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 Set 1.1: A 786 THR OG1 : rot 115:sc=8.43e-05 USER MOD Set 1.2: A 841 TYR OH : rot 30:sc= -0.536 USER MOD Single : A 788 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 791 TYR OH : rot 180:sc= 0 USER MOD Single : A 794 CYS SG : rot 180:sc= 0 USER MOD Single : A 799 SER OG : rot 180:sc= 0 USER MOD Single : A 802 SER OG : rot 180:sc= 0 USER MOD Single : A 804 LYS NZ :NH3+ 157:sc= -0.119 (180deg=-0.605) USER MOD Single : A 810 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 813 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 814 LYS NZ :NH3+ -146:sc= -1.68 (180deg=-3.49!) USER MOD Single : A 826 TYR OH : rot 129:sc= 0.951 USER MOD Single : A 834 SER OG : rot 180:sc= 0 USER MOD Single : A 835 ASN : amide:sc=-0.00924 X(o=-0.0092,f=0) USER MOD Single : A 836 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N GLY A 785 3.879 11.066 -6.091 1.00 0.14 N ATOM 64 CA GLY A 785 3.935 12.436 -6.573 1.00 31.31 C ATOM 65 C GLY A 785 4.811 12.542 -7.823 1.00 33.50 C ATOM 66 O GLY A 785 4.507 11.938 -8.851 1.00 0.30 O ATOM 0 HA2 GLY A 785 2.928 12.787 -6.799 1.00 31.31 H new ATOM 0 HA3 GLY A 785 4.331 13.084 -5.791 1.00 31.31 H new ATOM 70 N THR A 786 5.880 13.313 -7.694 1.00 23.34 N ATOM 71 CA THR A 786 6.802 13.505 -8.800 1.00 42.41 C ATOM 72 C THR A 786 8.211 13.791 -8.277 1.00 22.34 C ATOM 73 O THR A 786 8.413 13.930 -7.071 1.00 63.52 O ATOM 74 CB THR A 786 6.247 14.620 -9.689 1.00 62.34 C ATOM 75 OG1 THR A 786 5.778 15.599 -8.767 1.00 2.22 O ATOM 76 CG2 THR A 786 4.990 14.191 -10.449 1.00 40.31 C ATOM 0 H THR A 786 6.128 13.812 -6.840 1.00 23.34 H new ATOM 0 HA THR A 786 6.890 12.601 -9.403 1.00 42.41 H new ATOM 0 HB THR A 786 7.012 14.932 -10.400 1.00 62.34 H new ATOM 0 HG1 THR A 786 6.307 16.418 -8.862 1.00 2.22 H new ATOM 0 HG21 THR A 786 4.637 15.018 -11.065 1.00 40.31 H new ATOM 0 HG22 THR A 786 5.224 13.338 -11.086 1.00 40.31 H new ATOM 0 HG23 THR A 786 4.213 13.910 -9.738 1.00 40.31 H new ATOM 84 N ALA A 787 9.149 13.870 -9.209 1.00 24.32 N ATOM 85 CA ALA A 787 10.534 14.136 -8.857 1.00 32.04 C ATOM 86 C ALA A 787 11.145 15.084 -9.890 1.00 1.30 C ATOM 87 O ALA A 787 11.404 14.688 -11.025 1.00 61.41 O ATOM 88 CB ALA A 787 11.298 12.814 -8.754 1.00 51.41 C ATOM 0 H ALA A 787 8.978 13.755 -10.208 1.00 24.32 H new ATOM 0 HA ALA A 787 10.596 14.624 -7.885 1.00 32.04 H new ATOM 0 HB1 ALA A 787 12.337 13.014 -8.490 1.00 51.41 H new ATOM 0 HB2 ALA A 787 10.842 12.189 -7.986 1.00 51.41 H new ATOM 0 HB3 ALA A 787 11.260 12.296 -9.712 1.00 51.41 H new ATOM 94 N LYS A 788 11.358 16.319 -9.460 1.00 11.22 N ATOM 95 CA LYS A 788 11.934 17.327 -10.334 1.00 11.24 C ATOM 96 C LYS A 788 13.428 17.051 -10.508 1.00 65.44 C ATOM 97 O LYS A 788 14.193 17.122 -9.548 1.00 21.24 O ATOM 98 CB LYS A 788 11.625 18.731 -9.809 1.00 25.14 C ATOM 99 CG LYS A 788 11.433 19.718 -10.962 1.00 32.40 C ATOM 100 CD LYS A 788 10.580 20.911 -10.526 1.00 72.42 C ATOM 101 CE LYS A 788 11.028 22.192 -11.232 1.00 74.14 C ATOM 102 NZ LYS A 788 10.124 23.314 -10.892 1.00 61.25 N ATOM 0 H LYS A 788 11.142 16.645 -8.518 1.00 11.22 H new ATOM 0 HA LYS A 788 11.482 17.275 -11.325 1.00 11.24 H new ATOM 0 HB2 LYS A 788 10.725 18.704 -9.195 1.00 25.14 H new ATOM 0 HB3 LYS A 788 12.438 19.070 -9.167 1.00 25.14 H new ATOM 0 HG2 LYS A 788 12.404 20.069 -11.311 1.00 32.40 H new ATOM 0 HG3 LYS A 788 10.956 19.213 -11.802 1.00 32.40 H new ATOM 0 HD2 LYS A 788 9.532 20.715 -10.751 1.00 72.42 H new ATOM 0 HD3 LYS A 788 10.655 21.041 -9.446 1.00 72.42 H new ATOM 0 HE2 LYS A 788 12.049 22.438 -10.939 1.00 74.14 H new ATOM 0 HE3 LYS A 788 11.035 22.037 -12.311 1.00 74.14 H new ATOM 0 HZ1 LYS A 788 10.442 24.176 -11.379 1.00 61.25 H new ATOM 0 HZ2 LYS A 788 9.156 23.083 -11.193 1.00 61.25 H new ATOM 0 HZ3 LYS A 788 10.138 23.472 -9.864 1.00 61.25 H new ATOM 115 N ALA A 789 13.800 16.741 -11.742 1.00 20.12 N ATOM 116 CA ALA A 789 15.190 16.453 -12.055 1.00 15.21 C ATOM 117 C ALA A 789 16.045 17.681 -11.735 1.00 34.00 C ATOM 118 O ALA A 789 15.703 18.798 -12.122 1.00 21.43 O ATOM 119 CB ALA A 789 15.305 16.028 -13.520 1.00 23.30 C ATOM 0 H ALA A 789 13.163 16.683 -12.537 1.00 20.12 H new ATOM 0 HA ALA A 789 15.558 15.627 -11.446 1.00 15.21 H new ATOM 0 HB1 ALA A 789 16.347 15.812 -13.755 1.00 23.30 H new ATOM 0 HB2 ALA A 789 14.702 15.135 -13.688 1.00 23.30 H new ATOM 0 HB3 ALA A 789 14.948 16.833 -14.162 1.00 23.30 H new ATOM 125 N ARG A 790 17.140 17.433 -11.032 1.00 32.31 N ATOM 126 CA ARG A 790 18.046 18.504 -10.656 1.00 4.15 C ATOM 127 C ARG A 790 19.303 18.467 -11.528 1.00 53.40 C ATOM 128 O ARG A 790 20.154 19.350 -11.434 1.00 1.11 O ATOM 129 CB ARG A 790 18.452 18.391 -9.185 1.00 12.24 C ATOM 130 CG ARG A 790 17.281 18.742 -8.265 1.00 12.54 C ATOM 131 CD ARG A 790 16.906 20.220 -8.395 1.00 15.14 C ATOM 132 NE ARG A 790 18.110 21.064 -8.232 1.00 0.44 N ATOM 133 CZ ARG A 790 18.655 21.383 -7.038 1.00 65.35 C ATOM 134 NH1 ARG A 790 18.107 20.929 -5.891 1.00 62.45 N ATOM 135 NH2 ARG A 790 19.733 22.145 -7.010 1.00 71.22 N ATOM 0 H ARG A 790 17.420 16.506 -10.713 1.00 32.31 H new ATOM 0 HA ARG A 790 17.523 19.448 -10.806 1.00 4.15 H new ATOM 0 HB2 ARG A 790 18.793 17.377 -8.975 1.00 12.24 H new ATOM 0 HB3 ARG A 790 19.290 19.058 -8.983 1.00 12.24 H new ATOM 0 HG2 ARG A 790 16.420 18.121 -8.513 1.00 12.54 H new ATOM 0 HG3 ARG A 790 17.547 18.520 -7.231 1.00 12.54 H new ATOM 0 HD2 ARG A 790 16.452 20.404 -9.369 1.00 15.14 H new ATOM 0 HD3 ARG A 790 16.163 20.483 -7.642 1.00 15.14 H new ATOM 0 HE ARG A 790 18.556 21.428 -9.074 1.00 0.44 H new ATOM 0 HH11 ARG A 790 17.275 20.340 -5.922 1.00 62.45 H new ATOM 0 HH12 ARG A 790 18.525 21.175 -4.994 1.00 62.45 H new ATOM 0 HH21 ARG A 790 20.141 22.483 -7.881 1.00 71.22 H new ATOM 0 HH22 ARG A 790 20.157 22.396 -6.117 1.00 71.22 H new ATOM 148 N TYR A 791 19.379 17.437 -12.357 1.00 74.13 N ATOM 149 CA TYR A 791 20.517 17.274 -13.246 1.00 33.42 C ATOM 150 C TYR A 791 20.159 16.382 -14.437 1.00 11.31 C ATOM 151 O TYR A 791 19.634 15.284 -14.259 1.00 42.05 O ATOM 152 CB TYR A 791 21.603 16.585 -12.417 1.00 42.23 C ATOM 153 CG TYR A 791 21.875 17.255 -11.069 1.00 24.11 C ATOM 154 CD1 TYR A 791 21.158 16.875 -9.953 1.00 11.45 C ATOM 155 CD2 TYR A 791 22.838 18.238 -10.969 1.00 2.53 C ATOM 156 CE1 TYR A 791 21.414 17.506 -8.683 1.00 61.34 C ATOM 157 CE2 TYR A 791 23.094 18.869 -9.700 1.00 24.24 C ATOM 158 CZ TYR A 791 22.370 18.471 -8.620 1.00 13.24 C ATOM 159 OH TYR A 791 22.612 19.066 -7.421 1.00 14.51 O ATOM 0 H TYR A 791 18.671 16.707 -12.432 1.00 74.13 H new ATOM 0 HA TYR A 791 20.839 18.238 -13.639 1.00 33.42 H new ATOM 0 HB2 TYR A 791 21.311 15.549 -12.244 1.00 42.23 H new ATOM 0 HB3 TYR A 791 22.528 16.564 -12.994 1.00 42.23 H new ATOM 0 HD1 TYR A 791 20.405 16.105 -10.031 1.00 11.45 H new ATOM 0 HD2 TYR A 791 23.400 18.534 -11.842 1.00 2.53 H new ATOM 0 HE1 TYR A 791 20.859 17.219 -7.802 1.00 61.34 H new ATOM 0 HE2 TYR A 791 23.844 19.641 -9.608 1.00 24.24 H new ATOM 0 HH TYR A 791 23.321 19.735 -7.525 1.00 14.51 H new ATOM 169 N ASP A 792 20.457 16.888 -15.624 1.00 41.55 N ATOM 170 CA ASP A 792 20.174 16.152 -16.845 1.00 15.05 C ATOM 171 C ASP A 792 20.911 14.812 -16.810 1.00 4.25 C ATOM 172 O ASP A 792 22.128 14.774 -16.632 1.00 70.15 O ATOM 173 CB ASP A 792 20.651 16.923 -18.077 1.00 22.32 C ATOM 174 CG ASP A 792 22.039 17.554 -17.947 1.00 11.12 C ATOM 175 OD1 ASP A 792 22.821 17.199 -17.053 1.00 21.53 O ATOM 176 OD2 ASP A 792 22.310 18.460 -18.824 1.00 50.02 O ATOM 0 H ASP A 792 20.892 17.799 -15.767 1.00 41.55 H new ATOM 0 HA ASP A 792 19.096 16.005 -16.908 1.00 15.05 H new ATOM 0 HB2 ASP A 792 20.654 16.246 -18.932 1.00 22.32 H new ATOM 0 HB3 ASP A 792 19.930 17.710 -18.296 1.00 22.32 H new ATOM 182 N PHE A 793 20.144 13.746 -16.981 1.00 61.22 N ATOM 183 CA PHE A 793 20.710 12.407 -16.971 1.00 52.44 C ATOM 184 C PHE A 793 20.591 11.752 -18.349 1.00 22.11 C ATOM 185 O PHE A 793 19.487 11.494 -18.824 1.00 75.14 O ATOM 186 CB PHE A 793 19.905 11.589 -15.959 1.00 43.25 C ATOM 187 CG PHE A 793 20.708 10.480 -15.277 1.00 64.33 C ATOM 188 CD1 PHE A 793 21.975 10.724 -14.845 1.00 54.21 C ATOM 189 CD2 PHE A 793 20.156 9.249 -15.103 1.00 42.22 C ATOM 190 CE1 PHE A 793 22.720 9.695 -14.212 1.00 71.41 C ATOM 191 CE2 PHE A 793 20.902 8.220 -14.470 1.00 75.53 C ATOM 192 CZ PHE A 793 22.168 8.464 -14.038 1.00 53.01 C ATOM 0 H PHE A 793 19.135 13.782 -17.127 1.00 61.22 H new ATOM 0 HA PHE A 793 21.767 12.451 -16.709 1.00 52.44 H new ATOM 0 HB2 PHE A 793 19.511 12.260 -15.196 1.00 43.25 H new ATOM 0 HB3 PHE A 793 19.048 11.144 -16.466 1.00 43.25 H new ATOM 0 HD1 PHE A 793 22.414 11.701 -14.984 1.00 54.21 H new ATOM 0 HD2 PHE A 793 19.151 9.054 -15.446 1.00 42.22 H new ATOM 0 HE1 PHE A 793 23.725 9.889 -13.868 1.00 71.41 H new ATOM 0 HE2 PHE A 793 20.464 7.243 -14.332 1.00 75.53 H new ATOM 0 HZ PHE A 793 22.735 7.681 -13.557 1.00 53.01 H new ATOM 202 N CYS A 794 21.744 11.501 -18.951 1.00 5.31 N ATOM 203 CA CYS A 794 21.784 10.881 -20.264 1.00 72.13 C ATOM 204 C CYS A 794 21.687 9.365 -20.082 1.00 64.15 C ATOM 205 O CYS A 794 22.624 8.734 -19.595 1.00 31.22 O ATOM 206 CB CYS A 794 23.038 11.284 -21.043 1.00 32.22 C ATOM 207 SG CYS A 794 23.140 13.107 -21.165 1.00 32.11 S ATOM 0 H CYS A 794 22.658 11.716 -18.553 1.00 5.31 H new ATOM 0 HA CYS A 794 20.940 11.229 -20.859 1.00 72.13 H new ATOM 0 HB2 CYS A 794 23.926 10.894 -20.545 1.00 32.22 H new ATOM 0 HB3 CYS A 794 23.013 10.845 -22.041 1.00 32.22 H new ATOM 0 HG CYS A 794 24.209 13.439 -21.826 1.00 32.11 H new ATOM 213 N ALA A 795 20.547 8.824 -20.484 1.00 54.13 N ATOM 214 CA ALA A 795 20.316 7.394 -20.372 1.00 33.12 C ATOM 215 C ALA A 795 21.307 6.650 -21.269 1.00 31.43 C ATOM 216 O ALA A 795 21.089 6.526 -22.473 1.00 15.51 O ATOM 217 CB ALA A 795 18.861 7.082 -20.727 1.00 15.13 C ATOM 0 H ALA A 795 19.772 9.351 -20.888 1.00 54.13 H new ATOM 0 HA ALA A 795 20.481 7.058 -19.348 1.00 33.12 H new ATOM 0 HB1 ALA A 795 18.688 6.009 -20.643 1.00 15.13 H new ATOM 0 HB2 ALA A 795 18.198 7.611 -20.043 1.00 15.13 H new ATOM 0 HB3 ALA A 795 18.659 7.403 -21.749 1.00 15.13 H new ATOM 223 N ARG A 796 22.375 6.173 -20.647 1.00 64.32 N ATOM 224 CA ARG A 796 23.401 5.444 -21.374 1.00 71.21 C ATOM 225 C ARG A 796 22.821 4.156 -21.962 1.00 31.54 C ATOM 226 O ARG A 796 23.301 3.663 -22.982 1.00 12.34 O ATOM 227 CB ARG A 796 24.579 5.095 -20.463 1.00 4.21 C ATOM 228 CG ARG A 796 24.108 4.325 -19.228 1.00 24.13 C ATOM 229 CD ARG A 796 25.295 3.729 -18.468 1.00 20.51 C ATOM 230 NE ARG A 796 25.898 4.753 -17.586 1.00 41.05 N ATOM 231 CZ ARG A 796 26.848 5.627 -17.982 1.00 22.05 C ATOM 232 NH1 ARG A 796 27.312 5.608 -19.249 1.00 62.11 N ATOM 233 NH2 ARG A 796 27.317 6.500 -17.110 1.00 13.43 N ATOM 0 H ARG A 796 22.552 6.277 -19.648 1.00 64.32 H new ATOM 0 HA ARG A 796 23.757 6.087 -22.179 1.00 71.21 H new ATOM 0 HB2 ARG A 796 25.305 4.497 -21.014 1.00 4.21 H new ATOM 0 HB3 ARG A 796 25.088 6.008 -20.154 1.00 4.21 H new ATOM 0 HG2 ARG A 796 23.548 4.991 -18.571 1.00 24.13 H new ATOM 0 HG3 ARG A 796 23.427 3.529 -19.529 1.00 24.13 H new ATOM 0 HD2 ARG A 796 24.966 2.875 -17.876 1.00 20.51 H new ATOM 0 HD3 ARG A 796 26.040 3.360 -19.173 1.00 20.51 H new ATOM 0 HE ARG A 796 25.576 4.802 -16.619 1.00 41.05 H new ATOM 0 HH11 ARG A 796 26.945 4.930 -19.916 1.00 62.11 H new ATOM 0 HH12 ARG A 796 28.030 6.272 -19.539 1.00 62.11 H new ATOM 0 HH21 ARG A 796 26.962 6.507 -16.154 1.00 13.43 H new ATOM 0 HH22 ARG A 796 28.035 7.167 -17.392 1.00 13.43 H new ATOM 246 N ASP A 797 21.797 3.646 -21.293 1.00 0.35 N ATOM 247 CA ASP A 797 21.147 2.425 -21.736 1.00 34.24 C ATOM 248 C ASP A 797 19.629 2.601 -21.651 1.00 61.24 C ATOM 249 O ASP A 797 19.145 3.621 -21.165 1.00 10.45 O ATOM 250 CB ASP A 797 21.535 1.241 -20.848 1.00 22.20 C ATOM 251 CG ASP A 797 22.974 0.749 -21.019 1.00 51.11 C ATOM 252 OD1 ASP A 797 23.682 0.492 -20.034 1.00 62.34 O ATOM 253 OD2 ASP A 797 23.368 0.631 -22.242 1.00 11.32 O ATOM 0 H ASP A 797 21.402 4.057 -20.447 1.00 0.35 H new ATOM 0 HA ASP A 797 21.463 2.227 -22.760 1.00 34.24 H new ATOM 0 HB2 ASP A 797 21.385 1.523 -19.806 1.00 22.20 H new ATOM 0 HB3 ASP A 797 20.857 0.413 -21.055 1.00 22.20 H new ATOM 259 N ARG A 798 18.921 1.590 -22.133 1.00 53.23 N ATOM 260 CA ARG A 798 17.468 1.620 -22.119 1.00 10.43 C ATOM 261 C ARG A 798 16.944 1.298 -20.718 1.00 24.03 C ATOM 262 O ARG A 798 15.741 1.362 -20.471 1.00 1.31 O ATOM 263 CB ARG A 798 16.886 0.617 -23.117 1.00 2.15 C ATOM 264 CG ARG A 798 15.465 1.011 -23.525 1.00 45.33 C ATOM 265 CD ARG A 798 15.436 2.424 -24.112 1.00 12.22 C ATOM 266 NE ARG A 798 14.229 2.598 -24.951 1.00 45.43 N ATOM 267 CZ ARG A 798 14.170 2.289 -26.264 1.00 52.31 C ATOM 268 NH1 ARG A 798 15.250 1.787 -26.899 1.00 72.24 N ATOM 269 NH2 ARG A 798 13.040 2.486 -26.917 1.00 73.02 N ATOM 0 H ARG A 798 19.326 0.745 -22.536 1.00 53.23 H new ATOM 0 HA ARG A 798 17.155 2.624 -22.406 1.00 10.43 H new ATOM 0 HB2 ARG A 798 17.522 0.568 -24.001 1.00 2.15 H new ATOM 0 HB3 ARG A 798 16.878 -0.379 -22.674 1.00 2.15 H new ATOM 0 HG2 ARG A 798 15.083 0.301 -24.258 1.00 45.33 H new ATOM 0 HG3 ARG A 798 14.806 0.960 -22.658 1.00 45.33 H new ATOM 0 HD2 ARG A 798 15.440 3.161 -23.309 1.00 12.22 H new ATOM 0 HD3 ARG A 798 16.332 2.598 -24.708 1.00 12.22 H new ATOM 0 HE ARG A 798 13.390 2.975 -24.510 1.00 45.43 H new ATOM 0 HH11 ARG A 798 16.119 1.638 -26.387 1.00 72.24 H new ATOM 0 HH12 ARG A 798 15.197 1.556 -27.891 1.00 72.24 H new ATOM 0 HH21 ARG A 798 12.229 2.866 -26.429 1.00 73.02 H new ATOM 0 HH22 ARG A 798 12.978 2.258 -27.909 1.00 73.02 H new ATOM 282 N SER A 799 17.874 0.958 -19.837 1.00 40.10 N ATOM 283 CA SER A 799 17.521 0.625 -18.467 1.00 43.52 C ATOM 284 C SER A 799 17.483 1.895 -17.614 1.00 20.22 C ATOM 285 O SER A 799 17.049 1.861 -16.464 1.00 35.14 O ATOM 286 CB SER A 799 18.507 -0.383 -17.874 1.00 70.32 C ATOM 287 OG SER A 799 19.856 0.063 -17.980 1.00 1.22 O ATOM 0 H SER A 799 18.871 0.906 -20.045 1.00 40.10 H new ATOM 0 HA SER A 799 16.532 0.166 -18.470 1.00 43.52 H new ATOM 0 HB2 SER A 799 18.263 -0.554 -16.825 1.00 70.32 H new ATOM 0 HB3 SER A 799 18.400 -1.339 -18.387 1.00 70.32 H new ATOM 0 HG SER A 799 20.454 -0.608 -17.589 1.00 1.22 H new ATOM 293 N GLU A 800 17.944 2.985 -18.210 1.00 74.52 N ATOM 294 CA GLU A 800 17.967 4.263 -17.519 1.00 65.42 C ATOM 295 C GLU A 800 16.855 5.171 -18.045 1.00 54.32 C ATOM 296 O GLU A 800 16.335 4.953 -19.139 1.00 4.52 O ATOM 297 CB GLU A 800 19.335 4.935 -17.657 1.00 20.34 C ATOM 298 CG GLU A 800 19.340 6.310 -16.987 1.00 13.31 C ATOM 299 CD GLU A 800 20.759 6.877 -16.907 1.00 72.45 C ATOM 300 OE1 GLU A 800 21.670 6.199 -16.408 1.00 54.23 O ATOM 301 OE2 GLU A 800 20.899 8.065 -17.389 1.00 2.34 O ATOM 0 H GLU A 800 18.305 3.009 -19.164 1.00 74.52 H new ATOM 0 HA GLU A 800 17.791 4.084 -16.458 1.00 65.42 H new ATOM 0 HB2 GLU A 800 20.101 4.304 -17.206 1.00 20.34 H new ATOM 0 HB3 GLU A 800 19.588 5.040 -18.712 1.00 20.34 H new ATOM 0 HG2 GLU A 800 18.703 6.994 -17.548 1.00 13.31 H new ATOM 0 HG3 GLU A 800 18.919 6.231 -15.985 1.00 13.31 H new ATOM 309 N LEU A 801 16.521 6.171 -17.242 1.00 22.31 N ATOM 310 CA LEU A 801 15.479 7.113 -17.613 1.00 4.42 C ATOM 311 C LEU A 801 16.122 8.429 -18.055 1.00 44.41 C ATOM 312 O LEU A 801 17.082 8.893 -17.441 1.00 21.31 O ATOM 313 CB LEU A 801 14.472 7.274 -16.473 1.00 35.11 C ATOM 314 CG LEU A 801 13.018 7.504 -16.891 1.00 13.44 C ATOM 315 CD1 LEU A 801 12.125 7.727 -15.668 1.00 40.44 C ATOM 316 CD2 LEU A 801 12.911 8.653 -17.895 1.00 45.33 C ATOM 0 H LEU A 801 16.954 6.349 -16.336 1.00 22.31 H new ATOM 0 HA LEU A 801 14.908 6.735 -18.461 1.00 4.42 H new ATOM 0 HB2 LEU A 801 14.513 6.381 -15.849 1.00 35.11 H new ATOM 0 HB3 LEU A 801 14.788 8.112 -15.851 1.00 35.11 H new ATOM 0 HG LEU A 801 12.660 6.604 -17.392 1.00 13.44 H new ATOM 0 HD11 LEU A 801 11.097 7.888 -15.993 1.00 40.44 H new ATOM 0 HD12 LEU A 801 12.168 6.851 -15.021 1.00 40.44 H new ATOM 0 HD13 LEU A 801 12.473 8.601 -15.118 1.00 40.44 H new ATOM 0 HD21 LEU A 801 11.867 8.795 -18.175 1.00 45.33 H new ATOM 0 HD22 LEU A 801 13.293 9.568 -17.443 1.00 45.33 H new ATOM 0 HD23 LEU A 801 13.496 8.416 -18.783 1.00 45.33 H new ATOM 328 N SER A 802 15.568 8.994 -19.117 1.00 55.43 N ATOM 329 CA SER A 802 16.075 10.248 -19.649 1.00 32.01 C ATOM 330 C SER A 802 15.553 11.420 -18.815 1.00 34.41 C ATOM 331 O SER A 802 14.371 11.754 -18.879 1.00 53.13 O ATOM 332 CB SER A 802 15.680 10.424 -21.117 1.00 20.34 C ATOM 333 OG SER A 802 15.533 11.797 -21.469 1.00 74.51 O ATOM 0 H SER A 802 14.772 8.607 -19.624 1.00 55.43 H new ATOM 0 HA SER A 802 17.163 10.227 -19.594 1.00 32.01 H new ATOM 0 HB2 SER A 802 16.437 9.965 -21.754 1.00 20.34 H new ATOM 0 HB3 SER A 802 14.744 9.899 -21.306 1.00 20.34 H new ATOM 0 HG SER A 802 15.282 11.867 -22.414 1.00 74.51 H new ATOM 339 N LEU A 803 16.459 12.011 -18.051 1.00 43.00 N ATOM 340 CA LEU A 803 16.105 13.138 -17.205 1.00 41.22 C ATOM 341 C LEU A 803 16.538 14.438 -17.887 1.00 30.31 C ATOM 342 O LEU A 803 17.400 14.425 -18.764 1.00 3.30 O ATOM 343 CB LEU A 803 16.685 12.957 -15.801 1.00 42.50 C ATOM 344 CG LEU A 803 15.810 12.192 -14.807 1.00 34.01 C ATOM 345 CD1 LEU A 803 14.920 11.177 -15.528 1.00 3.21 C ATOM 346 CD2 LEU A 803 16.661 11.536 -13.718 1.00 1.20 C ATOM 0 H LEU A 803 17.438 11.731 -18.000 1.00 43.00 H new ATOM 0 HA LEU A 803 15.024 13.191 -17.074 1.00 41.22 H new ATOM 0 HB2 LEU A 803 17.640 12.438 -15.888 1.00 42.50 H new ATOM 0 HB3 LEU A 803 16.894 13.943 -15.386 1.00 42.50 H new ATOM 0 HG LEU A 803 15.150 12.906 -14.313 1.00 34.01 H new ATOM 0 HD11 LEU A 803 14.308 10.647 -14.798 1.00 3.21 H new ATOM 0 HD12 LEU A 803 14.273 11.697 -16.234 1.00 3.21 H new ATOM 0 HD13 LEU A 803 15.544 10.463 -16.066 1.00 3.21 H new ATOM 0 HD21 LEU A 803 16.014 10.999 -13.025 1.00 1.20 H new ATOM 0 HD22 LEU A 803 17.362 10.838 -14.175 1.00 1.20 H new ATOM 0 HD23 LEU A 803 17.214 12.304 -13.177 1.00 1.20 H new ATOM 358 N LYS A 804 15.920 15.528 -17.458 1.00 35.01 N ATOM 359 CA LYS A 804 16.230 16.833 -18.016 1.00 41.20 C ATOM 360 C LYS A 804 15.889 17.916 -16.990 1.00 64.10 C ATOM 361 O LYS A 804 14.720 18.136 -16.679 1.00 72.42 O ATOM 362 CB LYS A 804 15.529 17.020 -19.363 1.00 45.32 C ATOM 363 CG LYS A 804 16.352 17.919 -20.289 1.00 22.30 C ATOM 364 CD LYS A 804 15.956 19.387 -20.122 1.00 43.10 C ATOM 365 CE LYS A 804 16.645 20.263 -21.170 1.00 5.41 C ATOM 366 NZ LYS A 804 16.255 19.844 -22.534 1.00 72.24 N ATOM 0 H LYS A 804 15.206 15.534 -16.730 1.00 35.01 H new ATOM 0 HA LYS A 804 17.297 16.915 -18.224 1.00 41.20 H new ATOM 0 HB2 LYS A 804 15.375 16.050 -19.835 1.00 45.32 H new ATOM 0 HB3 LYS A 804 14.543 17.458 -19.206 1.00 45.32 H new ATOM 0 HG2 LYS A 804 17.413 17.798 -20.071 1.00 22.30 H new ATOM 0 HG3 LYS A 804 16.203 17.614 -21.325 1.00 22.30 H new ATOM 0 HD2 LYS A 804 14.874 19.488 -20.212 1.00 43.10 H new ATOM 0 HD3 LYS A 804 16.226 19.729 -19.123 1.00 43.10 H new ATOM 0 HE2 LYS A 804 16.376 21.307 -21.013 1.00 5.41 H new ATOM 0 HE3 LYS A 804 17.727 20.192 -21.057 1.00 5.41 H new ATOM 0 HZ1 LYS A 804 16.391 20.637 -23.193 1.00 72.24 H new ATOM 0 HZ2 LYS A 804 16.844 19.041 -22.832 1.00 72.24 H new ATOM 0 HZ3 LYS A 804 15.255 19.559 -22.537 1.00 72.24 H new ATOM 379 N GLU A 805 16.933 18.564 -16.492 1.00 75.35 N ATOM 380 CA GLU A 805 16.759 19.618 -15.508 1.00 14.20 C ATOM 381 C GLU A 805 15.527 20.461 -15.845 1.00 41.32 C ATOM 382 O GLU A 805 15.301 20.800 -17.006 1.00 31.41 O ATOM 383 CB GLU A 805 18.011 20.491 -15.412 1.00 43.35 C ATOM 384 CG GLU A 805 19.064 19.843 -14.510 1.00 53.44 C ATOM 385 CD GLU A 805 20.477 20.219 -14.960 1.00 2.02 C ATOM 386 OE1 GLU A 805 21.372 20.385 -14.117 1.00 51.35 O ATOM 387 OE2 GLU A 805 20.631 20.336 -16.235 1.00 53.43 O ATOM 0 H GLU A 805 17.902 18.379 -16.752 1.00 75.35 H new ATOM 0 HA GLU A 805 16.603 19.156 -14.533 1.00 14.20 H new ATOM 0 HB2 GLU A 805 18.427 20.648 -16.407 1.00 43.35 H new ATOM 0 HB3 GLU A 805 17.745 21.472 -15.019 1.00 43.35 H new ATOM 0 HG2 GLU A 805 18.910 20.161 -13.479 1.00 53.44 H new ATOM 0 HG3 GLU A 805 18.948 18.759 -14.530 1.00 53.44 H new ATOM 395 N GLY A 806 14.763 20.776 -14.809 1.00 44.33 N ATOM 396 CA GLY A 806 13.561 21.573 -14.981 1.00 52.42 C ATOM 397 C GLY A 806 12.373 20.695 -15.378 1.00 73.14 C ATOM 398 O GLY A 806 11.300 21.204 -15.701 1.00 65.44 O ATOM 0 H GLY A 806 14.954 20.493 -13.848 1.00 44.33 H new ATOM 0 HA2 GLY A 806 13.334 22.100 -14.054 1.00 52.42 H new ATOM 0 HA3 GLY A 806 13.729 22.331 -15.746 1.00 52.42 H new ATOM 402 N ASP A 807 12.604 19.391 -15.341 1.00 74.23 N ATOM 403 CA ASP A 807 11.566 18.437 -15.693 1.00 72.34 C ATOM 404 C ASP A 807 11.108 17.700 -14.433 1.00 72.32 C ATOM 405 O ASP A 807 11.814 17.686 -13.426 1.00 42.53 O ATOM 406 CB ASP A 807 12.088 17.396 -16.686 1.00 50.20 C ATOM 407 CG ASP A 807 12.492 17.952 -18.053 1.00 54.11 C ATOM 408 OD1 ASP A 807 12.355 17.276 -19.083 1.00 61.43 O ATOM 409 OD2 ASP A 807 12.971 19.150 -18.035 1.00 32.33 O ATOM 0 H ASP A 807 13.495 18.973 -15.073 1.00 74.23 H new ATOM 0 HA ASP A 807 10.742 18.988 -16.147 1.00 72.34 H new ATOM 0 HB2 ASP A 807 12.950 16.895 -16.245 1.00 50.20 H new ATOM 0 HB3 ASP A 807 11.319 16.637 -16.832 1.00 50.20 H new ATOM 415 N ILE A 808 9.928 17.104 -14.530 1.00 42.43 N ATOM 416 CA ILE A 808 9.368 16.367 -13.411 1.00 14.13 C ATOM 417 C ILE A 808 9.330 14.877 -13.755 1.00 21.25 C ATOM 418 O ILE A 808 9.061 14.506 -14.896 1.00 44.02 O ATOM 419 CB ILE A 808 8.005 16.942 -13.019 1.00 0.32 C ATOM 420 CG1 ILE A 808 7.285 17.526 -14.237 1.00 24.44 C ATOM 421 CG2 ILE A 808 8.146 17.967 -11.891 1.00 61.23 C ATOM 422 CD1 ILE A 808 7.801 18.930 -14.557 1.00 52.04 C ATOM 0 H ILE A 808 9.345 17.117 -15.367 1.00 42.43 H new ATOM 0 HA ILE A 808 10.000 16.475 -12.529 1.00 14.13 H new ATOM 0 HB ILE A 808 7.387 16.128 -12.639 1.00 0.32 H new ATOM 0 HG12 ILE A 808 7.433 16.875 -15.098 1.00 24.44 H new ATOM 0 HG13 ILE A 808 6.212 17.563 -14.047 1.00 24.44 H new ATOM 0 HG21 ILE A 808 7.163 18.360 -11.632 1.00 61.23 H new ATOM 0 HG22 ILE A 808 8.587 17.488 -11.017 1.00 61.23 H new ATOM 0 HG23 ILE A 808 8.788 18.784 -12.220 1.00 61.23 H new ATOM 0 HD11 ILE A 808 7.273 19.322 -15.426 1.00 52.04 H new ATOM 0 HD12 ILE A 808 7.629 19.584 -13.702 1.00 52.04 H new ATOM 0 HD13 ILE A 808 8.869 18.885 -14.771 1.00 52.04 H new ATOM 434 N ILE A 809 9.604 14.062 -12.746 1.00 14.41 N ATOM 435 CA ILE A 809 9.605 12.621 -12.927 1.00 74.31 C ATOM 436 C ILE A 809 8.423 12.015 -12.167 1.00 71.33 C ATOM 437 O ILE A 809 8.375 12.071 -10.939 1.00 63.05 O ATOM 438 CB ILE A 809 10.959 12.031 -12.529 1.00 2.53 C ATOM 439 CG1 ILE A 809 11.983 12.203 -13.652 1.00 65.13 C ATOM 440 CG2 ILE A 809 10.817 10.569 -12.101 1.00 53.40 C ATOM 441 CD1 ILE A 809 12.609 13.599 -13.616 1.00 32.20 C ATOM 0 H ILE A 809 9.827 14.373 -11.801 1.00 14.41 H new ATOM 0 HA ILE A 809 9.471 12.370 -13.979 1.00 74.31 H new ATOM 0 HB ILE A 809 11.331 12.583 -11.666 1.00 2.53 H new ATOM 0 HG12 ILE A 809 12.763 11.448 -13.556 1.00 65.13 H new ATOM 0 HG13 ILE A 809 11.501 12.042 -14.616 1.00 65.13 H new ATOM 0 HG21 ILE A 809 11.794 10.175 -11.823 1.00 53.40 H new ATOM 0 HG22 ILE A 809 10.143 10.504 -11.247 1.00 53.40 H new ATOM 0 HG23 ILE A 809 10.412 9.986 -12.928 1.00 53.40 H new ATOM 0 HD11 ILE A 809 13.333 13.694 -14.425 1.00 32.20 H new ATOM 0 HD12 ILE A 809 11.829 14.351 -13.737 1.00 32.20 H new ATOM 0 HD13 ILE A 809 13.111 13.748 -12.660 1.00 32.20 H new ATOM 453 N LYS A 810 7.498 11.449 -12.929 1.00 42.00 N ATOM 454 CA LYS A 810 6.320 10.833 -12.343 1.00 12.21 C ATOM 455 C LYS A 810 6.731 9.559 -11.602 1.00 54.11 C ATOM 456 O LYS A 810 7.177 8.594 -12.220 1.00 45.02 O ATOM 457 CB LYS A 810 5.247 10.605 -13.410 1.00 44.41 C ATOM 458 CG LYS A 810 4.147 9.676 -12.892 1.00 43.44 C ATOM 459 CD LYS A 810 3.711 10.076 -11.482 1.00 0.35 C ATOM 460 CE LYS A 810 2.229 9.770 -11.259 1.00 14.33 C ATOM 461 NZ LYS A 810 1.915 9.752 -9.812 1.00 53.55 N ATOM 0 H LYS A 810 7.541 11.404 -13.947 1.00 42.00 H new ATOM 0 HA LYS A 810 5.868 11.499 -11.607 1.00 12.21 H new ATOM 0 HB2 LYS A 810 4.812 11.560 -13.704 1.00 44.41 H new ATOM 0 HB3 LYS A 810 5.702 10.174 -14.302 1.00 44.41 H new ATOM 0 HG2 LYS A 810 3.290 9.710 -13.565 1.00 43.44 H new ATOM 0 HG3 LYS A 810 4.507 8.647 -12.887 1.00 43.44 H new ATOM 0 HD2 LYS A 810 4.311 9.541 -10.746 1.00 0.35 H new ATOM 0 HD3 LYS A 810 3.893 11.140 -11.329 1.00 0.35 H new ATOM 0 HE2 LYS A 810 1.617 10.520 -11.761 1.00 14.33 H new ATOM 0 HE3 LYS A 810 1.980 8.806 -11.703 1.00 14.33 H new ATOM 0 HZ1 LYS A 810 0.905 9.543 -9.679 1.00 53.55 H new ATOM 0 HZ2 LYS A 810 2.485 9.020 -9.342 1.00 53.55 H new ATOM 0 HZ3 LYS A 810 2.134 10.680 -9.398 1.00 53.55 H new ATOM 474 N ILE A 811 6.565 9.597 -10.288 1.00 53.22 N ATOM 475 CA ILE A 811 6.913 8.458 -9.457 1.00 33.45 C ATOM 476 C ILE A 811 5.854 7.366 -9.626 1.00 63.21 C ATOM 477 O ILE A 811 4.662 7.621 -9.464 1.00 1.50 O ATOM 478 CB ILE A 811 7.117 8.896 -8.005 1.00 12.10 C ATOM 479 CG1 ILE A 811 8.025 10.125 -7.926 1.00 31.00 C ATOM 480 CG2 ILE A 811 7.642 7.740 -7.152 1.00 34.34 C ATOM 481 CD1 ILE A 811 9.466 9.766 -8.292 1.00 64.11 C ATOM 0 H ILE A 811 6.194 10.399 -9.779 1.00 53.22 H new ATOM 0 HA ILE A 811 7.865 8.032 -9.774 1.00 33.45 H new ATOM 0 HB ILE A 811 6.149 9.184 -7.596 1.00 12.10 H new ATOM 0 HG12 ILE A 811 7.656 10.898 -8.600 1.00 31.00 H new ATOM 0 HG13 ILE A 811 7.994 10.540 -6.919 1.00 31.00 H new ATOM 0 HG21 ILE A 811 7.778 8.078 -6.125 1.00 34.34 H new ATOM 0 HG22 ILE A 811 6.926 6.919 -7.172 1.00 34.34 H new ATOM 0 HG23 ILE A 811 8.597 7.398 -7.551 1.00 34.34 H new ATOM 0 HD11 ILE A 811 10.090 10.657 -8.228 1.00 64.11 H new ATOM 0 HD12 ILE A 811 9.840 9.011 -7.601 1.00 64.11 H new ATOM 0 HD13 ILE A 811 9.496 9.374 -9.309 1.00 64.11 H new ATOM 493 N LEU A 812 6.328 6.172 -9.950 1.00 64.13 N ATOM 494 CA LEU A 812 5.438 5.040 -10.144 1.00 12.24 C ATOM 495 C LEU A 812 5.760 3.961 -9.108 1.00 72.44 C ATOM 496 O LEU A 812 4.856 3.331 -8.562 1.00 32.44 O ATOM 497 CB LEU A 812 5.506 4.545 -11.590 1.00 3.42 C ATOM 498 CG LEU A 812 5.614 5.629 -12.665 1.00 33.30 C ATOM 499 CD1 LEU A 812 6.452 5.144 -13.849 1.00 43.43 C ATOM 500 CD2 LEU A 812 4.228 6.107 -13.102 1.00 14.23 C ATOM 0 H LEU A 812 7.318 5.964 -10.083 1.00 64.13 H new ATOM 0 HA LEU A 812 4.402 5.338 -9.983 1.00 12.24 H new ATOM 0 HB2 LEU A 812 6.364 3.880 -11.685 1.00 3.42 H new ATOM 0 HB3 LEU A 812 4.616 3.949 -11.791 1.00 3.42 H new ATOM 0 HG LEU A 812 6.130 6.487 -12.235 1.00 33.30 H new ATOM 0 HD11 LEU A 812 6.513 5.933 -14.599 1.00 43.43 H new ATOM 0 HD12 LEU A 812 7.455 4.891 -13.505 1.00 43.43 H new ATOM 0 HD13 LEU A 812 5.986 4.262 -14.288 1.00 43.43 H new ATOM 0 HD21 LEU A 812 4.333 6.877 -13.866 1.00 14.23 H new ATOM 0 HD22 LEU A 812 3.665 5.267 -13.508 1.00 14.23 H new ATOM 0 HD23 LEU A 812 3.697 6.518 -12.243 1.00 14.23 H new ATOM 512 N ASN A 813 7.051 3.780 -8.870 1.00 54.35 N ATOM 513 CA ASN A 813 7.503 2.788 -7.911 1.00 21.25 C ATOM 514 C ASN A 813 8.637 3.378 -7.070 1.00 24.40 C ATOM 515 O ASN A 813 9.441 4.163 -7.570 1.00 1.34 O ATOM 516 CB ASN A 813 8.038 1.541 -8.618 1.00 11.11 C ATOM 517 CG ASN A 813 6.934 0.497 -8.799 1.00 50.41 C ATOM 518 OD1 ASN A 813 6.079 0.604 -9.662 1.00 54.15 O ATOM 519 ND2 ASN A 813 7.000 -0.515 -7.939 1.00 42.10 N ATOM 0 H ASN A 813 7.798 4.304 -9.325 1.00 54.35 H new ATOM 0 HA ASN A 813 6.654 2.511 -7.287 1.00 21.25 H new ATOM 0 HB2 ASN A 813 8.446 1.817 -9.591 1.00 11.11 H new ATOM 0 HB3 ASN A 813 8.856 1.113 -8.039 1.00 11.11 H new ATOM 0 HD21 ASN A 813 6.308 -1.263 -7.978 1.00 42.10 H new ATOM 0 HD22 ASN A 813 7.743 -0.543 -7.241 1.00 42.10 H new ATOM 526 N LYS A 814 8.666 2.976 -5.808 1.00 21.12 N ATOM 527 CA LYS A 814 9.689 3.455 -4.893 1.00 74.11 C ATOM 528 C LYS A 814 10.264 2.271 -4.113 1.00 43.14 C ATOM 529 O LYS A 814 9.750 1.910 -3.056 1.00 54.30 O ATOM 530 CB LYS A 814 9.131 4.566 -4.001 1.00 45.32 C ATOM 531 CG LYS A 814 9.332 5.939 -4.646 1.00 41.21 C ATOM 532 CD LYS A 814 9.485 7.028 -3.582 1.00 31.21 C ATOM 533 CE LYS A 814 8.132 7.383 -2.963 1.00 54.52 C ATOM 534 NZ LYS A 814 7.371 8.281 -3.861 1.00 42.40 N ATOM 0 H LYS A 814 7.998 2.324 -5.397 1.00 21.12 H new ATOM 0 HA LYS A 814 10.514 3.905 -5.445 1.00 74.11 H new ATOM 0 HB2 LYS A 814 8.069 4.396 -3.823 1.00 45.32 H new ATOM 0 HB3 LYS A 814 9.625 4.540 -3.030 1.00 45.32 H new ATOM 0 HG2 LYS A 814 10.217 5.920 -5.282 1.00 41.21 H new ATOM 0 HG3 LYS A 814 8.483 6.171 -5.289 1.00 41.21 H new ATOM 0 HD2 LYS A 814 10.167 6.687 -2.803 1.00 31.21 H new ATOM 0 HD3 LYS A 814 9.930 7.918 -4.028 1.00 31.21 H new ATOM 0 HE2 LYS A 814 7.560 6.474 -2.778 1.00 54.52 H new ATOM 0 HE3 LYS A 814 8.283 7.866 -1.998 1.00 54.52 H new ATOM 0 HZ1 LYS A 814 6.807 8.945 -3.292 1.00 42.40 H new ATOM 0 HZ2 LYS A 814 8.033 8.814 -4.461 1.00 42.40 H new ATOM 0 HZ3 LYS A 814 6.738 7.716 -4.462 1.00 42.40 H new ATOM 609 N GLY A 819 19.052 3.771 -3.550 1.00 32.25 N ATOM 610 CA GLY A 819 19.243 3.151 -4.850 1.00 33.33 C ATOM 611 C GLY A 819 18.734 4.060 -5.971 1.00 24.34 C ATOM 612 O GLY A 819 19.358 5.072 -6.284 1.00 40.44 O ATOM 0 HA2 GLY A 819 20.301 2.937 -5.003 1.00 33.33 H new ATOM 0 HA3 GLY A 819 18.716 2.197 -4.883 1.00 33.33 H new ATOM 616 N TRP A 820 17.607 3.665 -6.543 1.00 53.15 N ATOM 617 CA TRP A 820 17.008 4.432 -7.623 1.00 35.42 C ATOM 618 C TRP A 820 15.488 4.387 -7.448 1.00 22.43 C ATOM 619 O TRP A 820 14.980 3.667 -6.590 1.00 34.51 O ATOM 620 CB TRP A 820 17.468 3.911 -8.986 1.00 11.41 C ATOM 621 CG TRP A 820 17.096 2.451 -9.253 1.00 4.44 C ATOM 622 CD1 TRP A 820 16.367 1.632 -8.484 1.00 34.05 C ATOM 623 CD2 TRP A 820 17.469 1.666 -10.405 1.00 11.11 C ATOM 624 NE1 TRP A 820 16.242 0.381 -9.053 1.00 51.12 N ATOM 625 CE2 TRP A 820 16.933 0.403 -10.259 1.00 24.32 C ATOM 626 CE3 TRP A 820 18.233 2.012 -11.533 1.00 52.24 C ATOM 627 CZ2 TRP A 820 17.104 -0.616 -11.203 1.00 64.35 C ATOM 628 CZ3 TRP A 820 18.395 0.983 -12.468 1.00 75.42 C ATOM 629 CH2 TRP A 820 17.862 -0.295 -12.336 1.00 1.52 C ATOM 0 H TRP A 820 17.092 2.825 -6.280 1.00 53.15 H new ATOM 0 HA TRP A 820 17.333 5.472 -7.584 1.00 35.42 H new ATOM 0 HB2 TRP A 820 17.033 4.535 -9.767 1.00 11.41 H new ATOM 0 HB3 TRP A 820 18.550 4.018 -9.058 1.00 11.41 H new ATOM 0 HD1 TRP A 820 15.931 1.915 -7.537 1.00 34.05 H new ATOM 0 HE1 TRP A 820 15.736 -0.413 -8.661 1.00 51.12 H new ATOM 0 HE3 TRP A 820 18.661 2.994 -11.668 1.00 52.24 H new ATOM 0 HZ2 TRP A 820 16.674 -1.597 -11.065 1.00 64.35 H new ATOM 0 HZ3 TRP A 820 18.974 1.196 -13.354 1.00 75.42 H new ATOM 0 HH2 TRP A 820 18.032 -1.036 -13.103 1.00 1.52 H new ATOM 640 N TRP A 821 14.806 5.165 -8.275 1.00 0.13 N ATOM 641 CA TRP A 821 13.355 5.223 -8.222 1.00 41.21 C ATOM 642 C TRP A 821 12.825 5.101 -9.652 1.00 71.41 C ATOM 643 O TRP A 821 13.466 5.557 -10.597 1.00 64.01 O ATOM 644 CB TRP A 821 12.883 6.496 -7.516 1.00 74.34 C ATOM 645 CG TRP A 821 12.792 6.366 -5.995 1.00 13.24 C ATOM 646 CD1 TRP A 821 12.592 5.256 -5.272 1.00 33.14 C ATOM 647 CD2 TRP A 821 12.906 7.436 -5.032 1.00 63.33 C ATOM 648 NE1 TRP A 821 12.569 5.530 -3.919 1.00 42.22 N ATOM 649 CE2 TRP A 821 12.767 6.898 -3.769 1.00 73.12 C ATOM 650 CE3 TRP A 821 13.121 8.812 -5.223 1.00 2.00 C ATOM 651 CZ2 TRP A 821 12.826 7.664 -2.599 1.00 22.01 C ATOM 652 CZ3 TRP A 821 13.178 9.564 -4.043 1.00 61.03 C ATOM 653 CH2 TRP A 821 13.039 9.038 -2.764 1.00 63.34 C ATOM 0 H TRP A 821 15.231 5.761 -8.986 1.00 0.13 H new ATOM 0 HA TRP A 821 12.957 4.398 -7.631 1.00 41.21 H new ATOM 0 HB2 TRP A 821 13.566 7.309 -7.761 1.00 74.34 H new ATOM 0 HB3 TRP A 821 11.904 6.774 -7.906 1.00 74.34 H new ATOM 0 HD1 TRP A 821 12.465 4.270 -5.695 1.00 33.14 H new ATOM 0 HE1 TRP A 821 12.432 4.854 -3.168 1.00 42.22 H new ATOM 0 HE3 TRP A 821 13.233 9.254 -6.202 1.00 2.00 H new ATOM 0 HZ2 TRP A 821 12.713 7.219 -1.621 1.00 22.01 H new ATOM 0 HZ3 TRP A 821 13.342 10.628 -4.133 1.00 61.03 H new ATOM 0 HH2 TRP A 821 13.095 9.686 -1.902 1.00 63.34 H new ATOM 664 N ARG A 822 11.659 4.482 -9.766 1.00 32.13 N ATOM 665 CA ARG A 822 11.035 4.294 -11.064 1.00 60.55 C ATOM 666 C ARG A 822 10.147 5.492 -11.405 1.00 75.54 C ATOM 667 O ARG A 822 9.654 6.178 -10.511 1.00 60.14 O ATOM 668 CB ARG A 822 10.191 3.018 -11.090 1.00 60.32 C ATOM 669 CG ARG A 822 10.185 2.392 -12.486 1.00 42.15 C ATOM 670 CD ARG A 822 8.930 1.544 -12.702 1.00 62.20 C ATOM 671 NE ARG A 822 9.129 0.192 -12.132 1.00 52.51 N ATOM 672 CZ ARG A 822 8.427 -0.898 -12.508 1.00 1.03 C ATOM 673 NH1 ARG A 822 7.473 -0.805 -13.458 1.00 42.14 N ATOM 674 NH2 ARG A 822 8.688 -2.057 -11.931 1.00 54.53 N ATOM 0 H ARG A 822 11.130 4.104 -8.980 1.00 32.13 H new ATOM 0 HA ARG A 822 11.830 4.205 -11.804 1.00 60.55 H new ATOM 0 HB2 ARG A 822 10.585 2.302 -10.369 1.00 60.32 H new ATOM 0 HB3 ARG A 822 9.170 3.247 -10.786 1.00 60.32 H new ATOM 0 HG2 ARG A 822 10.232 3.177 -13.241 1.00 42.15 H new ATOM 0 HG3 ARG A 822 11.073 1.773 -12.615 1.00 42.15 H new ATOM 0 HD2 ARG A 822 8.072 2.023 -12.231 1.00 62.20 H new ATOM 0 HD3 ARG A 822 8.710 1.470 -13.767 1.00 62.20 H new ATOM 0 HE ARG A 822 9.841 0.077 -11.410 1.00 52.51 H new ATOM 0 HH11 ARG A 822 7.278 0.094 -13.898 1.00 42.14 H new ATOM 0 HH12 ARG A 822 6.947 -1.634 -13.736 1.00 42.14 H new ATOM 0 HH21 ARG A 822 9.410 -2.118 -11.213 1.00 54.53 H new ATOM 0 HH22 ARG A 822 8.167 -2.891 -12.203 1.00 54.53 H new ATOM 687 N GLY A 823 9.969 5.706 -12.701 1.00 14.13 N ATOM 688 CA GLY A 823 9.148 6.809 -13.171 1.00 1.33 C ATOM 689 C GLY A 823 9.129 6.866 -14.700 1.00 31.14 C ATOM 690 O GLY A 823 9.601 5.945 -15.364 1.00 73.24 O ATOM 0 H GLY A 823 10.379 5.134 -13.440 1.00 14.13 H new ATOM 0 HA2 GLY A 823 8.131 6.696 -12.795 1.00 1.33 H new ATOM 0 HA3 GLY A 823 9.532 7.748 -12.773 1.00 1.33 H new ATOM 694 N GLU A 824 8.579 7.956 -15.213 1.00 14.43 N ATOM 695 CA GLU A 824 8.492 8.145 -16.651 1.00 12.22 C ATOM 696 C GLU A 824 8.451 9.637 -16.989 1.00 20.21 C ATOM 697 O GLU A 824 8.113 10.460 -16.140 1.00 3.31 O ATOM 698 CB GLU A 824 7.274 7.419 -17.227 1.00 4.13 C ATOM 699 CG GLU A 824 6.880 8.003 -18.585 1.00 34.32 C ATOM 700 CD GLU A 824 5.657 7.282 -19.157 1.00 65.50 C ATOM 701 OE1 GLU A 824 4.573 7.328 -18.557 1.00 63.41 O ATOM 702 OE2 GLU A 824 5.863 6.657 -20.267 1.00 40.31 O ATOM 0 H GLU A 824 8.189 8.718 -14.658 1.00 14.43 H new ATOM 0 HA GLU A 824 9.382 7.713 -17.109 1.00 12.22 H new ATOM 0 HB2 GLU A 824 7.496 6.357 -17.334 1.00 4.13 H new ATOM 0 HB3 GLU A 824 6.436 7.501 -16.535 1.00 4.13 H new ATOM 0 HG2 GLU A 824 6.664 9.066 -18.479 1.00 34.32 H new ATOM 0 HG3 GLU A 824 7.716 7.916 -19.279 1.00 34.32 H new ATOM 710 N ILE A 825 8.800 9.939 -18.231 1.00 11.33 N ATOM 711 CA ILE A 825 8.807 11.317 -18.691 1.00 44.44 C ATOM 712 C ILE A 825 8.545 11.348 -20.198 1.00 42.25 C ATOM 713 O ILE A 825 9.131 10.570 -20.950 1.00 52.41 O ATOM 714 CB ILE A 825 10.106 12.013 -18.279 1.00 2.11 C ATOM 715 CG1 ILE A 825 10.051 12.453 -16.814 1.00 42.15 C ATOM 716 CG2 ILE A 825 10.425 13.180 -19.216 1.00 71.43 C ATOM 717 CD1 ILE A 825 11.117 13.510 -16.519 1.00 40.43 C ATOM 0 H ILE A 825 9.080 9.253 -18.932 1.00 11.33 H new ATOM 0 HA ILE A 825 8.005 11.881 -18.215 1.00 44.44 H new ATOM 0 HB ILE A 825 10.921 11.295 -18.370 1.00 2.11 H new ATOM 0 HG12 ILE A 825 9.063 12.855 -16.588 1.00 42.15 H new ATOM 0 HG13 ILE A 825 10.200 11.590 -16.165 1.00 42.15 H new ATOM 0 HG21 ILE A 825 11.353 13.657 -18.900 1.00 71.43 H new ATOM 0 HG22 ILE A 825 10.536 12.809 -20.235 1.00 71.43 H new ATOM 0 HG23 ILE A 825 9.614 13.907 -19.181 1.00 71.43 H new ATOM 0 HD11 ILE A 825 11.056 13.805 -15.472 1.00 40.43 H new ATOM 0 HD12 ILE A 825 12.105 13.097 -16.723 1.00 40.43 H new ATOM 0 HD13 ILE A 825 10.950 14.382 -17.152 1.00 40.43 H new ATOM 729 N TYR A 826 7.664 12.255 -20.595 1.00 63.00 N ATOM 730 CA TYR A 826 7.317 12.397 -21.999 1.00 3.42 C ATOM 731 C TYR A 826 6.823 11.071 -22.579 1.00 32.32 C ATOM 732 O TYR A 826 6.783 10.898 -23.796 1.00 33.31 O ATOM 733 CB TYR A 826 8.608 12.803 -22.713 1.00 70.02 C ATOM 734 CG TYR A 826 9.205 14.122 -22.219 1.00 31.15 C ATOM 735 CD1 TYR A 826 8.519 14.887 -21.297 1.00 24.14 C ATOM 736 CD2 TYR A 826 10.429 14.547 -22.694 1.00 32.10 C ATOM 737 CE1 TYR A 826 9.081 16.128 -20.831 1.00 2.31 C ATOM 738 CE2 TYR A 826 10.991 15.788 -22.228 1.00 54.33 C ATOM 739 CZ TYR A 826 10.289 16.518 -21.320 1.00 21.32 C ATOM 740 OH TYR A 826 10.820 17.690 -20.880 1.00 13.21 O ATOM 0 H TYR A 826 7.180 12.899 -19.969 1.00 63.00 H new ATOM 0 HA TYR A 826 6.521 13.130 -22.125 1.00 3.42 H new ATOM 0 HB2 TYR A 826 9.346 12.011 -22.585 1.00 70.02 H new ATOM 0 HB3 TYR A 826 8.410 12.884 -23.782 1.00 70.02 H new ATOM 0 HD1 TYR A 826 7.561 14.555 -20.925 1.00 24.14 H new ATOM 0 HD2 TYR A 826 10.965 13.949 -23.415 1.00 32.10 H new ATOM 0 HE1 TYR A 826 8.555 16.736 -20.109 1.00 2.31 H new ATOM 0 HE2 TYR A 826 11.948 16.131 -22.591 1.00 54.33 H new ATOM 0 HH TYR A 826 11.740 17.539 -20.578 1.00 13.21 H new ATOM 750 N GLY A 827 6.459 10.168 -21.680 1.00 74.20 N ATOM 751 CA GLY A 827 5.968 8.862 -22.087 1.00 64.02 C ATOM 752 C GLY A 827 7.116 7.857 -22.203 1.00 22.14 C ATOM 753 O GLY A 827 6.997 6.851 -22.901 1.00 5.05 O ATOM 0 H GLY A 827 6.494 10.315 -20.671 1.00 74.20 H new ATOM 0 HA2 GLY A 827 5.237 8.502 -21.363 1.00 64.02 H new ATOM 0 HA3 GLY A 827 5.454 8.945 -23.045 1.00 64.02 H new ATOM 757 N ARG A 828 8.201 8.164 -21.507 1.00 45.14 N ATOM 758 CA ARG A 828 9.370 7.300 -21.523 1.00 52.22 C ATOM 759 C ARG A 828 9.609 6.706 -20.134 1.00 5.33 C ATOM 760 O ARG A 828 9.871 7.437 -19.179 1.00 64.33 O ATOM 761 CB ARG A 828 10.617 8.069 -21.964 1.00 21.22 C ATOM 762 CG ARG A 828 10.669 8.202 -23.487 1.00 42.32 C ATOM 763 CD ARG A 828 11.538 7.104 -24.104 1.00 40.44 C ATOM 764 NE ARG A 828 11.917 7.476 -25.486 1.00 21.21 N ATOM 765 CZ ARG A 828 11.116 7.314 -26.560 1.00 72.42 C ATOM 766 NH1 ARG A 828 9.882 6.784 -26.421 1.00 12.02 N ATOM 767 NH2 ARG A 828 11.557 7.680 -27.749 1.00 10.30 N ATOM 0 H ARG A 828 8.295 8.999 -20.928 1.00 45.14 H new ATOM 0 HA ARG A 828 9.181 6.498 -22.237 1.00 52.22 H new ATOM 0 HB2 ARG A 828 10.618 9.059 -21.509 1.00 21.22 H new ATOM 0 HB3 ARG A 828 11.510 7.554 -21.610 1.00 21.22 H new ATOM 0 HG2 ARG A 828 9.660 8.145 -23.895 1.00 42.32 H new ATOM 0 HG3 ARG A 828 11.067 9.180 -23.757 1.00 42.32 H new ATOM 0 HD2 ARG A 828 12.433 6.955 -23.500 1.00 40.44 H new ATOM 0 HD3 ARG A 828 10.995 6.159 -24.109 1.00 40.44 H new ATOM 0 HE ARG A 828 12.841 7.880 -25.636 1.00 21.21 H new ATOM 0 HH11 ARG A 828 9.549 6.503 -25.499 1.00 12.02 H new ATOM 0 HH12 ARG A 828 9.283 6.665 -27.238 1.00 12.02 H new ATOM 0 HH21 ARG A 828 12.491 8.079 -27.846 1.00 10.30 H new ATOM 0 HH22 ARG A 828 10.964 7.564 -28.571 1.00 10.30 H new ATOM 780 N ILE A 829 9.511 5.387 -20.064 1.00 62.11 N ATOM 781 CA ILE A 829 9.714 4.687 -18.807 1.00 61.52 C ATOM 782 C ILE A 829 11.203 4.383 -18.632 1.00 64.44 C ATOM 783 O ILE A 829 11.933 4.252 -19.614 1.00 23.33 O ATOM 784 CB ILE A 829 8.821 3.447 -18.735 1.00 33.55 C ATOM 785 CG1 ILE A 829 7.363 3.803 -19.031 1.00 54.11 C ATOM 786 CG2 ILE A 829 8.975 2.738 -17.387 1.00 71.13 C ATOM 787 CD1 ILE A 829 6.619 4.180 -17.748 1.00 75.24 C ATOM 0 H ILE A 829 9.294 4.784 -20.858 1.00 62.11 H new ATOM 0 HA ILE A 829 9.416 5.316 -17.968 1.00 61.52 H new ATOM 0 HB ILE A 829 9.145 2.748 -19.506 1.00 33.55 H new ATOM 0 HG12 ILE A 829 7.324 4.634 -19.736 1.00 54.11 H new ATOM 0 HG13 ILE A 829 6.868 2.957 -19.507 1.00 54.11 H new ATOM 0 HG21 ILE A 829 8.330 1.860 -17.362 1.00 71.13 H new ATOM 0 HG22 ILE A 829 10.012 2.430 -17.254 1.00 71.13 H new ATOM 0 HG23 ILE A 829 8.693 3.419 -16.584 1.00 71.13 H new ATOM 0 HD11 ILE A 829 5.585 4.429 -17.987 1.00 75.24 H new ATOM 0 HD12 ILE A 829 6.639 3.339 -17.055 1.00 75.24 H new ATOM 0 HD13 ILE A 829 7.102 5.042 -17.287 1.00 75.24 H new ATOM 799 N GLY A 830 11.610 4.279 -17.376 1.00 11.24 N ATOM 800 CA GLY A 830 12.999 3.993 -17.060 1.00 0.14 C ATOM 801 C GLY A 830 13.257 4.119 -15.557 1.00 14.14 C ATOM 802 O GLY A 830 12.317 4.165 -14.764 1.00 21.51 O ATOM 0 H GLY A 830 11.002 4.388 -16.564 1.00 11.24 H new ATOM 0 HA2 GLY A 830 13.251 2.986 -17.393 1.00 0.14 H new ATOM 0 HA3 GLY A 830 13.648 4.680 -17.603 1.00 0.14 H new ATOM 806 N TRP A 831 14.534 4.172 -15.210 1.00 22.21 N ATOM 807 CA TRP A 831 14.927 4.292 -13.816 1.00 62.42 C ATOM 808 C TRP A 831 15.852 5.504 -13.688 1.00 72.11 C ATOM 809 O TRP A 831 16.346 6.021 -14.689 1.00 22.50 O ATOM 810 CB TRP A 831 15.567 2.996 -13.314 1.00 1.03 C ATOM 811 CG TRP A 831 14.622 1.793 -13.318 1.00 62.33 C ATOM 812 CD1 TRP A 831 14.171 1.102 -14.374 1.00 62.22 C ATOM 813 CD2 TRP A 831 14.027 1.162 -12.164 1.00 40.44 C ATOM 814 NE1 TRP A 831 13.332 0.077 -13.987 1.00 63.41 N ATOM 815 CE2 TRP A 831 13.242 0.115 -12.600 1.00 60.35 C ATOM 816 CE3 TRP A 831 14.148 1.468 -10.797 1.00 62.52 C ATOM 817 CZ2 TRP A 831 12.517 -0.712 -11.734 1.00 61.52 C ATOM 818 CZ3 TRP A 831 13.417 0.632 -9.944 1.00 65.54 C ATOM 819 CH2 TRP A 831 12.623 -0.427 -10.368 1.00 35.23 C ATOM 0 H TRP A 831 15.311 4.134 -15.870 1.00 22.21 H new ATOM 0 HA TRP A 831 14.055 4.451 -13.182 1.00 62.42 H new ATOM 0 HB2 TRP A 831 16.433 2.767 -13.935 1.00 1.03 H new ATOM 0 HB3 TRP A 831 15.934 3.153 -12.300 1.00 1.03 H new ATOM 0 HD1 TRP A 831 14.431 1.320 -15.399 1.00 62.22 H new ATOM 0 HE1 TRP A 831 12.864 -0.586 -14.605 1.00 63.41 H new ATOM 0 HE3 TRP A 831 14.756 2.283 -10.434 1.00 62.52 H new ATOM 0 HZ2 TRP A 831 11.909 -1.526 -12.100 1.00 61.52 H new ATOM 0 HZ3 TRP A 831 13.474 0.823 -8.883 1.00 65.54 H new ATOM 0 HH2 TRP A 831 12.090 -1.028 -9.646 1.00 35.23 H new ATOM 830 N PHE A 832 16.057 5.923 -12.448 1.00 65.31 N ATOM 831 CA PHE A 832 16.914 7.065 -12.176 1.00 70.42 C ATOM 832 C PHE A 832 17.256 7.151 -10.687 1.00 42.14 C ATOM 833 O PHE A 832 16.503 6.667 -9.844 1.00 55.24 O ATOM 834 CB PHE A 832 16.133 8.316 -12.581 1.00 51.14 C ATOM 835 CG PHE A 832 14.781 8.460 -11.880 1.00 33.11 C ATOM 836 CD1 PHE A 832 13.699 7.779 -12.343 1.00 75.20 C ATOM 837 CD2 PHE A 832 14.661 9.269 -10.793 1.00 61.21 C ATOM 838 CE1 PHE A 832 12.444 7.912 -11.692 1.00 14.21 C ATOM 839 CE2 PHE A 832 13.406 9.402 -10.142 1.00 43.31 C ATOM 840 CZ PHE A 832 12.324 8.721 -10.605 1.00 40.21 C ATOM 0 H PHE A 832 15.645 5.492 -11.620 1.00 65.31 H new ATOM 0 HA PHE A 832 17.847 6.971 -12.731 1.00 70.42 H new ATOM 0 HB2 PHE A 832 16.739 9.196 -12.364 1.00 51.14 H new ATOM 0 HB3 PHE A 832 15.972 8.298 -13.659 1.00 51.14 H new ATOM 0 HD1 PHE A 832 13.794 7.137 -13.206 1.00 75.20 H new ATOM 0 HD2 PHE A 832 15.520 9.810 -10.425 1.00 61.21 H new ATOM 0 HE1 PHE A 832 11.585 7.371 -12.060 1.00 14.21 H new ATOM 0 HE2 PHE A 832 13.311 10.044 -9.279 1.00 43.31 H new ATOM 0 HZ PHE A 832 11.370 8.822 -10.110 1.00 40.21 H new ATOM 850 N PRO A 833 18.424 7.788 -10.402 1.00 72.51 N ATOM 851 CA PRO A 833 18.875 7.944 -9.030 1.00 20.32 C ATOM 852 C PRO A 833 18.069 9.025 -8.307 1.00 71.12 C ATOM 853 O PRO A 833 17.625 9.991 -8.926 1.00 33.31 O ATOM 854 CB PRO A 833 20.354 8.278 -9.138 1.00 31.34 C ATOM 855 CG PRO A 833 20.571 8.753 -10.565 1.00 70.32 C ATOM 856 CD PRO A 833 19.342 8.373 -11.375 1.00 12.13 C ATOM 0 HA PRO A 833 18.726 7.044 -8.433 1.00 20.32 H new ATOM 0 HB2 PRO A 833 20.633 9.051 -8.422 1.00 31.34 H new ATOM 0 HB3 PRO A 833 20.969 7.405 -8.919 1.00 31.34 H new ATOM 0 HG2 PRO A 833 20.725 9.832 -10.589 1.00 70.32 H new ATOM 0 HG3 PRO A 833 21.464 8.294 -10.988 1.00 70.32 H new ATOM 0 HD2 PRO A 833 18.902 9.244 -11.860 1.00 12.13 H new ATOM 0 HD3 PRO A 833 19.591 7.661 -12.162 1.00 12.13 H new ATOM 864 N SER A 834 17.905 8.826 -7.008 1.00 13.14 N ATOM 865 CA SER A 834 17.160 9.772 -6.194 1.00 40.10 C ATOM 866 C SER A 834 18.098 10.860 -5.666 1.00 54.03 C ATOM 867 O SER A 834 17.681 11.723 -4.895 1.00 21.21 O ATOM 868 CB SER A 834 16.459 9.066 -5.032 1.00 14.41 C ATOM 869 OG SER A 834 17.346 8.816 -3.945 1.00 62.15 O ATOM 0 H SER A 834 18.275 8.024 -6.498 1.00 13.14 H new ATOM 0 HA SER A 834 16.395 10.233 -6.819 1.00 40.10 H new ATOM 0 HB2 SER A 834 15.625 9.677 -4.686 1.00 14.41 H new ATOM 0 HB3 SER A 834 16.039 8.123 -5.381 1.00 14.41 H new ATOM 0 HG SER A 834 16.860 8.366 -3.223 1.00 62.15 H new ATOM 875 N ASN A 835 19.346 10.783 -6.103 1.00 50.53 N ATOM 876 CA ASN A 835 20.346 11.751 -5.685 1.00 21.13 C ATOM 877 C ASN A 835 20.448 12.859 -6.735 1.00 3.14 C ATOM 878 O ASN A 835 21.045 13.905 -6.483 1.00 30.25 O ATOM 879 CB ASN A 835 21.723 11.097 -5.552 1.00 11.23 C ATOM 880 CG ASN A 835 21.672 9.901 -4.599 1.00 62.24 C ATOM 881 OD1 ASN A 835 21.958 8.772 -4.964 1.00 31.14 O ATOM 882 ND2 ASN A 835 21.294 10.210 -3.362 1.00 74.45 N ATOM 0 H ASN A 835 19.688 10.065 -6.742 1.00 50.53 H new ATOM 0 HA ASN A 835 20.043 12.153 -4.718 1.00 21.13 H new ATOM 0 HB2 ASN A 835 22.071 10.771 -6.532 1.00 11.23 H new ATOM 0 HB3 ASN A 835 22.443 11.828 -5.185 1.00 11.23 H new ATOM 0 HD21 ASN A 835 21.229 9.481 -2.651 1.00 74.45 H new ATOM 0 HD22 ASN A 835 21.069 11.176 -3.124 1.00 74.45 H new ATOM 889 N TYR A 836 19.857 12.592 -7.890 1.00 10.22 N ATOM 890 CA TYR A 836 19.874 13.554 -8.979 1.00 30.10 C ATOM 891 C TYR A 836 18.482 14.146 -9.209 1.00 42.31 C ATOM 892 O TYR A 836 18.325 15.086 -9.987 1.00 75.00 O ATOM 893 CB TYR A 836 20.295 12.772 -10.225 1.00 11.20 C ATOM 894 CG TYR A 836 21.802 12.531 -10.328 1.00 61.34 C ATOM 895 CD1 TYR A 836 22.447 11.776 -9.370 1.00 24.21 C ATOM 896 CD2 TYR A 836 22.516 13.068 -11.380 1.00 25.30 C ATOM 897 CE1 TYR A 836 23.866 11.548 -9.467 1.00 50.52 C ATOM 898 CE2 TYR A 836 23.935 12.840 -11.477 1.00 41.33 C ATOM 899 CZ TYR A 836 24.540 12.092 -10.516 1.00 72.11 C ATOM 900 OH TYR A 836 25.880 11.877 -10.608 1.00 14.20 O ATOM 0 H TYR A 836 19.363 11.723 -8.096 1.00 10.22 H new ATOM 0 HA TYR A 836 20.551 14.378 -8.753 1.00 30.10 H new ATOM 0 HB2 TYR A 836 19.782 11.810 -10.228 1.00 11.20 H new ATOM 0 HB3 TYR A 836 19.963 13.313 -11.111 1.00 11.20 H new ATOM 0 HD1 TYR A 836 21.888 11.356 -8.547 1.00 24.21 H new ATOM 0 HD2 TYR A 836 22.011 13.659 -12.130 1.00 25.30 H new ATOM 0 HE1 TYR A 836 24.383 10.959 -8.724 1.00 50.52 H new ATOM 0 HE2 TYR A 836 24.506 13.254 -12.295 1.00 41.33 H new ATOM 0 HH TYR A 836 26.229 12.324 -11.407 1.00 14.20 H new ATOM 910 N VAL A 837 17.508 13.572 -8.518 1.00 41.53 N ATOM 911 CA VAL A 837 16.135 14.032 -8.638 1.00 32.04 C ATOM 912 C VAL A 837 15.658 14.557 -7.282 1.00 52.31 C ATOM 913 O VAL A 837 16.317 14.350 -6.265 1.00 24.32 O ATOM 914 CB VAL A 837 15.253 12.909 -9.188 1.00 21.05 C ATOM 915 CG1 VAL A 837 15.772 12.417 -10.540 1.00 52.22 C ATOM 916 CG2 VAL A 837 15.148 11.755 -8.188 1.00 51.31 C ATOM 0 H VAL A 837 17.642 12.793 -7.873 1.00 41.53 H new ATOM 0 HA VAL A 837 16.069 14.856 -9.348 1.00 32.04 H new ATOM 0 HB VAL A 837 14.252 13.313 -9.340 1.00 21.05 H new ATOM 0 HG11 VAL A 837 15.127 11.619 -10.909 1.00 52.22 H new ATOM 0 HG12 VAL A 837 15.771 13.242 -11.252 1.00 52.22 H new ATOM 0 HG13 VAL A 837 16.788 12.039 -10.424 1.00 52.22 H new ATOM 0 HG21 VAL A 837 14.516 10.970 -8.603 1.00 51.31 H new ATOM 0 HG22 VAL A 837 16.142 11.354 -7.990 1.00 51.31 H new ATOM 0 HG23 VAL A 837 14.711 12.118 -7.258 1.00 51.31 H new ATOM 926 N GLU A 838 14.515 15.227 -7.312 1.00 3.41 N ATOM 927 CA GLU A 838 13.942 15.784 -6.098 1.00 42.01 C ATOM 928 C GLU A 838 12.667 15.029 -5.719 1.00 15.32 C ATOM 929 O GLU A 838 12.193 14.184 -6.477 1.00 14.25 O ATOM 930 CB GLU A 838 13.667 17.280 -6.258 1.00 11.50 C ATOM 931 CG GLU A 838 14.879 18.110 -5.830 1.00 65.15 C ATOM 932 CD GLU A 838 14.447 19.469 -5.277 1.00 54.13 C ATOM 933 OE1 GLU A 838 14.645 20.499 -5.939 1.00 12.24 O ATOM 934 OE2 GLU A 838 13.885 19.432 -4.117 1.00 34.42 O ATOM 0 H GLU A 838 13.970 15.397 -8.158 1.00 3.41 H new ATOM 0 HA GLU A 838 14.664 15.666 -5.290 1.00 42.01 H new ATOM 0 HB2 GLU A 838 13.421 17.499 -7.297 1.00 11.50 H new ATOM 0 HB3 GLU A 838 12.800 17.560 -5.659 1.00 11.50 H new ATOM 0 HG2 GLU A 838 15.445 17.569 -5.072 1.00 65.15 H new ATOM 0 HG3 GLU A 838 15.544 18.255 -6.682 1.00 65.15 H new ATOM 942 N GLU A 839 12.147 15.362 -4.546 1.00 71.33 N ATOM 943 CA GLU A 839 10.935 14.726 -4.057 1.00 63.23 C ATOM 944 C GLU A 839 10.195 15.661 -3.099 1.00 32.31 C ATOM 945 O GLU A 839 10.817 16.338 -2.283 1.00 1.35 O ATOM 946 CB GLU A 839 11.251 13.389 -3.384 1.00 62.32 C ATOM 947 CG GLU A 839 11.247 12.247 -4.403 1.00 41.41 C ATOM 948 CD GLU A 839 9.904 12.167 -5.132 1.00 0.54 C ATOM 949 OE1 GLU A 839 8.943 12.844 -4.736 1.00 30.10 O ATOM 950 OE2 GLU A 839 9.879 11.368 -6.144 1.00 5.21 O ATOM 0 H GLU A 839 12.543 16.064 -3.920 1.00 71.33 H new ATOM 0 HA GLU A 839 10.286 14.522 -4.908 1.00 63.23 H new ATOM 0 HB2 GLU A 839 12.225 13.444 -2.898 1.00 62.32 H new ATOM 0 HB3 GLU A 839 10.516 13.188 -2.604 1.00 62.32 H new ATOM 0 HG2 GLU A 839 12.049 12.397 -5.126 1.00 41.41 H new ATOM 0 HG3 GLU A 839 11.447 11.303 -3.897 1.00 41.41 H new ATOM 958 N ASP A 840 8.876 15.667 -3.230 1.00 44.41 N ATOM 959 CA ASP A 840 8.045 16.508 -2.386 1.00 34.01 C ATOM 960 C ASP A 840 8.718 17.870 -2.208 1.00 4.03 C ATOM 961 O ASP A 840 8.548 18.521 -1.178 1.00 52.12 O ATOM 962 CB ASP A 840 7.861 15.886 -1.000 1.00 0.50 C ATOM 963 CG ASP A 840 7.044 16.727 -0.017 1.00 53.42 C ATOM 964 OD1 ASP A 840 7.600 17.481 0.795 1.00 43.32 O ATOM 965 OD2 ASP A 840 5.765 16.584 -0.109 1.00 60.21 O ATOM 0 H ASP A 840 8.363 15.103 -3.908 1.00 44.41 H new ATOM 0 HA ASP A 840 7.072 16.612 -2.867 1.00 34.01 H new ATOM 0 HB2 ASP A 840 7.377 14.916 -1.115 1.00 0.50 H new ATOM 0 HB3 ASP A 840 8.844 15.702 -0.567 1.00 0.50 H new ATOM 971 N TYR A 841 9.470 18.260 -3.227 1.00 11.54 N ATOM 972 CA TYR A 841 10.170 19.533 -3.196 1.00 2.25 C ATOM 973 C TYR A 841 9.187 20.697 -3.058 1.00 54.11 C ATOM 974 O TYR A 841 9.528 21.741 -2.504 1.00 31.23 O ATOM 975 CB TYR A 841 10.894 19.649 -4.538 1.00 64.03 C ATOM 976 CG TYR A 841 10.022 19.307 -5.747 1.00 73.54 C ATOM 977 CD1 TYR A 841 9.190 20.264 -6.291 1.00 53.13 C ATOM 978 CD2 TYR A 841 10.066 18.040 -6.294 1.00 44.22 C ATOM 979 CE1 TYR A 841 8.368 19.942 -7.429 1.00 64.24 C ATOM 980 CE2 TYR A 841 9.245 17.718 -7.432 1.00 61.12 C ATOM 981 CZ TYR A 841 8.437 18.685 -7.944 1.00 34.43 C ATOM 982 OH TYR A 841 7.661 18.380 -9.018 1.00 51.35 O ATOM 0 H TYR A 841 9.610 17.717 -4.079 1.00 11.54 H new ATOM 0 HA TYR A 841 10.853 19.574 -2.347 1.00 2.25 H new ATOM 0 HB2 TYR A 841 11.269 20.666 -4.650 1.00 64.03 H new ATOM 0 HB3 TYR A 841 11.761 18.988 -4.530 1.00 64.03 H new ATOM 0 HD1 TYR A 841 9.155 21.255 -5.863 1.00 53.13 H new ATOM 0 HD2 TYR A 841 10.716 17.290 -5.868 1.00 44.22 H new ATOM 0 HE1 TYR A 841 7.712 20.682 -7.863 1.00 64.24 H new ATOM 0 HE2 TYR A 841 9.270 16.731 -7.869 1.00 61.12 H new ATOM 0 HH TYR A 841 7.518 19.185 -9.558 1.00 51.35 H new