USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 423 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 Set 1.1: A 786 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 841 TYR OH : rot 180:sc= 0 USER MOD Single : A 788 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 791 TYR OH : rot 180:sc= 0 USER MOD Single : A 794 CYS SG : rot 180:sc= 0 USER MOD Single : A 799 SER OG : rot 180:sc= 0 USER MOD Single : A 802 SER OG : rot 180:sc= 0 USER MOD Single : A 804 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 810 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 813 ASN : amide:sc= -0.238 X(o=-0.24,f=0) USER MOD Single : A 814 LYS NZ :NH3+ 175:sc= -0.0321 (180deg=-0.053) USER MOD Single : A 826 TYR OH : rot 118:sc= 1.21 USER MOD Single : A 834 SER OG : rot 180:sc= 0 USER MOD Single : A 835 ASN : amide:sc= -0.0845 K(o=-0.085,f=-0.79) USER MOD Single : A 836 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N GLY A 785 4.106 11.301 -6.629 1.00 70.41 N ATOM 64 CA GLY A 785 4.142 12.616 -7.245 1.00 52.03 C ATOM 65 C GLY A 785 5.076 12.629 -8.457 1.00 22.22 C ATOM 66 O GLY A 785 4.892 11.855 -9.395 1.00 43.22 O ATOM 0 HA2 GLY A 785 3.137 12.905 -7.553 1.00 52.03 H new ATOM 0 HA3 GLY A 785 4.476 13.354 -6.516 1.00 52.03 H new ATOM 70 N THR A 786 6.058 13.516 -8.397 1.00 25.11 N ATOM 71 CA THR A 786 7.022 13.640 -9.477 1.00 60.45 C ATOM 72 C THR A 786 8.421 13.902 -8.917 1.00 1.31 C ATOM 73 O THR A 786 8.608 13.949 -7.702 1.00 43.31 O ATOM 74 CB THR A 786 6.531 14.736 -10.425 1.00 64.12 C ATOM 75 OG1 THR A 786 6.034 15.749 -9.556 1.00 2.52 O ATOM 76 CG2 THR A 786 5.306 14.305 -11.234 1.00 43.34 C ATOM 0 H THR A 786 6.207 14.156 -7.617 1.00 25.11 H new ATOM 0 HA THR A 786 7.103 12.712 -10.043 1.00 60.45 H new ATOM 0 HB THR A 786 7.336 15.014 -11.106 1.00 64.12 H new ATOM 0 HG1 THR A 786 5.697 16.500 -10.088 1.00 2.52 H new ATOM 0 HG21 THR A 786 4.999 15.119 -11.890 1.00 43.34 H new ATOM 0 HG22 THR A 786 5.556 13.430 -11.834 1.00 43.34 H new ATOM 0 HG23 THR A 786 4.490 14.059 -10.555 1.00 43.34 H new ATOM 84 N ALA A 787 9.368 14.067 -9.829 1.00 71.40 N ATOM 85 CA ALA A 787 10.744 14.323 -9.441 1.00 4.40 C ATOM 86 C ALA A 787 11.412 15.205 -10.498 1.00 53.51 C ATOM 87 O ALA A 787 11.656 14.761 -11.619 1.00 35.22 O ATOM 88 CB ALA A 787 11.476 12.994 -9.244 1.00 40.14 C ATOM 0 H ALA A 787 9.209 14.028 -10.836 1.00 71.40 H new ATOM 0 HA ALA A 787 10.781 14.859 -8.493 1.00 4.40 H new ATOM 0 HB1 ALA A 787 12.509 13.187 -8.953 1.00 40.14 H new ATOM 0 HB2 ALA A 787 10.980 12.418 -8.463 1.00 40.14 H new ATOM 0 HB3 ALA A 787 11.461 12.429 -10.176 1.00 40.14 H new ATOM 94 N LYS A 788 11.688 16.440 -10.104 1.00 61.21 N ATOM 95 CA LYS A 788 12.322 17.388 -11.004 1.00 4.32 C ATOM 96 C LYS A 788 13.827 17.113 -11.050 1.00 11.55 C ATOM 97 O LYS A 788 14.504 17.174 -10.024 1.00 40.25 O ATOM 98 CB LYS A 788 11.971 18.823 -10.604 1.00 62.14 C ATOM 99 CG LYS A 788 11.863 19.724 -11.836 1.00 40.02 C ATOM 100 CD LYS A 788 10.898 20.884 -11.584 1.00 3.44 C ATOM 101 CE LYS A 788 11.355 22.147 -12.317 1.00 5.01 C ATOM 102 NZ LYS A 788 10.374 23.239 -12.130 1.00 20.11 N ATOM 0 H LYS A 788 11.484 16.806 -9.174 1.00 61.21 H new ATOM 0 HA LYS A 788 11.943 17.262 -12.018 1.00 4.32 H new ATOM 0 HB2 LYS A 788 11.027 18.832 -10.059 1.00 62.14 H new ATOM 0 HB3 LYS A 788 12.733 19.213 -9.929 1.00 62.14 H new ATOM 0 HG2 LYS A 788 12.848 20.115 -12.093 1.00 40.02 H new ATOM 0 HG3 LYS A 788 11.520 19.139 -12.689 1.00 40.02 H new ATOM 0 HD2 LYS A 788 9.897 20.608 -11.917 1.00 3.44 H new ATOM 0 HD3 LYS A 788 10.835 21.083 -10.514 1.00 3.44 H new ATOM 0 HE2 LYS A 788 12.330 22.459 -11.943 1.00 5.01 H new ATOM 0 HE3 LYS A 788 11.474 21.935 -13.380 1.00 5.01 H new ATOM 0 HZ1 LYS A 788 10.700 24.088 -12.634 1.00 20.11 H new ATOM 0 HZ2 LYS A 788 9.451 22.945 -12.508 1.00 20.11 H new ATOM 0 HZ3 LYS A 788 10.281 23.452 -11.116 1.00 20.11 H new ATOM 115 N ALA A 789 14.306 16.817 -12.249 1.00 33.02 N ATOM 116 CA ALA A 789 15.718 16.533 -12.442 1.00 35.44 C ATOM 117 C ALA A 789 16.533 17.790 -12.134 1.00 42.01 C ATOM 118 O ALA A 789 16.176 18.886 -12.563 1.00 10.22 O ATOM 119 CB ALA A 789 15.946 16.023 -13.866 1.00 50.31 C ATOM 0 H ALA A 789 13.741 16.768 -13.097 1.00 33.02 H new ATOM 0 HA ALA A 789 16.049 15.751 -11.759 1.00 35.44 H new ATOM 0 HB1 ALA A 789 17.005 15.810 -14.011 1.00 50.31 H new ATOM 0 HB2 ALA A 789 15.368 15.112 -14.023 1.00 50.31 H new ATOM 0 HB3 ALA A 789 15.628 16.783 -14.580 1.00 50.31 H new ATOM 125 N ARG A 790 17.614 17.590 -11.394 1.00 35.52 N ATOM 126 CA ARG A 790 18.483 18.694 -11.024 1.00 71.50 C ATOM 127 C ARG A 790 19.798 18.617 -11.802 1.00 1.11 C ATOM 128 O ARG A 790 20.623 19.527 -11.725 1.00 74.41 O ATOM 129 CB ARG A 790 18.784 18.679 -9.524 1.00 72.10 C ATOM 130 CG ARG A 790 17.692 19.408 -8.739 1.00 33.25 C ATOM 131 CD ARG A 790 17.846 20.925 -8.864 1.00 73.12 C ATOM 132 NE ARG A 790 18.667 21.444 -7.748 1.00 42.31 N ATOM 133 CZ ARG A 790 18.770 22.752 -7.428 1.00 73.15 C ATOM 134 NH1 ARG A 790 18.102 23.685 -8.139 1.00 54.31 N ATOM 135 NH2 ARG A 790 19.533 23.104 -6.411 1.00 11.13 N ATOM 0 H ARG A 790 17.908 16.679 -11.041 1.00 35.52 H new ATOM 0 HA ARG A 790 17.965 19.621 -11.270 1.00 71.50 H new ATOM 0 HB2 ARG A 790 18.862 17.649 -9.175 1.00 72.10 H new ATOM 0 HB3 ARG A 790 19.748 19.152 -9.338 1.00 72.10 H new ATOM 0 HG2 ARG A 790 16.712 19.107 -9.108 1.00 33.25 H new ATOM 0 HG3 ARG A 790 17.740 19.119 -7.689 1.00 33.25 H new ATOM 0 HD2 ARG A 790 18.313 21.174 -9.817 1.00 73.12 H new ATOM 0 HD3 ARG A 790 16.865 21.400 -8.856 1.00 73.12 H new ATOM 0 HE ARG A 790 19.188 20.772 -7.185 1.00 42.31 H new ATOM 0 HH11 ARG A 790 17.514 23.404 -8.924 1.00 54.31 H new ATOM 0 HH12 ARG A 790 18.185 24.671 -7.891 1.00 54.31 H new ATOM 0 HH21 ARG A 790 20.034 22.392 -5.879 1.00 11.13 H new ATOM 0 HH22 ARG A 790 19.622 24.088 -6.156 1.00 11.13 H new ATOM 148 N TYR A 791 19.953 17.523 -12.533 1.00 44.22 N ATOM 149 CA TYR A 791 21.154 17.316 -13.324 1.00 45.24 C ATOM 150 C TYR A 791 20.821 16.659 -14.665 1.00 42.34 C ATOM 151 O TYR A 791 20.039 15.712 -14.719 1.00 75.11 O ATOM 152 CB TYR A 791 22.037 16.368 -12.511 1.00 21.42 C ATOM 153 CG TYR A 791 22.396 16.892 -11.119 1.00 33.42 C ATOM 154 CD1 TYR A 791 21.533 16.687 -10.061 1.00 64.00 C ATOM 155 CD2 TYR A 791 23.582 17.569 -10.921 1.00 11.10 C ATOM 156 CE1 TYR A 791 21.871 17.180 -8.751 1.00 10.20 C ATOM 157 CE2 TYR A 791 23.919 18.062 -9.611 1.00 5.41 C ATOM 158 CZ TYR A 791 23.047 17.844 -8.591 1.00 24.44 C ATOM 159 OH TYR A 791 23.366 18.309 -7.353 1.00 42.43 O ATOM 0 H TYR A 791 19.267 16.771 -12.594 1.00 44.22 H new ATOM 0 HA TYR A 791 21.644 18.267 -13.533 1.00 45.24 H new ATOM 0 HB2 TYR A 791 21.525 15.411 -12.407 1.00 21.42 H new ATOM 0 HB3 TYR A 791 22.956 16.179 -13.065 1.00 21.42 H new ATOM 0 HD1 TYR A 791 20.605 16.157 -10.216 1.00 64.00 H new ATOM 0 HD2 TYR A 791 24.257 17.729 -11.749 1.00 11.10 H new ATOM 0 HE1 TYR A 791 21.206 17.026 -7.914 1.00 10.20 H new ATOM 0 HE2 TYR A 791 24.844 18.593 -9.442 1.00 5.41 H new ATOM 0 HH TYR A 791 24.235 18.762 -7.387 1.00 42.43 H new ATOM 169 N ASP A 792 21.432 17.189 -15.715 1.00 71.43 N ATOM 170 CA ASP A 792 21.210 16.666 -17.053 1.00 32.44 C ATOM 171 C ASP A 792 21.817 15.265 -17.155 1.00 42.12 C ATOM 172 O ASP A 792 23.021 15.120 -17.364 1.00 12.34 O ATOM 173 CB ASP A 792 21.878 17.549 -18.108 1.00 3.24 C ATOM 174 CG ASP A 792 23.262 18.078 -17.725 1.00 40.44 C ATOM 175 OD1 ASP A 792 23.773 19.029 -18.336 1.00 23.11 O ATOM 176 OD2 ASP A 792 23.828 17.464 -16.742 1.00 40.32 O ATOM 0 H ASP A 792 22.080 17.975 -15.666 1.00 71.43 H new ATOM 0 HA ASP A 792 20.135 16.642 -17.232 1.00 32.44 H new ATOM 0 HB2 ASP A 792 21.966 16.980 -19.034 1.00 3.24 H new ATOM 0 HB3 ASP A 792 21.226 18.397 -18.316 1.00 3.24 H new ATOM 182 N PHE A 793 20.957 14.269 -17.004 1.00 53.10 N ATOM 183 CA PHE A 793 21.393 12.885 -17.077 1.00 44.10 C ATOM 184 C PHE A 793 21.461 12.407 -18.529 1.00 1.30 C ATOM 185 O PHE A 793 21.133 13.156 -19.448 1.00 72.44 O ATOM 186 CB PHE A 793 20.356 12.049 -16.325 1.00 62.32 C ATOM 187 CG PHE A 793 20.928 10.788 -15.673 1.00 52.00 C ATOM 188 CD1 PHE A 793 22.117 10.842 -15.015 1.00 51.21 C ATOM 189 CD2 PHE A 793 20.247 9.613 -15.751 1.00 51.43 C ATOM 190 CE1 PHE A 793 22.647 9.672 -14.410 1.00 4.30 C ATOM 191 CE2 PHE A 793 20.777 8.443 -15.146 1.00 44.52 C ATOM 192 CZ PHE A 793 21.966 8.498 -14.488 1.00 65.43 C ATOM 0 H PHE A 793 19.959 14.393 -16.831 1.00 53.10 H new ATOM 0 HA PHE A 793 22.388 12.785 -16.643 1.00 44.10 H new ATOM 0 HB2 PHE A 793 19.895 12.667 -15.554 1.00 62.32 H new ATOM 0 HB3 PHE A 793 19.565 11.761 -17.017 1.00 62.32 H new ATOM 0 HD1 PHE A 793 22.658 11.775 -14.953 1.00 51.21 H new ATOM 0 HD2 PHE A 793 19.303 9.570 -16.273 1.00 51.43 H new ATOM 0 HE1 PHE A 793 23.591 9.715 -13.888 1.00 4.30 H new ATOM 0 HE2 PHE A 793 20.236 7.510 -15.208 1.00 44.52 H new ATOM 0 HZ PHE A 793 22.369 7.608 -14.027 1.00 65.43 H new ATOM 202 N CYS A 794 21.889 11.164 -18.690 1.00 21.21 N ATOM 203 CA CYS A 794 22.004 10.577 -20.014 1.00 40.43 C ATOM 204 C CYS A 794 21.830 9.063 -19.886 1.00 21.22 C ATOM 205 O CYS A 794 22.688 8.381 -19.326 1.00 53.23 O ATOM 206 CB CYS A 794 23.330 10.945 -20.683 1.00 25.15 C ATOM 207 SG CYS A 794 23.158 10.865 -22.503 1.00 34.14 S ATOM 0 H CYS A 794 22.161 10.547 -17.925 1.00 21.21 H new ATOM 0 HA CYS A 794 21.223 10.977 -20.661 1.00 40.43 H new ATOM 0 HB2 CYS A 794 23.632 11.948 -20.382 1.00 25.15 H new ATOM 0 HB3 CYS A 794 24.114 10.263 -20.354 1.00 25.15 H new ATOM 0 HG CYS A 794 24.289 11.182 -23.060 1.00 34.14 H new ATOM 213 N ALA A 795 20.715 8.580 -20.413 1.00 55.52 N ATOM 214 CA ALA A 795 20.417 7.159 -20.364 1.00 42.04 C ATOM 215 C ALA A 795 21.188 6.443 -21.475 1.00 73.24 C ATOM 216 O ALA A 795 21.286 6.948 -22.592 1.00 44.15 O ATOM 217 CB ALA A 795 18.906 6.949 -20.475 1.00 14.43 C ATOM 0 H ALA A 795 20.006 9.148 -20.877 1.00 55.52 H new ATOM 0 HA ALA A 795 20.736 6.733 -19.413 1.00 42.04 H new ATOM 0 HB1 ALA A 795 18.683 5.883 -20.438 1.00 14.43 H new ATOM 0 HB2 ALA A 795 18.407 7.453 -19.647 1.00 14.43 H new ATOM 0 HB3 ALA A 795 18.550 7.362 -21.419 1.00 14.43 H new ATOM 223 N ARG A 796 21.714 5.277 -21.130 1.00 1.11 N ATOM 224 CA ARG A 796 22.473 4.486 -22.084 1.00 51.30 C ATOM 225 C ARG A 796 21.776 3.148 -22.338 1.00 12.24 C ATOM 226 O ARG A 796 22.181 2.390 -23.217 1.00 41.03 O ATOM 227 CB ARG A 796 23.893 4.226 -21.578 1.00 31.13 C ATOM 228 CG ARG A 796 23.940 4.237 -20.048 1.00 45.44 C ATOM 229 CD ARG A 796 23.210 3.025 -19.468 1.00 61.40 C ATOM 230 NE ARG A 796 23.832 1.776 -19.961 1.00 70.53 N ATOM 231 CZ ARG A 796 23.478 0.540 -19.549 1.00 60.31 C ATOM 232 NH1 ARG A 796 22.502 0.377 -18.631 1.00 55.21 N ATOM 233 NH2 ARG A 796 24.101 -0.507 -20.057 1.00 21.31 N ATOM 0 H ARG A 796 21.630 4.861 -20.203 1.00 1.11 H new ATOM 0 HA ARG A 796 22.529 5.052 -23.014 1.00 51.30 H new ATOM 0 HB2 ARG A 796 24.245 3.264 -21.949 1.00 31.13 H new ATOM 0 HB3 ARG A 796 24.568 4.986 -21.972 1.00 31.13 H new ATOM 0 HG2 ARG A 796 24.977 4.236 -19.713 1.00 45.44 H new ATOM 0 HG3 ARG A 796 23.485 5.154 -19.673 1.00 45.44 H new ATOM 0 HD2 ARG A 796 23.247 3.054 -18.379 1.00 61.40 H new ATOM 0 HD3 ARG A 796 22.158 3.054 -19.752 1.00 61.40 H new ATOM 0 HE ARG A 796 24.575 1.854 -20.656 1.00 70.53 H new ATOM 0 HH11 ARG A 796 22.026 1.191 -18.243 1.00 55.21 H new ATOM 0 HH12 ARG A 796 22.241 -0.560 -18.325 1.00 55.21 H new ATOM 0 HH21 ARG A 796 24.838 -0.375 -20.750 1.00 21.31 H new ATOM 0 HH22 ARG A 796 23.846 -1.448 -19.756 1.00 21.31 H new ATOM 246 N ASP A 797 20.739 2.899 -21.551 1.00 62.20 N ATOM 247 CA ASP A 797 19.982 1.665 -21.679 1.00 50.34 C ATOM 248 C ASP A 797 18.557 1.891 -21.169 1.00 25.03 C ATOM 249 O ASP A 797 18.291 2.871 -20.474 1.00 61.25 O ATOM 250 CB ASP A 797 20.610 0.545 -20.849 1.00 20.44 C ATOM 251 CG ASP A 797 19.953 -0.827 -21.012 1.00 31.41 C ATOM 252 OD1 ASP A 797 19.131 -1.244 -20.183 1.00 34.52 O ATOM 253 OD2 ASP A 797 20.322 -1.488 -22.057 1.00 53.41 O ATOM 0 H ASP A 797 20.405 3.531 -20.823 1.00 62.20 H new ATOM 0 HA ASP A 797 19.982 1.377 -22.730 1.00 50.34 H new ATOM 0 HB2 ASP A 797 21.663 0.461 -21.117 1.00 20.44 H new ATOM 0 HB3 ASP A 797 20.571 0.827 -19.797 1.00 20.44 H new ATOM 259 N ARG A 798 17.680 0.968 -21.532 1.00 75.22 N ATOM 260 CA ARG A 798 16.289 1.054 -21.120 1.00 30.45 C ATOM 261 C ARG A 798 16.177 0.918 -19.600 1.00 0.24 C ATOM 262 O ARG A 798 15.164 1.294 -19.012 1.00 75.24 O ATOM 263 CB ARG A 798 15.449 -0.038 -21.785 1.00 55.12 C ATOM 264 CG ARG A 798 15.867 -1.426 -21.297 1.00 62.33 C ATOM 265 CD ARG A 798 15.290 -2.521 -22.197 1.00 41.23 C ATOM 266 NE ARG A 798 15.686 -3.854 -21.690 1.00 53.24 N ATOM 267 CZ ARG A 798 16.850 -4.465 -21.996 1.00 41.31 C ATOM 268 NH1 ARG A 798 17.745 -3.866 -22.811 1.00 33.12 N ATOM 269 NH2 ARG A 798 17.101 -5.656 -21.487 1.00 33.44 N ATOM 0 H ARG A 798 17.905 0.156 -22.107 1.00 75.22 H new ATOM 0 HA ARG A 798 15.911 2.028 -21.431 1.00 30.45 H new ATOM 0 HB2 ARG A 798 14.394 0.126 -21.566 1.00 55.12 H new ATOM 0 HB3 ARG A 798 15.562 0.020 -22.868 1.00 55.12 H new ATOM 0 HG2 ARG A 798 16.955 -1.498 -21.282 1.00 62.33 H new ATOM 0 HG3 ARG A 798 15.524 -1.574 -20.273 1.00 62.33 H new ATOM 0 HD2 ARG A 798 14.203 -2.443 -22.228 1.00 41.23 H new ATOM 0 HD3 ARG A 798 15.648 -2.390 -23.218 1.00 41.23 H new ATOM 0 HE ARG A 798 15.039 -4.341 -21.071 1.00 53.24 H new ATOM 0 HH11 ARG A 798 17.544 -2.945 -23.200 1.00 33.12 H new ATOM 0 HH12 ARG A 798 18.622 -4.335 -23.037 1.00 33.12 H new ATOM 0 HH21 ARG A 798 16.420 -6.102 -20.872 1.00 33.44 H new ATOM 0 HH22 ARG A 798 17.976 -6.131 -21.708 1.00 33.44 H new ATOM 282 N SER A 799 17.232 0.381 -19.006 1.00 65.41 N ATOM 283 CA SER A 799 17.265 0.191 -17.566 1.00 4.02 C ATOM 284 C SER A 799 17.466 1.536 -16.865 1.00 52.44 C ATOM 285 O SER A 799 17.369 1.624 -15.642 1.00 53.23 O ATOM 286 CB SER A 799 18.372 -0.786 -17.164 1.00 72.42 C ATOM 287 OG SER A 799 19.664 -0.190 -17.240 1.00 20.51 O ATOM 0 H SER A 799 18.071 0.071 -19.496 1.00 65.41 H new ATOM 0 HA SER A 799 16.311 -0.235 -17.256 1.00 4.02 H new ATOM 0 HB2 SER A 799 18.194 -1.137 -16.148 1.00 72.42 H new ATOM 0 HB3 SER A 799 18.337 -1.660 -17.814 1.00 72.42 H new ATOM 0 HG SER A 799 20.343 -0.845 -16.974 1.00 20.51 H new ATOM 293 N GLU A 800 17.742 2.551 -17.671 1.00 12.40 N ATOM 294 CA GLU A 800 17.957 3.888 -17.144 1.00 13.31 C ATOM 295 C GLU A 800 16.904 4.852 -17.695 1.00 72.12 C ATOM 296 O GLU A 800 16.390 4.652 -18.795 1.00 12.33 O ATOM 297 CB GLU A 800 19.370 4.382 -17.460 1.00 21.54 C ATOM 298 CG GLU A 800 19.842 5.397 -16.417 1.00 23.32 C ATOM 299 CD GLU A 800 20.623 4.708 -15.295 1.00 70.05 C ATOM 300 OE1 GLU A 800 20.038 4.347 -14.264 1.00 35.12 O ATOM 301 OE2 GLU A 800 21.883 4.551 -15.525 1.00 74.20 O ATOM 0 H GLU A 800 17.822 2.474 -18.685 1.00 12.40 H new ATOM 0 HA GLU A 800 17.855 3.850 -16.059 1.00 13.31 H new ATOM 0 HB2 GLU A 800 20.057 3.536 -17.487 1.00 21.54 H new ATOM 0 HB3 GLU A 800 19.387 4.838 -18.450 1.00 21.54 H new ATOM 0 HG2 GLU A 800 20.471 6.148 -16.894 1.00 23.32 H new ATOM 0 HG3 GLU A 800 18.982 5.920 -15.998 1.00 23.32 H new ATOM 309 N LEU A 801 16.614 5.876 -16.906 1.00 61.01 N ATOM 310 CA LEU A 801 15.632 6.871 -17.301 1.00 73.05 C ATOM 311 C LEU A 801 16.354 8.118 -17.816 1.00 32.11 C ATOM 312 O LEU A 801 17.354 8.542 -17.240 1.00 4.11 O ATOM 313 CB LEU A 801 14.662 7.152 -16.152 1.00 54.33 C ATOM 314 CG LEU A 801 13.224 7.488 -16.555 1.00 21.41 C ATOM 315 CD1 LEU A 801 12.384 7.856 -15.331 1.00 35.53 C ATOM 316 CD2 LEU A 801 13.195 8.585 -17.621 1.00 30.31 C ATOM 0 H LEU A 801 17.042 6.038 -15.995 1.00 61.01 H new ATOM 0 HA LEU A 801 15.019 6.496 -18.121 1.00 73.05 H new ATOM 0 HB2 LEU A 801 14.641 6.279 -15.499 1.00 54.33 H new ATOM 0 HB3 LEU A 801 15.057 7.981 -15.564 1.00 54.33 H new ATOM 0 HG LEU A 801 12.776 6.598 -16.997 1.00 21.41 H new ATOM 0 HD11 LEU A 801 11.367 8.090 -15.645 1.00 35.53 H new ATOM 0 HD12 LEU A 801 12.365 7.016 -14.637 1.00 35.53 H new ATOM 0 HD13 LEU A 801 12.821 8.724 -14.838 1.00 35.53 H new ATOM 0 HD21 LEU A 801 12.162 8.804 -17.889 1.00 30.31 H new ATOM 0 HD22 LEU A 801 13.667 9.486 -17.229 1.00 30.31 H new ATOM 0 HD23 LEU A 801 13.736 8.247 -18.505 1.00 30.31 H new ATOM 328 N SER A 802 15.818 8.670 -18.895 1.00 2.04 N ATOM 329 CA SER A 802 16.399 9.860 -19.493 1.00 70.12 C ATOM 330 C SER A 802 16.010 11.097 -18.681 1.00 40.15 C ATOM 331 O SER A 802 14.878 11.570 -18.767 1.00 74.43 O ATOM 332 CB SER A 802 15.953 10.018 -20.948 1.00 43.02 C ATOM 333 OG SER A 802 16.975 10.591 -21.760 1.00 71.53 O ATOM 0 H SER A 802 14.988 8.315 -19.370 1.00 2.04 H new ATOM 0 HA SER A 802 17.484 9.754 -19.483 1.00 70.12 H new ATOM 0 HB2 SER A 802 15.674 9.044 -21.350 1.00 43.02 H new ATOM 0 HB3 SER A 802 15.063 10.646 -20.988 1.00 43.02 H new ATOM 0 HG SER A 802 16.652 10.674 -22.682 1.00 71.53 H new ATOM 339 N LEU A 803 16.971 11.587 -17.912 1.00 30.52 N ATOM 340 CA LEU A 803 16.743 12.760 -17.085 1.00 63.33 C ATOM 341 C LEU A 803 17.353 13.986 -17.768 1.00 61.52 C ATOM 342 O LEU A 803 18.326 13.867 -18.511 1.00 24.21 O ATOM 343 CB LEU A 803 17.263 12.524 -15.666 1.00 4.32 C ATOM 344 CG LEU A 803 16.222 12.088 -14.634 1.00 13.15 C ATOM 345 CD1 LEU A 803 15.238 11.084 -15.238 1.00 23.24 C ATOM 346 CD2 LEU A 803 16.894 11.544 -13.372 1.00 25.31 C ATOM 0 H LEU A 803 17.909 11.193 -17.844 1.00 30.52 H new ATOM 0 HA LEU A 803 15.675 12.951 -16.980 1.00 63.33 H new ATOM 0 HB2 LEU A 803 18.044 11.765 -15.708 1.00 4.32 H new ATOM 0 HB3 LEU A 803 17.731 13.443 -15.314 1.00 4.32 H new ATOM 0 HG LEU A 803 15.646 12.965 -14.339 1.00 13.15 H new ATOM 0 HD11 LEU A 803 14.509 10.790 -14.483 1.00 23.24 H new ATOM 0 HD12 LEU A 803 14.722 11.542 -16.082 1.00 23.24 H new ATOM 0 HD13 LEU A 803 15.781 10.203 -15.580 1.00 23.24 H new ATOM 0 HD21 LEU A 803 16.131 11.241 -12.655 1.00 25.31 H new ATOM 0 HD22 LEU A 803 17.511 10.683 -13.630 1.00 25.31 H new ATOM 0 HD23 LEU A 803 17.520 12.319 -12.930 1.00 25.31 H new ATOM 358 N LYS A 804 16.755 15.135 -17.492 1.00 45.45 N ATOM 359 CA LYS A 804 17.228 16.382 -18.071 1.00 74.10 C ATOM 360 C LYS A 804 16.782 17.550 -17.188 1.00 63.44 C ATOM 361 O LYS A 804 15.587 17.771 -17.003 1.00 12.51 O ATOM 362 CB LYS A 804 16.773 16.503 -19.527 1.00 12.02 C ATOM 363 CG LYS A 804 17.797 17.277 -20.359 1.00 5.13 C ATOM 364 CD LYS A 804 17.113 18.064 -21.478 1.00 12.21 C ATOM 365 CE LYS A 804 16.748 17.149 -22.648 1.00 72.40 C ATOM 366 NZ LYS A 804 15.866 17.856 -23.604 1.00 24.30 N ATOM 0 H LYS A 804 15.948 15.230 -16.876 1.00 45.45 H new ATOM 0 HA LYS A 804 18.317 16.400 -18.099 1.00 74.10 H new ATOM 0 HB2 LYS A 804 16.631 15.509 -19.951 1.00 12.02 H new ATOM 0 HB3 LYS A 804 15.808 17.008 -19.569 1.00 12.02 H new ATOM 0 HG2 LYS A 804 18.352 17.960 -19.716 1.00 5.13 H new ATOM 0 HG3 LYS A 804 18.521 16.584 -20.787 1.00 5.13 H new ATOM 0 HD2 LYS A 804 16.213 18.544 -21.093 1.00 12.21 H new ATOM 0 HD3 LYS A 804 17.774 18.858 -21.825 1.00 12.21 H new ATOM 0 HE2 LYS A 804 17.654 16.819 -23.156 1.00 72.40 H new ATOM 0 HE3 LYS A 804 16.248 16.255 -22.276 1.00 72.40 H new ATOM 0 HZ1 LYS A 804 15.628 17.220 -24.392 1.00 24.30 H new ATOM 0 HZ2 LYS A 804 14.993 18.149 -23.120 1.00 24.30 H new ATOM 0 HZ3 LYS A 804 16.356 18.696 -23.973 1.00 24.30 H new ATOM 379 N GLU A 805 17.768 18.266 -16.668 1.00 21.54 N ATOM 380 CA GLU A 805 17.493 19.405 -15.809 1.00 72.00 C ATOM 381 C GLU A 805 16.287 20.187 -16.335 1.00 22.34 C ATOM 382 O GLU A 805 16.182 20.440 -17.534 1.00 30.13 O ATOM 383 CB GLU A 805 18.721 20.309 -15.687 1.00 23.33 C ATOM 384 CG GLU A 805 19.679 19.790 -14.612 1.00 70.32 C ATOM 385 CD GLU A 805 21.128 20.144 -14.952 1.00 1.00 C ATOM 386 OE1 GLU A 805 21.608 19.810 -16.046 1.00 11.15 O ATOM 387 OE2 GLU A 805 21.761 20.791 -14.033 1.00 0.21 O ATOM 0 H GLU A 805 18.758 18.079 -16.825 1.00 21.54 H new ATOM 0 HA GLU A 805 17.255 19.034 -14.812 1.00 72.00 H new ATOM 0 HB2 GLU A 805 19.237 20.359 -16.646 1.00 23.33 H new ATOM 0 HB3 GLU A 805 18.407 21.323 -15.441 1.00 23.33 H new ATOM 0 HG2 GLU A 805 19.413 20.218 -13.646 1.00 70.32 H new ATOM 0 HG3 GLU A 805 19.577 18.709 -14.520 1.00 70.32 H new ATOM 395 N GLY A 806 15.408 20.547 -15.412 1.00 0.45 N ATOM 396 CA GLY A 806 14.214 21.295 -15.767 1.00 11.31 C ATOM 397 C GLY A 806 13.089 20.356 -16.205 1.00 35.32 C ATOM 398 O GLY A 806 12.027 20.809 -16.629 1.00 73.33 O ATOM 0 H GLY A 806 15.499 20.335 -14.418 1.00 0.45 H new ATOM 0 HA2 GLY A 806 13.886 21.889 -14.914 1.00 11.31 H new ATOM 0 HA3 GLY A 806 14.444 21.993 -16.572 1.00 11.31 H new ATOM 402 N ASP A 807 13.360 19.064 -16.086 1.00 55.24 N ATOM 403 CA ASP A 807 12.383 18.057 -16.465 1.00 20.12 C ATOM 404 C ASP A 807 11.816 17.403 -15.203 1.00 23.00 C ATOM 405 O ASP A 807 12.444 17.438 -14.146 1.00 22.21 O ATOM 406 CB ASP A 807 13.025 16.961 -17.318 1.00 34.11 C ATOM 407 CG ASP A 807 13.605 17.436 -18.652 1.00 35.14 C ATOM 408 OD1 ASP A 807 13.632 16.687 -19.639 1.00 73.43 O ATOM 409 OD2 ASP A 807 14.048 18.647 -18.653 1.00 14.41 O ATOM 0 H ASP A 807 14.241 18.692 -15.733 1.00 55.24 H new ATOM 0 HA ASP A 807 11.598 18.548 -17.040 1.00 20.12 H new ATOM 0 HB2 ASP A 807 13.821 16.491 -16.740 1.00 34.11 H new ATOM 0 HB3 ASP A 807 12.278 16.192 -17.517 1.00 34.11 H new ATOM 415 N ILE A 808 10.635 16.822 -15.356 1.00 24.14 N ATOM 416 CA ILE A 808 9.977 16.161 -14.242 1.00 10.04 C ATOM 417 C ILE A 808 9.987 14.649 -14.473 1.00 71.33 C ATOM 418 O ILE A 808 9.915 14.191 -15.613 1.00 1.21 O ATOM 419 CB ILE A 808 8.578 16.741 -14.026 1.00 33.02 C ATOM 420 CG1 ILE A 808 7.978 17.232 -15.345 1.00 61.32 C ATOM 421 CG2 ILE A 808 8.598 17.840 -12.961 1.00 72.14 C ATOM 422 CD1 ILE A 808 8.588 18.572 -15.760 1.00 0.24 C ATOM 0 H ILE A 808 10.117 16.795 -16.234 1.00 24.14 H new ATOM 0 HA ILE A 808 10.520 16.345 -13.315 1.00 10.04 H new ATOM 0 HB ILE A 808 7.932 15.945 -13.655 1.00 33.02 H new ATOM 0 HG12 ILE A 808 8.152 16.492 -16.126 1.00 61.32 H new ATOM 0 HG13 ILE A 808 6.898 17.337 -15.241 1.00 61.32 H new ATOM 0 HG21 ILE A 808 7.591 18.235 -12.827 1.00 72.14 H new ATOM 0 HG22 ILE A 808 8.954 17.426 -12.018 1.00 72.14 H new ATOM 0 HG23 ILE A 808 9.263 18.643 -13.279 1.00 72.14 H new ATOM 0 HD11 ILE A 808 8.144 18.898 -16.701 1.00 0.24 H new ATOM 0 HD12 ILE A 808 8.391 19.316 -14.988 1.00 0.24 H new ATOM 0 HD13 ILE A 808 9.665 18.458 -15.887 1.00 0.24 H new ATOM 434 N ILE A 809 10.076 13.914 -13.374 1.00 44.42 N ATOM 435 CA ILE A 809 10.097 12.463 -13.443 1.00 54.12 C ATOM 436 C ILE A 809 8.888 11.904 -12.690 1.00 53.12 C ATOM 437 O ILE A 809 8.773 12.077 -11.478 1.00 31.12 O ATOM 438 CB ILE A 809 11.437 11.922 -12.943 1.00 22.53 C ATOM 439 CG1 ILE A 809 12.503 11.997 -14.038 1.00 55.04 C ATOM 440 CG2 ILE A 809 11.283 10.503 -12.389 1.00 44.45 C ATOM 441 CD1 ILE A 809 13.145 13.385 -14.084 1.00 22.25 C ATOM 0 H ILE A 809 10.134 14.297 -12.430 1.00 44.42 H new ATOM 0 HA ILE A 809 10.011 12.129 -14.477 1.00 54.12 H new ATOM 0 HB ILE A 809 11.775 12.554 -12.122 1.00 22.53 H new ATOM 0 HG12 ILE A 809 13.270 11.244 -13.856 1.00 55.04 H new ATOM 0 HG13 ILE A 809 12.054 11.768 -15.004 1.00 55.04 H new ATOM 0 HG21 ILE A 809 12.250 10.142 -12.040 1.00 44.45 H new ATOM 0 HG22 ILE A 809 10.578 10.511 -11.558 1.00 44.45 H new ATOM 0 HG23 ILE A 809 10.911 9.844 -13.174 1.00 44.45 H new ATOM 0 HD11 ILE A 809 13.899 13.411 -14.871 1.00 22.25 H new ATOM 0 HD12 ILE A 809 12.380 14.133 -14.290 1.00 22.25 H new ATOM 0 HD13 ILE A 809 13.614 13.601 -13.124 1.00 22.25 H new ATOM 453 N LYS A 810 8.017 11.245 -13.440 1.00 54.42 N ATOM 454 CA LYS A 810 6.821 10.660 -12.859 1.00 35.13 C ATOM 455 C LYS A 810 7.210 9.441 -12.020 1.00 5.31 C ATOM 456 O LYS A 810 7.652 8.428 -12.559 1.00 73.50 O ATOM 457 CB LYS A 810 5.790 10.353 -13.948 1.00 25.14 C ATOM 458 CG LYS A 810 4.677 9.451 -13.411 1.00 0.35 C ATOM 459 CD LYS A 810 4.139 9.979 -12.079 1.00 20.42 C ATOM 460 CE LYS A 810 2.649 9.667 -11.928 1.00 13.03 C ATOM 461 NZ LYS A 810 1.832 10.708 -12.591 1.00 72.31 N ATOM 0 H LYS A 810 8.116 11.103 -14.445 1.00 54.42 H new ATOM 0 HA LYS A 810 6.339 11.370 -12.187 1.00 35.13 H new ATOM 0 HB2 LYS A 810 5.361 11.283 -14.320 1.00 25.14 H new ATOM 0 HB3 LYS A 810 6.281 9.868 -14.792 1.00 25.14 H new ATOM 0 HG2 LYS A 810 3.867 9.395 -14.138 1.00 0.35 H new ATOM 0 HG3 LYS A 810 5.057 8.438 -13.278 1.00 0.35 H new ATOM 0 HD2 LYS A 810 4.694 9.530 -11.255 1.00 20.42 H new ATOM 0 HD3 LYS A 810 4.297 11.056 -12.020 1.00 20.42 H new ATOM 0 HE2 LYS A 810 2.430 8.692 -12.363 1.00 13.03 H new ATOM 0 HE3 LYS A 810 2.389 9.610 -10.871 1.00 13.03 H new ATOM 0 HZ1 LYS A 810 0.823 10.481 -12.479 1.00 72.31 H new ATOM 0 HZ2 LYS A 810 2.029 11.632 -12.157 1.00 72.31 H new ATOM 0 HZ3 LYS A 810 2.069 10.743 -13.603 1.00 72.31 H new ATOM 474 N ILE A 811 7.034 9.580 -10.714 1.00 53.42 N ATOM 475 CA ILE A 811 7.362 8.503 -9.796 1.00 14.44 C ATOM 476 C ILE A 811 6.353 7.366 -9.969 1.00 61.03 C ATOM 477 O ILE A 811 5.152 7.565 -9.797 1.00 13.04 O ATOM 478 CB ILE A 811 7.453 9.031 -8.362 1.00 72.13 C ATOM 479 CG1 ILE A 811 8.363 10.259 -8.287 1.00 32.43 C ATOM 480 CG2 ILE A 811 7.897 7.928 -7.399 1.00 70.14 C ATOM 481 CD1 ILE A 811 9.828 9.868 -8.487 1.00 64.21 C ATOM 0 H ILE A 811 6.668 10.422 -10.270 1.00 53.42 H new ATOM 0 HA ILE A 811 8.346 8.094 -10.024 1.00 14.44 H new ATOM 0 HB ILE A 811 6.458 9.348 -8.051 1.00 72.13 H new ATOM 0 HG12 ILE A 811 8.068 10.981 -9.048 1.00 32.43 H new ATOM 0 HG13 ILE A 811 8.242 10.747 -7.320 1.00 32.43 H new ATOM 0 HG21 ILE A 811 7.954 8.329 -6.387 1.00 70.14 H new ATOM 0 HG22 ILE A 811 7.177 7.110 -7.425 1.00 70.14 H new ATOM 0 HG23 ILE A 811 8.878 7.557 -7.698 1.00 70.14 H new ATOM 0 HD11 ILE A 811 10.453 10.759 -8.429 1.00 64.21 H new ATOM 0 HD12 ILE A 811 10.126 9.164 -7.710 1.00 64.21 H new ATOM 0 HD13 ILE A 811 9.950 9.402 -9.465 1.00 64.21 H new ATOM 493 N LEU A 812 6.879 6.198 -10.309 1.00 2.41 N ATOM 494 CA LEU A 812 6.040 5.029 -10.508 1.00 30.01 C ATOM 495 C LEU A 812 6.340 4.000 -9.416 1.00 60.44 C ATOM 496 O LEU A 812 5.424 3.463 -8.795 1.00 72.05 O ATOM 497 CB LEU A 812 6.206 4.485 -11.928 1.00 44.54 C ATOM 498 CG LEU A 812 6.261 5.531 -13.044 1.00 72.24 C ATOM 499 CD1 LEU A 812 7.108 5.036 -14.218 1.00 4.10 C ATOM 500 CD2 LEU A 812 4.853 5.936 -13.485 1.00 11.21 C ATOM 0 H LEU A 812 7.876 6.037 -10.452 1.00 2.41 H new ATOM 0 HA LEU A 812 4.987 5.296 -10.415 1.00 30.01 H new ATOM 0 HB2 LEU A 812 7.121 3.894 -11.965 1.00 44.54 H new ATOM 0 HB3 LEU A 812 5.379 3.805 -12.134 1.00 44.54 H new ATOM 0 HG LEU A 812 6.746 6.425 -12.651 1.00 72.24 H new ATOM 0 HD11 LEU A 812 7.131 5.798 -14.997 1.00 4.10 H new ATOM 0 HD12 LEU A 812 8.123 4.837 -13.876 1.00 4.10 H new ATOM 0 HD13 LEU A 812 6.674 4.120 -14.619 1.00 4.10 H new ATOM 0 HD21 LEU A 812 4.920 6.680 -14.279 1.00 11.21 H new ATOM 0 HD22 LEU A 812 4.321 5.059 -13.854 1.00 11.21 H new ATOM 0 HD23 LEU A 812 4.313 6.358 -12.637 1.00 11.21 H new ATOM 512 N ASN A 813 7.627 3.755 -9.216 1.00 74.10 N ATOM 513 CA ASN A 813 8.059 2.799 -8.210 1.00 51.34 C ATOM 514 C ASN A 813 9.025 3.486 -7.243 1.00 21.22 C ATOM 515 O ASN A 813 9.724 4.425 -7.620 1.00 64.30 O ATOM 516 CB ASN A 813 8.791 1.619 -8.851 1.00 70.42 C ATOM 517 CG ASN A 813 8.556 0.332 -8.058 1.00 32.32 C ATOM 518 OD1 ASN A 813 7.706 -0.482 -8.382 1.00 44.23 O ATOM 519 ND2 ASN A 813 9.353 0.193 -7.003 1.00 3.44 N ATOM 0 H ASN A 813 8.384 4.202 -9.733 1.00 74.10 H new ATOM 0 HA ASN A 813 7.174 2.434 -7.688 1.00 51.34 H new ATOM 0 HB2 ASN A 813 8.447 1.486 -9.877 1.00 70.42 H new ATOM 0 HB3 ASN A 813 9.859 1.831 -8.898 1.00 70.42 H new ATOM 0 HD21 ASN A 813 9.274 -0.633 -6.409 1.00 3.44 H new ATOM 0 HD22 ASN A 813 10.044 0.912 -6.787 1.00 3.44 H new ATOM 526 N LYS A 814 9.033 2.991 -6.014 1.00 30.51 N ATOM 527 CA LYS A 814 9.902 3.544 -4.989 1.00 52.54 C ATOM 528 C LYS A 814 10.674 2.410 -4.313 1.00 73.42 C ATOM 529 O LYS A 814 10.286 1.942 -3.244 1.00 24.24 O ATOM 530 CB LYS A 814 9.098 4.408 -4.015 1.00 21.43 C ATOM 531 CG LYS A 814 9.067 5.867 -4.472 1.00 41.33 C ATOM 532 CD LYS A 814 9.136 6.819 -3.276 1.00 31.41 C ATOM 533 CE LYS A 814 8.398 8.126 -3.571 1.00 75.54 C ATOM 534 NZ LYS A 814 9.288 9.077 -4.272 1.00 44.05 N ATOM 0 H LYS A 814 8.451 2.212 -5.705 1.00 30.51 H new ATOM 0 HA LYS A 814 10.641 4.210 -5.435 1.00 52.54 H new ATOM 0 HB2 LYS A 814 8.080 4.025 -3.939 1.00 21.43 H new ATOM 0 HB3 LYS A 814 9.537 4.344 -3.019 1.00 21.43 H new ATOM 0 HG2 LYS A 814 9.904 6.059 -5.143 1.00 41.33 H new ATOM 0 HG3 LYS A 814 8.155 6.055 -5.038 1.00 41.33 H new ATOM 0 HD2 LYS A 814 8.698 6.340 -2.400 1.00 31.41 H new ATOM 0 HD3 LYS A 814 10.178 7.032 -3.036 1.00 31.41 H new ATOM 0 HE2 LYS A 814 7.519 7.924 -4.182 1.00 75.54 H new ATOM 0 HE3 LYS A 814 8.044 8.569 -2.640 1.00 75.54 H new ATOM 0 HZ1 LYS A 814 8.748 9.925 -4.540 1.00 44.05 H new ATOM 0 HZ2 LYS A 814 10.070 9.349 -3.643 1.00 44.05 H new ATOM 0 HZ3 LYS A 814 9.672 8.627 -5.127 1.00 44.05 H new ATOM 609 N GLY A 819 18.841 4.335 -2.933 1.00 1.41 N ATOM 610 CA GLY A 819 19.176 3.703 -4.198 1.00 35.15 C ATOM 611 C GLY A 819 18.699 4.552 -5.378 1.00 61.31 C ATOM 612 O GLY A 819 19.278 5.597 -5.669 1.00 63.15 O ATOM 0 HA2 GLY A 819 20.254 3.558 -4.262 1.00 35.15 H new ATOM 0 HA3 GLY A 819 18.718 2.715 -4.248 1.00 35.15 H new ATOM 616 N TRP A 820 17.648 4.070 -6.026 1.00 2.43 N ATOM 617 CA TRP A 820 17.087 4.772 -7.168 1.00 23.21 C ATOM 618 C TRP A 820 15.565 4.628 -7.110 1.00 62.24 C ATOM 619 O TRP A 820 15.039 3.888 -6.280 1.00 40.04 O ATOM 620 CB TRP A 820 17.688 4.256 -8.477 1.00 75.51 C ATOM 621 CG TRP A 820 17.431 2.770 -8.736 1.00 22.51 C ATOM 622 CD1 TRP A 820 16.702 1.918 -8.002 1.00 21.02 C ATOM 623 CD2 TRP A 820 17.936 1.990 -9.840 1.00 73.45 C ATOM 624 NE1 TRP A 820 16.700 0.651 -8.550 1.00 12.41 N ATOM 625 CE2 TRP A 820 17.474 0.697 -9.704 1.00 33.53 C ATOM 626 CE3 TRP A 820 18.755 2.365 -10.920 1.00 23.54 C ATOM 627 CZ2 TRP A 820 17.778 -0.326 -10.610 1.00 72.12 C ATOM 628 CZ3 TRP A 820 19.050 1.331 -11.817 1.00 21.12 C ATOM 629 CH2 TRP A 820 18.593 0.024 -11.693 1.00 50.11 C ATOM 0 H TRP A 820 17.171 3.202 -5.782 1.00 2.43 H new ATOM 0 HA TRP A 820 17.337 5.832 -7.131 1.00 23.21 H new ATOM 0 HB2 TRP A 820 17.280 4.835 -9.305 1.00 75.51 H new ATOM 0 HB3 TRP A 820 18.764 4.432 -8.465 1.00 75.51 H new ATOM 0 HD1 TRP A 820 16.181 2.189 -7.095 1.00 21.02 H new ATOM 0 HE1 TRP A 820 16.219 -0.168 -8.177 1.00 12.41 H new ATOM 0 HE3 TRP A 820 19.127 3.371 -11.047 1.00 23.54 H new ATOM 0 HZ2 TRP A 820 17.404 -1.331 -10.480 1.00 72.12 H new ATOM 0 HZ3 TRP A 820 19.677 1.565 -12.665 1.00 21.12 H new ATOM 0 HH2 TRP A 820 18.866 -0.718 -12.429 1.00 50.11 H new ATOM 640 N TRP A 821 14.901 5.347 -8.003 1.00 74.31 N ATOM 641 CA TRP A 821 13.449 5.308 -8.064 1.00 44.34 C ATOM 642 C TRP A 821 13.043 5.090 -9.523 1.00 64.42 C ATOM 643 O TRP A 821 13.699 5.591 -10.436 1.00 31.55 O ATOM 644 CB TRP A 821 12.841 6.575 -7.458 1.00 64.50 C ATOM 645 CG TRP A 821 12.714 6.535 -5.934 1.00 14.21 C ATOM 646 CD1 TRP A 821 12.610 5.459 -5.142 1.00 53.11 C ATOM 647 CD2 TRP A 821 12.680 7.671 -5.044 1.00 45.23 C ATOM 648 NE1 TRP A 821 12.512 5.817 -3.813 1.00 22.23 N ATOM 649 CE2 TRP A 821 12.557 7.205 -3.751 1.00 72.34 C ATOM 650 CE3 TRP A 821 12.753 9.047 -5.323 1.00 12.42 C ATOM 651 CZ2 TRP A 821 12.494 8.047 -2.635 1.00 43.31 C ATOM 652 CZ3 TRP A 821 12.689 9.876 -4.196 1.00 51.33 C ATOM 653 CH2 TRP A 821 12.564 9.422 -2.888 1.00 43.45 C ATOM 0 H TRP A 821 15.341 5.960 -8.690 1.00 74.31 H new ATOM 0 HA TRP A 821 13.060 4.483 -7.467 1.00 44.34 H new ATOM 0 HB2 TRP A 821 13.455 7.431 -7.739 1.00 64.50 H new ATOM 0 HB3 TRP A 821 11.854 6.735 -7.891 1.00 64.50 H new ATOM 0 HD1 TRP A 821 12.604 4.440 -5.499 1.00 53.11 H new ATOM 0 HE1 TRP A 821 12.423 5.180 -3.021 1.00 22.23 H new ATOM 0 HE3 TRP A 821 12.851 9.434 -6.327 1.00 12.42 H new ATOM 0 HZ2 TRP A 821 12.397 7.657 -1.633 1.00 43.31 H new ATOM 0 HZ3 TRP A 821 12.740 10.943 -4.354 1.00 51.33 H new ATOM 0 HH2 TRP A 821 12.521 10.127 -2.071 1.00 43.45 H new ATOM 664 N ARG A 822 11.964 4.341 -9.698 1.00 23.11 N ATOM 665 CA ARG A 822 11.463 4.050 -11.030 1.00 61.23 C ATOM 666 C ARG A 822 10.452 5.114 -11.462 1.00 2.35 C ATOM 667 O ARG A 822 9.551 5.463 -10.701 1.00 54.32 O ATOM 668 CB ARG A 822 10.796 2.674 -11.079 1.00 63.44 C ATOM 669 CG ARG A 822 10.944 2.042 -12.465 1.00 62.20 C ATOM 670 CD ARG A 822 9.810 2.483 -13.393 1.00 3.03 C ATOM 671 NE ARG A 822 8.574 1.735 -13.072 1.00 41.11 N ATOM 672 CZ ARG A 822 8.257 0.534 -13.602 1.00 2.35 C ATOM 673 NH1 ARG A 822 9.085 -0.066 -14.483 1.00 52.44 N ATOM 674 NH2 ARG A 822 7.126 -0.044 -13.244 1.00 71.31 N ATOM 0 H ARG A 822 11.423 3.927 -8.939 1.00 23.11 H new ATOM 0 HA ARG A 822 12.314 4.054 -11.712 1.00 61.23 H new ATOM 0 HB2 ARG A 822 11.243 2.022 -10.329 1.00 63.44 H new ATOM 0 HB3 ARG A 822 9.739 2.769 -10.830 1.00 63.44 H new ATOM 0 HG2 ARG A 822 11.904 2.326 -12.897 1.00 62.20 H new ATOM 0 HG3 ARG A 822 10.944 0.956 -12.375 1.00 62.20 H new ATOM 0 HD2 ARG A 822 9.636 3.553 -13.285 1.00 3.03 H new ATOM 0 HD3 ARG A 822 10.091 2.309 -14.432 1.00 3.03 H new ATOM 0 HE ARG A 822 7.921 2.153 -12.409 1.00 41.11 H new ATOM 0 HH11 ARG A 822 9.958 0.388 -14.753 1.00 52.44 H new ATOM 0 HH12 ARG A 822 8.838 -0.973 -14.879 1.00 52.44 H new ATOM 0 HH21 ARG A 822 6.507 0.416 -12.577 1.00 71.31 H new ATOM 0 HH22 ARG A 822 6.871 -0.951 -13.635 1.00 71.31 H new ATOM 687 N GLY A 823 10.637 5.600 -12.680 1.00 54.52 N ATOM 688 CA GLY A 823 9.752 6.618 -13.222 1.00 11.14 C ATOM 689 C GLY A 823 9.692 6.537 -14.748 1.00 63.03 C ATOM 690 O GLY A 823 9.945 5.482 -15.328 1.00 31.33 O ATOM 0 H GLY A 823 11.386 5.308 -13.307 1.00 54.52 H new ATOM 0 HA2 GLY A 823 8.751 6.493 -12.808 1.00 11.14 H new ATOM 0 HA3 GLY A 823 10.100 7.606 -12.920 1.00 11.14 H new ATOM 694 N GLU A 824 9.357 7.665 -15.356 1.00 52.34 N ATOM 695 CA GLU A 824 9.261 7.735 -16.805 1.00 12.14 C ATOM 696 C GLU A 824 9.169 9.193 -17.261 1.00 20.42 C ATOM 697 O GLU A 824 8.762 10.063 -16.493 1.00 30.34 O ATOM 698 CB GLU A 824 8.067 6.925 -17.315 1.00 25.23 C ATOM 699 CG GLU A 824 7.643 7.392 -18.709 1.00 24.53 C ATOM 700 CD GLU A 824 6.447 6.584 -19.217 1.00 11.53 C ATOM 701 OE1 GLU A 824 5.301 6.869 -18.837 1.00 22.42 O ATOM 702 OE2 GLU A 824 6.740 5.632 -20.036 1.00 51.32 O ATOM 0 H GLU A 824 9.148 8.538 -14.872 1.00 52.34 H new ATOM 0 HA GLU A 824 10.164 7.297 -17.231 1.00 12.14 H new ATOM 0 HB2 GLU A 824 8.327 5.867 -17.346 1.00 25.23 H new ATOM 0 HB3 GLU A 824 7.231 7.028 -16.623 1.00 25.23 H new ATOM 0 HG2 GLU A 824 7.385 8.451 -18.679 1.00 24.53 H new ATOM 0 HG3 GLU A 824 8.478 7.287 -19.401 1.00 24.53 H new ATOM 710 N ILE A 825 9.554 9.414 -18.509 1.00 22.00 N ATOM 711 CA ILE A 825 9.520 10.751 -19.077 1.00 5.13 C ATOM 712 C ILE A 825 9.210 10.658 -20.572 1.00 65.00 C ATOM 713 O ILE A 825 9.915 9.975 -21.314 1.00 52.43 O ATOM 714 CB ILE A 825 10.818 11.499 -18.763 1.00 12.20 C ATOM 715 CG1 ILE A 825 10.782 12.092 -17.353 1.00 15.21 C ATOM 716 CG2 ILE A 825 11.108 12.562 -19.825 1.00 1.15 C ATOM 717 CD1 ILE A 825 11.822 13.203 -17.198 1.00 40.25 C ATOM 0 H ILE A 825 9.891 8.690 -19.143 1.00 22.00 H new ATOM 0 HA ILE A 825 8.722 11.338 -18.622 1.00 5.13 H new ATOM 0 HB ILE A 825 11.640 10.784 -18.790 1.00 12.20 H new ATOM 0 HG12 ILE A 825 9.788 12.488 -17.147 1.00 15.21 H new ATOM 0 HG13 ILE A 825 10.971 11.308 -16.620 1.00 15.21 H new ATOM 0 HG21 ILE A 825 12.035 13.079 -19.579 1.00 1.15 H new ATOM 0 HG22 ILE A 825 11.207 12.085 -20.800 1.00 1.15 H new ATOM 0 HG23 ILE A 825 10.289 13.280 -19.854 1.00 1.15 H new ATOM 0 HD11 ILE A 825 11.775 13.607 -16.187 1.00 40.25 H new ATOM 0 HD12 ILE A 825 12.817 12.798 -17.381 1.00 40.25 H new ATOM 0 HD13 ILE A 825 11.616 13.997 -17.916 1.00 40.25 H new ATOM 729 N TYR A 826 8.156 11.354 -20.970 1.00 13.34 N ATOM 730 CA TYR A 826 7.744 11.359 -22.363 1.00 72.30 C ATOM 731 C TYR A 826 7.363 9.951 -22.827 1.00 2.22 C ATOM 732 O TYR A 826 7.329 9.677 -24.025 1.00 75.14 O ATOM 733 CB TYR A 826 8.960 11.834 -23.161 1.00 14.34 C ATOM 734 CG TYR A 826 9.657 13.057 -22.562 1.00 3.04 C ATOM 735 CD1 TYR A 826 8.953 13.926 -21.752 1.00 64.50 C ATOM 736 CD2 TYR A 826 10.990 13.292 -22.831 1.00 24.23 C ATOM 737 CE1 TYR A 826 9.610 15.076 -21.188 1.00 40.42 C ATOM 738 CE2 TYR A 826 11.647 14.443 -22.267 1.00 30.42 C ATOM 739 CZ TYR A 826 10.924 15.278 -21.473 1.00 44.14 C ATOM 740 OH TYR A 826 11.545 16.365 -20.941 1.00 15.11 O ATOM 0 H TYR A 826 7.574 11.919 -20.351 1.00 13.34 H new ATOM 0 HA TYR A 826 6.875 12.001 -22.504 1.00 72.30 H new ATOM 0 HB2 TYR A 826 9.678 11.017 -23.231 1.00 14.34 H new ATOM 0 HB3 TYR A 826 8.645 12.069 -24.178 1.00 14.34 H new ATOM 0 HD1 TYR A 826 7.910 13.743 -21.542 1.00 64.50 H new ATOM 0 HD2 TYR A 826 11.541 12.613 -23.465 1.00 24.23 H new ATOM 0 HE1 TYR A 826 9.071 15.763 -20.553 1.00 40.42 H new ATOM 0 HE2 TYR A 826 12.690 14.639 -22.470 1.00 30.42 H new ATOM 0 HH TYR A 826 12.274 16.071 -20.356 1.00 15.11 H new ATOM 750 N GLY A 827 7.087 9.096 -21.853 1.00 44.20 N ATOM 751 CA GLY A 827 6.711 7.724 -22.146 1.00 73.24 C ATOM 752 C GLY A 827 7.918 6.790 -22.044 1.00 64.11 C ATOM 753 O GLY A 827 7.786 5.578 -22.205 1.00 34.31 O ATOM 0 H GLY A 827 7.116 9.327 -20.860 1.00 44.20 H new ATOM 0 HA2 GLY A 827 5.936 7.400 -21.451 1.00 73.24 H new ATOM 0 HA3 GLY A 827 6.286 7.666 -23.148 1.00 73.24 H new ATOM 757 N ARG A 828 9.069 7.390 -21.777 1.00 61.13 N ATOM 758 CA ARG A 828 10.299 6.627 -21.652 1.00 4.03 C ATOM 759 C ARG A 828 10.485 6.153 -20.209 1.00 31.31 C ATOM 760 O ARG A 828 10.650 6.966 -19.301 1.00 21.32 O ATOM 761 CB ARG A 828 11.511 7.464 -22.066 1.00 3.12 C ATOM 762 CG ARG A 828 11.519 7.708 -23.576 1.00 53.22 C ATOM 763 CD ARG A 828 10.874 9.053 -23.917 1.00 51.15 C ATOM 764 NE ARG A 828 11.098 9.374 -25.345 1.00 3.44 N ATOM 765 CZ ARG A 828 10.509 8.722 -26.369 1.00 64.41 C ATOM 766 NH1 ARG A 828 9.654 7.704 -26.132 1.00 51.50 N ATOM 767 NH2 ARG A 828 10.783 9.093 -27.606 1.00 74.40 N ATOM 0 H ARG A 828 9.175 8.396 -21.644 1.00 61.13 H new ATOM 0 HA ARG A 828 10.223 5.765 -22.315 1.00 4.03 H new ATOM 0 HB2 ARG A 828 11.495 8.419 -21.540 1.00 3.12 H new ATOM 0 HB3 ARG A 828 12.428 6.953 -21.772 1.00 3.12 H new ATOM 0 HG2 ARG A 828 12.544 7.688 -23.946 1.00 53.22 H new ATOM 0 HG3 ARG A 828 10.982 6.905 -24.081 1.00 53.22 H new ATOM 0 HD2 ARG A 828 9.805 9.017 -23.707 1.00 51.15 H new ATOM 0 HD3 ARG A 828 11.296 9.838 -23.289 1.00 51.15 H new ATOM 0 HE ARG A 828 11.738 10.136 -25.569 1.00 3.44 H new ATOM 0 HH11 ARG A 828 9.449 7.423 -25.173 1.00 51.50 H new ATOM 0 HH12 ARG A 828 9.213 7.216 -26.912 1.00 51.50 H new ATOM 0 HH21 ARG A 828 11.431 9.862 -27.776 1.00 74.40 H new ATOM 0 HH22 ARG A 828 10.346 8.611 -28.392 1.00 74.40 H new ATOM 780 N ILE A 829 10.451 4.839 -20.043 1.00 24.42 N ATOM 781 CA ILE A 829 10.614 4.246 -18.726 1.00 13.41 C ATOM 782 C ILE A 829 12.103 4.036 -18.446 1.00 2.50 C ATOM 783 O ILE A 829 12.901 3.912 -19.374 1.00 3.14 O ATOM 784 CB ILE A 829 9.780 2.969 -18.606 1.00 55.42 C ATOM 785 CG1 ILE A 829 8.304 3.249 -18.901 1.00 23.52 C ATOM 786 CG2 ILE A 829 9.977 2.312 -17.239 1.00 15.04 C ATOM 787 CD1 ILE A 829 7.550 3.616 -17.622 1.00 13.04 C ATOM 0 H ILE A 829 10.313 4.168 -20.799 1.00 24.42 H new ATOM 0 HA ILE A 829 10.236 4.919 -17.956 1.00 13.41 H new ATOM 0 HB ILE A 829 10.130 2.260 -19.357 1.00 55.42 H new ATOM 0 HG12 ILE A 829 8.221 4.062 -19.622 1.00 23.52 H new ATOM 0 HG13 ILE A 829 7.848 2.371 -19.357 1.00 23.52 H new ATOM 0 HG21 ILE A 829 9.373 1.407 -17.180 1.00 15.04 H new ATOM 0 HG22 ILE A 829 11.028 2.056 -17.106 1.00 15.04 H new ATOM 0 HG23 ILE A 829 9.670 3.004 -16.455 1.00 15.04 H new ATOM 0 HD11 ILE A 829 6.504 3.810 -17.859 1.00 13.04 H new ATOM 0 HD12 ILE A 829 7.614 2.791 -16.912 1.00 13.04 H new ATOM 0 HD13 ILE A 829 7.994 4.509 -17.182 1.00 13.04 H new ATOM 799 N GLY A 830 12.433 4.004 -17.163 1.00 74.41 N ATOM 800 CA GLY A 830 13.812 3.811 -16.749 1.00 61.14 C ATOM 801 C GLY A 830 13.959 3.980 -15.236 1.00 4.31 C ATOM 802 O GLY A 830 12.971 3.945 -14.505 1.00 21.24 O ATOM 0 H GLY A 830 11.768 4.109 -16.396 1.00 74.41 H new ATOM 0 HA2 GLY A 830 14.147 2.816 -17.042 1.00 61.14 H new ATOM 0 HA3 GLY A 830 14.453 4.527 -17.263 1.00 61.14 H new ATOM 806 N TRP A 831 15.201 4.161 -14.811 1.00 23.11 N ATOM 807 CA TRP A 831 15.491 4.336 -13.398 1.00 33.12 C ATOM 808 C TRP A 831 16.352 5.591 -13.243 1.00 52.25 C ATOM 809 O TRP A 831 16.817 6.155 -14.233 1.00 32.20 O ATOM 810 CB TRP A 831 16.149 3.084 -12.814 1.00 14.22 C ATOM 811 CG TRP A 831 15.267 1.835 -12.867 1.00 53.13 C ATOM 812 CD1 TRP A 831 14.882 1.143 -13.948 1.00 75.21 C ATOM 813 CD2 TRP A 831 14.672 1.154 -11.743 1.00 30.43 C ATOM 814 NE1 TRP A 831 14.085 0.069 -13.604 1.00 3.41 N ATOM 815 CE2 TRP A 831 13.954 0.076 -12.220 1.00 50.21 C ATOM 816 CE3 TRP A 831 14.739 1.438 -10.367 1.00 52.14 C ATOM 817 CZ2 TRP A 831 13.248 -0.803 -11.390 1.00 50.12 C ATOM 818 CZ3 TRP A 831 14.028 0.550 -9.551 1.00 53.13 C ATOM 819 CH2 TRP A 831 13.300 -0.539 -10.016 1.00 40.03 C ATOM 0 H TRP A 831 16.018 4.190 -15.421 1.00 23.11 H new ATOM 0 HA TRP A 831 14.571 4.473 -12.830 1.00 33.12 H new ATOM 0 HB2 TRP A 831 17.074 2.886 -13.355 1.00 14.22 H new ATOM 0 HB3 TRP A 831 16.422 3.280 -11.777 1.00 14.22 H new ATOM 0 HD1 TRP A 831 15.160 1.394 -14.961 1.00 75.21 H new ATOM 0 HE1 TRP A 831 13.669 -0.605 -14.247 1.00 3.41 H new ATOM 0 HE3 TRP A 831 15.295 2.275 -9.971 1.00 52.14 H new ATOM 0 HZ2 TRP A 831 12.693 -1.640 -11.788 1.00 50.12 H new ATOM 0 HZ3 TRP A 831 14.046 0.723 -8.485 1.00 53.13 H new ATOM 0 HH2 TRP A 831 12.777 -1.179 -9.321 1.00 40.03 H new ATOM 830 N PHE A 832 16.538 5.992 -11.995 1.00 2.34 N ATOM 831 CA PHE A 832 17.335 7.170 -11.698 1.00 1.51 C ATOM 832 C PHE A 832 17.499 7.355 -10.188 1.00 45.40 C ATOM 833 O PHE A 832 16.645 6.933 -9.411 1.00 12.44 O ATOM 834 CB PHE A 832 16.583 8.374 -12.268 1.00 51.53 C ATOM 835 CG PHE A 832 15.233 8.640 -11.598 1.00 24.41 C ATOM 836 CD1 PHE A 832 14.156 7.870 -11.910 1.00 3.03 C ATOM 837 CD2 PHE A 832 15.111 9.645 -10.690 1.00 71.10 C ATOM 838 CE1 PHE A 832 12.904 8.116 -11.287 1.00 52.04 C ATOM 839 CE2 PHE A 832 13.858 9.891 -10.068 1.00 25.12 C ATOM 840 CZ PHE A 832 12.781 9.121 -10.380 1.00 4.34 C ATOM 0 H PHE A 832 16.150 5.522 -11.177 1.00 2.34 H new ATOM 0 HA PHE A 832 18.328 7.066 -12.134 1.00 1.51 H new ATOM 0 HB2 PHE A 832 17.208 9.261 -12.166 1.00 51.53 H new ATOM 0 HB3 PHE A 832 16.423 8.217 -13.335 1.00 51.53 H new ATOM 0 HD1 PHE A 832 14.253 7.072 -12.631 1.00 3.03 H new ATOM 0 HD2 PHE A 832 15.966 10.256 -10.442 1.00 71.10 H new ATOM 0 HE1 PHE A 832 12.049 7.504 -11.534 1.00 52.04 H new ATOM 0 HE2 PHE A 832 13.760 10.689 -9.347 1.00 25.12 H new ATOM 0 HZ PHE A 832 11.828 9.308 -9.907 1.00 4.34 H new ATOM 850 N PRO A 833 18.633 8.003 -9.808 1.00 43.44 N ATOM 851 CA PRO A 833 18.921 8.249 -8.406 1.00 13.45 C ATOM 852 C PRO A 833 18.049 9.381 -7.857 1.00 40.14 C ATOM 853 O PRO A 833 17.717 10.319 -8.580 1.00 51.41 O ATOM 854 CB PRO A 833 20.406 8.568 -8.358 1.00 62.42 C ATOM 855 CG PRO A 833 20.797 8.944 -9.778 1.00 3.00 C ATOM 856 CD PRO A 833 19.668 8.517 -10.701 1.00 51.23 C ATOM 0 HA PRO A 833 18.691 7.391 -7.774 1.00 13.45 H new ATOM 0 HB2 PRO A 833 20.608 9.387 -7.667 1.00 62.42 H new ATOM 0 HB3 PRO A 833 20.979 7.709 -8.009 1.00 62.42 H new ATOM 0 HG2 PRO A 833 20.968 10.018 -9.855 1.00 3.00 H new ATOM 0 HG3 PRO A 833 21.728 8.452 -10.061 1.00 3.00 H new ATOM 0 HD2 PRO A 833 19.300 9.356 -11.291 1.00 51.23 H new ATOM 0 HD3 PRO A 833 19.999 7.753 -11.404 1.00 51.23 H new ATOM 864 N SER A 834 17.703 9.255 -6.585 1.00 4.45 N ATOM 865 CA SER A 834 16.877 10.256 -5.931 1.00 71.01 C ATOM 866 C SER A 834 17.752 11.398 -5.411 1.00 15.44 C ATOM 867 O SER A 834 17.256 12.317 -4.760 1.00 42.53 O ATOM 868 CB SER A 834 16.070 9.641 -4.786 1.00 12.21 C ATOM 869 OG SER A 834 16.831 9.552 -3.584 1.00 53.13 O ATOM 0 H SER A 834 17.979 8.475 -5.989 1.00 4.45 H new ATOM 0 HA SER A 834 16.173 10.651 -6.664 1.00 71.01 H new ATOM 0 HB2 SER A 834 15.179 10.242 -4.607 1.00 12.21 H new ATOM 0 HB3 SER A 834 15.731 8.646 -5.075 1.00 12.21 H new ATOM 0 HG SER A 834 16.280 9.156 -2.877 1.00 53.13 H new ATOM 875 N ASN A 835 19.037 11.303 -5.716 1.00 42.23 N ATOM 876 CA ASN A 835 19.985 12.317 -5.287 1.00 45.25 C ATOM 877 C ASN A 835 20.280 13.260 -6.456 1.00 3.12 C ATOM 878 O ASN A 835 21.007 14.240 -6.299 1.00 14.41 O ATOM 879 CB ASN A 835 21.306 11.684 -4.846 1.00 5.31 C ATOM 880 CG ASN A 835 21.059 10.460 -3.962 1.00 45.01 C ATOM 881 OD1 ASN A 835 20.663 9.401 -4.420 1.00 51.14 O ATOM 882 ND2 ASN A 835 21.315 10.663 -2.673 1.00 2.12 N ATOM 0 H ASN A 835 19.444 10.539 -6.255 1.00 42.23 H new ATOM 0 HA ASN A 835 19.545 12.856 -4.448 1.00 45.25 H new ATOM 0 HB2 ASN A 835 21.885 11.393 -5.723 1.00 5.31 H new ATOM 0 HB3 ASN A 835 21.900 12.417 -4.301 1.00 5.31 H new ATOM 0 HD21 ASN A 835 21.182 9.907 -2.001 1.00 2.12 H new ATOM 0 HD22 ASN A 835 21.644 11.575 -2.356 1.00 2.12 H new ATOM 889 N TYR A 836 19.702 12.931 -7.601 1.00 74.41 N ATOM 890 CA TYR A 836 19.893 13.736 -8.795 1.00 61.23 C ATOM 891 C TYR A 836 18.602 14.460 -9.181 1.00 72.14 C ATOM 892 O TYR A 836 18.590 15.259 -10.117 1.00 34.23 O ATOM 893 CB TYR A 836 20.267 12.756 -9.909 1.00 72.22 C ATOM 894 CG TYR A 836 21.767 12.475 -10.013 1.00 61.32 C ATOM 895 CD1 TYR A 836 22.453 11.977 -8.924 1.00 61.21 C ATOM 896 CD2 TYR A 836 22.435 12.719 -11.196 1.00 53.13 C ATOM 897 CE1 TYR A 836 23.865 11.712 -9.022 1.00 42.31 C ATOM 898 CE2 TYR A 836 23.847 12.455 -11.294 1.00 72.42 C ATOM 899 CZ TYR A 836 24.492 11.964 -10.202 1.00 43.23 C ATOM 900 OH TYR A 836 25.826 11.714 -10.295 1.00 10.42 O ATOM 0 H TYR A 836 19.101 12.117 -7.728 1.00 74.41 H new ATOM 0 HA TYR A 836 20.660 14.493 -8.629 1.00 61.23 H new ATOM 0 HB2 TYR A 836 19.742 11.815 -9.742 1.00 72.22 H new ATOM 0 HB3 TYR A 836 19.915 13.153 -10.861 1.00 72.22 H new ATOM 0 HD1 TYR A 836 21.931 11.786 -7.998 1.00 61.21 H new ATOM 0 HD2 TYR A 836 21.898 13.108 -12.049 1.00 53.13 H new ATOM 0 HE1 TYR A 836 24.414 11.322 -8.177 1.00 42.31 H new ATOM 0 HE2 TYR A 836 24.382 12.643 -12.213 1.00 72.42 H new ATOM 0 HH TYR A 836 26.139 11.940 -11.196 1.00 10.42 H new ATOM 910 N VAL A 837 17.546 14.154 -8.442 1.00 11.54 N ATOM 911 CA VAL A 837 16.252 14.766 -8.695 1.00 5.22 C ATOM 912 C VAL A 837 15.702 15.344 -7.389 1.00 42.14 C ATOM 913 O VAL A 837 16.207 15.039 -6.310 1.00 34.31 O ATOM 914 CB VAL A 837 15.310 13.749 -9.342 1.00 44.35 C ATOM 915 CG1 VAL A 837 15.837 13.307 -10.709 1.00 22.30 C ATOM 916 CG2 VAL A 837 15.088 12.546 -8.424 1.00 60.33 C ATOM 0 H VAL A 837 17.560 13.490 -7.668 1.00 11.54 H new ATOM 0 HA VAL A 837 16.351 15.592 -9.400 1.00 5.22 H new ATOM 0 HB VAL A 837 14.346 14.235 -9.496 1.00 44.35 H new ATOM 0 HG11 VAL A 837 15.149 12.584 -11.148 1.00 22.30 H new ATOM 0 HG12 VAL A 837 15.919 14.174 -11.365 1.00 22.30 H new ATOM 0 HG13 VAL A 837 16.818 12.848 -10.590 1.00 22.30 H new ATOM 0 HG21 VAL A 837 14.415 11.838 -8.908 1.00 60.33 H new ATOM 0 HG22 VAL A 837 16.043 12.060 -8.224 1.00 60.33 H new ATOM 0 HG23 VAL A 837 14.648 12.881 -7.485 1.00 60.33 H new ATOM 926 N GLU A 838 14.675 16.169 -7.531 1.00 71.42 N ATOM 927 CA GLU A 838 14.051 16.792 -6.377 1.00 14.04 C ATOM 928 C GLU A 838 12.640 16.236 -6.171 1.00 50.33 C ATOM 929 O GLU A 838 11.864 16.137 -7.120 1.00 71.24 O ATOM 930 CB GLU A 838 14.024 18.315 -6.523 1.00 60.31 C ATOM 931 CG GLU A 838 15.431 18.867 -6.760 1.00 51.40 C ATOM 932 CD GLU A 838 15.374 20.302 -7.289 1.00 65.00 C ATOM 933 OE1 GLU A 838 14.640 20.580 -8.249 1.00 1.54 O ATOM 934 OE2 GLU A 838 16.128 21.143 -6.665 1.00 41.15 O ATOM 0 H GLU A 838 14.260 16.420 -8.428 1.00 71.42 H new ATOM 0 HA GLU A 838 14.646 16.555 -5.495 1.00 14.04 H new ATOM 0 HB2 GLU A 838 13.375 18.593 -7.354 1.00 60.31 H new ATOM 0 HB3 GLU A 838 13.600 18.763 -5.624 1.00 60.31 H new ATOM 0 HG2 GLU A 838 15.998 18.841 -5.829 1.00 51.40 H new ATOM 0 HG3 GLU A 838 15.959 18.233 -7.473 1.00 51.40 H new ATOM 942 N GLU A 839 12.351 15.889 -4.926 1.00 31.31 N ATOM 943 CA GLU A 839 11.047 15.346 -4.584 1.00 23.51 C ATOM 944 C GLU A 839 10.253 16.355 -3.752 1.00 24.31 C ATOM 945 O GLU A 839 10.819 17.055 -2.914 1.00 41.41 O ATOM 946 CB GLU A 839 11.185 14.013 -3.844 1.00 42.34 C ATOM 947 CG GLU A 839 10.301 12.939 -4.481 1.00 31.14 C ATOM 948 CD GLU A 839 9.024 12.727 -3.665 1.00 74.35 C ATOM 949 OE1 GLU A 839 9.050 12.841 -2.431 1.00 71.00 O ATOM 950 OE2 GLU A 839 7.976 12.434 -4.359 1.00 43.24 O ATOM 0 H GLU A 839 12.997 15.973 -4.141 1.00 31.31 H new ATOM 0 HA GLU A 839 10.501 15.157 -5.508 1.00 23.51 H new ATOM 0 HB2 GLU A 839 12.226 13.690 -3.861 1.00 42.34 H new ATOM 0 HB3 GLU A 839 10.909 14.143 -2.798 1.00 42.34 H new ATOM 0 HG2 GLU A 839 10.042 13.232 -5.499 1.00 31.14 H new ATOM 0 HG3 GLU A 839 10.853 12.002 -4.550 1.00 31.14 H new ATOM 958 N ASP A 840 8.955 16.397 -4.012 1.00 70.21 N ATOM 959 CA ASP A 840 8.078 17.309 -3.298 1.00 33.42 C ATOM 960 C ASP A 840 8.786 18.652 -3.115 1.00 11.44 C ATOM 961 O ASP A 840 8.537 19.361 -2.141 1.00 4.43 O ATOM 962 CB ASP A 840 7.730 16.765 -1.911 1.00 34.32 C ATOM 963 CG ASP A 840 6.507 17.407 -1.253 1.00 32.24 C ATOM 964 OD1 ASP A 840 6.236 18.603 -1.438 1.00 30.44 O ATOM 965 OD2 ASP A 840 5.807 16.615 -0.512 1.00 44.02 O ATOM 0 H ASP A 840 8.489 15.814 -4.707 1.00 70.21 H new ATOM 0 HA ASP A 840 7.164 17.423 -3.881 1.00 33.42 H new ATOM 0 HB2 ASP A 840 7.559 15.691 -1.991 1.00 34.32 H new ATOM 0 HB3 ASP A 840 8.591 16.903 -1.257 1.00 34.32 H new ATOM 971 N TYR A 841 9.654 18.962 -4.066 1.00 61.03 N ATOM 972 CA TYR A 841 10.400 20.208 -4.022 1.00 40.22 C ATOM 973 C TYR A 841 9.479 21.388 -3.706 1.00 34.12 C ATOM 974 O TYR A 841 9.924 22.402 -3.170 1.00 71.23 O ATOM 975 CB TYR A 841 10.988 20.397 -5.422 1.00 4.12 C ATOM 976 CG TYR A 841 10.058 19.954 -6.553 1.00 3.11 C ATOM 977 CD1 TYR A 841 8.926 20.689 -6.843 1.00 65.52 C ATOM 978 CD2 TYR A 841 10.351 18.820 -7.283 1.00 30.11 C ATOM 979 CE1 TYR A 841 8.051 20.272 -7.908 1.00 20.43 C ATOM 980 CE2 TYR A 841 9.475 18.403 -8.347 1.00 65.04 C ATOM 981 CZ TYR A 841 8.369 19.149 -8.607 1.00 53.33 C ATOM 982 OH TYR A 841 7.542 18.756 -9.613 1.00 31.53 O ATOM 0 H TYR A 841 9.858 18.371 -4.872 1.00 61.03 H new ATOM 0 HA TYR A 841 11.166 20.169 -3.248 1.00 40.22 H new ATOM 0 HB2 TYR A 841 11.237 21.449 -5.561 1.00 4.12 H new ATOM 0 HB3 TYR A 841 11.920 19.837 -5.492 1.00 4.12 H new ATOM 0 HD1 TYR A 841 8.697 21.576 -6.271 1.00 65.52 H new ATOM 0 HD2 TYR A 841 11.237 18.246 -7.056 1.00 30.11 H new ATOM 0 HE1 TYR A 841 7.163 20.838 -8.146 1.00 20.43 H new ATOM 0 HE2 TYR A 841 9.692 17.517 -8.926 1.00 65.04 H new ATOM 0 HH TYR A 841 7.893 17.939 -10.025 1.00 31.53 H new