USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=11 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 Single : A 786 THR OG1 : 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 43:sc= -0.071 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+ -118:sc= 0 (180deg=-0.438) USER MOD Single : A 810 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 813 ASN : amide:sc= -0.152 K(o=-0.15,f=-2.9!) USER MOD Single : A 814 LYS NZ :NH3+ 154:sc= -6.6! (180deg=-8.54!) USER MOD Single : A 826 TYR OH : rot 136:sc= 1.04 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 Single : A 841 TYR OH : rot 30:sc= -0.639 USER MOD ----------------------------------------------------------------- ATOM 63 N GLY A 785 4.448 11.150 -6.493 1.00 51.31 N ATOM 64 CA GLY A 785 4.091 12.370 -7.197 1.00 40.40 C ATOM 65 C GLY A 785 5.029 12.614 -8.381 1.00 54.33 C ATOM 66 O GLY A 785 4.855 12.025 -9.447 1.00 14.20 O ATOM 0 HA2 GLY A 785 3.062 12.302 -7.551 1.00 40.40 H new ATOM 0 HA3 GLY A 785 4.137 13.216 -6.512 1.00 40.40 H new ATOM 70 N THR A 786 6.002 13.484 -8.155 1.00 22.12 N ATOM 71 CA THR A 786 6.967 13.813 -9.190 1.00 4.02 C ATOM 72 C THR A 786 8.328 14.134 -8.568 1.00 31.42 C ATOM 73 O THR A 786 8.429 14.342 -7.360 1.00 34.03 O ATOM 74 CB THR A 786 6.394 14.961 -10.023 1.00 4.43 C ATOM 75 OG1 THR A 786 5.769 15.808 -9.062 1.00 43.55 O ATOM 76 CG2 THR A 786 5.245 14.512 -10.927 1.00 61.03 C ATOM 0 H THR A 786 6.143 13.971 -7.270 1.00 22.12 H new ATOM 0 HA THR A 786 7.140 12.965 -9.853 1.00 4.02 H new ATOM 0 HB THR A 786 7.185 15.398 -10.632 1.00 4.43 H new ATOM 0 HG1 THR A 786 5.372 16.580 -9.516 1.00 43.55 H new ATOM 0 HG21 THR A 786 4.875 15.365 -11.496 1.00 61.03 H new ATOM 0 HG22 THR A 786 5.601 13.744 -11.614 1.00 61.03 H new ATOM 0 HG23 THR A 786 4.439 14.106 -10.316 1.00 61.03 H new ATOM 84 N ALA A 787 9.341 14.163 -9.421 1.00 72.13 N ATOM 85 CA ALA A 787 10.691 14.455 -8.971 1.00 21.55 C ATOM 86 C ALA A 787 11.423 15.254 -10.050 1.00 40.23 C ATOM 87 O ALA A 787 11.569 14.790 -11.180 1.00 24.53 O ATOM 88 CB ALA A 787 11.408 13.147 -8.626 1.00 40.53 C ATOM 0 H ALA A 787 9.254 13.989 -10.422 1.00 72.13 H new ATOM 0 HA ALA A 787 10.671 15.064 -8.067 1.00 21.55 H new ATOM 0 HB1 ALA A 787 12.421 13.366 -8.288 1.00 40.53 H new ATOM 0 HB2 ALA A 787 10.865 12.632 -7.834 1.00 40.53 H new ATOM 0 HB3 ALA A 787 11.450 12.511 -9.510 1.00 40.53 H new ATOM 94 N LYS A 788 11.863 16.443 -9.665 1.00 23.21 N ATOM 95 CA LYS A 788 12.576 17.311 -10.586 1.00 4.50 C ATOM 96 C LYS A 788 14.001 16.786 -10.776 1.00 11.51 C ATOM 97 O LYS A 788 14.522 16.071 -9.922 1.00 33.04 O ATOM 98 CB LYS A 788 12.515 18.764 -10.109 1.00 73.01 C ATOM 99 CG LYS A 788 11.407 19.532 -10.832 1.00 75.15 C ATOM 100 CD LYS A 788 11.329 20.978 -10.338 1.00 70.23 C ATOM 101 CE LYS A 788 12.146 21.909 -11.236 1.00 61.35 C ATOM 102 NZ LYS A 788 12.051 23.306 -10.758 1.00 33.02 N ATOM 0 H LYS A 788 11.739 16.825 -8.728 1.00 23.21 H new ATOM 0 HA LYS A 788 12.099 17.301 -11.566 1.00 4.50 H new ATOM 0 HB2 LYS A 788 12.339 18.790 -9.034 1.00 73.01 H new ATOM 0 HB3 LYS A 788 13.475 19.250 -10.287 1.00 73.01 H new ATOM 0 HG2 LYS A 788 11.593 19.521 -11.906 1.00 75.15 H new ATOM 0 HG3 LYS A 788 10.450 19.036 -10.669 1.00 75.15 H new ATOM 0 HD2 LYS A 788 10.289 21.304 -10.320 1.00 70.23 H new ATOM 0 HD3 LYS A 788 11.699 21.037 -9.314 1.00 70.23 H new ATOM 0 HE2 LYS A 788 13.189 21.592 -11.245 1.00 61.35 H new ATOM 0 HE3 LYS A 788 11.784 21.844 -12.262 1.00 61.35 H new ATOM 0 HZ1 LYS A 788 12.611 23.924 -11.379 1.00 33.02 H new ATOM 0 HZ2 LYS A 788 11.057 23.611 -10.772 1.00 33.02 H new ATOM 0 HZ3 LYS A 788 12.418 23.366 -9.787 1.00 33.02 H new ATOM 115 N ALA A 789 14.591 17.162 -11.901 1.00 52.32 N ATOM 116 CA ALA A 789 15.945 16.738 -12.214 1.00 51.41 C ATOM 117 C ALA A 789 16.929 17.822 -11.771 1.00 44.50 C ATOM 118 O ALA A 789 16.786 18.986 -12.144 1.00 65.21 O ATOM 119 CB ALA A 789 16.051 16.430 -13.709 1.00 51.30 C ATOM 0 H ALA A 789 14.156 17.756 -12.607 1.00 52.32 H new ATOM 0 HA ALA A 789 16.196 15.825 -11.675 1.00 51.41 H new ATOM 0 HB1 ALA A 789 17.067 16.112 -13.944 1.00 51.30 H new ATOM 0 HB2 ALA A 789 15.353 15.634 -13.967 1.00 51.30 H new ATOM 0 HB3 ALA A 789 15.809 17.325 -14.283 1.00 51.30 H new ATOM 125 N ARG A 790 17.907 17.402 -10.981 1.00 53.42 N ATOM 126 CA ARG A 790 18.915 18.323 -10.483 1.00 54.03 C ATOM 127 C ARG A 790 20.235 18.118 -11.228 1.00 41.13 C ATOM 128 O ARG A 790 21.235 18.764 -10.916 1.00 75.35 O ATOM 129 CB ARG A 790 19.147 18.127 -8.984 1.00 21.41 C ATOM 130 CG ARG A 790 18.030 18.778 -8.166 1.00 4.41 C ATOM 131 CD ARG A 790 18.148 20.304 -8.195 1.00 72.42 C ATOM 132 NE ARG A 790 19.364 20.732 -7.468 1.00 73.33 N ATOM 133 CZ ARG A 790 20.574 20.892 -8.045 1.00 73.44 C ATOM 134 NH1 ARG A 790 20.739 20.660 -9.365 1.00 24.31 N ATOM 135 NH2 ARG A 790 21.592 21.278 -7.300 1.00 22.00 N ATOM 0 H ARG A 790 18.023 16.436 -10.674 1.00 53.42 H new ATOM 0 HA ARG A 790 18.552 19.336 -10.653 1.00 54.03 H new ATOM 0 HB2 ARG A 790 19.196 17.062 -8.756 1.00 21.41 H new ATOM 0 HB3 ARG A 790 20.108 18.558 -8.702 1.00 21.41 H new ATOM 0 HG2 ARG A 790 17.061 18.477 -8.563 1.00 4.41 H new ATOM 0 HG3 ARG A 790 18.076 18.425 -7.136 1.00 4.41 H new ATOM 0 HD2 ARG A 790 18.189 20.654 -9.226 1.00 72.42 H new ATOM 0 HD3 ARG A 790 17.265 20.754 -7.740 1.00 72.42 H new ATOM 0 HE ARG A 790 19.283 20.918 -6.468 1.00 73.33 H new ATOM 0 HH11 ARG A 790 19.946 20.362 -9.933 1.00 24.31 H new ATOM 0 HH12 ARG A 790 21.656 20.783 -9.794 1.00 24.31 H new ATOM 0 HH21 ARG A 790 21.458 21.451 -6.304 1.00 22.00 H new ATOM 0 HH22 ARG A 790 22.513 21.404 -7.720 1.00 22.00 H new ATOM 148 N TYR A 791 20.197 17.217 -12.199 1.00 35.23 N ATOM 149 CA TYR A 791 21.378 16.919 -12.991 1.00 33.23 C ATOM 150 C TYR A 791 20.992 16.406 -14.380 1.00 13.04 C ATOM 151 O TYR A 791 20.164 15.504 -14.505 1.00 4.45 O ATOM 152 CB TYR A 791 22.121 15.812 -12.240 1.00 34.12 C ATOM 153 CG TYR A 791 22.468 16.167 -10.793 1.00 32.43 C ATOM 154 CD1 TYR A 791 21.514 16.040 -9.803 1.00 63.51 C ATOM 155 CD2 TYR A 791 23.735 16.614 -10.477 1.00 31.33 C ATOM 156 CE1 TYR A 791 21.841 16.373 -8.441 1.00 42.41 C ATOM 157 CE2 TYR A 791 24.062 16.948 -9.115 1.00 33.54 C ATOM 158 CZ TYR A 791 23.099 16.811 -8.164 1.00 73.00 C ATOM 159 OH TYR A 791 23.407 17.126 -6.878 1.00 5.34 O ATOM 0 H TYR A 791 19.366 16.683 -12.455 1.00 35.23 H new ATOM 0 HA TYR A 791 21.986 17.814 -13.125 1.00 33.23 H new ATOM 0 HB2 TYR A 791 21.509 14.910 -12.245 1.00 34.12 H new ATOM 0 HB3 TYR A 791 23.040 15.577 -12.776 1.00 34.12 H new ATOM 0 HD1 TYR A 791 20.522 15.691 -10.050 1.00 63.51 H new ATOM 0 HD2 TYR A 791 24.481 16.713 -11.251 1.00 31.33 H new ATOM 0 HE1 TYR A 791 21.104 16.277 -7.657 1.00 42.41 H new ATOM 0 HE2 TYR A 791 25.049 17.299 -8.854 1.00 33.54 H new ATOM 0 HH TYR A 791 24.340 17.423 -6.828 1.00 5.34 H new ATOM 169 N ASP A 792 21.609 17.003 -15.388 1.00 62.14 N ATOM 170 CA ASP A 792 21.341 16.618 -16.764 1.00 34.14 C ATOM 171 C ASP A 792 21.864 15.200 -17.003 1.00 40.43 C ATOM 172 O ASP A 792 23.049 15.010 -17.275 1.00 35.24 O ATOM 173 CB ASP A 792 22.046 17.555 -17.746 1.00 24.13 C ATOM 174 CG ASP A 792 23.572 17.583 -17.630 1.00 13.32 C ATOM 175 OD1 ASP A 792 24.128 17.606 -16.522 1.00 13.24 O ATOM 176 OD2 ASP A 792 24.204 17.581 -18.754 1.00 40.32 O ATOM 0 H ASP A 792 22.294 17.751 -15.280 1.00 62.14 H new ATOM 0 HA ASP A 792 20.264 16.672 -16.926 1.00 34.14 H new ATOM 0 HB2 ASP A 792 21.779 17.261 -18.761 1.00 24.13 H new ATOM 0 HB3 ASP A 792 21.667 18.566 -17.597 1.00 24.13 H new ATOM 182 N PHE A 793 20.956 14.242 -16.894 1.00 55.23 N ATOM 183 CA PHE A 793 21.311 12.848 -17.096 1.00 33.32 C ATOM 184 C PHE A 793 21.276 12.482 -18.581 1.00 43.22 C ATOM 185 O PHE A 793 20.908 13.305 -19.418 1.00 63.02 O ATOM 186 CB PHE A 793 20.270 12.009 -16.352 1.00 75.01 C ATOM 187 CG PHE A 793 20.804 10.674 -15.830 1.00 32.22 C ATOM 188 CD1 PHE A 793 22.028 10.615 -15.239 1.00 55.24 C ATOM 189 CD2 PHE A 793 20.055 9.546 -15.956 1.00 32.52 C ATOM 190 CE1 PHE A 793 22.523 9.376 -14.755 1.00 24.04 C ATOM 191 CE2 PHE A 793 20.551 8.306 -15.471 1.00 14.40 C ATOM 192 CZ PHE A 793 21.774 8.248 -14.881 1.00 24.24 C ATOM 0 H PHE A 793 19.975 14.404 -16.668 1.00 55.23 H new ATOM 0 HA PHE A 793 22.321 12.665 -16.728 1.00 33.32 H new ATOM 0 HB2 PHE A 793 19.885 12.588 -15.512 1.00 75.01 H new ATOM 0 HB3 PHE A 793 19.430 11.817 -17.019 1.00 75.01 H new ATOM 0 HD1 PHE A 793 22.623 11.511 -15.138 1.00 55.24 H new ATOM 0 HD2 PHE A 793 19.083 9.593 -16.425 1.00 32.52 H new ATOM 0 HE1 PHE A 793 23.495 9.329 -14.286 1.00 24.04 H new ATOM 0 HE2 PHE A 793 19.956 7.410 -15.571 1.00 14.40 H new ATOM 0 HZ PHE A 793 22.151 7.306 -14.512 1.00 24.24 H new ATOM 202 N CYS A 794 21.665 11.247 -18.863 1.00 54.20 N ATOM 203 CA CYS A 794 21.683 10.763 -20.233 1.00 32.32 C ATOM 204 C CYS A 794 21.482 9.246 -20.209 1.00 10.24 C ATOM 205 O CYS A 794 22.394 8.501 -19.854 1.00 1.35 O ATOM 206 CB CYS A 794 22.973 11.156 -20.955 1.00 1.11 C ATOM 207 SG CYS A 794 24.418 10.818 -19.884 1.00 13.14 S ATOM 0 H CYS A 794 21.970 10.567 -18.166 1.00 54.20 H new ATOM 0 HA CYS A 794 20.873 11.227 -20.796 1.00 32.32 H new ATOM 0 HB2 CYS A 794 23.062 10.598 -21.887 1.00 1.11 H new ATOM 0 HB3 CYS A 794 22.944 12.213 -21.218 1.00 1.11 H new ATOM 0 HG CYS A 794 24.271 9.661 -19.309 1.00 13.14 H new ATOM 213 N ALA A 795 20.282 8.834 -20.591 1.00 3.01 N ATOM 214 CA ALA A 795 19.950 7.420 -20.617 1.00 61.35 C ATOM 215 C ALA A 795 20.739 6.736 -21.736 1.00 23.13 C ATOM 216 O ALA A 795 20.756 7.213 -22.869 1.00 65.24 O ATOM 217 CB ALA A 795 18.438 7.253 -20.785 1.00 5.22 C ATOM 0 H ALA A 795 19.528 9.455 -20.885 1.00 3.01 H new ATOM 0 HA ALA A 795 20.229 6.943 -19.677 1.00 61.35 H new ATOM 0 HB1 ALA A 795 18.189 6.192 -20.805 1.00 5.22 H new ATOM 0 HB2 ALA A 795 17.924 7.731 -19.951 1.00 5.22 H new ATOM 0 HB3 ALA A 795 18.122 7.717 -21.719 1.00 5.22 H new ATOM 223 N ARG A 796 21.374 5.629 -21.377 1.00 54.24 N ATOM 224 CA ARG A 796 22.163 4.875 -22.336 1.00 73.05 C ATOM 225 C ARG A 796 21.386 3.646 -22.813 1.00 22.20 C ATOM 226 O ARG A 796 21.697 3.078 -23.859 1.00 55.32 O ATOM 227 CB ARG A 796 23.491 4.425 -21.724 1.00 53.03 C ATOM 228 CG ARG A 796 23.263 3.391 -20.620 1.00 31.11 C ATOM 229 CD ARG A 796 24.560 3.106 -19.860 1.00 32.41 C ATOM 230 NE ARG A 796 25.565 2.521 -20.776 1.00 32.03 N ATOM 231 CZ ARG A 796 26.827 2.208 -20.414 1.00 2.32 C ATOM 232 NH1 ARG A 796 27.251 2.422 -19.150 1.00 14.12 N ATOM 233 NH2 ARG A 796 27.642 1.690 -21.314 1.00 54.44 N ATOM 0 H ARG A 796 21.358 5.237 -20.436 1.00 54.24 H new ATOM 0 HA ARG A 796 22.370 5.529 -23.183 1.00 73.05 H new ATOM 0 HB2 ARG A 796 24.128 4.000 -22.500 1.00 53.03 H new ATOM 0 HB3 ARG A 796 24.018 5.287 -21.316 1.00 53.03 H new ATOM 0 HG2 ARG A 796 22.504 3.754 -19.927 1.00 31.11 H new ATOM 0 HG3 ARG A 796 22.882 2.467 -21.055 1.00 31.11 H new ATOM 0 HD2 ARG A 796 24.946 4.028 -19.424 1.00 32.41 H new ATOM 0 HD3 ARG A 796 24.365 2.421 -19.035 1.00 32.41 H new ATOM 0 HE ARG A 796 25.286 2.343 -21.741 1.00 32.03 H new ATOM 0 HH11 ARG A 796 26.616 2.823 -18.460 1.00 14.12 H new ATOM 0 HH12 ARG A 796 28.206 2.182 -18.885 1.00 14.12 H new ATOM 0 HH21 ARG A 796 27.315 1.532 -22.267 1.00 54.44 H new ATOM 0 HH22 ARG A 796 28.599 1.448 -21.056 1.00 54.44 H new ATOM 246 N ASP A 797 20.391 3.271 -22.022 1.00 64.33 N ATOM 247 CA ASP A 797 19.568 2.119 -22.350 1.00 41.23 C ATOM 248 C ASP A 797 18.121 2.398 -21.939 1.00 2.35 C ATOM 249 O ASP A 797 17.838 3.412 -21.302 1.00 32.34 O ATOM 250 CB ASP A 797 20.041 0.872 -21.600 1.00 50.52 C ATOM 251 CG ASP A 797 21.428 0.365 -22.000 1.00 31.33 C ATOM 252 OD1 ASP A 797 22.154 -0.219 -21.182 1.00 4.14 O ATOM 253 OD2 ASP A 797 21.760 0.593 -23.225 1.00 73.43 O ATOM 0 H ASP A 797 20.136 3.744 -21.155 1.00 64.33 H new ATOM 0 HA ASP A 797 19.645 1.944 -23.423 1.00 41.23 H new ATOM 0 HB2 ASP A 797 20.044 1.088 -20.532 1.00 50.52 H new ATOM 0 HB3 ASP A 797 19.318 0.073 -21.762 1.00 50.52 H new ATOM 259 N ARG A 798 17.244 1.481 -22.319 1.00 51.32 N ATOM 260 CA ARG A 798 15.833 1.616 -21.997 1.00 64.05 C ATOM 261 C ARG A 798 15.600 1.345 -20.510 1.00 10.22 C ATOM 262 O ARG A 798 14.519 1.614 -19.988 1.00 52.14 O ATOM 263 CB ARG A 798 14.985 0.648 -22.824 1.00 61.32 C ATOM 264 CG ARG A 798 13.535 1.128 -22.913 1.00 60.33 C ATOM 265 CD ARG A 798 13.436 2.429 -23.712 1.00 3.11 C ATOM 266 NE ARG A 798 12.024 2.704 -24.059 1.00 2.34 N ATOM 267 CZ ARG A 798 11.625 3.711 -24.865 1.00 61.42 C ATOM 268 NH1 ARG A 798 12.530 4.547 -25.416 1.00 2.32 N ATOM 269 NH2 ARG A 798 10.337 3.864 -25.107 1.00 54.32 N ATOM 0 H ARG A 798 17.483 0.641 -22.847 1.00 51.32 H new ATOM 0 HA ARG A 798 15.534 2.637 -22.235 1.00 64.05 H new ATOM 0 HB2 ARG A 798 15.404 0.557 -23.826 1.00 61.32 H new ATOM 0 HB3 ARG A 798 15.016 -0.344 -22.374 1.00 61.32 H new ATOM 0 HG2 ARG A 798 12.922 0.360 -23.385 1.00 60.33 H new ATOM 0 HG3 ARG A 798 13.137 1.282 -21.910 1.00 60.33 H new ATOM 0 HD2 ARG A 798 13.843 3.255 -23.129 1.00 3.11 H new ATOM 0 HD3 ARG A 798 14.034 2.354 -24.620 1.00 3.11 H new ATOM 0 HE ARG A 798 11.307 2.095 -23.665 1.00 2.34 H new ATOM 0 HH11 ARG A 798 13.524 4.421 -25.225 1.00 2.32 H new ATOM 0 HH12 ARG A 798 12.220 5.305 -26.024 1.00 2.32 H new ATOM 0 HH21 ARG A 798 9.660 3.227 -24.687 1.00 54.32 H new ATOM 0 HH22 ARG A 798 10.018 4.620 -25.714 1.00 54.32 H new ATOM 282 N SER A 799 16.632 0.816 -19.868 1.00 54.43 N ATOM 283 CA SER A 799 16.552 0.506 -18.451 1.00 4.31 C ATOM 284 C SER A 799 16.881 1.751 -17.624 1.00 22.11 C ATOM 285 O SER A 799 17.027 1.670 -16.405 1.00 54.12 O ATOM 286 CB SER A 799 17.498 -0.640 -18.084 1.00 55.53 C ATOM 287 OG SER A 799 18.852 -0.340 -18.411 1.00 52.04 O ATOM 0 H SER A 799 17.527 0.594 -20.303 1.00 54.43 H new ATOM 0 HA SER A 799 15.534 0.187 -18.227 1.00 4.31 H new ATOM 0 HB2 SER A 799 17.420 -0.847 -17.017 1.00 55.53 H new ATOM 0 HB3 SER A 799 17.191 -1.545 -18.607 1.00 55.53 H new ATOM 0 HG SER A 799 19.424 -1.095 -18.160 1.00 52.04 H new ATOM 293 N GLU A 800 16.989 2.873 -18.320 1.00 13.22 N ATOM 294 CA GLU A 800 17.298 4.133 -17.665 1.00 54.00 C ATOM 295 C GLU A 800 16.331 5.224 -18.130 1.00 42.15 C ATOM 296 O GLU A 800 15.841 5.184 -19.258 1.00 2.40 O ATOM 297 CB GLU A 800 18.750 4.542 -17.920 1.00 33.22 C ATOM 298 CG GLU A 800 19.262 5.464 -16.812 1.00 41.51 C ATOM 299 CD GLU A 800 19.963 4.664 -15.712 1.00 54.22 C ATOM 300 OE1 GLU A 800 19.750 4.932 -14.520 1.00 65.31 O ATOM 301 OE2 GLU A 800 20.751 3.734 -16.133 1.00 21.12 O ATOM 0 H GLU A 800 16.868 2.936 -19.331 1.00 13.22 H new ATOM 0 HA GLU A 800 17.176 4.001 -16.590 1.00 54.00 H new ATOM 0 HB2 GLU A 800 19.378 3.653 -17.977 1.00 33.22 H new ATOM 0 HB3 GLU A 800 18.826 5.048 -18.883 1.00 33.22 H new ATOM 0 HG2 GLU A 800 19.954 6.194 -17.232 1.00 41.51 H new ATOM 0 HG3 GLU A 800 18.429 6.023 -16.385 1.00 41.51 H new ATOM 309 N LEU A 801 16.086 6.173 -17.239 1.00 31.45 N ATOM 310 CA LEU A 801 15.187 7.272 -17.544 1.00 12.52 C ATOM 311 C LEU A 801 16.003 8.476 -18.020 1.00 23.25 C ATOM 312 O LEU A 801 17.082 8.745 -17.494 1.00 43.30 O ATOM 313 CB LEU A 801 14.285 7.576 -16.345 1.00 63.05 C ATOM 314 CG LEU A 801 12.851 7.995 -16.674 1.00 41.43 C ATOM 315 CD1 LEU A 801 12.078 8.350 -15.402 1.00 62.44 C ATOM 316 CD2 LEU A 801 12.834 9.137 -17.692 1.00 54.44 C ATOM 0 H LEU A 801 16.495 6.203 -16.305 1.00 31.45 H new ATOM 0 HA LEU A 801 14.515 6.999 -18.358 1.00 12.52 H new ATOM 0 HB2 LEU A 801 14.247 6.691 -15.710 1.00 63.05 H new ATOM 0 HB3 LEU A 801 14.749 8.369 -15.759 1.00 63.05 H new ATOM 0 HG LEU A 801 12.344 7.146 -17.133 1.00 41.43 H new ATOM 0 HD11 LEU A 801 11.062 8.644 -15.664 1.00 62.44 H new ATOM 0 HD12 LEU A 801 12.046 7.483 -14.742 1.00 62.44 H new ATOM 0 HD13 LEU A 801 12.575 9.176 -14.893 1.00 62.44 H new ATOM 0 HD21 LEU A 801 11.803 9.416 -17.909 1.00 54.44 H new ATOM 0 HD22 LEU A 801 13.364 9.997 -17.283 1.00 54.44 H new ATOM 0 HD23 LEU A 801 13.323 8.813 -18.611 1.00 54.44 H new ATOM 328 N SER A 802 15.457 9.167 -19.009 1.00 10.31 N ATOM 329 CA SER A 802 16.121 10.336 -19.561 1.00 62.44 C ATOM 330 C SER A 802 15.839 11.560 -18.688 1.00 21.30 C ATOM 331 O SER A 802 14.812 12.217 -18.848 1.00 11.33 O ATOM 332 CB SER A 802 15.672 10.595 -21.001 1.00 12.45 C ATOM 333 OG SER A 802 16.498 9.923 -21.947 1.00 74.23 O ATOM 0 H SER A 802 14.562 8.940 -19.443 1.00 10.31 H new ATOM 0 HA SER A 802 17.194 10.146 -19.572 1.00 62.44 H new ATOM 0 HB2 SER A 802 14.640 10.267 -21.123 1.00 12.45 H new ATOM 0 HB3 SER A 802 15.691 11.667 -21.200 1.00 12.45 H new ATOM 0 HG SER A 802 16.178 10.112 -22.854 1.00 74.23 H new ATOM 339 N LEU A 803 16.769 11.829 -17.784 1.00 23.44 N ATOM 340 CA LEU A 803 16.634 12.962 -16.885 1.00 14.23 C ATOM 341 C LEU A 803 17.243 14.203 -17.540 1.00 40.12 C ATOM 342 O LEU A 803 18.143 14.092 -18.372 1.00 34.13 O ATOM 343 CB LEU A 803 17.231 12.634 -15.515 1.00 10.11 C ATOM 344 CG LEU A 803 16.238 12.185 -14.440 1.00 45.34 C ATOM 345 CD1 LEU A 803 15.144 11.300 -15.040 1.00 40.43 C ATOM 346 CD2 LEU A 803 16.960 11.497 -13.280 1.00 64.23 C ATOM 0 H LEU A 803 17.620 11.281 -17.655 1.00 23.44 H new ATOM 0 HA LEU A 803 15.582 13.181 -16.704 1.00 14.23 H new ATOM 0 HB2 LEU A 803 17.976 11.849 -15.644 1.00 10.11 H new ATOM 0 HB3 LEU A 803 17.757 13.516 -15.150 1.00 10.11 H new ATOM 0 HG LEU A 803 15.749 13.071 -14.035 1.00 45.34 H new ATOM 0 HD11 LEU A 803 14.452 10.995 -14.255 1.00 40.43 H new ATOM 0 HD12 LEU A 803 14.603 11.858 -15.804 1.00 40.43 H new ATOM 0 HD13 LEU A 803 15.597 10.416 -15.489 1.00 40.43 H new ATOM 0 HD21 LEU A 803 16.232 11.188 -12.530 1.00 64.23 H new ATOM 0 HD22 LEU A 803 17.493 10.621 -13.651 1.00 64.23 H new ATOM 0 HD23 LEU A 803 17.671 12.191 -12.831 1.00 64.23 H new ATOM 358 N LYS A 804 16.729 15.357 -17.141 1.00 34.10 N ATOM 359 CA LYS A 804 17.211 16.618 -17.679 1.00 72.52 C ATOM 360 C LYS A 804 16.824 17.754 -16.730 1.00 62.41 C ATOM 361 O LYS A 804 15.641 18.020 -16.525 1.00 1.14 O ATOM 362 CB LYS A 804 16.710 16.815 -19.111 1.00 51.33 C ATOM 363 CG LYS A 804 17.559 17.851 -19.851 1.00 64.43 C ATOM 364 CD LYS A 804 18.716 17.180 -20.595 1.00 4.13 C ATOM 365 CE LYS A 804 19.516 18.204 -21.403 1.00 11.35 C ATOM 366 NZ LYS A 804 20.233 19.131 -20.499 1.00 11.52 N ATOM 0 H LYS A 804 15.983 15.445 -16.451 1.00 34.10 H new ATOM 0 HA LYS A 804 18.299 16.614 -17.744 1.00 72.52 H new ATOM 0 HB2 LYS A 804 16.741 15.865 -19.645 1.00 51.33 H new ATOM 0 HB3 LYS A 804 15.669 17.137 -19.095 1.00 51.33 H new ATOM 0 HG2 LYS A 804 16.936 18.399 -20.558 1.00 64.43 H new ATOM 0 HG3 LYS A 804 17.952 18.579 -19.141 1.00 64.43 H new ATOM 0 HD2 LYS A 804 19.372 16.682 -19.881 1.00 4.13 H new ATOM 0 HD3 LYS A 804 18.327 16.410 -21.261 1.00 4.13 H new ATOM 0 HE2 LYS A 804 20.229 17.690 -22.047 1.00 11.35 H new ATOM 0 HE3 LYS A 804 18.846 18.766 -22.054 1.00 11.35 H new ATOM 0 HZ1 LYS A 804 19.891 20.101 -20.654 1.00 11.52 H new ATOM 0 HZ2 LYS A 804 20.059 18.857 -19.511 1.00 11.52 H new ATOM 0 HZ3 LYS A 804 21.253 19.088 -20.695 1.00 11.52 H new ATOM 379 N GLU A 805 17.844 18.392 -16.177 1.00 5.43 N ATOM 380 CA GLU A 805 17.626 19.494 -15.254 1.00 64.31 C ATOM 381 C GLU A 805 16.471 20.372 -15.739 1.00 63.24 C ATOM 382 O GLU A 805 16.371 20.671 -16.928 1.00 61.34 O ATOM 383 CB GLU A 805 18.903 20.318 -15.072 1.00 74.43 C ATOM 384 CG GLU A 805 19.770 19.745 -13.950 1.00 31.24 C ATOM 385 CD GLU A 805 21.248 20.065 -14.181 1.00 20.21 C ATOM 386 OE1 GLU A 805 21.790 19.750 -15.251 1.00 4.13 O ATOM 387 OE2 GLU A 805 21.836 20.664 -13.201 1.00 61.33 O ATOM 0 H GLU A 805 18.824 18.168 -16.350 1.00 5.43 H new ATOM 0 HA GLU A 805 17.358 19.080 -14.282 1.00 64.31 H new ATOM 0 HB2 GLU A 805 19.469 20.329 -16.004 1.00 74.43 H new ATOM 0 HB3 GLU A 805 18.644 21.352 -14.844 1.00 74.43 H new ATOM 0 HG2 GLU A 805 19.451 20.157 -12.993 1.00 31.24 H new ATOM 0 HG3 GLU A 805 19.632 18.665 -13.895 1.00 31.24 H new ATOM 395 N GLY A 806 15.628 20.761 -14.794 1.00 70.53 N ATOM 396 CA GLY A 806 14.484 21.598 -15.111 1.00 12.53 C ATOM 397 C GLY A 806 13.302 20.754 -15.592 1.00 0.03 C ATOM 398 O GLY A 806 12.287 21.293 -16.030 1.00 41.02 O ATOM 0 H GLY A 806 15.714 20.512 -13.809 1.00 70.53 H new ATOM 0 HA2 GLY A 806 14.192 22.170 -14.230 1.00 12.53 H new ATOM 0 HA3 GLY A 806 14.759 22.318 -15.882 1.00 12.53 H new ATOM 402 N ASP A 807 13.473 19.444 -15.493 1.00 62.14 N ATOM 403 CA ASP A 807 12.433 18.520 -15.913 1.00 65.30 C ATOM 404 C ASP A 807 11.891 17.779 -14.689 1.00 11.30 C ATOM 405 O ASP A 807 12.560 17.700 -13.660 1.00 62.20 O ATOM 406 CB ASP A 807 12.983 17.479 -16.890 1.00 24.41 C ATOM 407 CG ASP A 807 13.572 18.051 -18.181 1.00 74.23 C ATOM 408 OD1 ASP A 807 13.494 17.427 -19.250 1.00 31.41 O ATOM 409 OD2 ASP A 807 14.137 19.204 -18.059 1.00 32.12 O ATOM 0 H ASP A 807 14.316 19.000 -15.128 1.00 62.14 H new ATOM 0 HA ASP A 807 11.648 19.096 -16.403 1.00 65.30 H new ATOM 0 HB2 ASP A 807 13.754 16.898 -16.383 1.00 24.41 H new ATOM 0 HB3 ASP A 807 12.182 16.787 -17.149 1.00 24.41 H new ATOM 415 N ILE A 808 10.683 17.256 -14.841 1.00 3.01 N ATOM 416 CA ILE A 808 10.043 16.525 -13.761 1.00 21.33 C ATOM 417 C ILE A 808 10.015 15.034 -14.106 1.00 4.42 C ATOM 418 O ILE A 808 9.984 14.666 -15.279 1.00 32.32 O ATOM 419 CB ILE A 808 8.663 17.112 -13.460 1.00 53.23 C ATOM 420 CG1 ILE A 808 8.039 17.718 -14.719 1.00 73.33 C ATOM 421 CG2 ILE A 808 8.735 18.122 -12.313 1.00 54.54 C ATOM 422 CD1 ILE A 808 8.687 19.061 -15.061 1.00 62.31 C ATOM 0 H ILE A 808 10.131 17.324 -15.696 1.00 3.01 H new ATOM 0 HA ILE A 808 10.616 16.629 -12.840 1.00 21.33 H new ATOM 0 HB ILE A 808 8.010 16.302 -13.135 1.00 53.23 H new ATOM 0 HG12 ILE A 808 8.158 17.029 -15.556 1.00 73.33 H new ATOM 0 HG13 ILE A 808 6.968 17.855 -14.569 1.00 73.33 H new ATOM 0 HG21 ILE A 808 7.741 18.524 -12.119 1.00 54.54 H new ATOM 0 HG22 ILE A 808 9.108 17.628 -11.416 1.00 54.54 H new ATOM 0 HG23 ILE A 808 9.408 18.935 -12.586 1.00 54.54 H new ATOM 0 HD11 ILE A 808 8.225 19.470 -15.960 1.00 62.31 H new ATOM 0 HD12 ILE A 808 8.545 19.755 -14.232 1.00 62.31 H new ATOM 0 HD13 ILE A 808 9.753 18.917 -15.235 1.00 62.31 H new ATOM 434 N ILE A 809 10.028 14.218 -13.063 1.00 22.24 N ATOM 435 CA ILE A 809 10.005 12.776 -13.241 1.00 31.14 C ATOM 436 C ILE A 809 8.786 12.197 -12.519 1.00 61.04 C ATOM 437 O ILE A 809 8.685 12.284 -11.297 1.00 32.44 O ATOM 438 CB ILE A 809 11.333 12.160 -12.796 1.00 32.43 C ATOM 439 CG1 ILE A 809 12.376 12.241 -13.912 1.00 3.33 C ATOM 440 CG2 ILE A 809 11.133 10.725 -12.301 1.00 43.44 C ATOM 441 CD1 ILE A 809 13.137 13.568 -13.855 1.00 71.32 C ATOM 0 H ILE A 809 10.054 14.528 -12.091 1.00 22.24 H new ATOM 0 HA ILE A 809 9.901 12.524 -14.296 1.00 31.14 H new ATOM 0 HB ILE A 809 11.715 12.740 -11.956 1.00 32.43 H new ATOM 0 HG12 ILE A 809 13.077 11.411 -13.821 1.00 3.33 H new ATOM 0 HG13 ILE A 809 11.886 12.140 -14.881 1.00 3.33 H new ATOM 0 HG21 ILE A 809 12.092 10.310 -11.991 1.00 43.44 H new ATOM 0 HG22 ILE A 809 10.446 10.725 -11.454 1.00 43.44 H new ATOM 0 HG23 ILE A 809 10.718 10.117 -13.105 1.00 43.44 H new ATOM 0 HD11 ILE A 809 13.872 13.600 -14.659 1.00 71.32 H new ATOM 0 HD12 ILE A 809 12.436 14.395 -13.971 1.00 71.32 H new ATOM 0 HD13 ILE A 809 13.645 13.655 -12.895 1.00 71.32 H new ATOM 453 N LYS A 810 7.891 11.619 -13.307 1.00 43.44 N ATOM 454 CA LYS A 810 6.683 11.026 -12.759 1.00 43.34 C ATOM 455 C LYS A 810 7.038 9.714 -12.057 1.00 72.15 C ATOM 456 O LYS A 810 7.435 8.747 -12.706 1.00 32.35 O ATOM 457 CB LYS A 810 5.620 10.873 -13.849 1.00 13.44 C ATOM 458 CG LYS A 810 4.474 9.978 -13.374 1.00 34.31 C ATOM 459 CD LYS A 810 3.953 10.431 -12.009 1.00 31.15 C ATOM 460 CE LYS A 810 2.460 10.128 -11.863 1.00 3.01 C ATOM 461 NZ LYS A 810 1.650 11.221 -12.446 1.00 4.24 N ATOM 0 H LYS A 810 7.978 11.549 -14.321 1.00 43.44 H new ATOM 0 HA LYS A 810 6.243 11.681 -12.007 1.00 43.34 H new ATOM 0 HB2 LYS A 810 5.231 11.854 -14.123 1.00 13.44 H new ATOM 0 HB3 LYS A 810 6.071 10.447 -14.745 1.00 13.44 H new ATOM 0 HG2 LYS A 810 3.664 10.002 -14.103 1.00 34.31 H new ATOM 0 HG3 LYS A 810 4.817 8.945 -13.312 1.00 34.31 H new ATOM 0 HD2 LYS A 810 4.509 9.927 -11.218 1.00 31.15 H new ATOM 0 HD3 LYS A 810 4.124 11.501 -11.887 1.00 31.15 H new ATOM 0 HE2 LYS A 810 2.224 9.187 -12.360 1.00 3.01 H new ATOM 0 HE3 LYS A 810 2.209 10.004 -10.810 1.00 3.01 H new ATOM 0 HZ1 LYS A 810 0.640 11.000 -12.339 1.00 4.24 H new ATOM 0 HZ2 LYS A 810 1.863 12.112 -11.954 1.00 4.24 H new ATOM 0 HZ3 LYS A 810 1.877 11.321 -13.456 1.00 4.24 H new ATOM 474 N ILE A 811 6.882 9.723 -10.742 1.00 33.42 N ATOM 475 CA ILE A 811 7.180 8.545 -9.945 1.00 23.21 C ATOM 476 C ILE A 811 6.128 7.469 -10.219 1.00 32.33 C ATOM 477 O ILE A 811 4.934 7.701 -10.034 1.00 2.53 O ATOM 478 CB ILE A 811 7.309 8.917 -8.466 1.00 63.14 C ATOM 479 CG1 ILE A 811 8.266 10.096 -8.279 1.00 53.53 C ATOM 480 CG2 ILE A 811 7.724 7.705 -7.630 1.00 72.41 C ATOM 481 CD1 ILE A 811 9.715 9.672 -8.528 1.00 14.41 C ATOM 0 H ILE A 811 6.553 10.527 -10.208 1.00 33.42 H new ATOM 0 HA ILE A 811 8.145 8.127 -10.230 1.00 23.21 H new ATOM 0 HB ILE A 811 6.330 9.236 -8.108 1.00 63.14 H new ATOM 0 HG12 ILE A 811 7.996 10.900 -8.964 1.00 53.53 H new ATOM 0 HG13 ILE A 811 8.168 10.492 -7.268 1.00 53.53 H new ATOM 0 HG21 ILE A 811 7.808 7.997 -6.583 1.00 72.41 H new ATOM 0 HG22 ILE A 811 6.973 6.921 -7.729 1.00 72.41 H new ATOM 0 HG23 ILE A 811 8.686 7.333 -7.982 1.00 72.41 H new ATOM 0 HD11 ILE A 811 10.374 10.529 -8.388 1.00 14.41 H new ATOM 0 HD12 ILE A 811 9.990 8.885 -7.826 1.00 14.41 H new ATOM 0 HD13 ILE A 811 9.815 9.300 -9.548 1.00 14.41 H new ATOM 493 N LEU A 812 6.608 6.314 -10.655 1.00 62.31 N ATOM 494 CA LEU A 812 5.724 5.201 -10.956 1.00 54.03 C ATOM 495 C LEU A 812 6.024 4.043 -10.002 1.00 44.42 C ATOM 496 O LEU A 812 5.109 3.444 -9.440 1.00 3.24 O ATOM 497 CB LEU A 812 5.824 4.821 -12.435 1.00 5.40 C ATOM 498 CG LEU A 812 5.889 5.987 -13.424 1.00 14.21 C ATOM 499 CD1 LEU A 812 6.683 5.603 -14.674 1.00 20.14 C ATOM 500 CD2 LEU A 812 4.486 6.491 -13.769 1.00 12.10 C ATOM 0 H LEU A 812 7.599 6.125 -10.807 1.00 62.31 H new ATOM 0 HA LEU A 812 4.685 5.487 -10.794 1.00 54.03 H new ATOM 0 HB2 LEU A 812 6.712 4.204 -12.572 1.00 5.40 H new ATOM 0 HB3 LEU A 812 4.964 4.202 -12.690 1.00 5.40 H new ATOM 0 HG LEU A 812 6.420 6.811 -12.946 1.00 14.21 H new ATOM 0 HD11 LEU A 812 6.714 6.450 -15.360 1.00 20.14 H new ATOM 0 HD12 LEU A 812 7.699 5.329 -14.390 1.00 20.14 H new ATOM 0 HD13 LEU A 812 6.203 4.756 -15.164 1.00 20.14 H new ATOM 0 HD21 LEU A 812 4.560 7.320 -14.473 1.00 12.10 H new ATOM 0 HD22 LEU A 812 3.909 5.683 -14.219 1.00 12.10 H new ATOM 0 HD23 LEU A 812 3.988 6.830 -12.861 1.00 12.10 H new ATOM 512 N ASN A 813 7.310 3.763 -9.849 1.00 43.35 N ATOM 513 CA ASN A 813 7.743 2.688 -8.973 1.00 41.12 C ATOM 514 C ASN A 813 8.689 3.251 -7.910 1.00 54.44 C ATOM 515 O ASN A 813 9.380 4.240 -8.151 1.00 11.03 O ATOM 516 CB ASN A 813 8.498 1.611 -9.755 1.00 3.14 C ATOM 517 CG ASN A 813 8.276 0.229 -9.137 1.00 64.23 C ATOM 518 OD1 ASN A 813 7.654 0.077 -8.099 1.00 22.31 O ATOM 519 ND2 ASN A 813 8.819 -0.767 -9.832 1.00 73.20 N ATOM 0 H ASN A 813 8.066 4.262 -10.317 1.00 43.35 H new ATOM 0 HA ASN A 813 6.857 2.248 -8.516 1.00 41.12 H new ATOM 0 HB2 ASN A 813 8.163 1.608 -10.792 1.00 3.14 H new ATOM 0 HB3 ASN A 813 9.563 1.842 -9.764 1.00 3.14 H new ATOM 0 HD21 ASN A 813 8.727 -1.728 -9.503 1.00 73.20 H new ATOM 0 HD22 ASN A 813 9.327 -0.570 -10.694 1.00 73.20 H new ATOM 526 N LYS A 814 8.688 2.598 -6.758 1.00 4.02 N ATOM 527 CA LYS A 814 9.538 3.021 -5.657 1.00 55.43 C ATOM 528 C LYS A 814 10.240 1.800 -5.061 1.00 74.44 C ATOM 529 O LYS A 814 9.950 1.401 -3.934 1.00 43.41 O ATOM 530 CB LYS A 814 8.730 3.826 -4.636 1.00 62.43 C ATOM 531 CG LYS A 814 9.607 4.872 -3.945 1.00 62.51 C ATOM 532 CD LYS A 814 9.561 6.206 -4.692 1.00 14.12 C ATOM 533 CE LYS A 814 8.177 6.849 -4.580 1.00 74.33 C ATOM 534 NZ LYS A 814 8.232 8.272 -4.982 1.00 70.15 N ATOM 0 H LYS A 814 8.112 1.779 -6.562 1.00 4.02 H new ATOM 0 HA LYS A 814 10.318 3.693 -6.014 1.00 55.43 H new ATOM 0 HB2 LYS A 814 7.895 4.318 -5.134 1.00 62.43 H new ATOM 0 HB3 LYS A 814 8.305 3.153 -3.891 1.00 62.43 H new ATOM 0 HG2 LYS A 814 9.269 5.014 -2.918 1.00 62.51 H new ATOM 0 HG3 LYS A 814 10.635 4.514 -3.895 1.00 62.51 H new ATOM 0 HD2 LYS A 814 10.314 6.881 -4.285 1.00 14.12 H new ATOM 0 HD3 LYS A 814 9.809 6.048 -5.742 1.00 14.12 H new ATOM 0 HE2 LYS A 814 7.469 6.314 -5.212 1.00 74.33 H new ATOM 0 HE3 LYS A 814 7.814 6.768 -3.555 1.00 74.33 H new ATOM 0 HZ1 LYS A 814 7.297 8.572 -5.324 1.00 70.15 H new ATOM 0 HZ2 LYS A 814 8.505 8.854 -4.164 1.00 70.15 H new ATOM 0 HZ3 LYS A 814 8.933 8.392 -5.741 1.00 70.15 H new ATOM 609 N GLY A 819 16.968 4.334 -3.055 1.00 3.34 N ATOM 610 CA GLY A 819 17.884 3.714 -3.997 1.00 41.42 C ATOM 611 C GLY A 819 17.709 4.302 -5.399 1.00 73.41 C ATOM 612 O GLY A 819 18.347 5.295 -5.744 1.00 63.55 O ATOM 0 HA2 GLY A 819 18.911 3.862 -3.662 1.00 41.42 H new ATOM 0 HA3 GLY A 819 17.710 2.638 -4.025 1.00 41.42 H new ATOM 616 N TRP A 820 16.840 3.663 -6.169 1.00 70.10 N ATOM 617 CA TRP A 820 16.573 4.109 -7.526 1.00 15.54 C ATOM 618 C TRP A 820 15.080 3.916 -7.802 1.00 21.15 C ATOM 619 O TRP A 820 14.578 2.793 -7.762 1.00 44.55 O ATOM 620 CB TRP A 820 17.466 3.378 -8.530 1.00 11.34 C ATOM 621 CG TRP A 820 17.113 1.901 -8.716 1.00 41.21 C ATOM 622 CD1 TRP A 820 16.871 0.985 -7.769 1.00 33.12 C ATOM 623 CD2 TRP A 820 16.972 1.203 -9.971 1.00 61.31 C ATOM 624 NE1 TRP A 820 16.585 -0.248 -8.319 1.00 60.11 N ATOM 625 CE2 TRP A 820 16.648 -0.111 -9.701 1.00 25.21 C ATOM 626 CE3 TRP A 820 17.113 1.666 -11.291 1.00 40.01 C ATOM 627 CZ2 TRP A 820 16.439 -1.070 -10.699 1.00 71.13 C ATOM 628 CZ3 TRP A 820 16.900 0.695 -12.277 1.00 43.44 C ATOM 629 CH2 TRP A 820 16.574 -0.631 -12.022 1.00 21.31 C ATOM 0 H TRP A 820 16.312 2.840 -5.879 1.00 70.10 H new ATOM 0 HA TRP A 820 16.814 5.166 -7.639 1.00 15.54 H new ATOM 0 HB2 TRP A 820 17.399 3.881 -9.494 1.00 11.34 H new ATOM 0 HB3 TRP A 820 18.503 3.455 -8.202 1.00 11.34 H new ATOM 0 HD1 TRP A 820 16.897 1.186 -6.708 1.00 33.12 H new ATOM 0 HE1 TRP A 820 16.367 -1.102 -7.806 1.00 60.11 H new ATOM 0 HE3 TRP A 820 17.366 2.689 -11.526 1.00 40.01 H new ATOM 0 HZ2 TRP A 820 16.187 -2.093 -10.462 1.00 71.13 H new ATOM 0 HZ3 TRP A 820 16.996 0.998 -13.309 1.00 43.44 H new ATOM 0 HH2 TRP A 820 16.425 -1.320 -12.840 1.00 21.31 H new ATOM 640 N TRP A 821 14.412 5.027 -8.074 1.00 44.24 N ATOM 641 CA TRP A 821 12.987 4.994 -8.357 1.00 24.03 C ATOM 642 C TRP A 821 12.808 4.858 -9.870 1.00 44.11 C ATOM 643 O TRP A 821 13.749 5.077 -10.632 1.00 72.22 O ATOM 644 CB TRP A 821 12.285 6.225 -7.780 1.00 24.22 C ATOM 645 CG TRP A 821 12.405 6.354 -6.260 1.00 1.20 C ATOM 646 CD1 TRP A 821 12.315 5.384 -5.340 1.00 4.33 C ATOM 647 CD2 TRP A 821 12.642 7.568 -5.516 1.00 50.35 C ATOM 648 NE1 TRP A 821 12.476 5.882 -4.063 1.00 3.34 N ATOM 649 CE2 TRP A 821 12.681 7.253 -4.174 1.00 23.43 C ATOM 650 CE3 TRP A 821 12.817 8.890 -5.964 1.00 24.31 C ATOM 651 CZ2 TRP A 821 12.895 8.203 -3.169 1.00 14.55 C ATOM 652 CZ3 TRP A 821 13.029 9.828 -4.947 1.00 5.22 C ATOM 653 CH2 TRP A 821 13.072 9.526 -3.591 1.00 13.53 C ATOM 0 H TRP A 821 14.831 5.956 -8.104 1.00 44.24 H new ATOM 0 HA TRP A 821 12.518 4.138 -7.873 1.00 24.03 H new ATOM 0 HB2 TRP A 821 12.701 7.119 -8.244 1.00 24.22 H new ATOM 0 HB3 TRP A 821 11.229 6.188 -8.049 1.00 24.22 H new ATOM 0 HD1 TRP A 821 12.139 4.343 -5.569 1.00 4.33 H new ATOM 0 HE1 TRP A 821 12.450 5.344 -3.197 1.00 3.34 H new ATOM 0 HE3 TRP A 821 12.790 9.160 -7.009 1.00 24.31 H new ATOM 0 HZ2 TRP A 821 12.922 7.930 -2.124 1.00 14.55 H new ATOM 0 HZ3 TRP A 821 13.169 10.859 -5.236 1.00 5.22 H new ATOM 0 HH2 TRP A 821 13.241 10.309 -2.866 1.00 13.53 H new ATOM 664 N ARG A 822 11.595 4.498 -10.260 1.00 75.22 N ATOM 665 CA ARG A 822 11.280 4.330 -11.669 1.00 0.21 C ATOM 666 C ARG A 822 10.132 5.259 -12.071 1.00 23.23 C ATOM 667 O ARG A 822 9.044 5.188 -11.502 1.00 10.21 O ATOM 668 CB ARG A 822 10.889 2.884 -11.977 1.00 74.34 C ATOM 669 CG ARG A 822 10.876 2.629 -13.486 1.00 40.01 C ATOM 670 CD ARG A 822 10.181 1.306 -13.813 1.00 32.10 C ATOM 671 NE ARG A 822 10.638 0.805 -15.129 1.00 1.45 N ATOM 672 CZ ARG A 822 10.275 -0.384 -15.654 1.00 31.02 C ATOM 673 NH1 ARG A 822 9.445 -1.207 -14.978 1.00 54.50 N ATOM 674 NH2 ARG A 822 10.744 -0.731 -16.838 1.00 11.21 N ATOM 0 H ARG A 822 10.817 4.318 -9.625 1.00 75.22 H new ATOM 0 HA ARG A 822 12.173 4.582 -12.241 1.00 0.21 H new ATOM 0 HB2 ARG A 822 11.591 2.203 -11.496 1.00 74.34 H new ATOM 0 HB3 ARG A 822 9.904 2.673 -11.560 1.00 74.34 H new ATOM 0 HG2 ARG A 822 10.364 3.447 -13.992 1.00 40.01 H new ATOM 0 HG3 ARG A 822 11.898 2.610 -13.864 1.00 40.01 H new ATOM 0 HD2 ARG A 822 10.399 0.570 -13.039 1.00 32.10 H new ATOM 0 HD3 ARG A 822 9.100 1.447 -13.824 1.00 32.10 H new ATOM 0 HE ARG A 822 11.267 1.396 -15.673 1.00 1.45 H new ATOM 0 HH11 ARG A 822 9.087 -0.932 -14.063 1.00 54.50 H new ATOM 0 HH12 ARG A 822 9.176 -2.104 -15.382 1.00 54.50 H new ATOM 0 HH21 ARG A 822 11.371 -0.104 -17.342 1.00 11.21 H new ATOM 0 HH22 ARG A 822 10.479 -1.626 -17.249 1.00 11.21 H new ATOM 687 N GLY A 823 10.415 6.108 -13.048 1.00 33.32 N ATOM 688 CA GLY A 823 9.420 7.049 -13.532 1.00 55.13 C ATOM 689 C GLY A 823 9.382 7.069 -15.062 1.00 23.12 C ATOM 690 O GLY A 823 9.667 6.061 -15.706 1.00 71.33 O ATOM 0 H GLY A 823 11.319 6.164 -13.517 1.00 33.32 H new ATOM 0 HA2 GLY A 823 8.438 6.777 -13.144 1.00 55.13 H new ATOM 0 HA3 GLY A 823 9.646 8.047 -13.157 1.00 55.13 H new ATOM 694 N GLU A 824 9.029 8.228 -15.598 1.00 70.33 N ATOM 695 CA GLU A 824 8.951 8.392 -17.040 1.00 12.11 C ATOM 696 C GLU A 824 8.918 9.878 -17.404 1.00 30.13 C ATOM 697 O GLU A 824 8.478 10.706 -16.607 1.00 65.04 O ATOM 698 CB GLU A 824 7.734 7.661 -17.610 1.00 13.11 C ATOM 699 CG GLU A 824 7.341 8.231 -18.974 1.00 41.15 C ATOM 700 CD GLU A 824 6.119 7.506 -19.540 1.00 74.14 C ATOM 701 OE1 GLU A 824 4.991 7.743 -19.083 1.00 75.41 O ATOM 702 OE2 GLU A 824 6.372 6.671 -20.490 1.00 75.35 O ATOM 0 H GLU A 824 8.794 9.062 -15.060 1.00 70.33 H new ATOM 0 HA GLU A 824 9.841 7.948 -17.485 1.00 12.11 H new ATOM 0 HB2 GLU A 824 7.956 6.598 -17.706 1.00 13.11 H new ATOM 0 HB3 GLU A 824 6.895 7.750 -16.919 1.00 13.11 H new ATOM 0 HG2 GLU A 824 7.125 9.295 -18.879 1.00 41.15 H new ATOM 0 HG3 GLU A 824 8.177 8.136 -19.666 1.00 41.15 H new ATOM 710 N ILE A 825 9.389 10.170 -18.607 1.00 53.31 N ATOM 711 CA ILE A 825 9.419 11.542 -19.086 1.00 72.21 C ATOM 712 C ILE A 825 9.154 11.557 -20.593 1.00 15.12 C ATOM 713 O ILE A 825 9.853 10.894 -21.357 1.00 4.13 O ATOM 714 CB ILE A 825 10.730 12.221 -18.686 1.00 22.44 C ATOM 715 CG1 ILE A 825 10.673 12.714 -17.238 1.00 74.33 C ATOM 716 CG2 ILE A 825 11.086 13.345 -19.661 1.00 33.25 C ATOM 717 CD1 ILE A 825 11.739 13.780 -16.980 1.00 30.15 C ATOM 0 H ILE A 825 9.753 9.480 -19.265 1.00 53.31 H new ATOM 0 HA ILE A 825 8.628 12.127 -18.616 1.00 72.21 H new ATOM 0 HB ILE A 825 11.529 11.481 -18.743 1.00 22.44 H new ATOM 0 HG12 ILE A 825 9.685 13.124 -17.028 1.00 74.33 H new ATOM 0 HG13 ILE A 825 10.821 11.875 -16.558 1.00 74.33 H new ATOM 0 HG21 ILE A 825 12.022 13.811 -19.353 1.00 33.25 H new ATOM 0 HG22 ILE A 825 11.198 12.934 -20.665 1.00 33.25 H new ATOM 0 HG23 ILE A 825 10.292 14.092 -19.661 1.00 33.25 H new ATOM 0 HD11 ILE A 825 11.677 14.113 -15.944 1.00 30.15 H new ATOM 0 HD12 ILE A 825 12.727 13.359 -17.167 1.00 30.15 H new ATOM 0 HD13 ILE A 825 11.574 14.628 -17.645 1.00 30.15 H new ATOM 729 N TYR A 826 8.141 12.321 -20.975 1.00 51.13 N ATOM 730 CA TYR A 826 7.775 12.432 -22.377 1.00 75.41 C ATOM 731 C TYR A 826 7.389 11.067 -22.952 1.00 52.22 C ATOM 732 O TYR A 826 7.505 10.842 -24.156 1.00 21.53 O ATOM 733 CB TYR A 826 9.022 12.942 -23.100 1.00 44.11 C ATOM 734 CG TYR A 826 9.690 14.139 -22.420 1.00 30.24 C ATOM 735 CD1 TYR A 826 8.996 14.874 -21.481 1.00 12.34 C ATOM 736 CD2 TYR A 826 10.986 14.483 -22.745 1.00 25.11 C ATOM 737 CE1 TYR A 826 9.624 16.001 -20.840 1.00 61.32 C ATOM 738 CE2 TYR A 826 11.615 15.609 -22.104 1.00 53.24 C ATOM 739 CZ TYR A 826 10.903 16.313 -21.184 1.00 35.53 C ATOM 740 OH TYR A 826 11.496 17.376 -20.579 1.00 11.31 O ATOM 0 H TYR A 826 7.562 12.869 -20.338 1.00 51.13 H new ATOM 0 HA TYR A 826 6.920 13.097 -22.499 1.00 75.41 H new ATOM 0 HB2 TYR A 826 9.745 12.129 -23.174 1.00 44.11 H new ATOM 0 HB3 TYR A 826 8.751 13.221 -24.118 1.00 44.11 H new ATOM 0 HD1 TYR A 826 7.982 14.604 -21.226 1.00 12.34 H new ATOM 0 HD2 TYR A 826 11.529 13.908 -23.480 1.00 25.11 H new ATOM 0 HE1 TYR A 826 9.092 16.585 -20.103 1.00 61.32 H new ATOM 0 HE2 TYR A 826 12.629 15.888 -22.349 1.00 53.24 H new ATOM 0 HH TYR A 826 12.408 17.135 -20.314 1.00 11.31 H new ATOM 750 N GLY A 827 6.938 10.193 -22.065 1.00 34.21 N ATOM 751 CA GLY A 827 6.534 8.857 -22.469 1.00 60.22 C ATOM 752 C GLY A 827 7.708 7.879 -22.380 1.00 55.01 C ATOM 753 O GLY A 827 7.537 6.679 -22.587 1.00 61.42 O ATOM 0 H GLY A 827 6.843 10.384 -21.067 1.00 34.21 H new ATOM 0 HA2 GLY A 827 5.719 8.512 -21.833 1.00 60.22 H new ATOM 0 HA3 GLY A 827 6.153 8.881 -23.490 1.00 60.22 H new ATOM 757 N ARG A 828 8.873 8.429 -22.072 1.00 14.34 N ATOM 758 CA ARG A 828 10.074 7.621 -21.952 1.00 60.35 C ATOM 759 C ARG A 828 10.178 7.029 -20.545 1.00 63.04 C ATOM 760 O ARG A 828 10.341 7.761 -19.571 1.00 14.44 O ATOM 761 CB ARG A 828 11.327 8.449 -22.244 1.00 13.40 C ATOM 762 CG ARG A 828 11.330 8.948 -23.691 1.00 20.25 C ATOM 763 CD ARG A 828 12.753 9.261 -24.159 1.00 75.44 C ATOM 764 NE ARG A 828 12.773 9.442 -25.628 1.00 60.41 N ATOM 765 CZ ARG A 828 13.900 9.473 -26.371 1.00 53.31 C ATOM 766 NH1 ARG A 828 15.109 9.336 -25.788 1.00 3.34 N ATOM 767 NH2 ARG A 828 13.801 9.641 -27.677 1.00 32.43 N ATOM 0 H ARG A 828 9.011 9.425 -21.902 1.00 14.34 H new ATOM 0 HA ARG A 828 10.006 6.816 -22.684 1.00 60.35 H new ATOM 0 HB2 ARG A 828 11.373 9.298 -21.563 1.00 13.40 H new ATOM 0 HB3 ARG A 828 12.216 7.846 -22.062 1.00 13.40 H new ATOM 0 HG2 ARG A 828 10.887 8.193 -24.341 1.00 20.25 H new ATOM 0 HG3 ARG A 828 10.711 9.842 -23.773 1.00 20.25 H new ATOM 0 HD2 ARG A 828 13.116 10.164 -23.668 1.00 75.44 H new ATOM 0 HD3 ARG A 828 13.425 8.451 -23.875 1.00 75.44 H new ATOM 0 HE ARG A 828 11.880 9.550 -26.109 1.00 60.41 H new ATOM 0 HH11 ARG A 828 15.177 9.208 -24.778 1.00 3.34 H new ATOM 0 HH12 ARG A 828 15.955 9.361 -26.357 1.00 3.34 H new ATOM 0 HH21 ARG A 828 12.883 9.745 -28.110 1.00 32.43 H new ATOM 0 HH22 ARG A 828 14.642 9.667 -28.253 1.00 32.43 H new ATOM 780 N ILE A 829 10.081 5.709 -20.484 1.00 51.14 N ATOM 781 CA ILE A 829 10.162 5.011 -19.213 1.00 22.42 C ATOM 782 C ILE A 829 11.628 4.712 -18.893 1.00 3.02 C ATOM 783 O ILE A 829 12.462 4.640 -19.794 1.00 50.23 O ATOM 784 CB ILE A 829 9.270 3.768 -19.226 1.00 61.32 C ATOM 785 CG1 ILE A 829 7.814 4.141 -19.514 1.00 23.33 C ATOM 786 CG2 ILE A 829 9.413 2.976 -17.924 1.00 52.45 C ATOM 787 CD1 ILE A 829 7.057 4.433 -18.217 1.00 0.22 C ATOM 0 H ILE A 829 9.947 5.105 -21.295 1.00 51.14 H new ATOM 0 HA ILE A 829 9.781 5.640 -18.408 1.00 22.42 H new ATOM 0 HB ILE A 829 9.602 3.118 -20.036 1.00 61.32 H new ATOM 0 HG12 ILE A 829 7.780 5.015 -20.164 1.00 23.33 H new ATOM 0 HG13 ILE A 829 7.325 3.327 -20.049 1.00 23.33 H new ATOM 0 HG21 ILE A 829 8.768 2.098 -17.960 1.00 52.45 H new ATOM 0 HG22 ILE A 829 10.449 2.661 -17.802 1.00 52.45 H new ATOM 0 HG23 ILE A 829 9.123 3.605 -17.082 1.00 52.45 H new ATOM 0 HD11 ILE A 829 6.025 4.696 -18.449 1.00 0.22 H new ATOM 0 HD12 ILE A 829 7.072 3.549 -17.580 1.00 0.22 H new ATOM 0 HD13 ILE A 829 7.534 5.263 -17.696 1.00 0.22 H new ATOM 799 N GLY A 830 11.898 4.546 -17.606 1.00 50.13 N ATOM 800 CA GLY A 830 13.249 4.257 -17.156 1.00 71.10 C ATOM 801 C GLY A 830 13.364 4.404 -15.637 1.00 41.05 C ATOM 802 O GLY A 830 12.354 4.474 -14.939 1.00 23.14 O ATOM 0 H GLY A 830 11.204 4.606 -16.861 1.00 50.13 H new ATOM 0 HA2 GLY A 830 13.525 3.244 -17.449 1.00 71.10 H new ATOM 0 HA3 GLY A 830 13.951 4.932 -17.645 1.00 71.10 H new ATOM 806 N TRP A 831 14.604 4.447 -15.171 1.00 74.25 N ATOM 807 CA TRP A 831 14.864 4.584 -13.749 1.00 11.44 C ATOM 808 C TRP A 831 15.838 5.748 -13.557 1.00 4.24 C ATOM 809 O TRP A 831 16.225 6.404 -14.522 1.00 45.24 O ATOM 810 CB TRP A 831 15.377 3.271 -13.156 1.00 23.24 C ATOM 811 CG TRP A 831 14.403 2.100 -13.300 1.00 13.24 C ATOM 812 CD1 TRP A 831 13.923 1.560 -14.428 1.00 61.12 C ATOM 813 CD2 TRP A 831 13.805 1.342 -12.227 1.00 12.23 C ATOM 814 NE1 TRP A 831 13.063 0.514 -14.162 1.00 62.35 N ATOM 815 CE2 TRP A 831 12.989 0.377 -12.781 1.00 42.12 C ATOM 816 CE3 TRP A 831 13.949 1.468 -10.834 1.00 14.02 C ATOM 817 CZ2 TRP A 831 12.254 -0.536 -12.017 1.00 35.52 C ATOM 818 CZ3 TRP A 831 13.207 0.548 -10.084 1.00 32.53 C ATOM 819 CH2 TRP A 831 12.381 -0.430 -10.627 1.00 1.13 C ATOM 0 H TRP A 831 15.439 4.389 -15.754 1.00 74.25 H new ATOM 0 HA TRP A 831 13.944 4.807 -13.208 1.00 11.44 H new ATOM 0 HB2 TRP A 831 16.318 3.009 -13.640 1.00 23.24 H new ATOM 0 HB3 TRP A 831 15.594 3.422 -12.098 1.00 23.24 H new ATOM 0 HD1 TRP A 831 14.177 1.900 -15.421 1.00 61.12 H new ATOM 0 HE1 TRP A 831 12.572 -0.054 -14.852 1.00 62.35 H new ATOM 0 HE3 TRP A 831 14.582 2.215 -10.379 1.00 14.02 H new ATOM 0 HZ2 TRP A 831 11.622 -1.283 -12.475 1.00 35.52 H new ATOM 0 HZ3 TRP A 831 13.281 0.602 -9.008 1.00 32.53 H new ATOM 0 HH2 TRP A 831 11.840 -1.104 -9.980 1.00 1.13 H new ATOM 830 N PHE A 832 16.207 5.969 -12.303 1.00 70.12 N ATOM 831 CA PHE A 832 17.129 7.042 -11.972 1.00 51.12 C ATOM 832 C PHE A 832 17.428 7.065 -10.472 1.00 14.13 C ATOM 833 O PHE A 832 16.622 6.600 -9.668 1.00 34.25 O ATOM 834 CB PHE A 832 16.447 8.354 -12.365 1.00 0.35 C ATOM 835 CG PHE A 832 15.096 8.582 -11.683 1.00 24.15 C ATOM 836 CD1 PHE A 832 13.986 7.948 -12.145 1.00 54.02 C ATOM 837 CD2 PHE A 832 15.007 9.418 -10.614 1.00 14.12 C ATOM 838 CE1 PHE A 832 12.732 8.159 -11.512 1.00 42.33 C ATOM 839 CE2 PHE A 832 13.753 9.629 -9.981 1.00 1.41 C ATOM 840 CZ PHE A 832 12.642 8.996 -10.444 1.00 24.44 C ATOM 0 H PHE A 832 15.884 5.423 -11.504 1.00 70.12 H new ATOM 0 HA PHE A 832 18.072 6.899 -12.500 1.00 51.12 H new ATOM 0 HB2 PHE A 832 17.110 9.184 -12.121 1.00 0.35 H new ATOM 0 HB3 PHE A 832 16.304 8.368 -13.445 1.00 0.35 H new ATOM 0 HD1 PHE A 832 14.057 7.284 -12.994 1.00 54.02 H new ATOM 0 HD2 PHE A 832 15.889 9.921 -10.247 1.00 14.12 H new ATOM 0 HE1 PHE A 832 11.850 7.655 -11.879 1.00 42.33 H new ATOM 0 HE2 PHE A 832 13.682 10.292 -9.132 1.00 1.41 H new ATOM 0 HZ PHE A 832 11.688 9.158 -9.964 1.00 24.44 H new ATOM 850 N PRO A 833 18.619 7.626 -10.131 1.00 70.24 N ATOM 851 CA PRO A 833 19.034 7.716 -8.742 1.00 21.51 C ATOM 852 C PRO A 833 18.267 8.819 -8.010 1.00 74.44 C ATOM 853 O PRO A 833 17.895 9.825 -8.612 1.00 74.23 O ATOM 854 CB PRO A 833 20.532 7.969 -8.794 1.00 70.54 C ATOM 855 CG PRO A 833 20.821 8.472 -10.199 1.00 54.51 C ATOM 856 CD PRO A 833 19.599 8.187 -11.057 1.00 13.11 C ATOM 0 HA PRO A 833 18.816 6.808 -8.179 1.00 21.51 H new ATOM 0 HB2 PRO A 833 20.830 8.705 -8.047 1.00 70.54 H new ATOM 0 HB3 PRO A 833 21.090 7.057 -8.583 1.00 70.54 H new ATOM 0 HG2 PRO A 833 21.037 9.540 -10.185 1.00 54.51 H new ATOM 0 HG3 PRO A 833 21.700 7.975 -10.609 1.00 54.51 H new ATOM 0 HD2 PRO A 833 19.224 9.096 -11.527 1.00 13.11 H new ATOM 0 HD3 PRO A 833 19.833 7.487 -11.859 1.00 13.11 H new ATOM 864 N SER A 834 18.053 8.592 -6.723 1.00 14.43 N ATOM 865 CA SER A 834 17.336 9.555 -5.903 1.00 23.43 C ATOM 866 C SER A 834 18.285 10.668 -5.454 1.00 54.40 C ATOM 867 O SER A 834 17.895 11.550 -4.689 1.00 62.43 O ATOM 868 CB SER A 834 16.701 8.877 -4.687 1.00 55.11 C ATOM 869 OG SER A 834 17.647 8.650 -3.647 1.00 24.14 O ATOM 0 H SER A 834 18.363 7.756 -6.227 1.00 14.43 H new ATOM 0 HA SER A 834 16.536 9.988 -6.503 1.00 23.43 H new ATOM 0 HB2 SER A 834 15.889 9.498 -4.309 1.00 55.11 H new ATOM 0 HB3 SER A 834 16.261 7.927 -4.990 1.00 55.11 H new ATOM 0 HG SER A 834 17.202 8.217 -2.889 1.00 24.14 H new ATOM 875 N ASN A 835 19.511 10.592 -5.949 1.00 3.32 N ATOM 876 CA ASN A 835 20.518 11.583 -5.609 1.00 3.05 C ATOM 877 C ASN A 835 20.731 12.518 -6.801 1.00 21.02 C ATOM 878 O ASN A 835 21.545 13.438 -6.735 1.00 63.45 O ATOM 879 CB ASN A 835 21.857 10.918 -5.284 1.00 45.22 C ATOM 880 CG ASN A 835 21.804 10.209 -3.929 1.00 52.34 C ATOM 881 OD1 ASN A 835 21.964 10.809 -2.879 1.00 54.10 O ATOM 882 ND2 ASN A 835 21.571 8.903 -4.011 1.00 73.55 N ATOM 0 H ASN A 835 19.830 9.860 -6.583 1.00 3.32 H new ATOM 0 HA ASN A 835 20.168 12.134 -4.736 1.00 3.05 H new ATOM 0 HB2 ASN A 835 22.109 10.200 -6.064 1.00 45.22 H new ATOM 0 HB3 ASN A 835 22.647 11.669 -5.275 1.00 45.22 H new ATOM 0 HD21 ASN A 835 21.517 8.340 -3.162 1.00 73.55 H new ATOM 0 HD22 ASN A 835 21.446 8.463 -4.923 1.00 73.55 H new ATOM 889 N TYR A 836 19.985 12.250 -7.862 1.00 52.43 N ATOM 890 CA TYR A 836 20.082 13.056 -9.068 1.00 15.35 C ATOM 891 C TYR A 836 18.764 13.780 -9.350 1.00 54.42 C ATOM 892 O TYR A 836 18.646 14.499 -10.341 1.00 43.15 O ATOM 893 CB TYR A 836 20.366 12.077 -10.208 1.00 23.11 C ATOM 894 CG TYR A 836 21.853 11.786 -10.421 1.00 70.34 C ATOM 895 CD1 TYR A 836 22.616 11.293 -9.382 1.00 51.51 C ATOM 896 CD2 TYR A 836 22.431 12.015 -11.653 1.00 42.34 C ATOM 897 CE1 TYR A 836 24.015 11.019 -9.583 1.00 43.40 C ATOM 898 CE2 TYR A 836 23.831 11.741 -11.854 1.00 55.24 C ATOM 899 CZ TYR A 836 24.554 11.257 -10.809 1.00 75.22 C ATOM 900 OH TYR A 836 25.875 10.998 -10.999 1.00 61.00 O ATOM 0 H TYR A 836 19.311 11.486 -7.912 1.00 52.43 H new ATOM 0 HA TYR A 836 20.860 13.812 -8.963 1.00 15.35 H new ATOM 0 HB2 TYR A 836 19.848 11.140 -10.006 1.00 23.11 H new ATOM 0 HB3 TYR A 836 19.949 12.479 -11.131 1.00 23.11 H new ATOM 0 HD1 TYR A 836 22.164 11.113 -8.418 1.00 51.51 H new ATOM 0 HD2 TYR A 836 21.834 12.400 -12.467 1.00 42.34 H new ATOM 0 HE1 TYR A 836 24.623 10.633 -8.778 1.00 43.40 H new ATOM 0 HE2 TYR A 836 24.296 11.916 -12.813 1.00 55.24 H new ATOM 0 HH TYR A 836 26.121 11.214 -11.923 1.00 61.00 H new ATOM 910 N VAL A 837 17.805 13.566 -8.461 1.00 60.11 N ATOM 911 CA VAL A 837 16.500 14.189 -8.602 1.00 41.15 C ATOM 912 C VAL A 837 16.008 14.649 -7.229 1.00 34.43 C ATOM 913 O VAL A 837 16.600 14.306 -6.207 1.00 33.25 O ATOM 914 CB VAL A 837 15.532 13.226 -9.293 1.00 43.11 C ATOM 915 CG1 VAL A 837 16.147 12.656 -10.573 1.00 35.41 C ATOM 916 CG2 VAL A 837 15.103 12.106 -8.344 1.00 21.41 C ATOM 0 H VAL A 837 17.906 12.969 -7.640 1.00 60.11 H new ATOM 0 HA VAL A 837 16.565 15.073 -9.236 1.00 41.15 H new ATOM 0 HB VAL A 837 14.641 13.788 -9.571 1.00 43.11 H new ATOM 0 HG11 VAL A 837 15.439 11.975 -11.045 1.00 35.41 H new ATOM 0 HG12 VAL A 837 16.379 13.471 -11.259 1.00 35.41 H new ATOM 0 HG13 VAL A 837 17.062 12.116 -10.328 1.00 35.41 H new ATOM 0 HG21 VAL A 837 14.415 11.436 -8.860 1.00 21.41 H new ATOM 0 HG22 VAL A 837 15.981 11.547 -8.021 1.00 21.41 H new ATOM 0 HG23 VAL A 837 14.606 12.536 -7.474 1.00 21.41 H new ATOM 926 N GLU A 838 14.929 15.418 -7.249 1.00 31.40 N ATOM 927 CA GLU A 838 14.350 15.928 -6.018 1.00 21.44 C ATOM 928 C GLU A 838 13.007 15.249 -5.741 1.00 70.25 C ATOM 929 O GLU A 838 12.516 14.478 -6.565 1.00 22.23 O ATOM 930 CB GLU A 838 14.194 17.449 -6.074 1.00 25.53 C ATOM 931 CG GLU A 838 15.447 18.148 -5.543 1.00 23.15 C ATOM 932 CD GLU A 838 15.196 19.644 -5.340 1.00 62.51 C ATOM 933 OE1 GLU A 838 14.480 20.266 -6.139 1.00 22.41 O ATOM 934 OE2 GLU A 838 15.774 20.159 -4.309 1.00 24.25 O ATOM 0 H GLU A 838 14.441 15.700 -8.099 1.00 31.40 H new ATOM 0 HA GLU A 838 15.029 15.695 -5.197 1.00 21.44 H new ATOM 0 HB2 GLU A 838 14.007 17.761 -7.101 1.00 25.53 H new ATOM 0 HB3 GLU A 838 13.328 17.751 -5.486 1.00 25.53 H new ATOM 0 HG2 GLU A 838 15.748 17.695 -4.599 1.00 23.15 H new ATOM 0 HG3 GLU A 838 16.271 18.005 -6.242 1.00 23.15 H new ATOM 942 N GLU A 839 12.450 15.560 -4.580 1.00 45.21 N ATOM 943 CA GLU A 839 11.174 14.990 -4.185 1.00 73.02 C ATOM 944 C GLU A 839 10.403 15.974 -3.302 1.00 63.23 C ATOM 945 O GLU A 839 10.985 16.617 -2.430 1.00 51.32 O ATOM 946 CB GLU A 839 11.369 13.650 -3.473 1.00 15.35 C ATOM 947 CG GLU A 839 11.472 12.503 -4.480 1.00 2.32 C ATOM 948 CD GLU A 839 10.155 12.316 -5.235 1.00 51.43 C ATOM 949 OE1 GLU A 839 10.056 11.433 -6.099 1.00 71.45 O ATOM 950 OE2 GLU A 839 9.212 13.129 -4.896 1.00 71.33 O ATOM 0 H GLU A 839 12.860 16.200 -3.900 1.00 45.21 H new ATOM 0 HA GLU A 839 10.587 14.804 -5.085 1.00 73.02 H new ATOM 0 HB2 GLU A 839 12.272 13.686 -2.864 1.00 15.35 H new ATOM 0 HB3 GLU A 839 10.535 13.470 -2.795 1.00 15.35 H new ATOM 0 HG2 GLU A 839 12.275 12.707 -5.188 1.00 2.32 H new ATOM 0 HG3 GLU A 839 11.732 11.581 -3.961 1.00 2.32 H new ATOM 958 N ASP A 840 9.106 16.059 -3.559 1.00 43.51 N ATOM 959 CA ASP A 840 8.250 16.954 -2.798 1.00 63.05 C ATOM 960 C ASP A 840 8.985 18.274 -2.558 1.00 4.13 C ATOM 961 O ASP A 840 8.756 18.942 -1.551 1.00 33.25 O ATOM 962 CB ASP A 840 7.899 16.353 -1.436 1.00 55.40 C ATOM 963 CG ASP A 840 7.051 17.252 -0.533 1.00 22.23 C ATOM 964 OD1 ASP A 840 6.225 18.042 -1.012 1.00 52.22 O ATOM 965 OD2 ASP A 840 7.269 17.115 0.731 1.00 24.03 O ATOM 0 H ASP A 840 8.627 15.523 -4.283 1.00 43.51 H new ATOM 0 HA ASP A 840 7.335 17.113 -3.369 1.00 63.05 H new ATOM 0 HB2 ASP A 840 7.365 15.416 -1.595 1.00 55.40 H new ATOM 0 HB3 ASP A 840 8.824 16.108 -0.914 1.00 55.40 H new ATOM 971 N TYR A 841 9.854 18.611 -3.499 1.00 63.14 N ATOM 972 CA TYR A 841 10.624 19.839 -3.402 1.00 45.23 C ATOM 973 C TYR A 841 9.704 21.059 -3.320 1.00 31.41 C ATOM 974 O TYR A 841 10.023 22.037 -2.647 1.00 11.33 O ATOM 975 CB TYR A 841 11.448 19.923 -4.689 1.00 4.13 C ATOM 976 CG TYR A 841 10.648 19.633 -5.960 1.00 64.01 C ATOM 977 CD1 TYR A 841 9.916 20.638 -6.559 1.00 62.02 C ATOM 978 CD2 TYR A 841 10.659 18.366 -6.508 1.00 13.41 C ATOM 979 CE1 TYR A 841 9.163 20.365 -7.756 1.00 22.12 C ATOM 980 CE2 TYR A 841 9.906 18.093 -7.705 1.00 13.34 C ATOM 981 CZ TYR A 841 9.195 19.106 -8.269 1.00 42.05 C ATOM 982 OH TYR A 841 8.484 18.848 -9.400 1.00 10.13 O ATOM 0 H TYR A 841 10.042 18.055 -4.333 1.00 63.14 H new ATOM 0 HA TYR A 841 11.246 19.832 -2.507 1.00 45.23 H new ATOM 0 HB2 TYR A 841 11.883 20.919 -4.765 1.00 4.13 H new ATOM 0 HB3 TYR A 841 12.276 19.218 -4.625 1.00 4.13 H new ATOM 0 HD1 TYR A 841 9.908 21.629 -6.130 1.00 62.02 H new ATOM 0 HD2 TYR A 841 11.232 17.580 -6.039 1.00 13.41 H new ATOM 0 HE1 TYR A 841 8.586 21.142 -8.235 1.00 22.12 H new ATOM 0 HE2 TYR A 841 9.906 17.107 -8.145 1.00 13.34 H new ATOM 0 HH TYR A 841 8.431 19.660 -9.945 1.00 10.13 H new