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 -120:sc= 0.557 USER MOD Set 1.2: A 324 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 297 SER OG : rot 180:sc=-0.00285 USER MOD Single : A 299 LYS NZ :NH3+ 171:sc= -0.0844 (180deg=-0.223) USER MOD Single : A 300 SER OG : rot -160:sc= -0.35 USER MOD Single : A 307 SER OG : rot 55:sc= 0.43 USER MOD Single : A 308 SER OG : rot 154:sc= 0.774 USER MOD Single : A 310 LYS NZ :NH3+ -179:sc= 0.0459 (180deg=0.0395) USER MOD Single : A 312 CYS SG : rot 11:sc= 0.362 USER MOD Single : A 321 CYS SG : rot 80:sc= -0.571 USER MOD Single : A 322 SER OG : rot 180:sc= 0.119 USER MOD Single : A 327 TYR OH : rot 180:sc= 0 USER MOD Single : A 334 LYS NZ :NH3+ -124:sc= 0.561 (180deg=0) USER MOD Single : A 335 LYS NZ :NH3+ 140:sc= 0.179 (180deg=-1.34) USER MOD Single : A 341 GLN : amide:sc= -1.2 K(o=-1.2,f=-6.2!) USER MOD Single : A 344 THR OG1 : rot 180:sc= 0 USER MOD Single : A 350 TYR OH : rot 180:sc= 0 USER MOD Single : A 351 ASN : amide:sc= -0.4 K(o=-0.4,f=-3.6!) USER MOD Single : A 352 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 296 7.882 10.728 -13.806 1.00 13.00 N ATOM 2 CA GLY A 296 7.563 12.114 -13.347 1.00 45.03 C ATOM 3 C GLY A 296 8.258 13.108 -14.222 1.00 73.23 C ATOM 4 O GLY A 296 7.785 14.223 -14.426 1.00 42.04 O ATOM 0 HA2 GLY A 296 6.486 12.279 -13.378 1.00 45.03 H new ATOM 0 HA3 GLY A 296 7.876 12.245 -12.311 1.00 45.03 H new ATOM 10 N SER A 297 9.392 12.704 -14.787 1.00 4.31 N ATOM 11 CA SER A 297 10.167 13.575 -15.623 1.00 51.25 C ATOM 12 C SER A 297 10.796 12.656 -16.624 1.00 12.22 C ATOM 13 O SER A 297 10.202 11.636 -16.966 1.00 23.54 O ATOM 14 CB SER A 297 11.266 14.332 -14.834 1.00 64.21 C ATOM 15 OG SER A 297 10.764 14.765 -13.560 1.00 32.31 O ATOM 0 H SER A 297 9.785 11.770 -14.672 1.00 4.31 H new ATOM 0 HA SER A 297 9.544 14.350 -16.071 1.00 51.25 H new ATOM 0 HB2 SER A 297 12.130 13.683 -14.689 1.00 64.21 H new ATOM 0 HB3 SER A 297 11.607 15.193 -15.409 1.00 64.21 H new ATOM 0 HG SER A 297 11.470 15.240 -13.074 1.00 32.31 H new ATOM 21 N LEU A 298 12.023 12.954 -17.102 1.00 35.12 N ATOM 22 CA LEU A 298 12.645 12.067 -18.043 1.00 5.41 C ATOM 23 C LEU A 298 14.110 12.287 -17.948 1.00 43.22 C ATOM 24 O LEU A 298 14.609 13.368 -18.261 1.00 4.21 O ATOM 25 CB LEU A 298 12.214 12.292 -19.519 1.00 35.24 C ATOM 26 CG LEU A 298 12.327 11.018 -20.387 1.00 1.43 C ATOM 27 CD1 LEU A 298 11.006 10.243 -20.471 1.00 72.15 C ATOM 28 CD2 LEU A 298 12.906 11.308 -21.777 1.00 74.34 C ATOM 0 H LEU A 298 12.568 13.778 -16.849 1.00 35.12 H new ATOM 0 HA LEU A 298 12.338 11.053 -17.787 1.00 5.41 H new ATOM 0 HB2 LEU A 298 11.184 12.648 -19.540 1.00 35.24 H new ATOM 0 HB3 LEU A 298 12.831 13.077 -19.955 1.00 35.24 H new ATOM 0 HG LEU A 298 13.038 10.369 -19.876 1.00 1.43 H new ATOM 0 HD11 LEU A 298 11.142 9.358 -21.092 1.00 72.15 H new ATOM 0 HD12 LEU A 298 10.698 9.940 -19.470 1.00 72.15 H new ATOM 0 HD13 LEU A 298 10.238 10.880 -20.910 1.00 72.15 H new ATOM 0 HD21 LEU A 298 12.965 10.381 -22.347 1.00 74.34 H new ATOM 0 HD22 LEU A 298 12.262 12.015 -22.299 1.00 74.34 H new ATOM 0 HD23 LEU A 298 13.904 11.734 -21.674 1.00 74.34 H new ATOM 40 N LYS A 299 14.833 11.237 -17.486 1.00 1.14 N ATOM 41 CA LYS A 299 16.279 11.245 -17.388 1.00 73.23 C ATOM 42 C LYS A 299 16.717 12.272 -16.376 1.00 2.00 C ATOM 43 O LYS A 299 17.510 13.164 -16.671 1.00 0.43 O ATOM 44 CB LYS A 299 17.018 11.475 -18.729 1.00 45.11 C ATOM 45 CG LYS A 299 16.504 10.571 -19.864 1.00 52.34 C ATOM 46 CD LYS A 299 17.618 10.005 -20.751 1.00 21.21 C ATOM 47 CE LYS A 299 17.148 8.862 -21.659 1.00 23.50 C ATOM 48 NZ LYS A 299 15.846 9.199 -22.276 1.00 54.31 N ATOM 0 H LYS A 299 14.408 10.364 -17.174 1.00 1.14 H new ATOM 0 HA LYS A 299 16.559 10.241 -17.069 1.00 73.23 H new ATOM 0 HB2 LYS A 299 16.906 12.518 -19.024 1.00 45.11 H new ATOM 0 HB3 LYS A 299 18.084 11.297 -18.585 1.00 45.11 H new ATOM 0 HG2 LYS A 299 15.940 9.744 -19.432 1.00 52.34 H new ATOM 0 HG3 LYS A 299 15.811 11.139 -20.484 1.00 52.34 H new ATOM 0 HD2 LYS A 299 18.024 10.806 -21.368 1.00 21.21 H new ATOM 0 HD3 LYS A 299 18.430 9.647 -20.118 1.00 21.21 H new ATOM 0 HE2 LYS A 299 17.890 8.677 -22.436 1.00 23.50 H new ATOM 0 HE3 LYS A 299 17.057 7.943 -21.080 1.00 23.50 H new ATOM 0 HZ1 LYS A 299 15.612 8.491 -23.001 1.00 54.31 H new ATOM 0 HZ2 LYS A 299 15.106 9.203 -21.545 1.00 54.31 H new ATOM 0 HZ3 LYS A 299 15.903 10.140 -22.716 1.00 54.31 H new ATOM 62 N SER A 300 16.172 12.162 -15.161 1.00 3.12 N ATOM 63 CA SER A 300 16.571 12.998 -14.065 1.00 12.04 C ATOM 64 C SER A 300 17.238 12.059 -13.114 1.00 55.23 C ATOM 65 O SER A 300 17.511 10.922 -13.472 1.00 3.53 O ATOM 66 CB SER A 300 15.379 13.666 -13.355 1.00 32.21 C ATOM 67 OG SER A 300 14.438 14.104 -14.324 1.00 2.40 O ATOM 0 H SER A 300 15.444 11.487 -14.927 1.00 3.12 H new ATOM 0 HA SER A 300 17.205 13.812 -14.415 1.00 12.04 H new ATOM 0 HB2 SER A 300 14.909 12.962 -12.668 1.00 32.21 H new ATOM 0 HB3 SER A 300 15.724 14.511 -12.759 1.00 32.21 H new ATOM 0 HG SER A 300 13.857 14.788 -13.930 1.00 2.40 H new ATOM 73 N ALA A 301 17.500 12.489 -11.873 1.00 41.01 N ATOM 74 CA ALA A 301 18.185 11.634 -10.924 1.00 13.55 C ATOM 75 C ALA A 301 17.267 10.507 -10.523 1.00 40.31 C ATOM 76 O ALA A 301 16.094 10.721 -10.218 1.00 4.35 O ATOM 77 CB ALA A 301 18.611 12.366 -9.635 1.00 62.14 C ATOM 0 H ALA A 301 17.248 13.411 -11.516 1.00 41.01 H new ATOM 0 HA ALA A 301 19.086 11.279 -11.424 1.00 13.55 H new ATOM 0 HB1 ALA A 301 19.118 11.667 -8.970 1.00 62.14 H new ATOM 0 HB2 ALA A 301 19.288 13.182 -9.887 1.00 62.14 H new ATOM 0 HB3 ALA A 301 17.729 12.767 -9.136 1.00 62.14 H new ATOM 83 N CYS A 302 17.801 9.249 -10.583 1.00 65.22 N ATOM 84 CA CYS A 302 17.106 8.048 -10.087 1.00 52.23 C ATOM 85 C CYS A 302 16.767 8.344 -8.647 1.00 22.22 C ATOM 86 O CYS A 302 17.663 8.422 -7.839 1.00 13.50 O ATOM 87 CB CYS A 302 18.055 6.792 -10.144 1.00 40.05 C ATOM 88 SG CYS A 302 17.355 5.210 -9.507 1.00 41.41 S ATOM 0 H CYS A 302 18.721 9.054 -10.977 1.00 65.22 H new ATOM 0 HA CYS A 302 16.225 7.826 -10.690 1.00 52.23 H new ATOM 0 HB2 CYS A 302 18.359 6.639 -11.180 1.00 40.05 H new ATOM 0 HB3 CYS A 302 18.958 7.019 -9.577 1.00 40.05 H new ATOM 93 N VAL A 303 15.450 8.351 -8.310 1.00 60.23 N ATOM 94 CA VAL A 303 14.962 8.890 -7.026 1.00 1.53 C ATOM 95 C VAL A 303 15.409 8.033 -5.868 1.00 55.21 C ATOM 96 O VAL A 303 15.414 8.468 -4.719 1.00 64.33 O ATOM 97 CB VAL A 303 13.443 8.996 -6.968 1.00 31.35 C ATOM 98 CG1 VAL A 303 12.961 9.846 -8.150 1.00 0.51 C ATOM 99 CG2 VAL A 303 12.813 7.584 -6.984 1.00 21.51 C ATOM 0 H VAL A 303 14.713 7.988 -8.914 1.00 60.23 H new ATOM 0 HA VAL A 303 15.390 9.890 -6.951 1.00 1.53 H new ATOM 0 HB VAL A 303 13.132 9.480 -6.042 1.00 31.35 H new ATOM 0 HG11 VAL A 303 11.875 9.929 -8.119 1.00 0.51 H new ATOM 0 HG12 VAL A 303 13.403 10.840 -8.087 1.00 0.51 H new ATOM 0 HG13 VAL A 303 13.262 9.373 -9.085 1.00 0.51 H new ATOM 0 HG21 VAL A 303 11.727 7.670 -6.942 1.00 21.51 H new ATOM 0 HG22 VAL A 303 13.101 7.067 -7.899 1.00 21.51 H new ATOM 0 HG23 VAL A 303 13.166 7.018 -6.122 1.00 21.51 H new ATOM 109 N VAL A 304 15.797 6.797 -6.158 1.00 52.44 N ATOM 110 CA VAL A 304 16.146 5.891 -5.110 1.00 52.14 C ATOM 111 C VAL A 304 17.610 6.049 -4.786 1.00 61.13 C ATOM 112 O VAL A 304 17.963 6.174 -3.638 1.00 1.01 O ATOM 113 CB VAL A 304 15.858 4.422 -5.453 1.00 44.11 C ATOM 114 CG1 VAL A 304 15.239 3.751 -4.215 1.00 12.12 C ATOM 115 CG2 VAL A 304 14.907 4.346 -6.674 1.00 53.52 C ATOM 0 H VAL A 304 15.872 6.418 -7.102 1.00 52.44 H new ATOM 0 HA VAL A 304 15.523 6.143 -4.252 1.00 52.14 H new ATOM 0 HB VAL A 304 16.777 3.899 -5.719 1.00 44.11 H new ATOM 0 HG11 VAL A 304 15.026 2.705 -4.436 1.00 12.12 H new ATOM 0 HG12 VAL A 304 15.938 3.810 -3.381 1.00 12.12 H new ATOM 0 HG13 VAL A 304 14.313 4.261 -3.949 1.00 12.12 H new ATOM 0 HG21 VAL A 304 14.705 3.302 -6.914 1.00 53.52 H new ATOM 0 HG22 VAL A 304 13.971 4.851 -6.438 1.00 53.52 H new ATOM 0 HG23 VAL A 304 15.375 4.831 -7.531 1.00 53.52 H new ATOM 125 N CYS A 305 18.503 6.087 -5.804 1.00 63.32 N ATOM 126 CA CYS A 305 19.932 6.098 -5.485 1.00 41.05 C ATOM 127 C CYS A 305 20.460 7.518 -5.431 1.00 43.21 C ATOM 128 O CYS A 305 21.231 7.850 -4.551 1.00 62.24 O ATOM 129 CB CYS A 305 20.818 5.198 -6.408 1.00 12.01 C ATOM 130 SG CYS A 305 20.707 5.584 -8.198 1.00 4.10 S ATOM 0 H CYS A 305 18.269 6.109 -6.797 1.00 63.32 H new ATOM 0 HA CYS A 305 20.010 5.645 -4.497 1.00 41.05 H new ATOM 0 HB2 CYS A 305 21.858 5.293 -6.094 1.00 12.01 H new ATOM 0 HB3 CYS A 305 20.533 4.157 -6.257 1.00 12.01 H new ATOM 135 N LEU A 306 20.092 8.352 -6.447 1.00 53.52 N ATOM 136 CA LEU A 306 20.471 9.776 -6.517 1.00 3.23 C ATOM 137 C LEU A 306 21.909 9.845 -6.984 1.00 5.21 C ATOM 138 O LEU A 306 22.660 10.731 -6.588 1.00 41.44 O ATOM 139 CB LEU A 306 20.336 10.618 -5.190 1.00 40.53 C ATOM 140 CG LEU A 306 18.883 10.814 -4.666 1.00 54.35 C ATOM 141 CD1 LEU A 306 17.895 11.260 -5.753 1.00 61.24 C ATOM 142 CD2 LEU A 306 18.364 9.612 -3.864 1.00 13.34 C ATOM 0 H LEU A 306 19.524 8.045 -7.236 1.00 53.52 H new ATOM 0 HA LEU A 306 19.755 10.231 -7.201 1.00 3.23 H new ATOM 0 HB2 LEU A 306 20.922 10.132 -4.410 1.00 40.53 H new ATOM 0 HB3 LEU A 306 20.779 11.600 -5.357 1.00 40.53 H new ATOM 0 HG LEU A 306 18.948 11.645 -3.964 1.00 54.35 H new ATOM 0 HD11 LEU A 306 16.903 11.377 -5.317 1.00 61.24 H new ATOM 0 HD12 LEU A 306 18.221 12.211 -6.173 1.00 61.24 H new ATOM 0 HD13 LEU A 306 17.858 10.509 -6.542 1.00 61.24 H new ATOM 0 HD21 LEU A 306 17.347 9.811 -3.527 1.00 13.34 H new ATOM 0 HD22 LEU A 306 18.370 8.724 -4.495 1.00 13.34 H new ATOM 0 HD23 LEU A 306 19.007 9.447 -2.999 1.00 13.34 H new ATOM 154 N SER A 307 22.325 8.850 -7.788 1.00 32.34 N ATOM 155 CA SER A 307 23.670 8.817 -8.328 1.00 55.11 C ATOM 156 C SER A 307 23.531 8.657 -9.821 1.00 41.01 C ATOM 157 O SER A 307 24.116 9.396 -10.601 1.00 35.33 O ATOM 158 CB SER A 307 24.512 7.632 -7.773 1.00 0.31 C ATOM 159 OG SER A 307 23.665 6.711 -7.066 1.00 34.14 O ATOM 0 H SER A 307 21.739 8.064 -8.070 1.00 32.34 H new ATOM 0 HA SER A 307 24.189 9.733 -8.045 1.00 55.11 H new ATOM 0 HB2 SER A 307 25.016 7.119 -8.592 1.00 0.31 H new ATOM 0 HB3 SER A 307 25.288 8.008 -7.107 1.00 0.31 H new ATOM 0 HG SER A 307 22.934 6.424 -7.652 1.00 34.14 H new ATOM 165 N SER A 308 22.739 7.646 -10.238 1.00 61.13 N ATOM 166 CA SER A 308 22.534 7.388 -11.645 1.00 35.51 C ATOM 167 C SER A 308 21.270 8.062 -12.018 1.00 24.53 C ATOM 168 O SER A 308 20.399 8.298 -11.152 1.00 72.34 O ATOM 169 CB SER A 308 22.391 5.881 -12.002 1.00 4.12 C ATOM 170 OG SER A 308 21.753 5.158 -10.932 1.00 60.11 O ATOM 0 H SER A 308 22.243 7.011 -9.613 1.00 61.13 H new ATOM 0 HA SER A 308 23.410 7.753 -12.181 1.00 35.51 H new ATOM 0 HB2 SER A 308 21.808 5.774 -12.917 1.00 4.12 H new ATOM 0 HB3 SER A 308 23.375 5.455 -12.199 1.00 4.12 H new ATOM 0 HG SER A 308 21.305 4.365 -11.294 1.00 60.11 H new ATOM 176 N PHE A 309 21.100 8.335 -13.317 1.00 52.35 N ATOM 177 CA PHE A 309 19.887 8.924 -13.807 1.00 15.31 C ATOM 178 C PHE A 309 18.844 7.830 -13.822 1.00 53.04 C ATOM 179 O PHE A 309 19.154 6.639 -13.634 1.00 11.05 O ATOM 180 CB PHE A 309 20.016 9.471 -15.253 1.00 5.01 C ATOM 181 CG PHE A 309 20.875 10.702 -15.384 1.00 44.54 C ATOM 182 CD1 PHE A 309 20.315 11.959 -15.310 1.00 3.12 C ATOM 183 CD2 PHE A 309 22.239 10.597 -15.582 1.00 33.21 C ATOM 184 CE1 PHE A 309 21.094 13.083 -15.429 1.00 54.11 C ATOM 185 CE2 PHE A 309 23.014 11.725 -15.700 1.00 40.42 C ATOM 186 CZ PHE A 309 22.441 12.965 -15.624 1.00 60.35 C ATOM 0 H PHE A 309 21.800 8.150 -14.035 1.00 52.35 H new ATOM 0 HA PHE A 309 19.631 9.764 -13.162 1.00 15.31 H new ATOM 0 HB2 PHE A 309 20.428 8.687 -15.888 1.00 5.01 H new ATOM 0 HB3 PHE A 309 19.019 9.697 -15.632 1.00 5.01 H new ATOM 0 HD1 PHE A 309 19.251 12.061 -15.157 1.00 3.12 H new ATOM 0 HD2 PHE A 309 22.698 9.622 -15.644 1.00 33.21 H new ATOM 0 HE1 PHE A 309 20.641 14.062 -15.368 1.00 54.11 H new ATOM 0 HE2 PHE A 309 24.079 11.633 -15.853 1.00 40.42 H new ATOM 0 HZ PHE A 309 23.053 13.850 -15.718 1.00 60.35 H new ATOM 196 N LYS A 310 17.571 8.223 -13.916 1.00 32.30 N ATOM 197 CA LYS A 310 16.502 7.269 -14.014 1.00 34.31 C ATOM 198 C LYS A 310 16.464 6.769 -15.424 1.00 32.34 C ATOM 199 O LYS A 310 16.413 7.547 -16.383 1.00 3.50 O ATOM 200 CB LYS A 310 15.115 7.832 -13.641 1.00 2.30 C ATOM 201 CG LYS A 310 14.902 9.286 -14.050 1.00 31.25 C ATOM 202 CD LYS A 310 13.549 9.523 -14.693 1.00 21.25 C ATOM 203 CE LYS A 310 12.930 10.873 -14.342 1.00 52.41 C ATOM 204 NZ LYS A 310 12.692 10.970 -12.884 1.00 3.02 N ATOM 0 H LYS A 310 17.272 9.198 -13.925 1.00 32.30 H new ATOM 0 HA LYS A 310 16.707 6.477 -13.294 1.00 34.31 H new ATOM 0 HB2 LYS A 310 14.347 7.217 -14.111 1.00 2.30 H new ATOM 0 HB3 LYS A 310 14.977 7.745 -12.563 1.00 2.30 H new ATOM 0 HG2 LYS A 310 14.998 9.924 -13.171 1.00 31.25 H new ATOM 0 HG3 LYS A 310 15.687 9.582 -14.746 1.00 31.25 H new ATOM 0 HD2 LYS A 310 13.654 9.452 -15.776 1.00 21.25 H new ATOM 0 HD3 LYS A 310 12.867 8.730 -14.386 1.00 21.25 H new ATOM 0 HE2 LYS A 310 13.592 11.678 -14.663 1.00 52.41 H new ATOM 0 HE3 LYS A 310 11.990 11.000 -14.879 1.00 52.41 H new ATOM 0 HZ1 LYS A 310 12.255 11.888 -12.664 1.00 3.02 H new ATOM 0 HZ2 LYS A 310 12.057 10.203 -12.584 1.00 3.02 H new ATOM 0 HZ3 LYS A 310 13.597 10.887 -12.378 1.00 3.02 H new ATOM 218 N SER A 311 16.496 5.453 -15.558 1.00 11.14 N ATOM 219 CA SER A 311 16.531 4.816 -16.826 1.00 22.54 C ATOM 220 C SER A 311 15.404 3.804 -16.847 1.00 32.23 C ATOM 221 O SER A 311 15.506 2.770 -17.491 1.00 4.30 O ATOM 222 CB SER A 311 17.892 4.063 -17.051 1.00 2.43 C ATOM 223 OG SER A 311 18.626 3.950 -15.808 1.00 54.22 O ATOM 0 H SER A 311 16.498 4.807 -14.769 1.00 11.14 H new ATOM 0 HA SER A 311 16.427 5.563 -17.613 1.00 22.54 H new ATOM 0 HB2 SER A 311 17.701 3.070 -17.458 1.00 2.43 H new ATOM 0 HB3 SER A 311 18.492 4.599 -17.786 1.00 2.43 H new ATOM 0 HG SER A 311 19.492 4.400 -15.897 1.00 54.22 H new ATOM 229 N CYS A 312 14.282 4.088 -16.157 1.00 60.44 N ATOM 230 CA CYS A 312 13.207 3.116 -16.124 1.00 23.43 C ATOM 231 C CYS A 312 11.919 3.834 -15.896 1.00 41.45 C ATOM 232 O CYS A 312 11.771 4.615 -14.916 1.00 72.14 O ATOM 233 CB CYS A 312 13.324 2.053 -14.992 1.00 35.42 C ATOM 234 SG CYS A 312 14.652 0.836 -15.249 1.00 32.40 S ATOM 0 H CYS A 312 14.112 4.950 -15.639 1.00 60.44 H new ATOM 0 HA CYS A 312 13.259 2.593 -17.079 1.00 23.43 H new ATOM 0 HB2 CYS A 312 13.493 2.564 -14.044 1.00 35.42 H new ATOM 0 HB3 CYS A 312 12.374 1.525 -14.904 1.00 35.42 H new ATOM 0 HG CYS A 312 15.413 1.224 -16.229 1.00 32.40 H new ATOM 240 N VAL A 313 10.950 3.566 -16.802 1.00 23.14 N ATOM 241 CA VAL A 313 9.608 4.024 -16.666 1.00 42.01 C ATOM 242 C VAL A 313 8.920 2.837 -16.084 1.00 22.21 C ATOM 243 O VAL A 313 9.079 1.721 -16.576 1.00 72.23 O ATOM 244 CB VAL A 313 8.915 4.348 -17.997 1.00 21.50 C ATOM 245 CG1 VAL A 313 7.511 4.926 -17.713 1.00 43.32 C ATOM 246 CG2 VAL A 313 9.780 5.320 -18.824 1.00 23.42 C ATOM 0 H VAL A 313 11.112 3.017 -17.646 1.00 23.14 H new ATOM 0 HA VAL A 313 9.579 4.946 -16.085 1.00 42.01 H new ATOM 0 HB VAL A 313 8.796 3.439 -18.586 1.00 21.50 H new ATOM 0 HG11 VAL A 313 7.015 5.158 -18.656 1.00 43.32 H new ATOM 0 HG12 VAL A 313 6.920 4.193 -17.163 1.00 43.32 H new ATOM 0 HG13 VAL A 313 7.605 5.836 -17.120 1.00 43.32 H new ATOM 0 HG21 VAL A 313 9.278 5.542 -19.766 1.00 23.42 H new ATOM 0 HG22 VAL A 313 9.926 6.244 -18.264 1.00 23.42 H new ATOM 0 HG23 VAL A 313 10.748 4.862 -19.028 1.00 23.42 H new ATOM 256 N PHE A 314 8.176 3.029 -15.013 1.00 53.34 N ATOM 257 CA PHE A 314 7.497 1.927 -14.402 1.00 71.45 C ATOM 258 C PHE A 314 6.126 1.905 -14.962 1.00 24.23 C ATOM 259 O PHE A 314 5.331 2.870 -14.758 1.00 41.12 O ATOM 260 CB PHE A 314 7.424 2.018 -12.862 1.00 11.23 C ATOM 261 CG PHE A 314 8.730 1.703 -12.160 1.00 73.15 C ATOM 262 CD1 PHE A 314 9.643 0.797 -12.703 1.00 13.03 C ATOM 263 CD2 PHE A 314 9.039 2.299 -10.950 1.00 54.02 C ATOM 264 CE1 PHE A 314 10.809 0.508 -12.050 1.00 25.54 C ATOM 265 CE2 PHE A 314 10.216 1.998 -10.308 1.00 54.21 C ATOM 266 CZ PHE A 314 11.093 1.103 -10.858 1.00 0.53 C ATOM 0 H PHE A 314 8.033 3.931 -14.559 1.00 53.34 H new ATOM 0 HA PHE A 314 8.055 1.016 -14.617 1.00 71.45 H new ATOM 0 HB2 PHE A 314 7.107 3.023 -12.583 1.00 11.23 H new ATOM 0 HB3 PHE A 314 6.657 1.331 -12.504 1.00 11.23 H new ATOM 0 HD1 PHE A 314 9.426 0.320 -13.647 1.00 13.03 H new ATOM 0 HD2 PHE A 314 8.351 3.005 -10.508 1.00 54.02 H new ATOM 0 HE1 PHE A 314 11.507 -0.194 -12.481 1.00 25.54 H new ATOM 0 HE2 PHE A 314 10.450 2.470 -9.365 1.00 54.21 H new ATOM 0 HZ PHE A 314 12.014 0.868 -10.345 1.00 0.53 H new ATOM 276 N LEU A 315 5.776 0.789 -15.659 1.00 41.41 N ATOM 277 CA LEU A 315 4.485 0.687 -16.255 1.00 40.44 C ATOM 278 C LEU A 315 3.579 0.324 -15.148 1.00 63.54 C ATOM 279 O LEU A 315 3.565 -0.807 -14.656 1.00 3.15 O ATOM 280 CB LEU A 315 4.416 -0.469 -17.290 1.00 75.44 C ATOM 281 CG LEU A 315 3.432 -0.245 -18.447 1.00 13.32 C ATOM 282 CD1 LEU A 315 3.618 -1.285 -19.559 1.00 22.15 C ATOM 283 CD2 LEU A 315 1.969 -0.168 -17.978 1.00 54.14 C ATOM 0 H LEU A 315 6.382 -0.019 -15.801 1.00 41.41 H new ATOM 0 HA LEU A 315 4.234 1.618 -16.763 1.00 40.44 H new ATOM 0 HB2 LEU A 315 5.412 -0.625 -17.705 1.00 75.44 H new ATOM 0 HB3 LEU A 315 4.140 -1.386 -16.770 1.00 75.44 H new ATOM 0 HG LEU A 315 3.670 0.732 -18.868 1.00 13.32 H new ATOM 0 HD11 LEU A 315 2.904 -1.093 -20.360 1.00 22.15 H new ATOM 0 HD12 LEU A 315 4.632 -1.218 -19.953 1.00 22.15 H new ATOM 0 HD13 LEU A 315 3.451 -2.283 -19.155 1.00 22.15 H new ATOM 0 HD21 LEU A 315 1.319 -0.009 -18.838 1.00 54.14 H new ATOM 0 HD22 LEU A 315 1.696 -1.101 -17.484 1.00 54.14 H new ATOM 0 HD23 LEU A 315 1.854 0.660 -17.278 1.00 54.14 H new ATOM 295 N GLU A 316 2.956 1.321 -14.625 1.00 75.43 N ATOM 296 CA GLU A 316 1.873 1.183 -13.763 1.00 15.30 C ATOM 297 C GLU A 316 1.017 2.326 -14.130 1.00 13.31 C ATOM 298 O GLU A 316 -0.036 2.240 -14.736 1.00 42.02 O ATOM 299 CB GLU A 316 2.238 1.205 -12.261 1.00 32.43 C ATOM 300 CG GLU A 316 3.762 1.238 -11.999 1.00 3.53 C ATOM 301 CD GLU A 316 4.011 1.665 -10.579 1.00 41.11 C ATOM 302 OE1 GLU A 316 3.481 2.753 -10.181 1.00 20.13 O ATOM 303 OE2 GLU A 316 4.786 1.019 -9.894 1.00 71.34 O ATOM 0 H GLU A 316 3.212 2.292 -14.805 1.00 75.43 H new ATOM 0 HA GLU A 316 1.397 0.209 -13.876 1.00 15.30 H new ATOM 0 HB2 GLU A 316 1.778 2.077 -11.796 1.00 32.43 H new ATOM 0 HB3 GLU A 316 1.813 0.325 -11.779 1.00 32.43 H new ATOM 0 HG2 GLU A 316 4.195 0.253 -12.176 1.00 3.53 H new ATOM 0 HG3 GLU A 316 4.247 1.928 -12.689 1.00 3.53 H new ATOM 310 N CYS A 317 1.649 3.468 -13.813 1.00 53.42 N ATOM 311 CA CYS A 317 1.101 4.796 -13.828 1.00 43.05 C ATOM 312 C CYS A 317 1.888 5.619 -14.843 1.00 2.30 C ATOM 313 O CYS A 317 1.462 6.697 -15.217 1.00 52.42 O ATOM 314 CB CYS A 317 1.387 5.447 -12.447 1.00 31.35 C ATOM 315 SG CYS A 317 3.101 4.958 -11.947 1.00 24.30 S ATOM 0 H CYS A 317 2.626 3.465 -13.521 1.00 53.42 H new ATOM 0 HA CYS A 317 0.036 4.762 -14.059 1.00 43.05 H new ATOM 0 HB2 CYS A 317 1.300 6.532 -12.509 1.00 31.35 H new ATOM 0 HB3 CYS A 317 0.661 5.111 -11.707 1.00 31.35 H new ATOM 320 N GLY A 318 3.092 5.125 -15.301 1.00 52.45 N ATOM 321 CA GLY A 318 3.902 5.931 -16.212 1.00 33.10 C ATOM 322 C GLY A 318 4.872 6.805 -15.450 1.00 72.43 C ATOM 323 O GLY A 318 5.327 7.805 -15.969 1.00 4.22 O ATOM 0 H GLY A 318 3.484 4.216 -15.054 1.00 52.45 H new ATOM 0 HA2 GLY A 318 4.452 5.278 -16.890 1.00 33.10 H new ATOM 0 HA3 GLY A 318 3.252 6.554 -16.827 1.00 33.10 H new ATOM 327 N HIS A 319 5.223 6.456 -14.189 1.00 34.30 N ATOM 328 CA HIS A 319 6.200 7.274 -13.455 1.00 21.20 C ATOM 329 C HIS A 319 7.548 6.820 -13.938 1.00 62.21 C ATOM 330 O HIS A 319 7.780 5.615 -14.049 1.00 54.24 O ATOM 331 CB HIS A 319 6.168 7.077 -11.905 1.00 11.44 C ATOM 332 CG HIS A 319 5.438 8.171 -11.105 1.00 55.21 C ATOM 333 ND1 HIS A 319 4.564 7.813 -10.079 1.00 71.11 N ATOM 334 CD2 HIS A 319 5.499 9.525 -11.211 1.00 41.04 C ATOM 335 CE1 HIS A 319 4.115 8.949 -9.595 1.00 32.43 C ATOM 336 NE2 HIS A 319 4.651 10.015 -10.240 1.00 24.34 N ATOM 0 H HIS A 319 4.859 5.649 -13.682 1.00 34.30 H new ATOM 0 HA HIS A 319 5.973 8.324 -13.638 1.00 21.20 H new ATOM 0 HB2 HIS A 319 5.695 6.119 -11.689 1.00 11.44 H new ATOM 0 HB3 HIS A 319 7.195 7.014 -11.545 1.00 11.44 H new ATOM 0 HD2 HIS A 319 6.089 10.098 -11.911 1.00 41.04 H new ATOM 0 HE1 HIS A 319 3.406 9.025 -8.783 1.00 32.43 H new ATOM 0 HE2 HIS A 319 4.462 10.998 -10.043 1.00 24.34 H new ATOM 344 N VAL A 320 8.468 7.756 -14.147 1.00 23.20 N ATOM 345 CA VAL A 320 9.802 7.439 -14.591 1.00 11.20 C ATOM 346 C VAL A 320 10.615 7.818 -13.413 1.00 73.52 C ATOM 347 O VAL A 320 10.589 8.981 -13.016 1.00 5.12 O ATOM 348 CB VAL A 320 10.243 8.274 -15.795 1.00 73.32 C ATOM 349 CG1 VAL A 320 11.337 7.514 -16.563 1.00 52.12 C ATOM 350 CG2 VAL A 320 9.011 8.561 -16.683 1.00 42.11 C ATOM 0 H VAL A 320 8.300 8.753 -14.011 1.00 23.20 H new ATOM 0 HA VAL A 320 9.892 6.401 -14.913 1.00 11.20 H new ATOM 0 HB VAL A 320 10.661 9.228 -15.474 1.00 73.32 H new ATOM 0 HG11 VAL A 320 11.655 8.104 -17.422 1.00 52.12 H new ATOM 0 HG12 VAL A 320 12.189 7.341 -15.906 1.00 52.12 H new ATOM 0 HG13 VAL A 320 10.943 6.557 -16.906 1.00 52.12 H new ATOM 0 HG21 VAL A 320 9.314 9.156 -17.545 1.00 42.11 H new ATOM 0 HG22 VAL A 320 8.582 7.619 -17.025 1.00 42.11 H new ATOM 0 HG23 VAL A 320 8.267 9.111 -16.106 1.00 42.11 H new ATOM 360 N CYS A 321 11.300 6.856 -12.738 1.00 65.43 N ATOM 361 CA CYS A 321 11.968 7.281 -11.512 1.00 0.22 C ATOM 362 C CYS A 321 13.141 6.401 -11.140 1.00 51.53 C ATOM 363 O CYS A 321 14.013 6.840 -10.364 1.00 51.33 O ATOM 364 CB CYS A 321 10.995 7.335 -10.301 1.00 24.13 C ATOM 365 SG CYS A 321 9.608 6.141 -10.449 1.00 22.10 S ATOM 0 H CYS A 321 11.393 5.875 -13.000 1.00 65.43 H new ATOM 0 HA CYS A 321 12.336 8.283 -11.733 1.00 0.22 H new ATOM 0 HB2 CYS A 321 11.550 7.129 -9.386 1.00 24.13 H new ATOM 0 HB3 CYS A 321 10.592 8.344 -10.209 1.00 24.13 H new ATOM 0 HG CYS A 321 10.017 4.956 -10.106 1.00 22.10 H new ATOM 371 N SER A 322 13.237 5.156 -11.646 1.00 34.11 N ATOM 372 CA SER A 322 14.299 4.284 -11.173 1.00 22.42 C ATOM 373 C SER A 322 15.284 4.079 -12.260 1.00 62.14 C ATOM 374 O SER A 322 15.132 4.573 -13.332 1.00 5.32 O ATOM 375 CB SER A 322 13.840 2.911 -10.636 1.00 51.01 C ATOM 376 OG SER A 322 14.797 2.412 -9.673 1.00 44.43 O ATOM 0 H SER A 322 12.617 4.756 -12.350 1.00 34.11 H new ATOM 0 HA SER A 322 14.736 4.798 -10.317 1.00 22.42 H new ATOM 0 HB2 SER A 322 12.858 3.003 -10.172 1.00 51.01 H new ATOM 0 HB3 SER A 322 13.738 2.204 -11.460 1.00 51.01 H new ATOM 0 HG SER A 322 14.498 1.542 -9.336 1.00 44.43 H new ATOM 382 N CYS A 323 16.352 3.328 -11.942 1.00 5.25 N ATOM 383 CA CYS A 323 17.429 3.088 -12.867 1.00 1.21 C ATOM 384 C CYS A 323 17.522 1.609 -12.935 1.00 1.33 C ATOM 385 O CYS A 323 17.212 0.949 -11.936 1.00 5.33 O ATOM 386 CB CYS A 323 18.822 3.750 -12.456 1.00 11.13 C ATOM 387 SG CYS A 323 19.795 2.883 -11.153 1.00 60.31 S ATOM 0 H CYS A 323 16.476 2.879 -11.034 1.00 5.25 H new ATOM 0 HA CYS A 323 17.218 3.556 -13.829 1.00 1.21 H new ATOM 0 HB2 CYS A 323 19.441 3.825 -13.350 1.00 11.13 H new ATOM 0 HB3 CYS A 323 18.629 4.768 -12.116 1.00 11.13 H new ATOM 392 N THR A 324 17.961 1.069 -14.089 1.00 73.12 N ATOM 393 CA THR A 324 17.995 -0.373 -14.364 1.00 14.10 C ATOM 394 C THR A 324 18.636 -1.144 -13.229 1.00 0.50 C ATOM 395 O THR A 324 18.056 -2.086 -12.705 1.00 11.40 O ATOM 396 CB THR A 324 18.744 -0.693 -15.651 1.00 24.21 C ATOM 397 OG1 THR A 324 18.763 0.464 -16.505 1.00 40.33 O ATOM 398 CG2 THR A 324 18.043 -1.862 -16.359 1.00 22.34 C ATOM 0 H THR A 324 18.306 1.634 -14.865 1.00 73.12 H new ATOM 0 HA THR A 324 16.955 -0.680 -14.471 1.00 14.10 H new ATOM 0 HB THR A 324 19.772 -0.972 -15.420 1.00 24.21 H new ATOM 0 HG1 THR A 324 19.247 0.253 -17.330 1.00 40.33 H new ATOM 0 HG21 THR A 324 18.572 -2.098 -17.282 1.00 22.34 H new ATOM 0 HG22 THR A 324 18.043 -2.735 -15.707 1.00 22.34 H new ATOM 0 HG23 THR A 324 17.015 -1.583 -16.591 1.00 22.34 H new ATOM 406 N GLU A 325 19.827 -0.712 -12.802 1.00 32.31 N ATOM 407 CA GLU A 325 20.590 -1.441 -11.814 1.00 3.13 C ATOM 408 C GLU A 325 19.890 -1.420 -10.473 1.00 73.11 C ATOM 409 O GLU A 325 19.958 -2.373 -9.745 1.00 53.33 O ATOM 410 CB GLU A 325 21.999 -0.877 -11.650 1.00 13.20 C ATOM 411 CG GLU A 325 22.792 -0.878 -12.985 1.00 20.24 C ATOM 412 CD GLU A 325 22.841 0.546 -13.538 1.00 23.20 C ATOM 413 OE1 GLU A 325 23.957 1.020 -13.880 1.00 0.43 O ATOM 414 OE2 GLU A 325 21.736 1.187 -13.612 1.00 1.21 O ATOM 0 H GLU A 325 20.275 0.143 -13.133 1.00 32.31 H new ATOM 0 HA GLU A 325 20.668 -2.467 -12.173 1.00 3.13 H new ATOM 0 HB2 GLU A 325 21.938 0.142 -11.267 1.00 13.20 H new ATOM 0 HB3 GLU A 325 22.539 -1.465 -10.908 1.00 13.20 H new ATOM 0 HG2 GLU A 325 23.802 -1.253 -12.822 1.00 20.24 H new ATOM 0 HG3 GLU A 325 22.317 -1.545 -13.704 1.00 20.24 H new ATOM 421 N CYS A 326 19.171 -0.313 -10.149 1.00 11.31 N ATOM 422 CA CYS A 326 18.471 -0.216 -8.843 1.00 73.35 C ATOM 423 C CYS A 326 17.405 -1.261 -8.839 1.00 74.41 C ATOM 424 O CYS A 326 17.197 -1.951 -7.856 1.00 34.23 O ATOM 425 CB CYS A 326 17.713 1.135 -8.616 1.00 12.13 C ATOM 426 SG CYS A 326 18.560 2.327 -7.552 1.00 12.13 S ATOM 0 H CYS A 326 19.063 0.501 -10.754 1.00 11.31 H new ATOM 0 HA CYS A 326 19.236 -0.319 -8.073 1.00 73.35 H new ATOM 0 HB2 CYS A 326 17.535 1.600 -9.586 1.00 12.13 H new ATOM 0 HB3 CYS A 326 16.737 0.917 -8.184 1.00 12.13 H new ATOM 431 N TYR A 327 16.682 -1.358 -9.971 1.00 1.14 N ATOM 432 CA TYR A 327 15.568 -2.258 -10.081 1.00 53.51 C ATOM 433 C TYR A 327 16.098 -3.666 -9.983 1.00 40.03 C ATOM 434 O TYR A 327 15.892 -4.349 -8.986 1.00 65.21 O ATOM 435 CB TYR A 327 14.828 -2.076 -11.447 1.00 2.03 C ATOM 436 CG TYR A 327 13.590 -2.907 -11.644 1.00 15.30 C ATOM 437 CD1 TYR A 327 12.368 -2.484 -11.162 1.00 15.14 C ATOM 438 CD2 TYR A 327 13.654 -4.105 -12.325 1.00 22.40 C ATOM 439 CE1 TYR A 327 11.246 -3.241 -11.355 1.00 25.31 C ATOM 440 CE2 TYR A 327 12.527 -4.859 -12.513 1.00 42.42 C ATOM 441 CZ TYR A 327 11.324 -4.425 -12.028 1.00 12.12 C ATOM 442 OH TYR A 327 10.169 -5.197 -12.217 1.00 32.23 O ATOM 0 H TYR A 327 16.867 -0.813 -10.813 1.00 1.14 H new ATOM 0 HA TYR A 327 14.855 -2.050 -9.283 1.00 53.51 H new ATOM 0 HB2 TYR A 327 14.557 -1.026 -11.553 1.00 2.03 H new ATOM 0 HB3 TYR A 327 15.528 -2.307 -12.250 1.00 2.03 H new ATOM 0 HD1 TYR A 327 12.297 -1.548 -10.628 1.00 15.14 H new ATOM 0 HD2 TYR A 327 14.601 -4.451 -12.713 1.00 22.40 H new ATOM 0 HE1 TYR A 327 10.295 -2.900 -10.973 1.00 25.31 H new ATOM 0 HE2 TYR A 327 12.588 -5.797 -13.045 1.00 42.42 H new ATOM 0 HH TYR A 327 10.396 -6.009 -12.716 1.00 32.23 H new ATOM 452 N ARG A 328 16.960 -4.029 -10.952 1.00 14.23 N ATOM 453 CA ARG A 328 17.416 -5.399 -11.150 1.00 1.44 C ATOM 454 C ARG A 328 18.160 -5.893 -9.938 1.00 2.01 C ATOM 455 O ARG A 328 18.143 -7.087 -9.627 1.00 33.14 O ATOM 456 CB ARG A 328 18.332 -5.521 -12.392 1.00 60.12 C ATOM 457 CG ARG A 328 18.611 -6.955 -12.837 1.00 4.13 C ATOM 458 CD ARG A 328 20.099 -7.309 -12.819 1.00 42.02 C ATOM 459 NE ARG A 328 20.628 -7.201 -14.224 1.00 74.14 N ATOM 460 CZ ARG A 328 21.569 -6.258 -14.583 1.00 61.41 C ATOM 461 NH1 ARG A 328 22.036 -5.337 -13.670 1.00 40.03 N ATOM 462 NH2 ARG A 328 22.037 -6.237 -15.868 1.00 74.14 N ATOM 0 H ARG A 328 17.357 -3.367 -11.619 1.00 14.23 H new ATOM 0 HA ARG A 328 16.528 -6.011 -11.309 1.00 1.44 H new ATOM 0 HB2 ARG A 328 17.874 -4.980 -13.220 1.00 60.12 H new ATOM 0 HB3 ARG A 328 19.281 -5.030 -12.177 1.00 60.12 H new ATOM 0 HG2 ARG A 328 18.072 -7.643 -12.186 1.00 4.13 H new ATOM 0 HG3 ARG A 328 18.221 -7.099 -13.845 1.00 4.13 H new ATOM 0 HD2 ARG A 328 20.642 -6.635 -12.156 1.00 42.02 H new ATOM 0 HD3 ARG A 328 20.244 -8.319 -12.435 1.00 42.02 H new ATOM 0 HE ARG A 328 20.280 -7.846 -14.934 1.00 74.14 H new ATOM 0 HH11 ARG A 328 21.686 -5.346 -12.712 1.00 40.03 H new ATOM 0 HH12 ARG A 328 22.732 -4.647 -13.952 1.00 40.03 H new ATOM 0 HH21 ARG A 328 21.690 -6.913 -16.548 1.00 74.14 H new ATOM 0 HH22 ARG A 328 22.733 -5.545 -16.146 1.00 74.14 H new ATOM 476 N ALA A 329 18.815 -4.990 -9.224 1.00 34.12 N ATOM 477 CA ALA A 329 19.557 -5.390 -8.063 1.00 32.33 C ATOM 478 C ALA A 329 18.595 -5.701 -6.956 1.00 20.24 C ATOM 479 O ALA A 329 18.622 -6.784 -6.416 1.00 24.43 O ATOM 480 CB ALA A 329 20.520 -4.302 -7.538 1.00 35.35 C ATOM 0 H ALA A 329 18.842 -3.992 -9.433 1.00 34.12 H new ATOM 0 HA ALA A 329 20.153 -6.253 -8.362 1.00 32.33 H new ATOM 0 HB1 ALA A 329 21.046 -4.675 -6.660 1.00 35.35 H new ATOM 0 HB2 ALA A 329 21.243 -4.050 -8.314 1.00 35.35 H new ATOM 0 HB3 ALA A 329 19.951 -3.412 -7.269 1.00 35.35 H new ATOM 486 N LEU A 330 17.736 -4.726 -6.617 1.00 55.31 N ATOM 487 CA LEU A 330 16.879 -4.790 -5.420 1.00 12.04 C ATOM 488 C LEU A 330 15.726 -5.739 -5.634 1.00 34.21 C ATOM 489 O LEU A 330 14.782 -5.388 -6.337 1.00 64.45 O ATOM 490 CB LEU A 330 16.275 -3.391 -5.097 1.00 2.21 C ATOM 491 CG LEU A 330 15.424 -3.295 -3.809 1.00 11.05 C ATOM 492 CD1 LEU A 330 15.980 -4.122 -2.633 1.00 21.32 C ATOM 493 CD2 LEU A 330 15.165 -1.837 -3.398 1.00 35.24 C ATOM 0 H LEU A 330 17.616 -3.873 -7.163 1.00 55.31 H new ATOM 0 HA LEU A 330 17.507 -5.134 -4.598 1.00 12.04 H new ATOM 0 HB2 LEU A 330 17.093 -2.674 -5.022 1.00 2.21 H new ATOM 0 HB3 LEU A 330 15.657 -3.082 -5.940 1.00 2.21 H new ATOM 0 HG LEU A 330 14.466 -3.747 -4.064 1.00 11.05 H new ATOM 0 HD11 LEU A 330 15.330 -4.004 -1.766 1.00 21.32 H new ATOM 0 HD12 LEU A 330 16.021 -5.174 -2.915 1.00 21.32 H new ATOM 0 HD13 LEU A 330 16.982 -3.773 -2.385 1.00 21.32 H new ATOM 0 HD21 LEU A 330 14.564 -1.817 -2.489 1.00 35.24 H new ATOM 0 HD22 LEU A 330 16.116 -1.336 -3.216 1.00 35.24 H new ATOM 0 HD23 LEU A 330 14.631 -1.323 -4.197 1.00 35.24 H new ATOM 505 N PRO A 331 15.714 -6.942 -5.023 1.00 43.45 N ATOM 506 CA PRO A 331 14.548 -7.763 -5.158 1.00 14.23 C ATOM 507 C PRO A 331 13.628 -7.617 -3.968 1.00 32.41 C ATOM 508 O PRO A 331 13.957 -7.964 -2.835 1.00 72.24 O ATOM 509 CB PRO A 331 15.163 -9.178 -5.182 1.00 20.10 C ATOM 510 CG PRO A 331 16.486 -9.055 -4.380 1.00 42.23 C ATOM 511 CD PRO A 331 16.718 -7.544 -4.163 1.00 11.40 C ATOM 0 HA PRO A 331 13.941 -7.514 -6.029 1.00 14.23 H new ATOM 0 HB2 PRO A 331 14.492 -9.907 -4.728 1.00 20.10 H new ATOM 0 HB3 PRO A 331 15.350 -9.510 -6.203 1.00 20.10 H new ATOM 0 HG2 PRO A 331 16.414 -9.579 -3.427 1.00 42.23 H new ATOM 0 HG3 PRO A 331 17.316 -9.502 -4.927 1.00 42.23 H new ATOM 0 HD2 PRO A 331 16.582 -7.259 -3.120 1.00 11.40 H new ATOM 0 HD3 PRO A 331 17.727 -7.244 -4.446 1.00 11.40 H new ATOM 519 N GLU A 332 12.473 -7.086 -4.236 1.00 4.04 N ATOM 520 CA GLU A 332 11.358 -7.020 -3.336 1.00 11.33 C ATOM 521 C GLU A 332 10.263 -7.047 -4.304 1.00 1.43 C ATOM 522 O GLU A 332 10.536 -7.076 -5.494 1.00 51.41 O ATOM 523 CB GLU A 332 11.294 -5.695 -2.517 1.00 42.54 C ATOM 524 CG GLU A 332 12.205 -4.593 -3.075 1.00 31.41 C ATOM 525 CD GLU A 332 11.713 -3.248 -2.585 1.00 12.14 C ATOM 526 OE1 GLU A 332 11.716 -3.040 -1.342 1.00 22.30 O ATOM 527 OE2 GLU A 332 11.322 -2.412 -3.440 1.00 13.13 O ATOM 0 H GLU A 332 12.271 -6.662 -5.141 1.00 4.04 H new ATOM 0 HA GLU A 332 11.371 -7.801 -2.576 1.00 11.33 H new ATOM 0 HB2 GLU A 332 10.266 -5.334 -2.502 1.00 42.54 H new ATOM 0 HB3 GLU A 332 11.574 -5.900 -1.484 1.00 42.54 H new ATOM 0 HG2 GLU A 332 13.234 -4.757 -2.754 1.00 31.41 H new ATOM 0 HG3 GLU A 332 12.203 -4.620 -4.165 1.00 31.41 H new ATOM 534 N PRO A 333 9.023 -7.042 -3.897 1.00 43.41 N ATOM 535 CA PRO A 333 8.034 -6.555 -4.826 1.00 0.21 C ATOM 536 C PRO A 333 8.220 -5.054 -4.812 1.00 55.03 C ATOM 537 O PRO A 333 8.108 -4.427 -3.754 1.00 73.34 O ATOM 538 CB PRO A 333 6.679 -6.948 -4.207 1.00 53.41 C ATOM 539 CG PRO A 333 6.975 -7.236 -2.720 1.00 33.34 C ATOM 540 CD PRO A 333 8.478 -7.548 -2.626 1.00 61.22 C ATOM 0 HA PRO A 333 8.102 -6.940 -5.843 1.00 0.21 H new ATOM 0 HB2 PRO A 333 5.951 -6.144 -4.314 1.00 53.41 H new ATOM 0 HB3 PRO A 333 6.261 -7.825 -4.701 1.00 53.41 H new ATOM 0 HG2 PRO A 333 6.718 -6.377 -2.100 1.00 33.34 H new ATOM 0 HG3 PRO A 333 6.381 -8.077 -2.362 1.00 33.34 H new ATOM 0 HD2 PRO A 333 8.936 -7.054 -1.769 1.00 61.22 H new ATOM 0 HD3 PRO A 333 8.658 -8.617 -2.511 1.00 61.22 H new ATOM 548 N LYS A 334 8.526 -4.448 -5.956 1.00 63.34 N ATOM 549 CA LYS A 334 8.888 -3.056 -5.933 1.00 42.33 C ATOM 550 C LYS A 334 7.675 -2.244 -6.105 1.00 74.32 C ATOM 551 O LYS A 334 6.787 -2.564 -6.908 1.00 41.42 O ATOM 552 CB LYS A 334 9.920 -2.652 -7.011 1.00 1.23 C ATOM 553 CG LYS A 334 11.353 -3.099 -6.688 1.00 33.31 C ATOM 554 CD LYS A 334 12.024 -3.865 -7.823 1.00 65.11 C ATOM 555 CE LYS A 334 11.759 -5.361 -7.742 1.00 3.41 C ATOM 556 NZ LYS A 334 11.509 -5.941 -9.080 1.00 42.02 N ATOM 0 H LYS A 334 8.528 -4.890 -6.875 1.00 63.34 H new ATOM 0 HA LYS A 334 9.364 -2.877 -4.969 1.00 42.33 H new ATOM 0 HB2 LYS A 334 9.621 -3.081 -7.967 1.00 1.23 H new ATOM 0 HB3 LYS A 334 9.904 -1.569 -7.129 1.00 1.23 H new ATOM 0 HG2 LYS A 334 11.953 -2.221 -6.449 1.00 33.31 H new ATOM 0 HG3 LYS A 334 11.337 -3.727 -5.797 1.00 33.31 H new ATOM 0 HD2 LYS A 334 11.663 -3.485 -8.779 1.00 65.11 H new ATOM 0 HD3 LYS A 334 13.099 -3.686 -7.794 1.00 65.11 H new ATOM 0 HE2 LYS A 334 12.613 -5.858 -7.283 1.00 3.41 H new ATOM 0 HE3 LYS A 334 10.899 -5.545 -7.098 1.00 3.41 H new ATOM 0 HZ1 LYS A 334 10.589 -6.426 -9.082 1.00 42.02 H new ATOM 0 HZ2 LYS A 334 11.502 -5.182 -9.791 1.00 42.02 H new ATOM 0 HZ3 LYS A 334 12.260 -6.623 -9.309 1.00 42.02 H new ATOM 570 N LYS A 335 7.605 -1.180 -5.314 1.00 53.21 N ATOM 571 CA LYS A 335 6.530 -0.261 -5.390 1.00 2.12 C ATOM 572 C LYS A 335 7.087 0.946 -6.053 1.00 32.14 C ATOM 573 O LYS A 335 8.288 1.199 -6.008 1.00 5.11 O ATOM 574 CB LYS A 335 5.968 0.172 -4.008 1.00 11.43 C ATOM 575 CG LYS A 335 5.635 -1.004 -3.077 1.00 64.11 C ATOM 576 CD LYS A 335 4.301 -1.695 -3.411 1.00 32.13 C ATOM 577 CE LYS A 335 4.446 -3.190 -3.720 1.00 3.03 C ATOM 578 NZ LYS A 335 5.251 -3.858 -2.672 1.00 3.33 N ATOM 0 H LYS A 335 8.305 -0.950 -4.608 1.00 53.21 H new ATOM 0 HA LYS A 335 5.704 -0.734 -5.921 1.00 2.12 H new ATOM 0 HB2 LYS A 335 6.696 0.817 -3.516 1.00 11.43 H new ATOM 0 HB3 LYS A 335 5.068 0.767 -4.163 1.00 11.43 H new ATOM 0 HG2 LYS A 335 6.439 -1.738 -3.131 1.00 64.11 H new ATOM 0 HG3 LYS A 335 5.601 -0.644 -2.049 1.00 64.11 H new ATOM 0 HD2 LYS A 335 3.617 -1.570 -2.572 1.00 32.13 H new ATOM 0 HD3 LYS A 335 3.848 -1.197 -4.268 1.00 32.13 H new ATOM 0 HE2 LYS A 335 3.461 -3.652 -3.781 1.00 3.03 H new ATOM 0 HE3 LYS A 335 4.921 -3.323 -4.692 1.00 3.03 H new ATOM 0 HZ1 LYS A 335 4.839 -4.788 -2.458 1.00 3.33 H new ATOM 0 HZ2 LYS A 335 6.227 -3.981 -3.010 1.00 3.33 H new ATOM 0 HZ3 LYS A 335 5.254 -3.274 -1.811 1.00 3.33 H new ATOM 592 N CYS A 336 6.213 1.696 -6.717 1.00 61.41 N ATOM 593 CA CYS A 336 6.555 2.961 -7.340 1.00 71.43 C ATOM 594 C CYS A 336 7.062 3.871 -6.234 1.00 61.25 C ATOM 595 O CYS A 336 6.299 4.231 -5.387 1.00 34.14 O ATOM 596 CB CYS A 336 5.306 3.644 -7.958 1.00 32.33 C ATOM 597 SG CYS A 336 5.691 4.686 -9.406 1.00 64.11 S ATOM 0 H CYS A 336 5.234 1.434 -6.837 1.00 61.41 H new ATOM 0 HA CYS A 336 7.288 2.788 -8.128 1.00 71.43 H new ATOM 0 HB2 CYS A 336 4.590 2.877 -8.252 1.00 32.33 H new ATOM 0 HB3 CYS A 336 4.822 4.257 -7.197 1.00 32.33 H new ATOM 602 N PRO A 337 8.307 4.310 -6.287 1.00 34.42 N ATOM 603 CA PRO A 337 8.877 5.157 -5.212 1.00 21.33 C ATOM 604 C PRO A 337 8.180 6.480 -5.032 1.00 73.22 C ATOM 605 O PRO A 337 8.350 7.148 -4.027 1.00 63.54 O ATOM 606 CB PRO A 337 10.345 5.382 -5.625 1.00 45.24 C ATOM 607 CG PRO A 337 10.400 5.024 -7.105 1.00 3.53 C ATOM 608 CD PRO A 337 9.282 4.017 -7.344 1.00 43.01 C ATOM 0 HA PRO A 337 8.761 4.658 -4.250 1.00 21.33 H new ATOM 0 HB2 PRO A 337 10.648 6.416 -5.458 1.00 45.24 H new ATOM 0 HB3 PRO A 337 11.019 4.754 -5.042 1.00 45.24 H new ATOM 0 HG2 PRO A 337 10.264 5.910 -7.725 1.00 3.53 H new ATOM 0 HG3 PRO A 337 11.369 4.598 -7.366 1.00 3.53 H new ATOM 0 HD2 PRO A 337 8.844 4.135 -8.335 1.00 43.01 H new ATOM 0 HD3 PRO A 337 9.647 2.992 -7.277 1.00 43.01 H new ATOM 616 N ILE A 338 7.400 6.895 -6.041 1.00 63.43 N ATOM 617 CA ILE A 338 6.728 8.158 -5.977 1.00 31.43 C ATOM 618 C ILE A 338 5.304 7.951 -5.482 1.00 42.52 C ATOM 619 O ILE A 338 4.820 8.725 -4.684 1.00 3.14 O ATOM 620 CB ILE A 338 6.657 8.872 -7.329 1.00 53.34 C ATOM 621 CG1 ILE A 338 7.864 8.547 -8.229 1.00 0.02 C ATOM 622 CG2 ILE A 338 6.544 10.378 -7.089 1.00 15.10 C ATOM 623 CD1 ILE A 338 9.157 9.195 -7.749 1.00 54.23 C ATOM 0 H ILE A 338 7.233 6.364 -6.896 1.00 63.43 H new ATOM 0 HA ILE A 338 7.308 8.781 -5.296 1.00 31.43 H new ATOM 0 HB ILE A 338 5.775 8.514 -7.861 1.00 53.34 H new ATOM 0 HG12 ILE A 338 7.999 7.466 -8.270 1.00 0.02 H new ATOM 0 HG13 ILE A 338 7.653 8.880 -9.245 1.00 0.02 H new ATOM 0 HG21 ILE A 338 6.493 10.896 -8.047 1.00 15.10 H new ATOM 0 HG22 ILE A 338 5.642 10.588 -6.514 1.00 15.10 H new ATOM 0 HG23 ILE A 338 7.416 10.725 -6.535 1.00 15.10 H new ATOM 0 HD11 ILE A 338 9.970 8.928 -8.424 1.00 54.23 H new ATOM 0 HD12 ILE A 338 9.038 10.278 -7.735 1.00 54.23 H new ATOM 0 HD13 ILE A 338 9.390 8.842 -6.744 1.00 54.23 H new ATOM 635 N CYS A 339 4.618 6.853 -5.923 1.00 23.50 N ATOM 636 CA CYS A 339 3.168 6.772 -5.675 1.00 62.11 C ATOM 637 C CYS A 339 2.801 5.509 -4.905 1.00 22.20 C ATOM 638 O CYS A 339 1.646 5.297 -4.591 1.00 44.02 O ATOM 639 CB CYS A 339 2.322 6.868 -6.994 1.00 74.34 C ATOM 640 SG CYS A 339 2.361 5.355 -8.015 1.00 23.45 S ATOM 0 H CYS A 339 5.027 6.062 -6.421 1.00 23.50 H new ATOM 0 HA CYS A 339 2.919 7.639 -5.063 1.00 62.11 H new ATOM 0 HB2 CYS A 339 1.287 7.092 -6.734 1.00 74.34 H new ATOM 0 HB3 CYS A 339 2.689 7.704 -7.589 1.00 74.34 H new ATOM 645 N ARG A 340 3.783 4.619 -4.665 1.00 0.23 N ATOM 646 CA ARG A 340 3.598 3.402 -3.861 1.00 44.01 C ATOM 647 C ARG A 340 2.723 2.351 -4.531 1.00 41.33 C ATOM 648 O ARG A 340 2.348 1.377 -3.902 1.00 40.31 O ATOM 649 CB ARG A 340 3.139 3.637 -2.408 1.00 2.21 C ATOM 650 CG ARG A 340 4.072 4.578 -1.629 1.00 62.24 C ATOM 651 CD ARG A 340 5.495 4.012 -1.456 1.00 24.30 C ATOM 652 NE ARG A 340 6.454 5.159 -1.380 1.00 41.44 N ATOM 653 CZ ARG A 340 7.805 4.928 -1.315 1.00 5.34 C ATOM 654 NH1 ARG A 340 8.286 3.643 -1.302 1.00 52.12 N ATOM 655 NH2 ARG A 340 8.686 5.978 -1.290 1.00 23.13 N ATOM 0 H ARG A 340 4.731 4.727 -5.027 1.00 0.23 H new ATOM 0 HA ARG A 340 4.612 3.008 -3.801 1.00 44.01 H new ATOM 0 HB2 ARG A 340 2.132 4.055 -2.414 1.00 2.21 H new ATOM 0 HB3 ARG A 340 3.083 2.679 -1.891 1.00 2.21 H new ATOM 0 HG2 ARG A 340 4.129 5.535 -2.148 1.00 62.24 H new ATOM 0 HG3 ARG A 340 3.643 4.773 -0.646 1.00 62.24 H new ATOM 0 HD2 ARG A 340 5.555 3.407 -0.551 1.00 24.30 H new ATOM 0 HD3 ARG A 340 5.748 3.361 -2.292 1.00 24.30 H new ATOM 0 HE ARG A 340 6.102 6.116 -1.377 1.00 41.44 H new ATOM 0 HH11 ARG A 340 7.639 2.856 -1.341 1.00 52.12 H new ATOM 0 HH12 ARG A 340 9.291 3.475 -1.254 1.00 52.12 H new ATOM 0 HH21 ARG A 340 8.338 6.936 -1.320 1.00 23.13 H new ATOM 0 HH22 ARG A 340 9.689 5.801 -1.242 1.00 23.13 H new ATOM 669 N GLN A 341 2.389 2.510 -5.823 1.00 53.15 N ATOM 670 CA GLN A 341 1.642 1.455 -6.521 1.00 53.13 C ATOM 671 C GLN A 341 2.631 0.386 -6.850 1.00 72.12 C ATOM 672 O GLN A 341 3.782 0.698 -7.139 1.00 65.32 O ATOM 673 CB GLN A 341 1.106 1.895 -7.881 1.00 23.21 C ATOM 674 CG GLN A 341 -0.128 2.777 -7.837 1.00 72.31 C ATOM 675 CD GLN A 341 -0.290 3.329 -9.244 1.00 1.15 C ATOM 676 OE1 GLN A 341 0.723 3.669 -9.903 1.00 63.43 O ATOM 677 NE2 GLN A 341 -1.527 3.405 -9.737 1.00 64.15 N ATOM 0 H GLN A 341 2.615 3.329 -6.387 1.00 53.15 H new ATOM 0 HA GLN A 341 0.813 1.161 -5.878 1.00 53.13 H new ATOM 0 HB2 GLN A 341 1.896 2.429 -8.409 1.00 23.21 H new ATOM 0 HB3 GLN A 341 0.876 1.006 -8.468 1.00 23.21 H new ATOM 0 HG2 GLN A 341 -1.007 2.206 -7.537 1.00 72.31 H new ATOM 0 HG3 GLN A 341 -0.008 3.582 -7.112 1.00 72.31 H new ATOM 0 HE21 GLN A 341 -2.322 3.118 -9.166 1.00 64.15 H new ATOM 0 HE22 GLN A 341 -1.678 3.750 -10.685 1.00 64.15 H new ATOM 686 N ALA A 342 2.193 -0.888 -6.813 1.00 72.33 N ATOM 687 CA ALA A 342 3.025 -2.016 -7.229 1.00 40.11 C ATOM 688 C ALA A 342 3.375 -1.832 -8.692 1.00 22.54 C ATOM 689 O ALA A 342 2.624 -1.200 -9.457 1.00 31.10 O ATOM 690 CB ALA A 342 2.330 -3.387 -7.078 1.00 13.42 C ATOM 0 H ALA A 342 1.261 -1.154 -6.496 1.00 72.33 H new ATOM 0 HA ALA A 342 3.901 -2.022 -6.581 1.00 40.11 H new ATOM 0 HB1 ALA A 342 3.007 -4.176 -7.406 1.00 13.42 H new ATOM 0 HB2 ALA A 342 2.065 -3.547 -6.033 1.00 13.42 H new ATOM 0 HB3 ALA A 342 1.427 -3.407 -7.689 1.00 13.42 H new ATOM 696 N ILE A 343 4.519 -2.379 -9.104 1.00 72.15 N ATOM 697 CA ILE A 343 4.972 -2.259 -10.464 1.00 61.45 C ATOM 698 C ILE A 343 4.392 -3.406 -11.252 1.00 71.34 C ATOM 699 O ILE A 343 4.414 -4.563 -10.816 1.00 40.31 O ATOM 700 CB ILE A 343 6.493 -2.244 -10.545 1.00 13.03 C ATOM 701 CG1 ILE A 343 7.032 -0.988 -9.844 1.00 23.30 C ATOM 702 CG2 ILE A 343 6.972 -2.321 -12.010 1.00 44.44 C ATOM 703 CD1 ILE A 343 8.512 -1.033 -9.605 1.00 45.33 C ATOM 0 H ILE A 343 5.144 -2.911 -8.499 1.00 72.15 H new ATOM 0 HA ILE A 343 4.633 -1.312 -10.884 1.00 61.45 H new ATOM 0 HB ILE A 343 6.885 -3.124 -10.034 1.00 13.03 H new ATOM 0 HG12 ILE A 343 6.795 -0.113 -10.448 1.00 23.30 H new ATOM 0 HG13 ILE A 343 6.520 -0.865 -8.890 1.00 23.30 H new ATOM 0 HG21 ILE A 343 8.062 -2.309 -12.038 1.00 44.44 H new ATOM 0 HG22 ILE A 343 6.608 -3.243 -12.464 1.00 44.44 H new ATOM 0 HG23 ILE A 343 6.585 -1.466 -12.565 1.00 44.44 H new ATOM 0 HD11 ILE A 343 8.828 -0.116 -9.107 1.00 45.33 H new ATOM 0 HD12 ILE A 343 8.753 -1.890 -8.976 1.00 45.33 H new ATOM 0 HD13 ILE A 343 9.032 -1.126 -10.559 1.00 45.33 H new ATOM 715 N THR A 344 3.841 -3.078 -12.444 1.00 34.40 N ATOM 716 CA THR A 344 3.224 -4.053 -13.298 1.00 43.12 C ATOM 717 C THR A 344 4.245 -4.435 -14.368 1.00 75.41 C ATOM 718 O THR A 344 4.310 -5.590 -14.796 1.00 13.44 O ATOM 719 CB THR A 344 1.953 -3.481 -13.927 1.00 21.25 C ATOM 720 OG1 THR A 344 0.889 -3.458 -12.980 1.00 55.15 O ATOM 721 CG2 THR A 344 1.537 -4.257 -15.178 1.00 63.24 C ATOM 0 H THR A 344 3.825 -2.128 -12.816 1.00 34.40 H new ATOM 0 HA THR A 344 2.931 -4.936 -12.730 1.00 43.12 H new ATOM 0 HB THR A 344 2.175 -2.458 -14.232 1.00 21.25 H new ATOM 0 HG1 THR A 344 0.085 -3.087 -13.400 1.00 55.15 H new ATOM 0 HG21 THR A 344 0.630 -3.818 -15.594 1.00 63.24 H new ATOM 0 HG22 THR A 344 2.336 -4.209 -15.918 1.00 63.24 H new ATOM 0 HG23 THR A 344 1.349 -5.298 -14.915 1.00 63.24 H new ATOM 729 N ARG A 345 5.090 -3.482 -14.772 1.00 24.51 N ATOM 730 CA ARG A 345 6.091 -3.765 -15.779 1.00 0.13 C ATOM 731 C ARG A 345 7.078 -2.663 -15.716 1.00 24.52 C ATOM 732 O ARG A 345 6.811 -1.625 -15.120 1.00 52.01 O ATOM 733 CB ARG A 345 5.532 -3.856 -17.234 1.00 40.52 C ATOM 734 CG ARG A 345 6.200 -4.940 -18.088 1.00 75.14 C ATOM 735 CD ARG A 345 7.028 -4.357 -19.234 1.00 64.11 C ATOM 736 NE ARG A 345 7.840 -5.457 -19.836 1.00 73.23 N ATOM 737 CZ ARG A 345 8.691 -5.187 -20.872 1.00 42.14 C ATOM 738 NH1 ARG A 345 8.874 -3.893 -21.283 1.00 41.43 N ATOM 739 NH2 ARG A 345 9.381 -6.207 -21.476 1.00 4.44 N ATOM 0 H ARG A 345 5.094 -2.525 -14.418 1.00 24.51 H new ATOM 0 HA ARG A 345 6.517 -4.745 -15.564 1.00 0.13 H new ATOM 0 HB2 ARG A 345 4.460 -4.051 -17.190 1.00 40.52 H new ATOM 0 HB3 ARG A 345 5.661 -2.891 -17.724 1.00 40.52 H new ATOM 0 HG2 ARG A 345 6.843 -5.552 -17.455 1.00 75.14 H new ATOM 0 HG3 ARG A 345 5.434 -5.599 -18.497 1.00 75.14 H new ATOM 0 HD2 ARG A 345 6.375 -3.912 -19.985 1.00 64.11 H new ATOM 0 HD3 ARG A 345 7.678 -3.563 -18.866 1.00 64.11 H new ATOM 0 HE ARG A 345 7.760 -6.408 -19.475 1.00 73.23 H new ATOM 0 HH11 ARG A 345 8.376 -3.135 -20.817 1.00 41.43 H new ATOM 0 HH12 ARG A 345 9.508 -3.688 -22.055 1.00 41.43 H new ATOM 0 HH21 ARG A 345 9.259 -7.167 -21.152 1.00 4.44 H new ATOM 0 HH22 ARG A 345 10.016 -6.006 -22.249 1.00 4.44 H new ATOM 753 N VAL A 346 8.260 -2.878 -16.305 1.00 34.30 N ATOM 754 CA VAL A 346 9.266 -1.866 -16.339 1.00 20.22 C ATOM 755 C VAL A 346 9.677 -1.694 -17.774 1.00 64.23 C ATOM 756 O VAL A 346 9.984 -2.655 -18.474 1.00 41.44 O ATOM 757 CB VAL A 346 10.484 -2.187 -15.460 1.00 22.53 C ATOM 758 CG1 VAL A 346 11.066 -3.579 -15.806 1.00 40.31 C ATOM 759 CG2 VAL A 346 11.525 -1.060 -15.576 1.00 44.52 C ATOM 0 H VAL A 346 8.523 -3.753 -16.759 1.00 34.30 H new ATOM 0 HA VAL A 346 8.852 -0.945 -15.928 1.00 20.22 H new ATOM 0 HB VAL A 346 10.173 -2.238 -14.417 1.00 22.53 H new ATOM 0 HG11 VAL A 346 11.927 -3.782 -15.169 1.00 40.31 H new ATOM 0 HG12 VAL A 346 10.306 -4.342 -15.642 1.00 40.31 H new ATOM 0 HG13 VAL A 346 11.376 -3.594 -16.851 1.00 40.31 H new ATOM 0 HG21 VAL A 346 12.386 -1.294 -14.950 1.00 44.52 H new ATOM 0 HG22 VAL A 346 11.845 -0.966 -16.614 1.00 44.52 H new ATOM 0 HG23 VAL A 346 11.082 -0.120 -15.247 1.00 44.52 H new ATOM 769 N ILE A 347 9.637 -0.445 -18.243 1.00 42.12 N ATOM 770 CA ILE A 347 10.061 -0.114 -19.569 1.00 60.23 C ATOM 771 C ILE A 347 11.386 0.582 -19.373 1.00 63.13 C ATOM 772 O ILE A 347 11.447 1.643 -18.747 1.00 53.02 O ATOM 773 CB ILE A 347 9.115 0.859 -20.261 1.00 15.40 C ATOM 774 CG1 ILE A 347 7.644 0.436 -20.073 1.00 12.44 C ATOM 775 CG2 ILE A 347 9.488 0.955 -21.749 1.00 1.03 C ATOM 776 CD1 ILE A 347 6.857 1.393 -19.198 1.00 60.32 C ATOM 0 H ILE A 347 9.307 0.352 -17.700 1.00 42.12 H new ATOM 0 HA ILE A 347 10.102 -1.009 -20.190 1.00 60.23 H new ATOM 0 HB ILE A 347 9.219 1.844 -19.807 1.00 15.40 H new ATOM 0 HG12 ILE A 347 7.164 0.368 -21.049 1.00 12.44 H new ATOM 0 HG13 ILE A 347 7.612 -0.560 -19.632 1.00 12.44 H new ATOM 0 HG21 ILE A 347 8.814 1.650 -22.249 1.00 1.03 H new ATOM 0 HG22 ILE A 347 10.514 1.312 -21.845 1.00 1.03 H new ATOM 0 HG23 ILE A 347 9.402 -0.029 -22.210 1.00 1.03 H new ATOM 0 HD11 ILE A 347 5.830 1.040 -19.105 1.00 60.32 H new ATOM 0 HD12 ILE A 347 7.315 1.443 -18.210 1.00 60.32 H new ATOM 0 HD13 ILE A 347 6.860 2.385 -19.650 1.00 60.32 H new ATOM 788 N PRO A 348 12.466 -0.001 -19.862 1.00 41.14 N ATOM 789 CA PRO A 348 13.768 0.594 -19.683 1.00 43.13 C ATOM 790 C PRO A 348 14.058 1.699 -20.653 1.00 35.30 C ATOM 791 O PRO A 348 13.567 1.710 -21.792 1.00 25.30 O ATOM 792 CB PRO A 348 14.748 -0.568 -19.881 1.00 53.14 C ATOM 793 CG PRO A 348 14.022 -1.534 -20.818 1.00 51.43 C ATOM 794 CD PRO A 348 12.521 -1.274 -20.620 1.00 51.21 C ATOM 0 HA PRO A 348 13.844 1.065 -18.703 1.00 43.13 H new ATOM 0 HB2 PRO A 348 15.686 -0.225 -20.316 1.00 53.14 H new ATOM 0 HB3 PRO A 348 14.993 -1.046 -18.932 1.00 53.14 H new ATOM 0 HG2 PRO A 348 14.313 -1.364 -21.855 1.00 51.43 H new ATOM 0 HG3 PRO A 348 14.273 -2.568 -20.582 1.00 51.43 H new ATOM 0 HD2 PRO A 348 12.002 -1.191 -21.575 1.00 51.21 H new ATOM 0 HD3 PRO A 348 12.046 -2.086 -20.069 1.00 51.21 H new ATOM 802 N LEU A 349 14.866 2.650 -20.200 1.00 53.12 N ATOM 803 CA LEU A 349 15.333 3.724 -21.009 1.00 21.10 C ATOM 804 C LEU A 349 16.777 3.447 -20.994 1.00 60.53 C ATOM 805 O LEU A 349 17.341 3.279 -19.921 1.00 41.33 O ATOM 806 CB LEU A 349 15.095 5.129 -20.387 1.00 23.30 C ATOM 807 CG LEU A 349 13.798 5.826 -20.868 1.00 64.42 C ATOM 808 CD1 LEU A 349 12.579 4.892 -20.910 1.00 32.20 C ATOM 809 CD2 LEU A 349 13.504 7.114 -20.080 1.00 2.21 C ATOM 0 H LEU A 349 15.210 2.680 -19.240 1.00 53.12 H new ATOM 0 HA LEU A 349 14.837 3.763 -21.979 1.00 21.10 H new ATOM 0 HB2 LEU A 349 15.061 5.032 -19.302 1.00 23.30 H new ATOM 0 HB3 LEU A 349 15.946 5.767 -20.624 1.00 23.30 H new ATOM 0 HG LEU A 349 13.989 6.113 -21.902 1.00 64.42 H new ATOM 0 HD11 LEU A 349 11.707 5.447 -21.256 1.00 32.20 H new ATOM 0 HD12 LEU A 349 12.777 4.066 -21.593 1.00 32.20 H new ATOM 0 HD13 LEU A 349 12.387 4.500 -19.911 1.00 32.20 H new ATOM 0 HD21 LEU A 349 12.585 7.567 -20.453 1.00 2.21 H new ATOM 0 HD22 LEU A 349 13.388 6.875 -19.023 1.00 2.21 H new ATOM 0 HD23 LEU A 349 14.330 7.814 -20.205 1.00 2.21 H new ATOM 821 N TYR A 350 17.434 3.396 -22.139 1.00 0.44 N ATOM 822 CA TYR A 350 18.808 2.983 -22.129 1.00 72.32 C ATOM 823 C TYR A 350 19.654 4.195 -21.992 1.00 45.21 C ATOM 824 O TYR A 350 19.899 4.934 -22.952 1.00 60.21 O ATOM 825 CB TYR A 350 19.204 2.199 -23.401 1.00 4.41 C ATOM 826 CG TYR A 350 18.316 0.999 -23.629 1.00 12.51 C ATOM 827 CD1 TYR A 350 18.256 -0.015 -22.691 1.00 71.23 C ATOM 828 CD2 TYR A 350 17.532 0.899 -24.756 1.00 43.54 C ATOM 829 CE1 TYR A 350 17.436 -1.095 -22.877 1.00 4.31 C ATOM 830 CE2 TYR A 350 16.712 -0.189 -24.941 1.00 43.21 C ATOM 831 CZ TYR A 350 16.664 -1.183 -24.000 1.00 41.13 C ATOM 832 OH TYR A 350 15.821 -2.296 -24.190 1.00 34.11 O ATOM 0 H TYR A 350 17.047 3.628 -23.054 1.00 0.44 H new ATOM 0 HA TYR A 350 18.958 2.304 -21.290 1.00 72.32 H new ATOM 0 HB2 TYR A 350 19.148 2.860 -24.266 1.00 4.41 H new ATOM 0 HB3 TYR A 350 20.240 1.872 -23.317 1.00 4.41 H new ATOM 0 HD1 TYR A 350 18.864 0.046 -21.800 1.00 71.23 H new ATOM 0 HD2 TYR A 350 17.561 1.681 -25.500 1.00 43.54 H new ATOM 0 HE1 TYR A 350 17.399 -1.879 -22.135 1.00 4.31 H new ATOM 0 HE2 TYR A 350 16.104 -0.260 -25.831 1.00 43.21 H new ATOM 0 HH TYR A 350 15.341 -2.201 -25.039 1.00 34.11 H new ATOM 842 N ASN A 351 20.069 4.440 -20.753 1.00 24.45 N ATOM 843 CA ASN A 351 20.957 5.502 -20.408 1.00 20.31 C ATOM 844 C ASN A 351 21.523 5.042 -19.105 1.00 73.13 C ATOM 845 O ASN A 351 21.048 4.048 -18.561 1.00 32.42 O ATOM 846 CB ASN A 351 20.282 6.930 -20.273 1.00 63.41 C ATOM 847 CG ASN A 351 19.646 7.246 -18.905 1.00 2.31 C ATOM 848 OD1 ASN A 351 20.342 7.620 -17.969 1.00 43.02 O ATOM 849 ND2 ASN A 351 18.311 7.108 -18.795 1.00 13.00 N ATOM 0 H ASN A 351 19.778 3.879 -19.952 1.00 24.45 H new ATOM 0 HA ASN A 351 21.693 5.669 -21.195 1.00 20.31 H new ATOM 0 HB2 ASN A 351 21.035 7.688 -20.486 1.00 63.41 H new ATOM 0 HB3 ASN A 351 19.513 7.021 -21.040 1.00 63.41 H new ATOM 0 HD21 ASN A 351 17.848 7.317 -17.911 1.00 13.00 H new ATOM 0 HD22 ASN A 351 17.763 6.794 -19.596 1.00 13.00 H new ATOM 856 N SER A 352 22.516 5.724 -18.558 1.00 51.13 N ATOM 857 CA SER A 352 23.095 5.272 -17.304 1.00 4.42 C ATOM 858 C SER A 352 22.247 5.842 -16.132 1.00 21.35 C ATOM 859 O SER A 352 21.289 5.138 -15.684 1.00 0.00 O ATOM 860 CB SER A 352 24.562 5.721 -17.135 1.00 40.32 C ATOM 861 OG SER A 352 25.284 5.499 -18.359 1.00 71.31 O ATOM 862 OXT SER A 352 22.555 6.979 -15.657 1.00 0.00 O ATOM 0 H SER A 352 22.929 6.570 -18.950 1.00 51.13 H new ATOM 0 HA SER A 352 23.087 4.182 -17.304 1.00 4.42 H new ATOM 0 HB2 SER A 352 24.600 6.777 -16.866 1.00 40.32 H new ATOM 0 HB3 SER A 352 25.030 5.168 -16.321 1.00 40.32 H new ATOM 0 HG SER A 352 26.214 5.787 -18.247 1.00 71.31 H new TER 868 SER A 352 HETATM 869 ZN ZN A 500 19.253 3.927 -9.083 1.00 0.00 ZN HETATM 870 ZN ZN A 501 3.715 5.862 -9.881 1.00 0.00 ZN