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 Single : A 297 SER OG : rot 180:sc= 0 USER MOD Single : A 299 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.131) USER MOD Single : A 300 SER OG : rot 180:sc= 0 USER MOD Single : A 307 SER OG : rot 180:sc= 0.032 USER MOD Single : A 308 SER OG : rot 140:sc= 0.686 USER MOD Single : A 310 LYS NZ :NH3+ -126:sc= -0.345 (180deg=-2.33) USER MOD Single : A 311 SER OG : rot 170:sc= -0.131 USER MOD Single : A 312 CYS SG : rot 12:sc= 0.328 USER MOD Single : A 321 CYS SG : rot 62:sc= -0.275 USER MOD Single : A 322 SER OG : rot 180:sc= 0.155 USER MOD Single : A 324 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 327 TYR OH : rot 180:sc= 0 USER MOD Single : A 334 LYS NZ :NH3+ -176:sc= 0.989 (180deg=0.982) USER MOD Single : A 335 LYS NZ :NH3+ -106:sc= 0.273 (180deg=-0.794) USER MOD Single : A 341 GLN : amide:sc= -1.61 K(o=-1.6,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= -1.57! C(o=-1.6!,f=-3.8!) USER MOD Single : A 352 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 296 8.300 10.556 -12.257 1.00 13.00 N ATOM 2 CA GLY A 296 9.064 11.811 -12.111 1.00 45.03 C ATOM 3 C GLY A 296 9.006 12.567 -13.396 1.00 73.23 C ATOM 4 O GLY A 296 7.915 12.935 -13.870 1.00 42.04 O ATOM 0 HA2 GLY A 296 8.650 12.412 -11.302 1.00 45.03 H new ATOM 0 HA3 GLY A 296 10.099 11.593 -11.849 1.00 45.03 H new ATOM 10 N SER A 297 10.160 12.740 -14.037 1.00 4.31 N ATOM 11 CA SER A 297 10.249 13.515 -15.245 1.00 51.25 C ATOM 12 C SER A 297 11.109 12.710 -16.162 1.00 12.22 C ATOM 13 O SER A 297 11.534 11.617 -15.810 1.00 23.54 O ATOM 14 CB SER A 297 10.912 14.900 -15.019 1.00 64.21 C ATOM 15 OG SER A 297 10.475 15.462 -13.772 1.00 32.31 O ATOM 0 H SER A 297 11.047 12.344 -13.726 1.00 4.31 H new ATOM 0 HA SER A 297 9.252 13.712 -15.638 1.00 51.25 H new ATOM 0 HB2 SER A 297 11.997 14.796 -15.019 1.00 64.21 H new ATOM 0 HB3 SER A 297 10.656 15.572 -15.838 1.00 64.21 H new ATOM 0 HG SER A 297 10.901 16.335 -13.639 1.00 32.31 H new ATOM 21 N LEU A 298 11.376 13.216 -17.375 1.00 35.12 N ATOM 22 CA LEU A 298 12.201 12.481 -18.300 1.00 5.41 C ATOM 23 C LEU A 298 13.632 12.784 -17.972 1.00 43.22 C ATOM 24 O LEU A 298 14.054 13.940 -18.040 1.00 4.21 O ATOM 25 CB LEU A 298 11.949 12.833 -19.796 1.00 35.24 C ATOM 26 CG LEU A 298 11.110 11.766 -20.534 1.00 1.43 C ATOM 27 CD1 LEU A 298 10.478 12.308 -21.824 1.00 72.15 C ATOM 28 CD2 LEU A 298 11.900 10.464 -20.781 1.00 74.34 C ATOM 0 H LEU A 298 11.034 14.113 -17.719 1.00 35.12 H new ATOM 0 HA LEU A 298 11.953 11.426 -18.188 1.00 5.41 H new ATOM 0 HB2 LEU A 298 11.439 13.794 -19.856 1.00 35.24 H new ATOM 0 HB3 LEU A 298 12.907 12.948 -20.303 1.00 35.24 H new ATOM 0 HG LEU A 298 10.287 11.511 -19.866 1.00 1.43 H new ATOM 0 HD11 LEU A 298 9.899 11.519 -22.305 1.00 72.15 H new ATOM 0 HD12 LEU A 298 9.822 13.145 -21.584 1.00 72.15 H new ATOM 0 HD13 LEU A 298 11.264 12.645 -22.500 1.00 72.15 H new ATOM 0 HD21 LEU A 298 11.266 9.747 -21.302 1.00 74.34 H new ATOM 0 HD22 LEU A 298 12.778 10.681 -21.389 1.00 74.34 H new ATOM 0 HD23 LEU A 298 12.215 10.043 -19.826 1.00 74.34 H new ATOM 40 N LYS A 299 14.381 11.736 -17.555 1.00 1.14 N ATOM 41 CA LYS A 299 15.814 11.814 -17.315 1.00 73.23 C ATOM 42 C LYS A 299 16.124 12.787 -16.206 1.00 2.00 C ATOM 43 O LYS A 299 16.302 13.990 -16.427 1.00 0.43 O ATOM 44 CB LYS A 299 16.659 12.179 -18.561 1.00 45.11 C ATOM 45 CG LYS A 299 16.666 11.083 -19.635 1.00 52.34 C ATOM 46 CD LYS A 299 17.591 9.908 -19.302 1.00 21.21 C ATOM 47 CE LYS A 299 17.195 8.619 -20.019 1.00 23.50 C ATOM 48 NZ LYS A 299 17.115 8.847 -21.478 1.00 54.31 N ATOM 0 H LYS A 299 13.990 10.811 -17.378 1.00 1.14 H new ATOM 0 HA LYS A 299 16.100 10.802 -17.029 1.00 73.23 H new ATOM 0 HB2 LYS A 299 16.272 13.101 -18.996 1.00 45.11 H new ATOM 0 HB3 LYS A 299 17.684 12.379 -18.250 1.00 45.11 H new ATOM 0 HG2 LYS A 299 15.651 10.710 -19.768 1.00 52.34 H new ATOM 0 HG3 LYS A 299 16.973 11.519 -20.586 1.00 52.34 H new ATOM 0 HD2 LYS A 299 18.614 10.169 -19.573 1.00 21.21 H new ATOM 0 HD3 LYS A 299 17.580 9.737 -18.226 1.00 21.21 H new ATOM 0 HE2 LYS A 299 17.924 7.837 -19.806 1.00 23.50 H new ATOM 0 HE3 LYS A 299 16.233 8.268 -19.646 1.00 23.50 H new ATOM 0 HZ1 LYS A 299 17.064 7.932 -21.970 1.00 54.31 H new ATOM 0 HZ2 LYS A 299 16.265 9.405 -21.696 1.00 54.31 H new ATOM 0 HZ3 LYS A 299 17.960 9.364 -21.795 1.00 54.31 H new ATOM 62 N SER A 300 16.194 12.282 -14.991 1.00 3.12 N ATOM 63 CA SER A 300 16.576 13.075 -13.866 1.00 12.04 C ATOM 64 C SER A 300 17.265 12.107 -12.973 1.00 55.23 C ATOM 65 O SER A 300 17.532 10.987 -13.390 1.00 3.53 O ATOM 66 CB SER A 300 15.397 13.733 -13.112 1.00 32.21 C ATOM 67 OG SER A 300 14.396 14.187 -14.040 1.00 2.40 O ATOM 0 H SER A 300 15.985 11.309 -14.767 1.00 3.12 H new ATOM 0 HA SER A 300 17.187 13.917 -14.190 1.00 12.04 H new ATOM 0 HB2 SER A 300 14.958 13.018 -12.416 1.00 32.21 H new ATOM 0 HB3 SER A 300 15.760 14.573 -12.520 1.00 32.21 H new ATOM 0 HG SER A 300 13.656 14.599 -13.547 1.00 2.40 H new ATOM 73 N ALA A 301 17.574 12.489 -11.729 1.00 41.01 N ATOM 74 CA ALA A 301 18.278 11.589 -10.840 1.00 13.55 C ATOM 75 C ALA A 301 17.350 10.470 -10.434 1.00 40.31 C ATOM 76 O ALA A 301 16.200 10.694 -10.088 1.00 4.35 O ATOM 77 CB ALA A 301 18.798 12.263 -9.555 1.00 62.14 C ATOM 0 H ALA A 301 17.348 13.400 -11.330 1.00 41.01 H new ATOM 0 HA ALA A 301 19.145 11.229 -11.394 1.00 13.55 H new ATOM 0 HB1 ALA A 301 19.314 11.525 -8.940 1.00 62.14 H new ATOM 0 HB2 ALA A 301 19.490 13.063 -9.818 1.00 62.14 H new ATOM 0 HB3 ALA A 301 17.959 12.678 -8.996 1.00 62.14 H new ATOM 83 N CYS A 302 17.867 9.210 -10.514 1.00 65.22 N ATOM 84 CA CYS A 302 17.173 7.995 -10.050 1.00 52.23 C ATOM 85 C CYS A 302 16.779 8.274 -8.629 1.00 22.22 C ATOM 86 O CYS A 302 17.640 8.372 -7.795 1.00 13.50 O ATOM 87 CB CYS A 302 18.153 6.760 -10.079 1.00 40.05 C ATOM 88 SG CYS A 302 17.473 5.157 -9.483 1.00 41.41 S ATOM 0 H CYS A 302 18.788 9.019 -10.908 1.00 65.22 H new ATOM 0 HA CYS A 302 16.317 7.761 -10.683 1.00 52.23 H new ATOM 0 HB2 CYS A 302 18.500 6.624 -11.103 1.00 40.05 H new ATOM 0 HB3 CYS A 302 19.028 7.005 -9.476 1.00 40.05 H new ATOM 93 N VAL A 303 15.456 8.257 -8.331 1.00 60.23 N ATOM 94 CA VAL A 303 14.943 8.766 -7.051 1.00 1.53 C ATOM 95 C VAL A 303 15.357 7.863 -5.916 1.00 55.21 C ATOM 96 O VAL A 303 15.305 8.241 -4.763 1.00 64.33 O ATOM 97 CB VAL A 303 13.425 8.901 -7.021 1.00 31.35 C ATOM 98 CG1 VAL A 303 12.973 9.726 -8.235 1.00 0.51 C ATOM 99 CG2 VAL A 303 12.771 7.504 -7.002 1.00 21.51 C ATOM 0 H VAL A 303 14.737 7.898 -8.959 1.00 60.23 H new ATOM 0 HA VAL A 303 15.375 9.760 -6.937 1.00 1.53 H new ATOM 0 HB VAL A 303 13.110 9.420 -6.116 1.00 31.35 H new ATOM 0 HG11 VAL A 303 11.888 9.828 -8.222 1.00 0.51 H new ATOM 0 HG12 VAL A 303 13.431 10.714 -8.194 1.00 0.51 H new ATOM 0 HG13 VAL A 303 13.279 9.222 -9.152 1.00 0.51 H new ATOM 0 HG21 VAL A 303 11.686 7.610 -6.981 1.00 21.51 H new ATOM 0 HG22 VAL A 303 13.064 6.953 -7.896 1.00 21.51 H new ATOM 0 HG23 VAL A 303 13.100 6.960 -6.116 1.00 21.51 H new ATOM 109 N VAL A 304 15.785 6.642 -6.244 1.00 52.44 N ATOM 110 CA VAL A 304 16.117 5.695 -5.223 1.00 52.14 C ATOM 111 C VAL A 304 17.572 5.873 -4.823 1.00 61.13 C ATOM 112 O VAL A 304 17.869 5.958 -3.647 1.00 1.01 O ATOM 113 CB VAL A 304 15.887 4.241 -5.662 1.00 44.11 C ATOM 114 CG1 VAL A 304 15.358 3.443 -4.457 1.00 12.12 C ATOM 115 CG2 VAL A 304 14.884 4.209 -6.843 1.00 53.52 C ATOM 0 H VAL A 304 15.903 6.306 -7.200 1.00 52.44 H new ATOM 0 HA VAL A 304 15.456 5.888 -4.378 1.00 52.14 H new ATOM 0 HB VAL A 304 16.819 3.790 -6.002 1.00 44.11 H new ATOM 0 HG11 VAL A 304 15.189 2.407 -4.752 1.00 12.12 H new ATOM 0 HG12 VAL A 304 16.089 3.476 -3.650 1.00 12.12 H new ATOM 0 HG13 VAL A 304 14.420 3.880 -4.115 1.00 12.12 H new ATOM 0 HG21 VAL A 304 14.721 3.177 -7.154 1.00 53.52 H new ATOM 0 HG22 VAL A 304 13.937 4.647 -6.528 1.00 53.52 H new ATOM 0 HG23 VAL A 304 15.288 4.781 -7.679 1.00 53.52 H new ATOM 125 N CYS A 305 18.512 5.949 -5.805 1.00 63.32 N ATOM 126 CA CYS A 305 19.938 5.993 -5.434 1.00 41.05 C ATOM 127 C CYS A 305 20.412 7.430 -5.365 1.00 43.21 C ATOM 128 O CYS A 305 21.215 7.771 -4.524 1.00 62.24 O ATOM 129 CB CYS A 305 20.885 5.130 -6.349 1.00 12.01 C ATOM 130 SG CYS A 305 20.818 5.542 -8.137 1.00 4.10 S ATOM 0 H CYS A 305 18.316 5.979 -6.806 1.00 63.32 H new ATOM 0 HA CYS A 305 20.004 5.530 -4.450 1.00 41.05 H new ATOM 0 HB2 CYS A 305 21.911 5.251 -6.001 1.00 12.01 H new ATOM 0 HB3 CYS A 305 20.628 4.078 -6.223 1.00 12.01 H new ATOM 135 N LEU A 306 19.980 8.258 -6.365 1.00 53.52 N ATOM 136 CA LEU A 306 20.249 9.708 -6.425 1.00 3.23 C ATOM 137 C LEU A 306 21.600 9.928 -7.056 1.00 5.21 C ATOM 138 O LEU A 306 22.050 11.052 -7.193 1.00 41.44 O ATOM 139 CB LEU A 306 20.186 10.507 -5.071 1.00 40.53 C ATOM 140 CG LEU A 306 18.759 10.691 -4.488 1.00 54.35 C ATOM 141 CD1 LEU A 306 17.732 11.181 -5.519 1.00 61.24 C ATOM 142 CD2 LEU A 306 18.257 9.464 -3.708 1.00 13.34 C ATOM 0 H LEU A 306 19.430 7.921 -7.155 1.00 53.52 H new ATOM 0 HA LEU A 306 19.425 10.110 -7.015 1.00 3.23 H new ATOM 0 HB2 LEU A 306 20.801 9.992 -4.333 1.00 40.53 H new ATOM 0 HB3 LEU A 306 20.630 11.491 -5.225 1.00 40.53 H new ATOM 0 HG LEU A 306 18.861 11.496 -3.760 1.00 54.35 H new ATOM 0 HD11 LEU A 306 16.758 11.287 -5.041 1.00 61.24 H new ATOM 0 HD12 LEU A 306 18.048 12.146 -5.917 1.00 61.24 H new ATOM 0 HD13 LEU A 306 17.660 10.459 -6.332 1.00 61.24 H new ATOM 0 HD21 LEU A 306 17.254 9.660 -3.328 1.00 13.34 H new ATOM 0 HD22 LEU A 306 18.232 8.598 -4.369 1.00 13.34 H new ATOM 0 HD23 LEU A 306 18.929 9.264 -2.873 1.00 13.34 H new ATOM 154 N SER A 307 22.259 8.847 -7.477 1.00 32.34 N ATOM 155 CA SER A 307 23.569 8.951 -8.076 1.00 55.11 C ATOM 156 C SER A 307 23.399 8.856 -9.569 1.00 41.01 C ATOM 157 O SER A 307 23.808 9.736 -10.308 1.00 35.33 O ATOM 158 CB SER A 307 24.503 7.794 -7.613 1.00 0.31 C ATOM 159 OG SER A 307 23.742 6.810 -6.883 1.00 34.14 O ATOM 0 H SER A 307 21.898 7.895 -7.410 1.00 32.34 H new ATOM 0 HA SER A 307 24.021 9.896 -7.775 1.00 55.11 H new ATOM 0 HB2 SER A 307 24.978 7.331 -8.478 1.00 0.31 H new ATOM 0 HB3 SER A 307 25.301 8.189 -6.984 1.00 0.31 H new ATOM 0 HG SER A 307 24.335 6.084 -6.596 1.00 34.14 H new ATOM 165 N SER A 308 22.723 7.791 -10.031 1.00 61.13 N ATOM 166 CA SER A 308 22.589 7.566 -11.457 1.00 35.51 C ATOM 167 C SER A 308 21.305 8.186 -11.872 1.00 24.53 C ATOM 168 O SER A 308 20.414 8.400 -11.035 1.00 72.34 O ATOM 169 CB SER A 308 22.542 6.071 -11.856 1.00 4.12 C ATOM 170 OG SER A 308 21.798 5.289 -10.904 1.00 60.11 O ATOM 0 H SER A 308 22.273 7.091 -9.441 1.00 61.13 H new ATOM 0 HA SER A 308 23.465 7.995 -11.944 1.00 35.51 H new ATOM 0 HB2 SER A 308 22.088 5.972 -12.842 1.00 4.12 H new ATOM 0 HB3 SER A 308 23.558 5.682 -11.932 1.00 4.12 H new ATOM 0 HG SER A 308 21.256 4.625 -11.379 1.00 60.11 H new ATOM 176 N PHE A 309 21.150 8.436 -13.180 1.00 52.35 N ATOM 177 CA PHE A 309 19.918 8.989 -13.702 1.00 15.31 C ATOM 178 C PHE A 309 18.898 7.881 -13.729 1.00 53.04 C ATOM 179 O PHE A 309 19.227 6.695 -13.582 1.00 11.05 O ATOM 180 CB PHE A 309 20.034 9.548 -15.149 1.00 5.01 C ATOM 181 CG PHE A 309 20.790 10.852 -15.298 1.00 44.54 C ATOM 182 CD1 PHE A 309 21.405 11.156 -16.496 1.00 3.12 C ATOM 183 CD2 PHE A 309 20.877 11.774 -14.259 1.00 33.21 C ATOM 184 CE1 PHE A 309 22.086 12.337 -16.655 1.00 54.11 C ATOM 185 CE2 PHE A 309 21.562 12.950 -14.430 1.00 40.42 C ATOM 186 CZ PHE A 309 22.166 13.231 -15.625 1.00 60.35 C ATOM 0 H PHE A 309 21.867 8.261 -13.884 1.00 52.35 H new ATOM 0 HA PHE A 309 19.645 9.823 -13.056 1.00 15.31 H new ATOM 0 HB2 PHE A 309 20.521 8.796 -15.770 1.00 5.01 H new ATOM 0 HB3 PHE A 309 19.028 9.687 -15.545 1.00 5.01 H new ATOM 0 HD1 PHE A 309 21.350 10.457 -17.317 1.00 3.12 H new ATOM 0 HD2 PHE A 309 20.402 11.562 -13.312 1.00 33.21 H new ATOM 0 HE1 PHE A 309 22.561 12.561 -17.599 1.00 54.11 H new ATOM 0 HE2 PHE A 309 21.625 13.658 -13.617 1.00 40.42 H new ATOM 0 HZ PHE A 309 22.705 14.158 -15.754 1.00 60.35 H new ATOM 196 N LYS A 310 17.620 8.260 -13.814 1.00 32.30 N ATOM 197 CA LYS A 310 16.552 7.307 -13.927 1.00 34.31 C ATOM 198 C LYS A 310 16.429 6.961 -15.371 1.00 32.34 C ATOM 199 O LYS A 310 16.456 7.831 -16.234 1.00 3.50 O ATOM 200 CB LYS A 310 15.192 7.839 -13.444 1.00 2.30 C ATOM 201 CG LYS A 310 15.001 9.330 -13.683 1.00 31.25 C ATOM 202 CD LYS A 310 13.569 9.706 -14.000 1.00 21.25 C ATOM 203 CE LYS A 310 13.028 10.880 -13.170 1.00 52.41 C ATOM 204 NZ LYS A 310 13.267 10.674 -11.719 1.00 3.02 N ATOM 0 H LYS A 310 17.315 9.233 -13.805 1.00 32.30 H new ATOM 0 HA LYS A 310 16.797 6.454 -13.294 1.00 34.31 H new ATOM 0 HB2 LYS A 310 14.397 7.293 -13.952 1.00 2.30 H new ATOM 0 HB3 LYS A 310 15.089 7.634 -12.378 1.00 2.30 H new ATOM 0 HG2 LYS A 310 15.326 9.877 -12.798 1.00 31.25 H new ATOM 0 HG3 LYS A 310 15.643 9.644 -14.506 1.00 31.25 H new ATOM 0 HD2 LYS A 310 13.497 9.960 -15.058 1.00 21.25 H new ATOM 0 HD3 LYS A 310 12.932 8.836 -13.837 1.00 21.25 H new ATOM 0 HE2 LYS A 310 13.506 11.805 -13.491 1.00 52.41 H new ATOM 0 HE3 LYS A 310 11.959 10.994 -13.352 1.00 52.41 H new ATOM 0 HZ1 LYS A 310 12.368 10.763 -11.203 1.00 3.02 H new ATOM 0 HZ2 LYS A 310 13.663 9.725 -11.564 1.00 3.02 H new ATOM 0 HZ3 LYS A 310 13.937 11.390 -11.373 1.00 3.02 H new ATOM 218 N SER A 311 16.317 5.671 -15.648 1.00 11.14 N ATOM 219 CA SER A 311 16.231 5.199 -16.989 1.00 22.54 C ATOM 220 C SER A 311 15.223 4.076 -17.003 1.00 32.23 C ATOM 221 O SER A 311 15.383 3.096 -17.712 1.00 4.30 O ATOM 222 CB SER A 311 17.595 4.664 -17.517 1.00 2.43 C ATOM 223 OG SER A 311 18.678 5.213 -16.742 1.00 54.22 O ATOM 0 H SER A 311 16.285 4.937 -14.940 1.00 11.14 H new ATOM 0 HA SER A 311 15.938 6.025 -17.637 1.00 22.54 H new ATOM 0 HB2 SER A 311 17.613 3.576 -17.461 1.00 2.43 H new ATOM 0 HB3 SER A 311 17.717 4.931 -18.567 1.00 2.43 H new ATOM 0 HG SER A 311 19.512 4.755 -16.975 1.00 54.22 H new ATOM 229 N CYS A 312 14.165 4.192 -16.199 1.00 60.44 N ATOM 230 CA CYS A 312 13.176 3.141 -16.164 1.00 23.43 C ATOM 231 C CYS A 312 11.868 3.766 -15.862 1.00 41.45 C ATOM 232 O CYS A 312 11.696 4.442 -14.816 1.00 72.14 O ATOM 233 CB CYS A 312 13.425 2.053 -15.081 1.00 35.42 C ATOM 234 SG CYS A 312 14.801 0.933 -15.490 1.00 32.40 S ATOM 0 H CYS A 312 13.983 4.984 -15.583 1.00 60.44 H new ATOM 0 HA CYS A 312 13.218 2.643 -17.133 1.00 23.43 H new ATOM 0 HB2 CYS A 312 13.632 2.539 -14.128 1.00 35.42 H new ATOM 0 HB3 CYS A 312 12.516 1.467 -14.949 1.00 35.42 H new ATOM 0 HG CYS A 312 15.471 1.417 -16.493 1.00 32.40 H new ATOM 240 N VAL A 313 10.911 3.549 -16.791 1.00 23.14 N ATOM 241 CA VAL A 313 9.570 3.988 -16.634 1.00 42.01 C ATOM 242 C VAL A 313 8.875 2.798 -16.076 1.00 22.21 C ATOM 243 O VAL A 313 9.006 1.692 -16.600 1.00 72.23 O ATOM 244 CB VAL A 313 8.893 4.359 -17.948 1.00 21.50 C ATOM 245 CG1 VAL A 313 7.614 5.170 -17.653 1.00 43.32 C ATOM 246 CG2 VAL A 313 9.893 5.132 -18.832 1.00 23.42 C ATOM 0 H VAL A 313 11.083 3.056 -17.667 1.00 23.14 H new ATOM 0 HA VAL A 313 9.536 4.885 -16.015 1.00 42.01 H new ATOM 0 HB VAL A 313 8.592 3.466 -18.496 1.00 21.50 H new ATOM 0 HG11 VAL A 313 7.128 5.437 -18.591 1.00 43.32 H new ATOM 0 HG12 VAL A 313 6.933 4.569 -17.050 1.00 43.32 H new ATOM 0 HG13 VAL A 313 7.876 6.078 -17.109 1.00 43.32 H new ATOM 0 HG21 VAL A 313 9.414 5.400 -19.774 1.00 23.42 H new ATOM 0 HG22 VAL A 313 10.211 6.038 -18.315 1.00 23.42 H new ATOM 0 HG23 VAL A 313 10.762 4.505 -19.032 1.00 23.42 H new ATOM 256 N PHE A 314 8.153 2.980 -14.994 1.00 53.34 N ATOM 257 CA PHE A 314 7.479 1.881 -14.380 1.00 71.45 C ATOM 258 C PHE A 314 6.104 1.861 -14.931 1.00 24.23 C ATOM 259 O PHE A 314 5.318 2.834 -14.738 1.00 41.12 O ATOM 260 CB PHE A 314 7.415 1.994 -12.845 1.00 11.23 C ATOM 261 CG PHE A 314 8.730 1.699 -12.156 1.00 73.15 C ATOM 262 CD1 PHE A 314 9.118 2.418 -11.040 1.00 13.03 C ATOM 263 CD2 PHE A 314 9.574 0.692 -12.621 1.00 54.02 C ATOM 264 CE1 PHE A 314 10.308 2.137 -10.410 1.00 25.54 C ATOM 265 CE2 PHE A 314 10.757 0.424 -11.989 1.00 54.21 C ATOM 266 CZ PHE A 314 11.125 1.141 -10.888 1.00 0.53 C ATOM 0 H PHE A 314 8.023 3.879 -14.529 1.00 53.34 H new ATOM 0 HA PHE A 314 8.029 0.965 -14.595 1.00 71.45 H new ATOM 0 HB2 PHE A 314 7.093 3.000 -12.577 1.00 11.23 H new ATOM 0 HB3 PHE A 314 6.657 1.306 -12.471 1.00 11.23 H new ATOM 0 HD1 PHE A 314 8.483 3.205 -10.661 1.00 13.03 H new ATOM 0 HD2 PHE A 314 9.291 0.117 -13.490 1.00 54.02 H new ATOM 0 HE1 PHE A 314 10.601 2.701 -9.537 1.00 25.54 H new ATOM 0 HE2 PHE A 314 11.402 -0.358 -12.363 1.00 54.21 H new ATOM 0 HZ PHE A 314 12.060 0.925 -10.392 1.00 0.53 H new ATOM 276 N LEU A 315 5.742 0.742 -15.618 1.00 41.41 N ATOM 277 CA LEU A 315 4.438 0.653 -16.198 1.00 40.44 C ATOM 278 C LEU A 315 3.540 0.291 -15.076 1.00 63.54 C ATOM 279 O LEU A 315 3.530 -0.841 -14.578 1.00 3.15 O ATOM 280 CB LEU A 315 4.339 -0.487 -17.248 1.00 75.44 C ATOM 281 CG LEU A 315 3.395 -0.190 -18.430 1.00 13.32 C ATOM 282 CD1 LEU A 315 3.663 -1.125 -19.618 1.00 22.15 C ATOM 283 CD2 LEU A 315 1.913 -0.214 -18.014 1.00 54.14 C ATOM 0 H LEU A 315 6.339 -0.072 -15.763 1.00 41.41 H new ATOM 0 HA LEU A 315 4.190 1.590 -16.696 1.00 40.44 H new ATOM 0 HB2 LEU A 315 5.336 -0.691 -17.639 1.00 75.44 H new ATOM 0 HB3 LEU A 315 4.000 -1.395 -16.749 1.00 75.44 H new ATOM 0 HG LEU A 315 3.614 0.826 -18.757 1.00 13.32 H new ATOM 0 HD11 LEU A 315 2.978 -0.885 -20.431 1.00 22.15 H new ATOM 0 HD12 LEU A 315 4.690 -0.996 -19.958 1.00 22.15 H new ATOM 0 HD13 LEU A 315 3.511 -2.159 -19.309 1.00 22.15 H new ATOM 0 HD21 LEU A 315 1.288 0.001 -18.881 1.00 54.14 H new ATOM 0 HD22 LEU A 315 1.661 -1.199 -17.621 1.00 54.14 H new ATOM 0 HD23 LEU A 315 1.739 0.539 -17.246 1.00 54.14 H new ATOM 295 N GLU A 316 2.930 1.290 -14.546 1.00 75.43 N ATOM 296 CA GLU A 316 1.865 1.161 -13.662 1.00 15.30 C ATOM 297 C GLU A 316 1.005 2.300 -14.018 1.00 13.31 C ATOM 298 O GLU A 316 -0.103 2.204 -14.491 1.00 42.02 O ATOM 299 CB GLU A 316 2.255 1.196 -12.169 1.00 32.43 C ATOM 300 CG GLU A 316 3.781 1.261 -11.939 1.00 3.53 C ATOM 301 CD GLU A 316 4.049 1.742 -10.542 1.00 41.11 C ATOM 302 OE1 GLU A 316 4.897 1.171 -9.874 1.00 20.13 O ATOM 303 OE2 GLU A 316 3.450 2.793 -10.143 1.00 71.34 O ATOM 0 H GLU A 316 3.184 2.259 -14.736 1.00 75.43 H new ATOM 0 HA GLU A 316 1.389 0.185 -13.760 1.00 15.30 H new ATOM 0 HB2 GLU A 316 1.786 2.060 -11.698 1.00 32.43 H new ATOM 0 HB3 GLU A 316 1.857 0.309 -11.676 1.00 32.43 H new ATOM 0 HG2 GLU A 316 4.226 0.277 -12.089 1.00 3.53 H new ATOM 0 HG3 GLU A 316 4.242 1.933 -12.663 1.00 3.53 H new ATOM 310 N CYS A 317 1.652 3.451 -13.757 1.00 53.42 N ATOM 311 CA CYS A 317 1.103 4.780 -13.808 1.00 43.05 C ATOM 312 C CYS A 317 1.874 5.588 -14.849 1.00 2.30 C ATOM 313 O CYS A 317 1.422 6.646 -15.246 1.00 52.42 O ATOM 314 CB CYS A 317 1.393 5.478 -12.455 1.00 31.35 C ATOM 315 SG CYS A 317 3.093 4.987 -11.927 1.00 24.30 S ATOM 0 H CYS A 317 2.636 3.456 -13.489 1.00 53.42 H new ATOM 0 HA CYS A 317 0.038 4.725 -14.033 1.00 43.05 H new ATOM 0 HB2 CYS A 317 1.322 6.561 -12.560 1.00 31.35 H new ATOM 0 HB3 CYS A 317 0.659 5.182 -11.706 1.00 31.35 H new ATOM 320 N GLY A 318 3.088 5.116 -15.302 1.00 52.45 N ATOM 321 CA GLY A 318 3.872 5.928 -16.234 1.00 33.10 C ATOM 322 C GLY A 318 4.832 6.831 -15.487 1.00 72.43 C ATOM 323 O GLY A 318 5.253 7.853 -16.017 1.00 4.22 O ATOM 0 H GLY A 318 3.505 4.223 -15.039 1.00 52.45 H new ATOM 0 HA2 GLY A 318 4.428 5.278 -16.910 1.00 33.10 H new ATOM 0 HA3 GLY A 318 3.204 6.530 -16.849 1.00 33.10 H new ATOM 327 N HIS A 319 5.193 6.491 -14.221 1.00 34.30 N ATOM 328 CA HIS A 319 6.169 7.311 -13.485 1.00 21.20 C ATOM 329 C HIS A 319 7.523 6.836 -13.942 1.00 62.21 C ATOM 330 O HIS A 319 7.731 5.627 -14.071 1.00 54.24 O ATOM 331 CB HIS A 319 6.111 7.143 -11.931 1.00 11.44 C ATOM 332 CG HIS A 319 5.337 8.231 -11.164 1.00 55.21 C ATOM 333 ND1 HIS A 319 4.523 7.871 -10.086 1.00 71.11 N ATOM 334 CD2 HIS A 319 5.319 9.582 -11.330 1.00 41.04 C ATOM 335 CE1 HIS A 319 4.042 9.010 -9.630 1.00 32.43 C ATOM 336 NE2 HIS A 319 4.491 10.074 -10.341 1.00 24.34 N ATOM 0 H HIS A 319 4.834 5.684 -13.711 1.00 34.30 H new ATOM 0 HA HIS A 319 5.956 8.360 -13.689 1.00 21.20 H new ATOM 0 HB2 HIS A 319 5.659 6.177 -11.706 1.00 11.44 H new ATOM 0 HB3 HIS A 319 7.132 7.114 -11.550 1.00 11.44 H new ATOM 0 HD2 HIS A 319 5.845 10.152 -12.082 1.00 41.04 H new ATOM 0 HE1 HIS A 319 3.369 9.087 -8.789 1.00 32.43 H new ATOM 0 HE2 HIS A 319 4.260 11.054 -10.176 1.00 24.34 H new ATOM 344 N VAL A 320 8.476 7.758 -14.107 1.00 23.20 N ATOM 345 CA VAL A 320 9.824 7.403 -14.517 1.00 11.20 C ATOM 346 C VAL A 320 10.612 7.721 -13.304 1.00 73.52 C ATOM 347 O VAL A 320 10.579 8.854 -12.860 1.00 5.12 O ATOM 348 CB VAL A 320 10.354 8.257 -15.678 1.00 73.32 C ATOM 349 CG1 VAL A 320 11.563 7.549 -16.316 1.00 52.12 C ATOM 350 CG2 VAL A 320 9.216 8.488 -16.695 1.00 42.11 C ATOM 0 H VAL A 320 8.331 8.757 -13.961 1.00 23.20 H new ATOM 0 HA VAL A 320 9.875 6.372 -14.867 1.00 11.20 H new ATOM 0 HB VAL A 320 10.688 9.231 -15.321 1.00 73.32 H new ATOM 0 HG11 VAL A 320 11.943 8.151 -17.141 1.00 52.12 H new ATOM 0 HG12 VAL A 320 12.346 7.422 -15.569 1.00 52.12 H new ATOM 0 HG13 VAL A 320 11.257 6.572 -16.691 1.00 52.12 H new ATOM 0 HG21 VAL A 320 9.585 9.094 -17.523 1.00 42.11 H new ATOM 0 HG22 VAL A 320 8.868 7.528 -17.075 1.00 42.11 H new ATOM 0 HG23 VAL A 320 8.391 9.006 -16.206 1.00 42.11 H new ATOM 360 N CYS A 321 11.291 6.733 -12.663 1.00 65.43 N ATOM 361 CA CYS A 321 11.948 7.118 -11.422 1.00 0.22 C ATOM 362 C CYS A 321 13.153 6.267 -11.090 1.00 51.53 C ATOM 363 O CYS A 321 13.988 6.691 -10.268 1.00 51.33 O ATOM 364 CB CYS A 321 10.982 7.111 -10.199 1.00 24.13 C ATOM 365 SG CYS A 321 9.496 6.069 -10.456 1.00 22.10 S ATOM 0 H CYS A 321 11.386 5.762 -12.959 1.00 65.43 H new ATOM 0 HA CYS A 321 12.284 8.138 -11.608 1.00 0.22 H new ATOM 0 HB2 CYS A 321 11.521 6.754 -9.321 1.00 24.13 H new ATOM 0 HB3 CYS A 321 10.668 8.133 -9.986 1.00 24.13 H new ATOM 0 HG CYS A 321 9.857 4.832 -10.624 1.00 22.10 H new ATOM 371 N SER A 322 13.332 5.071 -11.686 1.00 34.11 N ATOM 372 CA SER A 322 14.430 4.232 -11.235 1.00 22.42 C ATOM 373 C SER A 322 15.414 4.056 -12.333 1.00 62.14 C ATOM 374 O SER A 322 15.242 4.533 -13.412 1.00 5.32 O ATOM 375 CB SER A 322 14.025 2.847 -10.679 1.00 51.01 C ATOM 376 OG SER A 322 15.032 2.378 -9.749 1.00 44.43 O ATOM 0 H SER A 322 12.759 4.690 -12.439 1.00 34.11 H new ATOM 0 HA SER A 322 14.864 4.767 -10.390 1.00 22.42 H new ATOM 0 HB2 SER A 322 13.059 2.914 -10.179 1.00 51.01 H new ATOM 0 HB3 SER A 322 13.913 2.135 -11.497 1.00 51.01 H new ATOM 0 HG SER A 322 14.770 1.501 -9.398 1.00 44.43 H new ATOM 382 N CYS A 323 16.504 3.346 -12.009 1.00 5.25 N ATOM 383 CA CYS A 323 17.593 3.114 -12.923 1.00 1.21 C ATOM 384 C CYS A 323 17.671 1.632 -12.977 1.00 1.33 C ATOM 385 O CYS A 323 17.358 0.987 -11.966 1.00 5.33 O ATOM 386 CB CYS A 323 18.985 3.772 -12.475 1.00 11.13 C ATOM 387 SG CYS A 323 19.948 2.890 -11.166 1.00 60.31 S ATOM 0 H CYS A 323 16.640 2.919 -11.093 1.00 5.25 H new ATOM 0 HA CYS A 323 17.412 3.584 -13.890 1.00 1.21 H new ATOM 0 HB2 CYS A 323 19.617 3.861 -13.358 1.00 11.13 H new ATOM 0 HB3 CYS A 323 18.784 4.784 -12.123 1.00 11.13 H new ATOM 392 N THR A 324 18.086 1.069 -14.125 1.00 73.12 N ATOM 393 CA THR A 324 18.076 -0.373 -14.381 1.00 14.10 C ATOM 394 C THR A 324 18.733 -1.145 -13.257 1.00 0.50 C ATOM 395 O THR A 324 18.155 -2.084 -12.717 1.00 11.40 O ATOM 396 CB THR A 324 18.776 -0.719 -15.684 1.00 24.21 C ATOM 397 OG1 THR A 324 18.747 0.416 -16.565 1.00 40.33 O ATOM 398 CG2 THR A 324 18.066 -1.923 -16.332 1.00 22.34 C ATOM 0 H THR A 324 18.442 1.615 -14.909 1.00 73.12 H new ATOM 0 HA THR A 324 17.027 -0.660 -14.450 1.00 14.10 H new ATOM 0 HB THR A 324 19.816 -0.980 -15.490 1.00 24.21 H new ATOM 0 HG1 THR A 324 19.201 0.191 -17.404 1.00 40.33 H new ATOM 0 HG21 THR A 324 18.563 -2.178 -17.268 1.00 22.34 H new ATOM 0 HG22 THR A 324 18.107 -2.777 -15.656 1.00 22.34 H new ATOM 0 HG23 THR A 324 17.025 -1.668 -16.531 1.00 22.34 H new ATOM 406 N GLU A 325 19.932 -0.709 -12.846 1.00 32.31 N ATOM 407 CA GLU A 325 20.706 -1.435 -11.865 1.00 3.13 C ATOM 408 C GLU A 325 20.022 -1.414 -10.522 1.00 73.11 C ATOM 409 O GLU A 325 20.127 -2.341 -9.778 1.00 53.33 O ATOM 410 CB GLU A 325 22.117 -0.869 -11.711 1.00 13.20 C ATOM 411 CG GLU A 325 22.892 -0.868 -13.052 1.00 20.24 C ATOM 412 CD GLU A 325 22.929 0.550 -13.610 1.00 23.20 C ATOM 413 OE1 GLU A 325 21.836 1.203 -13.633 1.00 0.43 O ATOM 414 OE2 GLU A 325 24.025 1.004 -14.014 1.00 1.21 O ATOM 0 H GLU A 325 20.375 0.144 -13.186 1.00 32.31 H new ATOM 0 HA GLU A 325 20.782 -2.460 -12.227 1.00 3.13 H new ATOM 0 HB2 GLU A 325 22.059 0.149 -11.325 1.00 13.20 H new ATOM 0 HB3 GLU A 325 22.665 -1.458 -10.976 1.00 13.20 H new ATOM 0 HG2 GLU A 325 23.906 -1.238 -12.900 1.00 20.24 H new ATOM 0 HG3 GLU A 325 22.411 -1.539 -13.764 1.00 20.24 H new ATOM 421 N CYS A 326 19.291 -0.332 -10.210 1.00 11.31 N ATOM 422 CA CYS A 326 18.605 -0.243 -8.903 1.00 73.35 C ATOM 423 C CYS A 326 17.539 -1.297 -8.874 1.00 74.41 C ATOM 424 O CYS A 326 17.387 -2.016 -7.903 1.00 34.23 O ATOM 425 CB CYS A 326 17.863 1.107 -8.662 1.00 12.13 C ATOM 426 SG CYS A 326 18.715 2.269 -7.565 1.00 12.13 S ATOM 0 H CYS A 326 19.159 0.473 -10.822 1.00 11.31 H new ATOM 0 HA CYS A 326 19.379 -0.353 -8.143 1.00 73.35 H new ATOM 0 HB2 CYS A 326 17.703 1.592 -9.625 1.00 12.13 H new ATOM 0 HB3 CYS A 326 16.879 0.893 -8.245 1.00 12.13 H new ATOM 431 N TYR A 327 16.772 -1.370 -9.971 1.00 1.14 N ATOM 432 CA TYR A 327 15.625 -2.240 -10.051 1.00 53.51 C ATOM 433 C TYR A 327 16.114 -3.665 -9.984 1.00 40.03 C ATOM 434 O TYR A 327 15.905 -4.365 -8.992 1.00 65.21 O ATOM 435 CB TYR A 327 14.852 -2.011 -11.398 1.00 2.03 C ATOM 436 CG TYR A 327 13.675 -2.913 -11.674 1.00 15.30 C ATOM 437 CD1 TYR A 327 13.799 -3.985 -12.538 1.00 15.14 C ATOM 438 CD2 TYR A 327 12.449 -2.673 -11.090 1.00 22.40 C ATOM 439 CE1 TYR A 327 12.727 -4.792 -12.807 1.00 25.31 C ATOM 440 CE2 TYR A 327 11.378 -3.486 -11.360 1.00 42.42 C ATOM 441 CZ TYR A 327 11.518 -4.546 -12.218 1.00 12.12 C ATOM 442 OH TYR A 327 10.416 -5.375 -12.497 1.00 32.23 O ATOM 0 H TYR A 327 16.941 -0.824 -10.816 1.00 1.14 H new ATOM 0 HA TYR A 327 14.943 -2.027 -9.227 1.00 53.51 H new ATOM 0 HB2 TYR A 327 14.500 -0.980 -11.415 1.00 2.03 H new ATOM 0 HB3 TYR A 327 15.561 -2.119 -12.218 1.00 2.03 H new ATOM 0 HD1 TYR A 327 14.751 -4.188 -13.005 1.00 15.14 H new ATOM 0 HD2 TYR A 327 12.331 -1.838 -10.415 1.00 22.40 H new ATOM 0 HE1 TYR A 327 12.836 -5.625 -13.486 1.00 25.31 H new ATOM 0 HE2 TYR A 327 10.423 -3.291 -10.896 1.00 42.42 H new ATOM 0 HH TYR A 327 9.635 -5.061 -11.995 1.00 32.23 H new ATOM 452 N ARG A 328 16.938 -4.032 -10.981 1.00 14.23 N ATOM 453 CA ARG A 328 17.358 -5.401 -11.210 1.00 1.44 C ATOM 454 C ARG A 328 18.117 -5.910 -10.006 1.00 2.01 C ATOM 455 O ARG A 328 17.999 -7.085 -9.627 1.00 33.14 O ATOM 456 CB ARG A 328 18.237 -5.503 -12.494 1.00 60.12 C ATOM 457 CG ARG A 328 18.994 -6.820 -12.700 1.00 4.13 C ATOM 458 CD ARG A 328 20.516 -6.688 -12.460 1.00 42.02 C ATOM 459 NE ARG A 328 20.818 -7.187 -11.074 1.00 74.14 N ATOM 460 CZ ARG A 328 21.650 -8.254 -10.858 1.00 61.41 C ATOM 461 NH1 ARG A 328 22.278 -8.876 -11.914 1.00 40.03 N ATOM 462 NH2 ARG A 328 21.851 -8.703 -9.576 1.00 74.14 N ATOM 0 H ARG A 328 17.328 -3.369 -11.651 1.00 14.23 H new ATOM 0 HA ARG A 328 16.473 -6.019 -11.359 1.00 1.44 H new ATOM 0 HB2 ARG A 328 17.596 -5.338 -13.360 1.00 60.12 H new ATOM 0 HB3 ARG A 328 18.964 -4.691 -12.476 1.00 60.12 H new ATOM 0 HG2 ARG A 328 18.590 -7.574 -12.025 1.00 4.13 H new ATOM 0 HG3 ARG A 328 18.822 -7.176 -13.716 1.00 4.13 H new ATOM 0 HD2 ARG A 328 21.069 -7.265 -13.201 1.00 42.02 H new ATOM 0 HD3 ARG A 328 20.829 -5.649 -12.567 1.00 42.02 H new ATOM 0 HE ARG A 328 20.392 -6.719 -10.274 1.00 74.14 H new ATOM 0 HH11 ARG A 328 22.125 -8.543 -12.866 1.00 40.03 H new ATOM 0 HH12 ARG A 328 22.896 -9.670 -11.744 1.00 40.03 H new ATOM 0 HH21 ARG A 328 21.383 -8.243 -8.795 1.00 74.14 H new ATOM 0 HH22 ARG A 328 22.468 -9.497 -9.404 1.00 74.14 H new ATOM 476 N ALA A 329 18.850 -5.022 -9.338 1.00 34.12 N ATOM 477 CA ALA A 329 19.621 -5.433 -8.202 1.00 32.33 C ATOM 478 C ALA A 329 18.690 -5.705 -7.064 1.00 20.24 C ATOM 479 O ALA A 329 18.696 -6.795 -6.525 1.00 24.43 O ATOM 480 CB ALA A 329 20.630 -4.371 -7.718 1.00 35.35 C ATOM 0 H ALA A 329 18.916 -4.031 -9.571 1.00 34.12 H new ATOM 0 HA ALA A 329 20.183 -6.313 -8.515 1.00 32.33 H new ATOM 0 HB1 ALA A 329 21.176 -4.754 -6.856 1.00 35.35 H new ATOM 0 HB2 ALA A 329 21.332 -4.144 -8.520 1.00 35.35 H new ATOM 0 HB3 ALA A 329 20.096 -3.464 -7.435 1.00 35.35 H new ATOM 486 N LEU A 330 17.858 -4.716 -6.708 1.00 55.31 N ATOM 487 CA LEU A 330 17.041 -4.780 -5.485 1.00 12.04 C ATOM 488 C LEU A 330 15.928 -5.754 -5.688 1.00 34.21 C ATOM 489 O LEU A 330 15.034 -5.480 -6.472 1.00 64.45 O ATOM 490 CB LEU A 330 16.396 -3.394 -5.159 1.00 2.21 C ATOM 491 CG LEU A 330 15.404 -3.371 -3.968 1.00 11.05 C ATOM 492 CD1 LEU A 330 15.937 -4.097 -2.731 1.00 21.32 C ATOM 493 CD2 LEU A 330 14.947 -1.942 -3.623 1.00 35.24 C ATOM 0 H LEU A 330 17.732 -3.861 -7.249 1.00 55.31 H new ATOM 0 HA LEU A 330 17.693 -5.080 -4.665 1.00 12.04 H new ATOM 0 HB2 LEU A 330 17.196 -2.682 -4.954 1.00 2.21 H new ATOM 0 HB3 LEU A 330 15.874 -3.040 -6.048 1.00 2.21 H new ATOM 0 HG LEU A 330 14.528 -3.927 -4.303 1.00 11.05 H new ATOM 0 HD11 LEU A 330 15.197 -4.046 -1.932 1.00 21.32 H new ATOM 0 HD12 LEU A 330 16.133 -5.140 -2.978 1.00 21.32 H new ATOM 0 HD13 LEU A 330 16.861 -3.623 -2.401 1.00 21.32 H new ATOM 0 HD21 LEU A 330 14.253 -1.975 -2.783 1.00 35.24 H new ATOM 0 HD22 LEU A 330 15.814 -1.338 -3.355 1.00 35.24 H new ATOM 0 HD23 LEU A 330 14.450 -1.500 -4.487 1.00 35.24 H new ATOM 505 N PRO A 331 15.917 -6.919 -5.020 1.00 43.45 N ATOM 506 CA PRO A 331 14.767 -7.754 -5.163 1.00 14.23 C ATOM 507 C PRO A 331 13.792 -7.566 -4.036 1.00 32.41 C ATOM 508 O PRO A 331 14.089 -7.822 -2.860 1.00 72.24 O ATOM 509 CB PRO A 331 15.391 -9.160 -5.080 1.00 20.10 C ATOM 510 CG PRO A 331 16.664 -8.995 -4.214 1.00 42.23 C ATOM 511 CD PRO A 331 16.931 -7.482 -4.127 1.00 11.40 C ATOM 0 HA PRO A 331 14.203 -7.550 -6.073 1.00 14.23 H new ATOM 0 HB2 PRO A 331 14.699 -9.871 -4.629 1.00 20.10 H new ATOM 0 HB3 PRO A 331 15.637 -9.540 -6.072 1.00 20.10 H new ATOM 0 HG2 PRO A 331 16.518 -9.422 -3.222 1.00 42.23 H new ATOM 0 HG3 PRO A 331 17.510 -9.514 -4.663 1.00 42.23 H new ATOM 0 HD2 PRO A 331 16.823 -7.111 -3.108 1.00 11.40 H new ATOM 0 HD3 PRO A 331 17.940 -7.231 -4.452 1.00 11.40 H new ATOM 519 N GLU A 332 12.642 -7.040 -4.381 1.00 4.04 N ATOM 520 CA GLU A 332 11.462 -7.043 -3.581 1.00 11.33 C ATOM 521 C GLU A 332 10.433 -7.013 -4.639 1.00 1.43 C ATOM 522 O GLU A 332 10.785 -6.897 -5.820 1.00 51.41 O ATOM 523 CB GLU A 332 11.307 -5.783 -2.674 1.00 42.54 C ATOM 524 CG GLU A 332 12.269 -4.648 -3.034 1.00 31.41 C ATOM 525 CD GLU A 332 11.785 -3.372 -2.378 1.00 12.14 C ATOM 526 OE1 GLU A 332 11.461 -2.408 -3.122 1.00 22.30 O ATOM 527 OE2 GLU A 332 11.721 -3.336 -1.124 1.00 13.13 O ATOM 0 H GLU A 332 12.507 -6.575 -5.279 1.00 4.04 H new ATOM 0 HA GLU A 332 11.431 -7.878 -2.881 1.00 11.33 H new ATOM 0 HB2 GLU A 332 10.283 -5.417 -2.746 1.00 42.54 H new ATOM 0 HB3 GLU A 332 11.470 -6.071 -1.635 1.00 42.54 H new ATOM 0 HG2 GLU A 332 13.278 -4.887 -2.697 1.00 31.41 H new ATOM 0 HG3 GLU A 332 12.316 -4.522 -4.116 1.00 31.41 H new ATOM 534 N PRO A 333 9.166 -7.071 -4.305 1.00 43.41 N ATOM 535 CA PRO A 333 8.213 -6.514 -5.230 1.00 0.21 C ATOM 536 C PRO A 333 8.323 -5.027 -5.033 1.00 55.03 C ATOM 537 O PRO A 333 8.095 -4.531 -3.927 1.00 73.34 O ATOM 538 CB PRO A 333 6.842 -7.015 -4.743 1.00 53.41 C ATOM 539 CG PRO A 333 7.063 -7.462 -3.285 1.00 33.34 C ATOM 540 CD PRO A 333 8.571 -7.731 -3.132 1.00 61.22 C ATOM 0 HA PRO A 333 8.363 -6.779 -6.277 1.00 0.21 H new ATOM 0 HB2 PRO A 333 6.092 -6.226 -4.803 1.00 53.41 H new ATOM 0 HB3 PRO A 333 6.485 -7.842 -5.357 1.00 53.41 H new ATOM 0 HG2 PRO A 333 6.734 -6.690 -2.589 1.00 33.34 H new ATOM 0 HG3 PRO A 333 6.485 -8.359 -3.063 1.00 33.34 H new ATOM 0 HD2 PRO A 333 8.959 -7.318 -2.201 1.00 61.22 H new ATOM 0 HD3 PRO A 333 8.788 -8.799 -3.121 1.00 61.22 H new ATOM 548 N LYS A 334 8.668 -4.285 -6.072 1.00 63.34 N ATOM 549 CA LYS A 334 8.957 -2.895 -5.866 1.00 42.33 C ATOM 550 C LYS A 334 7.714 -2.111 -6.037 1.00 74.32 C ATOM 551 O LYS A 334 6.840 -2.451 -6.853 1.00 41.42 O ATOM 552 CB LYS A 334 10.041 -2.353 -6.818 1.00 1.23 C ATOM 553 CG LYS A 334 11.458 -2.779 -6.409 1.00 33.31 C ATOM 554 CD LYS A 334 12.291 -3.297 -7.569 1.00 65.11 C ATOM 555 CE LYS A 334 12.217 -4.810 -7.715 1.00 3.41 C ATOM 556 NZ LYS A 334 12.997 -5.244 -8.881 1.00 42.02 N ATOM 0 H LYS A 334 8.750 -4.617 -7.033 1.00 63.34 H new ATOM 0 HA LYS A 334 9.348 -2.794 -4.853 1.00 42.33 H new ATOM 0 HB2 LYS A 334 9.839 -2.705 -7.830 1.00 1.23 H new ATOM 0 HB3 LYS A 334 9.986 -1.265 -6.842 1.00 1.23 H new ATOM 0 HG2 LYS A 334 11.968 -1.929 -5.956 1.00 33.31 H new ATOM 0 HG3 LYS A 334 11.390 -3.554 -5.646 1.00 33.31 H new ATOM 0 HD2 LYS A 334 11.950 -2.830 -8.493 1.00 65.11 H new ATOM 0 HD3 LYS A 334 13.330 -3.000 -7.426 1.00 65.11 H new ATOM 0 HE2 LYS A 334 12.599 -5.289 -6.814 1.00 3.41 H new ATOM 0 HE3 LYS A 334 11.179 -5.122 -7.826 1.00 3.41 H new ATOM 0 HZ1 LYS A 334 12.885 -6.270 -9.011 1.00 42.02 H new ATOM 0 HZ2 LYS A 334 12.658 -4.748 -9.730 1.00 42.02 H new ATOM 0 HZ3 LYS A 334 14.002 -5.022 -8.729 1.00 42.02 H new ATOM 570 N LYS A 335 7.599 -1.061 -5.221 1.00 53.21 N ATOM 571 CA LYS A 335 6.496 -0.169 -5.295 1.00 2.12 C ATOM 572 C LYS A 335 7.025 1.059 -5.945 1.00 32.14 C ATOM 573 O LYS A 335 8.213 1.356 -5.873 1.00 5.11 O ATOM 574 CB LYS A 335 5.917 0.234 -3.909 1.00 11.43 C ATOM 575 CG LYS A 335 5.579 -0.964 -3.004 1.00 64.11 C ATOM 576 CD LYS A 335 4.286 -1.694 -3.413 1.00 32.13 C ATOM 577 CE LYS A 335 4.519 -3.130 -3.907 1.00 3.03 C ATOM 578 NZ LYS A 335 5.260 -3.911 -2.893 1.00 3.33 N ATOM 0 H LYS A 335 8.280 -0.826 -4.499 1.00 53.21 H new ATOM 0 HA LYS A 335 5.685 -0.657 -5.835 1.00 2.12 H new ATOM 0 HB2 LYS A 335 6.637 0.872 -3.397 1.00 11.43 H new ATOM 0 HB3 LYS A 335 5.016 0.828 -4.061 1.00 11.43 H new ATOM 0 HG2 LYS A 335 6.409 -1.671 -3.025 1.00 64.11 H new ATOM 0 HG3 LYS A 335 5.482 -0.617 -1.975 1.00 64.11 H new ATOM 0 HD2 LYS A 335 3.607 -1.718 -2.560 1.00 32.13 H new ATOM 0 HD3 LYS A 335 3.790 -1.124 -4.199 1.00 32.13 H new ATOM 0 HE2 LYS A 335 3.562 -3.609 -4.116 1.00 3.03 H new ATOM 0 HE3 LYS A 335 5.078 -3.113 -4.842 1.00 3.03 H new ATOM 0 HZ1 LYS A 335 6.242 -4.044 -3.207 1.00 3.33 H new ATOM 0 HZ2 LYS A 335 5.252 -3.400 -1.987 1.00 3.33 H new ATOM 0 HZ3 LYS A 335 4.807 -4.839 -2.771 1.00 3.33 H new ATOM 592 N CYS A 336 6.144 1.785 -6.632 1.00 61.41 N ATOM 593 CA CYS A 336 6.477 3.043 -7.269 1.00 71.43 C ATOM 594 C CYS A 336 6.975 3.976 -6.187 1.00 61.25 C ATOM 595 O CYS A 336 6.210 4.377 -5.367 1.00 34.14 O ATOM 596 CB CYS A 336 5.236 3.711 -7.912 1.00 32.33 C ATOM 597 SG CYS A 336 5.644 4.758 -9.354 1.00 64.11 S ATOM 0 H CYS A 336 5.171 1.507 -6.759 1.00 61.41 H new ATOM 0 HA CYS A 336 7.216 2.854 -8.048 1.00 71.43 H new ATOM 0 HB2 CYS A 336 4.534 2.936 -8.221 1.00 32.33 H new ATOM 0 HB3 CYS A 336 4.730 4.319 -7.162 1.00 32.33 H new ATOM 602 N PRO A 337 8.220 4.397 -6.234 1.00 34.42 N ATOM 603 CA PRO A 337 8.784 5.258 -5.173 1.00 21.33 C ATOM 604 C PRO A 337 8.086 6.591 -5.019 1.00 73.22 C ATOM 605 O PRO A 337 8.221 7.252 -4.003 1.00 63.54 O ATOM 606 CB PRO A 337 10.255 5.463 -5.579 1.00 45.24 C ATOM 607 CG PRO A 337 10.310 5.093 -7.058 1.00 3.53 C ATOM 608 CD PRO A 337 9.205 4.071 -7.277 1.00 43.01 C ATOM 0 HA PRO A 337 8.660 4.781 -4.201 1.00 21.33 H new ATOM 0 HB2 PRO A 337 10.569 6.494 -5.418 1.00 45.24 H new ATOM 0 HB3 PRO A 337 10.919 4.832 -4.989 1.00 45.24 H new ATOM 0 HG2 PRO A 337 10.159 5.971 -7.686 1.00 3.53 H new ATOM 0 HG3 PRO A 337 11.283 4.678 -7.320 1.00 3.53 H new ATOM 0 HD2 PRO A 337 8.774 4.154 -8.275 1.00 43.01 H new ATOM 0 HD3 PRO A 337 9.576 3.051 -7.173 1.00 43.01 H new ATOM 616 N ILE A 338 7.329 7.008 -6.055 1.00 63.43 N ATOM 617 CA ILE A 338 6.654 8.278 -6.010 1.00 31.43 C ATOM 618 C ILE A 338 5.214 8.090 -5.548 1.00 42.52 C ATOM 619 O ILE A 338 4.694 8.926 -4.847 1.00 3.14 O ATOM 620 CB ILE A 338 6.615 8.998 -7.358 1.00 53.34 C ATOM 621 CG1 ILE A 338 7.815 8.633 -8.257 1.00 0.02 C ATOM 622 CG2 ILE A 338 6.552 10.511 -7.103 1.00 15.10 C ATOM 623 CD1 ILE A 338 9.128 9.249 -7.787 1.00 54.23 C ATOM 0 H ILE A 338 7.184 6.476 -6.913 1.00 63.43 H new ATOM 0 HA ILE A 338 7.227 8.889 -5.313 1.00 31.43 H new ATOM 0 HB ILE A 338 5.727 8.674 -7.900 1.00 53.34 H new ATOM 0 HG12 ILE A 338 7.921 7.549 -8.288 1.00 0.02 H new ATOM 0 HG13 ILE A 338 7.611 8.963 -9.276 1.00 0.02 H new ATOM 0 HG21 ILE A 338 6.524 11.040 -8.056 1.00 15.10 H new ATOM 0 HG22 ILE A 338 5.655 10.746 -6.530 1.00 15.10 H new ATOM 0 HG23 ILE A 338 7.433 10.822 -6.541 1.00 15.10 H new ATOM 0 HD11 ILE A 338 9.931 8.953 -8.462 1.00 54.23 H new ATOM 0 HD12 ILE A 338 9.039 10.335 -7.783 1.00 54.23 H new ATOM 0 HD13 ILE A 338 9.354 8.899 -6.780 1.00 54.23 H new ATOM 635 N CYS A 339 4.538 6.966 -5.939 1.00 23.50 N ATOM 636 CA CYS A 339 3.083 6.889 -5.693 1.00 62.11 C ATOM 637 C CYS A 339 2.717 5.621 -4.926 1.00 22.20 C ATOM 638 O CYS A 339 1.564 5.390 -4.640 1.00 44.02 O ATOM 639 CB CYS A 339 2.247 6.966 -7.015 1.00 74.34 C ATOM 640 SG CYS A 339 2.311 5.438 -8.009 1.00 23.45 S ATOM 0 H CYS A 339 4.954 6.155 -6.396 1.00 23.50 H new ATOM 0 HA CYS A 339 2.831 7.759 -5.087 1.00 62.11 H new ATOM 0 HB2 CYS A 339 1.209 7.184 -6.766 1.00 74.34 H new ATOM 0 HB3 CYS A 339 2.612 7.797 -7.618 1.00 74.34 H new ATOM 645 N ARG A 340 3.708 4.752 -4.672 1.00 0.23 N ATOM 646 CA ARG A 340 3.540 3.525 -3.884 1.00 44.01 C ATOM 647 C ARG A 340 2.664 2.469 -4.556 1.00 41.33 C ATOM 648 O ARG A 340 2.291 1.496 -3.928 1.00 40.31 O ATOM 649 CB ARG A 340 3.106 3.739 -2.418 1.00 2.21 C ATOM 650 CG ARG A 340 4.094 4.617 -1.632 1.00 62.24 C ATOM 651 CD ARG A 340 5.497 3.973 -1.491 1.00 24.30 C ATOM 652 NE ARG A 340 6.546 5.005 -1.808 1.00 41.44 N ATOM 653 CZ ARG A 340 7.144 5.738 -0.811 1.00 5.34 C ATOM 654 NH1 ARG A 340 6.726 5.614 0.487 1.00 52.12 N ATOM 655 NH2 ARG A 340 8.155 6.607 -1.121 1.00 23.13 N ATOM 0 H ARG A 340 4.660 4.885 -5.013 1.00 0.23 H new ATOM 0 HA ARG A 340 4.557 3.136 -3.847 1.00 44.01 H new ATOM 0 HB2 ARG A 340 2.119 4.202 -2.399 1.00 2.21 H new ATOM 0 HB3 ARG A 340 3.014 2.771 -1.925 1.00 2.21 H new ATOM 0 HG2 ARG A 340 4.191 5.581 -2.131 1.00 62.24 H new ATOM 0 HG3 ARG A 340 3.688 4.812 -0.639 1.00 62.24 H new ATOM 0 HD2 ARG A 340 5.637 3.593 -0.479 1.00 24.30 H new ATOM 0 HD3 ARG A 340 5.590 3.122 -2.166 1.00 24.30 H new ATOM 0 HE ARG A 340 6.817 5.163 -2.778 1.00 41.44 H new ATOM 0 HH11 ARG A 340 5.966 4.974 0.719 1.00 52.12 H new ATOM 0 HH12 ARG A 340 7.175 6.161 1.222 1.00 52.12 H new ATOM 0 HH21 ARG A 340 8.462 6.708 -2.089 1.00 23.13 H new ATOM 0 HH22 ARG A 340 8.602 7.153 -0.384 1.00 23.13 H new ATOM 669 N GLN A 341 2.329 2.623 -5.857 1.00 53.15 N ATOM 670 CA GLN A 341 1.581 1.563 -6.552 1.00 53.13 C ATOM 671 C GLN A 341 2.567 0.483 -6.871 1.00 72.12 C ATOM 672 O GLN A 341 3.727 0.782 -7.138 1.00 65.32 O ATOM 673 CB GLN A 341 1.036 2.002 -7.911 1.00 23.21 C ATOM 674 CG GLN A 341 -0.180 2.915 -7.843 1.00 72.31 C ATOM 675 CD GLN A 341 -0.310 3.590 -9.205 1.00 1.15 C ATOM 676 OE1 GLN A 341 0.710 3.794 -9.909 1.00 63.43 O ATOM 677 NE2 GLN A 341 -1.537 3.946 -9.594 1.00 64.15 N ATOM 0 H GLN A 341 2.556 3.439 -6.425 1.00 53.15 H new ATOM 0 HA GLN A 341 0.752 1.271 -5.908 1.00 53.13 H new ATOM 0 HB2 GLN A 341 1.828 2.514 -8.457 1.00 23.21 H new ATOM 0 HB3 GLN A 341 0.775 1.114 -8.487 1.00 23.21 H new ATOM 0 HG2 GLN A 341 -1.078 2.344 -7.609 1.00 72.31 H new ATOM 0 HG3 GLN A 341 -0.060 3.658 -7.055 1.00 72.31 H new ATOM 0 HE21 GLN A 341 -2.337 3.761 -8.990 1.00 64.15 H new ATOM 0 HE22 GLN A 341 -1.674 4.403 -10.495 1.00 64.15 H new ATOM 686 N ALA A 342 2.112 -0.790 -6.861 1.00 72.33 N ATOM 687 CA ALA A 342 2.955 -1.927 -7.250 1.00 40.11 C ATOM 688 C ALA A 342 3.385 -1.736 -8.691 1.00 22.54 C ATOM 689 O ALA A 342 2.683 -1.086 -9.493 1.00 31.10 O ATOM 690 CB ALA A 342 2.234 -3.286 -7.155 1.00 13.42 C ATOM 0 H ALA A 342 1.164 -1.049 -6.587 1.00 72.33 H new ATOM 0 HA ALA A 342 3.797 -1.948 -6.558 1.00 40.11 H new ATOM 0 HB1 ALA A 342 2.915 -4.081 -7.457 1.00 13.42 H new ATOM 0 HB2 ALA A 342 1.911 -3.455 -6.128 1.00 13.42 H new ATOM 0 HB3 ALA A 342 1.365 -3.284 -7.813 1.00 13.42 H new ATOM 696 N ILE A 343 4.546 -2.292 -9.046 1.00 72.15 N ATOM 697 CA ILE A 343 5.045 -2.191 -10.387 1.00 61.45 C ATOM 698 C ILE A 343 4.503 -3.363 -11.157 1.00 71.34 C ATOM 699 O ILE A 343 4.628 -4.522 -10.735 1.00 40.31 O ATOM 700 CB ILE A 343 6.562 -2.166 -10.433 1.00 13.03 C ATOM 701 CG1 ILE A 343 7.073 -0.904 -9.722 1.00 23.30 C ATOM 702 CG2 ILE A 343 7.055 -2.226 -11.896 1.00 44.44 C ATOM 703 CD1 ILE A 343 8.545 -0.934 -9.440 1.00 45.33 C ATOM 0 H ILE A 343 5.147 -2.815 -8.409 1.00 72.15 H new ATOM 0 HA ILE A 343 4.717 -1.251 -10.830 1.00 61.45 H new ATOM 0 HB ILE A 343 6.958 -3.040 -9.916 1.00 13.03 H new ATOM 0 HG12 ILE A 343 6.846 -0.033 -10.336 1.00 23.30 H new ATOM 0 HG13 ILE A 343 6.533 -0.781 -8.783 1.00 23.30 H new ATOM 0 HG21 ILE A 343 8.145 -2.207 -11.914 1.00 44.44 H new ATOM 0 HG22 ILE A 343 6.700 -3.145 -12.362 1.00 44.44 H new ATOM 0 HG23 ILE A 343 6.668 -1.368 -12.446 1.00 44.44 H new ATOM 0 HD11 ILE A 343 8.838 -0.012 -8.937 1.00 45.33 H new ATOM 0 HD12 ILE A 343 8.776 -1.786 -8.800 1.00 45.33 H new ATOM 0 HD13 ILE A 343 9.093 -1.026 -10.378 1.00 45.33 H new ATOM 715 N THR A 344 3.890 -3.063 -12.319 1.00 34.40 N ATOM 716 CA THR A 344 3.283 -4.067 -13.129 1.00 43.12 C ATOM 717 C THR A 344 4.270 -4.420 -14.239 1.00 75.41 C ATOM 718 O THR A 344 4.341 -5.570 -14.680 1.00 13.44 O ATOM 719 CB THR A 344 1.965 -3.557 -13.706 1.00 21.25 C ATOM 720 OG1 THR A 344 0.933 -3.611 -12.718 1.00 55.15 O ATOM 721 CG2 THR A 344 1.554 -4.348 -14.944 1.00 63.24 C ATOM 0 H THR A 344 3.817 -2.118 -12.696 1.00 34.40 H new ATOM 0 HA THR A 344 3.053 -4.954 -12.539 1.00 43.12 H new ATOM 0 HB THR A 344 2.114 -2.520 -14.006 1.00 21.25 H new ATOM 0 HG1 THR A 344 0.095 -3.279 -13.102 1.00 55.15 H new ATOM 0 HG21 THR A 344 0.612 -3.958 -15.329 1.00 63.24 H new ATOM 0 HG22 THR A 344 2.325 -4.253 -15.709 1.00 63.24 H new ATOM 0 HG23 THR A 344 1.432 -5.399 -14.680 1.00 63.24 H new ATOM 729 N ARG A 345 5.086 -3.449 -14.663 1.00 24.51 N ATOM 730 CA ARG A 345 6.039 -3.710 -15.717 1.00 0.13 C ATOM 731 C ARG A 345 7.040 -2.617 -15.697 1.00 24.52 C ATOM 732 O ARG A 345 6.877 -1.629 -14.993 1.00 52.01 O ATOM 733 CB ARG A 345 5.418 -3.810 -17.143 1.00 40.52 C ATOM 734 CG ARG A 345 5.568 -5.201 -17.766 1.00 75.14 C ATOM 735 CD ARG A 345 5.415 -5.195 -19.286 1.00 64.11 C ATOM 736 NE ARG A 345 5.305 -6.610 -19.738 1.00 73.23 N ATOM 737 CZ ARG A 345 5.188 -6.904 -21.069 1.00 42.14 C ATOM 738 NH1 ARG A 345 5.173 -5.895 -22.003 1.00 41.43 N ATOM 739 NH2 ARG A 345 5.078 -8.209 -21.466 1.00 4.44 N ATOM 0 H ARG A 345 5.098 -2.498 -14.294 1.00 24.51 H new ATOM 0 HA ARG A 345 6.478 -4.688 -15.520 1.00 0.13 H new ATOM 0 HB2 ARG A 345 4.360 -3.554 -17.091 1.00 40.52 H new ATOM 0 HB3 ARG A 345 5.893 -3.074 -17.792 1.00 40.52 H new ATOM 0 HG2 ARG A 345 6.546 -5.605 -17.507 1.00 75.14 H new ATOM 0 HG3 ARG A 345 4.822 -5.869 -17.334 1.00 75.14 H new ATOM 0 HD2 ARG A 345 4.530 -4.631 -19.579 1.00 64.11 H new ATOM 0 HD3 ARG A 345 6.271 -4.710 -19.754 1.00 64.11 H new ATOM 0 HE ARG A 345 5.317 -7.364 -19.051 1.00 73.23 H new ATOM 0 HH11 ARG A 345 5.249 -4.923 -21.705 1.00 41.43 H new ATOM 0 HH12 ARG A 345 5.086 -6.119 -22.994 1.00 41.43 H new ATOM 0 HH21 ARG A 345 5.084 -8.956 -20.771 1.00 4.44 H new ATOM 0 HH22 ARG A 345 4.990 -8.435 -22.457 1.00 4.44 H new ATOM 753 N VAL A 346 8.110 -2.785 -16.479 1.00 34.30 N ATOM 754 CA VAL A 346 9.145 -1.808 -16.527 1.00 20.22 C ATOM 755 C VAL A 346 9.484 -1.602 -17.978 1.00 64.23 C ATOM 756 O VAL A 346 9.620 -2.559 -18.748 1.00 41.44 O ATOM 757 CB VAL A 346 10.395 -2.200 -15.720 1.00 22.53 C ATOM 758 CG1 VAL A 346 10.895 -3.610 -16.124 1.00 40.31 C ATOM 759 CG2 VAL A 346 11.476 -1.110 -15.859 1.00 44.52 C ATOM 0 H VAL A 346 8.261 -3.596 -17.079 1.00 34.30 H new ATOM 0 HA VAL A 346 8.789 -0.889 -16.062 1.00 20.22 H new ATOM 0 HB VAL A 346 10.139 -2.263 -14.662 1.00 22.53 H new ATOM 0 HG11 VAL A 346 11.779 -3.864 -15.539 1.00 40.31 H new ATOM 0 HG12 VAL A 346 10.111 -4.343 -15.933 1.00 40.31 H new ATOM 0 HG13 VAL A 346 11.147 -3.617 -17.184 1.00 40.31 H new ATOM 0 HG21 VAL A 346 12.357 -1.396 -15.284 1.00 44.52 H new ATOM 0 HG22 VAL A 346 11.748 -0.999 -16.909 1.00 44.52 H new ATOM 0 HG23 VAL A 346 11.089 -0.163 -15.482 1.00 44.52 H new ATOM 769 N ILE A 347 9.509 -0.332 -18.392 1.00 42.12 N ATOM 770 CA ILE A 347 9.917 0.039 -19.711 1.00 60.23 C ATOM 771 C ILE A 347 11.262 0.707 -19.521 1.00 63.13 C ATOM 772 O ILE A 347 11.344 1.834 -19.020 1.00 53.02 O ATOM 773 CB ILE A 347 8.969 1.048 -20.357 1.00 15.40 C ATOM 774 CG1 ILE A 347 7.491 0.621 -20.177 1.00 12.44 C ATOM 775 CG2 ILE A 347 9.338 1.193 -21.843 1.00 1.03 C ATOM 776 CD1 ILE A 347 6.720 1.522 -19.230 1.00 60.32 C ATOM 0 H ILE A 347 9.242 0.457 -17.803 1.00 42.12 H new ATOM 0 HA ILE A 347 9.935 -0.836 -20.361 1.00 60.23 H new ATOM 0 HB ILE A 347 9.077 2.015 -19.866 1.00 15.40 H new ATOM 0 HG12 ILE A 347 6.999 0.620 -21.149 1.00 12.44 H new ATOM 0 HG13 ILE A 347 7.458 -0.402 -19.802 1.00 12.44 H new ATOM 0 HG21 ILE A 347 8.668 1.911 -22.316 1.00 1.03 H new ATOM 0 HG22 ILE A 347 10.366 1.544 -21.930 1.00 1.03 H new ATOM 0 HG23 ILE A 347 9.242 0.227 -22.338 1.00 1.03 H new ATOM 0 HD11 ILE A 347 5.692 1.169 -19.148 1.00 60.32 H new ATOM 0 HD12 ILE A 347 7.190 1.503 -18.247 1.00 60.32 H new ATOM 0 HD13 ILE A 347 6.723 2.542 -19.615 1.00 60.32 H new ATOM 788 N PRO A 348 12.341 0.017 -19.871 1.00 41.14 N ATOM 789 CA PRO A 348 13.661 0.566 -19.694 1.00 43.13 C ATOM 790 C PRO A 348 14.062 1.507 -20.765 1.00 35.30 C ATOM 791 O PRO A 348 13.583 1.442 -21.911 1.00 25.30 O ATOM 792 CB PRO A 348 14.589 -0.654 -19.685 1.00 53.14 C ATOM 793 CG PRO A 348 13.864 -1.694 -20.533 1.00 51.43 C ATOM 794 CD PRO A 348 12.371 -1.345 -20.453 1.00 51.21 C ATOM 0 HA PRO A 348 13.705 1.156 -18.779 1.00 43.13 H new ATOM 0 HB2 PRO A 348 15.566 -0.412 -20.104 1.00 53.14 H new ATOM 0 HB3 PRO A 348 14.758 -1.017 -18.671 1.00 53.14 H new ATOM 0 HG2 PRO A 348 14.215 -1.669 -21.565 1.00 51.43 H new ATOM 0 HG3 PRO A 348 14.049 -2.700 -20.158 1.00 51.43 H new ATOM 0 HD2 PRO A 348 11.905 -1.366 -21.438 1.00 51.21 H new ATOM 0 HD3 PRO A 348 11.830 -2.056 -19.829 1.00 51.21 H new ATOM 802 N LEU A 349 14.965 2.394 -20.401 1.00 53.12 N ATOM 803 CA LEU A 349 15.563 3.316 -21.289 1.00 21.10 C ATOM 804 C LEU A 349 16.955 2.843 -21.181 1.00 60.53 C ATOM 805 O LEU A 349 17.400 2.563 -20.070 1.00 41.33 O ATOM 806 CB LEU A 349 15.514 4.793 -20.779 1.00 23.30 C ATOM 807 CG LEU A 349 14.186 5.562 -21.061 1.00 64.42 C ATOM 808 CD1 LEU A 349 12.924 4.686 -21.030 1.00 32.20 C ATOM 809 CD2 LEU A 349 14.022 6.808 -20.173 1.00 2.21 C ATOM 0 H LEU A 349 15.301 2.480 -19.442 1.00 53.12 H new ATOM 0 HA LEU A 349 15.094 3.343 -22.273 1.00 21.10 H new ATOM 0 HB2 LEU A 349 15.691 4.793 -19.703 1.00 23.30 H new ATOM 0 HB3 LEU A 349 16.336 5.344 -21.237 1.00 23.30 H new ATOM 0 HG LEU A 349 14.288 5.898 -22.093 1.00 64.42 H new ATOM 0 HD11 LEU A 349 12.049 5.302 -21.236 1.00 32.20 H new ATOM 0 HD12 LEU A 349 13.005 3.905 -21.786 1.00 32.20 H new ATOM 0 HD13 LEU A 349 12.822 4.229 -20.046 1.00 32.20 H new ATOM 0 HD21 LEU A 349 13.081 7.304 -20.412 1.00 2.21 H new ATOM 0 HD22 LEU A 349 14.019 6.510 -19.125 1.00 2.21 H new ATOM 0 HD23 LEU A 349 14.850 7.494 -20.353 1.00 2.21 H new ATOM 821 N TYR A 350 17.698 2.725 -22.273 1.00 0.44 N ATOM 822 CA TYR A 350 19.025 2.177 -22.139 1.00 72.32 C ATOM 823 C TYR A 350 19.930 3.328 -21.855 1.00 45.21 C ATOM 824 O TYR A 350 20.364 4.072 -22.751 1.00 60.21 O ATOM 825 CB TYR A 350 19.527 1.448 -23.412 1.00 4.41 C ATOM 826 CG TYR A 350 18.576 0.396 -23.943 1.00 12.51 C ATOM 827 CD1 TYR A 350 18.090 0.477 -25.231 1.00 71.23 C ATOM 828 CD2 TYR A 350 18.179 -0.671 -23.150 1.00 43.54 C ATOM 829 CE1 TYR A 350 17.235 -0.472 -25.722 1.00 4.31 C ATOM 830 CE2 TYR A 350 17.315 -1.626 -23.648 1.00 43.21 C ATOM 831 CZ TYR A 350 16.846 -1.524 -24.936 1.00 41.13 C ATOM 832 OH TYR A 350 15.971 -2.502 -25.459 1.00 34.11 O ATOM 0 H TYR A 350 17.416 2.990 -23.217 1.00 0.44 H new ATOM 0 HA TYR A 350 19.014 1.430 -21.346 1.00 72.32 H new ATOM 0 HB2 TYR A 350 19.706 2.187 -24.193 1.00 4.41 H new ATOM 0 HB3 TYR A 350 20.485 0.977 -23.193 1.00 4.41 H new ATOM 0 HD1 TYR A 350 18.389 1.301 -25.861 1.00 71.23 H new ATOM 0 HD2 TYR A 350 18.548 -0.755 -22.138 1.00 43.54 H new ATOM 0 HE1 TYR A 350 16.865 -0.391 -26.734 1.00 4.31 H new ATOM 0 HE2 TYR A 350 17.008 -2.453 -23.025 1.00 43.21 H new ATOM 0 HH TYR A 350 15.793 -3.181 -24.775 1.00 34.11 H new ATOM 842 N ASN A 351 20.207 3.500 -20.575 1.00 24.45 N ATOM 843 CA ASN A 351 21.051 4.534 -20.081 1.00 20.31 C ATOM 844 C ASN A 351 21.485 3.968 -18.784 1.00 73.13 C ATOM 845 O ASN A 351 20.825 3.067 -18.264 1.00 32.42 O ATOM 846 CB ASN A 351 20.295 5.869 -19.811 1.00 63.41 C ATOM 847 CG ASN A 351 21.204 7.091 -19.750 1.00 2.31 C ATOM 848 OD1 ASN A 351 22.423 6.969 -19.645 1.00 43.02 O ATOM 849 ND2 ASN A 351 20.608 8.292 -19.803 1.00 13.00 N ATOM 0 H ASN A 351 19.832 2.898 -19.842 1.00 24.45 H new ATOM 0 HA ASN A 351 21.841 4.788 -20.788 1.00 20.31 H new ATOM 0 HB2 ASN A 351 19.552 6.019 -20.594 1.00 63.41 H new ATOM 0 HB3 ASN A 351 19.753 5.784 -18.869 1.00 63.41 H new ATOM 0 HD21 ASN A 351 21.169 9.142 -19.756 1.00 13.00 H new ATOM 0 HD22 ASN A 351 19.594 8.355 -19.890 1.00 13.00 H new ATOM 856 N SER A 352 22.569 4.452 -18.221 1.00 51.13 N ATOM 857 CA SER A 352 23.021 3.922 -16.961 1.00 4.42 C ATOM 858 C SER A 352 22.255 4.677 -15.858 1.00 21.35 C ATOM 859 O SER A 352 21.529 4.017 -15.055 1.00 0.00 O ATOM 860 CB SER A 352 24.532 4.134 -16.742 1.00 40.32 C ATOM 861 OG SER A 352 25.269 3.709 -17.905 1.00 71.31 O ATOM 862 OXT SER A 352 22.381 5.943 -15.813 1.00 0.00 O ATOM 0 H SER A 352 23.144 5.199 -18.610 1.00 51.13 H new ATOM 0 HA SER A 352 22.839 2.848 -16.943 1.00 4.42 H new ATOM 0 HB2 SER A 352 24.733 5.186 -16.540 1.00 40.32 H new ATOM 0 HB3 SER A 352 24.862 3.572 -15.868 1.00 40.32 H new ATOM 0 HG SER A 352 26.227 3.850 -17.755 1.00 71.31 H new TER 868 SER A 352 HETATM 869 ZN ZN A 500 19.390 3.897 -9.073 1.00 0.00 ZN HETATM 870 ZN ZN A 501 3.674 5.921 -9.870 1.00 0.00 ZN