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= 0.00243 USER MOD Set 1.2: A 841 TYR OH : rot -127:sc= -1 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= -0.348 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+ 153:sc= 0.0558 (180deg=0) USER MOD Single : A 813 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 814 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 826 TYR OH : rot 167:sc= 1.03 USER MOD Single : A 834 SER OG : rot 180:sc= 0 USER MOD Single : A 835 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 836 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N GLY A 785 4.294 11.602 -6.230 1.00 33.44 N ATOM 64 CA GLY A 785 4.065 12.858 -6.923 1.00 12.14 C ATOM 65 C GLY A 785 5.003 13.001 -8.123 1.00 74.11 C ATOM 66 O GLY A 785 4.698 12.521 -9.214 1.00 22.52 O ATOM 0 HA2 GLY A 785 3.029 12.909 -7.259 1.00 12.14 H new ATOM 0 HA3 GLY A 785 4.219 13.690 -6.236 1.00 12.14 H new ATOM 70 N THR A 786 6.124 13.664 -7.882 1.00 23.53 N ATOM 71 CA THR A 786 7.108 13.876 -8.929 1.00 65.34 C ATOM 72 C THR A 786 8.499 14.075 -8.323 1.00 33.34 C ATOM 73 O THR A 786 8.640 14.173 -7.105 1.00 2.03 O ATOM 74 CB THR A 786 6.643 15.057 -9.783 1.00 42.00 C ATOM 75 OG1 THR A 786 6.097 15.974 -8.839 1.00 4.03 O ATOM 76 CG2 THR A 786 5.458 14.699 -10.682 1.00 62.13 C ATOM 0 H THR A 786 6.373 14.062 -6.976 1.00 23.53 H new ATOM 0 HA THR A 786 7.192 13.002 -9.575 1.00 65.34 H new ATOM 0 HB THR A 786 7.472 15.409 -10.398 1.00 42.00 H new ATOM 0 HG1 THR A 786 5.773 16.771 -9.307 1.00 4.03 H new ATOM 0 HG21 THR A 786 5.168 15.572 -11.266 1.00 62.13 H new ATOM 0 HG22 THR A 786 5.743 13.890 -11.355 1.00 62.13 H new ATOM 0 HG23 THR A 786 4.618 14.379 -10.066 1.00 62.13 H new ATOM 84 N ALA A 787 9.490 14.128 -9.200 1.00 1.20 N ATOM 85 CA ALA A 787 10.864 14.314 -8.766 1.00 63.20 C ATOM 86 C ALA A 787 11.618 15.137 -9.812 1.00 63.14 C ATOM 87 O ALA A 787 11.975 14.624 -10.872 1.00 25.33 O ATOM 88 CB ALA A 787 11.511 12.949 -8.521 1.00 42.10 C ATOM 0 H ALA A 787 9.369 14.045 -10.209 1.00 1.20 H new ATOM 0 HA ALA A 787 10.898 14.865 -7.826 1.00 63.20 H new ATOM 0 HB1 ALA A 787 12.542 13.088 -8.195 1.00 42.10 H new ATOM 0 HB2 ALA A 787 10.955 12.416 -7.749 1.00 42.10 H new ATOM 0 HB3 ALA A 787 11.497 12.369 -9.444 1.00 42.10 H new ATOM 94 N LYS A 788 11.838 16.400 -9.479 1.00 0.20 N ATOM 95 CA LYS A 788 12.543 17.299 -10.377 1.00 0.44 C ATOM 96 C LYS A 788 13.988 16.822 -10.538 1.00 52.53 C ATOM 97 O LYS A 788 14.659 16.519 -9.553 1.00 41.42 O ATOM 98 CB LYS A 788 12.423 18.745 -9.890 1.00 24.02 C ATOM 99 CG LYS A 788 13.079 19.712 -10.877 1.00 42.25 C ATOM 100 CD LYS A 788 12.865 21.165 -10.447 1.00 24.45 C ATOM 101 CE LYS A 788 12.710 22.080 -11.663 1.00 1.15 C ATOM 102 NZ LYS A 788 12.637 23.496 -11.239 1.00 41.30 N ATOM 0 H LYS A 788 11.540 16.822 -8.600 1.00 0.20 H new ATOM 0 HA LYS A 788 12.089 17.282 -11.368 1.00 0.44 H new ATOM 0 HB2 LYS A 788 11.372 19.004 -9.765 1.00 24.02 H new ATOM 0 HB3 LYS A 788 12.894 18.843 -8.912 1.00 24.02 H new ATOM 0 HG2 LYS A 788 14.147 19.502 -10.942 1.00 42.25 H new ATOM 0 HG3 LYS A 788 12.663 19.559 -11.873 1.00 42.25 H new ATOM 0 HD2 LYS A 788 11.977 21.235 -9.819 1.00 24.45 H new ATOM 0 HD3 LYS A 788 13.709 21.497 -9.843 1.00 24.45 H new ATOM 0 HE2 LYS A 788 13.552 21.940 -12.341 1.00 1.15 H new ATOM 0 HE3 LYS A 788 11.809 21.812 -12.215 1.00 1.15 H new ATOM 0 HZ1 LYS A 788 12.532 24.104 -12.076 1.00 41.30 H new ATOM 0 HZ2 LYS A 788 11.819 23.628 -10.610 1.00 41.30 H new ATOM 0 HZ3 LYS A 788 13.508 23.752 -10.732 1.00 41.30 H new ATOM 115 N ALA A 789 14.424 16.771 -11.788 1.00 72.13 N ATOM 116 CA ALA A 789 15.777 16.336 -12.092 1.00 33.13 C ATOM 117 C ALA A 789 16.754 17.473 -11.786 1.00 72.03 C ATOM 118 O ALA A 789 16.577 18.593 -12.263 1.00 13.25 O ATOM 119 CB ALA A 789 15.851 15.879 -13.550 1.00 22.11 C ATOM 0 H ALA A 789 13.864 17.024 -12.602 1.00 72.13 H new ATOM 0 HA ALA A 789 16.056 15.486 -11.470 1.00 33.13 H new ATOM 0 HB1 ALA A 789 16.866 15.553 -13.778 1.00 22.11 H new ATOM 0 HB2 ALA A 789 15.160 15.051 -13.707 1.00 22.11 H new ATOM 0 HB3 ALA A 789 15.580 16.707 -14.205 1.00 22.11 H new ATOM 125 N ARG A 790 17.764 17.146 -10.994 1.00 32.42 N ATOM 126 CA ARG A 790 18.769 18.125 -10.619 1.00 43.53 C ATOM 127 C ARG A 790 20.020 17.959 -11.484 1.00 44.53 C ATOM 128 O ARG A 790 20.976 18.723 -11.353 1.00 53.12 O ATOM 129 CB ARG A 790 19.154 17.984 -9.145 1.00 63.33 C ATOM 130 CG ARG A 790 17.980 18.349 -8.235 1.00 4.15 C ATOM 131 CD ARG A 790 17.910 19.861 -8.011 1.00 53.23 C ATOM 132 NE ARG A 790 18.953 20.280 -7.049 1.00 31.04 N ATOM 133 CZ ARG A 790 19.166 21.559 -6.672 1.00 35.22 C ATOM 134 NH1 ARG A 790 18.407 22.556 -7.175 1.00 4.35 N ATOM 135 NH2 ARG A 790 20.126 21.819 -5.805 1.00 10.24 N ATOM 0 H ARG A 790 17.908 16.216 -10.601 1.00 32.42 H new ATOM 0 HA ARG A 790 18.342 19.115 -10.777 1.00 43.53 H new ATOM 0 HB2 ARG A 790 19.470 16.960 -8.944 1.00 63.33 H new ATOM 0 HB3 ARG A 790 20.004 18.629 -8.924 1.00 63.33 H new ATOM 0 HG2 ARG A 790 17.048 18.000 -8.680 1.00 4.15 H new ATOM 0 HG3 ARG A 790 18.086 17.840 -7.277 1.00 4.15 H new ATOM 0 HD2 ARG A 790 18.046 20.384 -8.958 1.00 53.23 H new ATOM 0 HD3 ARG A 790 16.925 20.136 -7.634 1.00 53.23 H new ATOM 0 HE ARG A 790 19.549 19.557 -6.645 1.00 31.04 H new ATOM 0 HH11 ARG A 790 17.667 22.345 -7.844 1.00 4.35 H new ATOM 0 HH12 ARG A 790 18.574 23.520 -6.885 1.00 4.35 H new ATOM 0 HH21 ARG A 790 20.694 21.059 -5.430 1.00 10.24 H new ATOM 0 HH22 ARG A 790 20.300 22.780 -5.510 1.00 10.24 H new ATOM 148 N TYR A 791 19.974 16.957 -12.349 1.00 61.12 N ATOM 149 CA TYR A 791 21.092 16.681 -13.236 1.00 0.14 C ATOM 150 C TYR A 791 20.642 15.861 -14.447 1.00 3.14 C ATOM 151 O TYR A 791 19.994 14.827 -14.294 1.00 61.13 O ATOM 152 CB TYR A 791 22.086 15.855 -12.416 1.00 51.43 C ATOM 153 CG TYR A 791 22.439 16.472 -11.061 1.00 74.41 C ATOM 154 CD1 TYR A 791 23.398 17.460 -10.981 1.00 43.23 C ATOM 155 CD2 TYR A 791 21.797 16.039 -9.918 1.00 71.03 C ATOM 156 CE1 TYR A 791 23.730 18.040 -9.706 1.00 2.13 C ATOM 157 CE2 TYR A 791 22.129 16.619 -8.643 1.00 32.13 C ATOM 158 CZ TYR A 791 23.079 17.591 -8.599 1.00 61.14 C ATOM 159 OH TYR A 791 23.393 18.139 -7.395 1.00 35.43 O ATOM 0 H TYR A 791 19.180 16.326 -12.455 1.00 61.12 H new ATOM 0 HA TYR A 791 21.526 17.609 -13.608 1.00 0.14 H new ATOM 0 HB2 TYR A 791 21.670 14.861 -12.254 1.00 51.43 H new ATOM 0 HB3 TYR A 791 23.001 15.727 -12.995 1.00 51.43 H new ATOM 0 HD1 TYR A 791 23.900 17.799 -11.875 1.00 43.23 H new ATOM 0 HD2 TYR A 791 21.046 15.265 -9.980 1.00 71.03 H new ATOM 0 HE1 TYR A 791 24.479 18.814 -9.630 1.00 2.13 H new ATOM 0 HE2 TYR A 791 21.634 16.289 -7.741 1.00 32.13 H new ATOM 0 HH TYR A 791 22.849 17.723 -6.694 1.00 35.43 H new ATOM 169 N ASP A 792 21.004 16.354 -15.622 1.00 62.20 N ATOM 170 CA ASP A 792 20.646 15.680 -16.858 1.00 70.34 C ATOM 171 C ASP A 792 21.346 14.320 -16.914 1.00 50.43 C ATOM 172 O ASP A 792 22.573 14.252 -16.962 1.00 22.40 O ATOM 173 CB ASP A 792 21.091 16.491 -18.077 1.00 32.02 C ATOM 174 CG ASP A 792 22.605 16.601 -18.262 1.00 45.43 C ATOM 175 OD1 ASP A 792 23.107 16.671 -19.394 1.00 71.43 O ATOM 176 OD2 ASP A 792 23.289 16.615 -17.168 1.00 41.34 O ATOM 0 H ASP A 792 21.542 17.212 -15.744 1.00 62.20 H new ATOM 0 HA ASP A 792 19.562 15.565 -16.877 1.00 70.34 H new ATOM 0 HB2 ASP A 792 20.663 16.039 -18.972 1.00 32.02 H new ATOM 0 HB3 ASP A 792 20.676 17.496 -17.998 1.00 32.02 H new ATOM 182 N PHE A 793 20.535 13.272 -16.907 1.00 4.44 N ATOM 183 CA PHE A 793 21.062 11.919 -16.956 1.00 35.11 C ATOM 184 C PHE A 793 20.869 11.306 -18.344 1.00 71.14 C ATOM 185 O PHE A 793 19.753 11.266 -18.860 1.00 33.43 O ATOM 186 CB PHE A 793 20.274 11.096 -15.934 1.00 64.43 C ATOM 187 CG PHE A 793 21.071 9.946 -15.315 1.00 25.21 C ATOM 188 CD1 PHE A 793 22.361 10.142 -14.931 1.00 64.22 C ATOM 189 CD2 PHE A 793 20.490 8.728 -15.148 1.00 71.30 C ATOM 190 CE1 PHE A 793 23.101 9.075 -14.356 1.00 61.32 C ATOM 191 CE2 PHE A 793 21.230 7.661 -14.573 1.00 74.31 C ATOM 192 CZ PHE A 793 22.520 7.857 -14.189 1.00 75.43 C ATOM 0 H PHE A 793 19.518 13.333 -16.868 1.00 4.44 H new ATOM 0 HA PHE A 793 22.130 11.927 -16.737 1.00 35.11 H new ATOM 0 HB2 PHE A 793 19.931 11.757 -15.138 1.00 64.43 H new ATOM 0 HB3 PHE A 793 19.385 10.690 -16.417 1.00 64.43 H new ATOM 0 HD1 PHE A 793 22.823 11.109 -15.063 1.00 64.22 H new ATOM 0 HD2 PHE A 793 19.466 8.572 -15.453 1.00 71.30 H new ATOM 0 HE1 PHE A 793 24.125 9.231 -14.051 1.00 61.32 H new ATOM 0 HE2 PHE A 793 20.768 6.694 -14.441 1.00 74.31 H new ATOM 0 HZ PHE A 793 23.083 7.046 -13.752 1.00 75.43 H new ATOM 202 N CYS A 794 21.974 10.844 -18.911 1.00 30.23 N ATOM 203 CA CYS A 794 21.941 10.235 -20.230 1.00 32.25 C ATOM 204 C CYS A 794 21.766 8.725 -20.057 1.00 62.40 C ATOM 205 O CYS A 794 22.715 8.022 -19.714 1.00 24.32 O ATOM 206 CB CYS A 794 23.192 10.576 -21.042 1.00 31.44 C ATOM 207 SG CYS A 794 22.850 10.382 -22.829 1.00 11.01 S ATOM 0 H CYS A 794 22.898 10.879 -18.481 1.00 30.23 H new ATOM 0 HA CYS A 794 21.100 10.634 -20.797 1.00 32.25 H new ATOM 0 HB2 CYS A 794 23.504 11.599 -20.832 1.00 31.44 H new ATOM 0 HB3 CYS A 794 24.015 9.925 -20.748 1.00 31.44 H new ATOM 0 HG CYS A 794 23.918 10.676 -23.510 1.00 11.01 H new ATOM 213 N ALA A 795 20.546 8.270 -20.303 1.00 42.31 N ATOM 214 CA ALA A 795 20.235 6.856 -20.179 1.00 41.32 C ATOM 215 C ALA A 795 21.094 6.061 -21.165 1.00 54.40 C ATOM 216 O ALA A 795 20.839 6.077 -22.368 1.00 74.43 O ATOM 217 CB ALA A 795 18.737 6.641 -20.405 1.00 43.34 C ATOM 0 H ALA A 795 19.761 8.856 -20.588 1.00 42.31 H new ATOM 0 HA ALA A 795 20.468 6.498 -19.176 1.00 41.32 H new ATOM 0 HB1 ALA A 795 18.504 5.580 -20.312 1.00 43.34 H new ATOM 0 HB2 ALA A 795 18.172 7.203 -19.661 1.00 43.34 H new ATOM 0 HB3 ALA A 795 18.466 6.986 -21.403 1.00 43.34 H new ATOM 223 N ARG A 796 22.094 5.386 -20.618 1.00 73.23 N ATOM 224 CA ARG A 796 22.991 4.586 -21.435 1.00 3.34 C ATOM 225 C ARG A 796 22.199 3.554 -22.240 1.00 2.31 C ATOM 226 O ARG A 796 22.678 3.054 -23.256 1.00 44.13 O ATOM 227 CB ARG A 796 24.026 3.863 -20.570 1.00 14.45 C ATOM 228 CG ARG A 796 23.385 2.705 -19.802 1.00 61.01 C ATOM 229 CD ARG A 796 24.403 2.028 -18.882 1.00 33.31 C ATOM 230 NE ARG A 796 25.448 1.359 -19.688 1.00 73.44 N ATOM 231 CZ ARG A 796 26.576 1.963 -20.116 1.00 45.13 C ATOM 232 NH1 ARG A 796 26.816 3.258 -19.817 1.00 71.44 N ATOM 233 NH2 ARG A 796 27.442 1.269 -20.831 1.00 44.33 N ATOM 0 H ARG A 796 22.303 5.376 -19.620 1.00 73.23 H new ATOM 0 HA ARG A 796 23.510 5.261 -22.115 1.00 3.34 H new ATOM 0 HB2 ARG A 796 24.831 3.485 -21.200 1.00 14.45 H new ATOM 0 HB3 ARG A 796 24.474 4.566 -19.868 1.00 14.45 H new ATOM 0 HG2 ARG A 796 22.546 3.075 -19.212 1.00 61.01 H new ATOM 0 HG3 ARG A 796 22.983 1.976 -20.505 1.00 61.01 H new ATOM 0 HD2 ARG A 796 24.858 2.768 -18.223 1.00 33.31 H new ATOM 0 HD3 ARG A 796 23.902 1.299 -18.245 1.00 33.31 H new ATOM 0 HE ARG A 796 25.307 0.380 -19.936 1.00 73.44 H new ATOM 0 HH11 ARG A 796 26.142 3.787 -19.264 1.00 71.44 H new ATOM 0 HH12 ARG A 796 27.671 3.707 -20.145 1.00 71.44 H new ATOM 0 HH21 ARG A 796 27.253 0.291 -21.052 1.00 44.33 H new ATOM 0 HH22 ARG A 796 28.300 1.711 -21.162 1.00 44.33 H new ATOM 246 N ASP A 797 21.000 3.266 -21.755 1.00 42.22 N ATOM 247 CA ASP A 797 20.137 2.303 -22.417 1.00 61.21 C ATOM 248 C ASP A 797 18.683 2.574 -22.026 1.00 40.22 C ATOM 249 O ASP A 797 18.402 3.508 -21.276 1.00 21.41 O ATOM 250 CB ASP A 797 20.481 0.873 -21.994 1.00 44.35 C ATOM 251 CG ASP A 797 21.900 0.419 -22.345 1.00 12.22 C ATOM 252 OD1 ASP A 797 22.356 0.574 -23.487 1.00 70.24 O ATOM 253 OD2 ASP A 797 22.555 -0.121 -21.374 1.00 33.15 O ATOM 0 H ASP A 797 20.606 3.683 -20.911 1.00 42.22 H new ATOM 0 HA ASP A 797 20.280 2.406 -23.493 1.00 61.21 H new ATOM 0 HB2 ASP A 797 20.344 0.786 -20.916 1.00 44.35 H new ATOM 0 HB3 ASP A 797 19.771 0.191 -22.462 1.00 44.35 H new ATOM 259 N ARG A 798 17.797 1.742 -22.552 1.00 70.53 N ATOM 260 CA ARG A 798 16.379 1.880 -22.268 1.00 32.13 C ATOM 261 C ARG A 798 16.081 1.448 -20.831 1.00 21.44 C ATOM 262 O ARG A 798 14.956 1.592 -20.356 1.00 13.04 O ATOM 263 CB ARG A 798 15.539 1.038 -23.231 1.00 1.15 C ATOM 264 CG ARG A 798 14.082 1.504 -23.238 1.00 52.24 C ATOM 265 CD ARG A 798 13.859 2.590 -24.293 1.00 60.24 C ATOM 266 NE ARG A 798 12.436 2.616 -24.699 1.00 41.54 N ATOM 267 CZ ARG A 798 11.475 3.300 -24.043 1.00 54.45 C ATOM 268 NH1 ARG A 798 11.776 4.021 -22.943 1.00 3.25 N ATOM 269 NH2 ARG A 798 10.235 3.254 -24.495 1.00 30.23 N ATOM 0 H ARG A 798 18.034 0.969 -23.174 1.00 70.53 H new ATOM 0 HA ARG A 798 16.116 2.930 -22.398 1.00 32.13 H new ATOM 0 HB2 ARG A 798 15.952 1.109 -24.237 1.00 1.15 H new ATOM 0 HB3 ARG A 798 15.588 -0.011 -22.940 1.00 1.15 H new ATOM 0 HG2 ARG A 798 13.426 0.657 -23.439 1.00 52.24 H new ATOM 0 HG3 ARG A 798 13.814 1.888 -22.254 1.00 52.24 H new ATOM 0 HD2 ARG A 798 14.150 3.562 -23.894 1.00 60.24 H new ATOM 0 HD3 ARG A 798 14.490 2.400 -25.161 1.00 60.24 H new ATOM 0 HE ARG A 798 12.165 2.084 -25.526 1.00 41.54 H new ATOM 0 HH11 ARG A 798 12.736 4.052 -22.601 1.00 3.25 H new ATOM 0 HH12 ARG A 798 11.043 4.535 -22.454 1.00 3.25 H new ATOM 0 HH21 ARG A 798 10.016 2.707 -25.328 1.00 30.23 H new ATOM 0 HH22 ARG A 798 9.497 3.765 -24.011 1.00 30.23 H new ATOM 282 N SER A 799 17.110 0.926 -20.178 1.00 74.24 N ATOM 283 CA SER A 799 16.972 0.471 -18.805 1.00 43.50 C ATOM 284 C SER A 799 17.048 1.664 -17.849 1.00 62.13 C ATOM 285 O SER A 799 16.744 1.535 -16.665 1.00 32.25 O ATOM 286 CB SER A 799 18.049 -0.558 -18.455 1.00 75.24 C ATOM 287 OG SER A 799 19.299 -0.252 -19.066 1.00 40.13 O ATOM 0 H SER A 799 18.042 0.808 -20.575 1.00 74.24 H new ATOM 0 HA SER A 799 16.000 -0.010 -18.700 1.00 43.50 H new ATOM 0 HB2 SER A 799 18.175 -0.597 -17.373 1.00 75.24 H new ATOM 0 HB3 SER A 799 17.722 -1.548 -18.774 1.00 75.24 H new ATOM 0 HG SER A 799 19.960 -0.931 -18.817 1.00 40.13 H new ATOM 293 N GLU A 800 17.456 2.798 -18.400 1.00 72.22 N ATOM 294 CA GLU A 800 17.576 4.012 -17.612 1.00 15.35 C ATOM 295 C GLU A 800 16.623 5.086 -18.142 1.00 31.31 C ATOM 296 O GLU A 800 16.315 5.114 -19.332 1.00 74.44 O ATOM 297 CB GLU A 800 19.019 4.518 -17.599 1.00 44.25 C ATOM 298 CG GLU A 800 19.283 5.396 -16.374 1.00 53.03 C ATOM 299 CD GLU A 800 19.649 4.544 -15.158 1.00 23.33 C ATOM 300 OE1 GLU A 800 20.757 3.990 -15.100 1.00 61.41 O ATOM 301 OE2 GLU A 800 18.736 4.468 -14.250 1.00 0.12 O ATOM 0 H GLU A 800 17.708 2.901 -19.383 1.00 72.22 H new ATOM 0 HA GLU A 800 17.298 3.782 -16.584 1.00 15.35 H new ATOM 0 HB2 GLU A 800 19.705 3.671 -17.598 1.00 44.25 H new ATOM 0 HB3 GLU A 800 19.217 5.087 -18.508 1.00 44.25 H new ATOM 0 HG2 GLU A 800 20.092 6.094 -16.590 1.00 53.03 H new ATOM 0 HG3 GLU A 800 18.398 5.992 -16.152 1.00 53.03 H new ATOM 309 N LEU A 801 16.183 5.943 -17.233 1.00 3.15 N ATOM 310 CA LEU A 801 15.272 7.016 -17.594 1.00 20.40 C ATOM 311 C LEU A 801 16.080 8.243 -18.021 1.00 74.24 C ATOM 312 O LEU A 801 17.100 8.561 -17.413 1.00 41.51 O ATOM 313 CB LEU A 801 14.291 7.292 -16.453 1.00 54.12 C ATOM 314 CG LEU A 801 12.878 7.708 -16.869 1.00 62.04 C ATOM 315 CD1 LEU A 801 12.021 8.039 -15.646 1.00 62.21 C ATOM 316 CD2 LEU A 801 12.920 8.865 -17.870 1.00 32.30 C ATOM 0 H LEU A 801 16.441 5.916 -16.246 1.00 3.15 H new ATOM 0 HA LEU A 801 14.659 6.725 -18.447 1.00 20.40 H new ATOM 0 HB2 LEU A 801 14.218 6.395 -15.838 1.00 54.12 H new ATOM 0 HB3 LEU A 801 14.709 8.077 -15.823 1.00 54.12 H new ATOM 0 HG LEU A 801 12.407 6.863 -17.372 1.00 62.04 H new ATOM 0 HD11 LEU A 801 11.022 8.331 -15.970 1.00 62.21 H new ATOM 0 HD12 LEU A 801 11.951 7.162 -15.002 1.00 62.21 H new ATOM 0 HD13 LEU A 801 12.478 8.860 -15.093 1.00 62.21 H new ATOM 0 HD21 LEU A 801 11.903 9.141 -18.149 1.00 32.30 H new ATOM 0 HD22 LEU A 801 13.417 9.722 -17.415 1.00 32.30 H new ATOM 0 HD23 LEU A 801 13.470 8.557 -18.759 1.00 32.30 H new ATOM 328 N SER A 802 15.592 8.898 -19.065 1.00 3.13 N ATOM 329 CA SER A 802 16.256 10.083 -19.581 1.00 1.33 C ATOM 330 C SER A 802 15.866 11.306 -18.748 1.00 33.01 C ATOM 331 O SER A 802 14.735 11.782 -18.830 1.00 54.33 O ATOM 332 CB SER A 802 15.910 10.311 -21.053 1.00 55.53 C ATOM 333 OG SER A 802 15.927 11.694 -21.398 1.00 4.11 O ATOM 0 H SER A 802 14.745 8.631 -19.567 1.00 3.13 H new ATOM 0 HA SER A 802 17.333 9.931 -19.509 1.00 1.33 H new ATOM 0 HB2 SER A 802 16.621 9.772 -21.680 1.00 55.53 H new ATOM 0 HB3 SER A 802 14.923 9.897 -21.262 1.00 55.53 H new ATOM 0 HG SER A 802 15.702 11.797 -22.346 1.00 4.11 H new ATOM 339 N LEU A 803 16.824 11.779 -17.965 1.00 11.13 N ATOM 340 CA LEU A 803 16.595 12.937 -17.118 1.00 14.24 C ATOM 341 C LEU A 803 17.120 14.190 -17.821 1.00 4.12 C ATOM 342 O LEU A 803 17.978 14.100 -18.698 1.00 53.32 O ATOM 343 CB LEU A 803 17.197 12.713 -15.729 1.00 74.10 C ATOM 344 CG LEU A 803 16.275 12.061 -14.696 1.00 25.31 C ATOM 345 CD1 LEU A 803 15.301 11.090 -15.366 1.00 14.42 C ATOM 346 CD2 LEU A 803 17.086 11.385 -13.588 1.00 12.43 C ATOM 0 H LEU A 803 17.761 11.381 -17.899 1.00 11.13 H new ATOM 0 HA LEU A 803 15.527 13.085 -16.957 1.00 14.24 H new ATOM 0 HB2 LEU A 803 18.087 12.092 -15.836 1.00 74.10 H new ATOM 0 HB3 LEU A 803 17.525 13.676 -15.337 1.00 74.10 H new ATOM 0 HG LEU A 803 15.678 12.844 -14.228 1.00 25.31 H new ATOM 0 HD11 LEU A 803 14.657 10.641 -14.610 1.00 14.42 H new ATOM 0 HD12 LEU A 803 14.689 11.629 -16.089 1.00 14.42 H new ATOM 0 HD13 LEU A 803 15.861 10.307 -15.877 1.00 14.42 H new ATOM 0 HD21 LEU A 803 16.408 10.929 -12.867 1.00 12.43 H new ATOM 0 HD22 LEU A 803 17.724 10.615 -14.022 1.00 12.43 H new ATOM 0 HD23 LEU A 803 17.705 12.128 -13.085 1.00 12.43 H new ATOM 358 N LYS A 804 16.585 15.330 -17.409 1.00 74.21 N ATOM 359 CA LYS A 804 16.989 16.599 -17.989 1.00 0.44 C ATOM 360 C LYS A 804 16.689 17.726 -16.998 1.00 22.13 C ATOM 361 O LYS A 804 15.528 18.041 -16.743 1.00 32.51 O ATOM 362 CB LYS A 804 16.336 16.795 -19.358 1.00 42.34 C ATOM 363 CG LYS A 804 17.247 17.596 -20.291 1.00 4.55 C ATOM 364 CD LYS A 804 16.946 19.094 -20.198 1.00 23.30 C ATOM 365 CE LYS A 804 17.616 19.859 -21.341 1.00 54.21 C ATOM 366 NZ LYS A 804 17.610 21.313 -21.064 1.00 41.14 N ATOM 0 H LYS A 804 15.875 15.401 -16.680 1.00 74.21 H new ATOM 0 HA LYS A 804 18.064 16.610 -18.170 1.00 0.44 H new ATOM 0 HB2 LYS A 804 16.117 15.824 -19.803 1.00 42.34 H new ATOM 0 HB3 LYS A 804 15.384 17.313 -19.240 1.00 42.34 H new ATOM 0 HG2 LYS A 804 18.290 17.414 -20.031 1.00 4.55 H new ATOM 0 HG3 LYS A 804 17.110 17.257 -21.318 1.00 4.55 H new ATOM 0 HD2 LYS A 804 15.868 19.255 -20.230 1.00 23.30 H new ATOM 0 HD3 LYS A 804 17.298 19.481 -19.241 1.00 23.30 H new ATOM 0 HE2 LYS A 804 18.641 19.511 -21.468 1.00 54.21 H new ATOM 0 HE3 LYS A 804 17.093 19.659 -22.276 1.00 54.21 H new ATOM 0 HZ1 LYS A 804 18.068 21.818 -21.849 1.00 41.14 H new ATOM 0 HZ2 LYS A 804 16.629 21.644 -20.966 1.00 41.14 H new ATOM 0 HZ3 LYS A 804 18.129 21.501 -20.182 1.00 41.14 H new ATOM 379 N GLU A 805 17.757 18.303 -16.466 1.00 31.52 N ATOM 380 CA GLU A 805 17.623 19.387 -15.508 1.00 53.44 C ATOM 381 C GLU A 805 16.474 20.313 -15.913 1.00 12.30 C ATOM 382 O GLU A 805 16.355 20.688 -17.078 1.00 41.34 O ATOM 383 CB GLU A 805 18.933 20.166 -15.375 1.00 20.24 C ATOM 384 CG GLU A 805 19.886 19.471 -14.400 1.00 44.31 C ATOM 385 CD GLU A 805 21.345 19.725 -14.785 1.00 42.33 C ATOM 386 OE1 GLU A 805 22.217 19.787 -13.906 1.00 30.53 O ATOM 387 OE2 GLU A 805 21.559 19.860 -16.050 1.00 45.22 O ATOM 0 H GLU A 805 18.719 18.040 -16.680 1.00 31.52 H new ATOM 0 HA GLU A 805 17.393 18.958 -14.533 1.00 53.44 H new ATOM 0 HB2 GLU A 805 19.408 20.256 -16.352 1.00 20.24 H new ATOM 0 HB3 GLU A 805 18.725 21.178 -15.027 1.00 20.24 H new ATOM 0 HG2 GLU A 805 19.705 19.833 -13.388 1.00 44.31 H new ATOM 0 HG3 GLU A 805 19.689 18.399 -14.395 1.00 44.31 H new ATOM 395 N GLY A 806 15.657 20.655 -14.928 1.00 13.23 N ATOM 396 CA GLY A 806 14.521 21.530 -15.166 1.00 44.14 C ATOM 397 C GLY A 806 13.263 20.721 -15.486 1.00 61.34 C ATOM 398 O GLY A 806 12.165 21.272 -15.549 1.00 64.03 O ATOM 0 H GLY A 806 15.759 20.342 -13.963 1.00 13.23 H new ATOM 0 HA2 GLY A 806 14.345 22.150 -14.287 1.00 44.14 H new ATOM 0 HA3 GLY A 806 14.744 22.204 -15.993 1.00 44.14 H new ATOM 402 N ASP A 807 13.465 19.426 -15.680 1.00 73.42 N ATOM 403 CA ASP A 807 12.360 18.535 -15.992 1.00 70.31 C ATOM 404 C ASP A 807 11.883 17.852 -14.709 1.00 13.45 C ATOM 405 O ASP A 807 12.589 17.853 -13.701 1.00 52.24 O ATOM 406 CB ASP A 807 12.792 17.444 -16.974 1.00 42.45 C ATOM 407 CG ASP A 807 13.187 17.946 -18.365 1.00 2.32 C ATOM 408 OD1 ASP A 807 13.170 17.188 -19.346 1.00 52.51 O ATOM 409 OD2 ASP A 807 13.529 19.189 -18.419 1.00 55.21 O ATOM 0 H ASP A 807 14.377 18.972 -15.627 1.00 73.42 H new ATOM 0 HA ASP A 807 11.564 19.130 -16.440 1.00 70.31 H new ATOM 0 HB2 ASP A 807 13.636 16.904 -16.546 1.00 42.45 H new ATOM 0 HB3 ASP A 807 11.977 16.728 -17.080 1.00 42.45 H new ATOM 415 N ILE A 808 10.687 17.286 -14.787 1.00 4.35 N ATOM 416 CA ILE A 808 10.107 16.602 -13.643 1.00 65.25 C ATOM 417 C ILE A 808 9.940 15.118 -13.975 1.00 34.53 C ATOM 418 O ILE A 808 9.482 14.768 -15.062 1.00 4.31 O ATOM 419 CB ILE A 808 8.809 17.286 -13.211 1.00 41.13 C ATOM 420 CG1 ILE A 808 8.109 17.939 -14.405 1.00 65.34 C ATOM 421 CG2 ILE A 808 9.066 18.285 -12.081 1.00 52.12 C ATOM 422 CD1 ILE A 808 8.758 19.280 -14.755 1.00 61.41 C ATOM 0 H ILE A 808 10.104 17.287 -15.624 1.00 4.35 H new ATOM 0 HA ILE A 808 10.773 16.664 -12.783 1.00 65.25 H new ATOM 0 HB ILE A 808 8.135 16.524 -12.820 1.00 41.13 H new ATOM 0 HG12 ILE A 808 8.155 17.273 -15.267 1.00 65.34 H new ATOM 0 HG13 ILE A 808 7.054 18.090 -14.175 1.00 65.34 H new ATOM 0 HG21 ILE A 808 8.127 18.757 -11.792 1.00 52.12 H new ATOM 0 HG22 ILE A 808 9.488 17.763 -11.223 1.00 52.12 H new ATOM 0 HG23 ILE A 808 9.766 19.048 -12.422 1.00 52.12 H new ATOM 0 HD11 ILE A 808 8.242 19.723 -15.607 1.00 61.41 H new ATOM 0 HD12 ILE A 808 8.689 19.952 -13.899 1.00 61.41 H new ATOM 0 HD13 ILE A 808 9.806 19.122 -15.008 1.00 61.41 H new ATOM 434 N ILE A 809 10.318 14.284 -13.017 1.00 65.22 N ATOM 435 CA ILE A 809 10.216 12.845 -13.194 1.00 14.25 C ATOM 436 C ILE A 809 8.990 12.329 -12.437 1.00 10.32 C ATOM 437 O ILE A 809 8.947 12.382 -11.209 1.00 32.23 O ATOM 438 CB ILE A 809 11.522 12.161 -12.787 1.00 63.21 C ATOM 439 CG1 ILE A 809 12.536 12.190 -13.933 1.00 72.40 C ATOM 440 CG2 ILE A 809 11.264 10.738 -12.286 1.00 55.43 C ATOM 441 CD1 ILE A 809 13.329 13.498 -13.931 1.00 30.13 C ATOM 0 H ILE A 809 10.695 14.577 -12.116 1.00 65.22 H new ATOM 0 HA ILE A 809 10.069 12.600 -14.246 1.00 14.25 H new ATOM 0 HB ILE A 809 11.956 12.720 -11.958 1.00 63.21 H new ATOM 0 HG12 ILE A 809 13.220 11.346 -13.840 1.00 72.40 H new ATOM 0 HG13 ILE A 809 12.017 12.077 -14.885 1.00 72.40 H new ATOM 0 HG21 ILE A 809 12.209 10.275 -12.003 1.00 55.43 H new ATOM 0 HG22 ILE A 809 10.603 10.771 -11.420 1.00 55.43 H new ATOM 0 HG23 ILE A 809 10.796 10.153 -13.077 1.00 55.43 H new ATOM 0 HD11 ILE A 809 14.042 13.492 -14.755 1.00 30.13 H new ATOM 0 HD12 ILE A 809 12.645 14.338 -14.049 1.00 30.13 H new ATOM 0 HD13 ILE A 809 13.866 13.597 -12.987 1.00 30.13 H new ATOM 453 N LYS A 810 8.024 11.843 -13.202 1.00 33.34 N ATOM 454 CA LYS A 810 6.801 11.318 -12.619 1.00 34.23 C ATOM 455 C LYS A 810 7.123 10.053 -11.820 1.00 2.31 C ATOM 456 O LYS A 810 7.540 9.045 -12.388 1.00 53.23 O ATOM 457 CB LYS A 810 5.739 11.108 -13.700 1.00 72.11 C ATOM 458 CG LYS A 810 4.573 10.271 -13.169 1.00 22.10 C ATOM 459 CD LYS A 810 4.150 10.742 -11.776 1.00 55.34 C ATOM 460 CE LYS A 810 2.638 10.602 -11.586 1.00 70.44 C ATOM 461 NZ LYS A 810 2.302 10.521 -10.147 1.00 71.43 N ATOM 0 H LYS A 810 8.063 11.802 -14.220 1.00 33.34 H new ATOM 0 HA LYS A 810 6.374 12.037 -11.920 1.00 34.23 H new ATOM 0 HB2 LYS A 810 5.370 12.074 -14.045 1.00 72.11 H new ATOM 0 HB3 LYS A 810 6.185 10.611 -14.561 1.00 72.11 H new ATOM 0 HG2 LYS A 810 3.728 10.343 -13.853 1.00 22.10 H new ATOM 0 HG3 LYS A 810 4.863 9.221 -13.129 1.00 22.10 H new ATOM 0 HD2 LYS A 810 4.671 10.159 -11.017 1.00 55.34 H new ATOM 0 HD3 LYS A 810 4.443 11.782 -11.635 1.00 55.34 H new ATOM 0 HE2 LYS A 810 2.128 11.453 -12.037 1.00 70.44 H new ATOM 0 HE3 LYS A 810 2.282 9.709 -12.099 1.00 70.44 H new ATOM 0 HZ1 LYS A 810 1.337 10.878 -9.995 1.00 71.43 H new ATOM 0 HZ2 LYS A 810 2.359 9.531 -9.832 1.00 71.43 H new ATOM 0 HZ3 LYS A 810 2.974 11.097 -9.601 1.00 71.43 H new ATOM 474 N ILE A 811 6.918 10.148 -10.514 1.00 43.34 N ATOM 475 CA ILE A 811 7.182 9.025 -9.632 1.00 22.52 C ATOM 476 C ILE A 811 6.029 8.024 -9.729 1.00 32.24 C ATOM 477 O ILE A 811 4.862 8.406 -9.650 1.00 4.13 O ATOM 478 CB ILE A 811 7.454 9.514 -8.208 1.00 32.12 C ATOM 479 CG1 ILE A 811 8.477 10.651 -8.205 1.00 4.21 C ATOM 480 CG2 ILE A 811 7.880 8.357 -7.302 1.00 62.33 C ATOM 481 CD1 ILE A 811 9.906 10.103 -8.219 1.00 51.24 C ATOM 0 H ILE A 811 6.572 10.986 -10.046 1.00 43.34 H new ATOM 0 HA ILE A 811 8.086 8.501 -9.942 1.00 22.52 H new ATOM 0 HB ILE A 811 6.525 9.915 -7.802 1.00 32.12 H new ATOM 0 HG12 ILE A 811 8.320 11.289 -9.075 1.00 4.21 H new ATOM 0 HG13 ILE A 811 8.331 11.274 -7.322 1.00 4.21 H new ATOM 0 HG21 ILE A 811 8.067 8.733 -6.296 1.00 62.33 H new ATOM 0 HG22 ILE A 811 7.087 7.610 -7.269 1.00 62.33 H new ATOM 0 HG23 ILE A 811 8.790 7.903 -7.695 1.00 62.33 H new ATOM 0 HD11 ILE A 811 10.614 10.932 -8.217 1.00 51.24 H new ATOM 0 HD12 ILE A 811 10.068 9.485 -7.335 1.00 51.24 H new ATOM 0 HD13 ILE A 811 10.056 9.501 -9.115 1.00 51.24 H new ATOM 493 N LEU A 812 6.395 6.762 -9.898 1.00 62.12 N ATOM 494 CA LEU A 812 5.406 5.703 -10.007 1.00 14.54 C ATOM 495 C LEU A 812 5.637 4.679 -8.894 1.00 11.12 C ATOM 496 O LEU A 812 4.688 4.228 -8.254 1.00 4.04 O ATOM 497 CB LEU A 812 5.420 5.099 -11.412 1.00 32.41 C ATOM 498 CG LEU A 812 5.649 6.081 -12.562 1.00 64.35 C ATOM 499 CD1 LEU A 812 6.416 5.415 -13.707 1.00 32.11 C ATOM 500 CD2 LEU A 812 4.328 6.690 -13.035 1.00 72.45 C ATOM 0 H LEU A 812 7.364 6.449 -9.962 1.00 62.12 H new ATOM 0 HA LEU A 812 4.402 6.104 -9.868 1.00 14.54 H new ATOM 0 HB2 LEU A 812 6.199 4.337 -11.451 1.00 32.41 H new ATOM 0 HB3 LEU A 812 4.469 4.592 -11.577 1.00 32.41 H new ATOM 0 HG LEU A 812 6.267 6.900 -12.194 1.00 64.35 H new ATOM 0 HD11 LEU A 812 6.566 6.135 -14.512 1.00 32.11 H new ATOM 0 HD12 LEU A 812 7.384 5.070 -13.344 1.00 32.11 H new ATOM 0 HD13 LEU A 812 5.845 4.565 -14.082 1.00 32.11 H new ATOM 0 HD21 LEU A 812 4.520 7.384 -13.853 1.00 72.45 H new ATOM 0 HD22 LEU A 812 3.665 5.897 -13.380 1.00 72.45 H new ATOM 0 HD23 LEU A 812 3.857 7.223 -12.209 1.00 72.45 H new ATOM 512 N ASN A 813 6.903 4.342 -8.698 1.00 20.24 N ATOM 513 CA ASN A 813 7.271 3.379 -7.673 1.00 51.04 C ATOM 514 C ASN A 813 8.449 3.926 -6.865 1.00 63.02 C ATOM 515 O ASN A 813 9.314 4.611 -7.408 1.00 44.34 O ATOM 516 CB ASN A 813 7.701 2.050 -8.296 1.00 63.42 C ATOM 517 CG ASN A 813 6.509 1.103 -8.446 1.00 30.54 C ATOM 518 OD1 ASN A 813 5.674 1.247 -9.324 1.00 4.23 O ATOM 519 ND2 ASN A 813 6.476 0.128 -7.541 1.00 73.13 N ATOM 0 H ASN A 813 7.687 4.718 -9.231 1.00 20.24 H new ATOM 0 HA ASN A 813 6.402 3.214 -7.037 1.00 51.04 H new ATOM 0 HB2 ASN A 813 8.151 2.231 -9.272 1.00 63.42 H new ATOM 0 HB3 ASN A 813 8.465 1.583 -7.674 1.00 63.42 H new ATOM 0 HD21 ASN A 813 5.720 -0.556 -7.556 1.00 73.13 H new ATOM 0 HD22 ASN A 813 7.207 0.065 -6.833 1.00 73.13 H new ATOM 526 N LYS A 814 8.445 3.603 -5.580 1.00 63.54 N ATOM 527 CA LYS A 814 9.503 4.053 -4.692 1.00 22.20 C ATOM 528 C LYS A 814 9.959 2.885 -3.815 1.00 73.31 C ATOM 529 O LYS A 814 9.418 2.669 -2.732 1.00 12.55 O ATOM 530 CB LYS A 814 9.049 5.278 -3.896 1.00 44.55 C ATOM 531 CG LYS A 814 9.341 6.569 -4.664 1.00 43.33 C ATOM 532 CD LYS A 814 9.584 7.735 -3.704 1.00 2.40 C ATOM 533 CE LYS A 814 8.275 8.456 -3.375 1.00 5.41 C ATOM 534 NZ LYS A 814 8.533 9.879 -3.058 1.00 51.02 N ATOM 0 H LYS A 814 7.726 3.035 -5.133 1.00 63.54 H new ATOM 0 HA LYS A 814 10.370 4.378 -5.267 1.00 22.20 H new ATOM 0 HB2 LYS A 814 7.981 5.207 -3.690 1.00 44.55 H new ATOM 0 HB3 LYS A 814 9.559 5.300 -2.933 1.00 44.55 H new ATOM 0 HG2 LYS A 814 10.215 6.428 -5.300 1.00 43.33 H new ATOM 0 HG3 LYS A 814 8.503 6.803 -5.321 1.00 43.33 H new ATOM 0 HD2 LYS A 814 10.041 7.366 -2.786 1.00 2.40 H new ATOM 0 HD3 LYS A 814 10.288 8.437 -4.150 1.00 2.40 H new ATOM 0 HE2 LYS A 814 7.591 8.384 -4.220 1.00 5.41 H new ATOM 0 HE3 LYS A 814 7.788 7.971 -2.529 1.00 5.41 H new ATOM 0 HZ1 LYS A 814 7.635 10.354 -2.837 1.00 51.02 H new ATOM 0 HZ2 LYS A 814 9.169 9.942 -2.237 1.00 51.02 H new ATOM 0 HZ3 LYS A 814 8.977 10.342 -3.877 1.00 51.02 H new ATOM 609 N GLY A 819 18.291 3.247 -3.392 1.00 44.54 N ATOM 610 CA GLY A 819 18.695 2.724 -4.686 1.00 61.23 C ATOM 611 C GLY A 819 18.287 3.674 -5.814 1.00 0.00 C ATOM 612 O GLY A 819 18.992 4.639 -6.103 1.00 5.31 O ATOM 0 HA2 GLY A 819 19.775 2.578 -4.702 1.00 61.23 H new ATOM 0 HA3 GLY A 819 18.239 1.747 -4.846 1.00 61.23 H new ATOM 616 N TRP A 820 17.150 3.367 -6.421 1.00 12.34 N ATOM 617 CA TRP A 820 16.639 4.182 -7.510 1.00 64.02 C ATOM 618 C TRP A 820 15.116 4.247 -7.378 1.00 44.44 C ATOM 619 O TRP A 820 14.532 3.561 -6.541 1.00 42.23 O ATOM 620 CB TRP A 820 17.099 3.638 -8.864 1.00 24.51 C ATOM 621 CG TRP A 820 16.614 2.217 -9.161 1.00 54.52 C ATOM 622 CD1 TRP A 820 15.808 1.448 -8.416 1.00 53.34 C ATOM 623 CD2 TRP A 820 16.937 1.423 -10.322 1.00 4.31 C ATOM 624 NE1 TRP A 820 15.589 0.221 -9.010 1.00 4.54 N ATOM 625 CE2 TRP A 820 16.298 0.206 -10.205 1.00 62.02 C ATOM 626 CE3 TRP A 820 17.744 1.724 -11.434 1.00 32.22 C ATOM 627 CZ2 TRP A 820 16.399 -0.808 -11.165 1.00 60.03 C ATOM 628 CZ3 TRP A 820 17.834 0.700 -12.384 1.00 64.14 C ATOM 629 CH2 TRP A 820 17.197 -0.531 -12.282 1.00 22.14 C ATOM 0 H TRP A 820 16.568 2.565 -6.179 1.00 12.34 H new ATOM 0 HA TRP A 820 17.037 5.195 -7.453 1.00 64.02 H new ATOM 0 HB2 TRP A 820 16.745 4.304 -9.651 1.00 24.51 H new ATOM 0 HB3 TRP A 820 18.188 3.654 -8.899 1.00 24.51 H new ATOM 0 HD1 TRP A 820 15.383 1.750 -7.470 1.00 53.34 H new ATOM 0 HE1 TRP A 820 15.013 -0.535 -8.640 1.00 4.54 H new ATOM 0 HE3 TRP A 820 18.253 2.670 -11.546 1.00 32.22 H new ATOM 0 HZ2 TRP A 820 15.889 -1.753 -11.050 1.00 60.03 H new ATOM 0 HZ3 TRP A 820 18.442 0.879 -13.259 1.00 64.14 H new ATOM 0 HH2 TRP A 820 17.317 -1.270 -13.060 1.00 22.14 H new ATOM 640 N TRP A 821 14.517 5.079 -8.218 1.00 0.03 N ATOM 641 CA TRP A 821 13.073 5.243 -8.206 1.00 3.04 C ATOM 642 C TRP A 821 12.569 5.102 -9.643 1.00 44.54 C ATOM 643 O TRP A 821 13.206 5.586 -10.578 1.00 52.41 O ATOM 644 CB TRP A 821 12.678 6.573 -7.561 1.00 20.01 C ATOM 645 CG TRP A 821 12.608 6.528 -6.033 1.00 64.41 C ATOM 646 CD1 TRP A 821 12.436 5.457 -5.247 1.00 31.45 C ATOM 647 CD2 TRP A 821 12.718 7.651 -5.134 1.00 13.13 C ATOM 648 NE1 TRP A 821 12.426 5.806 -3.911 1.00 71.14 N ATOM 649 CE2 TRP A 821 12.603 7.183 -3.841 1.00 32.22 C ATOM 650 CE3 TRP A 821 12.907 9.018 -5.404 1.00 25.31 C ATOM 651 CZ2 TRP A 821 12.664 8.014 -2.716 1.00 45.20 C ATOM 652 CZ3 TRP A 821 12.967 9.835 -4.269 1.00 51.50 C ATOM 653 CH2 TRP A 821 12.853 9.380 -2.961 1.00 31.41 C ATOM 0 H TRP A 821 15.005 5.646 -8.911 1.00 0.03 H new ATOM 0 HA TRP A 821 12.602 4.472 -7.595 1.00 3.04 H new ATOM 0 HB2 TRP A 821 13.396 7.337 -7.859 1.00 20.01 H new ATOM 0 HB3 TRP A 821 11.707 6.879 -7.950 1.00 20.01 H new ATOM 0 HD1 TRP A 821 12.320 4.447 -5.612 1.00 31.45 H new ATOM 0 HE1 TRP A 821 12.310 5.171 -3.121 1.00 71.14 H new ATOM 0 HE3 TRP A 821 12.999 9.407 -6.407 1.00 25.31 H new ATOM 0 HZ2 TRP A 821 12.570 7.623 -1.714 1.00 45.20 H new ATOM 0 HZ3 TRP A 821 13.112 10.894 -4.421 1.00 51.50 H new ATOM 0 HH2 TRP A 821 12.910 10.076 -2.137 1.00 31.41 H new ATOM 664 N ARG A 822 11.431 4.438 -9.775 1.00 71.22 N ATOM 665 CA ARG A 822 10.834 4.227 -11.083 1.00 42.42 C ATOM 666 C ARG A 822 9.901 5.388 -11.434 1.00 35.24 C ATOM 667 O ARG A 822 9.013 5.731 -10.655 1.00 15.41 O ATOM 668 CB ARG A 822 10.046 2.917 -11.125 1.00 33.04 C ATOM 669 CG ARG A 822 10.109 2.282 -12.515 1.00 43.54 C ATOM 670 CD ARG A 822 8.837 1.487 -12.814 1.00 31.12 C ATOM 671 NE ARG A 822 9.134 0.395 -13.768 1.00 45.50 N ATOM 672 CZ ARG A 822 8.192 -0.319 -14.419 1.00 52.31 C ATOM 673 NH1 ARG A 822 6.881 -0.062 -14.224 1.00 10.24 N ATOM 674 NH2 ARG A 822 8.571 -1.272 -15.250 1.00 21.04 N ATOM 0 H ARG A 822 10.906 4.039 -8.997 1.00 71.22 H new ATOM 0 HA ARG A 822 11.643 4.173 -11.812 1.00 42.42 H new ATOM 0 HB2 ARG A 822 10.448 2.223 -10.386 1.00 33.04 H new ATOM 0 HB3 ARG A 822 9.007 3.105 -10.854 1.00 33.04 H new ATOM 0 HG2 ARG A 822 10.242 3.059 -13.268 1.00 43.54 H new ATOM 0 HG3 ARG A 822 10.976 1.625 -12.579 1.00 43.54 H new ATOM 0 HD2 ARG A 822 8.431 1.074 -11.891 1.00 31.12 H new ATOM 0 HD3 ARG A 822 8.075 2.147 -13.230 1.00 31.12 H new ATOM 0 HE ARG A 822 10.113 0.168 -13.945 1.00 45.50 H new ATOM 0 HH11 ARG A 822 6.596 0.677 -13.581 1.00 10.24 H new ATOM 0 HH12 ARG A 822 6.175 -0.606 -14.720 1.00 10.24 H new ATOM 0 HH21 ARG A 822 9.563 -1.460 -15.392 1.00 21.04 H new ATOM 0 HH22 ARG A 822 7.871 -1.821 -15.750 1.00 21.04 H new ATOM 687 N GLY A 823 10.133 5.959 -12.606 1.00 2.41 N ATOM 688 CA GLY A 823 9.324 7.074 -13.069 1.00 31.12 C ATOM 689 C GLY A 823 9.266 7.112 -14.597 1.00 72.23 C ATOM 690 O GLY A 823 9.634 6.143 -15.260 1.00 51.22 O ATOM 0 H GLY A 823 10.870 5.671 -13.250 1.00 2.41 H new ATOM 0 HA2 GLY A 823 8.315 6.988 -12.665 1.00 31.12 H new ATOM 0 HA3 GLY A 823 9.739 8.010 -12.694 1.00 31.12 H new ATOM 694 N GLU A 824 8.801 8.241 -15.112 1.00 72.52 N ATOM 695 CA GLU A 824 8.690 8.417 -16.550 1.00 52.32 C ATOM 696 C GLU A 824 8.670 9.906 -16.902 1.00 13.21 C ATOM 697 O GLU A 824 8.366 10.744 -16.054 1.00 22.10 O ATOM 698 CB GLU A 824 7.449 7.708 -17.096 1.00 14.44 C ATOM 699 CG GLU A 824 7.038 8.286 -18.452 1.00 4.34 C ATOM 700 CD GLU A 824 5.789 7.586 -18.991 1.00 3.23 C ATOM 701 OE1 GLU A 824 4.687 7.789 -18.460 1.00 22.24 O ATOM 702 OE2 GLU A 824 5.993 6.808 -20.000 1.00 12.45 O ATOM 0 H GLU A 824 8.497 9.043 -14.559 1.00 72.52 H new ATOM 0 HA GLU A 824 9.563 7.964 -17.020 1.00 52.32 H new ATOM 0 HB2 GLU A 824 7.650 6.642 -17.197 1.00 14.44 H new ATOM 0 HB3 GLU A 824 6.626 7.811 -16.388 1.00 14.44 H new ATOM 0 HG2 GLU A 824 6.846 9.354 -18.353 1.00 4.34 H new ATOM 0 HG3 GLU A 824 7.857 8.174 -19.162 1.00 4.34 H new ATOM 710 N ILE A 825 8.997 10.190 -18.154 1.00 10.20 N ATOM 711 CA ILE A 825 9.020 11.564 -18.628 1.00 63.53 C ATOM 712 C ILE A 825 8.729 11.585 -20.130 1.00 72.21 C ATOM 713 O ILE A 825 9.297 10.800 -20.888 1.00 31.34 O ATOM 714 CB ILE A 825 10.339 12.239 -18.248 1.00 44.22 C ATOM 715 CG1 ILE A 825 10.318 12.703 -16.790 1.00 54.44 C ATOM 716 CG2 ILE A 825 10.666 13.384 -19.209 1.00 72.05 C ATOM 717 CD1 ILE A 825 11.410 13.742 -16.529 1.00 42.14 C ATOM 0 H ILE A 825 9.248 9.493 -18.855 1.00 10.20 H new ATOM 0 HA ILE A 825 8.238 12.148 -18.143 1.00 63.53 H new ATOM 0 HB ILE A 825 11.138 11.503 -18.340 1.00 44.22 H new ATOM 0 HG12 ILE A 825 9.343 13.128 -16.554 1.00 54.44 H new ATOM 0 HG13 ILE A 825 10.460 11.847 -16.130 1.00 54.44 H new ATOM 0 HG21 ILE A 825 11.608 13.847 -18.916 1.00 72.05 H new ATOM 0 HG22 ILE A 825 10.753 12.994 -20.223 1.00 72.05 H new ATOM 0 HG23 ILE A 825 9.870 14.128 -19.173 1.00 72.05 H new ATOM 0 HD11 ILE A 825 11.373 14.055 -15.485 1.00 42.14 H new ATOM 0 HD12 ILE A 825 12.386 13.306 -16.742 1.00 42.14 H new ATOM 0 HD13 ILE A 825 11.251 14.607 -17.173 1.00 42.14 H new ATOM 729 N TYR A 826 7.844 12.492 -20.516 1.00 15.02 N ATOM 730 CA TYR A 826 7.470 12.626 -21.913 1.00 74.05 C ATOM 731 C TYR A 826 6.939 11.303 -22.468 1.00 74.43 C ATOM 732 O TYR A 826 6.861 11.121 -23.682 1.00 54.03 O ATOM 733 CB TYR A 826 8.752 13.000 -22.659 1.00 63.31 C ATOM 734 CG TYR A 826 9.430 14.267 -22.134 1.00 64.23 C ATOM 735 CD1 TYR A 826 8.665 15.313 -21.660 1.00 43.10 C ATOM 736 CD2 TYR A 826 10.807 14.364 -22.135 1.00 60.41 C ATOM 737 CE1 TYR A 826 9.304 16.506 -21.166 1.00 75.40 C ATOM 738 CE2 TYR A 826 11.445 15.556 -21.641 1.00 42.11 C ATOM 739 CZ TYR A 826 10.662 16.568 -21.181 1.00 0.31 C ATOM 740 OH TYR A 826 11.265 17.695 -20.714 1.00 72.43 O ATOM 0 H TYR A 826 7.375 13.142 -19.885 1.00 15.02 H new ATOM 0 HA TYR A 826 6.685 13.373 -22.030 1.00 74.05 H new ATOM 0 HB2 TYR A 826 9.455 12.170 -22.592 1.00 63.31 H new ATOM 0 HB3 TYR A 826 8.519 13.136 -23.715 1.00 63.31 H new ATOM 0 HD1 TYR A 826 7.588 15.237 -21.659 1.00 43.10 H new ATOM 0 HD2 TYR A 826 11.406 13.545 -22.506 1.00 60.41 H new ATOM 0 HE1 TYR A 826 8.718 17.332 -20.792 1.00 75.40 H new ATOM 0 HE2 TYR A 826 12.521 15.645 -21.636 1.00 42.11 H new ATOM 0 HH TYR A 826 12.223 17.527 -20.593 1.00 72.43 H new ATOM 750 N GLY A 827 6.587 10.412 -21.552 1.00 50.32 N ATOM 751 CA GLY A 827 6.065 9.111 -21.935 1.00 4.14 C ATOM 752 C GLY A 827 7.192 8.082 -22.054 1.00 52.50 C ATOM 753 O GLY A 827 7.033 7.057 -22.714 1.00 20.41 O ATOM 0 H GLY A 827 6.653 10.566 -20.546 1.00 50.32 H new ATOM 0 HA2 GLY A 827 5.337 8.775 -21.196 1.00 4.14 H new ATOM 0 HA3 GLY A 827 5.539 9.192 -22.886 1.00 4.14 H new ATOM 757 N ARG A 828 8.305 8.393 -21.405 1.00 74.24 N ATOM 758 CA ARG A 828 9.457 7.508 -21.431 1.00 1.24 C ATOM 759 C ARG A 828 9.710 6.926 -20.039 1.00 33.35 C ATOM 760 O ARG A 828 10.003 7.662 -19.098 1.00 23.32 O ATOM 761 CB ARG A 828 10.710 8.249 -21.901 1.00 1.41 C ATOM 762 CG ARG A 828 10.732 8.378 -23.425 1.00 74.44 C ATOM 763 CD ARG A 828 11.599 7.286 -24.055 1.00 62.12 C ATOM 764 NE ARG A 828 12.002 7.685 -25.422 1.00 55.03 N ATOM 765 CZ ARG A 828 12.923 8.633 -25.694 1.00 1.54 C ATOM 766 NH1 ARG A 828 13.547 9.289 -24.692 1.00 14.42 N ATOM 767 NH2 ARG A 828 13.205 8.910 -26.953 1.00 43.10 N ATOM 0 H ARG A 828 8.433 9.245 -20.859 1.00 74.24 H new ATOM 0 HA ARG A 828 9.240 6.702 -22.132 1.00 1.24 H new ATOM 0 HB2 ARG A 828 10.742 9.240 -21.448 1.00 1.41 H new ATOM 0 HB3 ARG A 828 11.599 7.716 -21.565 1.00 1.41 H new ATOM 0 HG2 ARG A 828 9.716 8.310 -23.814 1.00 74.44 H new ATOM 0 HG3 ARG A 828 11.116 9.359 -23.705 1.00 74.44 H new ATOM 0 HD2 ARG A 828 12.484 7.114 -23.442 1.00 62.12 H new ATOM 0 HD3 ARG A 828 11.047 6.347 -24.089 1.00 62.12 H new ATOM 0 HE ARG A 828 11.555 7.214 -26.208 1.00 55.03 H new ATOM 0 HH11 ARG A 828 13.323 9.069 -23.721 1.00 14.42 H new ATOM 0 HH12 ARG A 828 14.242 10.004 -24.906 1.00 14.42 H new ATOM 0 HH21 ARG A 828 12.729 8.410 -27.704 1.00 43.10 H new ATOM 0 HH22 ARG A 828 13.899 9.624 -27.175 1.00 43.10 H new ATOM 780 N ILE A 829 9.586 5.609 -19.951 1.00 43.54 N ATOM 781 CA ILE A 829 9.798 4.920 -18.690 1.00 74.20 C ATOM 782 C ILE A 829 11.283 4.589 -18.538 1.00 25.55 C ATOM 783 O ILE A 829 11.992 4.428 -19.530 1.00 23.01 O ATOM 784 CB ILE A 829 8.882 3.699 -18.587 1.00 35.30 C ATOM 785 CG1 ILE A 829 7.425 4.081 -18.860 1.00 44.12 C ATOM 786 CG2 ILE A 829 9.047 3.002 -17.235 1.00 61.41 C ATOM 787 CD1 ILE A 829 6.710 4.475 -17.566 1.00 71.24 C ATOM 0 H ILE A 829 9.341 5.002 -20.733 1.00 43.54 H new ATOM 0 HA ILE A 829 9.528 5.564 -17.853 1.00 74.20 H new ATOM 0 HB ILE A 829 9.178 2.985 -19.356 1.00 35.30 H new ATOM 0 HG12 ILE A 829 7.389 4.910 -19.567 1.00 44.12 H new ATOM 0 HG13 ILE A 829 6.907 3.243 -19.325 1.00 44.12 H new ATOM 0 HG21 ILE A 829 8.385 2.138 -17.188 1.00 61.41 H new ATOM 0 HG22 ILE A 829 10.080 2.674 -17.118 1.00 61.41 H new ATOM 0 HG23 ILE A 829 8.794 3.697 -16.434 1.00 61.41 H new ATOM 0 HD11 ILE A 829 5.677 4.742 -17.788 1.00 71.24 H new ATOM 0 HD12 ILE A 829 6.727 3.636 -16.871 1.00 71.24 H new ATOM 0 HD13 ILE A 829 7.217 5.329 -17.116 1.00 71.24 H new ATOM 799 N GLY A 830 11.711 4.496 -17.287 1.00 1.10 N ATOM 800 CA GLY A 830 13.100 4.187 -16.992 1.00 32.22 C ATOM 801 C GLY A 830 13.352 4.186 -15.483 1.00 25.43 C ATOM 802 O GLY A 830 12.412 4.130 -14.692 1.00 53.53 O ATOM 0 H GLY A 830 11.120 4.629 -16.466 1.00 1.10 H new ATOM 0 HA2 GLY A 830 13.356 3.212 -17.408 1.00 32.22 H new ATOM 0 HA3 GLY A 830 13.749 4.919 -17.472 1.00 32.22 H new ATOM 806 N TRP A 831 14.628 4.247 -15.128 1.00 73.15 N ATOM 807 CA TRP A 831 15.016 4.254 -13.728 1.00 70.53 C ATOM 808 C TRP A 831 15.980 5.422 -13.510 1.00 71.45 C ATOM 809 O TRP A 831 16.495 5.993 -14.470 1.00 51.31 O ATOM 810 CB TRP A 831 15.609 2.904 -13.317 1.00 41.45 C ATOM 811 CG TRP A 831 14.644 1.727 -13.471 1.00 53.52 C ATOM 812 CD1 TRP A 831 14.288 1.094 -14.597 1.00 54.12 C ATOM 813 CD2 TRP A 831 13.921 1.064 -12.413 1.00 12.54 C ATOM 814 NE1 TRP A 831 13.392 0.076 -14.343 1.00 34.31 N ATOM 815 CE2 TRP A 831 13.162 0.057 -12.972 1.00 53.11 C ATOM 816 CE3 TRP A 831 13.909 1.308 -11.028 1.00 31.11 C ATOM 817 CZ2 TRP A 831 12.335 -0.787 -12.221 1.00 53.03 C ATOM 818 CZ3 TRP A 831 13.077 0.456 -10.291 1.00 63.34 C ATOM 819 CH2 TRP A 831 12.307 -0.563 -10.840 1.00 12.14 C ATOM 0 H TRP A 831 15.406 4.292 -15.786 1.00 73.15 H new ATOM 0 HA TRP A 831 14.146 4.397 -13.087 1.00 70.53 H new ATOM 0 HB2 TRP A 831 16.499 2.712 -13.917 1.00 41.45 H new ATOM 0 HB3 TRP A 831 15.932 2.962 -12.278 1.00 41.45 H new ATOM 0 HD1 TRP A 831 14.656 1.349 -15.580 1.00 54.12 H new ATOM 0 HE1 TRP A 831 12.975 -0.548 -15.034 1.00 34.31 H new ATOM 0 HE3 TRP A 831 14.495 2.091 -10.569 1.00 31.11 H new ATOM 0 HZ2 TRP A 831 11.750 -1.569 -12.683 1.00 53.03 H new ATOM 0 HZ3 TRP A 831 13.030 0.601 -9.222 1.00 63.34 H new ATOM 0 HH2 TRP A 831 11.690 -1.179 -10.203 1.00 12.14 H new ATOM 830 N PHE A 832 16.195 5.741 -12.243 1.00 13.32 N ATOM 831 CA PHE A 832 17.088 6.831 -11.887 1.00 34.03 C ATOM 832 C PHE A 832 17.282 6.907 -10.371 1.00 44.30 C ATOM 833 O PHE A 832 16.419 6.477 -9.608 1.00 72.02 O ATOM 834 CB PHE A 832 16.429 8.125 -12.370 1.00 64.32 C ATOM 835 CG PHE A 832 15.062 8.400 -11.741 1.00 4.44 C ATOM 836 CD1 PHE A 832 13.962 7.739 -12.188 1.00 73.24 C ATOM 837 CD2 PHE A 832 14.948 9.307 -10.733 1.00 60.13 C ATOM 838 CE1 PHE A 832 12.693 7.995 -11.604 1.00 61.31 C ATOM 839 CE2 PHE A 832 13.679 9.563 -10.149 1.00 63.21 C ATOM 840 CZ PHE A 832 12.579 8.901 -10.597 1.00 14.31 C ATOM 0 H PHE A 832 15.766 5.264 -11.450 1.00 13.32 H new ATOM 0 HA PHE A 832 18.065 6.676 -12.345 1.00 34.03 H new ATOM 0 HB2 PHE A 832 17.093 8.962 -12.152 1.00 64.32 H new ATOM 0 HB3 PHE A 832 16.317 8.081 -13.453 1.00 64.32 H new ATOM 0 HD1 PHE A 832 14.053 7.019 -12.988 1.00 73.24 H new ATOM 0 HD2 PHE A 832 15.822 9.832 -10.377 1.00 60.13 H new ATOM 0 HE1 PHE A 832 11.819 7.470 -11.960 1.00 61.31 H new ATOM 0 HE2 PHE A 832 13.588 10.283 -9.349 1.00 63.21 H new ATOM 0 HZ PHE A 832 11.614 9.095 -10.152 1.00 14.31 H new ATOM 850 N PRO A 833 18.452 7.473 -9.970 1.00 23.34 N ATOM 851 CA PRO A 833 18.771 7.611 -8.559 1.00 25.11 C ATOM 852 C PRO A 833 17.965 8.745 -7.923 1.00 21.02 C ATOM 853 O PRO A 833 17.659 9.738 -8.580 1.00 52.34 O ATOM 854 CB PRO A 833 20.272 7.852 -8.517 1.00 15.42 C ATOM 855 CG PRO A 833 20.661 8.303 -9.916 1.00 33.55 C ATOM 856 CD PRO A 833 19.498 7.993 -10.845 1.00 5.41 C ATOM 0 HA PRO A 833 18.507 6.727 -7.979 1.00 25.11 H new ATOM 0 HB2 PRO A 833 20.525 8.612 -7.777 1.00 15.42 H new ATOM 0 HB3 PRO A 833 20.806 6.944 -8.237 1.00 15.42 H new ATOM 0 HG2 PRO A 833 20.883 9.370 -9.925 1.00 33.55 H new ATOM 0 HG3 PRO A 833 21.562 7.787 -10.247 1.00 33.55 H new ATOM 0 HD2 PRO A 833 19.164 8.886 -11.373 1.00 5.41 H new ATOM 0 HD3 PRO A 833 19.780 7.262 -11.602 1.00 5.41 H new ATOM 864 N SER A 834 17.644 8.559 -6.651 1.00 24.11 N ATOM 865 CA SER A 834 16.880 9.554 -5.919 1.00 13.04 C ATOM 866 C SER A 834 17.808 10.661 -5.416 1.00 0.44 C ATOM 867 O SER A 834 17.371 11.572 -4.714 1.00 54.11 O ATOM 868 CB SER A 834 16.128 8.919 -4.747 1.00 62.41 C ATOM 869 OG SER A 834 16.977 8.701 -3.623 1.00 62.14 O ATOM 0 H SER A 834 17.899 7.734 -6.109 1.00 24.11 H new ATOM 0 HA SER A 834 16.144 9.986 -6.597 1.00 13.04 H new ATOM 0 HB2 SER A 834 15.299 9.564 -4.456 1.00 62.41 H new ATOM 0 HB3 SER A 834 15.696 7.970 -5.065 1.00 62.41 H new ATOM 0 HG SER A 834 16.460 8.296 -2.896 1.00 62.14 H new ATOM 875 N ASN A 835 19.073 10.547 -5.794 1.00 74.40 N ATOM 876 CA ASN A 835 20.066 11.527 -5.390 1.00 64.32 C ATOM 877 C ASN A 835 20.315 12.500 -6.545 1.00 23.45 C ATOM 878 O ASN A 835 21.036 13.484 -6.387 1.00 61.20 O ATOM 879 CB ASN A 835 21.396 10.853 -5.045 1.00 32.21 C ATOM 880 CG ASN A 835 21.281 10.044 -3.751 1.00 72.35 C ATOM 881 OD1 ASN A 835 21.223 10.579 -2.657 1.00 3.32 O ATOM 882 ND2 ASN A 835 21.251 8.727 -3.938 1.00 14.22 N ATOM 0 H ASN A 835 19.433 9.790 -6.376 1.00 74.40 H new ATOM 0 HA ASN A 835 19.687 12.049 -4.511 1.00 64.32 H new ATOM 0 HB2 ASN A 835 21.699 10.198 -5.862 1.00 32.21 H new ATOM 0 HB3 ASN A 835 22.174 11.609 -4.938 1.00 32.21 H new ATOM 0 HD21 ASN A 835 21.175 8.100 -3.137 1.00 14.22 H new ATOM 0 HD22 ASN A 835 21.304 8.345 -4.882 1.00 14.22 H new ATOM 889 N TYR A 836 19.705 12.190 -7.679 1.00 11.30 N ATOM 890 CA TYR A 836 19.851 13.025 -8.859 1.00 42.03 C ATOM 891 C TYR A 836 18.560 13.792 -9.152 1.00 71.21 C ATOM 892 O TYR A 836 18.525 14.637 -10.045 1.00 75.01 O ATOM 893 CB TYR A 836 20.137 12.069 -10.019 1.00 74.01 C ATOM 894 CG TYR A 836 21.622 11.768 -10.226 1.00 22.41 C ATOM 895 CD1 TYR A 836 22.375 11.260 -9.186 1.00 74.23 C ATOM 896 CD2 TYR A 836 22.210 12.003 -11.452 1.00 42.41 C ATOM 897 CE1 TYR A 836 23.773 10.976 -9.381 1.00 11.22 C ATOM 898 CE2 TYR A 836 23.608 11.720 -11.647 1.00 25.23 C ATOM 899 CZ TYR A 836 24.321 11.220 -10.601 1.00 52.25 C ATOM 900 OH TYR A 836 25.641 10.952 -10.785 1.00 44.32 O ATOM 0 H TYR A 836 19.109 11.372 -7.806 1.00 11.30 H new ATOM 0 HA TYR A 836 20.645 13.757 -8.715 1.00 42.03 H new ATOM 0 HB2 TYR A 836 19.608 11.132 -9.843 1.00 74.01 H new ATOM 0 HB3 TYR A 836 19.732 12.496 -10.936 1.00 74.01 H new ATOM 0 HD1 TYR A 836 21.915 11.076 -8.226 1.00 74.23 H new ATOM 0 HD2 TYR A 836 21.621 12.400 -12.266 1.00 42.41 H new ATOM 0 HE1 TYR A 836 24.373 10.578 -8.576 1.00 11.22 H new ATOM 0 HE2 TYR A 836 24.080 11.900 -12.601 1.00 25.23 H new ATOM 0 HH TYR A 836 25.895 11.174 -11.705 1.00 44.32 H new ATOM 910 N VAL A 837 17.531 13.469 -8.383 1.00 15.42 N ATOM 911 CA VAL A 837 16.241 14.117 -8.548 1.00 55.45 C ATOM 912 C VAL A 837 15.827 14.767 -7.226 1.00 64.12 C ATOM 913 O VAL A 837 16.525 14.635 -6.221 1.00 55.34 O ATOM 914 CB VAL A 837 15.212 13.110 -9.067 1.00 11.40 C ATOM 915 CG1 VAL A 837 15.515 12.712 -10.513 1.00 23.24 C ATOM 916 CG2 VAL A 837 15.145 11.879 -8.161 1.00 41.21 C ATOM 0 H VAL A 837 17.564 12.767 -7.644 1.00 15.42 H new ATOM 0 HA VAL A 837 16.305 14.910 -9.293 1.00 55.45 H new ATOM 0 HB VAL A 837 14.234 13.591 -9.051 1.00 11.40 H new ATOM 0 HG11 VAL A 837 14.769 11.996 -10.857 1.00 23.24 H new ATOM 0 HG12 VAL A 837 15.488 13.598 -11.148 1.00 23.24 H new ATOM 0 HG13 VAL A 837 16.505 12.258 -10.566 1.00 23.24 H new ATOM 0 HG21 VAL A 837 14.406 11.179 -8.552 1.00 41.21 H new ATOM 0 HG22 VAL A 837 16.122 11.396 -8.130 1.00 41.21 H new ATOM 0 HG23 VAL A 837 14.859 12.183 -7.154 1.00 41.21 H new ATOM 926 N GLU A 838 14.695 15.454 -7.269 1.00 64.15 N ATOM 927 CA GLU A 838 14.181 16.124 -6.087 1.00 41.23 C ATOM 928 C GLU A 838 12.907 15.433 -5.597 1.00 24.20 C ATOM 929 O GLU A 838 12.448 14.467 -6.205 1.00 31.05 O ATOM 930 CB GLU A 838 13.928 17.607 -6.365 1.00 13.34 C ATOM 931 CG GLU A 838 15.191 18.435 -6.118 1.00 32.21 C ATOM 932 CD GLU A 838 14.837 19.862 -5.694 1.00 62.11 C ATOM 933 OE1 GLU A 838 14.977 20.210 -4.512 1.00 41.33 O ATOM 934 OE2 GLU A 838 14.404 20.621 -6.643 1.00 62.10 O ATOM 0 H GLU A 838 14.119 15.561 -8.104 1.00 64.15 H new ATOM 0 HA GLU A 838 14.932 16.058 -5.300 1.00 41.23 H new ATOM 0 HB2 GLU A 838 13.600 17.736 -7.396 1.00 13.34 H new ATOM 0 HB3 GLU A 838 13.122 17.968 -5.726 1.00 13.34 H new ATOM 0 HG2 GLU A 838 15.795 17.961 -5.344 1.00 32.21 H new ATOM 0 HG3 GLU A 838 15.796 18.461 -7.024 1.00 32.21 H new ATOM 942 N GLU A 839 12.373 15.954 -4.502 1.00 50.25 N ATOM 943 CA GLU A 839 11.161 15.399 -3.924 1.00 3.14 C ATOM 944 C GLU A 839 10.379 16.487 -3.185 1.00 51.25 C ATOM 945 O GLU A 839 10.946 17.230 -2.385 1.00 72.14 O ATOM 946 CB GLU A 839 11.485 14.229 -2.992 1.00 53.14 C ATOM 947 CG GLU A 839 12.082 13.056 -3.773 1.00 15.03 C ATOM 948 CD GLU A 839 13.601 13.194 -3.894 1.00 15.24 C ATOM 949 OE1 GLU A 839 14.176 12.826 -4.928 1.00 61.14 O ATOM 950 OE2 GLU A 839 14.185 13.706 -2.864 1.00 41.30 O ATOM 0 H GLU A 839 12.757 16.754 -4.000 1.00 50.25 H new ATOM 0 HA GLU A 839 10.538 15.016 -4.732 1.00 3.14 H new ATOM 0 HB2 GLU A 839 12.187 14.554 -2.224 1.00 53.14 H new ATOM 0 HB3 GLU A 839 10.579 13.906 -2.479 1.00 53.14 H new ATOM 0 HG2 GLU A 839 11.837 12.119 -3.273 1.00 15.03 H new ATOM 0 HG3 GLU A 839 11.637 13.012 -4.767 1.00 15.03 H new ATOM 958 N ASP A 840 9.089 16.547 -3.480 1.00 73.15 N ATOM 959 CA ASP A 840 8.223 17.532 -2.855 1.00 33.22 C ATOM 960 C ASP A 840 8.958 18.871 -2.772 1.00 15.32 C ATOM 961 O ASP A 840 8.708 19.665 -1.866 1.00 3.01 O ATOM 962 CB ASP A 840 7.846 17.110 -1.433 1.00 44.31 C ATOM 963 CG ASP A 840 6.915 18.076 -0.698 1.00 35.54 C ATOM 964 OD1 ASP A 840 6.220 18.892 -1.321 1.00 34.22 O ATOM 965 OD2 ASP A 840 6.919 17.965 0.588 1.00 61.24 O ATOM 0 H ASP A 840 8.622 15.929 -4.144 1.00 73.15 H new ATOM 0 HA ASP A 840 7.319 17.617 -3.458 1.00 33.22 H new ATOM 0 HB2 ASP A 840 7.369 16.131 -1.475 1.00 44.31 H new ATOM 0 HB3 ASP A 840 8.760 16.995 -0.850 1.00 44.31 H new ATOM 971 N TYR A 841 9.849 19.081 -3.730 1.00 15.34 N ATOM 972 CA TYR A 841 10.621 20.311 -3.776 1.00 63.03 C ATOM 973 C TYR A 841 9.709 21.536 -3.687 1.00 33.25 C ATOM 974 O TYR A 841 10.058 22.530 -3.052 1.00 24.32 O ATOM 975 CB TYR A 841 11.327 20.314 -5.134 1.00 1.13 C ATOM 976 CG TYR A 841 10.443 19.857 -6.296 1.00 0.32 C ATOM 977 CD1 TYR A 841 9.607 20.759 -6.923 1.00 44.02 C ATOM 978 CD2 TYR A 841 10.481 18.544 -6.717 1.00 21.42 C ATOM 979 CE1 TYR A 841 8.775 20.329 -8.017 1.00 3.11 C ATOM 980 CE2 TYR A 841 9.649 18.114 -7.811 1.00 20.44 C ATOM 981 CZ TYR A 841 8.837 19.028 -8.407 1.00 22.43 C ATOM 982 OH TYR A 841 8.051 18.622 -9.440 1.00 23.53 O ATOM 0 H TYR A 841 10.053 18.420 -4.480 1.00 15.34 H new ATOM 0 HA TYR A 841 11.319 20.357 -2.940 1.00 63.03 H new ATOM 0 HB2 TYR A 841 11.690 21.321 -5.341 1.00 1.13 H new ATOM 0 HB3 TYR A 841 12.201 19.665 -5.079 1.00 1.13 H new ATOM 0 HD1 TYR A 841 9.577 21.787 -6.593 1.00 44.02 H new ATOM 0 HD2 TYR A 841 11.135 17.838 -6.226 1.00 21.42 H new ATOM 0 HE1 TYR A 841 8.117 21.024 -8.516 1.00 3.11 H new ATOM 0 HE2 TYR A 841 9.669 17.089 -8.151 1.00 20.44 H new ATOM 0 HH TYR A 841 7.522 17.845 -9.163 1.00 23.53 H new