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 297 SER OG : rot -160:sc= 0.492 USER MOD Set 1.2: A 300 SER OG : rot 153:sc= 0.0977 USER MOD Single : A 299 LYS NZ :NH3+ -151:sc= -0.0903 (180deg=-1.31) USER MOD Single : A 307 SER OG : rot 180:sc= -0.0945 USER MOD Single : A 308 SER OG : rot 155:sc= 0.531 USER MOD Single : A 310 LYS NZ :NH3+ -118:sc= -0.769 (180deg=-3.57!) USER MOD Single : A 311 SER OG : rot -124:sc= 0.787 USER MOD Single : A 312 CYS SG : rot 21:sc= 0.0858 USER MOD Single : A 321 CYS SG : rot 90:sc= -0.917 USER MOD Single : A 322 SER OG : rot 180:sc= 0.125 USER MOD Single : A 324 THR OG1 : rot 81:sc= 0.129 USER MOD Single : A 327 TYR OH : rot 180:sc= 0 USER MOD Single : A 334 LYS NZ :NH3+ -170:sc= 0.753 (180deg=0.736) USER MOD Single : A 335 LYS NZ :NH3+ 136:sc= 0.202 (180deg=-1.33!) USER MOD Single : A 341 GLN : amide:sc= -1.88 K(o=-1.9,f=-9!) 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= 0.745 K(o=0.74,f=-5.1!) USER MOD Single : A 352 SER OG : rot 180:sc= 0.00286 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 296 8.240 10.519 -12.963 1.00 13.00 N ATOM 2 CA GLY A 296 8.570 11.757 -12.228 1.00 45.03 C ATOM 3 C GLY A 296 8.887 12.838 -13.206 1.00 73.23 C ATOM 4 O GLY A 296 8.245 13.890 -13.226 1.00 42.04 O ATOM 0 HA2 GLY A 296 7.732 12.054 -11.598 1.00 45.03 H new ATOM 0 HA3 GLY A 296 9.420 11.587 -11.568 1.00 45.03 H new ATOM 10 N SER A 297 9.862 12.585 -14.082 1.00 4.31 N ATOM 11 CA SER A 297 10.277 13.581 -15.025 1.00 51.25 C ATOM 12 C SER A 297 11.000 12.836 -16.095 1.00 12.22 C ATOM 13 O SER A 297 11.252 11.642 -15.964 1.00 23.54 O ATOM 14 CB SER A 297 11.232 14.664 -14.422 1.00 64.21 C ATOM 15 OG SER A 297 11.602 14.334 -13.064 1.00 32.31 O ATOM 0 H SER A 297 10.365 11.700 -14.144 1.00 4.31 H new ATOM 0 HA SER A 297 9.402 14.127 -15.379 1.00 51.25 H new ATOM 0 HB2 SER A 297 12.128 14.746 -15.037 1.00 64.21 H new ATOM 0 HB3 SER A 297 10.742 15.637 -14.442 1.00 64.21 H new ATOM 0 HG SER A 297 11.919 15.140 -12.606 1.00 32.31 H new ATOM 21 N LEU A 298 11.325 13.517 -17.194 1.00 35.12 N ATOM 22 CA LEU A 298 12.034 12.887 -18.272 1.00 5.41 C ATOM 23 C LEU A 298 13.501 13.005 -17.990 1.00 43.22 C ATOM 24 O LEU A 298 14.073 14.089 -18.131 1.00 4.21 O ATOM 25 CB LEU A 298 11.746 13.524 -19.649 1.00 35.24 C ATOM 26 CG LEU A 298 10.340 13.177 -20.184 1.00 1.43 C ATOM 27 CD1 LEU A 298 9.822 14.212 -21.187 1.00 72.15 C ATOM 28 CD2 LEU A 298 10.261 11.747 -20.746 1.00 74.34 C ATOM 0 H LEU A 298 11.103 14.501 -17.347 1.00 35.12 H new ATOM 0 HA LEU A 298 11.701 11.850 -18.325 1.00 5.41 H new ATOM 0 HB2 LEU A 298 11.844 14.607 -19.571 1.00 35.24 H new ATOM 0 HB3 LEU A 298 12.496 13.187 -20.365 1.00 35.24 H new ATOM 0 HG LEU A 298 9.673 13.214 -19.322 1.00 1.43 H new ATOM 0 HD11 LEU A 298 8.830 13.920 -21.532 1.00 72.15 H new ATOM 0 HD12 LEU A 298 9.766 15.189 -20.706 1.00 72.15 H new ATOM 0 HD13 LEU A 298 10.501 14.265 -22.038 1.00 72.15 H new ATOM 0 HD21 LEU A 298 9.251 11.554 -21.109 1.00 74.34 H new ATOM 0 HD22 LEU A 298 10.969 11.639 -21.568 1.00 74.34 H new ATOM 0 HD23 LEU A 298 10.507 11.033 -19.960 1.00 74.34 H new ATOM 40 N LYS A 299 14.119 11.889 -17.526 1.00 1.14 N ATOM 41 CA LYS A 299 15.573 11.794 -17.333 1.00 73.23 C ATOM 42 C LYS A 299 16.042 12.776 -16.278 1.00 2.00 C ATOM 43 O LYS A 299 16.444 13.899 -16.586 1.00 0.43 O ATOM 44 CB LYS A 299 16.406 12.034 -18.625 1.00 45.11 C ATOM 45 CG LYS A 299 16.076 11.063 -19.771 1.00 52.34 C ATOM 46 CD LYS A 299 16.692 9.664 -19.590 1.00 21.21 C ATOM 47 CE LYS A 299 17.142 9.003 -20.906 1.00 23.50 C ATOM 48 NZ LYS A 299 16.205 9.320 -22.012 1.00 54.31 N ATOM 0 H LYS A 299 13.617 11.036 -17.278 1.00 1.14 H new ATOM 0 HA LYS A 299 15.744 10.765 -17.018 1.00 73.23 H new ATOM 0 HB2 LYS A 299 16.239 13.055 -18.968 1.00 45.11 H new ATOM 0 HB3 LYS A 299 17.465 11.948 -18.383 1.00 45.11 H new ATOM 0 HG2 LYS A 299 14.993 10.966 -19.854 1.00 52.34 H new ATOM 0 HG3 LYS A 299 16.431 11.488 -20.710 1.00 52.34 H new ATOM 0 HD2 LYS A 299 17.550 9.740 -18.921 1.00 21.21 H new ATOM 0 HD3 LYS A 299 15.963 9.018 -19.101 1.00 21.21 H new ATOM 0 HE2 LYS A 299 18.144 9.346 -21.165 1.00 23.50 H new ATOM 0 HE3 LYS A 299 17.200 7.923 -20.773 1.00 23.50 H new ATOM 0 HZ1 LYS A 299 16.208 8.543 -22.703 1.00 54.31 H new ATOM 0 HZ2 LYS A 299 15.245 9.440 -21.630 1.00 54.31 H new ATOM 0 HZ3 LYS A 299 16.504 10.199 -22.479 1.00 54.31 H new ATOM 62 N SER A 300 16.015 12.356 -15.019 1.00 3.12 N ATOM 63 CA SER A 300 16.505 13.172 -13.940 1.00 12.04 C ATOM 64 C SER A 300 17.226 12.220 -13.044 1.00 55.23 C ATOM 65 O SER A 300 17.555 11.109 -13.464 1.00 3.53 O ATOM 66 CB SER A 300 15.386 13.880 -13.134 1.00 32.21 C ATOM 67 OG SER A 300 14.386 14.382 -14.017 1.00 2.40 O ATOM 0 H SER A 300 15.654 11.447 -14.730 1.00 3.12 H new ATOM 0 HA SER A 300 17.127 13.974 -14.337 1.00 12.04 H new ATOM 0 HB2 SER A 300 14.939 13.181 -12.427 1.00 32.21 H new ATOM 0 HB3 SER A 300 15.810 14.697 -12.550 1.00 32.21 H new ATOM 0 HG SER A 300 13.528 14.431 -13.546 1.00 2.40 H new ATOM 73 N ALA A 301 17.486 12.614 -11.786 1.00 41.01 N ATOM 74 CA ALA A 301 18.196 11.747 -10.869 1.00 13.55 C ATOM 75 C ALA A 301 17.294 10.605 -10.467 1.00 40.31 C ATOM 76 O ALA A 301 16.123 10.804 -10.131 1.00 4.35 O ATOM 77 CB ALA A 301 18.648 12.465 -9.580 1.00 62.14 C ATOM 0 H ALA A 301 17.214 13.517 -11.397 1.00 41.01 H new ATOM 0 HA ALA A 301 19.087 11.402 -11.394 1.00 13.55 H new ATOM 0 HB1 ALA A 301 19.174 11.760 -8.936 1.00 62.14 H new ATOM 0 HB2 ALA A 301 19.314 13.288 -9.837 1.00 62.14 H new ATOM 0 HB3 ALA A 301 17.776 12.854 -9.055 1.00 62.14 H new ATOM 83 N CYS A 302 17.840 9.347 -10.552 1.00 65.22 N ATOM 84 CA CYS A 302 17.155 8.125 -10.079 1.00 52.23 C ATOM 85 C CYS A 302 16.841 8.369 -8.630 1.00 22.22 C ATOM 86 O CYS A 302 17.749 8.409 -7.829 1.00 13.50 O ATOM 87 CB CYS A 302 18.095 6.866 -10.201 1.00 40.05 C ATOM 88 SG CYS A 302 17.450 5.273 -9.516 1.00 41.41 S ATOM 0 H CYS A 302 18.762 9.168 -10.950 1.00 65.22 H new ATOM 0 HA CYS A 302 16.263 7.926 -10.673 1.00 52.23 H new ATOM 0 HB2 CYS A 302 18.324 6.714 -11.256 1.00 40.05 H new ATOM 0 HB3 CYS A 302 19.036 7.095 -9.700 1.00 40.05 H new ATOM 93 N VAL A 303 15.533 8.351 -8.278 1.00 60.23 N ATOM 94 CA VAL A 303 15.050 8.856 -6.986 1.00 1.53 C ATOM 95 C VAL A 303 15.502 7.974 -5.842 1.00 55.21 C ATOM 96 O VAL A 303 15.448 8.367 -4.681 1.00 64.33 O ATOM 97 CB VAL A 303 13.534 8.983 -6.943 1.00 31.35 C ATOM 98 CG1 VAL A 303 13.082 9.796 -8.171 1.00 0.51 C ATOM 99 CG2 VAL A 303 12.878 7.582 -6.910 1.00 21.51 C ATOM 0 H VAL A 303 14.795 7.988 -8.881 1.00 60.23 H new ATOM 0 HA VAL A 303 15.484 9.849 -6.873 1.00 1.53 H new ATOM 0 HB VAL A 303 13.220 9.502 -6.038 1.00 31.35 H new ATOM 0 HG11 VAL A 303 11.997 9.899 -8.160 1.00 0.51 H new ATOM 0 HG12 VAL A 303 13.541 10.784 -8.142 1.00 0.51 H new ATOM 0 HG13 VAL A 303 13.388 9.281 -9.081 1.00 0.51 H new ATOM 0 HG21 VAL A 303 11.794 7.689 -6.879 1.00 21.51 H new ATOM 0 HG22 VAL A 303 13.163 7.026 -7.803 1.00 21.51 H new ATOM 0 HG23 VAL A 303 13.215 7.043 -6.024 1.00 21.51 H new ATOM 109 N VAL A 304 15.953 6.762 -6.156 1.00 52.44 N ATOM 110 CA VAL A 304 16.353 5.851 -5.125 1.00 52.14 C ATOM 111 C VAL A 304 17.829 6.048 -4.820 1.00 61.13 C ATOM 112 O VAL A 304 18.204 6.151 -3.670 1.00 1.01 O ATOM 113 CB VAL A 304 16.099 4.382 -5.485 1.00 44.11 C ATOM 114 CG1 VAL A 304 15.585 3.664 -4.226 1.00 12.12 C ATOM 115 CG2 VAL A 304 15.067 4.305 -6.639 1.00 53.52 C ATOM 0 H VAL A 304 16.044 6.405 -7.107 1.00 52.44 H new ATOM 0 HA VAL A 304 15.742 6.074 -4.250 1.00 52.14 H new ATOM 0 HB VAL A 304 17.015 3.898 -5.824 1.00 44.11 H new ATOM 0 HG11 VAL A 304 15.396 2.615 -4.457 1.00 12.12 H new ATOM 0 HG12 VAL A 304 16.333 3.733 -3.437 1.00 12.12 H new ATOM 0 HG13 VAL A 304 14.660 4.134 -3.891 1.00 12.12 H new ATOM 0 HG21 VAL A 304 14.886 3.261 -6.896 1.00 53.52 H new ATOM 0 HG22 VAL A 304 14.133 4.769 -6.323 1.00 53.52 H new ATOM 0 HG23 VAL A 304 15.456 4.831 -7.511 1.00 53.52 H new ATOM 125 N CYS A 305 18.704 6.130 -5.859 1.00 63.32 N ATOM 126 CA CYS A 305 20.149 6.187 -5.578 1.00 41.05 C ATOM 127 C CYS A 305 20.618 7.626 -5.512 1.00 43.21 C ATOM 128 O CYS A 305 21.365 7.985 -4.626 1.00 62.24 O ATOM 129 CB CYS A 305 21.038 5.345 -6.564 1.00 12.01 C ATOM 130 SG CYS A 305 20.821 5.750 -8.339 1.00 4.10 S ATOM 0 H CYS A 305 18.445 6.157 -6.845 1.00 63.32 H new ATOM 0 HA CYS A 305 20.282 5.715 -4.605 1.00 41.05 H new ATOM 0 HB2 CYS A 305 22.085 5.490 -6.299 1.00 12.01 H new ATOM 0 HB3 CYS A 305 20.815 4.288 -6.418 1.00 12.01 H new ATOM 135 N LEU A 306 20.203 8.457 -6.519 1.00 53.52 N ATOM 136 CA LEU A 306 20.520 9.900 -6.582 1.00 3.23 C ATOM 137 C LEU A 306 21.933 10.040 -7.091 1.00 5.21 C ATOM 138 O LEU A 306 22.640 10.987 -6.761 1.00 41.44 O ATOM 139 CB LEU A 306 20.381 10.721 -5.247 1.00 40.53 C ATOM 140 CG LEU A 306 18.933 10.847 -4.696 1.00 54.35 C ATOM 141 CD1 LEU A 306 17.904 11.252 -5.761 1.00 61.24 C ATOM 142 CD2 LEU A 306 18.483 9.617 -3.895 1.00 13.34 C ATOM 0 H LEU A 306 19.639 8.133 -7.305 1.00 53.52 H new ATOM 0 HA LEU A 306 19.765 10.330 -7.241 1.00 3.23 H new ATOM 0 HB2 LEU A 306 21.003 10.253 -4.485 1.00 40.53 H new ATOM 0 HB3 LEU A 306 20.778 11.722 -5.412 1.00 40.53 H new ATOM 0 HG LEU A 306 18.976 11.676 -3.990 1.00 54.35 H new ATOM 0 HD11 LEU A 306 16.916 11.321 -5.305 1.00 61.24 H new ATOM 0 HD12 LEU A 306 18.177 12.220 -6.182 1.00 61.24 H new ATOM 0 HD13 LEU A 306 17.887 10.504 -6.553 1.00 61.24 H new ATOM 0 HD21 LEU A 306 17.464 9.768 -3.538 1.00 13.34 H new ATOM 0 HD22 LEU A 306 18.517 8.734 -4.534 1.00 13.34 H new ATOM 0 HD23 LEU A 306 19.148 9.474 -3.043 1.00 13.34 H new ATOM 154 N SER A 307 22.377 9.060 -7.884 1.00 32.34 N ATOM 155 CA SER A 307 23.708 9.085 -8.448 1.00 55.11 C ATOM 156 C SER A 307 23.550 8.895 -9.932 1.00 41.01 C ATOM 157 O SER A 307 24.016 9.691 -10.731 1.00 35.33 O ATOM 158 CB SER A 307 24.613 7.957 -7.887 1.00 0.31 C ATOM 159 OG SER A 307 23.829 7.045 -7.098 1.00 34.14 O ATOM 0 H SER A 307 21.824 8.243 -8.144 1.00 32.34 H new ATOM 0 HA SER A 307 24.188 10.030 -8.193 1.00 55.11 H new ATOM 0 HB2 SER A 307 25.092 7.422 -8.707 1.00 0.31 H new ATOM 0 HB3 SER A 307 25.409 8.386 -7.278 1.00 0.31 H new ATOM 0 HG SER A 307 24.407 6.335 -6.749 1.00 34.14 H new ATOM 165 N SER A 308 22.839 7.819 -10.323 1.00 61.13 N ATOM 166 CA SER A 308 22.642 7.533 -11.725 1.00 35.51 C ATOM 167 C SER A 308 21.339 8.156 -12.092 1.00 24.53 C ATOM 168 O SER A 308 20.462 8.351 -11.219 1.00 72.34 O ATOM 169 CB SER A 308 22.569 6.017 -12.059 1.00 4.12 C ATOM 170 OG SER A 308 21.862 5.306 -11.035 1.00 60.11 O ATOM 0 H SER A 308 22.404 7.153 -9.685 1.00 61.13 H new ATOM 0 HA SER A 308 23.496 7.924 -12.279 1.00 35.51 H new ATOM 0 HB2 SER A 308 22.071 5.874 -13.018 1.00 4.12 H new ATOM 0 HB3 SER A 308 23.576 5.613 -12.160 1.00 4.12 H new ATOM 0 HG SER A 308 21.481 4.485 -11.410 1.00 60.11 H new ATOM 176 N PHE A 309 21.146 8.426 -13.388 1.00 52.35 N ATOM 177 CA PHE A 309 19.915 9.015 -13.862 1.00 15.31 C ATOM 178 C PHE A 309 18.860 7.947 -13.814 1.00 53.04 C ATOM 179 O PHE A 309 19.157 6.754 -13.653 1.00 11.05 O ATOM 180 CB PHE A 309 20.006 9.506 -15.338 1.00 5.01 C ATOM 181 CG PHE A 309 20.597 10.882 -15.507 1.00 44.54 C ATOM 182 CD1 PHE A 309 19.849 11.904 -16.059 1.00 3.12 C ATOM 183 CD2 PHE A 309 21.898 11.150 -15.120 1.00 33.21 C ATOM 184 CE1 PHE A 309 20.386 13.155 -16.218 1.00 54.11 C ATOM 185 CE2 PHE A 309 22.427 12.405 -15.281 1.00 40.42 C ATOM 186 CZ PHE A 309 21.673 13.404 -15.827 1.00 60.35 C ATOM 0 H PHE A 309 21.834 8.241 -14.118 1.00 52.35 H new ATOM 0 HA PHE A 309 19.692 9.876 -13.233 1.00 15.31 H new ATOM 0 HB2 PHE A 309 20.605 8.795 -15.907 1.00 5.01 H new ATOM 0 HB3 PHE A 309 19.006 9.499 -15.772 1.00 5.01 H new ATOM 0 HD1 PHE A 309 18.832 11.715 -16.368 1.00 3.12 H new ATOM 0 HD2 PHE A 309 22.501 10.365 -14.688 1.00 33.21 H new ATOM 0 HE1 PHE A 309 19.792 13.945 -16.653 1.00 54.11 H new ATOM 0 HE2 PHE A 309 23.443 12.604 -14.975 1.00 40.42 H new ATOM 0 HZ PHE A 309 22.093 14.391 -15.950 1.00 60.35 H new ATOM 196 N LYS A 310 17.589 8.365 -13.831 1.00 32.30 N ATOM 197 CA LYS A 310 16.500 7.430 -13.894 1.00 34.31 C ATOM 198 C LYS A 310 16.392 7.004 -15.316 1.00 32.34 C ATOM 199 O LYS A 310 16.336 7.831 -16.227 1.00 3.50 O ATOM 200 CB LYS A 310 15.146 8.010 -13.459 1.00 2.30 C ATOM 201 CG LYS A 310 14.978 9.473 -13.823 1.00 31.25 C ATOM 202 CD LYS A 310 13.571 9.827 -14.247 1.00 21.25 C ATOM 203 CE LYS A 310 12.969 10.983 -13.448 1.00 52.41 C ATOM 204 NZ LYS A 310 13.106 10.740 -11.993 1.00 3.02 N ATOM 0 H LYS A 310 17.307 9.345 -13.802 1.00 32.30 H new ATOM 0 HA LYS A 310 16.716 6.615 -13.204 1.00 34.31 H new ATOM 0 HB2 LYS A 310 14.345 7.433 -13.922 1.00 2.30 H new ATOM 0 HB3 LYS A 310 15.039 7.896 -12.380 1.00 2.30 H new ATOM 0 HG2 LYS A 310 15.257 10.087 -12.967 1.00 31.25 H new ATOM 0 HG3 LYS A 310 15.666 9.720 -14.631 1.00 31.25 H new ATOM 0 HD2 LYS A 310 13.573 10.089 -15.305 1.00 21.25 H new ATOM 0 HD3 LYS A 310 12.935 8.949 -14.137 1.00 21.25 H new ATOM 0 HE2 LYS A 310 13.468 11.915 -13.715 1.00 52.41 H new ATOM 0 HE3 LYS A 310 11.916 11.100 -13.705 1.00 52.41 H new ATOM 0 HZ1 LYS A 310 12.162 10.681 -11.561 1.00 3.02 H new ATOM 0 HZ2 LYS A 310 13.615 9.847 -11.837 1.00 3.02 H new ATOM 0 HZ3 LYS A 310 13.637 11.522 -11.559 1.00 3.02 H new ATOM 218 N SER A 311 16.373 5.704 -15.518 1.00 11.14 N ATOM 219 CA SER A 311 16.366 5.151 -16.818 1.00 22.54 C ATOM 220 C SER A 311 15.339 4.039 -16.820 1.00 32.23 C ATOM 221 O SER A 311 15.519 3.018 -17.462 1.00 4.30 O ATOM 222 CB SER A 311 17.767 4.565 -17.194 1.00 2.43 C ATOM 223 OG SER A 311 18.603 4.458 -16.012 1.00 54.22 O ATOM 0 H SER A 311 16.362 5.013 -14.768 1.00 11.14 H new ATOM 0 HA SER A 311 16.127 5.924 -17.549 1.00 22.54 H new ATOM 0 HB2 SER A 311 17.647 3.584 -17.653 1.00 2.43 H new ATOM 0 HB3 SER A 311 18.250 5.205 -17.932 1.00 2.43 H new ATOM 0 HG SER A 311 19.437 4.953 -16.155 1.00 54.22 H new ATOM 229 N CYS A 312 14.232 4.218 -16.092 1.00 60.44 N ATOM 230 CA CYS A 312 13.236 3.172 -16.045 1.00 23.43 C ATOM 231 C CYS A 312 11.932 3.808 -15.760 1.00 41.45 C ATOM 232 O CYS A 312 11.765 4.524 -14.740 1.00 72.14 O ATOM 233 CB CYS A 312 13.468 2.094 -14.953 1.00 35.42 C ATOM 234 SG CYS A 312 14.657 0.812 -15.454 1.00 32.40 S ATOM 0 H CYS A 312 14.017 5.053 -15.547 1.00 60.44 H new ATOM 0 HA CYS A 312 13.284 2.661 -17.006 1.00 23.43 H new ATOM 0 HB2 CYS A 312 13.826 2.578 -14.044 1.00 35.42 H new ATOM 0 HB3 CYS A 312 12.516 1.622 -14.709 1.00 35.42 H new ATOM 0 HG CYS A 312 15.397 1.262 -16.424 1.00 32.40 H new ATOM 240 N VAL A 313 10.971 3.553 -16.664 1.00 23.14 N ATOM 241 CA VAL A 313 9.628 3.988 -16.501 1.00 42.01 C ATOM 242 C VAL A 313 8.943 2.800 -15.926 1.00 22.21 C ATOM 243 O VAL A 313 9.073 1.694 -16.446 1.00 72.23 O ATOM 244 CB VAL A 313 8.933 4.335 -17.813 1.00 21.50 C ATOM 245 CG1 VAL A 313 7.668 5.158 -17.518 1.00 43.32 C ATOM 246 CG2 VAL A 313 9.921 5.068 -18.740 1.00 23.42 C ATOM 0 H VAL A 313 11.135 3.033 -17.526 1.00 23.14 H new ATOM 0 HA VAL A 313 9.599 4.893 -15.894 1.00 42.01 H new ATOM 0 HB VAL A 313 8.616 3.431 -18.333 1.00 21.50 H new ATOM 0 HG11 VAL A 313 7.169 5.407 -18.455 1.00 43.32 H new ATOM 0 HG12 VAL A 313 6.993 4.575 -16.891 1.00 43.32 H new ATOM 0 HG13 VAL A 313 7.944 6.076 -16.998 1.00 43.32 H new ATOM 0 HG21 VAL A 313 9.424 5.316 -19.678 1.00 23.42 H new ATOM 0 HG22 VAL A 313 10.262 5.984 -18.257 1.00 23.42 H new ATOM 0 HG23 VAL A 313 10.777 4.424 -18.942 1.00 23.42 H new ATOM 256 N PHE A 314 8.223 2.983 -14.843 1.00 53.34 N ATOM 257 CA PHE A 314 7.548 1.883 -14.237 1.00 71.45 C ATOM 258 C PHE A 314 6.187 1.850 -14.822 1.00 24.23 C ATOM 259 O PHE A 314 5.381 2.818 -14.659 1.00 41.12 O ATOM 260 CB PHE A 314 7.451 1.995 -12.706 1.00 11.23 C ATOM 261 CG PHE A 314 8.752 1.693 -11.988 1.00 73.15 C ATOM 262 CD1 PHE A 314 9.106 2.390 -10.849 1.00 13.03 C ATOM 263 CD2 PHE A 314 9.618 0.704 -12.453 1.00 54.02 C ATOM 264 CE1 PHE A 314 10.281 2.103 -10.194 1.00 25.54 C ATOM 265 CE2 PHE A 314 10.786 0.432 -11.795 1.00 54.21 C ATOM 266 CZ PHE A 314 11.117 1.127 -10.669 1.00 0.53 C ATOM 0 H PHE A 314 8.096 3.880 -14.374 1.00 53.34 H new ATOM 0 HA PHE A 314 8.112 0.971 -14.432 1.00 71.45 H new ATOM 0 HB2 PHE A 314 7.127 3.002 -12.444 1.00 11.23 H new ATOM 0 HB3 PHE A 314 6.682 1.310 -12.349 1.00 11.23 H new ATOM 0 HD1 PHE A 314 8.456 3.165 -10.470 1.00 13.03 H new ATOM 0 HD2 PHE A 314 9.364 0.147 -13.342 1.00 54.02 H new ATOM 0 HE1 PHE A 314 10.546 2.650 -9.301 1.00 25.54 H new ATOM 0 HE2 PHE A 314 11.448 -0.335 -12.168 1.00 54.21 H new ATOM 0 HZ PHE A 314 12.039 0.908 -10.151 1.00 0.53 H new ATOM 276 N LEU A 315 5.867 0.729 -15.522 1.00 41.41 N ATOM 277 CA LEU A 315 4.596 0.607 -16.154 1.00 40.44 C ATOM 278 C LEU A 315 3.660 0.242 -15.069 1.00 63.54 C ATOM 279 O LEU A 315 3.641 -0.887 -14.565 1.00 3.15 O ATOM 280 CB LEU A 315 4.600 -0.567 -17.170 1.00 75.44 C ATOM 281 CG LEU A 315 3.677 -0.394 -18.378 1.00 13.32 C ATOM 282 CD1 LEU A 315 4.156 -1.241 -19.567 1.00 22.15 C ATOM 283 CD2 LEU A 315 2.201 -0.677 -18.037 1.00 54.14 C ATOM 0 H LEU A 315 6.485 -0.073 -15.642 1.00 41.41 H new ATOM 0 HA LEU A 315 4.334 1.526 -16.678 1.00 40.44 H new ATOM 0 HB2 LEU A 315 5.619 -0.710 -17.530 1.00 75.44 H new ATOM 0 HB3 LEU A 315 4.317 -1.480 -16.646 1.00 75.44 H new ATOM 0 HG LEU A 315 3.730 0.655 -18.671 1.00 13.32 H new ATOM 0 HD11 LEU A 315 3.481 -1.098 -20.411 1.00 22.15 H new ATOM 0 HD12 LEU A 315 5.162 -0.933 -19.851 1.00 22.15 H new ATOM 0 HD13 LEU A 315 4.165 -2.294 -19.284 1.00 22.15 H new ATOM 0 HD21 LEU A 315 1.589 -0.540 -18.928 1.00 54.14 H new ATOM 0 HD22 LEU A 315 2.100 -1.702 -17.681 1.00 54.14 H new ATOM 0 HD23 LEU A 315 1.869 0.011 -17.260 1.00 54.14 H new ATOM 295 N GLU A 316 3.019 1.240 -14.569 1.00 75.43 N ATOM 296 CA GLU A 316 1.915 1.108 -13.734 1.00 15.30 C ATOM 297 C GLU A 316 1.069 2.251 -14.128 1.00 13.31 C ATOM 298 O GLU A 316 0.004 2.159 -14.677 1.00 42.02 O ATOM 299 CB GLU A 316 2.241 1.131 -12.227 1.00 32.43 C ATOM 300 CG GLU A 316 3.761 1.173 -11.928 1.00 3.53 C ATOM 301 CD GLU A 316 3.973 1.608 -10.508 1.00 41.11 C ATOM 302 OE1 GLU A 316 4.736 0.970 -9.804 1.00 20.13 O ATOM 303 OE2 GLU A 316 3.424 2.683 -10.126 1.00 71.34 O ATOM 0 H GLU A 316 3.276 2.210 -14.750 1.00 75.43 H new ATOM 0 HA GLU A 316 1.440 0.135 -13.855 1.00 15.30 H new ATOM 0 HB2 GLU A 316 1.764 2.000 -11.773 1.00 32.43 H new ATOM 0 HB3 GLU A 316 1.810 0.248 -11.756 1.00 32.43 H new ATOM 0 HG2 GLU A 316 4.203 0.190 -12.089 1.00 3.53 H new ATOM 0 HG3 GLU A 316 4.259 1.862 -12.610 1.00 3.53 H new ATOM 310 N CYS A 317 1.714 3.402 -13.862 1.00 53.42 N ATOM 311 CA CYS A 317 1.159 4.730 -13.915 1.00 43.05 C ATOM 312 C CYS A 317 2.004 5.564 -14.887 1.00 2.30 C ATOM 313 O CYS A 317 1.674 6.720 -15.155 1.00 52.42 O ATOM 314 CB CYS A 317 1.356 5.380 -12.515 1.00 31.35 C ATOM 315 SG CYS A 317 3.027 4.859 -11.906 1.00 24.30 S ATOM 0 H CYS A 317 2.697 3.409 -13.589 1.00 53.42 H new ATOM 0 HA CYS A 317 0.111 4.691 -14.214 1.00 43.05 H new ATOM 0 HB2 CYS A 317 1.291 6.466 -12.581 1.00 31.35 H new ATOM 0 HB3 CYS A 317 0.576 5.056 -11.826 1.00 31.35 H new ATOM 320 N GLY A 318 3.169 5.022 -15.395 1.00 52.45 N ATOM 321 CA GLY A 318 3.999 5.809 -16.313 1.00 33.10 C ATOM 322 C GLY A 318 4.937 6.723 -15.552 1.00 72.43 C ATOM 323 O GLY A 318 5.385 7.733 -16.089 1.00 4.22 O ATOM 0 H GLY A 318 3.520 4.088 -15.182 1.00 52.45 H new ATOM 0 HA2 GLY A 318 4.576 5.140 -16.951 1.00 33.10 H new ATOM 0 HA3 GLY A 318 3.361 6.402 -16.968 1.00 33.10 H new ATOM 327 N HIS A 319 5.266 6.400 -14.274 1.00 34.30 N ATOM 328 CA HIS A 319 6.194 7.246 -13.509 1.00 21.20 C ATOM 329 C HIS A 319 7.577 6.809 -13.923 1.00 62.21 C ATOM 330 O HIS A 319 7.836 5.609 -14.004 1.00 54.24 O ATOM 331 CB HIS A 319 6.079 7.073 -11.955 1.00 11.44 C ATOM 332 CG HIS A 319 5.288 8.168 -11.219 1.00 55.21 C ATOM 333 ND1 HIS A 319 4.424 7.827 -10.165 1.00 71.11 N ATOM 334 CD2 HIS A 319 5.273 9.516 -11.413 1.00 41.04 C ATOM 335 CE1 HIS A 319 3.916 8.969 -9.766 1.00 32.43 C ATOM 336 NE2 HIS A 319 4.396 10.020 -10.481 1.00 24.34 N ATOM 0 H HIS A 319 4.911 5.586 -13.773 1.00 34.30 H new ATOM 0 HA HIS A 319 5.966 8.291 -13.719 1.00 21.20 H new ATOM 0 HB2 HIS A 319 5.610 6.111 -11.749 1.00 11.44 H new ATOM 0 HB3 HIS A 319 7.085 7.034 -11.537 1.00 11.44 H new ATOM 0 HD2 HIS A 319 5.834 10.074 -12.148 1.00 41.04 H new ATOM 0 HE1 HIS A 319 3.200 9.063 -8.963 1.00 32.43 H new ATOM 0 HE2 HIS A 319 4.151 11.002 -10.351 1.00 24.34 H new ATOM 344 N VAL A 320 8.497 7.761 -14.097 1.00 23.20 N ATOM 345 CA VAL A 320 9.855 7.460 -14.511 1.00 11.20 C ATOM 346 C VAL A 320 10.648 7.826 -13.312 1.00 73.52 C ATOM 347 O VAL A 320 10.628 8.977 -12.916 1.00 5.12 O ATOM 348 CB VAL A 320 10.328 8.323 -15.689 1.00 73.32 C ATOM 349 CG1 VAL A 320 11.452 7.589 -16.441 1.00 52.12 C ATOM 350 CG2 VAL A 320 9.118 8.632 -16.602 1.00 42.11 C ATOM 0 H VAL A 320 8.316 8.754 -13.954 1.00 23.20 H new ATOM 0 HA VAL A 320 9.950 6.426 -14.843 1.00 11.20 H new ATOM 0 HB VAL A 320 10.734 9.271 -15.337 1.00 73.32 H new ATOM 0 HG11 VAL A 320 11.789 8.200 -17.278 1.00 52.12 H new ATOM 0 HG12 VAL A 320 12.287 7.410 -15.763 1.00 52.12 H new ATOM 0 HG13 VAL A 320 11.077 6.636 -16.815 1.00 52.12 H new ATOM 0 HG21 VAL A 320 9.444 9.245 -17.442 1.00 42.11 H new ATOM 0 HG22 VAL A 320 8.696 7.699 -16.975 1.00 42.11 H new ATOM 0 HG23 VAL A 320 8.360 9.170 -16.032 1.00 42.11 H new ATOM 360 N CYS A 321 11.324 6.867 -12.637 1.00 65.43 N ATOM 361 CA CYS A 321 11.980 7.291 -11.406 1.00 0.22 C ATOM 362 C CYS A 321 13.159 6.426 -11.050 1.00 51.53 C ATOM 363 O CYS A 321 14.039 6.867 -10.281 1.00 51.33 O ATOM 364 CB CYS A 321 11.009 7.330 -10.188 1.00 24.13 C ATOM 365 SG CYS A 321 9.528 6.271 -10.426 1.00 22.10 S ATOM 0 H CYS A 321 11.420 5.886 -12.900 1.00 65.43 H new ATOM 0 HA CYS A 321 12.329 8.302 -11.615 1.00 0.22 H new ATOM 0 HB2 CYS A 321 11.542 7.006 -9.294 1.00 24.13 H new ATOM 0 HB3 CYS A 321 10.691 8.358 -10.015 1.00 24.13 H new ATOM 0 HG CYS A 321 9.774 5.075 -9.980 1.00 22.10 H new ATOM 371 N SER A 322 13.263 5.195 -11.576 1.00 34.11 N ATOM 372 CA SER A 322 14.337 4.333 -11.132 1.00 22.42 C ATOM 373 C SER A 322 15.297 4.161 -12.242 1.00 62.14 C ATOM 374 O SER A 322 15.127 4.685 -13.297 1.00 5.32 O ATOM 375 CB SER A 322 13.905 2.943 -10.609 1.00 51.01 C ATOM 376 OG SER A 322 14.901 2.439 -9.685 1.00 44.43 O ATOM 0 H SER A 322 12.639 4.799 -12.279 1.00 34.11 H new ATOM 0 HA SER A 322 14.781 4.834 -10.272 1.00 22.42 H new ATOM 0 HB2 SER A 322 12.937 3.015 -10.112 1.00 51.01 H new ATOM 0 HB3 SER A 322 13.785 2.251 -11.443 1.00 51.01 H new ATOM 0 HG SER A 322 14.624 1.559 -9.354 1.00 44.43 H new ATOM 382 N CYS A 323 16.370 3.421 -11.959 1.00 5.25 N ATOM 383 CA CYS A 323 17.414 3.171 -12.911 1.00 1.21 C ATOM 384 C CYS A 323 17.502 1.692 -12.918 1.00 1.33 C ATOM 385 O CYS A 323 17.247 1.080 -11.875 1.00 5.33 O ATOM 386 CB CYS A 323 18.810 3.865 -12.563 1.00 11.13 C ATOM 387 SG CYS A 323 19.868 3.033 -11.309 1.00 60.31 S ATOM 0 H CYS A 323 16.525 2.982 -11.051 1.00 5.25 H new ATOM 0 HA CYS A 323 17.185 3.604 -13.885 1.00 1.21 H new ATOM 0 HB2 CYS A 323 19.384 3.953 -13.486 1.00 11.13 H new ATOM 0 HB3 CYS A 323 18.607 4.878 -12.216 1.00 11.13 H new ATOM 392 N THR A 324 17.860 1.097 -14.063 1.00 73.12 N ATOM 393 CA THR A 324 17.830 -0.353 -14.287 1.00 14.10 C ATOM 394 C THR A 324 18.488 -1.114 -13.163 1.00 0.50 C ATOM 395 O THR A 324 17.896 -2.004 -12.571 1.00 11.40 O ATOM 396 CB THR A 324 18.515 -0.734 -15.581 1.00 24.21 C ATOM 397 OG1 THR A 324 18.676 0.423 -16.414 1.00 40.33 O ATOM 398 CG2 THR A 324 17.666 -1.782 -16.291 1.00 22.34 C ATOM 0 H THR A 324 18.185 1.621 -14.875 1.00 73.12 H new ATOM 0 HA THR A 324 16.775 -0.622 -14.336 1.00 14.10 H new ATOM 0 HB THR A 324 19.504 -1.142 -15.371 1.00 24.21 H new ATOM 0 HG1 THR A 324 19.460 0.931 -16.120 1.00 40.33 H new ATOM 0 HG21 THR A 324 18.147 -2.067 -17.227 1.00 22.34 H new ATOM 0 HG22 THR A 324 17.563 -2.660 -15.653 1.00 22.34 H new ATOM 0 HG23 THR A 324 16.679 -1.369 -16.501 1.00 22.34 H new ATOM 406 N GLU A 325 19.709 -0.726 -12.824 1.00 32.31 N ATOM 407 CA GLU A 325 20.504 -1.451 -11.866 1.00 3.13 C ATOM 408 C GLU A 325 19.889 -1.379 -10.490 1.00 73.11 C ATOM 409 O GLU A 325 20.031 -2.285 -9.710 1.00 53.33 O ATOM 410 CB GLU A 325 21.910 -0.893 -11.792 1.00 13.20 C ATOM 411 CG GLU A 325 22.597 -0.833 -13.182 1.00 20.24 C ATOM 412 CD GLU A 325 22.626 0.619 -13.671 1.00 23.20 C ATOM 413 OE1 GLU A 325 23.712 1.073 -14.155 1.00 0.43 O ATOM 414 OE2 GLU A 325 21.553 1.305 -13.554 1.00 1.21 O ATOM 0 H GLU A 325 20.168 0.099 -13.209 1.00 32.31 H new ATOM 0 HA GLU A 325 20.539 -2.488 -12.200 1.00 3.13 H new ATOM 0 HB2 GLU A 325 21.878 0.108 -11.362 1.00 13.20 H new ATOM 0 HB3 GLU A 325 22.508 -1.510 -11.121 1.00 13.20 H new ATOM 0 HG2 GLU A 325 23.611 -1.227 -13.116 1.00 20.24 H new ATOM 0 HG3 GLU A 325 22.058 -1.458 -13.894 1.00 20.24 H new ATOM 421 N CYS A 326 19.198 -0.273 -10.178 1.00 11.31 N ATOM 422 CA CYS A 326 18.570 -0.134 -8.857 1.00 73.35 C ATOM 423 C CYS A 326 17.465 -1.160 -8.766 1.00 74.41 C ATOM 424 O CYS A 326 17.276 -1.799 -7.742 1.00 34.23 O ATOM 425 CB CYS A 326 17.894 1.249 -8.622 1.00 12.13 C ATOM 426 SG CYS A 326 18.871 2.403 -7.627 1.00 12.13 S ATOM 0 H CYS A 326 19.062 0.520 -10.805 1.00 11.31 H new ATOM 0 HA CYS A 326 19.362 -0.257 -8.119 1.00 73.35 H new ATOM 0 HB2 CYS A 326 17.688 1.707 -9.589 1.00 12.13 H new ATOM 0 HB3 CYS A 326 16.933 1.091 -8.133 1.00 12.13 H new ATOM 431 N TYR A 327 16.690 -1.279 -9.862 1.00 1.14 N ATOM 432 CA TYR A 327 15.554 -2.170 -9.907 1.00 53.51 C ATOM 433 C TYR A 327 16.066 -3.592 -9.824 1.00 40.03 C ATOM 434 O TYR A 327 15.888 -4.269 -8.824 1.00 65.21 O ATOM 435 CB TYR A 327 14.756 -1.982 -11.248 1.00 2.03 C ATOM 436 CG TYR A 327 13.566 -2.882 -11.473 1.00 15.30 C ATOM 437 CD1 TYR A 327 12.351 -2.606 -10.883 1.00 15.14 C ATOM 438 CD2 TYR A 327 13.668 -3.987 -12.295 1.00 22.40 C ATOM 439 CE1 TYR A 327 11.267 -3.415 -11.109 1.00 25.31 C ATOM 440 CE2 TYR A 327 12.582 -4.793 -12.516 1.00 42.42 C ATOM 441 CZ TYR A 327 11.382 -4.507 -11.924 1.00 12.12 C ATOM 442 OH TYR A 327 10.265 -5.334 -12.149 1.00 32.23 O ATOM 0 H TYR A 327 16.846 -0.758 -10.725 1.00 1.14 H new ATOM 0 HA TYR A 327 14.885 -1.950 -9.075 1.00 53.51 H new ATOM 0 HB2 TYR A 327 14.412 -0.949 -11.295 1.00 2.03 H new ATOM 0 HB3 TYR A 327 15.449 -2.125 -12.077 1.00 2.03 H new ATOM 0 HD1 TYR A 327 12.252 -1.746 -10.238 1.00 15.14 H new ATOM 0 HD2 TYR A 327 14.611 -4.218 -12.768 1.00 22.40 H new ATOM 0 HE1 TYR A 327 10.320 -3.189 -10.642 1.00 25.31 H new ATOM 0 HE2 TYR A 327 12.673 -5.656 -13.159 1.00 42.42 H new ATOM 0 HH TYR A 327 10.515 -6.065 -12.752 1.00 32.23 H new ATOM 452 N ARG A 328 16.876 -3.973 -10.834 1.00 14.23 N ATOM 453 CA ARG A 328 17.294 -5.348 -11.057 1.00 1.44 C ATOM 454 C ARG A 328 18.110 -5.859 -9.897 1.00 2.01 C ATOM 455 O ARG A 328 18.188 -7.072 -9.653 1.00 33.14 O ATOM 456 CB ARG A 328 18.133 -5.479 -12.346 1.00 60.12 C ATOM 457 CG ARG A 328 18.070 -6.851 -13.002 1.00 4.13 C ATOM 458 CD ARG A 328 19.371 -7.651 -12.857 1.00 42.02 C ATOM 459 NE ARG A 328 20.352 -7.220 -13.910 1.00 74.14 N ATOM 460 CZ ARG A 328 20.181 -7.554 -15.236 1.00 61.41 C ATOM 461 NH1 ARG A 328 19.078 -8.267 -15.641 1.00 40.03 N ATOM 462 NH2 ARG A 328 21.124 -7.183 -16.154 1.00 74.14 N ATOM 0 H ARG A 328 17.255 -3.318 -11.518 1.00 14.23 H new ATOM 0 HA ARG A 328 16.386 -5.942 -11.157 1.00 1.44 H new ATOM 0 HB2 ARG A 328 17.794 -4.731 -13.063 1.00 60.12 H new ATOM 0 HB3 ARG A 328 19.173 -5.249 -12.113 1.00 60.12 H new ATOM 0 HG2 ARG A 328 17.251 -7.420 -12.562 1.00 4.13 H new ATOM 0 HG3 ARG A 328 17.842 -6.730 -14.061 1.00 4.13 H new ATOM 0 HD2 ARG A 328 19.796 -7.496 -11.865 1.00 42.02 H new ATOM 0 HD3 ARG A 328 19.166 -8.717 -12.952 1.00 42.02 H new ATOM 0 HE ARG A 328 21.164 -6.667 -13.637 1.00 74.14 H new ATOM 0 HH11 ARG A 328 18.377 -8.554 -14.958 1.00 40.03 H new ATOM 0 HH12 ARG A 328 18.960 -8.509 -16.625 1.00 40.03 H new ATOM 0 HH21 ARG A 328 21.949 -6.662 -15.856 1.00 74.14 H new ATOM 0 HH22 ARG A 328 21.003 -7.427 -17.137 1.00 74.14 H new ATOM 476 N ALA A 329 18.766 -4.952 -9.183 1.00 34.12 N ATOM 477 CA ALA A 329 19.566 -5.347 -8.065 1.00 32.33 C ATOM 478 C ALA A 329 18.667 -5.695 -6.928 1.00 20.24 C ATOM 479 O ALA A 329 18.786 -6.772 -6.365 1.00 24.43 O ATOM 480 CB ALA A 329 20.536 -4.257 -7.580 1.00 35.35 C ATOM 0 H ALA A 329 18.751 -3.949 -9.368 1.00 34.12 H new ATOM 0 HA ALA A 329 20.165 -6.194 -8.399 1.00 32.33 H new ATOM 0 HB1 ALA A 329 21.108 -4.631 -6.730 1.00 35.35 H new ATOM 0 HB2 ALA A 329 21.218 -3.991 -8.388 1.00 35.35 H new ATOM 0 HB3 ALA A 329 19.971 -3.375 -7.278 1.00 35.35 H new ATOM 486 N LEU A 330 17.789 -4.762 -6.546 1.00 55.31 N ATOM 487 CA LEU A 330 16.927 -4.910 -5.360 1.00 12.04 C ATOM 488 C LEU A 330 15.791 -5.832 -5.690 1.00 34.21 C ATOM 489 O LEU A 330 14.877 -5.411 -6.358 1.00 64.45 O ATOM 490 CB LEU A 330 16.303 -3.537 -4.966 1.00 2.21 C ATOM 491 CG LEU A 330 15.299 -3.551 -3.786 1.00 11.05 C ATOM 492 CD1 LEU A 330 15.739 -4.459 -2.621 1.00 21.32 C ATOM 493 CD2 LEU A 330 14.986 -2.128 -3.296 1.00 35.24 C ATOM 0 H LEU A 330 17.653 -3.884 -7.046 1.00 55.31 H new ATOM 0 HA LEU A 330 17.534 -5.298 -4.542 1.00 12.04 H new ATOM 0 HB2 LEU A 330 17.113 -2.852 -4.717 1.00 2.21 H new ATOM 0 HB3 LEU A 330 15.797 -3.128 -5.840 1.00 2.21 H new ATOM 0 HG LEU A 330 14.380 -3.986 -4.180 1.00 11.05 H new ATOM 0 HD11 LEU A 330 14.991 -4.422 -1.829 1.00 21.32 H new ATOM 0 HD12 LEU A 330 15.841 -5.484 -2.977 1.00 21.32 H new ATOM 0 HD13 LEU A 330 16.697 -4.113 -2.232 1.00 21.32 H new ATOM 0 HD21 LEU A 330 14.279 -2.176 -2.468 1.00 35.24 H new ATOM 0 HD22 LEU A 330 15.905 -1.648 -2.961 1.00 35.24 H new ATOM 0 HD23 LEU A 330 14.552 -1.550 -4.111 1.00 35.24 H new ATOM 505 N PRO A 331 15.755 -7.090 -5.224 1.00 43.45 N ATOM 506 CA PRO A 331 14.599 -7.875 -5.535 1.00 14.23 C ATOM 507 C PRO A 331 13.592 -7.872 -4.412 1.00 32.41 C ATOM 508 O PRO A 331 13.800 -8.442 -3.337 1.00 72.24 O ATOM 509 CB PRO A 331 15.220 -9.276 -5.669 1.00 20.10 C ATOM 510 CG PRO A 331 16.441 -9.264 -4.708 1.00 42.23 C ATOM 511 CD PRO A 331 16.697 -7.782 -4.359 1.00 11.40 C ATOM 0 HA PRO A 331 14.056 -7.515 -6.409 1.00 14.23 H new ATOM 0 HB2 PRO A 331 14.507 -10.053 -5.392 1.00 20.10 H new ATOM 0 HB3 PRO A 331 15.527 -9.476 -6.696 1.00 20.10 H new ATOM 0 HG2 PRO A 331 16.235 -9.846 -3.810 1.00 42.23 H new ATOM 0 HG3 PRO A 331 17.315 -9.709 -5.183 1.00 42.23 H new ATOM 0 HD2 PRO A 331 16.509 -7.574 -3.306 1.00 11.40 H new ATOM 0 HD3 PRO A 331 17.727 -7.489 -4.563 1.00 11.40 H new ATOM 519 N GLU A 332 12.468 -7.282 -4.680 1.00 4.04 N ATOM 520 CA GLU A 332 11.296 -7.340 -3.857 1.00 11.33 C ATOM 521 C GLU A 332 10.249 -7.214 -4.877 1.00 1.43 C ATOM 522 O GLU A 332 10.574 -7.064 -6.058 1.00 51.41 O ATOM 523 CB GLU A 332 11.175 -6.160 -2.835 1.00 42.54 C ATOM 524 CG GLU A 332 12.128 -4.997 -3.120 1.00 31.41 C ATOM 525 CD GLU A 332 11.642 -3.767 -2.366 1.00 12.14 C ATOM 526 OE1 GLU A 332 11.667 -3.792 -1.110 1.00 22.30 O ATOM 527 OE2 GLU A 332 11.241 -2.770 -3.041 1.00 13.13 O ATOM 0 H GLU A 332 12.335 -6.719 -5.520 1.00 4.04 H new ATOM 0 HA GLU A 332 11.269 -8.232 -3.232 1.00 11.33 H new ATOM 0 HB2 GLU A 332 10.150 -5.788 -2.843 1.00 42.54 H new ATOM 0 HB3 GLU A 332 11.369 -6.539 -1.832 1.00 42.54 H new ATOM 0 HG2 GLU A 332 13.141 -5.254 -2.809 1.00 31.41 H new ATOM 0 HG3 GLU A 332 12.165 -4.793 -4.190 1.00 31.41 H new ATOM 534 N PRO A 333 8.991 -7.268 -4.518 1.00 43.41 N ATOM 535 CA PRO A 333 8.036 -6.660 -5.397 1.00 0.21 C ATOM 536 C PRO A 333 8.146 -5.186 -5.108 1.00 55.03 C ATOM 537 O PRO A 333 7.914 -4.762 -3.979 1.00 73.34 O ATOM 538 CB PRO A 333 6.667 -7.208 -4.948 1.00 53.41 C ATOM 539 CG PRO A 333 6.892 -7.802 -3.542 1.00 33.34 C ATOM 540 CD PRO A 333 8.410 -7.947 -3.348 1.00 61.22 C ATOM 0 HA PRO A 333 8.180 -6.853 -6.460 1.00 0.21 H new ATOM 0 HB2 PRO A 333 5.918 -6.416 -4.923 1.00 53.41 H new ATOM 0 HB3 PRO A 333 6.304 -7.968 -5.640 1.00 53.41 H new ATOM 0 HG2 PRO A 333 6.467 -7.152 -2.777 1.00 33.34 H new ATOM 0 HG3 PRO A 333 6.398 -8.769 -3.449 1.00 33.34 H new ATOM 0 HD2 PRO A 333 8.738 -7.486 -2.416 1.00 61.22 H new ATOM 0 HD3 PRO A 333 8.708 -8.995 -3.307 1.00 61.22 H new ATOM 548 N LYS A 334 8.492 -4.378 -6.102 1.00 63.34 N ATOM 549 CA LYS A 334 8.788 -2.998 -5.816 1.00 42.33 C ATOM 550 C LYS A 334 7.563 -2.190 -5.983 1.00 74.32 C ATOM 551 O LYS A 334 6.668 -2.522 -6.776 1.00 41.42 O ATOM 552 CB LYS A 334 9.895 -2.413 -6.718 1.00 1.23 C ATOM 553 CG LYS A 334 11.301 -2.820 -6.275 1.00 33.31 C ATOM 554 CD LYS A 334 12.172 -3.308 -7.418 1.00 65.11 C ATOM 555 CE LYS A 334 12.120 -4.818 -7.596 1.00 3.41 C ATOM 556 NZ LYS A 334 13.046 -5.226 -8.661 1.00 42.02 N ATOM 0 H LYS A 334 8.571 -4.651 -7.082 1.00 63.34 H new ATOM 0 HA LYS A 334 9.152 -2.961 -4.789 1.00 42.33 H new ATOM 0 HB2 LYS A 334 9.733 -2.743 -7.744 1.00 1.23 H new ATOM 0 HB3 LYS A 334 9.820 -1.326 -6.718 1.00 1.23 H new ATOM 0 HG2 LYS A 334 11.785 -1.968 -5.797 1.00 33.31 H new ATOM 0 HG3 LYS A 334 11.225 -3.606 -5.524 1.00 33.31 H new ATOM 0 HD2 LYS A 334 11.853 -2.827 -8.343 1.00 65.11 H new ATOM 0 HD3 LYS A 334 13.203 -3.003 -7.239 1.00 65.11 H new ATOM 0 HE2 LYS A 334 12.385 -5.313 -6.662 1.00 3.41 H new ATOM 0 HE3 LYS A 334 11.105 -5.129 -7.845 1.00 3.41 H new ATOM 0 HZ1 LYS A 334 12.886 -6.227 -8.896 1.00 42.02 H new ATOM 0 HZ2 LYS A 334 12.882 -4.642 -9.506 1.00 42.02 H new ATOM 0 HZ3 LYS A 334 14.026 -5.099 -8.337 1.00 42.02 H new ATOM 570 N LYS A 335 7.495 -1.115 -5.199 1.00 53.21 N ATOM 571 CA LYS A 335 6.416 -0.201 -5.273 1.00 2.12 C ATOM 572 C LYS A 335 6.965 1.020 -5.909 1.00 32.14 C ATOM 573 O LYS A 335 8.151 1.335 -5.778 1.00 5.11 O ATOM 574 CB LYS A 335 5.831 0.197 -3.895 1.00 11.43 C ATOM 575 CG LYS A 335 5.445 -1.005 -3.027 1.00 64.11 C ATOM 576 CD LYS A 335 4.161 -1.717 -3.501 1.00 32.13 C ATOM 577 CE LYS A 335 4.370 -3.184 -3.918 1.00 3.03 C ATOM 578 NZ LYS A 335 5.205 -3.901 -2.928 1.00 3.33 N ATOM 0 H LYS A 335 8.200 -0.876 -4.502 1.00 53.21 H new ATOM 0 HA LYS A 335 5.602 -0.670 -5.826 1.00 2.12 H new ATOM 0 HB2 LYS A 335 6.562 0.802 -3.359 1.00 11.43 H new ATOM 0 HB3 LYS A 335 4.951 0.822 -4.049 1.00 11.43 H new ATOM 0 HG2 LYS A 335 6.268 -1.720 -3.023 1.00 64.11 H new ATOM 0 HG3 LYS A 335 5.308 -0.672 -1.998 1.00 64.11 H new ATOM 0 HD2 LYS A 335 3.422 -1.680 -2.701 1.00 32.13 H new ATOM 0 HD3 LYS A 335 3.744 -1.167 -4.345 1.00 32.13 H new ATOM 0 HE2 LYS A 335 3.404 -3.680 -4.013 1.00 3.03 H new ATOM 0 HE3 LYS A 335 4.846 -3.223 -4.898 1.00 3.03 H new ATOM 0 HZ1 LYS A 335 4.791 -4.836 -2.737 1.00 3.33 H new ATOM 0 HZ2 LYS A 335 6.167 -4.019 -3.306 1.00 3.33 H new ATOM 0 HZ3 LYS A 335 5.245 -3.353 -2.045 1.00 3.33 H new ATOM 592 N CYS A 336 6.092 1.738 -6.625 1.00 61.41 N ATOM 593 CA CYS A 336 6.431 2.990 -7.275 1.00 71.43 C ATOM 594 C CYS A 336 6.925 3.918 -6.195 1.00 61.25 C ATOM 595 O CYS A 336 6.166 4.276 -5.345 1.00 34.14 O ATOM 596 CB CYS A 336 5.191 3.660 -7.919 1.00 32.33 C ATOM 597 SG CYS A 336 5.597 4.734 -9.347 1.00 64.11 S ATOM 0 H CYS A 336 5.122 1.455 -6.765 1.00 61.41 H new ATOM 0 HA CYS A 336 7.167 2.797 -8.056 1.00 71.43 H new ATOM 0 HB2 CYS A 336 4.497 2.885 -8.244 1.00 32.33 H new ATOM 0 HB3 CYS A 336 4.676 4.253 -7.164 1.00 32.33 H new ATOM 602 N PRO A 337 8.156 4.374 -6.264 1.00 34.42 N ATOM 603 CA PRO A 337 8.718 5.218 -5.200 1.00 21.33 C ATOM 604 C PRO A 337 7.953 6.494 -4.962 1.00 73.22 C ATOM 605 O PRO A 337 7.938 7.023 -3.861 1.00 63.54 O ATOM 606 CB PRO A 337 10.155 5.525 -5.656 1.00 45.24 C ATOM 607 CG PRO A 337 10.195 5.168 -7.132 1.00 3.53 C ATOM 608 CD PRO A 337 9.119 4.112 -7.341 1.00 43.01 C ATOM 0 HA PRO A 337 8.669 4.695 -4.245 1.00 21.33 H new ATOM 0 HB2 PRO A 337 10.401 6.575 -5.499 1.00 45.24 H new ATOM 0 HB3 PRO A 337 10.880 4.940 -5.090 1.00 45.24 H new ATOM 0 HG2 PRO A 337 10.005 6.045 -7.750 1.00 3.53 H new ATOM 0 HG3 PRO A 337 11.176 4.786 -7.414 1.00 3.53 H new ATOM 0 HD2 PRO A 337 8.655 4.203 -8.323 1.00 43.01 H new ATOM 0 HD3 PRO A 337 9.529 3.104 -7.274 1.00 43.01 H new ATOM 616 N ILE A 338 7.255 6.983 -6.000 1.00 63.43 N ATOM 617 CA ILE A 338 6.573 8.235 -5.900 1.00 31.43 C ATOM 618 C ILE A 338 5.160 7.992 -5.416 1.00 42.52 C ATOM 619 O ILE A 338 4.676 8.705 -4.569 1.00 3.14 O ATOM 620 CB ILE A 338 6.479 8.975 -7.242 1.00 53.34 C ATOM 621 CG1 ILE A 338 7.638 8.604 -8.199 1.00 0.02 C ATOM 622 CG2 ILE A 338 6.438 10.482 -6.972 1.00 15.10 C ATOM 623 CD1 ILE A 338 8.998 9.145 -7.756 1.00 54.23 C ATOM 0 H ILE A 338 7.162 6.516 -6.902 1.00 63.43 H new ATOM 0 HA ILE A 338 7.147 8.850 -5.208 1.00 31.43 H new ATOM 0 HB ILE A 338 5.563 8.668 -7.747 1.00 53.34 H new ATOM 0 HG12 ILE A 338 7.697 7.519 -8.280 1.00 0.02 H new ATOM 0 HG13 ILE A 338 7.412 8.986 -9.195 1.00 0.02 H new ATOM 0 HG21 ILE A 338 6.371 11.019 -7.918 1.00 15.10 H new ATOM 0 HG22 ILE A 338 5.569 10.718 -6.358 1.00 15.10 H new ATOM 0 HG23 ILE A 338 7.345 10.782 -6.447 1.00 15.10 H new ATOM 0 HD11 ILE A 338 9.761 8.845 -8.475 1.00 54.23 H new ATOM 0 HD12 ILE A 338 8.957 10.233 -7.703 1.00 54.23 H new ATOM 0 HD13 ILE A 338 9.247 8.743 -6.774 1.00 54.23 H new ATOM 635 N CYS A 339 4.488 6.914 -5.905 1.00 23.50 N ATOM 636 CA CYS A 339 3.043 6.826 -5.675 1.00 62.11 C ATOM 637 C CYS A 339 2.674 5.574 -4.892 1.00 22.20 C ATOM 638 O CYS A 339 1.522 5.371 -4.564 1.00 44.02 O ATOM 639 CB CYS A 339 2.216 6.905 -7.001 1.00 74.34 C ATOM 640 SG CYS A 339 2.269 5.387 -7.992 1.00 23.45 S ATOM 0 H CYS A 339 4.904 6.143 -6.428 1.00 23.50 H new ATOM 0 HA CYS A 339 2.780 7.697 -5.075 1.00 62.11 H new ATOM 0 HB2 CYS A 339 1.178 7.132 -6.757 1.00 74.34 H new ATOM 0 HB3 CYS A 339 2.591 7.733 -7.603 1.00 74.34 H new ATOM 645 N ARG A 340 3.656 4.688 -4.650 1.00 0.23 N ATOM 646 CA ARG A 340 3.477 3.464 -3.857 1.00 44.01 C ATOM 647 C ARG A 340 2.594 2.420 -4.527 1.00 41.33 C ATOM 648 O ARG A 340 2.193 1.466 -3.889 1.00 40.31 O ATOM 649 CB ARG A 340 3.047 3.675 -2.386 1.00 2.21 C ATOM 650 CG ARG A 340 4.116 4.397 -1.555 1.00 62.24 C ATOM 651 CD ARG A 340 5.442 3.601 -1.446 1.00 24.30 C ATOM 652 NE ARG A 340 6.575 4.541 -1.684 1.00 41.44 N ATOM 653 CZ ARG A 340 7.863 4.146 -1.441 1.00 5.34 C ATOM 654 NH1 ARG A 340 8.126 2.860 -1.033 1.00 52.12 N ATOM 655 NH2 ARG A 340 8.891 5.032 -1.612 1.00 23.13 N ATOM 0 H ARG A 340 4.605 4.805 -5.004 1.00 0.23 H new ATOM 0 HA ARG A 340 4.493 3.072 -3.817 1.00 44.01 H new ATOM 0 HB2 ARG A 340 2.122 4.252 -2.361 1.00 2.21 H new ATOM 0 HB3 ARG A 340 2.832 2.708 -1.932 1.00 2.21 H new ATOM 0 HG2 ARG A 340 4.319 5.370 -2.002 1.00 62.24 H new ATOM 0 HG3 ARG A 340 3.726 4.581 -0.554 1.00 62.24 H new ATOM 0 HD2 ARG A 340 5.530 3.143 -0.461 1.00 24.30 H new ATOM 0 HD3 ARG A 340 5.460 2.792 -2.176 1.00 24.30 H new ATOM 0 HE ARG A 340 6.389 5.483 -2.029 1.00 41.44 H new ATOM 0 HH11 ARG A 340 7.360 2.197 -0.911 1.00 52.12 H new ATOM 0 HH12 ARG A 340 9.087 2.569 -0.853 1.00 52.12 H new ATOM 0 HH21 ARG A 340 8.697 5.985 -1.920 1.00 23.13 H new ATOM 0 HH22 ARG A 340 9.851 4.740 -1.431 1.00 23.13 H new ATOM 669 N GLN A 341 2.279 2.569 -5.832 1.00 53.15 N ATOM 670 CA GLN A 341 1.532 1.514 -6.535 1.00 53.13 C ATOM 671 C GLN A 341 2.513 0.424 -6.837 1.00 72.12 C ATOM 672 O GLN A 341 3.674 0.714 -7.102 1.00 65.32 O ATOM 673 CB GLN A 341 1.020 1.950 -7.911 1.00 23.21 C ATOM 674 CG GLN A 341 -0.198 2.862 -7.892 1.00 72.31 C ATOM 675 CD GLN A 341 -0.290 3.504 -9.279 1.00 1.15 C ATOM 676 OE1 GLN A 341 0.756 3.793 -9.912 1.00 63.43 O ATOM 677 NE2 GLN A 341 -1.506 3.736 -9.768 1.00 64.15 N ATOM 0 H GLN A 341 2.522 3.381 -6.400 1.00 53.15 H new ATOM 0 HA GLN A 341 0.689 1.236 -5.902 1.00 53.13 H new ATOM 0 HB2 GLN A 341 1.827 2.460 -8.436 1.00 23.21 H new ATOM 0 HB3 GLN A 341 0.777 1.059 -8.489 1.00 23.21 H new ATOM 0 HG2 GLN A 341 -1.102 2.296 -7.667 1.00 72.31 H new ATOM 0 HG3 GLN A 341 -0.099 3.624 -7.119 1.00 72.31 H new ATOM 0 HE21 GLN A 341 -2.331 3.487 -9.223 1.00 64.15 H new ATOM 0 HE22 GLN A 341 -1.613 4.163 -10.688 1.00 64.15 H new ATOM 686 N ALA A 342 2.049 -0.841 -6.806 1.00 72.33 N ATOM 687 CA ALA A 342 2.865 -1.997 -7.193 1.00 40.11 C ATOM 688 C ALA A 342 3.276 -1.836 -8.644 1.00 22.54 C ATOM 689 O ALA A 342 2.566 -1.203 -9.449 1.00 31.10 O ATOM 690 CB ALA A 342 2.122 -3.339 -7.064 1.00 13.42 C ATOM 0 H ALA A 342 1.103 -1.084 -6.513 1.00 72.33 H new ATOM 0 HA ALA A 342 3.719 -2.022 -6.516 1.00 40.11 H new ATOM 0 HB1 ALA A 342 2.783 -4.151 -7.366 1.00 13.42 H new ATOM 0 HB2 ALA A 342 1.815 -3.487 -6.029 1.00 13.42 H new ATOM 0 HB3 ALA A 342 1.241 -3.330 -7.706 1.00 13.42 H new ATOM 696 N ILE A 343 4.428 -2.411 -9.004 1.00 72.15 N ATOM 697 CA ILE A 343 4.940 -2.317 -10.347 1.00 61.45 C ATOM 698 C ILE A 343 4.388 -3.475 -11.143 1.00 71.34 C ATOM 699 O ILE A 343 4.392 -4.621 -10.693 1.00 40.31 O ATOM 700 CB ILE A 343 6.463 -2.311 -10.368 1.00 13.03 C ATOM 701 CG1 ILE A 343 6.976 -1.034 -9.680 1.00 23.30 C ATOM 702 CG2 ILE A 343 6.994 -2.426 -11.812 1.00 44.44 C ATOM 703 CD1 ILE A 343 8.452 -1.051 -9.411 1.00 45.33 C ATOM 0 H ILE A 343 5.017 -2.948 -8.367 1.00 72.15 H new ATOM 0 HA ILE A 343 4.623 -1.374 -10.792 1.00 61.45 H new ATOM 0 HB ILE A 343 6.834 -3.177 -9.821 1.00 13.03 H new ATOM 0 HG12 ILE A 343 6.739 -0.173 -10.305 1.00 23.30 H new ATOM 0 HG13 ILE A 343 6.444 -0.900 -8.738 1.00 23.30 H new ATOM 0 HG21 ILE A 343 8.084 -2.420 -11.800 1.00 44.44 H new ATOM 0 HG22 ILE A 343 6.641 -3.357 -12.256 1.00 44.44 H new ATOM 0 HG23 ILE A 343 6.632 -1.583 -12.401 1.00 44.44 H new ATOM 0 HD11 ILE A 343 8.744 -0.120 -8.925 1.00 45.33 H new ATOM 0 HD12 ILE A 343 8.694 -1.891 -8.760 1.00 45.33 H new ATOM 0 HD13 ILE A 343 8.992 -1.154 -10.352 1.00 45.33 H new ATOM 715 N THR A 344 3.890 -3.168 -12.355 1.00 34.40 N ATOM 716 CA THR A 344 3.305 -4.160 -13.216 1.00 43.12 C ATOM 717 C THR A 344 4.347 -4.542 -14.262 1.00 75.41 C ATOM 718 O THR A 344 4.459 -5.708 -14.652 1.00 13.44 O ATOM 719 CB THR A 344 2.039 -3.616 -13.863 1.00 21.25 C ATOM 720 OG1 THR A 344 0.954 -3.682 -12.943 1.00 55.15 O ATOM 721 CG2 THR A 344 1.692 -4.356 -15.151 1.00 63.24 C ATOM 0 H THR A 344 3.891 -2.225 -12.745 1.00 34.40 H new ATOM 0 HA THR A 344 3.018 -5.045 -12.647 1.00 43.12 H new ATOM 0 HB THR A 344 2.224 -2.575 -14.129 1.00 21.25 H new ATOM 0 HG1 THR A 344 0.144 -3.329 -13.367 1.00 55.15 H new ATOM 0 HG21 THR A 344 0.782 -3.935 -15.579 1.00 63.24 H new ATOM 0 HG22 THR A 344 2.510 -4.250 -15.863 1.00 63.24 H new ATOM 0 HG23 THR A 344 1.535 -5.412 -14.933 1.00 63.24 H new ATOM 729 N ARG A 345 5.159 -3.573 -14.682 1.00 24.51 N ATOM 730 CA ARG A 345 6.164 -3.846 -15.680 1.00 0.13 C ATOM 731 C ARG A 345 7.108 -2.715 -15.633 1.00 24.52 C ATOM 732 O ARG A 345 6.858 -1.720 -14.962 1.00 52.01 O ATOM 733 CB ARG A 345 5.610 -3.983 -17.139 1.00 40.52 C ATOM 734 CG ARG A 345 6.049 -5.274 -17.845 1.00 75.14 C ATOM 735 CD ARG A 345 7.132 -5.038 -18.912 1.00 64.11 C ATOM 736 NE ARG A 345 7.780 -6.358 -19.223 1.00 73.23 N ATOM 737 CZ ARG A 345 9.151 -6.525 -19.184 1.00 42.14 C ATOM 738 NH1 ARG A 345 9.984 -5.467 -18.903 1.00 41.43 N ATOM 739 NH2 ARG A 345 9.688 -7.760 -19.440 1.00 4.44 N ATOM 0 H ARG A 345 5.134 -2.610 -14.347 1.00 24.51 H new ATOM 0 HA ARG A 345 6.618 -4.810 -15.450 1.00 0.13 H new ATOM 0 HB2 ARG A 345 4.521 -3.947 -17.110 1.00 40.52 H new ATOM 0 HB3 ARG A 345 5.942 -3.127 -17.726 1.00 40.52 H new ATOM 0 HG2 ARG A 345 6.426 -5.977 -17.102 1.00 75.14 H new ATOM 0 HG3 ARG A 345 5.181 -5.739 -18.313 1.00 75.14 H new ATOM 0 HD2 ARG A 345 6.692 -4.609 -19.812 1.00 64.11 H new ATOM 0 HD3 ARG A 345 7.874 -4.326 -18.550 1.00 64.11 H new ATOM 0 HE ARG A 345 7.191 -7.153 -19.470 1.00 73.23 H new ATOM 0 HH11 ARG A 345 9.591 -4.544 -18.720 1.00 41.43 H new ATOM 0 HH12 ARG A 345 10.994 -5.606 -18.878 1.00 41.43 H new ATOM 0 HH21 ARG A 345 9.076 -8.547 -19.657 1.00 4.44 H new ATOM 0 HH22 ARG A 345 10.699 -7.892 -19.413 1.00 4.44 H new ATOM 753 N VAL A 346 8.234 -2.861 -16.318 1.00 34.30 N ATOM 754 CA VAL A 346 9.203 -1.819 -16.372 1.00 20.22 C ATOM 755 C VAL A 346 9.558 -1.614 -17.818 1.00 64.23 C ATOM 756 O VAL A 346 9.719 -2.571 -18.586 1.00 41.44 O ATOM 757 CB VAL A 346 10.455 -2.125 -15.537 1.00 22.53 C ATOM 758 CG1 VAL A 346 11.025 -3.513 -15.897 1.00 40.31 C ATOM 759 CG2 VAL A 346 11.490 -0.990 -15.685 1.00 44.52 C ATOM 0 H VAL A 346 8.483 -3.701 -16.840 1.00 34.30 H new ATOM 0 HA VAL A 346 8.780 -0.913 -15.938 1.00 20.22 H new ATOM 0 HB VAL A 346 10.183 -2.168 -14.482 1.00 22.53 H new ATOM 0 HG11 VAL A 346 11.911 -3.710 -15.294 1.00 40.31 H new ATOM 0 HG12 VAL A 346 10.274 -4.277 -15.698 1.00 40.31 H new ATOM 0 HG13 VAL A 346 11.293 -3.534 -16.953 1.00 40.31 H new ATOM 0 HG21 VAL A 346 12.372 -1.221 -15.087 1.00 44.52 H new ATOM 0 HG22 VAL A 346 11.777 -0.893 -16.732 1.00 44.52 H new ATOM 0 HG23 VAL A 346 11.054 -0.053 -15.340 1.00 44.52 H new ATOM 769 N ILE A 347 9.584 -0.347 -18.231 1.00 42.12 N ATOM 770 CA ILE A 347 10.009 0.022 -19.540 1.00 60.23 C ATOM 771 C ILE A 347 11.351 0.675 -19.324 1.00 63.13 C ATOM 772 O ILE A 347 11.429 1.807 -18.832 1.00 53.02 O ATOM 773 CB ILE A 347 9.082 1.046 -20.196 1.00 15.40 C ATOM 774 CG1 ILE A 347 7.602 0.622 -20.068 1.00 12.44 C ATOM 775 CG2 ILE A 347 9.500 1.246 -21.662 1.00 1.03 C ATOM 776 CD1 ILE A 347 6.807 1.533 -19.154 1.00 60.32 C ATOM 0 H ILE A 347 9.305 0.442 -17.647 1.00 42.12 H new ATOM 0 HA ILE A 347 10.024 -0.850 -20.194 1.00 60.23 H new ATOM 0 HB ILE A 347 9.176 2.001 -19.678 1.00 15.40 H new ATOM 0 HG12 ILE A 347 7.143 0.617 -21.057 1.00 12.44 H new ATOM 0 HG13 ILE A 347 7.553 -0.399 -19.689 1.00 12.44 H new ATOM 0 HG21 ILE A 347 8.841 1.976 -22.132 1.00 1.03 H new ATOM 0 HG22 ILE A 347 10.528 1.607 -21.701 1.00 1.03 H new ATOM 0 HG23 ILE A 347 9.428 0.297 -22.193 1.00 1.03 H new ATOM 0 HD11 ILE A 347 5.775 1.186 -19.103 1.00 60.32 H new ATOM 0 HD12 ILE A 347 7.245 1.519 -18.156 1.00 60.32 H new ATOM 0 HD13 ILE A 347 6.829 2.550 -19.545 1.00 60.32 H new ATOM 788 N PRO A 348 12.431 -0.028 -19.638 1.00 41.14 N ATOM 789 CA PRO A 348 13.752 0.528 -19.463 1.00 43.13 C ATOM 790 C PRO A 348 14.088 1.541 -20.498 1.00 35.30 C ATOM 791 O PRO A 348 13.594 1.493 -21.630 1.00 25.30 O ATOM 792 CB PRO A 348 14.707 -0.671 -19.568 1.00 53.14 C ATOM 793 CG PRO A 348 13.951 -1.693 -20.410 1.00 51.43 C ATOM 794 CD PRO A 348 12.462 -1.410 -20.171 1.00 51.21 C ATOM 0 HA PRO A 348 13.825 1.050 -18.509 1.00 43.13 H new ATOM 0 HB2 PRO A 348 15.648 -0.388 -20.039 1.00 53.14 H new ATOM 0 HB3 PRO A 348 14.951 -1.071 -18.584 1.00 53.14 H new ATOM 0 HG2 PRO A 348 14.204 -1.594 -21.466 1.00 51.43 H new ATOM 0 HG3 PRO A 348 14.208 -2.710 -20.115 1.00 51.43 H new ATOM 0 HD2 PRO A 348 11.889 -1.493 -21.094 1.00 51.21 H new ATOM 0 HD3 PRO A 348 12.031 -2.119 -19.464 1.00 51.21 H new ATOM 802 N LEU A 349 14.952 2.460 -20.125 1.00 53.12 N ATOM 803 CA LEU A 349 15.450 3.437 -21.011 1.00 21.10 C ATOM 804 C LEU A 349 16.869 3.071 -21.016 1.00 60.53 C ATOM 805 O LEU A 349 17.432 2.813 -19.959 1.00 41.33 O ATOM 806 CB LEU A 349 15.318 4.894 -20.483 1.00 23.30 C ATOM 807 CG LEU A 349 14.062 5.639 -20.991 1.00 64.42 C ATOM 808 CD1 LEU A 349 12.778 4.805 -20.889 1.00 32.20 C ATOM 809 CD2 LEU A 349 13.905 7.010 -20.331 1.00 2.21 C ATOM 0 H LEU A 349 15.322 2.533 -19.177 1.00 53.12 H new ATOM 0 HA LEU A 349 14.925 3.443 -21.966 1.00 21.10 H new ATOM 0 HB2 LEU A 349 15.299 4.874 -19.393 1.00 23.30 H new ATOM 0 HB3 LEU A 349 16.204 5.457 -20.776 1.00 23.30 H new ATOM 0 HG LEU A 349 14.226 5.805 -22.056 1.00 64.42 H new ATOM 0 HD11 LEU A 349 11.935 5.387 -21.262 1.00 32.20 H new ATOM 0 HD12 LEU A 349 12.885 3.898 -21.485 1.00 32.20 H new ATOM 0 HD13 LEU A 349 12.601 4.536 -19.848 1.00 32.20 H new ATOM 0 HD21 LEU A 349 13.010 7.499 -20.716 1.00 2.21 H new ATOM 0 HD22 LEU A 349 13.814 6.886 -19.252 1.00 2.21 H new ATOM 0 HD23 LEU A 349 14.778 7.623 -20.554 1.00 2.21 H new ATOM 821 N TYR A 350 17.496 3.031 -22.167 1.00 0.44 N ATOM 822 CA TYR A 350 18.856 2.582 -22.213 1.00 72.32 C ATOM 823 C TYR A 350 19.698 3.798 -22.061 1.00 45.21 C ATOM 824 O TYR A 350 19.905 4.569 -23.002 1.00 60.21 O ATOM 825 CB TYR A 350 19.190 1.847 -23.537 1.00 4.41 C ATOM 826 CG TYR A 350 18.176 0.766 -23.857 1.00 12.51 C ATOM 827 CD1 TYR A 350 17.394 0.840 -24.993 1.00 71.23 C ATOM 828 CD2 TYR A 350 17.990 -0.305 -22.995 1.00 43.54 C ATOM 829 CE1 TYR A 350 16.455 -0.128 -25.260 1.00 4.31 C ATOM 830 CE2 TYR A 350 17.051 -1.276 -23.269 1.00 43.21 C ATOM 831 CZ TYR A 350 16.283 -1.186 -24.402 1.00 41.13 C ATOM 832 OH TYR A 350 15.309 -2.183 -24.687 1.00 34.11 O ATOM 0 H TYR A 350 17.092 3.299 -23.064 1.00 0.44 H new ATOM 0 HA TYR A 350 19.041 1.857 -21.420 1.00 72.32 H new ATOM 0 HB2 TYR A 350 19.222 2.568 -24.354 1.00 4.41 H new ATOM 0 HB3 TYR A 350 20.183 1.403 -23.465 1.00 4.41 H new ATOM 0 HD1 TYR A 350 17.521 1.666 -25.678 1.00 71.23 H new ATOM 0 HD2 TYR A 350 18.588 -0.379 -22.099 1.00 43.54 H new ATOM 0 HE1 TYR A 350 15.849 -0.056 -26.151 1.00 4.31 H new ATOM 0 HE2 TYR A 350 16.920 -2.107 -22.592 1.00 43.21 H new ATOM 0 HH TYR A 350 15.318 -2.861 -23.979 1.00 34.11 H new ATOM 842 N ASN A 351 20.154 4.007 -20.829 1.00 24.45 N ATOM 843 CA ASN A 351 20.953 5.132 -20.457 1.00 20.31 C ATOM 844 C ASN A 351 21.661 4.639 -19.241 1.00 73.13 C ATOM 845 O ASN A 351 21.514 3.478 -18.873 1.00 32.42 O ATOM 846 CB ASN A 351 20.110 6.394 -20.067 1.00 63.41 C ATOM 847 CG ASN A 351 20.887 7.714 -20.187 1.00 2.31 C ATOM 848 OD1 ASN A 351 21.704 8.047 -19.325 1.00 43.02 O ATOM 849 ND2 ASN A 351 20.642 8.477 -21.260 1.00 13.00 N ATOM 0 H ASN A 351 19.964 3.372 -20.054 1.00 24.45 H new ATOM 0 HA ASN A 351 21.591 5.452 -21.281 1.00 20.31 H new ATOM 0 HB2 ASN A 351 19.227 6.442 -20.705 1.00 63.41 H new ATOM 0 HB3 ASN A 351 19.757 6.282 -19.042 1.00 63.41 H new ATOM 0 HD21 ASN A 351 21.137 9.361 -21.381 1.00 13.00 H new ATOM 0 HD22 ASN A 351 19.960 8.175 -21.956 1.00 13.00 H new ATOM 856 N SER A 352 22.385 5.506 -18.558 1.00 51.13 N ATOM 857 CA SER A 352 23.095 5.105 -17.371 1.00 4.42 C ATOM 858 C SER A 352 22.097 5.173 -16.187 1.00 21.35 C ATOM 859 O SER A 352 21.076 5.927 -16.302 1.00 0.00 O ATOM 860 CB SER A 352 24.298 6.038 -17.052 1.00 40.32 C ATOM 861 OG SER A 352 24.728 6.740 -18.238 1.00 71.31 O ATOM 862 OXT SER A 352 22.345 4.500 -15.148 1.00 0.00 O ATOM 0 H SER A 352 22.493 6.489 -18.809 1.00 51.13 H new ATOM 0 HA SER A 352 23.491 4.102 -17.528 1.00 4.42 H new ATOM 0 HB2 SER A 352 24.014 6.755 -16.282 1.00 40.32 H new ATOM 0 HB3 SER A 352 25.124 5.450 -16.652 1.00 40.32 H new ATOM 0 HG SER A 352 25.484 7.323 -18.017 1.00 71.31 H new TER 868 SER A 352 HETATM 869 ZN ZN A 500 19.401 4.044 -9.190 1.00 0.00 ZN HETATM 870 ZN ZN A 501 3.604 5.861 -9.880 1.00 0.00 ZN