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 312 CYS SG : rot 23:sc= 0.2 USER MOD Set 1.2: A 324 THR OG1 : rot 140:sc= 0.0858 USER MOD Set 2.1: A 299 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.228) USER MOD Set 2.2: A 351 ASN : amide:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 297 SER OG : rot 180:sc=-0.00389 USER MOD Single : A 300 SER OG : rot 180:sc= 0 USER MOD Single : A 307 SER OG : rot 180:sc= -0.0136 USER MOD Single : A 308 SER OG : rot 146:sc= 0.543 USER MOD Single : A 310 LYS NZ :NH3+ -171:sc= -1.11 (180deg=-1.32!) USER MOD Single : A 311 SER OG : rot 180:sc= -0.035 USER MOD Single : A 321 CYS SG : rot 80:sc= -0.451 USER MOD Single : A 322 SER OG : rot 180:sc= 0.084 USER MOD Single : A 327 TYR OH : rot 180:sc= 0 USER MOD Single : A 334 LYS NZ :NH3+ -152:sc= 0.923 (180deg=0.455) USER MOD Single : A 335 LYS NZ :NH3+ 138:sc= 0.715 (180deg=-1.27) USER MOD Single : A 341 GLN : amide:sc= -1.51 K(o=-1.5,f=-5.6!) 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 352 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 296 7.868 10.606 -13.704 1.00 13.00 N ATOM 2 CA GLY A 296 7.463 11.949 -13.199 1.00 45.03 C ATOM 3 C GLY A 296 8.197 13.018 -13.940 1.00 73.23 C ATOM 4 O GLY A 296 7.763 14.166 -13.994 1.00 42.04 O ATOM 0 HA2 GLY A 296 6.388 12.083 -13.321 1.00 45.03 H new ATOM 0 HA3 GLY A 296 7.674 12.024 -12.132 1.00 45.03 H new ATOM 10 N SER A 297 9.324 12.651 -14.535 1.00 4.31 N ATOM 11 CA SER A 297 10.123 13.578 -15.267 1.00 51.25 C ATOM 12 C SER A 297 10.757 12.735 -16.322 1.00 12.22 C ATOM 13 O SER A 297 10.204 11.704 -16.686 1.00 23.54 O ATOM 14 CB SER A 297 11.223 14.259 -14.399 1.00 64.21 C ATOM 15 OG SER A 297 10.707 14.590 -13.103 1.00 32.31 O ATOM 0 H SER A 297 9.695 11.701 -14.514 1.00 4.31 H new ATOM 0 HA SER A 297 9.520 14.401 -15.651 1.00 51.25 H new ATOM 0 HB2 SER A 297 12.079 13.592 -14.297 1.00 64.21 H new ATOM 0 HB3 SER A 297 11.580 15.161 -14.896 1.00 64.21 H new ATOM 0 HG SER A 297 11.411 15.015 -12.570 1.00 32.31 H new ATOM 21 N LEU A 298 11.958 13.099 -16.792 1.00 35.12 N ATOM 22 CA LEU A 298 12.591 12.317 -17.812 1.00 5.41 C ATOM 23 C LEU A 298 14.041 12.566 -17.672 1.00 43.22 C ATOM 24 O LEU A 298 14.492 13.704 -17.781 1.00 4.21 O ATOM 25 CB LEU A 298 12.170 12.712 -19.263 1.00 35.24 C ATOM 26 CG LEU A 298 11.233 11.680 -19.933 1.00 1.43 C ATOM 27 CD1 LEU A 298 10.490 12.264 -21.142 1.00 72.15 C ATOM 28 CD2 LEU A 298 11.958 10.369 -20.287 1.00 74.34 C ATOM 0 H LEU A 298 12.485 13.914 -16.478 1.00 35.12 H new ATOM 0 HA LEU A 298 12.300 11.275 -17.680 1.00 5.41 H new ATOM 0 HB2 LEU A 298 11.672 13.681 -19.238 1.00 35.24 H new ATOM 0 HB3 LEU A 298 13.065 12.829 -19.874 1.00 35.24 H new ATOM 0 HG LEU A 298 10.478 11.430 -19.188 1.00 1.43 H new ATOM 0 HD11 LEU A 298 9.845 11.500 -21.577 1.00 72.15 H new ATOM 0 HD12 LEU A 298 9.883 13.111 -20.822 1.00 72.15 H new ATOM 0 HD13 LEU A 298 11.213 12.596 -21.887 1.00 72.15 H new ATOM 0 HD21 LEU A 298 11.255 9.679 -20.755 1.00 74.34 H new ATOM 0 HD22 LEU A 298 12.774 10.580 -20.978 1.00 74.34 H new ATOM 0 HD23 LEU A 298 12.359 9.918 -19.379 1.00 74.34 H new ATOM 40 N LYS A 299 14.797 11.484 -17.364 1.00 1.14 N ATOM 41 CA LYS A 299 16.246 11.519 -17.274 1.00 73.23 C ATOM 42 C LYS A 299 16.691 12.485 -16.202 1.00 2.00 C ATOM 43 O LYS A 299 17.553 13.336 -16.442 1.00 0.43 O ATOM 44 CB LYS A 299 16.965 11.855 -18.609 1.00 45.11 C ATOM 45 CG LYS A 299 16.556 10.948 -19.773 1.00 52.34 C ATOM 46 CD LYS A 299 17.264 9.595 -19.783 1.00 21.21 C ATOM 47 CE LYS A 299 16.589 8.588 -20.710 1.00 23.50 C ATOM 48 NZ LYS A 299 16.272 9.214 -22.022 1.00 54.31 N ATOM 0 H LYS A 299 14.399 10.564 -17.173 1.00 1.14 H new ATOM 0 HA LYS A 299 16.540 10.502 -17.015 1.00 73.23 H new ATOM 0 HB2 LYS A 299 16.753 12.891 -18.875 1.00 45.11 H new ATOM 0 HB3 LYS A 299 18.042 11.778 -18.461 1.00 45.11 H new ATOM 0 HG2 LYS A 299 15.479 10.783 -19.731 1.00 52.34 H new ATOM 0 HG3 LYS A 299 16.763 11.462 -20.711 1.00 52.34 H new ATOM 0 HD2 LYS A 299 18.299 9.733 -20.094 1.00 21.21 H new ATOM 0 HD3 LYS A 299 17.286 9.193 -18.770 1.00 21.21 H new ATOM 0 HE2 LYS A 299 17.242 7.729 -20.860 1.00 23.50 H new ATOM 0 HE3 LYS A 299 15.674 8.216 -20.248 1.00 23.50 H new ATOM 0 HZ1 LYS A 299 16.070 8.471 -22.721 1.00 54.31 H new ATOM 0 HZ2 LYS A 299 15.440 9.830 -21.921 1.00 54.31 H new ATOM 0 HZ3 LYS A 299 17.084 9.779 -22.342 1.00 54.31 H new ATOM 62 N SER A 300 16.093 12.384 -15.009 1.00 3.12 N ATOM 63 CA SER A 300 16.530 13.166 -13.875 1.00 12.04 C ATOM 64 C SER A 300 17.224 12.176 -12.993 1.00 55.23 C ATOM 65 O SER A 300 17.434 11.049 -13.400 1.00 3.53 O ATOM 66 CB SER A 300 15.368 13.809 -13.089 1.00 32.21 C ATOM 67 OG SER A 300 14.515 14.532 -13.983 1.00 2.40 O ATOM 0 H SER A 300 15.306 11.765 -14.816 1.00 3.12 H new ATOM 0 HA SER A 300 17.154 13.996 -14.206 1.00 12.04 H new ATOM 0 HB2 SER A 300 14.797 13.038 -12.572 1.00 32.21 H new ATOM 0 HB3 SER A 300 15.762 14.480 -12.326 1.00 32.21 H new ATOM 0 HG SER A 300 13.779 14.936 -13.478 1.00 2.40 H new ATOM 73 N ALA A 301 17.590 12.565 -11.766 1.00 41.01 N ATOM 74 CA ALA A 301 18.295 11.660 -10.875 1.00 13.55 C ATOM 75 C ALA A 301 17.380 10.519 -10.476 1.00 40.31 C ATOM 76 O ALA A 301 16.216 10.722 -10.159 1.00 4.35 O ATOM 77 CB ALA A 301 18.781 12.335 -9.576 1.00 62.14 C ATOM 0 H ALA A 301 17.409 13.491 -11.378 1.00 41.01 H new ATOM 0 HA ALA A 301 19.167 11.313 -11.429 1.00 13.55 H new ATOM 0 HB1 ALA A 301 19.299 11.602 -8.957 1.00 62.14 H new ATOM 0 HB2 ALA A 301 19.463 13.149 -9.822 1.00 62.14 H new ATOM 0 HB3 ALA A 301 17.925 12.731 -9.030 1.00 62.14 H new ATOM 83 N CYS A 302 17.922 9.261 -10.529 1.00 65.22 N ATOM 84 CA CYS A 302 17.225 8.054 -10.046 1.00 52.23 C ATOM 85 C CYS A 302 16.909 8.335 -8.599 1.00 22.22 C ATOM 86 O CYS A 302 17.821 8.438 -7.812 1.00 13.50 O ATOM 87 CB CYS A 302 18.168 6.791 -10.134 1.00 40.05 C ATOM 88 SG CYS A 302 17.480 5.202 -9.500 1.00 41.41 S ATOM 0 H CYS A 302 18.850 9.071 -10.908 1.00 65.22 H new ATOM 0 HA CYS A 302 16.337 7.843 -10.641 1.00 52.23 H new ATOM 0 HB2 CYS A 302 18.450 6.648 -11.177 1.00 40.05 H new ATOM 0 HB3 CYS A 302 19.083 7.010 -9.584 1.00 40.05 H new ATOM 93 N VAL A 303 15.605 8.293 -8.226 1.00 60.23 N ATOM 94 CA VAL A 303 15.146 8.826 -6.932 1.00 1.53 C ATOM 95 C VAL A 303 15.650 7.988 -5.779 1.00 55.21 C ATOM 96 O VAL A 303 15.685 8.448 -4.640 1.00 64.33 O ATOM 97 CB VAL A 303 13.630 8.933 -6.833 1.00 31.35 C ATOM 98 CG1 VAL A 303 13.129 9.870 -7.946 1.00 0.51 C ATOM 99 CG2 VAL A 303 12.990 7.529 -6.931 1.00 21.51 C ATOM 0 H VAL A 303 14.863 7.897 -8.803 1.00 60.23 H new ATOM 0 HA VAL A 303 15.562 9.831 -6.871 1.00 1.53 H new ATOM 0 HB VAL A 303 13.340 9.351 -5.869 1.00 31.35 H new ATOM 0 HG11 VAL A 303 12.044 9.957 -7.888 1.00 0.51 H new ATOM 0 HG12 VAL A 303 13.579 10.855 -7.822 1.00 0.51 H new ATOM 0 HG13 VAL A 303 13.409 9.463 -8.918 1.00 0.51 H new ATOM 0 HG21 VAL A 303 11.906 7.617 -6.859 1.00 21.51 H new ATOM 0 HG22 VAL A 303 13.254 7.074 -7.886 1.00 21.51 H new ATOM 0 HG23 VAL A 303 13.358 6.904 -6.117 1.00 21.51 H new ATOM 109 N VAL A 304 16.071 6.752 -6.063 1.00 52.44 N ATOM 110 CA VAL A 304 16.493 5.870 -5.012 1.00 52.14 C ATOM 111 C VAL A 304 17.972 6.068 -4.763 1.00 61.13 C ATOM 112 O VAL A 304 18.378 6.291 -3.649 1.00 1.01 O ATOM 113 CB VAL A 304 16.241 4.388 -5.328 1.00 44.11 C ATOM 114 CG1 VAL A 304 15.755 3.694 -4.043 1.00 12.12 C ATOM 115 CG2 VAL A 304 15.195 4.273 -6.464 1.00 53.52 C ATOM 0 H VAL A 304 16.122 6.359 -7.003 1.00 52.44 H new ATOM 0 HA VAL A 304 15.901 6.120 -4.131 1.00 52.14 H new ATOM 0 HB VAL A 304 17.156 3.902 -5.667 1.00 44.11 H new ATOM 0 HG11 VAL A 304 15.570 2.639 -4.247 1.00 12.12 H new ATOM 0 HG12 VAL A 304 16.517 3.786 -3.269 1.00 12.12 H new ATOM 0 HG13 VAL A 304 14.833 4.165 -3.702 1.00 12.12 H new ATOM 0 HG21 VAL A 304 15.016 3.222 -6.689 1.00 53.52 H new ATOM 0 HG22 VAL A 304 14.262 4.741 -6.149 1.00 53.52 H new ATOM 0 HG23 VAL A 304 15.569 4.776 -7.356 1.00 53.52 H new ATOM 125 N CYS A 305 18.815 6.026 -5.819 1.00 63.32 N ATOM 126 CA CYS A 305 20.259 6.065 -5.578 1.00 41.05 C ATOM 127 C CYS A 305 20.755 7.500 -5.560 1.00 43.21 C ATOM 128 O CYS A 305 21.513 7.866 -4.693 1.00 62.24 O ATOM 129 CB CYS A 305 21.111 5.180 -6.564 1.00 12.01 C ATOM 130 SG CYS A 305 20.886 5.572 -8.341 1.00 4.10 S ATOM 0 H CYS A 305 18.532 5.968 -6.797 1.00 63.32 H new ATOM 0 HA CYS A 305 20.408 5.615 -4.596 1.00 41.05 H new ATOM 0 HB2 CYS A 305 22.165 5.293 -6.312 1.00 12.01 H new ATOM 0 HB3 CYS A 305 20.856 4.133 -6.402 1.00 12.01 H new ATOM 135 N LEU A 306 20.373 8.300 -6.601 1.00 53.52 N ATOM 136 CA LEU A 306 20.701 9.745 -6.705 1.00 3.23 C ATOM 137 C LEU A 306 22.077 9.873 -7.310 1.00 5.21 C ATOM 138 O LEU A 306 22.664 10.940 -7.313 1.00 41.44 O ATOM 139 CB LEU A 306 20.651 10.601 -5.381 1.00 40.53 C ATOM 140 CG LEU A 306 19.228 10.839 -4.795 1.00 54.35 C ATOM 141 CD1 LEU A 306 18.203 11.286 -5.842 1.00 61.24 C ATOM 142 CD2 LEU A 306 18.715 9.664 -3.952 1.00 13.34 C ATOM 0 H LEU A 306 19.828 7.953 -7.390 1.00 53.52 H new ATOM 0 HA LEU A 306 19.903 10.162 -7.320 1.00 3.23 H new ATOM 0 HB2 LEU A 306 21.259 10.105 -4.624 1.00 40.53 H new ATOM 0 HB3 LEU A 306 21.112 11.569 -5.576 1.00 40.53 H new ATOM 0 HG LEU A 306 19.348 11.679 -4.111 1.00 54.35 H new ATOM 0 HD11 LEU A 306 17.235 11.433 -5.364 1.00 61.24 H new ATOM 0 HD12 LEU A 306 18.530 12.222 -6.295 1.00 61.24 H new ATOM 0 HD13 LEU A 306 18.114 10.521 -6.614 1.00 61.24 H new ATOM 0 HD21 LEU A 306 17.719 9.895 -3.574 1.00 13.34 H new ATOM 0 HD22 LEU A 306 18.670 8.766 -4.568 1.00 13.34 H new ATOM 0 HD23 LEU A 306 19.391 9.495 -3.114 1.00 13.34 H new ATOM 154 N SER A 307 22.615 8.763 -7.833 1.00 32.34 N ATOM 155 CA SER A 307 23.923 8.776 -8.449 1.00 55.11 C ATOM 156 C SER A 307 23.715 8.661 -9.939 1.00 41.01 C ATOM 157 O SER A 307 24.249 9.453 -10.725 1.00 35.33 O ATOM 158 CB SER A 307 24.811 7.587 -7.968 1.00 0.31 C ATOM 159 OG SER A 307 24.085 6.774 -7.025 1.00 34.14 O ATOM 0 H SER A 307 22.155 7.852 -7.836 1.00 32.34 H new ATOM 0 HA SER A 307 24.437 9.697 -8.174 1.00 55.11 H new ATOM 0 HB2 SER A 307 25.116 6.982 -8.822 1.00 0.31 H new ATOM 0 HB3 SER A 307 25.722 7.967 -7.506 1.00 0.31 H new ATOM 0 HG SER A 307 24.651 6.030 -6.731 1.00 34.14 H new ATOM 165 N SER A 308 22.904 7.668 -10.355 1.00 61.13 N ATOM 166 CA SER A 308 22.646 7.452 -11.760 1.00 35.51 C ATOM 167 C SER A 308 21.349 8.123 -12.046 1.00 24.53 C ATOM 168 O SER A 308 20.529 8.317 -11.118 1.00 72.34 O ATOM 169 CB SER A 308 22.498 5.961 -12.142 1.00 4.12 C ATOM 170 OG SER A 308 21.784 5.227 -11.129 1.00 60.11 O ATOM 0 H SER A 308 22.428 7.017 -9.730 1.00 61.13 H new ATOM 0 HA SER A 308 23.490 7.841 -12.330 1.00 35.51 H new ATOM 0 HB2 SER A 308 21.971 5.878 -13.093 1.00 4.12 H new ATOM 0 HB3 SER A 308 23.485 5.521 -12.285 1.00 4.12 H new ATOM 0 HG SER A 308 21.245 4.526 -11.552 1.00 60.11 H new ATOM 176 N PHE A 309 21.094 8.464 -13.328 1.00 52.35 N ATOM 177 CA PHE A 309 19.831 9.063 -13.692 1.00 15.31 C ATOM 178 C PHE A 309 18.791 7.968 -13.730 1.00 53.04 C ATOM 179 O PHE A 309 19.102 6.779 -13.559 1.00 11.05 O ATOM 180 CB PHE A 309 19.836 9.823 -15.065 1.00 5.01 C ATOM 181 CG PHE A 309 20.374 9.064 -16.250 1.00 44.54 C ATOM 182 CD1 PHE A 309 21.707 9.135 -16.582 1.00 3.12 C ATOM 183 CD2 PHE A 309 19.536 8.301 -17.038 1.00 33.21 C ATOM 184 CE1 PHE A 309 22.189 8.464 -17.671 1.00 54.11 C ATOM 185 CE2 PHE A 309 20.024 7.626 -18.127 1.00 40.42 C ATOM 186 CZ PHE A 309 21.349 7.709 -18.442 1.00 60.35 C ATOM 0 H PHE A 309 21.745 8.330 -14.102 1.00 52.35 H new ATOM 0 HA PHE A 309 19.612 9.822 -12.941 1.00 15.31 H new ATOM 0 HB2 PHE A 309 18.814 10.128 -15.290 1.00 5.01 H new ATOM 0 HB3 PHE A 309 20.422 10.735 -14.949 1.00 5.01 H new ATOM 0 HD1 PHE A 309 22.379 9.726 -15.977 1.00 3.12 H new ATOM 0 HD2 PHE A 309 18.486 8.235 -16.794 1.00 33.21 H new ATOM 0 HE1 PHE A 309 23.237 8.530 -17.923 1.00 54.11 H new ATOM 0 HE2 PHE A 309 19.360 7.029 -18.735 1.00 40.42 H new ATOM 0 HZ PHE A 309 21.734 7.178 -19.300 1.00 60.35 H new ATOM 196 N LYS A 310 17.519 8.357 -13.837 1.00 32.30 N ATOM 197 CA LYS A 310 16.443 7.406 -13.927 1.00 34.31 C ATOM 198 C LYS A 310 16.362 6.934 -15.347 1.00 32.34 C ATOM 199 O LYS A 310 16.210 7.727 -16.276 1.00 3.50 O ATOM 200 CB LYS A 310 15.080 7.982 -13.526 1.00 2.30 C ATOM 201 CG LYS A 310 14.878 9.427 -13.963 1.00 31.25 C ATOM 202 CD LYS A 310 13.499 9.686 -14.533 1.00 21.25 C ATOM 203 CE LYS A 310 12.901 11.017 -14.096 1.00 52.41 C ATOM 204 NZ LYS A 310 12.889 11.118 -12.622 1.00 3.02 N ATOM 0 H LYS A 310 17.222 9.333 -13.862 1.00 32.30 H new ATOM 0 HA LYS A 310 16.662 6.598 -13.229 1.00 34.31 H new ATOM 0 HB2 LYS A 310 14.292 7.366 -13.960 1.00 2.30 H new ATOM 0 HB3 LYS A 310 14.973 7.920 -12.443 1.00 2.30 H new ATOM 0 HG2 LYS A 310 15.042 10.085 -13.110 1.00 31.25 H new ATOM 0 HG3 LYS A 310 15.628 9.683 -14.711 1.00 31.25 H new ATOM 0 HD2 LYS A 310 13.554 9.661 -15.621 1.00 21.25 H new ATOM 0 HD3 LYS A 310 12.832 8.880 -14.229 1.00 21.25 H new ATOM 0 HE2 LYS A 310 13.479 11.839 -14.518 1.00 52.41 H new ATOM 0 HE3 LYS A 310 11.886 11.111 -14.481 1.00 52.41 H new ATOM 0 HZ1 LYS A 310 12.344 11.956 -12.336 1.00 3.02 H new ATOM 0 HZ2 LYS A 310 12.450 10.266 -12.219 1.00 3.02 H new ATOM 0 HZ3 LYS A 310 13.865 11.203 -12.272 1.00 3.02 H new ATOM 218 N SER A 311 16.430 5.624 -15.512 1.00 11.14 N ATOM 219 CA SER A 311 16.465 5.015 -16.794 1.00 22.54 C ATOM 220 C SER A 311 15.392 3.943 -16.807 1.00 32.23 C ATOM 221 O SER A 311 15.560 2.899 -17.414 1.00 4.30 O ATOM 222 CB SER A 311 17.860 4.348 -17.064 1.00 2.43 C ATOM 223 OG SER A 311 18.598 4.185 -15.828 1.00 54.22 O ATOM 0 H SER A 311 16.462 4.961 -14.738 1.00 11.14 H new ATOM 0 HA SER A 311 16.298 5.766 -17.566 1.00 22.54 H new ATOM 0 HB2 SER A 311 17.719 3.377 -17.539 1.00 2.43 H new ATOM 0 HB3 SER A 311 18.434 4.962 -17.758 1.00 2.43 H new ATOM 0 HG SER A 311 19.464 3.766 -16.017 1.00 54.22 H new ATOM 229 N CYS A 312 14.248 4.181 -16.133 1.00 60.44 N ATOM 230 CA CYS A 312 13.207 3.164 -16.105 1.00 23.43 C ATOM 231 C CYS A 312 11.895 3.831 -15.865 1.00 41.45 C ATOM 232 O CYS A 312 11.714 4.584 -14.867 1.00 72.14 O ATOM 233 CB CYS A 312 13.373 2.077 -15.000 1.00 35.42 C ATOM 234 SG CYS A 312 14.517 0.741 -15.470 1.00 32.40 S ATOM 0 H CYS A 312 14.036 5.038 -15.622 1.00 60.44 H new ATOM 0 HA CYS A 312 13.273 2.656 -17.067 1.00 23.43 H new ATOM 0 HB2 CYS A 312 13.733 2.550 -14.086 1.00 35.42 H new ATOM 0 HB3 CYS A 312 12.397 1.647 -14.773 1.00 35.42 H new ATOM 0 HG CYS A 312 15.328 1.168 -16.392 1.00 32.40 H new ATOM 240 N VAL A 313 10.946 3.554 -16.784 1.00 23.14 N ATOM 241 CA VAL A 313 9.593 3.982 -16.661 1.00 42.01 C ATOM 242 C VAL A 313 8.903 2.780 -16.099 1.00 22.21 C ATOM 243 O VAL A 313 9.039 1.676 -16.623 1.00 72.23 O ATOM 244 CB VAL A 313 8.925 4.318 -17.994 1.00 21.50 C ATOM 245 CG1 VAL A 313 7.530 4.914 -17.720 1.00 43.32 C ATOM 246 CG2 VAL A 313 9.816 5.284 -18.806 1.00 23.42 C ATOM 0 H VAL A 313 11.131 3.018 -17.632 1.00 23.14 H new ATOM 0 HA VAL A 313 9.540 4.891 -16.062 1.00 42.01 H new ATOM 0 HB VAL A 313 8.801 3.415 -18.592 1.00 21.50 H new ATOM 0 HG11 VAL A 313 7.046 5.157 -18.666 1.00 43.32 H new ATOM 0 HG12 VAL A 313 6.924 4.188 -17.178 1.00 43.32 H new ATOM 0 HG13 VAL A 313 7.632 5.819 -17.122 1.00 43.32 H new ATOM 0 HG21 VAL A 313 9.331 5.517 -19.754 1.00 23.42 H new ATOM 0 HG22 VAL A 313 9.966 6.203 -18.240 1.00 23.42 H new ATOM 0 HG23 VAL A 313 10.781 4.815 -18.998 1.00 23.42 H new ATOM 256 N PHE A 314 8.177 2.956 -15.014 1.00 53.34 N ATOM 257 CA PHE A 314 7.499 1.850 -14.405 1.00 71.45 C ATOM 258 C PHE A 314 6.124 1.828 -14.966 1.00 24.23 C ATOM 259 O PHE A 314 5.338 2.796 -14.772 1.00 41.12 O ATOM 260 CB PHE A 314 7.418 1.961 -12.871 1.00 11.23 C ATOM 261 CG PHE A 314 8.735 1.720 -12.166 1.00 73.15 C ATOM 262 CD1 PHE A 314 9.645 0.785 -12.649 1.00 13.03 C ATOM 263 CD2 PHE A 314 9.059 2.421 -11.019 1.00 54.02 C ATOM 264 CE1 PHE A 314 10.826 0.561 -11.999 1.00 25.54 C ATOM 265 CE2 PHE A 314 10.252 2.188 -10.377 1.00 54.21 C ATOM 266 CZ PHE A 314 11.129 1.258 -10.869 1.00 0.53 C ATOM 0 H PHE A 314 8.047 3.852 -14.544 1.00 53.34 H new ATOM 0 HA PHE A 314 8.055 0.937 -14.618 1.00 71.45 H new ATOM 0 HB2 PHE A 314 7.053 2.954 -12.608 1.00 11.23 H new ATOM 0 HB3 PHE A 314 6.684 1.244 -12.503 1.00 11.23 H new ATOM 0 HD1 PHE A 314 9.416 0.230 -13.547 1.00 13.03 H new ATOM 0 HD2 PHE A 314 8.371 3.155 -10.626 1.00 54.02 H new ATOM 0 HE1 PHE A 314 11.521 -0.171 -12.383 1.00 25.54 H new ATOM 0 HE2 PHE A 314 10.499 2.740 -9.482 1.00 54.21 H new ATOM 0 HZ PHE A 314 12.064 1.077 -10.359 1.00 0.53 H new ATOM 276 N LEU A 315 5.759 0.716 -15.656 1.00 41.41 N ATOM 277 CA LEU A 315 4.456 0.643 -16.245 1.00 40.44 C ATOM 278 C LEU A 315 3.555 0.259 -15.137 1.00 63.54 C ATOM 279 O LEU A 315 3.562 -0.867 -14.651 1.00 3.15 O ATOM 280 CB LEU A 315 4.344 -0.457 -17.322 1.00 75.44 C ATOM 281 CG LEU A 315 3.428 -0.106 -18.507 1.00 13.32 C ATOM 282 CD1 LEU A 315 3.476 -1.187 -19.592 1.00 22.15 C ATOM 283 CD2 LEU A 315 1.982 0.200 -18.067 1.00 54.14 C ATOM 0 H LEU A 315 6.349 -0.103 -15.799 1.00 41.41 H new ATOM 0 HA LEU A 315 4.220 1.594 -16.723 1.00 40.44 H new ATOM 0 HB2 LEU A 315 5.341 -0.676 -17.704 1.00 75.44 H new ATOM 0 HB3 LEU A 315 3.975 -1.369 -16.853 1.00 75.44 H new ATOM 0 HG LEU A 315 3.817 0.814 -18.942 1.00 13.32 H new ATOM 0 HD11 LEU A 315 2.817 -0.907 -20.414 1.00 22.15 H new ATOM 0 HD12 LEU A 315 4.496 -1.286 -19.962 1.00 22.15 H new ATOM 0 HD13 LEU A 315 3.148 -2.138 -19.173 1.00 22.15 H new ATOM 0 HD21 LEU A 315 1.379 0.441 -18.942 1.00 54.14 H new ATOM 0 HD22 LEU A 315 1.562 -0.672 -17.566 1.00 54.14 H new ATOM 0 HD23 LEU A 315 1.982 1.047 -17.381 1.00 54.14 H new ATOM 295 N GLU A 316 2.935 1.241 -14.600 1.00 75.43 N ATOM 296 CA GLU A 316 1.863 1.089 -13.719 1.00 15.30 C ATOM 297 C GLU A 316 0.994 2.218 -14.076 1.00 13.31 C ATOM 298 O GLU A 316 -0.144 2.115 -14.470 1.00 42.02 O ATOM 299 CB GLU A 316 2.252 1.136 -12.231 1.00 32.43 C ATOM 300 CG GLU A 316 3.779 1.201 -12.005 1.00 3.53 C ATOM 301 CD GLU A 316 4.053 1.684 -10.616 1.00 41.11 C ATOM 302 OE1 GLU A 316 3.465 2.748 -10.229 1.00 20.13 O ATOM 303 OE2 GLU A 316 4.897 1.111 -9.949 1.00 71.34 O ATOM 0 H GLU A 316 3.180 2.215 -14.777 1.00 75.43 H new ATOM 0 HA GLU A 316 1.399 0.108 -13.819 1.00 15.30 H new ATOM 0 HB2 GLU A 316 1.785 2.005 -11.767 1.00 32.43 H new ATOM 0 HB3 GLU A 316 1.854 0.254 -11.730 1.00 32.43 H new ATOM 0 HG2 GLU A 316 4.223 0.217 -12.154 1.00 3.53 H new ATOM 0 HG3 GLU A 316 4.238 1.871 -12.732 1.00 3.53 H new ATOM 310 N CYS A 317 1.656 3.371 -13.874 1.00 53.42 N ATOM 311 CA CYS A 317 1.110 4.695 -13.952 1.00 43.05 C ATOM 312 C CYS A 317 1.907 5.489 -14.989 1.00 2.30 C ATOM 313 O CYS A 317 1.482 6.548 -15.393 1.00 52.42 O ATOM 314 CB CYS A 317 1.372 5.396 -12.590 1.00 31.35 C ATOM 315 SG CYS A 317 3.076 4.924 -12.046 1.00 24.30 S ATOM 0 H CYS A 317 2.648 3.379 -13.638 1.00 53.42 H new ATOM 0 HA CYS A 317 0.050 4.649 -14.203 1.00 43.05 H new ATOM 0 HB2 CYS A 317 1.287 6.478 -12.692 1.00 31.35 H new ATOM 0 HB3 CYS A 317 0.633 5.087 -11.851 1.00 31.35 H new ATOM 320 N GLY A 318 3.120 4.995 -15.434 1.00 52.45 N ATOM 321 CA GLY A 318 3.925 5.791 -16.371 1.00 33.10 C ATOM 322 C GLY A 318 4.913 6.679 -15.624 1.00 72.43 C ATOM 323 O GLY A 318 5.454 7.619 -16.198 1.00 4.22 O ATOM 0 H GLY A 318 3.522 4.098 -15.163 1.00 52.45 H new ATOM 0 HA2 GLY A 318 4.465 5.128 -17.046 1.00 33.10 H new ATOM 0 HA3 GLY A 318 3.270 6.407 -16.986 1.00 33.10 H new ATOM 327 N HIS A 319 5.210 6.389 -14.328 1.00 34.30 N ATOM 328 CA HIS A 319 6.166 7.235 -13.584 1.00 21.20 C ATOM 329 C HIS A 319 7.535 6.783 -14.014 1.00 62.21 C ATOM 330 O HIS A 319 7.777 5.579 -14.106 1.00 54.24 O ATOM 331 CB HIS A 319 6.091 7.076 -12.026 1.00 11.44 C ATOM 332 CG HIS A 319 5.304 8.167 -11.271 1.00 55.21 C ATOM 333 ND1 HIS A 319 4.474 7.812 -10.204 1.00 71.11 N ATOM 334 CD2 HIS A 319 5.280 9.515 -11.445 1.00 41.04 C ATOM 335 CE1 HIS A 319 3.976 8.946 -9.768 1.00 32.43 C ATOM 336 NE2 HIS A 319 4.429 10.004 -10.481 1.00 24.34 N ATOM 0 H HIS A 319 4.817 5.609 -13.801 1.00 34.30 H new ATOM 0 HA HIS A 319 5.936 8.278 -13.803 1.00 21.20 H new ATOM 0 HB2 HIS A 319 5.640 6.109 -11.801 1.00 11.44 H new ATOM 0 HB3 HIS A 319 7.108 7.053 -11.634 1.00 11.44 H new ATOM 0 HD2 HIS A 319 5.818 10.085 -12.188 1.00 41.04 H new ATOM 0 HE1 HIS A 319 3.287 9.025 -8.940 1.00 32.43 H new ATOM 0 HE2 HIS A 319 4.184 10.983 -10.331 1.00 24.34 H new ATOM 344 N VAL A 320 8.454 7.726 -14.204 1.00 23.20 N ATOM 345 CA VAL A 320 9.809 7.424 -14.604 1.00 11.20 C ATOM 346 C VAL A 320 10.585 7.832 -13.407 1.00 73.52 C ATOM 347 O VAL A 320 10.512 8.992 -13.019 1.00 5.12 O ATOM 348 CB VAL A 320 10.282 8.260 -15.799 1.00 73.32 C ATOM 349 CG1 VAL A 320 11.432 7.524 -16.508 1.00 52.12 C ATOM 350 CG2 VAL A 320 9.082 8.509 -16.743 1.00 42.11 C ATOM 0 H VAL A 320 8.271 8.722 -14.082 1.00 23.20 H new ATOM 0 HA VAL A 320 9.917 6.384 -14.911 1.00 11.20 H new ATOM 0 HB VAL A 320 10.660 9.229 -15.472 1.00 73.32 H new ATOM 0 HG11 VAL A 320 11.772 8.114 -17.359 1.00 52.12 H new ATOM 0 HG12 VAL A 320 12.258 7.383 -15.811 1.00 52.12 H new ATOM 0 HG13 VAL A 320 11.082 6.553 -16.857 1.00 52.12 H new ATOM 0 HG21 VAL A 320 9.408 9.103 -17.597 1.00 42.11 H new ATOM 0 HG22 VAL A 320 8.691 7.554 -17.094 1.00 42.11 H new ATOM 0 HG23 VAL A 320 8.301 9.046 -16.205 1.00 42.11 H new ATOM 360 N CYS A 321 11.286 6.893 -12.715 1.00 65.43 N ATOM 361 CA CYS A 321 11.937 7.347 -11.486 1.00 0.22 C ATOM 362 C CYS A 321 13.131 6.499 -11.107 1.00 51.53 C ATOM 363 O CYS A 321 13.990 6.958 -10.328 1.00 51.33 O ATOM 364 CB CYS A 321 10.963 7.386 -10.271 1.00 24.13 C ATOM 365 SG CYS A 321 9.539 6.244 -10.466 1.00 22.10 S ATOM 0 H CYS A 321 11.403 5.911 -12.965 1.00 65.43 H new ATOM 0 HA CYS A 321 12.273 8.359 -11.714 1.00 0.22 H new ATOM 0 HB2 CYS A 321 11.510 7.127 -9.364 1.00 24.13 H new ATOM 0 HB3 CYS A 321 10.593 8.403 -10.140 1.00 24.13 H new ATOM 0 HG CYS A 321 9.910 5.034 -10.169 1.00 22.10 H new ATOM 371 N SER A 322 13.264 5.258 -11.614 1.00 34.11 N ATOM 372 CA SER A 322 14.342 4.416 -11.130 1.00 22.42 C ATOM 373 C SER A 322 15.286 4.163 -12.239 1.00 62.14 C ATOM 374 O SER A 322 15.101 4.607 -13.327 1.00 5.32 O ATOM 375 CB SER A 322 13.905 3.063 -10.524 1.00 51.01 C ATOM 376 OG SER A 322 14.874 2.626 -9.540 1.00 44.43 O ATOM 0 H SER A 322 12.662 4.843 -12.325 1.00 34.11 H new ATOM 0 HA SER A 322 14.801 4.969 -10.310 1.00 22.42 H new ATOM 0 HB2 SER A 322 12.923 3.163 -10.061 1.00 51.01 H new ATOM 0 HB3 SER A 322 13.811 2.315 -11.312 1.00 51.01 H new ATOM 0 HG SER A 322 14.590 1.769 -9.159 1.00 44.43 H new ATOM 382 N CYS A 323 16.363 3.434 -11.920 1.00 5.25 N ATOM 383 CA CYS A 323 17.399 3.122 -12.871 1.00 1.21 C ATOM 384 C CYS A 323 17.413 1.637 -12.893 1.00 1.33 C ATOM 385 O CYS A 323 17.098 1.023 -11.863 1.00 5.33 O ATOM 386 CB CYS A 323 18.829 3.736 -12.518 1.00 11.13 C ATOM 387 SG CYS A 323 19.823 2.848 -11.251 1.00 60.31 S ATOM 0 H CYS A 323 16.526 3.050 -10.989 1.00 5.25 H new ATOM 0 HA CYS A 323 17.190 3.569 -13.843 1.00 1.21 H new ATOM 0 HB2 CYS A 323 19.414 3.784 -13.436 1.00 11.13 H new ATOM 0 HB3 CYS A 323 18.684 4.762 -12.178 1.00 11.13 H new ATOM 392 N THR A 324 17.774 1.037 -14.030 1.00 73.12 N ATOM 393 CA THR A 324 17.679 -0.404 -14.247 1.00 14.10 C ATOM 394 C THR A 324 18.420 -1.182 -13.185 1.00 0.50 C ATOM 395 O THR A 324 17.890 -2.145 -12.640 1.00 11.40 O ATOM 396 CB THR A 324 18.192 -0.819 -15.610 1.00 24.21 C ATOM 397 OG1 THR A 324 18.134 0.298 -16.509 1.00 40.33 O ATOM 398 CG2 THR A 324 17.318 -1.969 -16.133 1.00 22.34 C ATOM 0 H THR A 324 18.144 1.546 -14.833 1.00 73.12 H new ATOM 0 HA THR A 324 16.616 -0.639 -14.189 1.00 14.10 H new ATOM 0 HB THR A 324 19.228 -1.151 -15.537 1.00 24.21 H new ATOM 0 HG1 THR A 324 18.936 0.307 -17.072 1.00 40.33 H new ATOM 0 HG21 THR A 324 17.675 -2.280 -17.115 1.00 22.34 H new ATOM 0 HG22 THR A 324 17.374 -2.811 -15.443 1.00 22.34 H new ATOM 0 HG23 THR A 324 16.284 -1.633 -16.212 1.00 22.34 H new ATOM 406 N GLU A 325 19.650 -0.761 -12.844 1.00 32.31 N ATOM 407 CA GLU A 325 20.447 -1.494 -11.877 1.00 3.13 C ATOM 408 C GLU A 325 19.792 -1.441 -10.511 1.00 73.11 C ATOM 409 O GLU A 325 19.891 -2.365 -9.752 1.00 53.33 O ATOM 410 CB GLU A 325 21.882 -0.963 -11.767 1.00 13.20 C ATOM 411 CG GLU A 325 22.674 -1.141 -13.077 1.00 20.24 C ATOM 412 CD GLU A 325 24.045 -0.514 -12.906 1.00 23.20 C ATOM 413 OE1 GLU A 325 24.333 0.507 -13.608 1.00 0.43 O ATOM 414 OE2 GLU A 325 24.831 -1.039 -12.073 1.00 1.21 O ATOM 0 H GLU A 325 20.099 0.072 -13.224 1.00 32.31 H new ATOM 0 HA GLU A 325 20.500 -2.523 -12.233 1.00 3.13 H new ATOM 0 HB2 GLU A 325 21.857 0.094 -11.501 1.00 13.20 H new ATOM 0 HB3 GLU A 325 22.398 -1.482 -10.960 1.00 13.20 H new ATOM 0 HG2 GLU A 325 22.770 -2.199 -13.319 1.00 20.24 H new ATOM 0 HG3 GLU A 325 22.144 -0.671 -13.906 1.00 20.24 H new ATOM 421 N CYS A 326 19.080 -0.338 -10.196 1.00 11.31 N ATOM 422 CA CYS A 326 18.413 -0.231 -8.878 1.00 73.35 C ATOM 423 C CYS A 326 17.322 -1.264 -8.833 1.00 74.41 C ATOM 424 O CYS A 326 17.070 -1.865 -7.801 1.00 34.23 O ATOM 425 CB CYS A 326 17.736 1.156 -8.603 1.00 12.13 C ATOM 426 SG CYS A 326 18.738 2.301 -7.596 1.00 12.13 S ATOM 0 H CYS A 326 18.953 0.466 -10.811 1.00 11.31 H new ATOM 0 HA CYS A 326 19.190 -0.369 -8.126 1.00 73.35 H new ATOM 0 HB2 CYS A 326 17.512 1.632 -9.558 1.00 12.13 H new ATOM 0 HB3 CYS A 326 16.784 0.988 -8.100 1.00 12.13 H new ATOM 431 N TYR A 327 16.624 -1.441 -9.966 1.00 1.14 N ATOM 432 CA TYR A 327 15.517 -2.362 -10.034 1.00 53.51 C ATOM 433 C TYR A 327 16.045 -3.777 -9.884 1.00 40.03 C ATOM 434 O TYR A 327 15.837 -4.426 -8.860 1.00 65.21 O ATOM 435 CB TYR A 327 14.787 -2.242 -11.413 1.00 2.03 C ATOM 436 CG TYR A 327 13.495 -2.993 -11.561 1.00 15.30 C ATOM 437 CD1 TYR A 327 13.461 -4.221 -12.192 1.00 15.14 C ATOM 438 CD2 TYR A 327 12.316 -2.456 -11.101 1.00 22.40 C ATOM 439 CE1 TYR A 327 12.275 -4.887 -12.356 1.00 25.31 C ATOM 440 CE2 TYR A 327 11.132 -3.128 -11.263 1.00 42.42 C ATOM 441 CZ TYR A 327 11.110 -4.338 -11.889 1.00 12.12 C ATOM 442 OH TYR A 327 9.892 -5.017 -12.052 1.00 32.23 O ATOM 0 H TYR A 327 16.820 -0.951 -10.839 1.00 1.14 H new ATOM 0 HA TYR A 327 14.812 -2.127 -9.236 1.00 53.51 H new ATOM 0 HB2 TYR A 327 14.591 -1.187 -11.603 1.00 2.03 H new ATOM 0 HB3 TYR A 327 15.470 -2.584 -12.190 1.00 2.03 H new ATOM 0 HD1 TYR A 327 14.377 -4.660 -12.559 1.00 15.14 H new ATOM 0 HD2 TYR A 327 12.323 -1.495 -10.607 1.00 22.40 H new ATOM 0 HE1 TYR A 327 12.259 -5.845 -12.854 1.00 25.31 H new ATOM 0 HE2 TYR A 327 10.214 -2.697 -10.893 1.00 42.42 H new ATOM 0 HH TYR A 327 9.167 -4.486 -11.662 1.00 32.23 H new ATOM 452 N ARG A 328 16.893 -4.202 -10.856 1.00 14.23 N ATOM 453 CA ARG A 328 17.304 -5.600 -10.975 1.00 1.44 C ATOM 454 C ARG A 328 18.116 -6.033 -9.789 1.00 2.01 C ATOM 455 O ARG A 328 18.194 -7.220 -9.473 1.00 33.14 O ATOM 456 CB ARG A 328 18.093 -5.905 -12.272 1.00 60.12 C ATOM 457 CG ARG A 328 19.413 -5.123 -12.418 1.00 4.13 C ATOM 458 CD ARG A 328 20.635 -6.043 -12.593 1.00 42.02 C ATOM 459 NE ARG A 328 21.878 -5.193 -12.561 1.00 74.14 N ATOM 460 CZ ARG A 328 22.575 -4.990 -11.388 1.00 61.41 C ATOM 461 NH1 ARG A 328 22.163 -5.576 -10.221 1.00 40.03 N ATOM 462 NH2 ARG A 328 23.695 -4.198 -11.385 1.00 74.14 N ATOM 0 H ARG A 328 17.298 -3.587 -11.562 1.00 14.23 H new ATOM 0 HA ARG A 328 16.375 -6.169 -11.016 1.00 1.44 H new ATOM 0 HB2 ARG A 328 18.312 -6.972 -12.306 1.00 60.12 H new ATOM 0 HB3 ARG A 328 17.457 -5.683 -13.129 1.00 60.12 H new ATOM 0 HG2 ARG A 328 19.341 -4.455 -13.276 1.00 4.13 H new ATOM 0 HG3 ARG A 328 19.558 -4.497 -11.538 1.00 4.13 H new ATOM 0 HD2 ARG A 328 20.665 -6.789 -11.799 1.00 42.02 H new ATOM 0 HD3 ARG A 328 20.570 -6.585 -13.537 1.00 42.02 H new ATOM 0 HE ARG A 328 22.210 -4.760 -13.422 1.00 74.14 H new ATOM 0 HH11 ARG A 328 21.333 -6.169 -10.213 1.00 40.03 H new ATOM 0 HH12 ARG A 328 22.686 -5.419 -9.359 1.00 40.03 H new ATOM 0 HH21 ARG A 328 24.012 -3.760 -12.250 1.00 74.14 H new ATOM 0 HH22 ARG A 328 24.211 -4.047 -10.518 1.00 74.14 H new ATOM 476 N ALA A 329 18.756 -5.085 -9.121 1.00 34.12 N ATOM 477 CA ALA A 329 19.563 -5.418 -7.991 1.00 32.33 C ATOM 478 C ALA A 329 18.665 -5.732 -6.841 1.00 20.24 C ATOM 479 O ALA A 329 18.827 -6.758 -6.199 1.00 24.43 O ATOM 480 CB ALA A 329 20.488 -4.275 -7.544 1.00 35.35 C ATOM 0 H ALA A 329 18.724 -4.092 -9.351 1.00 34.12 H new ATOM 0 HA ALA A 329 20.185 -6.262 -8.288 1.00 32.33 H new ATOM 0 HB1 ALA A 329 21.072 -4.596 -6.682 1.00 35.35 H new ATOM 0 HB2 ALA A 329 21.161 -4.011 -8.360 1.00 35.35 H new ATOM 0 HB3 ALA A 329 19.888 -3.406 -7.273 1.00 35.35 H new ATOM 486 N LEU A 330 17.757 -4.809 -6.530 1.00 55.31 N ATOM 487 CA LEU A 330 16.903 -4.906 -5.351 1.00 12.04 C ATOM 488 C LEU A 330 15.784 -5.890 -5.599 1.00 34.21 C ATOM 489 O LEU A 330 14.908 -5.603 -6.392 1.00 64.45 O ATOM 490 CB LEU A 330 16.258 -3.524 -5.045 1.00 2.21 C ATOM 491 CG LEU A 330 15.360 -3.459 -3.796 1.00 11.05 C ATOM 492 CD1 LEU A 330 15.939 -4.209 -2.580 1.00 21.32 C ATOM 493 CD2 LEU A 330 14.977 -2.013 -3.438 1.00 35.24 C ATOM 0 H LEU A 330 17.594 -3.972 -7.090 1.00 55.31 H new ATOM 0 HA LEU A 330 17.519 -5.234 -4.513 1.00 12.04 H new ATOM 0 HB2 LEU A 330 17.056 -2.790 -4.933 1.00 2.21 H new ATOM 0 HB3 LEU A 330 15.666 -3.222 -5.909 1.00 2.21 H new ATOM 0 HG LEU A 330 14.446 -3.988 -4.067 1.00 11.05 H new ATOM 0 HD11 LEU A 330 15.253 -4.120 -1.737 1.00 21.32 H new ATOM 0 HD12 LEU A 330 16.071 -5.261 -2.831 1.00 21.32 H new ATOM 0 HD13 LEU A 330 16.902 -3.776 -2.311 1.00 21.32 H new ATOM 0 HD21 LEU A 330 14.343 -2.013 -2.551 1.00 35.24 H new ATOM 0 HD22 LEU A 330 15.880 -1.436 -3.239 1.00 35.24 H new ATOM 0 HD23 LEU A 330 14.436 -1.563 -4.270 1.00 35.24 H new ATOM 505 N PRO A 331 15.753 -7.069 -4.950 1.00 43.45 N ATOM 506 CA PRO A 331 14.582 -7.888 -5.090 1.00 14.23 C ATOM 507 C PRO A 331 13.634 -7.708 -3.928 1.00 32.41 C ATOM 508 O PRO A 331 13.936 -8.057 -2.786 1.00 72.24 O ATOM 509 CB PRO A 331 15.181 -9.308 -5.051 1.00 20.10 C ATOM 510 CG PRO A 331 16.514 -9.167 -4.270 1.00 42.23 C ATOM 511 CD PRO A 331 16.747 -7.659 -4.069 1.00 11.40 C ATOM 0 HA PRO A 331 14.004 -7.656 -5.985 1.00 14.23 H new ATOM 0 HB2 PRO A 331 14.506 -10.006 -4.555 1.00 20.10 H new ATOM 0 HB3 PRO A 331 15.353 -9.690 -6.057 1.00 20.10 H new ATOM 0 HG2 PRO A 331 16.458 -9.682 -3.311 1.00 42.23 H new ATOM 0 HG3 PRO A 331 17.338 -9.616 -4.825 1.00 42.23 H new ATOM 0 HD2 PRO A 331 16.599 -7.360 -3.031 1.00 11.40 H new ATOM 0 HD3 PRO A 331 17.760 -7.364 -4.344 1.00 11.40 H new ATOM 519 N GLU A 332 12.484 -7.163 -4.217 1.00 4.04 N ATOM 520 CA GLU A 332 11.349 -7.094 -3.328 1.00 11.33 C ATOM 521 C GLU A 332 10.256 -7.098 -4.303 1.00 1.43 C ATOM 522 O GLU A 332 10.527 -7.108 -5.505 1.00 51.41 O ATOM 523 CB GLU A 332 11.279 -5.781 -2.479 1.00 42.54 C ATOM 524 CG GLU A 332 12.240 -4.702 -2.968 1.00 31.41 C ATOM 525 CD GLU A 332 11.798 -3.354 -2.437 1.00 12.14 C ATOM 526 OE1 GLU A 332 11.756 -3.184 -1.189 1.00 22.30 O ATOM 527 OE2 GLU A 332 11.502 -2.457 -3.274 1.00 13.13 O ATOM 0 H GLU A 332 12.301 -6.733 -5.123 1.00 4.04 H new ATOM 0 HA GLU A 332 11.354 -7.889 -2.582 1.00 11.33 H new ATOM 0 HB2 GLU A 332 10.261 -5.392 -2.505 1.00 42.54 H new ATOM 0 HB3 GLU A 332 11.504 -6.015 -1.439 1.00 42.54 H new ATOM 0 HG2 GLU A 332 13.253 -4.923 -2.632 1.00 31.41 H new ATOM 0 HG3 GLU A 332 12.262 -4.686 -4.058 1.00 31.41 H new ATOM 534 N PRO A 333 9.012 -7.081 -3.887 1.00 43.41 N ATOM 535 CA PRO A 333 8.029 -6.565 -4.799 1.00 0.21 C ATOM 536 C PRO A 333 8.222 -5.068 -4.752 1.00 55.03 C ATOM 537 O PRO A 333 8.113 -4.461 -3.687 1.00 73.34 O ATOM 538 CB PRO A 333 6.673 -6.961 -4.189 1.00 53.41 C ATOM 539 CG PRO A 333 6.967 -7.268 -2.708 1.00 33.34 C ATOM 540 CD PRO A 333 8.463 -7.602 -2.623 1.00 61.22 C ATOM 0 HA PRO A 333 8.096 -6.927 -5.825 1.00 0.21 H new ATOM 0 HB2 PRO A 333 5.947 -6.154 -4.287 1.00 53.41 H new ATOM 0 HB3 PRO A 333 6.253 -7.830 -4.695 1.00 53.41 H new ATOM 0 HG2 PRO A 333 6.724 -6.412 -2.078 1.00 33.34 H new ATOM 0 HG3 PRO A 333 6.362 -8.104 -2.357 1.00 33.34 H new ATOM 0 HD2 PRO A 333 8.930 -7.129 -1.759 1.00 61.22 H new ATOM 0 HD3 PRO A 333 8.628 -8.675 -2.527 1.00 61.22 H new ATOM 548 N LYS A 334 8.530 -4.448 -5.883 1.00 63.34 N ATOM 549 CA LYS A 334 8.879 -3.060 -5.848 1.00 42.33 C ATOM 550 C LYS A 334 7.661 -2.251 -6.055 1.00 74.32 C ATOM 551 O LYS A 334 6.733 -2.643 -6.787 1.00 41.42 O ATOM 552 CB LYS A 334 9.938 -2.678 -6.896 1.00 1.23 C ATOM 553 CG LYS A 334 11.344 -3.177 -6.533 1.00 33.31 C ATOM 554 CD LYS A 334 12.089 -3.797 -7.709 1.00 65.11 C ATOM 555 CE LYS A 334 11.940 -5.315 -7.771 1.00 3.41 C ATOM 556 NZ LYS A 334 12.030 -5.794 -9.164 1.00 42.02 N ATOM 0 H LYS A 334 8.542 -4.881 -6.806 1.00 63.34 H new ATOM 0 HA LYS A 334 9.318 -2.860 -4.871 1.00 42.33 H new ATOM 0 HB2 LYS A 334 9.650 -3.090 -7.863 1.00 1.23 H new ATOM 0 HB3 LYS A 334 9.960 -1.594 -7.005 1.00 1.23 H new ATOM 0 HG2 LYS A 334 11.927 -2.344 -6.142 1.00 33.31 H new ATOM 0 HG3 LYS A 334 11.265 -3.914 -5.734 1.00 33.31 H new ATOM 0 HD2 LYS A 334 11.719 -3.362 -8.637 1.00 65.11 H new ATOM 0 HD3 LYS A 334 13.147 -3.543 -7.638 1.00 65.11 H new ATOM 0 HE2 LYS A 334 12.717 -5.786 -7.169 1.00 3.41 H new ATOM 0 HE3 LYS A 334 10.982 -5.609 -7.342 1.00 3.41 H new ATOM 0 HZ1 LYS A 334 11.485 -6.674 -9.264 1.00 42.02 H new ATOM 0 HZ2 LYS A 334 11.643 -5.072 -9.805 1.00 42.02 H new ATOM 0 HZ3 LYS A 334 13.025 -5.974 -9.406 1.00 42.02 H new ATOM 570 N LYS A 335 7.636 -1.106 -5.383 1.00 53.21 N ATOM 571 CA LYS A 335 6.544 -0.209 -5.462 1.00 2.12 C ATOM 572 C LYS A 335 7.069 1.014 -6.118 1.00 32.14 C ATOM 573 O LYS A 335 8.263 1.290 -6.100 1.00 5.11 O ATOM 574 CB LYS A 335 5.968 0.196 -4.075 1.00 11.43 C ATOM 575 CG LYS A 335 5.705 -0.996 -3.132 1.00 64.11 C ATOM 576 CD LYS A 335 4.424 -1.786 -3.472 1.00 32.13 C ATOM 577 CE LYS A 335 4.659 -3.287 -3.697 1.00 3.03 C ATOM 578 NZ LYS A 335 5.479 -3.857 -2.601 1.00 3.33 N ATOM 0 H LYS A 335 8.389 -0.793 -4.770 1.00 53.21 H new ATOM 0 HA LYS A 335 5.733 -0.694 -6.005 1.00 2.12 H new ATOM 0 HB2 LYS A 335 6.663 0.882 -3.591 1.00 11.43 H new ATOM 0 HB3 LYS A 335 5.035 0.740 -4.225 1.00 11.43 H new ATOM 0 HG2 LYS A 335 6.559 -1.672 -3.169 1.00 64.11 H new ATOM 0 HG3 LYS A 335 5.634 -0.629 -2.108 1.00 64.11 H new ATOM 0 HD2 LYS A 335 3.705 -1.658 -2.663 1.00 32.13 H new ATOM 0 HD3 LYS A 335 3.974 -1.360 -4.369 1.00 32.13 H new ATOM 0 HE2 LYS A 335 3.702 -3.806 -3.750 1.00 3.03 H new ATOM 0 HE3 LYS A 335 5.160 -3.443 -4.652 1.00 3.03 H new ATOM 0 HZ1 LYS A 335 5.093 -4.782 -2.323 1.00 3.33 H new ATOM 0 HZ2 LYS A 335 6.460 -3.975 -2.926 1.00 3.33 H new ATOM 0 HZ3 LYS A 335 5.460 -3.215 -1.783 1.00 3.33 H new ATOM 592 N CYS A 336 6.173 1.750 -6.769 1.00 61.41 N ATOM 593 CA CYS A 336 6.495 3.019 -7.388 1.00 71.43 C ATOM 594 C CYS A 336 6.982 3.930 -6.289 1.00 61.25 C ATOM 595 O CYS A 336 6.215 4.275 -5.445 1.00 34.14 O ATOM 596 CB CYS A 336 5.249 3.685 -8.017 1.00 32.33 C ATOM 597 SG CYS A 336 5.634 4.724 -9.468 1.00 64.11 S ATOM 0 H CYS A 336 5.197 1.475 -6.879 1.00 61.41 H new ATOM 0 HA CYS A 336 7.233 2.853 -8.173 1.00 71.43 H new ATOM 0 HB2 CYS A 336 4.542 2.909 -8.312 1.00 32.33 H new ATOM 0 HB3 CYS A 336 4.754 4.297 -7.263 1.00 32.33 H new ATOM 602 N PRO A 337 8.213 4.394 -6.336 1.00 34.42 N ATOM 603 CA PRO A 337 8.739 5.242 -5.257 1.00 21.33 C ATOM 604 C PRO A 337 8.000 6.546 -5.091 1.00 73.22 C ATOM 605 O PRO A 337 8.051 7.163 -4.042 1.00 63.54 O ATOM 606 CB PRO A 337 10.211 5.486 -5.625 1.00 45.24 C ATOM 607 CG PRO A 337 10.312 5.147 -7.108 1.00 3.53 C ATOM 608 CD PRO A 337 9.208 4.129 -7.385 1.00 43.01 C ATOM 0 HA PRO A 337 8.617 4.745 -4.295 1.00 21.33 H new ATOM 0 HB2 PRO A 337 10.498 6.521 -5.437 1.00 45.24 H new ATOM 0 HB3 PRO A 337 10.875 4.858 -5.031 1.00 45.24 H new ATOM 0 HG2 PRO A 337 10.183 6.039 -7.721 1.00 3.53 H new ATOM 0 HG3 PRO A 337 11.292 4.734 -7.348 1.00 3.53 H new ATOM 0 HD2 PRO A 337 8.784 4.260 -8.381 1.00 43.01 H new ATOM 0 HD3 PRO A 337 9.584 3.107 -7.331 1.00 43.01 H new ATOM 616 N ILE A 338 7.272 6.973 -6.143 1.00 63.43 N ATOM 617 CA ILE A 338 6.573 8.228 -6.098 1.00 31.43 C ATOM 618 C ILE A 338 5.132 8.003 -5.651 1.00 42.52 C ATOM 619 O ILE A 338 4.550 8.860 -5.018 1.00 3.14 O ATOM 620 CB ILE A 338 6.516 8.929 -7.456 1.00 53.34 C ATOM 621 CG1 ILE A 338 7.748 8.621 -8.340 1.00 0.02 C ATOM 622 CG2 ILE A 338 6.347 10.434 -7.235 1.00 15.10 C ATOM 623 CD1 ILE A 338 9.041 9.269 -7.844 1.00 54.23 C ATOM 0 H ILE A 338 7.167 6.457 -7.017 1.00 63.43 H new ATOM 0 HA ILE A 338 7.126 8.856 -5.399 1.00 31.43 H new ATOM 0 HB ILE A 338 5.657 8.542 -8.004 1.00 53.34 H new ATOM 0 HG12 ILE A 338 7.889 7.541 -8.387 1.00 0.02 H new ATOM 0 HG13 ILE A 338 7.549 8.961 -9.356 1.00 0.02 H new ATOM 0 HG21 ILE A 338 6.306 10.941 -8.199 1.00 15.10 H new ATOM 0 HG22 ILE A 338 5.423 10.620 -6.687 1.00 15.10 H new ATOM 0 HG23 ILE A 338 7.192 10.815 -6.661 1.00 15.10 H new ATOM 0 HD11 ILE A 338 9.860 9.008 -8.515 1.00 54.23 H new ATOM 0 HD12 ILE A 338 8.921 10.352 -7.824 1.00 54.23 H new ATOM 0 HD13 ILE A 338 9.266 8.910 -6.840 1.00 54.23 H new ATOM 635 N CYS A 339 4.510 6.836 -5.998 1.00 23.50 N ATOM 636 CA CYS A 339 3.057 6.721 -5.768 1.00 62.11 C ATOM 637 C CYS A 339 2.701 5.427 -5.045 1.00 22.20 C ATOM 638 O CYS A 339 1.538 5.150 -4.806 1.00 44.02 O ATOM 639 CB CYS A 339 2.235 6.844 -7.095 1.00 74.34 C ATOM 640 SG CYS A 339 2.271 5.349 -8.137 1.00 23.45 S ATOM 0 H CYS A 339 4.963 6.020 -6.409 1.00 23.50 H new ATOM 0 HA CYS A 339 2.783 7.559 -5.127 1.00 62.11 H new ATOM 0 HB2 CYS A 339 1.199 7.076 -6.847 1.00 74.34 H new ATOM 0 HB3 CYS A 339 2.621 7.685 -7.672 1.00 74.34 H new ATOM 645 N ARG A 340 3.697 4.580 -4.778 1.00 0.23 N ATOM 646 CA ARG A 340 3.528 3.347 -4.001 1.00 44.01 C ATOM 647 C ARG A 340 2.635 2.316 -4.673 1.00 41.33 C ATOM 648 O ARG A 340 2.188 1.378 -4.036 1.00 40.31 O ATOM 649 CB ARG A 340 3.097 3.557 -2.542 1.00 2.21 C ATOM 650 CG ARG A 340 4.140 4.334 -1.740 1.00 62.24 C ATOM 651 CD ARG A 340 5.439 3.534 -1.530 1.00 24.30 C ATOM 652 NE ARG A 340 6.584 4.476 -1.632 1.00 41.44 N ATOM 653 CZ ARG A 340 7.862 4.005 -1.573 1.00 5.34 C ATOM 654 NH1 ARG A 340 8.093 2.668 -1.376 1.00 52.12 N ATOM 655 NH2 ARG A 340 8.903 4.871 -1.717 1.00 23.13 N ATOM 0 H ARG A 340 4.654 4.731 -5.098 1.00 0.23 H new ATOM 0 HA ARG A 340 4.541 2.945 -3.972 1.00 44.01 H new ATOM 0 HB2 ARG A 340 2.149 4.094 -2.518 1.00 2.21 H new ATOM 0 HB3 ARG A 340 2.927 2.588 -2.072 1.00 2.21 H new ATOM 0 HG2 ARG A 340 4.371 5.266 -2.257 1.00 62.24 H new ATOM 0 HG3 ARG A 340 3.722 4.602 -0.770 1.00 62.24 H new ATOM 0 HD2 ARG A 340 5.433 3.047 -0.555 1.00 24.30 H new ATOM 0 HD3 ARG A 340 5.526 2.747 -2.279 1.00 24.30 H new ATOM 0 HE ARG A 340 6.414 5.475 -1.746 1.00 41.44 H new ATOM 0 HH11 ARG A 340 7.308 2.025 -1.273 1.00 52.12 H new ATOM 0 HH12 ARG A 340 9.050 2.317 -1.332 1.00 52.12 H new ATOM 0 HH21 ARG A 340 8.723 5.864 -1.868 1.00 23.13 H new ATOM 0 HH22 ARG A 340 9.862 4.527 -1.674 1.00 23.13 H new ATOM 669 N GLN A 341 2.342 2.467 -5.973 1.00 53.15 N ATOM 670 CA GLN A 341 1.618 1.416 -6.683 1.00 53.13 C ATOM 671 C GLN A 341 2.630 0.358 -6.989 1.00 72.12 C ATOM 672 O GLN A 341 3.775 0.691 -7.279 1.00 65.32 O ATOM 673 CB GLN A 341 1.092 1.865 -8.049 1.00 23.21 C ATOM 674 CG GLN A 341 -0.169 2.716 -8.013 1.00 72.31 C ATOM 675 CD GLN A 341 -0.346 3.255 -9.425 1.00 1.15 C ATOM 676 OE1 GLN A 341 0.632 3.743 -10.028 1.00 63.43 O ATOM 677 NE2 GLN A 341 -1.558 3.147 -9.986 1.00 64.15 N ATOM 0 H GLN A 341 2.588 3.282 -6.535 1.00 53.15 H new ATOM 0 HA GLN A 341 0.777 1.106 -6.063 1.00 53.13 H new ATOM 0 HB2 GLN A 341 1.876 2.428 -8.555 1.00 23.21 H new ATOM 0 HB3 GLN A 341 0.896 0.979 -8.653 1.00 23.21 H new ATOM 0 HG2 GLN A 341 -1.032 2.123 -7.710 1.00 72.31 H new ATOM 0 HG3 GLN A 341 -0.072 3.529 -7.293 1.00 72.31 H new ATOM 0 HE21 GLN A 341 -2.330 2.742 -9.457 1.00 64.15 H new ATOM 0 HE22 GLN A 341 -1.708 3.470 -10.942 1.00 64.15 H new ATOM 686 N ALA A 342 2.222 -0.926 -6.937 1.00 72.33 N ATOM 687 CA ALA A 342 3.097 -2.042 -7.310 1.00 40.11 C ATOM 688 C ALA A 342 3.494 -1.863 -8.762 1.00 22.54 C ATOM 689 O ALA A 342 2.735 -1.295 -9.567 1.00 31.10 O ATOM 690 CB ALA A 342 2.423 -3.421 -7.178 1.00 13.42 C ATOM 0 H ALA A 342 1.289 -1.210 -6.639 1.00 72.33 H new ATOM 0 HA ALA A 342 3.948 -2.024 -6.629 1.00 40.11 H new ATOM 0 HB1 ALA A 342 3.128 -4.200 -7.470 1.00 13.42 H new ATOM 0 HB2 ALA A 342 2.116 -3.578 -6.144 1.00 13.42 H new ATOM 0 HB3 ALA A 342 1.548 -3.462 -7.826 1.00 13.42 H new ATOM 696 N ILE A 343 4.682 -2.352 -9.126 1.00 72.15 N ATOM 697 CA ILE A 343 5.163 -2.213 -10.473 1.00 61.45 C ATOM 698 C ILE A 343 4.643 -3.380 -11.260 1.00 71.34 C ATOM 699 O ILE A 343 4.853 -4.536 -10.901 1.00 40.31 O ATOM 700 CB ILE A 343 6.677 -2.148 -10.528 1.00 13.03 C ATOM 701 CG1 ILE A 343 7.162 -0.902 -9.767 1.00 23.30 C ATOM 702 CG2 ILE A 343 7.154 -2.135 -11.995 1.00 44.44 C ATOM 703 CD1 ILE A 343 8.629 -0.926 -9.455 1.00 45.33 C ATOM 0 H ILE A 343 5.316 -2.844 -8.497 1.00 72.15 H new ATOM 0 HA ILE A 343 4.805 -1.275 -10.898 1.00 61.45 H new ATOM 0 HB ILE A 343 7.103 -3.030 -10.050 1.00 13.03 H new ATOM 0 HG12 ILE A 343 6.939 -0.014 -10.359 1.00 23.30 H new ATOM 0 HG13 ILE A 343 6.602 -0.813 -8.836 1.00 23.30 H new ATOM 0 HG21 ILE A 343 8.243 -2.088 -12.023 1.00 44.44 H new ATOM 0 HG22 ILE A 343 6.817 -3.043 -12.495 1.00 44.44 H new ATOM 0 HG23 ILE A 343 6.740 -1.265 -12.504 1.00 44.44 H new ATOM 0 HD11 ILE A 343 8.902 -0.017 -8.918 1.00 45.33 H new ATOM 0 HD12 ILE A 343 8.855 -1.795 -8.837 1.00 45.33 H new ATOM 0 HD13 ILE A 343 9.198 -0.983 -10.383 1.00 45.33 H new ATOM 715 N THR A 344 3.963 -3.072 -12.383 1.00 34.40 N ATOM 716 CA THR A 344 3.315 -4.071 -13.187 1.00 43.12 C ATOM 717 C THR A 344 4.266 -4.442 -14.322 1.00 75.41 C ATOM 718 O THR A 344 4.291 -5.592 -14.783 1.00 13.44 O ATOM 719 CB THR A 344 2.003 -3.516 -13.737 1.00 21.25 C ATOM 720 OG1 THR A 344 1.033 -3.390 -12.693 1.00 55.15 O ATOM 721 CG2 THR A 344 1.457 -4.368 -14.882 1.00 63.24 C ATOM 0 H THR A 344 3.861 -2.121 -12.738 1.00 34.40 H new ATOM 0 HA THR A 344 3.082 -4.957 -12.596 1.00 43.12 H new ATOM 0 HB THR A 344 2.212 -2.526 -14.142 1.00 21.25 H new ATOM 0 HG1 THR A 344 0.199 -3.031 -13.063 1.00 55.15 H new ATOM 0 HG21 THR A 344 0.523 -3.937 -15.243 1.00 63.24 H new ATOM 0 HG22 THR A 344 2.183 -4.394 -15.695 1.00 63.24 H new ATOM 0 HG23 THR A 344 1.275 -5.382 -14.526 1.00 63.24 H new ATOM 729 N ARG A 345 5.092 -3.485 -14.749 1.00 24.51 N ATOM 730 CA ARG A 345 6.015 -3.736 -15.826 1.00 0.13 C ATOM 731 C ARG A 345 7.031 -2.660 -15.768 1.00 24.52 C ATOM 732 O ARG A 345 6.872 -1.688 -15.034 1.00 52.01 O ATOM 733 CB ARG A 345 5.359 -3.743 -17.237 1.00 40.52 C ATOM 734 CG ARG A 345 5.605 -5.033 -18.025 1.00 75.14 C ATOM 735 CD ARG A 345 6.251 -4.781 -19.389 1.00 64.11 C ATOM 736 NE ARG A 345 7.741 -4.747 -19.204 1.00 73.23 N ATOM 737 CZ ARG A 345 8.506 -5.868 -19.410 1.00 42.14 C ATOM 738 NH1 ARG A 345 7.916 -7.067 -19.745 1.00 41.43 N ATOM 739 NH2 ARG A 345 9.867 -5.789 -19.277 1.00 4.44 N ATOM 0 H ARG A 345 5.131 -2.542 -14.362 1.00 24.51 H new ATOM 0 HA ARG A 345 6.434 -4.733 -15.693 1.00 0.13 H new ATOM 0 HB2 ARG A 345 4.285 -3.593 -17.129 1.00 40.52 H new ATOM 0 HB3 ARG A 345 5.743 -2.899 -17.810 1.00 40.52 H new ATOM 0 HG2 ARG A 345 6.246 -5.693 -17.441 1.00 75.14 H new ATOM 0 HG3 ARG A 345 4.657 -5.553 -18.167 1.00 75.14 H new ATOM 0 HD2 ARG A 345 5.973 -5.566 -20.092 1.00 64.11 H new ATOM 0 HD3 ARG A 345 5.898 -3.839 -19.808 1.00 64.11 H new ATOM 0 HE ARG A 345 8.192 -3.877 -18.921 1.00 73.23 H new ATOM 0 HH11 ARG A 345 6.902 -7.127 -19.842 1.00 41.43 H new ATOM 0 HH12 ARG A 345 8.493 -7.895 -19.896 1.00 41.43 H new ATOM 0 HH21 ARG A 345 10.304 -4.902 -19.027 1.00 4.44 H new ATOM 0 HH22 ARG A 345 10.443 -6.617 -19.428 1.00 4.44 H new ATOM 753 N VAL A 346 8.091 -2.799 -16.561 1.00 34.30 N ATOM 754 CA VAL A 346 9.146 -1.839 -16.547 1.00 20.22 C ATOM 755 C VAL A 346 9.584 -1.640 -17.966 1.00 64.23 C ATOM 756 O VAL A 346 9.814 -2.599 -18.713 1.00 41.44 O ATOM 757 CB VAL A 346 10.339 -2.224 -15.650 1.00 22.53 C ATOM 758 CG1 VAL A 346 10.995 -3.542 -16.123 1.00 40.31 C ATOM 759 CG2 VAL A 346 11.339 -1.052 -15.586 1.00 44.52 C ATOM 0 H VAL A 346 8.225 -3.572 -17.213 1.00 34.30 H new ATOM 0 HA VAL A 346 8.765 -0.917 -16.109 1.00 20.22 H new ATOM 0 HB VAL A 346 9.982 -2.412 -14.638 1.00 22.53 H new ATOM 0 HG11 VAL A 346 11.833 -3.786 -15.470 1.00 40.31 H new ATOM 0 HG12 VAL A 346 10.261 -4.347 -16.088 1.00 40.31 H new ATOM 0 HG13 VAL A 346 11.354 -3.423 -17.145 1.00 40.31 H new ATOM 0 HG21 VAL A 346 12.181 -1.327 -14.951 1.00 44.52 H new ATOM 0 HG22 VAL A 346 11.699 -0.826 -16.590 1.00 44.52 H new ATOM 0 HG23 VAL A 346 10.844 -0.174 -15.172 1.00 44.52 H new ATOM 769 N ILE A 347 9.620 -0.378 -18.381 1.00 42.12 N ATOM 770 CA ILE A 347 10.092 -0.004 -19.670 1.00 60.23 C ATOM 771 C ILE A 347 11.410 0.682 -19.400 1.00 63.13 C ATOM 772 O ILE A 347 11.440 1.822 -18.931 1.00 53.02 O ATOM 773 CB ILE A 347 9.168 1.000 -20.353 1.00 15.40 C ATOM 774 CG1 ILE A 347 7.688 0.560 -20.259 1.00 12.44 C ATOM 775 CG2 ILE A 347 9.614 1.177 -21.805 1.00 1.03 C ATOM 776 CD1 ILE A 347 6.861 1.444 -19.341 1.00 60.32 C ATOM 0 H ILE A 347 9.314 0.409 -17.809 1.00 42.12 H new ATOM 0 HA ILE A 347 10.158 -0.874 -20.323 1.00 60.23 H new ATOM 0 HB ILE A 347 9.237 1.960 -19.841 1.00 15.40 H new ATOM 0 HG12 ILE A 347 7.248 0.570 -21.256 1.00 12.44 H new ATOM 0 HG13 ILE A 347 7.643 -0.468 -19.901 1.00 12.44 H new ATOM 0 HG21 ILE A 347 8.959 1.893 -22.302 1.00 1.03 H new ATOM 0 HG22 ILE A 347 10.639 1.546 -21.828 1.00 1.03 H new ATOM 0 HG23 ILE A 347 9.561 0.218 -22.321 1.00 1.03 H new ATOM 0 HD11 ILE A 347 5.833 1.083 -19.318 1.00 60.32 H new ATOM 0 HD12 ILE A 347 7.279 1.415 -18.335 1.00 60.32 H new ATOM 0 HD13 ILE A 347 6.878 2.469 -19.711 1.00 60.32 H new ATOM 788 N PRO A 348 12.522 -0.007 -19.633 1.00 41.14 N ATOM 789 CA PRO A 348 13.820 0.587 -19.405 1.00 43.13 C ATOM 790 C PRO A 348 14.169 1.597 -20.449 1.00 35.30 C ATOM 791 O PRO A 348 13.840 1.432 -21.633 1.00 25.30 O ATOM 792 CB PRO A 348 14.806 -0.590 -19.422 1.00 53.14 C ATOM 793 CG PRO A 348 14.111 -1.673 -20.240 1.00 51.43 C ATOM 794 CD PRO A 348 12.610 -1.400 -20.119 1.00 51.21 C ATOM 0 HA PRO A 348 13.844 1.132 -18.461 1.00 43.13 H new ATOM 0 HB2 PRO A 348 15.756 -0.303 -19.873 1.00 53.14 H new ATOM 0 HB3 PRO A 348 15.024 -0.937 -18.412 1.00 53.14 H new ATOM 0 HG2 PRO A 348 14.430 -1.640 -21.282 1.00 51.43 H new ATOM 0 HG3 PRO A 348 14.358 -2.665 -19.863 1.00 51.43 H new ATOM 0 HD2 PRO A 348 12.107 -1.517 -21.079 1.00 51.21 H new ATOM 0 HD3 PRO A 348 12.136 -2.093 -19.424 1.00 51.21 H new ATOM 802 N LEU A 349 14.852 2.654 -20.038 1.00 53.12 N ATOM 803 CA LEU A 349 15.235 3.682 -20.941 1.00 21.10 C ATOM 804 C LEU A 349 16.710 3.637 -20.877 1.00 60.53 C ATOM 805 O LEU A 349 17.300 4.218 -19.986 1.00 41.33 O ATOM 806 CB LEU A 349 14.755 5.096 -20.499 1.00 23.30 C ATOM 807 CG LEU A 349 13.439 5.553 -21.177 1.00 64.42 C ATOM 808 CD1 LEU A 349 12.347 4.469 -21.201 1.00 32.20 C ATOM 809 CD2 LEU A 349 12.913 6.875 -20.601 1.00 2.21 C ATOM 0 H LEU A 349 15.146 2.806 -19.073 1.00 53.12 H new ATOM 0 HA LEU A 349 14.803 3.524 -21.929 1.00 21.10 H new ATOM 0 HB2 LEU A 349 14.616 5.100 -19.418 1.00 23.30 H new ATOM 0 HB3 LEU A 349 15.538 5.821 -20.722 1.00 23.30 H new ATOM 0 HG LEU A 349 13.704 5.733 -22.219 1.00 64.42 H new ATOM 0 HD11 LEU A 349 11.456 4.861 -21.691 1.00 32.20 H new ATOM 0 HD12 LEU A 349 12.709 3.600 -21.749 1.00 32.20 H new ATOM 0 HD13 LEU A 349 12.101 4.177 -20.180 1.00 32.20 H new ATOM 0 HD21 LEU A 349 11.989 7.152 -21.110 1.00 2.21 H new ATOM 0 HD22 LEU A 349 12.719 6.756 -19.535 1.00 2.21 H new ATOM 0 HD23 LEU A 349 13.657 7.658 -20.749 1.00 2.21 H new ATOM 821 N TYR A 350 17.351 2.965 -21.835 1.00 0.44 N ATOM 822 CA TYR A 350 18.781 2.847 -21.796 1.00 72.32 C ATOM 823 C TYR A 350 19.288 3.976 -22.591 1.00 45.21 C ATOM 824 O TYR A 350 18.758 4.269 -23.670 1.00 60.21 O ATOM 825 CB TYR A 350 19.306 1.533 -22.416 1.00 4.41 C ATOM 826 CG TYR A 350 18.875 0.297 -21.666 1.00 12.51 C ATOM 827 CD1 TYR A 350 19.146 0.170 -20.322 1.00 71.23 C ATOM 828 CD2 TYR A 350 18.199 -0.731 -22.306 1.00 43.54 C ATOM 829 CE1 TYR A 350 18.758 -0.947 -19.638 1.00 4.31 C ATOM 830 CE2 TYR A 350 17.815 -1.851 -21.610 1.00 43.21 C ATOM 831 CZ TYR A 350 18.096 -1.957 -20.275 1.00 41.13 C ATOM 832 OH TYR A 350 17.702 -3.103 -19.553 1.00 34.11 O ATOM 0 H TYR A 350 16.899 2.508 -22.627 1.00 0.44 H new ATOM 0 HA TYR A 350 19.115 2.848 -20.758 1.00 72.32 H new ATOM 0 HB2 TYR A 350 18.958 1.463 -23.446 1.00 4.41 H new ATOM 0 HB3 TYR A 350 20.395 1.566 -22.449 1.00 4.41 H new ATOM 0 HD1 TYR A 350 19.670 0.960 -19.804 1.00 71.23 H new ATOM 0 HD2 TYR A 350 17.973 -0.650 -23.359 1.00 43.54 H new ATOM 0 HE1 TYR A 350 18.977 -1.032 -18.584 1.00 4.31 H new ATOM 0 HE2 TYR A 350 17.291 -2.648 -22.116 1.00 43.21 H new ATOM 0 HH TYR A 350 17.241 -3.726 -20.153 1.00 34.11 H new ATOM 842 N ASN A 351 20.316 4.640 -22.086 1.00 24.45 N ATOM 843 CA ASN A 351 20.831 5.810 -22.722 1.00 20.31 C ATOM 844 C ASN A 351 22.285 5.808 -22.414 1.00 73.13 C ATOM 845 O ASN A 351 22.736 6.392 -21.430 1.00 32.42 O ATOM 846 CB ASN A 351 20.204 7.110 -22.146 1.00 63.41 C ATOM 847 CG ASN A 351 19.882 8.131 -23.212 1.00 2.31 C ATOM 848 OD1 ASN A 351 20.642 9.073 -23.425 1.00 43.02 O ATOM 849 ND2 ASN A 351 18.741 7.961 -23.903 1.00 13.00 N ATOM 0 H ASN A 351 20.803 4.374 -21.230 1.00 24.45 H new ATOM 0 HA ASN A 351 20.608 5.794 -23.789 1.00 20.31 H new ATOM 0 HB2 ASN A 351 19.292 6.858 -21.604 1.00 63.41 H new ATOM 0 HB3 ASN A 351 20.892 7.550 -21.425 1.00 63.41 H new ATOM 0 HD21 ASN A 351 18.482 8.626 -24.632 1.00 13.00 H new ATOM 0 HD22 ASN A 351 18.134 7.167 -23.699 1.00 13.00 H new ATOM 856 N SER A 352 23.055 5.153 -23.245 1.00 51.13 N ATOM 857 CA SER A 352 24.466 5.034 -23.001 1.00 4.42 C ATOM 858 C SER A 352 25.138 4.928 -24.376 1.00 21.35 C ATOM 859 O SER A 352 24.770 5.741 -25.279 1.00 0.00 O ATOM 860 CB SER A 352 24.827 3.772 -22.175 1.00 40.32 C ATOM 861 OG SER A 352 24.126 3.753 -20.921 1.00 71.31 O ATOM 862 OXT SER A 352 26.021 4.047 -24.550 1.00 0.00 O ATOM 0 H SER A 352 22.727 4.695 -24.095 1.00 51.13 H new ATOM 0 HA SER A 352 24.802 5.897 -22.426 1.00 4.42 H new ATOM 0 HB2 SER A 352 24.580 2.877 -22.746 1.00 40.32 H new ATOM 0 HB3 SER A 352 25.902 3.748 -21.994 1.00 40.32 H new ATOM 0 HG SER A 352 24.371 2.946 -20.421 1.00 71.31 H new TER 868 SER A 352 HETATM 869 ZN ZN A 500 19.386 3.903 -9.166 1.00 0.00 ZN HETATM 870 ZN ZN A 501 3.645 5.861 -9.987 1.00 0.00 ZN