0.735 -7.137 1.00 65.32 O ATOM 673 CB GLN A 341 1.025 1.959 -7.890 1.00 23.21 C ATOM 674 CG GLN A 341 -0.184 2.879 -7.820 1.00 72.31 C ATOM 675 CD GLN A 341 -0.321 3.533 -9.195 1.00 1.15 C ATOM 676 OE1 GLN A 341 0.697 3.916 -9.819 1.00 63.43 O ATOM 677 NE2 GLN A 341 -1.551 3.672 -9.688 1.00 64.15 N ATOM 0 H GLN A 341 2.533 3.347 -6.332 1.00 53.15 H new ATOM 0 HA GLN A 341 0.729 1.168 -5.909 1.00 53.13 H new ATOM 0 HB2 GLN A 341 1.825 2.478 -8.418 1.00 23.21 H new ATOM 0 HB3 GLN A 341 0.762 1.086 -8.488 1.00 23.21 H new ATOM 0 HG2 GLN A 341 -1.083 2.317 -7.568 1.00 72.31 H new ATOM 0 HG3 GLN A 341 -0.051 3.633 -7.044 1.00 72.31 H new ATOM 0 HE21 GLN A 341 -2.355 3.348 -9.151 1.00 64.15 H new ATOM 0 HE22 GLN A 341 -1.688 4.102 -10.603 1.00 64.15 H new ATOM 686 N ALA A 342 2.106 -0.850 -6.905 1.00 72.33 N ATOM 687 CA ALA A 342 2.950 -1.976 -7.311 1.00 40.11 C ATOM 688 C ALA A 342 3.401 -1.764 -8.742 1.00 22.54 C ATOM 689 O ALA A 342 2.717 -1.100 -9.538 1.00 31.10 O ATOM 690 CB ALA A 342 2.232 -3.337 -7.240 1.00 13.42 C ATOM 0 H ALA A 342 1.157 -1.116 -6.643 1.00 72.33 H new ATOM 0 HA ALA A 342 3.787 -2.004 -6.613 1.00 40.11 H new ATOM 0 HB1 ALA A 342 2.915 -4.126 -7.554 1.00 13.42 H new ATOM 0 HB2 ALA A 342 1.908 -3.524 -6.216 1.00 13.42 H new ATOM 0 HB3 ALA A 342 1.364 -3.325 -7.899 1.00 13.42 H new ATOM 696 N ILE A 343 4.572 -2.319 -9.089 1.00 72.15 N ATOM 697 CA ILE A 343 5.090 -2.194 -10.426 1.00 61.45 C ATOM 698 C ILE A 343 4.543 -3.338 -11.238 1.00 71.34 C ATOM 699 O ILE A 343 4.691 -4.511 -10.884 1.00 40.31 O ATOM 700 CB ILE A 343 6.610 -2.189 -10.461 1.00 13.03 C ATOM 701 CG1 ILE A 343 7.132 -0.953 -9.717 1.00 23.30 C ATOM 702 CG2 ILE A 343 7.111 -2.219 -11.921 1.00 44.44 C ATOM 703 CD1 ILE A 343 8.591 -1.030 -9.382 1.00 45.33 C ATOM 0 H ILE A 343 5.163 -2.853 -8.453 1.00 72.15 H new ATOM 0 HA ILE A 343 4.776 -1.237 -10.842 1.00 61.45 H new ATOM 0 HB ILE A 343 6.991 -3.080 -9.963 1.00 13.03 H new ATOM 0 HG12 ILE A 343 6.954 -0.068 -10.328 1.00 23.30 H new ATOM 0 HG13 ILE A 343 6.562 -0.825 -8.797 1.00 23.30 H new ATOM 0 HG21 ILE A 343 8.201 -2.215 -11.932 1.00 44.44 H new ATOM 0 HG22 ILE A 343 6.746 -3.121 -12.412 1.00 44.44 H new ATOM 0 HG23 ILE A 343 6.740 -1.342 -12.451 1.00 44.44 H new ATOM 0 HD11 ILE A 343 8.892 -0.123 -8.857 1.00 45.33 H new ATOM 0 HD12 ILE A 343 8.773 -1.895 -8.745 1.00 45.33 H new ATOM 0 HD13 ILE A 343 9.170 -1.127 -10.300 1.00 45.33 H new ATOM 715 N THR A 344 3.934 -2.994 -12.380 1.00 34.40 N ATOM 716 CA THR A 344 3.307 -3.958 -13.220 1.00 43.12 C ATOM 717 C THR A 344 4.311 -4.350 -14.291 1.00 75.41 C ATOM 718 O THR A 344 4.412 -5.513 -14.662 1.00 13.44 O ATOM 719 CB THR A 344 2.066 -3.361 -13.851 1.00 21.25 C ATOM 720 OG1 THR A 344 1.082 -3.103 -12.858 1.00 55.15 O ATOM 721 CG2 THR A 344 1.513 -4.265 -14.932 1.00 63.24 C ATOM 0 H THR A 344 3.875 -2.036 -12.725 1.00 34.40 H new ATOM 0 HA THR A 344 3.003 -4.834 -12.647 1.00 43.12 H new ATOM 0 HB THR A 344 2.344 -2.416 -14.319 1.00 21.25 H new ATOM 0 HG1 THR A 344 0.286 -2.716 -13.279 1.00 55.15 H new ATOM 0 HG21 THR A 344 0.623 -3.810 -15.366 1.00 63.24 H new ATOM 0 HG22 THR A 344 2.265 -4.405 -15.709 1.00 63.24 H new ATOM 0 HG23 THR A 344 1.253 -5.231 -14.500 1.00 63.24 H new ATOM 729 N ARG A 345 5.123 -3.396 -14.731 1.00 24.51 N ATOM 730 CA ARG A 345 6.075 -3.672 -15.778 1.00 0.13 C ATOM 731 C ARG A 345 7.073 -2.586 -15.744 1.00 24.52 C ATOM 732 O ARG A 345 6.913 -1.609 -15.020 1.00 52.01 O ATOM 733 CB ARG A 345 5.455 -3.754 -17.207 1.00 40.52 C ATOM 734 CG ARG A 345 5.679 -5.101 -17.903 1.00 75.14 C ATOM 735 CD ARG A 345 6.231 -4.951 -19.323 1.00 64.11 C ATOM 736 NE ARG A 345 6.258 -6.301 -19.957 1.00 73.23 N ATOM 737 CZ ARG A 345 6.762 -6.461 -21.223 1.00 42.14 C ATOM 738 NH1 ARG A 345 7.335 -5.398 -21.877 1.00 41.43 N ATOM 739 NH2 ARG A 345 6.706 -7.683 -21.835 1.00 4.44 N ATOM 0 H ARG A 345 5.136 -2.439 -14.379 1.00 24.51 H new ATOM 0 HA ARG A 345 6.504 -4.656 -15.590 1.00 0.13 H new ATOM 0 HB2 ARG A 345 4.384 -3.564 -17.139 1.00 40.52 H new ATOM 0 HB3 ARG A 345 5.881 -2.962 -17.823 1.00 40.52 H new ATOM 0 HG2 ARG A 345 6.371 -5.700 -17.311 1.00 75.14 H new ATOM 0 HG3 ARG A 345 4.736 -5.647 -17.940 1.00 75.14 H new ATOM 0 HD2 ARG A 345 5.608 -4.271 -19.903 1.00 64.11 H new ATOM 0 HD3 ARG A 345 7.233 -4.522 -19.298 1.00 64.11 H new ATOM 0 HE ARG A 345 5.900 -7.109 -19.447 1.00 73.23 H new ATOM 0 HH11 ARG A 345 7.387 -4.487 -21.422 1.00 41.43 H new ATOM 0 HH12 ARG A 345 7.709 -5.520 -22.818 1.00 41.43 H new ATOM 0 HH21 ARG A 345 6.289 -8.478 -21.350 1.00 4.44 H new ATOM 0 HH22 ARG A 345 7.081 -7.800 -22.776 1.00 4.44 H new ATOM 753 N VAL A 346 8.145 -2.744 -16.516 1.00 34.30 N ATOM 754 CA VAL A 346 9.175 -1.758 -16.538 1.00 20.22 C ATOM 755 C VAL A 346 9.544 -1.531 -17.971 1.00 64.23 C ATOM 756 O VAL A 346 9.705 -2.472 -18.753 1.00 41.44 O ATOM 757 CB VAL A 346 10.406 -2.140 -15.700 1.00 22.53 C ATOM 758 CG1 VAL A 346 10.941 -3.526 -16.113 1.00 40.31 C ATOM 759 CG2 VAL A 346 11.472 -1.029 -15.787 1.00 44.52 C ATOM 0 H VAL A 346 8.306 -3.547 -17.124 1.00 34.30 H new ATOM 0 HA VAL A 346 8.798 -0.844 -16.078 1.00 20.22 H new ATOM 0 HB VAL A 346 10.120 -2.224 -14.652 1.00 22.53 H new ATOM 0 HG11 VAL A 346 11.812 -3.775 -15.507 1.00 40.31 H new ATOM 0 HG12 VAL A 346 10.165 -4.276 -15.959 1.00 40.31 H new ATOM 0 HG13 VAL A 346 11.225 -3.508 -17.165 1.00 40.31 H new ATOM 0 HG21 VAL A 346 12.340 -1.310 -15.190 1.00 44.52 H new ATOM 0 HG22 VAL A 346 11.774 -0.895 -16.826 1.00 44.52 H new ATOM 0 HG23 VAL A 346 11.057 -0.096 -15.407 1.00 44.52 H new ATOM 769 N ILE A 347 9.577 -0.259 -18.359 1.00 42.12 N ATOM 770 CA ILE A 347 10.014 0.132 -19.657 1.00 60.23 C ATOM 771 C ILE A 347 11.349 0.786 -19.418 1.00 63.13 C ATOM 772 O ILE A 347 11.416 1.838 -18.781 1.00 53.02 O ATOM 773 CB ILE A 347 9.093 1.174 -20.287 1.00 15.40 C ATOM 774 CG1 ILE A 347 7.606 0.766 -20.156 1.00 12.44 C ATOM 775 CG2 ILE A 347 9.504 1.400 -21.747 1.00 1.03 C ATOM 776 CD1 ILE A 347 6.832 1.668 -19.215 1.00 60.32 C ATOM 0 H ILE A 347 9.295 0.520 -17.763 1.00 42.12 H new ATOM 0 HA ILE A 347 10.038 -0.727 -20.327 1.00 60.23 H new ATOM 0 HB ILE A 347 9.199 2.117 -19.750 1.00 15.40 H new ATOM 0 HG12 ILE A 347 7.139 0.789 -21.141 1.00 12.44 H new ATOM 0 HG13 ILE A 347 7.546 -0.262 -19.799 1.00 12.44 H new ATOM 0 HG21 ILE A 347 8.848 2.144 -22.199 1.00 1.03 H new ATOM 0 HG22 ILE A 347 10.534 1.755 -21.784 1.00 1.03 H new ATOM 0 HG23 ILE A 347 9.423 0.463 -22.297 1.00 1.03 H new ATOM 0 HD11 ILE A 347 5.796 1.335 -19.162 1.00 60.32 H new ATOM 0 HD12 ILE A 347 7.278 1.626 -18.221 1.00 60.32 H new ATOM 0 HD13 ILE A 347 6.865 2.693 -19.584 1.00 60.32 H new ATOM 788 N PRO A 348 12.438 0.172 -19.872 1.00 41.14 N ATOM 789 CA PRO A 348 13.738 0.777 -19.705 1.00 43.13 C ATOM 790 C PRO A 348 13.892 1.970 -20.583 1.00 35.30 C ATOM 791 O PRO A 348 13.467 1.961 -21.736 1.00 25.30 O ATOM 792 CB PRO A 348 14.770 -0.305 -20.057 1.00 53.14 C ATOM 793 CG PRO A 348 13.979 -1.478 -20.653 1.00 51.43 C ATOM 794 CD PRO A 348 12.488 -1.119 -20.575 1.00 51.21 C ATOM 0 HA PRO A 348 13.875 1.130 -18.683 1.00 43.13 H new ATOM 0 HB2 PRO A 348 15.502 0.073 -20.771 1.00 53.14 H new ATOM 0 HB3 PRO A 348 15.322 -0.619 -19.171 1.00 53.14 H new ATOM 0 HG2 PRO A 348 14.277 -1.655 -21.686 1.00 51.43 H new ATOM 0 HG3 PRO A 348 14.181 -2.396 -20.101 1.00 51.43 H new ATOM 0 HD2 PRO A 348 12.049 -1.043 -21.570 1.00 51.21 H new ATOM 0 HD3 PRO A 348 11.927 -1.883 -20.036 1.00 51.21 H new ATOM 802 N LEU A 349 14.503 3.011 -20.053 1.00 53.12 N ATOM 803 CA LEU A 349 14.650 4.229 -20.764 1.00 21.10 C ATOM 804 C LEU A 349 16.099 4.401 -20.953 1.00 60.53 C ATOM 805 O LEU A 349 16.848 4.430 -19.996 1.00 41.33 O ATOM 806 CB LEU A 349 14.100 5.452 -19.987 1.00 23.30 C ATOM 807 CG LEU A 349 13.046 6.250 -20.770 1.00 64.42 C ATOM 808 CD1 LEU A 349 11.918 5.365 -21.338 1.00 32.20 C ATOM 809 CD2 LEU A 349 12.501 7.422 -19.954 1.00 2.21 C ATOM 0 H LEU A 349 14.906 3.019 -19.116 1.00 53.12 H new ATOM 0 HA LEU A 349 14.088 4.179 -21.697 1.00 21.10 H new ATOM 0 HB2 LEU A 349 13.663 5.110 -19.049 1.00 23.30 H new ATOM 0 HB3 LEU A 349 14.928 6.113 -19.731 1.00 23.30 H new ATOM 0 HG LEU A 349 13.561 6.668 -21.635 1.00 64.42 H new ATOM 0 HD11 LEU A 349 11.206 5.987 -21.880 1.00 32.20 H new ATOM 0 HD12 LEU A 349 12.343 4.625 -22.016 1.00 32.20 H new ATOM 0 HD13 LEU A 349 11.407 4.857 -20.520 1.00 32.20 H new ATOM 0 HD21 LEU A 349 11.759 7.961 -20.543 1.00 2.21 H new ATOM 0 HD22 LEU A 349 12.038 7.046 -19.042 1.00 2.21 H new ATOM 0 HD23 LEU A 349 13.318 8.096 -19.695 1.00 2.21 H new ATOM 821 N TYR A 350 16.525 4.528 -22.188 1.00 0.44 N ATOM 822 CA TYR A 350 17.909 4.727 -22.461 1.00 72.32 C ATOM 823 C TYR A 350 17.936 5.784 -23.477 1.00 45.21 C ATOM 824 O TYR A 350 17.400 5.629 -24.566 1.00 60.21 O ATOM 825 CB TYR A 350 18.630 3.474 -23.003 1.00 4.41 C ATOM 826 CG TYR A 350 19.135 2.583 -21.906 1.00 12.51 C ATOM 827 CD1 TYR A 350 20.352 2.839 -21.306 1.00 71.23 C ATOM 828 CD2 TYR A 350 18.386 1.511 -21.459 1.00 43.54 C ATOM 829 CE1 TYR A 350 20.808 2.046 -20.290 1.00 4.31 C ATOM 830 CE2 TYR A 350 18.849 0.715 -20.439 1.00 43.21 C ATOM 831 CZ TYR A 350 20.060 0.986 -19.853 1.00 41.13 C ATOM 832 OH TYR A 350 20.533 0.177 -18.795 1.00 34.11 O ATOM 0 H TYR A 350 15.925 4.496 -23.012 1.00 0.44 H new ATOM 0 HA TYR A 350 18.435 4.976 -21.539 1.00 72.32 H new ATOM 0 HB2 TYR A 350 17.946 2.911 -23.638 1.00 4.41 H new ATOM 0 HB3 TYR A 350 19.466 3.783 -23.630 1.00 4.41 H new ATOM 0 HD1 TYR A 350 20.949 3.674 -21.642 1.00 71.23 H new ATOM 0 HD2 TYR A 350 17.430 1.297 -21.914 1.00 43.54 H new ATOM 0 HE1 TYR A 350 21.762 2.257 -19.830 1.00 4.31 H new ATOM 0 HE2 TYR A 350 18.260 -0.124 -20.099 1.00 43.21 H new ATOM 0 HH TYR A 350 21.091 0.716 -18.195 1.00 34.11 H new ATOM 842 N ASN A 351 18.549 6.903 -23.128 1.00 24.45 N ATOM 843 CA ASN A 351 18.570 8.048 -23.984 1.00 20.31 C ATOM 844 C ASN A 351 19.832 8.725 -23.631 1.00 73.13 C ATOM 845 O ASN A 351 19.841 9.799 -23.028 1.00 32.42 O ATOM 846 CB ASN A 351 17.386 9.018 -23.710 1.00 63.41 C ATOM 847 CG ASN A 351 17.384 10.257 -24.603 1.00 2.31 C ATOM 848 OD1 ASN A 351 17.937 10.244 -25.712 1.00 43.02 O ATOM 849 ND2 ASN A 351 16.761 11.350 -24.123 1.00 13.00 N ATOM 0 H ASN A 351 19.041 7.030 -22.243 1.00 24.45 H new ATOM 0 HA ASN A 351 18.488 7.757 -25.031 1.00 20.31 H new ATOM 0 HB2 ASN A 351 16.448 8.480 -23.849 1.00 63.41 H new ATOM 0 HB3 ASN A 351 17.421 9.333 -22.667 1.00 63.41 H new ATOM 0 HD21 ASN A 351 16.733 12.206 -24.677 1.00 13.00 H new ATOM 0 HD22 ASN A 351 16.317 11.322 -23.205 1.00 13.00 H new ATOM 856 N SER A 352 20.933 8.102 -23.976 1.00 51.13 N ATOM 857 CA SER A 352 22.212 8.628 -23.602 1.00 4.42 C ATOM 858 C SER A 352 23.205 8.202 -24.692 1.00 21.35 C ATOM 859 O SER A 352 22.880 7.232 -25.457 1.00 0.00 O ATOM 860 CB SER A 352 22.711 8.082 -22.226 1.00 40.32 C ATOM 861 OG SER A 352 21.635 7.448 -21.485 1.00 71.31 O ATOM 862 OXT SER A 352 24.285 8.845 -24.796 1.00 0.00 O ATOM 0 H SER A 352 20.964 7.235 -24.512 1.00 51.13 H new ATOM 0 HA SER A 352 22.132 9.711 -23.504 1.00 4.42 H new ATOM 0 HB2 SER A 352 23.515 7.364 -22.388 1.00 40.32 H new ATOM 0 HB3 SER A 352 23.127 8.900 -21.638 1.00 40.32 H new ATOM 0 HG SER A 352 21.979 7.115 -20.630 1.00 71.31 H new TER 868 SER A 352 HETATM 869 ZN ZN A 500 19.488 4.006 -9.118 1.00 0.00 ZN HETATM 870 ZN ZN A 501 3.576 5.818 -9.817 1.00 0.00 ZN