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 180:sc= 0 USER MOD Set 1.2: A 841 TYR OH : rot 30:sc= -0.0289 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= 0.00531 USER MOD Single : A 802 SER OG : rot 180:sc= 0 USER MOD Single : A 804 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 810 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 813 ASN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 814 LYS NZ :NH3+ -146:sc= -3.37! (180deg=-6.85!) USER MOD Single : A 826 TYR OH : rot 174:sc= -2.29! USER MOD Single : A 834 SER OG : rot 180:sc= 0 USER MOD Single : A 835 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 836 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N GLY A 785 3.963 11.278 -6.020 1.00 25.02 N ATOM 64 CA GLY A 785 3.317 11.727 -7.241 1.00 44.33 C ATOM 65 C GLY A 785 4.334 11.882 -8.374 1.00 71.44 C ATOM 66 O GLY A 785 4.242 11.198 -9.393 1.00 21.02 O ATOM 0 HA2 GLY A 785 2.547 11.013 -7.533 1.00 44.33 H new ATOM 0 HA3 GLY A 785 2.817 12.679 -7.063 1.00 44.33 H new ATOM 70 N THR A 786 5.280 12.784 -8.159 1.00 72.10 N ATOM 71 CA THR A 786 6.313 13.037 -9.150 1.00 35.35 C ATOM 72 C THR A 786 7.604 13.493 -8.469 1.00 24.25 C ATOM 73 O THR A 786 7.604 13.818 -7.282 1.00 54.23 O ATOM 74 CB THR A 786 5.765 14.051 -10.155 1.00 52.22 C ATOM 75 OG1 THR A 786 5.016 14.963 -9.356 1.00 5.11 O ATOM 76 CG2 THR A 786 4.724 13.440 -11.096 1.00 64.01 C ATOM 0 H THR A 786 5.353 13.349 -7.313 1.00 72.10 H new ATOM 0 HA THR A 786 6.572 12.128 -9.693 1.00 35.35 H new ATOM 0 HB THR A 786 6.588 14.461 -10.741 1.00 52.22 H new ATOM 0 HG1 THR A 786 4.626 15.656 -9.929 1.00 5.11 H new ATOM 0 HG21 THR A 786 4.368 14.202 -11.789 1.00 64.01 H new ATOM 0 HG22 THR A 786 5.176 12.623 -11.657 1.00 64.01 H new ATOM 0 HG23 THR A 786 3.885 13.059 -10.513 1.00 64.01 H new ATOM 84 N ALA A 787 8.675 13.502 -9.249 1.00 23.05 N ATOM 85 CA ALA A 787 9.971 13.913 -8.736 1.00 22.14 C ATOM 86 C ALA A 787 10.651 14.829 -9.755 1.00 2.00 C ATOM 87 O ALA A 787 10.920 14.417 -10.882 1.00 44.34 O ATOM 88 CB ALA A 787 10.810 12.674 -8.415 1.00 34.13 C ATOM 0 H ALA A 787 8.672 13.231 -10.232 1.00 23.05 H new ATOM 0 HA ALA A 787 9.856 14.477 -7.811 1.00 22.14 H new ATOM 0 HB1 ALA A 787 11.782 12.983 -8.030 1.00 34.13 H new ATOM 0 HB2 ALA A 787 10.297 12.072 -7.665 1.00 34.13 H new ATOM 0 HB3 ALA A 787 10.949 12.084 -9.321 1.00 34.13 H new ATOM 94 N LYS A 788 10.909 16.054 -9.322 1.00 4.20 N ATOM 95 CA LYS A 788 11.553 17.032 -10.183 1.00 11.22 C ATOM 96 C LYS A 788 13.055 16.747 -10.237 1.00 1.40 C ATOM 97 O LYS A 788 13.732 16.770 -9.210 1.00 43.14 O ATOM 98 CB LYS A 788 11.212 18.453 -9.728 1.00 62.30 C ATOM 99 CG LYS A 788 11.104 19.400 -10.924 1.00 40.34 C ATOM 100 CD LYS A 788 10.161 20.566 -10.617 1.00 62.44 C ATOM 101 CE LYS A 788 10.630 21.847 -11.310 1.00 33.11 C ATOM 102 NZ LYS A 788 9.709 22.966 -11.008 1.00 73.51 N ATOM 0 H LYS A 788 10.684 16.392 -8.386 1.00 4.20 H new ATOM 0 HA LYS A 788 11.176 16.949 -11.202 1.00 11.22 H new ATOM 0 HB2 LYS A 788 10.271 18.447 -9.178 1.00 62.30 H new ATOM 0 HB3 LYS A 788 11.979 18.813 -9.042 1.00 62.30 H new ATOM 0 HG2 LYS A 788 12.092 19.784 -11.179 1.00 40.34 H new ATOM 0 HG3 LYS A 788 10.741 18.853 -11.794 1.00 40.34 H new ATOM 0 HD2 LYS A 788 9.152 20.319 -10.946 1.00 62.44 H new ATOM 0 HD3 LYS A 788 10.114 20.727 -9.540 1.00 62.44 H new ATOM 0 HE2 LYS A 788 11.638 22.098 -10.980 1.00 33.11 H new ATOM 0 HE3 LYS A 788 10.678 21.688 -12.387 1.00 33.11 H new ATOM 0 HZ1 LYS A 788 10.041 23.828 -11.486 1.00 73.51 H new ATOM 0 HZ2 LYS A 788 8.754 22.730 -11.345 1.00 73.51 H new ATOM 0 HZ3 LYS A 788 9.684 23.127 -9.981 1.00 73.51 H new ATOM 115 N ALA A 789 13.532 16.486 -11.445 1.00 62.20 N ATOM 116 CA ALA A 789 14.942 16.197 -11.647 1.00 31.15 C ATOM 117 C ALA A 789 15.766 17.440 -11.308 1.00 4.41 C ATOM 118 O ALA A 789 15.403 18.553 -11.686 1.00 74.24 O ATOM 119 CB ALA A 789 15.166 15.723 -13.084 1.00 34.42 C ATOM 0 H ALA A 789 12.967 16.469 -12.294 1.00 62.20 H new ATOM 0 HA ALA A 789 15.268 15.395 -10.985 1.00 31.15 H new ATOM 0 HB1 ALA A 789 16.224 15.506 -13.235 1.00 34.42 H new ATOM 0 HB2 ALA A 789 14.581 14.821 -13.265 1.00 34.42 H new ATOM 0 HB3 ALA A 789 14.853 16.503 -13.778 1.00 34.42 H new ATOM 125 N ARG A 790 16.861 17.210 -10.599 1.00 5.15 N ATOM 126 CA ARG A 790 17.741 18.298 -10.205 1.00 34.14 C ATOM 127 C ARG A 790 19.123 18.118 -10.834 1.00 63.43 C ATOM 128 O ARG A 790 20.054 18.858 -10.519 1.00 70.52 O ATOM 129 CB ARG A 790 17.886 18.365 -8.683 1.00 14.40 C ATOM 130 CG ARG A 790 16.591 18.854 -8.030 1.00 41.30 C ATOM 131 CD ARG A 790 16.536 20.383 -7.998 1.00 44.03 C ATOM 132 NE ARG A 790 17.740 20.919 -7.323 1.00 75.42 N ATOM 133 CZ ARG A 790 17.892 20.979 -5.983 1.00 55.41 C ATOM 134 NH1 ARG A 790 16.915 20.537 -5.162 1.00 43.31 N ATOM 135 NH2 ARG A 790 19.009 21.478 -5.488 1.00 31.33 N ATOM 0 H ARG A 790 17.159 16.286 -10.287 1.00 5.15 H new ATOM 0 HA ARG A 790 17.296 19.228 -10.558 1.00 34.14 H new ATOM 0 HB2 ARG A 790 18.144 17.380 -8.295 1.00 14.40 H new ATOM 0 HB3 ARG A 790 18.705 19.035 -8.421 1.00 14.40 H new ATOM 0 HG2 ARG A 790 15.733 18.467 -8.581 1.00 41.30 H new ATOM 0 HG3 ARG A 790 16.521 18.463 -7.015 1.00 41.30 H new ATOM 0 HD2 ARG A 790 16.474 20.774 -9.013 1.00 44.03 H new ATOM 0 HD3 ARG A 790 15.639 20.712 -7.474 1.00 44.03 H new ATOM 0 HE ARG A 790 18.502 21.264 -7.907 1.00 75.42 H new ATOM 0 HH11 ARG A 790 16.054 20.154 -5.553 1.00 43.31 H new ATOM 0 HH12 ARG A 790 17.038 20.586 -4.151 1.00 43.31 H new ATOM 0 HH21 ARG A 790 19.741 21.811 -6.116 1.00 31.33 H new ATOM 0 HH22 ARG A 790 19.140 21.531 -4.478 1.00 31.33 H new ATOM 148 N TYR A 791 19.214 17.130 -11.713 1.00 20.03 N ATOM 149 CA TYR A 791 20.467 16.843 -12.389 1.00 45.14 C ATOM 150 C TYR A 791 20.218 16.219 -13.764 1.00 22.10 C ATOM 151 O TYR A 791 19.347 15.364 -13.913 1.00 33.35 O ATOM 152 CB TYR A 791 21.200 15.830 -11.508 1.00 23.12 C ATOM 153 CG TYR A 791 21.423 16.303 -10.070 1.00 30.41 C ATOM 154 CD1 TYR A 791 20.371 16.313 -9.176 1.00 43.33 C ATOM 155 CD2 TYR A 791 22.676 16.718 -9.666 1.00 53.42 C ATOM 156 CE1 TYR A 791 20.581 16.758 -7.823 1.00 12.21 C ATOM 157 CE2 TYR A 791 22.885 17.163 -8.313 1.00 2.22 C ATOM 158 CZ TYR A 791 21.827 17.161 -7.458 1.00 5.20 C ATOM 159 OH TYR A 791 22.025 17.581 -6.180 1.00 4.43 O ATOM 0 H TYR A 791 18.440 16.519 -11.972 1.00 20.03 H new ATOM 0 HA TYR A 791 21.040 17.758 -12.539 1.00 45.14 H new ATOM 0 HB2 TYR A 791 20.631 14.901 -11.490 1.00 23.12 H new ATOM 0 HB3 TYR A 791 22.166 15.603 -11.959 1.00 23.12 H new ATOM 0 HD1 TYR A 791 19.391 15.987 -9.491 1.00 43.33 H new ATOM 0 HD2 TYR A 791 23.499 16.709 -10.365 1.00 53.42 H new ATOM 0 HE1 TYR A 791 19.767 16.771 -7.114 1.00 12.21 H new ATOM 0 HE2 TYR A 791 23.860 17.491 -7.984 1.00 2.22 H new ATOM 0 HH TYR A 791 22.963 17.838 -6.062 1.00 4.43 H new ATOM 169 N ASP A 792 20.999 16.671 -14.734 1.00 61.01 N ATOM 170 CA ASP A 792 20.874 16.168 -16.091 1.00 60.44 C ATOM 171 C ASP A 792 21.461 14.757 -16.164 1.00 25.33 C ATOM 172 O ASP A 792 22.654 14.565 -15.934 1.00 24.44 O ATOM 173 CB ASP A 792 21.640 17.050 -17.079 1.00 23.21 C ATOM 174 CG ASP A 792 20.906 18.319 -17.517 1.00 23.15 C ATOM 175 OD1 ASP A 792 19.673 18.407 -17.425 1.00 73.25 O ATOM 176 OD2 ASP A 792 21.665 19.257 -17.974 1.00 15.13 O ATOM 0 H ASP A 792 21.721 17.380 -14.607 1.00 61.01 H new ATOM 0 HA ASP A 792 19.816 16.167 -16.353 1.00 60.44 H new ATOM 0 HB2 ASP A 792 22.590 17.336 -16.627 1.00 23.21 H new ATOM 0 HB3 ASP A 792 21.873 16.459 -17.965 1.00 23.21 H new ATOM 182 N PHE A 793 20.596 13.806 -16.484 1.00 64.31 N ATOM 183 CA PHE A 793 21.015 12.418 -16.589 1.00 54.15 C ATOM 184 C PHE A 793 20.617 11.827 -17.943 1.00 75.23 C ATOM 185 O PHE A 793 19.431 11.673 -18.233 1.00 41.54 O ATOM 186 CB PHE A 793 20.296 11.649 -15.479 1.00 70.12 C ATOM 187 CG PHE A 793 21.072 10.438 -14.959 1.00 23.54 C ATOM 188 CD1 PHE A 793 22.409 10.534 -14.730 1.00 24.13 C ATOM 189 CD2 PHE A 793 20.425 9.264 -14.725 1.00 1.43 C ATOM 190 CE1 PHE A 793 23.130 9.410 -14.246 1.00 72.35 C ATOM 191 CE2 PHE A 793 21.146 8.140 -14.242 1.00 15.35 C ATOM 192 CZ PHE A 793 22.483 8.237 -14.013 1.00 33.44 C ATOM 0 H PHE A 793 19.607 13.969 -16.674 1.00 64.31 H new ATOM 0 HA PHE A 793 22.099 12.348 -16.496 1.00 54.15 H new ATOM 0 HB2 PHE A 793 20.102 12.327 -14.648 1.00 70.12 H new ATOM 0 HB3 PHE A 793 19.327 11.315 -15.851 1.00 70.12 H new ATOM 0 HD1 PHE A 793 22.923 11.465 -14.916 1.00 24.13 H new ATOM 0 HD2 PHE A 793 19.363 9.187 -14.907 1.00 1.43 H new ATOM 0 HE1 PHE A 793 24.192 9.487 -14.063 1.00 72.35 H new ATOM 0 HE2 PHE A 793 20.633 7.208 -14.057 1.00 15.35 H new ATOM 0 HZ PHE A 793 23.031 7.382 -13.646 1.00 33.44 H new ATOM 202 N CYS A 794 21.630 11.511 -18.736 1.00 70.21 N ATOM 203 CA CYS A 794 21.401 10.940 -20.052 1.00 73.34 C ATOM 204 C CYS A 794 21.217 9.429 -19.895 1.00 70.02 C ATOM 205 O CYS A 794 21.876 8.803 -19.067 1.00 24.20 O ATOM 206 CB CYS A 794 22.535 11.279 -21.022 1.00 30.05 C ATOM 207 SG CYS A 794 22.693 13.094 -21.189 1.00 3.44 S ATOM 0 H CYS A 794 22.612 11.640 -18.492 1.00 70.21 H new ATOM 0 HA CYS A 794 20.499 11.372 -20.486 1.00 73.34 H new ATOM 0 HB2 CYS A 794 23.472 10.856 -20.661 1.00 30.05 H new ATOM 0 HB3 CYS A 794 22.337 10.832 -21.996 1.00 30.05 H new ATOM 0 HG CYS A 794 23.660 13.371 -22.013 1.00 3.44 H new ATOM 213 N ALA A 795 20.318 8.887 -20.703 1.00 53.24 N ATOM 214 CA ALA A 795 20.039 7.462 -20.664 1.00 70.44 C ATOM 215 C ALA A 795 20.796 6.767 -21.798 1.00 50.22 C ATOM 216 O ALA A 795 20.375 6.817 -22.953 1.00 14.33 O ATOM 217 CB ALA A 795 18.528 7.234 -20.747 1.00 42.30 C ATOM 0 H ALA A 795 19.773 9.410 -21.389 1.00 53.24 H new ATOM 0 HA ALA A 795 20.383 7.030 -19.724 1.00 70.44 H new ATOM 0 HB1 ALA A 795 18.319 6.165 -20.718 1.00 42.30 H new ATOM 0 HB2 ALA A 795 18.039 7.722 -19.904 1.00 42.30 H new ATOM 0 HB3 ALA A 795 18.148 7.653 -21.679 1.00 42.30 H new ATOM 223 N ARG A 796 21.900 6.135 -21.429 1.00 44.23 N ATOM 224 CA ARG A 796 22.720 5.431 -22.401 1.00 41.40 C ATOM 225 C ARG A 796 21.856 4.490 -23.242 1.00 53.01 C ATOM 226 O ARG A 796 22.187 4.197 -24.390 1.00 53.31 O ATOM 227 CB ARG A 796 23.820 4.622 -21.711 1.00 1.52 C ATOM 228 CG ARG A 796 24.566 5.476 -20.684 1.00 3.53 C ATOM 229 CD ARG A 796 24.788 6.896 -21.209 1.00 1.43 C ATOM 230 NE ARG A 796 25.885 7.548 -20.459 1.00 23.43 N ATOM 231 CZ ARG A 796 27.195 7.287 -20.655 1.00 43.13 C ATOM 232 NH1 ARG A 796 27.583 6.385 -21.582 1.00 31.33 N ATOM 233 NH2 ARG A 796 28.091 7.928 -19.928 1.00 64.21 N ATOM 0 H ARG A 796 22.246 6.095 -20.470 1.00 44.23 H new ATOM 0 HA ARG A 796 23.184 6.177 -23.046 1.00 41.40 H new ATOM 0 HB2 ARG A 796 23.383 3.753 -21.218 1.00 1.52 H new ATOM 0 HB3 ARG A 796 24.522 4.247 -22.456 1.00 1.52 H new ATOM 0 HG2 ARG A 796 23.998 5.513 -19.755 1.00 3.53 H new ATOM 0 HG3 ARG A 796 25.527 5.016 -20.452 1.00 3.53 H new ATOM 0 HD2 ARG A 796 25.031 6.866 -22.271 1.00 1.43 H new ATOM 0 HD3 ARG A 796 23.872 7.477 -21.108 1.00 1.43 H new ATOM 0 HE ARG A 796 25.636 8.237 -19.750 1.00 23.43 H new ATOM 0 HH11 ARG A 796 26.884 5.895 -22.141 1.00 31.33 H new ATOM 0 HH12 ARG A 796 28.575 6.194 -21.724 1.00 31.33 H new ATOM 0 HH21 ARG A 796 27.790 8.609 -19.231 1.00 64.21 H new ATOM 0 HH22 ARG A 796 29.085 7.743 -20.063 1.00 64.21 H new ATOM 246 N ASP A 797 20.765 4.042 -22.638 1.00 51.03 N ATOM 247 CA ASP A 797 19.850 3.140 -23.317 1.00 65.24 C ATOM 248 C ASP A 797 18.468 3.238 -22.669 1.00 41.42 C ATOM 249 O ASP A 797 18.260 4.042 -21.762 1.00 10.42 O ATOM 250 CB ASP A 797 20.323 1.689 -23.205 1.00 1.03 C ATOM 251 CG ASP A 797 21.436 1.294 -24.178 1.00 33.12 C ATOM 252 OD1 ASP A 797 21.172 0.909 -25.327 1.00 4.51 O ATOM 253 OD2 ASP A 797 22.633 1.395 -23.707 1.00 74.42 O ATOM 0 H ASP A 797 20.494 4.287 -21.686 1.00 51.03 H new ATOM 0 HA ASP A 797 19.812 3.427 -24.368 1.00 65.24 H new ATOM 0 HB2 ASP A 797 20.672 1.514 -22.187 1.00 1.03 H new ATOM 0 HB3 ASP A 797 19.469 1.031 -23.367 1.00 1.03 H new ATOM 259 N ARG A 798 17.559 2.409 -23.160 1.00 50.22 N ATOM 260 CA ARG A 798 16.202 2.393 -22.640 1.00 63.21 C ATOM 261 C ARG A 798 16.186 1.830 -21.218 1.00 31.43 C ATOM 262 O ARG A 798 15.155 1.857 -20.547 1.00 71.34 O ATOM 263 CB ARG A 798 15.283 1.549 -23.526 1.00 0.52 C ATOM 264 CG ARG A 798 15.251 2.092 -24.956 1.00 64.43 C ATOM 265 CD ARG A 798 14.133 3.121 -25.128 1.00 14.22 C ATOM 266 NE ARG A 798 12.890 2.450 -25.569 1.00 70.53 N ATOM 267 CZ ARG A 798 11.684 3.053 -25.630 1.00 31.13 C ATOM 268 NH1 ARG A 798 11.548 4.349 -25.277 1.00 34.25 N ATOM 269 NH2 ARG A 798 10.640 2.357 -26.039 1.00 73.12 N ATOM 0 H ARG A 798 17.735 1.743 -23.912 1.00 50.22 H new ATOM 0 HA ARG A 798 15.837 3.420 -22.632 1.00 63.21 H new ATOM 0 HB2 ARG A 798 15.628 0.515 -23.533 1.00 0.52 H new ATOM 0 HB3 ARG A 798 14.275 1.546 -23.112 1.00 0.52 H new ATOM 0 HG2 ARG A 798 16.211 2.549 -25.196 1.00 64.43 H new ATOM 0 HG3 ARG A 798 15.105 1.270 -25.657 1.00 64.43 H new ATOM 0 HD2 ARG A 798 13.960 3.643 -24.187 1.00 14.22 H new ATOM 0 HD3 ARG A 798 14.429 3.873 -25.859 1.00 14.22 H new ATOM 0 HE ARG A 798 12.948 1.470 -25.844 1.00 70.53 H new ATOM 0 HH11 ARG A 798 12.360 4.880 -24.961 1.00 34.25 H new ATOM 0 HH12 ARG A 798 10.633 4.798 -25.326 1.00 34.25 H new ATOM 0 HH21 ARG A 798 10.751 1.378 -26.303 1.00 73.12 H new ATOM 0 HH22 ARG A 798 9.722 2.798 -26.091 1.00 73.12 H new ATOM 282 N SER A 799 17.340 1.333 -20.799 1.00 24.51 N ATOM 283 CA SER A 799 17.472 0.764 -19.468 1.00 74.32 C ATOM 284 C SER A 799 17.499 1.880 -18.422 1.00 42.24 C ATOM 285 O SER A 799 17.265 1.634 -17.240 1.00 42.11 O ATOM 286 CB SER A 799 18.732 -0.097 -19.359 1.00 72.01 C ATOM 287 OG SER A 799 19.841 0.492 -20.033 1.00 74.11 O ATOM 0 H SER A 799 18.193 1.312 -21.358 1.00 24.51 H new ATOM 0 HA SER A 799 16.610 0.123 -19.283 1.00 74.32 H new ATOM 0 HB2 SER A 799 18.982 -0.242 -18.308 1.00 72.01 H new ATOM 0 HB3 SER A 799 18.535 -1.083 -19.779 1.00 72.01 H new ATOM 0 HG SER A 799 20.626 -0.087 -19.939 1.00 74.11 H new ATOM 293 N GLU A 800 17.787 3.084 -18.896 1.00 22.34 N ATOM 294 CA GLU A 800 17.848 4.239 -18.016 1.00 64.22 C ATOM 295 C GLU A 800 16.746 5.238 -18.375 1.00 24.24 C ATOM 296 O GLU A 800 16.343 5.333 -19.533 1.00 13.04 O ATOM 297 CB GLU A 800 19.227 4.899 -18.074 1.00 1.32 C ATOM 298 CG GLU A 800 19.508 5.695 -16.797 1.00 70.42 C ATOM 299 CD GLU A 800 20.282 4.849 -15.784 1.00 11.13 C ATOM 300 OE1 GLU A 800 21.396 4.391 -16.080 1.00 14.40 O ATOM 301 OE2 GLU A 800 19.687 4.674 -14.652 1.00 70.05 O ATOM 0 H GLU A 800 17.980 3.284 -19.877 1.00 22.34 H new ATOM 0 HA GLU A 800 17.686 3.901 -16.992 1.00 64.22 H new ATOM 0 HB2 GLU A 800 19.994 4.136 -18.207 1.00 1.32 H new ATOM 0 HB3 GLU A 800 19.282 5.560 -18.939 1.00 1.32 H new ATOM 0 HG2 GLU A 800 20.079 6.591 -17.041 1.00 70.42 H new ATOM 0 HG3 GLU A 800 18.568 6.027 -16.356 1.00 70.42 H new ATOM 309 N LEU A 801 16.291 5.957 -17.360 1.00 1.34 N ATOM 310 CA LEU A 801 15.244 6.946 -17.553 1.00 73.32 C ATOM 311 C LEU A 801 15.870 8.261 -18.022 1.00 33.31 C ATOM 312 O LEU A 801 16.857 8.721 -17.451 1.00 22.43 O ATOM 313 CB LEU A 801 14.397 7.085 -16.286 1.00 64.32 C ATOM 314 CG LEU A 801 12.965 7.584 -16.488 1.00 21.14 C ATOM 315 CD1 LEU A 801 12.290 7.868 -15.145 1.00 13.43 C ATOM 316 CD2 LEU A 801 12.934 8.801 -17.414 1.00 41.11 C ATOM 0 H LEU A 801 16.628 5.875 -16.401 1.00 1.34 H new ATOM 0 HA LEU A 801 14.556 6.624 -18.334 1.00 73.32 H new ATOM 0 HB2 LEU A 801 14.356 6.114 -15.792 1.00 64.32 H new ATOM 0 HB3 LEU A 801 14.906 7.768 -15.606 1.00 64.32 H new ATOM 0 HG LEU A 801 12.393 6.794 -16.976 1.00 21.14 H new ATOM 0 HD11 LEU A 801 11.273 8.221 -15.316 1.00 13.43 H new ATOM 0 HD12 LEU A 801 12.261 6.954 -14.552 1.00 13.43 H new ATOM 0 HD13 LEU A 801 12.854 8.631 -14.609 1.00 13.43 H new ATOM 0 HD21 LEU A 801 11.904 9.136 -17.541 1.00 41.11 H new ATOM 0 HD22 LEU A 801 13.526 9.606 -16.977 1.00 41.11 H new ATOM 0 HD23 LEU A 801 13.350 8.530 -18.385 1.00 41.11 H new ATOM 328 N SER A 802 15.269 8.829 -19.057 1.00 63.13 N ATOM 329 CA SER A 802 15.756 10.082 -19.609 1.00 74.03 C ATOM 330 C SER A 802 15.460 11.230 -18.642 1.00 21.33 C ATOM 331 O SER A 802 14.340 11.735 -18.596 1.00 54.23 O ATOM 332 CB SER A 802 15.126 10.363 -20.975 1.00 12.41 C ATOM 333 OG SER A 802 16.093 10.787 -21.932 1.00 0.53 O ATOM 0 H SER A 802 14.450 8.445 -19.528 1.00 63.13 H new ATOM 0 HA SER A 802 16.834 10.000 -19.746 1.00 74.03 H new ATOM 0 HB2 SER A 802 14.628 9.463 -21.337 1.00 12.41 H new ATOM 0 HB3 SER A 802 14.359 11.131 -20.870 1.00 12.41 H new ATOM 0 HG SER A 802 15.652 10.955 -22.791 1.00 0.53 H new ATOM 339 N LEU A 803 16.485 11.608 -17.892 1.00 32.42 N ATOM 340 CA LEU A 803 16.349 12.686 -16.928 1.00 1.42 C ATOM 341 C LEU A 803 16.836 13.993 -17.559 1.00 34.43 C ATOM 342 O LEU A 803 17.760 13.988 -18.371 1.00 34.55 O ATOM 343 CB LEU A 803 17.063 12.331 -15.622 1.00 32.11 C ATOM 344 CG LEU A 803 16.284 12.609 -14.335 1.00 1.44 C ATOM 345 CD1 LEU A 803 15.113 11.637 -14.181 1.00 51.12 C ATOM 346 CD2 LEU A 803 17.211 12.587 -13.118 1.00 11.05 C ATOM 0 H LEU A 803 17.413 11.187 -17.933 1.00 32.42 H new ATOM 0 HA LEU A 803 15.302 12.830 -16.663 1.00 1.42 H new ATOM 0 HB2 LEU A 803 17.318 11.272 -15.647 1.00 32.11 H new ATOM 0 HB3 LEU A 803 18.001 12.884 -15.582 1.00 32.11 H new ATOM 0 HG LEU A 803 15.862 13.612 -14.401 1.00 1.44 H new ATOM 0 HD11 LEU A 803 14.577 11.857 -13.258 1.00 51.12 H new ATOM 0 HD12 LEU A 803 14.436 11.745 -15.029 1.00 51.12 H new ATOM 0 HD13 LEU A 803 15.491 10.615 -14.146 1.00 51.12 H new ATOM 0 HD21 LEU A 803 16.632 12.787 -12.216 1.00 11.05 H new ATOM 0 HD22 LEU A 803 17.682 11.607 -13.037 1.00 11.05 H new ATOM 0 HD23 LEU A 803 17.980 13.351 -13.233 1.00 11.05 H new ATOM 358 N LYS A 804 16.192 15.080 -17.161 1.00 54.14 N ATOM 359 CA LYS A 804 16.547 16.391 -17.678 1.00 21.01 C ATOM 360 C LYS A 804 16.059 17.467 -16.706 1.00 33.11 C ATOM 361 O LYS A 804 14.857 17.694 -16.579 1.00 14.14 O ATOM 362 CB LYS A 804 16.021 16.566 -19.104 1.00 32.22 C ATOM 363 CG LYS A 804 16.962 17.442 -19.932 1.00 44.32 C ATOM 364 CD LYS A 804 16.549 18.914 -19.858 1.00 60.40 C ATOM 365 CE LYS A 804 17.748 19.833 -20.101 1.00 32.34 C ATOM 366 NZ LYS A 804 18.065 19.900 -21.545 1.00 3.24 N ATOM 0 H LYS A 804 15.427 15.080 -16.487 1.00 54.14 H new ATOM 0 HA LYS A 804 17.630 16.492 -17.748 1.00 21.01 H new ATOM 0 HB2 LYS A 804 15.915 15.590 -19.579 1.00 32.22 H new ATOM 0 HB3 LYS A 804 15.029 17.017 -19.077 1.00 32.22 H new ATOM 0 HG2 LYS A 804 17.984 17.329 -19.569 1.00 44.32 H new ATOM 0 HG3 LYS A 804 16.954 17.110 -20.970 1.00 44.32 H new ATOM 0 HD2 LYS A 804 15.775 19.116 -20.599 1.00 60.40 H new ATOM 0 HD3 LYS A 804 16.117 19.125 -18.880 1.00 60.40 H new ATOM 0 HE2 LYS A 804 17.530 20.832 -19.724 1.00 32.34 H new ATOM 0 HE3 LYS A 804 18.613 19.465 -19.549 1.00 32.34 H new ATOM 0 HZ1 LYS A 804 18.881 20.528 -21.693 1.00 3.24 H new ATOM 0 HZ2 LYS A 804 18.293 18.948 -21.895 1.00 3.24 H new ATOM 0 HZ3 LYS A 804 17.244 20.272 -22.064 1.00 3.24 H new ATOM 379 N GLU A 805 17.016 18.101 -16.045 1.00 23.40 N ATOM 380 CA GLU A 805 16.699 19.147 -15.088 1.00 52.23 C ATOM 381 C GLU A 805 15.553 20.015 -15.612 1.00 14.12 C ATOM 382 O GLU A 805 15.445 20.247 -16.815 1.00 13.31 O ATOM 383 CB GLU A 805 17.932 19.997 -14.776 1.00 51.44 C ATOM 384 CG GLU A 805 18.722 19.408 -13.606 1.00 43.52 C ATOM 385 CD GLU A 805 20.216 19.712 -13.745 1.00 74.44 C ATOM 386 OE1 GLU A 805 20.811 19.425 -14.795 1.00 0.43 O ATOM 387 OE2 GLU A 805 20.758 20.266 -12.714 1.00 72.14 O ATOM 0 H GLU A 805 18.012 17.910 -16.153 1.00 23.40 H new ATOM 0 HA GLU A 805 16.378 18.677 -14.158 1.00 52.23 H new ATOM 0 HB2 GLU A 805 18.570 20.056 -15.658 1.00 51.44 H new ATOM 0 HB3 GLU A 805 17.625 21.015 -14.536 1.00 51.44 H new ATOM 0 HG2 GLU A 805 18.349 19.819 -12.668 1.00 43.52 H new ATOM 0 HG3 GLU A 805 18.569 18.330 -13.565 1.00 43.52 H new ATOM 395 N GLY A 806 14.726 20.471 -14.682 1.00 74.34 N ATOM 396 CA GLY A 806 13.592 21.308 -15.035 1.00 75.21 C ATOM 397 C GLY A 806 12.415 20.460 -15.524 1.00 2.12 C ATOM 398 O GLY A 806 11.499 20.974 -16.163 1.00 74.13 O ATOM 0 H GLY A 806 14.819 20.277 -13.685 1.00 74.34 H new ATOM 0 HA2 GLY A 806 13.286 21.896 -14.170 1.00 75.21 H new ATOM 0 HA3 GLY A 806 13.884 22.014 -15.813 1.00 75.21 H new ATOM 402 N ASP A 807 12.479 19.176 -15.204 1.00 45.00 N ATOM 403 CA ASP A 807 11.431 18.252 -15.602 1.00 41.25 C ATOM 404 C ASP A 807 10.975 17.448 -14.383 1.00 44.02 C ATOM 405 O ASP A 807 11.655 17.430 -13.358 1.00 33.20 O ATOM 406 CB ASP A 807 11.937 17.266 -16.657 1.00 5.11 C ATOM 407 CG ASP A 807 12.200 17.873 -18.037 1.00 31.13 C ATOM 408 OD1 ASP A 807 11.916 19.055 -18.279 1.00 0.42 O ATOM 409 OD2 ASP A 807 12.726 17.067 -18.896 1.00 21.15 O ATOM 0 H ASP A 807 13.241 18.754 -14.673 1.00 45.00 H new ATOM 0 HA ASP A 807 10.609 18.834 -16.018 1.00 41.25 H new ATOM 0 HB2 ASP A 807 12.859 16.812 -16.295 1.00 5.11 H new ATOM 0 HB3 ASP A 807 11.207 16.464 -16.763 1.00 5.11 H new ATOM 415 N ILE A 808 9.828 16.803 -14.535 1.00 23.40 N ATOM 416 CA ILE A 808 9.274 15.999 -13.459 1.00 71.31 C ATOM 417 C ILE A 808 9.396 14.517 -13.820 1.00 65.01 C ATOM 418 O ILE A 808 9.419 14.161 -14.997 1.00 43.14 O ATOM 419 CB ILE A 808 7.843 16.439 -13.144 1.00 73.42 C ATOM 420 CG1 ILE A 808 7.152 16.992 -14.392 1.00 42.33 C ATOM 421 CG2 ILE A 808 7.818 17.437 -11.985 1.00 45.01 C ATOM 422 CD1 ILE A 808 7.654 18.401 -14.717 1.00 34.02 C ATOM 0 H ILE A 808 9.267 16.821 -15.387 1.00 23.40 H new ATOM 0 HA ILE A 808 9.840 16.151 -12.540 1.00 71.31 H new ATOM 0 HB ILE A 808 7.279 15.562 -12.825 1.00 73.42 H new ATOM 0 HG12 ILE A 808 7.339 16.331 -15.239 1.00 42.33 H new ATOM 0 HG13 ILE A 808 6.073 17.013 -14.236 1.00 42.33 H new ATOM 0 HG21 ILE A 808 6.789 17.733 -11.782 1.00 45.01 H new ATOM 0 HG22 ILE A 808 8.244 16.973 -11.096 1.00 45.01 H new ATOM 0 HG23 ILE A 808 8.403 18.317 -12.250 1.00 45.01 H new ATOM 0 HD11 ILE A 808 7.147 18.771 -15.608 1.00 34.02 H new ATOM 0 HD12 ILE A 808 7.444 19.065 -13.878 1.00 34.02 H new ATOM 0 HD13 ILE A 808 8.729 18.372 -14.896 1.00 34.02 H new ATOM 434 N ILE A 809 9.472 13.693 -12.785 1.00 61.15 N ATOM 435 CA ILE A 809 9.592 12.258 -12.979 1.00 32.21 C ATOM 436 C ILE A 809 8.379 11.561 -12.358 1.00 43.01 C ATOM 437 O ILE A 809 8.188 11.604 -11.144 1.00 5.13 O ATOM 438 CB ILE A 809 10.933 11.755 -12.441 1.00 34.55 C ATOM 439 CG1 ILE A 809 12.048 11.959 -13.468 1.00 54.12 C ATOM 440 CG2 ILE A 809 10.830 10.296 -11.989 1.00 53.30 C ATOM 441 CD1 ILE A 809 12.704 13.331 -13.299 1.00 63.40 C ATOM 0 H ILE A 809 9.453 13.992 -11.810 1.00 61.15 H new ATOM 0 HA ILE A 809 9.590 12.015 -14.042 1.00 32.21 H new ATOM 0 HB ILE A 809 11.192 12.347 -11.563 1.00 34.55 H new ATOM 0 HG12 ILE A 809 12.799 11.177 -13.356 1.00 54.12 H new ATOM 0 HG13 ILE A 809 11.641 11.868 -14.475 1.00 54.12 H new ATOM 0 HG21 ILE A 809 11.797 9.963 -11.611 1.00 53.30 H new ATOM 0 HG22 ILE A 809 10.083 10.211 -11.200 1.00 53.30 H new ATOM 0 HG23 ILE A 809 10.537 9.673 -12.834 1.00 53.30 H new ATOM 0 HD11 ILE A 809 13.493 13.451 -14.041 1.00 63.40 H new ATOM 0 HD12 ILE A 809 11.956 14.112 -13.436 1.00 63.40 H new ATOM 0 HD13 ILE A 809 13.131 13.409 -12.299 1.00 63.40 H new ATOM 453 N LYS A 810 7.591 10.935 -13.220 1.00 3.12 N ATOM 454 CA LYS A 810 6.403 10.230 -12.771 1.00 55.13 C ATOM 455 C LYS A 810 6.815 8.916 -12.105 1.00 61.24 C ATOM 456 O LYS A 810 7.324 8.013 -12.768 1.00 72.00 O ATOM 457 CB LYS A 810 5.417 10.051 -13.928 1.00 65.42 C ATOM 458 CG LYS A 810 4.290 9.090 -13.544 1.00 50.23 C ATOM 459 CD LYS A 810 3.745 9.413 -12.151 1.00 65.24 C ATOM 460 CE LYS A 810 2.268 9.031 -12.038 1.00 62.12 C ATOM 461 NZ LYS A 810 1.783 9.241 -10.656 1.00 21.12 N ATOM 0 H LYS A 810 7.752 10.902 -14.227 1.00 3.12 H new ATOM 0 HA LYS A 810 5.874 10.816 -12.019 1.00 55.13 H new ATOM 0 HB2 LYS A 810 4.997 11.018 -14.205 1.00 65.42 H new ATOM 0 HB3 LYS A 810 5.943 9.669 -14.803 1.00 65.42 H new ATOM 0 HG2 LYS A 810 3.486 9.155 -14.277 1.00 50.23 H new ATOM 0 HG3 LYS A 810 4.659 8.064 -13.565 1.00 50.23 H new ATOM 0 HD2 LYS A 810 4.322 8.876 -11.398 1.00 65.24 H new ATOM 0 HD3 LYS A 810 3.866 10.477 -11.947 1.00 65.24 H new ATOM 0 HE2 LYS A 810 1.677 9.629 -12.732 1.00 62.12 H new ATOM 0 HE3 LYS A 810 2.133 7.987 -12.322 1.00 62.12 H new ATOM 0 HZ1 LYS A 810 0.779 8.977 -10.597 1.00 21.12 H new ATOM 0 HZ2 LYS A 810 2.335 8.652 -10.001 1.00 21.12 H new ATOM 0 HZ3 LYS A 810 1.893 10.242 -10.398 1.00 21.12 H new ATOM 474 N ILE A 811 6.580 8.850 -10.803 1.00 45.21 N ATOM 475 CA ILE A 811 6.921 7.661 -10.040 1.00 44.42 C ATOM 476 C ILE A 811 5.949 6.536 -10.397 1.00 35.45 C ATOM 477 O ILE A 811 4.742 6.665 -10.193 1.00 24.14 O ATOM 478 CB ILE A 811 6.971 7.981 -8.545 1.00 24.43 C ATOM 479 CG1 ILE A 811 7.808 9.234 -8.279 1.00 52.03 C ATOM 480 CG2 ILE A 811 7.472 6.777 -7.744 1.00 3.13 C ATOM 481 CD1 ILE A 811 9.287 8.880 -8.109 1.00 14.41 C ATOM 0 H ILE A 811 6.157 9.601 -10.257 1.00 45.21 H new ATOM 0 HA ILE A 811 7.920 7.313 -10.301 1.00 44.42 H new ATOM 0 HB ILE A 811 5.957 8.194 -8.207 1.00 24.43 H new ATOM 0 HG12 ILE A 811 7.691 9.936 -9.105 1.00 52.03 H new ATOM 0 HG13 ILE A 811 7.445 9.734 -7.381 1.00 52.03 H new ATOM 0 HG21 ILE A 811 7.498 7.031 -6.684 1.00 3.13 H new ATOM 0 HG22 ILE A 811 6.801 5.932 -7.899 1.00 3.13 H new ATOM 0 HG23 ILE A 811 8.474 6.509 -8.078 1.00 3.13 H new ATOM 0 HD11 ILE A 811 9.859 9.788 -7.921 1.00 14.41 H new ATOM 0 HD12 ILE A 811 9.403 8.197 -7.267 1.00 14.41 H new ATOM 0 HD13 ILE A 811 9.653 8.402 -9.017 1.00 14.41 H new ATOM 493 N LEU A 812 6.509 5.457 -10.923 1.00 22.33 N ATOM 494 CA LEU A 812 5.706 4.309 -11.309 1.00 63.04 C ATOM 495 C LEU A 812 6.024 3.134 -10.382 1.00 15.42 C ATOM 496 O LEU A 812 5.119 2.528 -9.811 1.00 34.15 O ATOM 497 CB LEU A 812 5.904 3.992 -12.793 1.00 24.10 C ATOM 498 CG LEU A 812 5.976 5.197 -13.733 1.00 1.23 C ATOM 499 CD1 LEU A 812 6.894 4.911 -14.923 1.00 30.23 C ATOM 500 CD2 LEU A 812 4.578 5.629 -14.178 1.00 74.15 C ATOM 0 H LEU A 812 7.510 5.353 -11.091 1.00 22.33 H new ATOM 0 HA LEU A 812 4.645 4.530 -11.192 1.00 63.04 H new ATOM 0 HB2 LEU A 812 6.823 3.416 -12.902 1.00 24.10 H new ATOM 0 HB3 LEU A 812 5.086 3.350 -13.119 1.00 24.10 H new ATOM 0 HG LEU A 812 6.412 6.032 -13.185 1.00 1.23 H new ATOM 0 HD11 LEU A 812 6.927 5.784 -15.575 1.00 30.23 H new ATOM 0 HD12 LEU A 812 7.898 4.689 -14.563 1.00 30.23 H new ATOM 0 HD13 LEU A 812 6.511 4.056 -15.480 1.00 30.23 H new ATOM 0 HD21 LEU A 812 4.658 6.487 -14.845 1.00 74.15 H new ATOM 0 HD22 LEU A 812 4.092 4.806 -14.702 1.00 74.15 H new ATOM 0 HD23 LEU A 812 3.986 5.902 -13.304 1.00 74.15 H new ATOM 512 N ASN A 813 7.312 2.849 -10.261 1.00 34.44 N ATOM 513 CA ASN A 813 7.759 1.757 -9.412 1.00 45.31 C ATOM 514 C ASN A 813 8.710 2.304 -8.345 1.00 60.11 C ATOM 515 O ASN A 813 9.525 3.182 -8.625 1.00 71.44 O ATOM 516 CB ASN A 813 8.515 0.703 -10.224 1.00 3.35 C ATOM 517 CG ASN A 813 8.309 -0.694 -9.635 1.00 1.32 C ATOM 518 OD1 ASN A 813 8.931 -0.889 -8.475 1.00 24.10 O flip ATOM 519 ND2 ASN A 813 7.630 -1.538 -10.196 1.00 73.44 N flip ATOM 0 H ASN A 813 8.060 3.354 -10.736 1.00 34.44 H new ATOM 0 HA ASN A 813 6.880 1.300 -8.958 1.00 45.31 H new ATOM 0 HB2 ASN A 813 8.171 0.720 -11.258 1.00 3.35 H new ATOM 0 HB3 ASN A 813 9.578 0.943 -10.238 1.00 3.35 H new ATOM 0 HD21 ASN A 813 7.180 -1.322 -11.085 1.00 73.44 H new ATOM 0 HD22 ASN A 813 7.512 -2.460 -9.776 1.00 73.44 H new ATOM 526 N LYS A 814 8.574 1.762 -7.144 1.00 1.13 N ATOM 527 CA LYS A 814 9.411 2.184 -6.033 1.00 52.42 C ATOM 528 C LYS A 814 10.148 0.970 -5.465 1.00 40.12 C ATOM 529 O LYS A 814 9.772 0.445 -4.418 1.00 5.40 O ATOM 530 CB LYS A 814 8.581 2.941 -4.994 1.00 54.25 C ATOM 531 CG LYS A 814 9.436 3.969 -4.252 1.00 44.50 C ATOM 532 CD LYS A 814 9.323 5.349 -4.903 1.00 2.50 C ATOM 533 CE LYS A 814 8.076 6.087 -4.412 1.00 33.42 C ATOM 534 NZ LYS A 814 6.859 5.517 -5.033 1.00 40.42 N ATOM 0 H LYS A 814 7.897 1.034 -6.915 1.00 1.13 H new ATOM 0 HA LYS A 814 10.171 2.887 -6.374 1.00 52.42 H new ATOM 0 HB2 LYS A 814 7.747 3.443 -5.485 1.00 54.25 H new ATOM 0 HB3 LYS A 814 8.154 2.236 -4.281 1.00 54.25 H new ATOM 0 HG2 LYS A 814 9.119 4.027 -3.211 1.00 44.50 H new ATOM 0 HG3 LYS A 814 10.478 3.648 -4.251 1.00 44.50 H new ATOM 0 HD2 LYS A 814 10.212 5.937 -4.674 1.00 2.50 H new ATOM 0 HD3 LYS A 814 9.283 5.241 -5.987 1.00 2.50 H new ATOM 0 HE2 LYS A 814 8.006 6.014 -3.327 1.00 33.42 H new ATOM 0 HE3 LYS A 814 8.154 7.147 -4.655 1.00 33.42 H new ATOM 0 HZ1 LYS A 814 6.162 6.273 -5.189 1.00 40.42 H new ATOM 0 HZ2 LYS A 814 7.106 5.081 -5.944 1.00 40.42 H new ATOM 0 HZ3 LYS A 814 6.453 4.796 -4.403 1.00 40.42 H new ATOM 609 N GLY A 819 17.815 3.144 -3.364 1.00 21.45 N ATOM 610 CA GLY A 819 18.296 2.684 -4.655 1.00 62.32 C ATOM 611 C GLY A 819 17.869 3.639 -5.771 1.00 52.03 C ATOM 612 O GLY A 819 18.437 4.720 -5.920 1.00 64.40 O ATOM 0 HA2 GLY A 819 19.383 2.605 -4.635 1.00 62.32 H new ATOM 0 HA3 GLY A 819 17.908 1.686 -4.857 1.00 62.32 H new ATOM 616 N TRP A 820 16.871 3.206 -6.527 1.00 73.13 N ATOM 617 CA TRP A 820 16.361 4.009 -7.625 1.00 55.25 C ATOM 618 C TRP A 820 14.842 3.830 -7.677 1.00 31.22 C ATOM 619 O TRP A 820 14.287 2.996 -6.962 1.00 42.15 O ATOM 620 CB TRP A 820 17.051 3.641 -8.940 1.00 54.54 C ATOM 621 CG TRP A 820 16.841 2.187 -9.368 1.00 0.41 C ATOM 622 CD1 TRP A 820 16.094 1.250 -8.768 1.00 3.53 C ATOM 623 CD2 TRP A 820 17.419 1.538 -10.520 1.00 53.21 C ATOM 624 NE1 TRP A 820 16.148 0.050 -9.446 1.00 22.31 N ATOM 625 CE2 TRP A 820 16.979 0.230 -10.545 1.00 41.45 C ATOM 626 CE3 TRP A 820 18.284 2.040 -11.508 1.00 60.54 C ATOM 627 CZ2 TRP A 820 17.352 -0.685 -11.537 1.00 50.33 C ATOM 628 CZ3 TRP A 820 18.647 1.112 -12.493 1.00 4.44 C ATOM 629 CH2 TRP A 820 18.214 -0.208 -12.532 1.00 54.52 C ATOM 0 H TRP A 820 16.402 2.309 -6.401 1.00 73.13 H new ATOM 0 HA TRP A 820 16.582 5.064 -7.465 1.00 55.25 H new ATOM 0 HB2 TRP A 820 16.682 4.298 -9.728 1.00 54.54 H new ATOM 0 HB3 TRP A 820 18.120 3.829 -8.842 1.00 54.54 H new ATOM 0 HD1 TRP A 820 15.522 1.414 -7.867 1.00 3.53 H new ATOM 0 HE1 TRP A 820 15.666 -0.811 -9.188 1.00 22.31 H new ATOM 0 HE3 TRP A 820 18.640 3.060 -11.508 1.00 60.54 H new ATOM 0 HZ2 TRP A 820 16.994 -1.704 -11.535 1.00 50.33 H new ATOM 0 HZ3 TRP A 820 19.310 1.446 -13.277 1.00 4.44 H new ATOM 0 HH2 TRP A 820 18.541 -0.863 -13.326 1.00 54.52 H new ATOM 640 N TRP A 821 14.213 4.626 -8.529 1.00 34.15 N ATOM 641 CA TRP A 821 12.769 4.566 -8.682 1.00 71.54 C ATOM 642 C TRP A 821 12.454 4.519 -10.179 1.00 45.21 C ATOM 643 O TRP A 821 13.047 5.257 -10.965 1.00 3.03 O ATOM 644 CB TRP A 821 12.092 5.735 -7.965 1.00 52.02 C ATOM 645 CG TRP A 821 12.234 5.698 -6.442 1.00 62.33 C ATOM 646 CD1 TRP A 821 12.165 4.632 -5.633 1.00 72.21 C ATOM 647 CD2 TRP A 821 12.475 6.825 -5.573 1.00 72.43 C ATOM 648 NE1 TRP A 821 12.342 4.988 -4.312 1.00 22.35 N ATOM 649 CE2 TRP A 821 12.537 6.364 -4.274 1.00 72.52 C ATOM 650 CE3 TRP A 821 12.635 8.188 -5.875 1.00 52.42 C ATOM 651 CZ2 TRP A 821 12.760 7.200 -3.174 1.00 35.23 C ATOM 652 CZ3 TRP A 821 12.857 9.011 -4.764 1.00 54.23 C ATOM 653 CH2 TRP A 821 12.922 8.563 -3.450 1.00 73.43 C ATOM 0 H TRP A 821 14.676 5.316 -9.120 1.00 34.15 H new ATOM 0 HA TRP A 821 12.369 3.667 -8.213 1.00 71.54 H new ATOM 0 HB2 TRP A 821 12.514 6.669 -8.336 1.00 52.02 H new ATOM 0 HB3 TRP A 821 11.032 5.740 -8.221 1.00 52.02 H new ATOM 0 HD1 TRP A 821 11.993 3.621 -5.972 1.00 72.21 H new ATOM 0 HE1 TRP A 821 12.332 4.357 -3.510 1.00 22.35 H new ATOM 0 HE3 TRP A 821 12.590 8.571 -6.884 1.00 52.42 H new ATOM 0 HZ2 TRP A 821 12.805 6.814 -2.166 1.00 35.23 H new ATOM 0 HZ3 TRP A 821 12.987 10.068 -4.941 1.00 54.23 H new ATOM 0 HH2 TRP A 821 13.097 9.263 -2.646 1.00 73.43 H new ATOM 664 N ARG A 822 11.522 3.645 -10.529 1.00 24.05 N ATOM 665 CA ARG A 822 11.122 3.493 -11.917 1.00 70.30 C ATOM 666 C ARG A 822 10.061 4.534 -12.281 1.00 21.53 C ATOM 667 O ARG A 822 8.980 4.553 -11.695 1.00 54.42 O ATOM 668 CB ARG A 822 10.564 2.093 -12.179 1.00 33.51 C ATOM 669 CG ARG A 822 10.762 1.688 -13.641 1.00 21.30 C ATOM 670 CD ARG A 822 9.654 0.740 -14.103 1.00 34.43 C ATOM 671 NE ARG A 822 8.329 1.302 -13.755 1.00 64.22 N ATOM 672 CZ ARG A 822 7.220 0.559 -13.556 1.00 61.44 C ATOM 673 NH1 ARG A 822 7.267 -0.786 -13.669 1.00 53.24 N ATOM 674 NH2 ARG A 822 6.089 1.166 -13.250 1.00 50.30 N ATOM 0 H ARG A 822 11.032 3.035 -9.875 1.00 24.05 H new ATOM 0 HA ARG A 822 12.008 3.640 -12.535 1.00 70.30 H new ATOM 0 HB2 ARG A 822 11.060 1.373 -11.528 1.00 33.51 H new ATOM 0 HB3 ARG A 822 9.503 2.069 -11.932 1.00 33.51 H new ATOM 0 HG2 ARG A 822 10.770 2.578 -14.271 1.00 21.30 H new ATOM 0 HG3 ARG A 822 11.732 1.205 -13.760 1.00 21.30 H new ATOM 0 HD2 ARG A 822 9.721 0.586 -15.180 1.00 34.43 H new ATOM 0 HD3 ARG A 822 9.779 -0.235 -13.633 1.00 34.43 H new ATOM 0 HE ARG A 822 8.249 2.314 -13.660 1.00 64.22 H new ATOM 0 HH11 ARG A 822 8.145 -1.247 -13.906 1.00 53.24 H new ATOM 0 HH12 ARG A 822 6.424 -1.340 -13.517 1.00 53.24 H new ATOM 0 HH21 ARG A 822 6.062 2.182 -13.167 1.00 50.30 H new ATOM 0 HH22 ARG A 822 5.242 0.619 -13.096 1.00 50.30 H new ATOM 687 N GLY A 823 10.408 5.373 -13.245 1.00 52.03 N ATOM 688 CA GLY A 823 9.499 6.414 -13.694 1.00 12.10 C ATOM 689 C GLY A 823 9.560 6.578 -15.214 1.00 71.40 C ATOM 690 O GLY A 823 9.993 5.670 -15.923 1.00 4.44 O ATOM 0 H GLY A 823 11.306 5.353 -13.728 1.00 52.03 H new ATOM 0 HA2 GLY A 823 8.481 6.168 -13.392 1.00 12.10 H new ATOM 0 HA3 GLY A 823 9.755 7.358 -13.212 1.00 12.10 H new ATOM 694 N GLU A 824 9.119 7.741 -15.670 1.00 62.22 N ATOM 695 CA GLU A 824 9.118 8.035 -17.093 1.00 63.12 C ATOM 696 C GLU A 824 9.088 9.547 -17.323 1.00 3.34 C ATOM 697 O GLU A 824 8.698 10.306 -16.436 1.00 71.53 O ATOM 698 CB GLU A 824 7.943 7.351 -17.794 1.00 32.33 C ATOM 699 CG GLU A 824 7.633 8.026 -19.131 1.00 62.13 C ATOM 700 CD GLU A 824 6.450 7.349 -19.826 1.00 60.02 C ATOM 701 OE1 GLU A 824 6.633 6.692 -20.862 1.00 55.20 O ATOM 702 OE2 GLU A 824 5.308 7.523 -19.252 1.00 40.31 O ATOM 0 H GLU A 824 8.760 8.491 -15.079 1.00 62.22 H new ATOM 0 HA GLU A 824 10.037 7.639 -17.526 1.00 63.12 H new ATOM 0 HB2 GLU A 824 8.176 6.299 -17.959 1.00 32.33 H new ATOM 0 HB3 GLU A 824 7.062 7.385 -17.153 1.00 32.33 H new ATOM 0 HG2 GLU A 824 7.408 9.080 -18.967 1.00 62.13 H new ATOM 0 HG3 GLU A 824 8.511 7.984 -19.776 1.00 62.13 H new ATOM 710 N ILE A 825 9.506 9.941 -18.517 1.00 33.11 N ATOM 711 CA ILE A 825 9.532 11.349 -18.874 1.00 54.10 C ATOM 712 C ILE A 825 9.368 11.490 -20.389 1.00 22.32 C ATOM 713 O ILE A 825 10.062 10.824 -21.156 1.00 51.00 O ATOM 714 CB ILE A 825 10.795 12.017 -18.327 1.00 55.51 C ATOM 715 CG1 ILE A 825 10.627 12.381 -16.850 1.00 71.13 C ATOM 716 CG2 ILE A 825 11.184 13.230 -19.175 1.00 63.11 C ATOM 717 CD1 ILE A 825 11.649 13.438 -16.426 1.00 72.33 C ATOM 0 H ILE A 825 9.829 9.309 -19.250 1.00 33.11 H new ATOM 0 HA ILE A 825 8.696 11.875 -18.413 1.00 54.10 H new ATOM 0 HB ILE A 825 11.615 11.302 -18.391 1.00 55.51 H new ATOM 0 HG12 ILE A 825 9.618 12.755 -16.677 1.00 71.13 H new ATOM 0 HG13 ILE A 825 10.746 11.488 -16.236 1.00 71.13 H new ATOM 0 HG21 ILE A 825 12.085 13.687 -18.765 1.00 63.11 H new ATOM 0 HG22 ILE A 825 11.373 12.912 -20.200 1.00 63.11 H new ATOM 0 HG23 ILE A 825 10.372 13.957 -19.165 1.00 63.11 H new ATOM 0 HD11 ILE A 825 11.508 13.679 -15.372 1.00 72.33 H new ATOM 0 HD12 ILE A 825 12.657 13.051 -16.578 1.00 72.33 H new ATOM 0 HD13 ILE A 825 11.512 14.338 -17.025 1.00 72.33 H new ATOM 729 N TYR A 826 8.447 12.360 -20.774 1.00 52.31 N ATOM 730 CA TYR A 826 8.183 12.597 -22.183 1.00 64.24 C ATOM 731 C TYR A 826 7.844 11.291 -22.904 1.00 60.35 C ATOM 732 O TYR A 826 8.066 11.166 -24.108 1.00 14.20 O ATOM 733 CB TYR A 826 9.480 13.165 -22.765 1.00 74.41 C ATOM 734 CG TYR A 826 9.919 14.487 -22.133 1.00 33.34 C ATOM 735 CD1 TYR A 826 8.972 15.404 -21.724 1.00 42.33 C ATOM 736 CD2 TYR A 826 11.261 14.762 -21.970 1.00 65.34 C ATOM 737 CE1 TYR A 826 9.386 16.649 -21.129 1.00 74.31 C ATOM 738 CE2 TYR A 826 11.675 16.006 -21.375 1.00 52.01 C ATOM 739 CZ TYR A 826 10.716 16.888 -20.984 1.00 5.11 C ATOM 740 OH TYR A 826 11.107 18.063 -20.422 1.00 11.33 O ATOM 0 H TYR A 826 7.874 12.910 -20.134 1.00 52.31 H new ATOM 0 HA TYR A 826 7.337 13.273 -22.307 1.00 64.24 H new ATOM 0 HB2 TYR A 826 10.276 12.431 -22.637 1.00 74.41 H new ATOM 0 HB3 TYR A 826 9.351 13.312 -23.837 1.00 74.41 H new ATOM 0 HD1 TYR A 826 7.921 15.188 -21.850 1.00 42.33 H new ATOM 0 HD2 TYR A 826 12.002 14.044 -22.289 1.00 65.34 H new ATOM 0 HE1 TYR A 826 8.656 17.376 -20.805 1.00 74.31 H new ATOM 0 HE2 TYR A 826 12.722 16.234 -21.242 1.00 52.01 H new ATOM 0 HH TYR A 826 12.078 18.057 -20.293 1.00 11.33 H new ATOM 750 N GLY A 827 7.312 10.350 -22.138 1.00 71.01 N ATOM 751 CA GLY A 827 6.940 9.058 -22.689 1.00 33.22 C ATOM 752 C GLY A 827 8.149 8.123 -22.758 1.00 74.50 C ATOM 753 O GLY A 827 8.131 7.132 -23.487 1.00 53.01 O ATOM 0 H GLY A 827 7.130 10.457 -21.140 1.00 71.01 H new ATOM 0 HA2 GLY A 827 6.161 8.607 -22.074 1.00 33.22 H new ATOM 0 HA3 GLY A 827 6.521 9.191 -23.686 1.00 33.22 H new ATOM 757 N ARG A 828 9.170 8.470 -21.989 1.00 42.13 N ATOM 758 CA ARG A 828 10.385 7.674 -21.954 1.00 63.02 C ATOM 759 C ARG A 828 10.505 6.947 -20.613 1.00 43.41 C ATOM 760 O ARG A 828 10.682 7.581 -19.574 1.00 31.24 O ATOM 761 CB ARG A 828 11.623 8.548 -22.165 1.00 51.33 C ATOM 762 CG ARG A 828 11.613 9.186 -23.556 1.00 13.41 C ATOM 763 CD ARG A 828 13.033 9.526 -24.014 1.00 14.23 C ATOM 764 NE ARG A 828 13.034 9.854 -25.457 1.00 23.11 N ATOM 765 CZ ARG A 828 14.152 10.055 -26.186 1.00 65.31 C ATOM 766 NH1 ARG A 828 15.371 9.963 -25.612 1.00 33.13 N ATOM 767 NH2 ARG A 828 14.037 10.342 -27.469 1.00 52.52 N ATOM 0 H ARG A 828 9.181 9.292 -21.385 1.00 42.13 H new ATOM 0 HA ARG A 828 10.327 6.945 -22.762 1.00 63.02 H new ATOM 0 HB2 ARG A 828 11.656 9.327 -21.404 1.00 51.33 H new ATOM 0 HB3 ARG A 828 12.523 7.945 -22.044 1.00 51.33 H new ATOM 0 HG2 ARG A 828 11.151 8.504 -24.269 1.00 13.41 H new ATOM 0 HG3 ARG A 828 11.006 10.091 -23.541 1.00 13.41 H new ATOM 0 HD2 ARG A 828 13.417 10.370 -23.441 1.00 14.23 H new ATOM 0 HD3 ARG A 828 13.697 8.683 -23.824 1.00 14.23 H new ATOM 0 HE ARG A 828 12.134 9.933 -25.930 1.00 23.11 H new ATOM 0 HH11 ARG A 828 15.452 9.740 -24.620 1.00 33.13 H new ATOM 0 HH12 ARG A 828 16.211 10.116 -26.171 1.00 33.13 H new ATOM 0 HH21 ARG A 828 13.113 10.409 -27.896 1.00 52.52 H new ATOM 0 HH22 ARG A 828 14.872 10.497 -28.034 1.00 52.52 H new ATOM 780 N ILE A 829 10.405 5.628 -20.680 1.00 15.10 N ATOM 781 CA ILE A 829 10.500 4.809 -19.484 1.00 34.42 C ATOM 782 C ILE A 829 11.969 4.479 -19.212 1.00 73.44 C ATOM 783 O ILE A 829 12.800 4.538 -20.117 1.00 55.44 O ATOM 784 CB ILE A 829 9.605 3.574 -19.608 1.00 33.23 C ATOM 785 CG1 ILE A 829 8.165 3.971 -19.940 1.00 11.32 C ATOM 786 CG2 ILE A 829 9.685 2.710 -18.347 1.00 73.04 C ATOM 787 CD1 ILE A 829 7.342 4.165 -18.665 1.00 34.13 C ATOM 0 H ILE A 829 10.259 5.106 -21.544 1.00 15.10 H new ATOM 0 HA ILE A 829 10.130 5.357 -18.617 1.00 34.42 H new ATOM 0 HB ILE A 829 9.971 2.969 -20.437 1.00 33.23 H new ATOM 0 HG12 ILE A 829 8.163 4.893 -20.522 1.00 11.32 H new ATOM 0 HG13 ILE A 829 7.706 3.201 -20.560 1.00 11.32 H new ATOM 0 HG21 ILE A 829 9.040 1.839 -18.461 1.00 73.04 H new ATOM 0 HG22 ILE A 829 10.713 2.382 -18.195 1.00 73.04 H new ATOM 0 HG23 ILE A 829 9.359 3.293 -17.485 1.00 73.04 H new ATOM 0 HD11 ILE A 829 6.323 4.447 -18.929 1.00 34.13 H new ATOM 0 HD12 ILE A 829 7.326 3.235 -18.097 1.00 34.13 H new ATOM 0 HD13 ILE A 829 7.790 4.952 -18.059 1.00 34.13 H new ATOM 799 N GLY A 830 12.244 4.138 -17.962 1.00 62.51 N ATOM 800 CA GLY A 830 13.599 3.798 -17.560 1.00 74.01 C ATOM 801 C GLY A 830 13.737 3.809 -16.036 1.00 64.04 C ATOM 802 O GLY A 830 12.742 3.726 -15.318 1.00 42.43 O ATOM 0 H GLY A 830 11.552 4.090 -17.214 1.00 62.51 H new ATOM 0 HA2 GLY A 830 13.860 2.812 -17.945 1.00 74.01 H new ATOM 0 HA3 GLY A 830 14.301 4.508 -17.998 1.00 74.01 H new ATOM 806 N TRP A 831 14.980 3.912 -15.588 1.00 71.31 N ATOM 807 CA TRP A 831 15.262 3.935 -14.163 1.00 32.42 C ATOM 808 C TRP A 831 16.127 5.163 -13.872 1.00 35.35 C ATOM 809 O TRP A 831 16.965 5.543 -14.687 1.00 2.32 O ATOM 810 CB TRP A 831 15.912 2.625 -13.711 1.00 53.24 C ATOM 811 CG TRP A 831 15.026 1.393 -13.902 1.00 74.51 C ATOM 812 CD1 TRP A 831 14.674 0.799 -15.051 1.00 30.11 C ATOM 813 CD2 TRP A 831 14.389 0.622 -12.861 1.00 63.41 C ATOM 814 NE1 TRP A 831 13.861 -0.294 -14.828 1.00 11.44 N ATOM 815 CE2 TRP A 831 13.682 -0.405 -13.454 1.00 4.25 C ATOM 816 CE3 TRP A 831 14.411 0.786 -11.465 1.00 14.21 C ATOM 817 CZ2 TRP A 831 12.944 -1.346 -12.727 1.00 32.32 C ATOM 818 CZ3 TRP A 831 13.667 -0.163 -10.753 1.00 4.02 C ATOM 819 CH2 TRP A 831 12.950 -1.202 -11.334 1.00 63.03 C ATOM 0 H TRP A 831 15.803 3.980 -16.187 1.00 71.31 H new ATOM 0 HA TRP A 831 14.339 4.015 -13.589 1.00 32.42 H new ATOM 0 HB2 TRP A 831 16.840 2.482 -14.265 1.00 53.24 H new ATOM 0 HB3 TRP A 831 16.179 2.708 -12.657 1.00 53.24 H new ATOM 0 HD1 TRP A 831 14.987 1.134 -16.029 1.00 30.11 H new ATOM 0 HE1 TRP A 831 13.465 -0.907 -15.540 1.00 11.44 H new ATOM 0 HE3 TRP A 831 14.958 1.581 -10.980 1.00 14.21 H new ATOM 0 HZ2 TRP A 831 12.399 -2.141 -13.214 1.00 32.32 H new ATOM 0 HZ3 TRP A 831 13.649 -0.082 -9.676 1.00 4.02 H new ATOM 0 HH2 TRP A 831 12.400 -1.895 -10.714 1.00 63.03 H new ATOM 830 N PHE A 832 15.893 5.749 -12.707 1.00 35.45 N ATOM 831 CA PHE A 832 16.640 6.926 -12.297 1.00 74.14 C ATOM 832 C PHE A 832 16.902 6.912 -10.790 1.00 40.41 C ATOM 833 O PHE A 832 16.096 6.392 -10.021 1.00 14.44 O ATOM 834 CB PHE A 832 15.780 8.143 -12.643 1.00 12.45 C ATOM 835 CG PHE A 832 14.504 8.262 -11.806 1.00 61.40 C ATOM 836 CD1 PHE A 832 13.405 7.531 -12.135 1.00 24.34 C ATOM 837 CD2 PHE A 832 14.469 9.098 -10.734 1.00 21.52 C ATOM 838 CE1 PHE A 832 12.221 7.640 -11.358 1.00 45.22 C ATOM 839 CE2 PHE A 832 13.285 9.207 -9.957 1.00 42.15 C ATOM 840 CZ PHE A 832 12.186 8.476 -10.286 1.00 4.20 C ATOM 0 H PHE A 832 15.196 5.430 -12.034 1.00 35.45 H new ATOM 0 HA PHE A 832 17.604 6.951 -12.805 1.00 74.14 H new ATOM 0 HB2 PHE A 832 16.376 9.046 -12.509 1.00 12.45 H new ATOM 0 HB3 PHE A 832 15.507 8.095 -13.697 1.00 12.45 H new ATOM 0 HD1 PHE A 832 13.433 6.868 -12.987 1.00 24.34 H new ATOM 0 HD2 PHE A 832 15.341 9.679 -10.473 1.00 21.52 H new ATOM 0 HE1 PHE A 832 11.349 7.059 -11.619 1.00 45.22 H new ATOM 0 HE2 PHE A 832 13.257 9.870 -9.105 1.00 42.15 H new ATOM 0 HZ PHE A 832 11.285 8.560 -9.696 1.00 4.20 H new ATOM 850 N PRO A 833 18.063 7.506 -10.404 1.00 21.35 N ATOM 851 CA PRO A 833 18.442 7.567 -9.002 1.00 71.32 C ATOM 852 C PRO A 833 17.616 8.617 -8.256 1.00 45.02 C ATOM 853 O PRO A 833 17.234 9.635 -8.832 1.00 24.24 O ATOM 854 CB PRO A 833 19.930 7.876 -9.010 1.00 40.40 C ATOM 855 CG PRO A 833 20.232 8.435 -10.391 1.00 62.11 C ATOM 856 CD PRO A 833 19.042 8.132 -11.287 1.00 64.20 C ATOM 0 HA PRO A 833 18.246 6.635 -8.472 1.00 71.32 H new ATOM 0 HB2 PRO A 833 20.183 8.597 -8.233 1.00 40.40 H new ATOM 0 HB3 PRO A 833 20.516 6.978 -8.815 1.00 40.40 H new ATOM 0 HG2 PRO A 833 20.406 9.510 -10.338 1.00 62.11 H new ATOM 0 HG3 PRO A 833 21.139 7.985 -10.795 1.00 62.11 H new ATOM 0 HD2 PRO A 833 18.644 9.041 -11.738 1.00 64.20 H new ATOM 0 HD3 PRO A 833 19.321 7.467 -12.104 1.00 64.20 H new ATOM 864 N SER A 834 17.366 8.334 -6.986 1.00 71.14 N ATOM 865 CA SER A 834 16.593 9.242 -6.156 1.00 31.53 C ATOM 866 C SER A 834 17.496 10.350 -5.611 1.00 61.01 C ATOM 867 O SER A 834 17.053 11.187 -4.826 1.00 41.24 O ATOM 868 CB SER A 834 15.917 8.494 -5.005 1.00 21.05 C ATOM 869 OG SER A 834 16.859 8.043 -4.035 1.00 0.22 O ATOM 0 H SER A 834 17.685 7.489 -6.512 1.00 71.14 H new ATOM 0 HA SER A 834 15.813 9.689 -6.772 1.00 31.53 H new ATOM 0 HB2 SER A 834 15.188 9.148 -4.526 1.00 21.05 H new ATOM 0 HB3 SER A 834 15.367 7.640 -5.401 1.00 21.05 H new ATOM 0 HG SER A 834 16.388 7.572 -3.316 1.00 0.22 H new ATOM 875 N ASN A 835 18.746 10.319 -6.049 1.00 41.52 N ATOM 876 CA ASN A 835 19.716 11.311 -5.616 1.00 15.24 C ATOM 877 C ASN A 835 19.782 12.439 -6.648 1.00 31.42 C ATOM 878 O ASN A 835 20.318 13.510 -6.369 1.00 23.32 O ATOM 879 CB ASN A 835 21.112 10.699 -5.493 1.00 44.35 C ATOM 880 CG ASN A 835 21.168 9.683 -4.351 1.00 73.34 C ATOM 881 OD1 ASN A 835 20.286 9.605 -3.511 1.00 44.42 O ATOM 882 ND2 ASN A 835 22.250 8.909 -4.367 1.00 53.44 N ATOM 0 H ASN A 835 19.110 9.622 -6.699 1.00 41.52 H new ATOM 0 HA ASN A 835 19.401 11.688 -4.643 1.00 15.24 H new ATOM 0 HB2 ASN A 835 21.383 10.213 -6.430 1.00 44.35 H new ATOM 0 HB3 ASN A 835 21.844 11.487 -5.319 1.00 44.35 H new ATOM 0 HD21 ASN A 835 22.379 8.198 -3.647 1.00 53.44 H new ATOM 0 HD22 ASN A 835 22.950 9.027 -5.099 1.00 53.44 H new ATOM 889 N TYR A 836 19.229 12.159 -7.819 1.00 30.21 N ATOM 890 CA TYR A 836 19.219 13.136 -8.894 1.00 54.02 C ATOM 891 C TYR A 836 17.791 13.581 -9.217 1.00 12.44 C ATOM 892 O TYR A 836 17.486 13.924 -10.358 1.00 64.01 O ATOM 893 CB TYR A 836 19.807 12.426 -10.115 1.00 75.21 C ATOM 894 CG TYR A 836 21.274 12.024 -9.954 1.00 40.15 C ATOM 895 CD1 TYR A 836 21.634 11.091 -9.004 1.00 30.14 C ATOM 896 CD2 TYR A 836 22.238 12.595 -10.761 1.00 20.04 C ATOM 897 CE1 TYR A 836 23.015 10.713 -8.852 1.00 62.25 C ATOM 898 CE2 TYR A 836 23.619 12.217 -10.609 1.00 63.14 C ATOM 899 CZ TYR A 836 23.940 11.295 -9.663 1.00 33.52 C ATOM 900 OH TYR A 836 25.244 10.937 -9.520 1.00 42.50 O ATOM 0 H TYR A 836 18.785 11.270 -8.047 1.00 30.21 H new ATOM 0 HA TYR A 836 19.787 14.022 -8.612 1.00 54.02 H new ATOM 0 HB2 TYR A 836 19.217 11.533 -10.323 1.00 75.21 H new ATOM 0 HB3 TYR A 836 19.713 13.079 -10.983 1.00 75.21 H new ATOM 0 HD1 TYR A 836 20.880 10.644 -8.374 1.00 30.14 H new ATOM 0 HD2 TYR A 836 21.956 13.325 -11.506 1.00 20.04 H new ATOM 0 HE1 TYR A 836 23.310 9.984 -8.111 1.00 62.25 H new ATOM 0 HE2 TYR A 836 24.383 12.656 -11.233 1.00 63.14 H new ATOM 0 HH TYR A 836 25.792 11.431 -10.165 1.00 42.50 H new ATOM 910 N VAL A 837 16.953 13.562 -8.190 1.00 40.24 N ATOM 911 CA VAL A 837 15.565 13.960 -8.350 1.00 74.22 C ATOM 912 C VAL A 837 15.016 14.433 -7.003 1.00 32.14 C ATOM 913 O VAL A 837 15.585 14.128 -5.955 1.00 55.43 O ATOM 914 CB VAL A 837 14.757 12.809 -8.954 1.00 11.01 C ATOM 915 CG1 VAL A 837 15.334 12.384 -10.306 1.00 0.24 C ATOM 916 CG2 VAL A 837 14.688 11.623 -7.990 1.00 34.02 C ATOM 0 H VAL A 837 17.209 13.277 -7.245 1.00 40.24 H new ATOM 0 HA VAL A 837 15.485 14.796 -9.045 1.00 74.22 H new ATOM 0 HB VAL A 837 13.740 13.165 -9.121 1.00 11.01 H new ATOM 0 HG11 VAL A 837 14.741 11.565 -10.713 1.00 0.24 H new ATOM 0 HG12 VAL A 837 15.307 13.228 -10.995 1.00 0.24 H new ATOM 0 HG13 VAL A 837 16.365 12.056 -10.175 1.00 0.24 H new ATOM 0 HG21 VAL A 837 14.108 10.819 -8.443 1.00 34.02 H new ATOM 0 HG22 VAL A 837 15.696 11.268 -7.777 1.00 34.02 H new ATOM 0 HG23 VAL A 837 14.210 11.936 -7.062 1.00 34.02 H new ATOM 926 N GLU A 838 13.917 15.170 -7.073 1.00 70.31 N ATOM 927 CA GLU A 838 13.285 15.688 -5.872 1.00 20.14 C ATOM 928 C GLU A 838 12.076 14.829 -5.495 1.00 52.34 C ATOM 929 O GLU A 838 11.757 13.863 -6.187 1.00 11.14 O ATOM 930 CB GLU A 838 12.882 17.153 -6.052 1.00 64.21 C ATOM 931 CG GLU A 838 14.108 18.067 -6.013 1.00 44.30 C ATOM 932 CD GLU A 838 13.745 19.449 -5.464 1.00 71.53 C ATOM 933 OE1 GLU A 838 13.483 20.376 -6.244 1.00 42.23 O ATOM 934 OE2 GLU A 838 13.739 19.540 -4.178 1.00 33.34 O ATOM 0 H GLU A 838 13.448 15.421 -7.943 1.00 70.31 H new ATOM 0 HA GLU A 838 14.007 15.642 -5.057 1.00 20.14 H new ATOM 0 HB2 GLU A 838 12.362 17.277 -7.002 1.00 64.21 H new ATOM 0 HB3 GLU A 838 12.184 17.441 -5.266 1.00 64.21 H new ATOM 0 HG2 GLU A 838 14.882 17.617 -5.391 1.00 44.30 H new ATOM 0 HG3 GLU A 838 14.523 18.168 -7.016 1.00 44.30 H new ATOM 942 N GLU A 839 11.436 15.213 -4.401 1.00 34.34 N ATOM 943 CA GLU A 839 10.269 14.490 -3.924 1.00 54.02 C ATOM 944 C GLU A 839 9.376 15.413 -3.092 1.00 72.12 C ATOM 945 O GLU A 839 9.853 16.089 -2.182 1.00 41.34 O ATOM 946 CB GLU A 839 10.679 13.254 -3.121 1.00 40.21 C ATOM 947 CG GLU A 839 11.330 12.205 -4.024 1.00 63.22 C ATOM 948 CD GLU A 839 12.833 12.458 -4.163 1.00 72.25 C ATOM 949 OE1 GLU A 839 13.487 12.856 -3.189 1.00 4.43 O ATOM 950 OE2 GLU A 839 13.319 12.224 -5.336 1.00 13.45 O ATOM 0 H GLU A 839 11.703 16.015 -3.831 1.00 34.34 H new ATOM 0 HA GLU A 839 9.700 14.148 -4.788 1.00 54.02 H new ATOM 0 HB2 GLU A 839 11.374 13.542 -2.333 1.00 40.21 H new ATOM 0 HB3 GLU A 839 9.803 12.826 -2.633 1.00 40.21 H new ATOM 0 HG2 GLU A 839 11.162 11.210 -3.612 1.00 63.22 H new ATOM 0 HG3 GLU A 839 10.862 12.226 -5.008 1.00 63.22 H new ATOM 958 N ASP A 840 8.096 15.411 -3.434 1.00 33.01 N ATOM 959 CA ASP A 840 7.132 16.240 -2.730 1.00 30.32 C ATOM 960 C ASP A 840 7.746 17.615 -2.464 1.00 44.54 C ATOM 961 O ASP A 840 7.401 18.275 -1.485 1.00 50.24 O ATOM 962 CB ASP A 840 6.755 15.622 -1.382 1.00 4.13 C ATOM 963 CG ASP A 840 5.757 16.434 -0.555 1.00 12.34 C ATOM 964 OD1 ASP A 840 4.619 16.676 -0.984 1.00 41.03 O ATOM 965 OD2 ASP A 840 6.194 16.831 0.592 1.00 20.35 O ATOM 0 H ASP A 840 7.704 14.849 -4.189 1.00 33.01 H new ATOM 0 HA ASP A 840 6.240 16.322 -3.352 1.00 30.32 H new ATOM 0 HB2 ASP A 840 6.337 14.631 -1.558 1.00 4.13 H new ATOM 0 HB3 ASP A 840 7.663 15.485 -0.795 1.00 4.13 H new ATOM 971 N TYR A 841 8.647 18.008 -3.354 1.00 32.42 N ATOM 972 CA TYR A 841 9.313 19.293 -3.228 1.00 33.10 C ATOM 973 C TYR A 841 8.298 20.416 -3.004 1.00 43.44 C ATOM 974 O TYR A 841 8.584 21.385 -2.302 1.00 31.33 O ATOM 975 CB TYR A 841 10.031 19.528 -4.558 1.00 71.23 C ATOM 976 CG TYR A 841 9.213 19.124 -5.787 1.00 22.24 C ATOM 977 CD1 TYR A 841 8.288 19.999 -6.318 1.00 43.33 C ATOM 978 CD2 TYR A 841 9.400 17.884 -6.363 1.00 65.21 C ATOM 979 CE1 TYR A 841 7.519 19.619 -7.474 1.00 53.15 C ATOM 980 CE2 TYR A 841 8.631 17.504 -7.519 1.00 71.43 C ATOM 981 CZ TYR A 841 7.728 18.390 -8.018 1.00 11.01 C ATOM 982 OH TYR A 841 7.001 18.031 -9.110 1.00 20.12 O ATOM 0 H TYR A 841 8.931 17.458 -4.165 1.00 32.42 H new ATOM 0 HA TYR A 841 9.997 19.290 -2.379 1.00 33.10 H new ATOM 0 HB2 TYR A 841 10.290 20.584 -4.638 1.00 71.23 H new ATOM 0 HB3 TYR A 841 10.967 18.969 -4.558 1.00 71.23 H new ATOM 0 HD1 TYR A 841 8.141 20.969 -5.866 1.00 43.33 H new ATOM 0 HD2 TYR A 841 10.123 17.199 -5.946 1.00 65.21 H new ATOM 0 HE1 TYR A 841 6.792 20.295 -7.900 1.00 53.15 H new ATOM 0 HE2 TYR A 841 8.768 16.537 -7.980 1.00 71.43 H new ATOM 0 HH TYR A 841 6.779 18.830 -9.632 1.00 20.12 H new