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= -0.422 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= 0.00686 USER MOD Single : A 799 SER OG : rot -26:sc= -0.907! USER MOD Single : A 802 SER OG : rot 180:sc= 0 USER MOD Single : A 804 LYS NZ :NH3+ 156:sc= -0.0765 (180deg=-0.561) USER MOD Single : A 810 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 813 ASN : amide:sc= -1.85 K(o=-1.8,f=-0.024) USER MOD Single : A 814 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.00456) USER MOD Single : A 826 TYR OH : rot 156:sc= 0.863 USER MOD Single : A 834 SER OG : rot 105:sc= -0.779! USER MOD Single : A 835 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 836 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N GLY A 785 4.084 10.632 -6.753 1.00 21.41 N ATOM 64 CA GLY A 785 3.345 11.056 -7.930 1.00 45.20 C ATOM 65 C GLY A 785 4.294 11.375 -9.087 1.00 43.41 C ATOM 66 O GLY A 785 4.122 10.868 -10.194 1.00 55.02 O ATOM 0 HA2 GLY A 785 2.651 10.271 -8.230 1.00 45.20 H new ATOM 0 HA3 GLY A 785 2.748 11.936 -7.691 1.00 45.20 H new ATOM 70 N THR A 786 5.276 12.215 -8.791 1.00 72.32 N ATOM 71 CA THR A 786 6.252 12.608 -9.793 1.00 62.50 C ATOM 72 C THR A 786 7.555 13.050 -9.123 1.00 53.25 C ATOM 73 O THR A 786 7.610 13.203 -7.904 1.00 75.52 O ATOM 74 CB THR A 786 5.621 13.691 -10.669 1.00 54.13 C ATOM 75 OG1 THR A 786 4.874 14.487 -9.753 1.00 42.21 O ATOM 76 CG2 THR A 786 4.564 13.131 -11.623 1.00 35.41 C ATOM 0 H THR A 786 5.416 12.634 -7.872 1.00 72.32 H new ATOM 0 HA THR A 786 6.521 11.768 -10.434 1.00 62.50 H new ATOM 0 HB THR A 786 6.400 14.192 -11.244 1.00 54.13 H new ATOM 0 HG1 THR A 786 4.433 15.216 -10.237 1.00 42.21 H new ATOM 0 HG21 THR A 786 4.148 13.942 -12.221 1.00 35.41 H new ATOM 0 HG22 THR A 786 5.022 12.393 -12.281 1.00 35.41 H new ATOM 0 HG23 THR A 786 3.768 12.659 -11.047 1.00 35.41 H new ATOM 84 N ALA A 787 8.571 13.244 -9.950 1.00 44.25 N ATOM 85 CA ALA A 787 9.870 13.666 -9.454 1.00 1.42 C ATOM 86 C ALA A 787 10.522 14.603 -10.473 1.00 75.35 C ATOM 87 O ALA A 787 10.918 14.170 -11.554 1.00 65.32 O ATOM 88 CB ALA A 787 10.730 12.435 -9.161 1.00 14.15 C ATOM 0 H ALA A 787 8.521 13.117 -10.961 1.00 44.25 H new ATOM 0 HA ALA A 787 9.762 14.218 -8.521 1.00 1.42 H new ATOM 0 HB1 ALA A 787 11.704 12.752 -8.789 1.00 14.15 H new ATOM 0 HB2 ALA A 787 10.238 11.818 -8.409 1.00 14.15 H new ATOM 0 HB3 ALA A 787 10.861 11.857 -10.076 1.00 14.15 H new ATOM 94 N LYS A 788 10.611 15.869 -10.094 1.00 23.24 N ATOM 95 CA LYS A 788 11.208 16.870 -10.961 1.00 52.15 C ATOM 96 C LYS A 788 12.725 16.675 -10.990 1.00 40.12 C ATOM 97 O LYS A 788 13.393 16.823 -9.968 1.00 11.01 O ATOM 98 CB LYS A 788 10.776 18.275 -10.535 1.00 21.41 C ATOM 99 CG LYS A 788 10.654 19.202 -11.746 1.00 10.04 C ATOM 100 CD LYS A 788 9.686 20.352 -11.460 1.00 30.01 C ATOM 101 CE LYS A 788 10.130 21.632 -12.171 1.00 23.05 C ATOM 102 NZ LYS A 788 9.119 22.699 -11.997 1.00 22.21 N ATOM 0 H LYS A 788 10.279 16.225 -9.197 1.00 23.24 H new ATOM 0 HA LYS A 788 10.852 16.749 -11.984 1.00 52.15 H new ATOM 0 HB2 LYS A 788 9.820 18.223 -10.014 1.00 21.41 H new ATOM 0 HB3 LYS A 788 11.500 18.684 -9.831 1.00 21.41 H new ATOM 0 HG2 LYS A 788 11.635 19.603 -12.002 1.00 10.04 H new ATOM 0 HG3 LYS A 788 10.306 18.635 -12.609 1.00 10.04 H new ATOM 0 HD2 LYS A 788 8.683 20.078 -11.789 1.00 30.01 H new ATOM 0 HD3 LYS A 788 9.632 20.528 -10.386 1.00 30.01 H new ATOM 0 HE2 LYS A 788 11.089 21.963 -11.772 1.00 23.05 H new ATOM 0 HE3 LYS A 788 10.278 21.433 -13.232 1.00 23.05 H new ATOM 0 HZ1 LYS A 788 9.436 23.561 -12.486 1.00 22.21 H new ATOM 0 HZ2 LYS A 788 8.212 22.387 -12.399 1.00 22.21 H new ATOM 0 HZ3 LYS A 788 8.998 22.900 -10.984 1.00 22.21 H new ATOM 115 N ALA A 789 13.225 16.346 -12.172 1.00 40.12 N ATOM 116 CA ALA A 789 14.651 16.129 -12.348 1.00 1.45 C ATOM 117 C ALA A 789 15.405 17.413 -11.993 1.00 31.20 C ATOM 118 O ALA A 789 15.024 18.500 -12.425 1.00 24.13 O ATOM 119 CB ALA A 789 14.925 15.669 -13.781 1.00 2.23 C ATOM 0 H ALA A 789 12.668 16.224 -13.018 1.00 40.12 H new ATOM 0 HA ALA A 789 15.005 15.343 -11.681 1.00 1.45 H new ATOM 0 HB1 ALA A 789 15.995 15.506 -13.913 1.00 2.23 H new ATOM 0 HB2 ALA A 789 14.390 14.739 -13.973 1.00 2.23 H new ATOM 0 HB3 ALA A 789 14.586 16.434 -14.480 1.00 2.23 H new ATOM 125 N ARG A 790 16.460 17.244 -11.210 1.00 64.01 N ATOM 126 CA ARG A 790 17.271 18.375 -10.793 1.00 1.34 C ATOM 127 C ARG A 790 18.615 18.364 -11.523 1.00 62.44 C ATOM 128 O ARG A 790 19.409 19.292 -11.384 1.00 45.43 O ATOM 129 CB ARG A 790 17.519 18.348 -9.283 1.00 52.11 C ATOM 130 CG ARG A 790 16.232 18.644 -8.511 1.00 14.42 C ATOM 131 CD ARG A 790 15.826 20.112 -8.664 1.00 74.32 C ATOM 132 NE ARG A 790 14.956 20.275 -9.850 1.00 72.24 N ATOM 133 CZ ARG A 790 14.723 21.456 -10.461 1.00 71.14 C ATOM 134 NH1 ARG A 790 15.294 22.589 -10.002 1.00 44.41 N ATOM 135 NH2 ARG A 790 13.928 21.486 -11.515 1.00 32.33 N ATOM 0 H ARG A 790 16.772 16.341 -10.853 1.00 64.01 H new ATOM 0 HA ARG A 790 16.725 19.284 -11.045 1.00 1.34 H new ATOM 0 HB2 ARG A 790 17.906 17.371 -8.992 1.00 52.11 H new ATOM 0 HB3 ARG A 790 18.281 19.083 -9.023 1.00 52.11 H new ATOM 0 HG2 ARG A 790 15.430 18.001 -8.874 1.00 14.42 H new ATOM 0 HG3 ARG A 790 16.375 18.410 -7.456 1.00 14.42 H new ATOM 0 HD2 ARG A 790 15.302 20.448 -7.769 1.00 74.32 H new ATOM 0 HD3 ARG A 790 16.715 20.735 -8.766 1.00 74.32 H new ATOM 0 HE ARG A 790 14.504 19.443 -10.230 1.00 72.24 H new ATOM 0 HH11 ARG A 790 15.907 22.557 -9.187 1.00 44.41 H new ATOM 0 HH12 ARG A 790 15.113 23.477 -10.470 1.00 44.41 H new ATOM 0 HH21 ARG A 790 13.500 20.625 -11.856 1.00 32.33 H new ATOM 0 HH22 ARG A 790 13.742 22.370 -11.988 1.00 32.33 H new ATOM 148 N TYR A 791 18.829 17.301 -12.286 1.00 53.51 N ATOM 149 CA TYR A 791 20.063 17.157 -13.039 1.00 21.41 C ATOM 150 C TYR A 791 19.850 16.286 -14.279 1.00 40.31 C ATOM 151 O TYR A 791 19.319 15.181 -14.182 1.00 62.14 O ATOM 152 CB TYR A 791 21.049 16.456 -12.102 1.00 33.32 C ATOM 153 CG TYR A 791 21.247 17.168 -10.762 1.00 64.43 C ATOM 154 CD1 TYR A 791 22.172 18.186 -10.653 1.00 1.23 C ATOM 155 CD2 TYR A 791 20.502 16.791 -9.663 1.00 52.34 C ATOM 156 CE1 TYR A 791 22.359 18.856 -9.392 1.00 1.31 C ATOM 157 CE2 TYR A 791 20.689 17.461 -8.403 1.00 12.43 C ATOM 158 CZ TYR A 791 21.608 18.461 -8.329 1.00 62.21 C ATOM 159 OH TYR A 791 21.785 19.094 -7.138 1.00 72.34 O ATOM 0 H TYR A 791 18.168 16.532 -12.398 1.00 53.51 H new ATOM 0 HA TYR A 791 20.424 18.129 -13.375 1.00 21.41 H new ATOM 0 HB2 TYR A 791 20.697 15.441 -11.914 1.00 33.32 H new ATOM 0 HB3 TYR A 791 22.013 16.372 -12.603 1.00 33.32 H new ATOM 0 HD1 TYR A 791 22.755 18.480 -11.513 1.00 1.23 H new ATOM 0 HD2 TYR A 791 19.779 15.993 -9.749 1.00 52.34 H new ATOM 0 HE1 TYR A 791 23.080 19.654 -9.293 1.00 1.31 H new ATOM 0 HE2 TYR A 791 20.112 17.176 -7.535 1.00 12.43 H new ATOM 0 HH TYR A 791 21.181 18.708 -6.470 1.00 72.34 H new ATOM 169 N ASP A 792 20.275 16.818 -15.416 1.00 30.21 N ATOM 170 CA ASP A 792 20.137 16.103 -16.674 1.00 4.33 C ATOM 171 C ASP A 792 20.984 14.830 -16.627 1.00 60.21 C ATOM 172 O ASP A 792 22.212 14.894 -16.673 1.00 15.23 O ATOM 173 CB ASP A 792 20.627 16.954 -17.847 1.00 5.21 C ATOM 174 CG ASP A 792 20.386 18.458 -17.701 1.00 33.14 C ATOM 175 OD1 ASP A 792 21.328 19.241 -17.508 1.00 70.40 O ATOM 176 OD2 ASP A 792 19.152 18.823 -17.793 1.00 51.22 O ATOM 0 H ASP A 792 20.715 17.735 -15.492 1.00 30.21 H new ATOM 0 HA ASP A 792 19.082 15.868 -16.815 1.00 4.33 H new ATOM 0 HB2 ASP A 792 21.696 16.784 -17.978 1.00 5.21 H new ATOM 0 HB3 ASP A 792 20.135 16.609 -18.757 1.00 5.21 H new ATOM 182 N PHE A 793 20.295 13.702 -16.537 1.00 15.12 N ATOM 183 CA PHE A 793 20.968 12.415 -16.484 1.00 12.54 C ATOM 184 C PHE A 793 20.980 11.746 -17.859 1.00 63.22 C ATOM 185 O PHE A 793 19.927 11.413 -18.401 1.00 44.44 O ATOM 186 CB PHE A 793 20.179 11.538 -15.510 1.00 1.05 C ATOM 187 CG PHE A 793 21.032 10.502 -14.774 1.00 43.25 C ATOM 188 CD1 PHE A 793 22.246 10.854 -14.271 1.00 53.41 C ATOM 189 CD2 PHE A 793 20.577 9.229 -14.625 1.00 3.45 C ATOM 190 CE1 PHE A 793 23.037 9.893 -13.589 1.00 4.20 C ATOM 191 CE2 PHE A 793 21.369 8.268 -13.942 1.00 42.14 C ATOM 192 CZ PHE A 793 22.583 8.620 -13.439 1.00 54.30 C ATOM 0 H PHE A 793 19.277 13.652 -16.499 1.00 15.12 H new ATOM 0 HA PHE A 793 22.002 12.548 -16.166 1.00 12.54 H new ATOM 0 HB2 PHE A 793 19.689 12.178 -14.776 1.00 1.05 H new ATOM 0 HB3 PHE A 793 19.391 11.021 -16.059 1.00 1.05 H new ATOM 0 HD1 PHE A 793 22.608 11.865 -14.391 1.00 53.41 H new ATOM 0 HD2 PHE A 793 19.614 8.949 -15.026 1.00 3.45 H new ATOM 0 HE1 PHE A 793 24.000 10.173 -13.189 1.00 4.20 H new ATOM 0 HE2 PHE A 793 21.007 7.257 -13.822 1.00 42.14 H new ATOM 0 HZ PHE A 793 23.186 7.889 -12.921 1.00 54.30 H new ATOM 202 N CYS A 794 22.184 11.568 -18.384 1.00 74.33 N ATOM 203 CA CYS A 794 22.347 10.944 -19.686 1.00 61.33 C ATOM 204 C CYS A 794 22.297 9.426 -19.501 1.00 62.22 C ATOM 205 O CYS A 794 23.185 8.843 -18.881 1.00 45.03 O ATOM 206 CB CYS A 794 23.640 11.393 -20.371 1.00 13.14 C ATOM 207 SG CYS A 794 23.897 13.185 -20.107 1.00 1.55 S ATOM 0 H CYS A 794 23.055 11.845 -17.931 1.00 74.33 H new ATOM 0 HA CYS A 794 21.537 11.256 -20.345 1.00 61.33 H new ATOM 0 HB2 CYS A 794 24.486 10.833 -19.972 1.00 13.14 H new ATOM 0 HB3 CYS A 794 23.590 11.178 -21.438 1.00 13.14 H new ATOM 0 HG CYS A 794 24.998 13.556 -20.690 1.00 1.55 H new ATOM 213 N ALA A 795 21.249 8.829 -20.050 1.00 65.12 N ATOM 214 CA ALA A 795 21.072 7.390 -19.953 1.00 61.03 C ATOM 215 C ALA A 795 22.045 6.695 -20.908 1.00 51.23 C ATOM 216 O ALA A 795 21.835 6.692 -22.120 1.00 41.43 O ATOM 217 CB ALA A 795 19.613 7.034 -20.247 1.00 2.44 C ATOM 0 H ALA A 795 20.514 9.316 -20.563 1.00 65.12 H new ATOM 0 HA ALA A 795 21.296 7.043 -18.944 1.00 61.03 H new ATOM 0 HB1 ALA A 795 19.480 5.955 -20.174 1.00 2.44 H new ATOM 0 HB2 ALA A 795 18.965 7.529 -19.524 1.00 2.44 H new ATOM 0 HB3 ALA A 795 19.353 7.365 -21.253 1.00 2.44 H new ATOM 223 N ARG A 796 23.088 6.123 -20.326 1.00 63.20 N ATOM 224 CA ARG A 796 24.094 5.426 -21.110 1.00 41.41 C ATOM 225 C ARG A 796 23.435 4.376 -22.007 1.00 11.52 C ATOM 226 O ARG A 796 24.002 3.978 -23.023 1.00 5.13 O ATOM 227 CB ARG A 796 25.121 4.742 -20.206 1.00 1.24 C ATOM 228 CG ARG A 796 24.444 3.744 -19.264 1.00 51.03 C ATOM 229 CD ARG A 796 25.217 3.619 -17.950 1.00 15.45 C ATOM 230 NE ARG A 796 24.891 4.758 -17.062 1.00 25.14 N ATOM 231 CZ ARG A 796 25.324 4.872 -15.788 1.00 45.21 C ATOM 232 NH1 ARG A 796 26.105 3.916 -15.241 1.00 43.15 N ATOM 233 NH2 ARG A 796 24.973 5.933 -15.085 1.00 72.32 N ATOM 0 H ARG A 796 23.259 6.128 -19.320 1.00 63.20 H new ATOM 0 HA ARG A 796 24.605 6.166 -21.726 1.00 41.41 H new ATOM 0 HB2 ARG A 796 25.862 4.226 -20.817 1.00 1.24 H new ATOM 0 HB3 ARG A 796 25.655 5.493 -19.623 1.00 1.24 H new ATOM 0 HG2 ARG A 796 23.423 4.066 -19.060 1.00 51.03 H new ATOM 0 HG3 ARG A 796 24.380 2.769 -19.747 1.00 51.03 H new ATOM 0 HD2 ARG A 796 24.965 2.680 -17.458 1.00 15.45 H new ATOM 0 HD3 ARG A 796 26.288 3.597 -18.149 1.00 15.45 H new ATOM 0 HE ARG A 796 24.303 5.503 -17.436 1.00 25.14 H new ATOM 0 HH11 ARG A 796 26.372 3.100 -15.791 1.00 43.15 H new ATOM 0 HH12 ARG A 796 26.428 4.010 -14.278 1.00 43.15 H new ATOM 0 HH21 ARG A 796 24.383 6.651 -15.506 1.00 72.32 H new ATOM 0 HH22 ARG A 796 25.291 6.034 -14.121 1.00 72.32 H new ATOM 246 N ASP A 797 22.246 3.958 -21.599 1.00 12.35 N ATOM 247 CA ASP A 797 21.503 2.962 -22.352 1.00 43.43 C ATOM 248 C ASP A 797 20.030 3.015 -21.945 1.00 34.12 C ATOM 249 O ASP A 797 19.648 3.806 -21.084 1.00 32.24 O ATOM 250 CB ASP A 797 22.024 1.553 -22.064 1.00 74.21 C ATOM 251 CG ASP A 797 22.385 1.283 -20.602 1.00 42.41 C ATOM 252 OD1 ASP A 797 22.253 2.164 -19.739 1.00 33.52 O ATOM 253 OD2 ASP A 797 22.826 0.095 -20.360 1.00 12.45 O ATOM 0 H ASP A 797 21.778 4.291 -20.756 1.00 12.35 H new ATOM 0 HA ASP A 797 21.624 3.181 -23.413 1.00 43.43 H new ATOM 0 HB2 ASP A 797 21.268 0.832 -22.375 1.00 74.21 H new ATOM 0 HB3 ASP A 797 22.906 1.375 -22.679 1.00 74.21 H new ATOM 259 N ARG A 798 19.241 2.162 -22.583 1.00 44.41 N ATOM 260 CA ARG A 798 17.818 2.102 -22.298 1.00 30.42 C ATOM 261 C ARG A 798 17.582 1.570 -20.882 1.00 44.35 C ATOM 262 O ARG A 798 16.462 1.615 -20.377 1.00 51.32 O ATOM 263 CB ARG A 798 17.093 1.201 -23.300 1.00 42.43 C ATOM 264 CG ARG A 798 16.981 1.881 -24.666 1.00 51.34 C ATOM 265 CD ARG A 798 16.597 0.873 -25.751 1.00 31.41 C ATOM 266 NE ARG A 798 15.135 0.640 -25.731 1.00 45.34 N ATOM 267 CZ ARG A 798 14.237 1.420 -26.369 1.00 15.35 C ATOM 268 NH1 ARG A 798 14.643 2.492 -27.082 1.00 60.10 N ATOM 269 NH2 ARG A 798 12.954 1.120 -26.283 1.00 60.32 N ATOM 0 H ARG A 798 19.561 1.507 -23.296 1.00 44.41 H new ATOM 0 HA ARG A 798 17.420 3.113 -22.381 1.00 30.42 H new ATOM 0 HB2 ARG A 798 17.630 0.258 -23.402 1.00 42.43 H new ATOM 0 HB3 ARG A 798 16.098 0.962 -22.926 1.00 42.43 H new ATOM 0 HG2 ARG A 798 16.235 2.674 -24.621 1.00 51.34 H new ATOM 0 HG3 ARG A 798 17.931 2.351 -24.921 1.00 51.34 H new ATOM 0 HD2 ARG A 798 16.901 1.246 -26.729 1.00 31.41 H new ATOM 0 HD3 ARG A 798 17.126 -0.067 -25.590 1.00 31.41 H new ATOM 0 HE ARG A 798 14.785 -0.159 -25.203 1.00 45.34 H new ATOM 0 HH11 ARG A 798 15.636 2.718 -27.142 1.00 60.10 H new ATOM 0 HH12 ARG A 798 13.957 3.076 -27.561 1.00 60.10 H new ATOM 0 HH21 ARG A 798 12.655 0.310 -25.741 1.00 60.32 H new ATOM 0 HH22 ARG A 798 12.262 1.699 -26.759 1.00 60.32 H new ATOM 282 N SER A 799 18.657 1.079 -20.283 1.00 11.13 N ATOM 283 CA SER A 799 18.581 0.540 -18.936 1.00 22.34 C ATOM 284 C SER A 799 18.453 1.679 -17.922 1.00 70.22 C ATOM 285 O SER A 799 18.188 1.440 -16.745 1.00 52.40 O ATOM 286 CB SER A 799 19.807 -0.319 -18.617 1.00 34.04 C ATOM 287 OG SER A 799 20.975 0.472 -18.415 1.00 32.20 O ATOM 0 H SER A 799 19.585 1.043 -20.705 1.00 11.13 H new ATOM 0 HA SER A 799 17.698 -0.096 -18.872 1.00 22.34 H new ATOM 0 HB2 SER A 799 19.612 -0.912 -17.723 1.00 34.04 H new ATOM 0 HB3 SER A 799 19.981 -1.020 -19.433 1.00 34.04 H new ATOM 0 HG SER A 799 20.887 1.317 -18.904 1.00 32.20 H new ATOM 293 N GLU A 800 18.647 2.893 -18.417 1.00 21.43 N ATOM 294 CA GLU A 800 18.557 4.069 -17.569 1.00 55.32 C ATOM 295 C GLU A 800 17.476 5.018 -18.092 1.00 42.21 C ATOM 296 O GLU A 800 17.090 4.943 -19.258 1.00 20.25 O ATOM 297 CB GLU A 800 19.908 4.779 -17.470 1.00 23.00 C ATOM 298 CG GLU A 800 20.011 5.584 -16.173 1.00 52.52 C ATOM 299 CD GLU A 800 19.855 4.678 -14.951 1.00 33.33 C ATOM 300 OE1 GLU A 800 19.868 3.445 -15.087 1.00 42.32 O ATOM 301 OE2 GLU A 800 19.717 5.296 -13.827 1.00 53.21 O ATOM 0 H GLU A 800 18.866 3.087 -19.394 1.00 21.43 H new ATOM 0 HA GLU A 800 18.278 3.749 -16.565 1.00 55.32 H new ATOM 0 HB2 GLU A 800 20.713 4.045 -17.511 1.00 23.00 H new ATOM 0 HB3 GLU A 800 20.038 5.442 -18.325 1.00 23.00 H new ATOM 0 HG2 GLU A 800 20.974 6.093 -16.132 1.00 52.52 H new ATOM 0 HG3 GLU A 800 19.242 6.356 -16.158 1.00 52.52 H new ATOM 309 N LEU A 801 17.019 5.890 -17.205 1.00 30.51 N ATOM 310 CA LEU A 801 15.991 6.852 -17.562 1.00 52.04 C ATOM 311 C LEU A 801 16.652 8.170 -17.971 1.00 70.25 C ATOM 312 O LEU A 801 17.601 8.618 -17.330 1.00 31.33 O ATOM 313 CB LEU A 801 14.977 6.999 -16.426 1.00 54.54 C ATOM 314 CG LEU A 801 13.536 7.295 -16.848 1.00 34.42 C ATOM 315 CD1 LEU A 801 12.643 7.523 -15.626 1.00 42.24 C ATOM 316 CD2 LEU A 801 13.480 8.469 -17.826 1.00 42.52 C ATOM 0 H LEU A 801 17.342 5.950 -16.239 1.00 30.51 H new ATOM 0 HA LEU A 801 15.422 6.500 -18.422 1.00 52.04 H new ATOM 0 HB2 LEU A 801 14.982 6.080 -15.840 1.00 54.54 H new ATOM 0 HB3 LEU A 801 15.313 7.799 -15.767 1.00 54.54 H new ATOM 0 HG LEU A 801 13.148 6.422 -17.372 1.00 34.42 H new ATOM 0 HD11 LEU A 801 11.624 7.731 -15.953 1.00 42.24 H new ATOM 0 HD12 LEU A 801 12.648 6.630 -15.000 1.00 42.24 H new ATOM 0 HD13 LEU A 801 13.020 8.370 -15.053 1.00 42.24 H new ATOM 0 HD21 LEU A 801 12.444 8.658 -18.109 1.00 42.52 H new ATOM 0 HD22 LEU A 801 13.894 9.358 -17.351 1.00 42.52 H new ATOM 0 HD23 LEU A 801 14.062 8.229 -18.716 1.00 42.52 H new ATOM 328 N SER A 802 16.124 8.754 -19.037 1.00 65.34 N ATOM 329 CA SER A 802 16.652 10.011 -19.540 1.00 14.24 C ATOM 330 C SER A 802 16.048 11.181 -18.759 1.00 60.42 C ATOM 331 O SER A 802 14.883 11.525 -18.952 1.00 42.24 O ATOM 332 CB SER A 802 16.369 10.169 -21.035 1.00 31.21 C ATOM 333 OG SER A 802 17.379 10.930 -21.692 1.00 32.02 O ATOM 0 H SER A 802 15.336 8.380 -19.566 1.00 65.34 H new ATOM 0 HA SER A 802 17.733 10.008 -19.401 1.00 14.24 H new ATOM 0 HB2 SER A 802 16.299 9.184 -21.497 1.00 31.21 H new ATOM 0 HB3 SER A 802 15.403 10.654 -21.172 1.00 31.21 H new ATOM 0 HG SER A 802 17.163 11.007 -22.645 1.00 32.02 H new ATOM 339 N LEU A 803 16.868 11.759 -17.894 1.00 31.33 N ATOM 340 CA LEU A 803 16.430 12.882 -17.083 1.00 54.22 C ATOM 341 C LEU A 803 16.902 14.186 -17.729 1.00 4.34 C ATOM 342 O LEU A 803 17.876 14.194 -18.481 1.00 33.43 O ATOM 343 CB LEU A 803 16.891 12.710 -15.635 1.00 2.23 C ATOM 344 CG LEU A 803 15.995 11.848 -14.743 1.00 65.42 C ATOM 345 CD1 LEU A 803 15.324 10.736 -15.552 1.00 42.12 C ATOM 346 CD2 LEU A 803 16.778 11.296 -13.550 1.00 61.50 C ATOM 0 H LEU A 803 17.834 11.471 -17.737 1.00 31.33 H new ATOM 0 HA LEU A 803 15.341 12.922 -17.043 1.00 54.22 H new ATOM 0 HB2 LEU A 803 17.890 12.274 -15.642 1.00 2.23 H new ATOM 0 HB3 LEU A 803 16.978 13.698 -15.183 1.00 2.23 H new ATOM 0 HG LEU A 803 15.202 12.479 -14.343 1.00 65.42 H new ATOM 0 HD11 LEU A 803 14.693 10.138 -14.895 1.00 42.12 H new ATOM 0 HD12 LEU A 803 14.713 11.177 -16.339 1.00 42.12 H new ATOM 0 HD13 LEU A 803 16.088 10.100 -15.999 1.00 42.12 H new ATOM 0 HD21 LEU A 803 16.118 10.687 -12.932 1.00 61.50 H new ATOM 0 HD22 LEU A 803 17.605 10.684 -13.909 1.00 61.50 H new ATOM 0 HD23 LEU A 803 17.169 12.123 -12.957 1.00 61.50 H new ATOM 358 N LYS A 804 16.191 15.258 -17.411 1.00 43.12 N ATOM 359 CA LYS A 804 16.526 16.565 -17.951 1.00 10.13 C ATOM 360 C LYS A 804 15.989 17.651 -17.016 1.00 31.31 C ATOM 361 O LYS A 804 14.777 17.811 -16.877 1.00 4.33 O ATOM 362 CB LYS A 804 16.028 16.693 -19.392 1.00 5.21 C ATOM 363 CG LYS A 804 16.946 17.604 -20.210 1.00 2.22 C ATOM 364 CD LYS A 804 16.468 19.057 -20.154 1.00 61.54 C ATOM 365 CE LYS A 804 17.143 19.898 -21.239 1.00 63.34 C ATOM 366 NZ LYS A 804 16.720 19.446 -22.584 1.00 22.12 N ATOM 0 H LYS A 804 15.385 15.248 -16.786 1.00 43.12 H new ATOM 0 HA LYS A 804 17.608 16.691 -18.000 1.00 10.13 H new ATOM 0 HB2 LYS A 804 15.983 15.707 -19.854 1.00 5.21 H new ATOM 0 HB3 LYS A 804 15.014 17.094 -19.396 1.00 5.21 H new ATOM 0 HG2 LYS A 804 17.965 17.538 -19.828 1.00 2.22 H new ATOM 0 HG3 LYS A 804 16.971 17.265 -21.246 1.00 2.22 H new ATOM 0 HD2 LYS A 804 15.386 19.093 -20.281 1.00 61.54 H new ATOM 0 HD3 LYS A 804 16.688 19.478 -19.173 1.00 61.54 H new ATOM 0 HE2 LYS A 804 16.887 20.949 -21.105 1.00 63.34 H new ATOM 0 HE3 LYS A 804 18.226 19.820 -21.147 1.00 63.34 H new ATOM 0 HZ1 LYS A 804 16.834 20.225 -23.264 1.00 22.12 H new ATOM 0 HZ2 LYS A 804 17.307 18.640 -22.880 1.00 22.12 H new ATOM 0 HZ3 LYS A 804 15.722 19.155 -22.555 1.00 22.12 H new ATOM 379 N GLU A 805 16.917 18.368 -16.399 1.00 72.04 N ATOM 380 CA GLU A 805 16.552 19.434 -15.482 1.00 32.22 C ATOM 381 C GLU A 805 15.336 20.197 -16.012 1.00 4.45 C ATOM 382 O GLU A 805 15.287 20.553 -17.188 1.00 12.10 O ATOM 383 CB GLU A 805 17.731 20.379 -15.242 1.00 70.30 C ATOM 384 CG GLU A 805 18.671 19.821 -14.172 1.00 4.35 C ATOM 385 CD GLU A 805 20.109 20.288 -14.408 1.00 63.43 C ATOM 386 OE1 GLU A 805 20.498 21.365 -13.933 1.00 53.12 O ATOM 387 OE2 GLU A 805 20.833 19.486 -15.113 1.00 64.13 O ATOM 0 H GLU A 805 17.921 18.231 -16.516 1.00 72.04 H new ATOM 0 HA GLU A 805 16.287 18.987 -14.524 1.00 32.22 H new ATOM 0 HB2 GLU A 805 18.279 20.526 -16.172 1.00 70.30 H new ATOM 0 HB3 GLU A 805 17.361 21.357 -14.932 1.00 70.30 H new ATOM 0 HG2 GLU A 805 18.337 20.144 -13.186 1.00 4.35 H new ATOM 0 HG3 GLU A 805 18.632 18.732 -14.181 1.00 4.35 H new ATOM 395 N GLY A 806 14.386 20.427 -15.118 1.00 32.25 N ATOM 396 CA GLY A 806 13.174 21.142 -15.480 1.00 71.43 C ATOM 397 C GLY A 806 12.092 20.175 -15.967 1.00 1.21 C ATOM 398 O GLY A 806 10.980 20.593 -16.287 1.00 62.40 O ATOM 0 H GLY A 806 14.431 20.131 -14.143 1.00 32.25 H new ATOM 0 HA2 GLY A 806 12.807 21.701 -14.620 1.00 71.43 H new ATOM 0 HA3 GLY A 806 13.396 21.869 -16.261 1.00 71.43 H new ATOM 402 N ASP A 807 12.456 18.902 -16.007 1.00 71.22 N ATOM 403 CA ASP A 807 11.530 17.873 -16.449 1.00 62.34 C ATOM 404 C ASP A 807 10.974 17.135 -15.230 1.00 22.22 C ATOM 405 O ASP A 807 11.520 17.242 -14.133 1.00 24.21 O ATOM 406 CB ASP A 807 12.232 16.848 -17.343 1.00 32.23 C ATOM 407 CG ASP A 807 12.746 17.396 -18.676 1.00 34.05 C ATOM 408 OD1 ASP A 807 12.984 18.604 -18.820 1.00 12.31 O ATOM 409 OD2 ASP A 807 12.902 16.514 -19.604 1.00 25.24 O ATOM 0 H ASP A 807 13.379 18.560 -15.741 1.00 71.22 H new ATOM 0 HA ASP A 807 10.732 18.357 -17.012 1.00 62.34 H new ATOM 0 HB2 ASP A 807 13.073 16.424 -16.793 1.00 32.23 H new ATOM 0 HB3 ASP A 807 11.540 16.031 -17.546 1.00 32.23 H new ATOM 415 N ILE A 808 9.895 16.403 -15.463 1.00 31.55 N ATOM 416 CA ILE A 808 9.259 15.647 -14.397 1.00 10.15 C ATOM 417 C ILE A 808 9.408 14.151 -14.679 1.00 34.20 C ATOM 418 O ILE A 808 9.386 13.728 -15.834 1.00 1.30 O ATOM 419 CB ILE A 808 7.808 16.097 -14.213 1.00 3.12 C ATOM 420 CG1 ILE A 808 7.213 16.582 -15.536 1.00 52.02 C ATOM 421 CG2 ILE A 808 7.697 17.155 -13.113 1.00 25.23 C ATOM 422 CD1 ILE A 808 7.672 18.006 -15.855 1.00 2.20 C ATOM 0 H ILE A 808 9.445 16.317 -16.374 1.00 31.55 H new ATOM 0 HA ILE A 808 9.752 15.843 -13.445 1.00 10.15 H new ATOM 0 HB ILE A 808 7.222 15.236 -13.892 1.00 3.12 H new ATOM 0 HG12 ILE A 808 7.512 15.911 -16.341 1.00 52.02 H new ATOM 0 HG13 ILE A 808 6.125 16.550 -15.483 1.00 52.02 H new ATOM 0 HG21 ILE A 808 6.656 17.457 -13.003 1.00 25.23 H new ATOM 0 HG22 ILE A 808 8.056 16.740 -12.171 1.00 25.23 H new ATOM 0 HG23 ILE A 808 8.300 18.023 -13.380 1.00 25.23 H new ATOM 0 HD11 ILE A 808 7.234 18.326 -16.801 1.00 2.20 H new ATOM 0 HD12 ILE A 808 7.350 18.679 -15.060 1.00 2.20 H new ATOM 0 HD13 ILE A 808 8.759 18.029 -15.932 1.00 2.20 H new ATOM 434 N ILE A 809 9.555 13.390 -13.604 1.00 41.13 N ATOM 435 CA ILE A 809 9.707 11.950 -13.722 1.00 23.20 C ATOM 436 C ILE A 809 8.513 11.259 -13.061 1.00 12.44 C ATOM 437 O ILE A 809 8.320 11.369 -11.851 1.00 15.32 O ATOM 438 CB ILE A 809 11.061 11.507 -13.163 1.00 32.40 C ATOM 439 CG1 ILE A 809 12.170 11.694 -14.200 1.00 3.43 C ATOM 440 CG2 ILE A 809 10.996 10.068 -12.647 1.00 21.32 C ATOM 441 CD1 ILE A 809 12.729 13.118 -14.153 1.00 54.14 C ATOM 0 H ILE A 809 9.572 13.744 -12.647 1.00 41.13 H new ATOM 0 HA ILE A 809 9.707 11.652 -14.770 1.00 23.20 H new ATOM 0 HB ILE A 809 11.305 12.144 -12.313 1.00 32.40 H new ATOM 0 HG12 ILE A 809 12.971 10.979 -14.014 1.00 3.43 H new ATOM 0 HG13 ILE A 809 11.780 11.485 -15.196 1.00 3.43 H new ATOM 0 HG21 ILE A 809 11.971 9.778 -12.255 1.00 21.32 H new ATOM 0 HG22 ILE A 809 10.251 9.999 -11.854 1.00 21.32 H new ATOM 0 HG23 ILE A 809 10.720 9.401 -13.463 1.00 21.32 H new ATOM 0 HD11 ILE A 809 13.516 13.225 -14.900 1.00 54.14 H new ATOM 0 HD12 ILE A 809 11.930 13.829 -14.363 1.00 54.14 H new ATOM 0 HD13 ILE A 809 13.140 13.315 -13.163 1.00 54.14 H new ATOM 453 N LYS A 810 7.742 10.563 -13.883 1.00 45.14 N ATOM 454 CA LYS A 810 6.572 9.855 -13.393 1.00 61.25 C ATOM 455 C LYS A 810 7.021 8.664 -12.544 1.00 14.12 C ATOM 456 O LYS A 810 7.627 7.725 -13.056 1.00 63.23 O ATOM 457 CB LYS A 810 5.653 9.470 -14.555 1.00 4.31 C ATOM 458 CG LYS A 810 4.621 8.430 -14.116 1.00 62.41 C ATOM 459 CD LYS A 810 3.972 8.827 -12.789 1.00 24.34 C ATOM 460 CE LYS A 810 2.522 8.343 -12.721 1.00 25.03 C ATOM 461 NZ LYS A 810 1.616 9.335 -13.341 1.00 33.22 N ATOM 0 H LYS A 810 7.905 10.474 -14.886 1.00 45.14 H new ATOM 0 HA LYS A 810 5.978 10.502 -12.747 1.00 61.25 H new ATOM 0 HB2 LYS A 810 5.143 10.358 -14.930 1.00 4.31 H new ATOM 0 HB3 LYS A 810 6.248 9.073 -15.378 1.00 4.31 H new ATOM 0 HG2 LYS A 810 3.854 8.327 -14.884 1.00 62.41 H new ATOM 0 HG3 LYS A 810 5.101 7.457 -14.013 1.00 62.41 H new ATOM 0 HD2 LYS A 810 4.540 8.403 -11.961 1.00 24.34 H new ATOM 0 HD3 LYS A 810 4.003 9.911 -12.675 1.00 24.34 H new ATOM 0 HE2 LYS A 810 2.428 7.385 -13.233 1.00 25.03 H new ATOM 0 HE3 LYS A 810 2.235 8.179 -11.682 1.00 25.03 H new ATOM 0 HZ1 LYS A 810 0.636 8.992 -13.287 1.00 33.22 H new ATOM 0 HZ2 LYS A 810 1.694 10.240 -12.835 1.00 33.22 H new ATOM 0 HZ3 LYS A 810 1.880 9.471 -14.338 1.00 33.22 H new ATOM 474 N ILE A 811 6.705 8.742 -11.260 1.00 14.05 N ATOM 475 CA ILE A 811 7.067 7.682 -10.334 1.00 4.31 C ATOM 476 C ILE A 811 6.159 6.474 -10.568 1.00 30.33 C ATOM 477 O ILE A 811 4.946 6.560 -10.386 1.00 55.30 O ATOM 478 CB ILE A 811 7.046 8.198 -8.894 1.00 10.43 C ATOM 479 CG1 ILE A 811 7.813 9.517 -8.772 1.00 73.22 C ATOM 480 CG2 ILE A 811 7.571 7.138 -7.924 1.00 3.24 C ATOM 481 CD1 ILE A 811 9.320 9.288 -8.897 1.00 24.24 C ATOM 0 H ILE A 811 6.202 9.523 -10.839 1.00 14.05 H new ATOM 0 HA ILE A 811 8.090 7.352 -10.514 1.00 4.31 H new ATOM 0 HB ILE A 811 6.011 8.401 -8.620 1.00 10.43 H new ATOM 0 HG12 ILE A 811 7.481 10.208 -9.547 1.00 73.22 H new ATOM 0 HG13 ILE A 811 7.591 9.984 -7.812 1.00 73.22 H new ATOM 0 HG21 ILE A 811 7.545 7.530 -6.907 1.00 3.24 H new ATOM 0 HG22 ILE A 811 6.946 6.247 -7.985 1.00 3.24 H new ATOM 0 HG23 ILE A 811 8.597 6.880 -8.187 1.00 3.24 H new ATOM 0 HD11 ILE A 811 9.842 10.241 -8.807 1.00 24.24 H new ATOM 0 HD12 ILE A 811 9.653 8.616 -8.106 1.00 24.24 H new ATOM 0 HD13 ILE A 811 9.541 8.844 -9.867 1.00 24.24 H new ATOM 493 N LEU A 812 6.781 5.374 -10.967 1.00 44.42 N ATOM 494 CA LEU A 812 6.044 4.150 -11.228 1.00 21.33 C ATOM 495 C LEU A 812 6.315 3.147 -10.104 1.00 44.41 C ATOM 496 O LEU A 812 5.383 2.626 -9.494 1.00 2.21 O ATOM 497 CB LEU A 812 6.372 3.613 -12.623 1.00 1.44 C ATOM 498 CG LEU A 812 6.464 4.657 -13.738 1.00 75.20 C ATOM 499 CD1 LEU A 812 7.506 4.253 -14.783 1.00 35.43 C ATOM 500 CD2 LEU A 812 5.091 4.910 -14.365 1.00 43.44 C ATOM 0 H LEU A 812 7.788 5.305 -11.116 1.00 44.42 H new ATOM 0 HA LEU A 812 4.972 4.345 -11.231 1.00 21.33 H new ATOM 0 HB2 LEU A 812 7.322 3.080 -12.572 1.00 1.44 H new ATOM 0 HB3 LEU A 812 5.611 2.883 -12.898 1.00 1.44 H new ATOM 0 HG LEU A 812 6.797 5.598 -13.299 1.00 75.20 H new ATOM 0 HD11 LEU A 812 7.551 5.012 -15.564 1.00 35.43 H new ATOM 0 HD12 LEU A 812 8.483 4.163 -14.307 1.00 35.43 H new ATOM 0 HD13 LEU A 812 7.228 3.296 -15.223 1.00 35.43 H new ATOM 0 HD21 LEU A 812 5.183 5.656 -15.155 1.00 43.44 H new ATOM 0 HD22 LEU A 812 4.707 3.981 -14.786 1.00 43.44 H new ATOM 0 HD23 LEU A 812 4.404 5.274 -13.601 1.00 43.44 H new ATOM 512 N ASN A 813 7.596 2.908 -9.865 1.00 23.33 N ATOM 513 CA ASN A 813 8.002 1.977 -8.825 1.00 40.11 C ATOM 514 C ASN A 813 8.951 2.684 -7.856 1.00 2.33 C ATOM 515 O ASN A 813 9.478 3.752 -8.165 1.00 64.32 O ATOM 516 CB ASN A 813 8.741 0.776 -9.419 1.00 1.23 C ATOM 517 CG ASN A 813 8.501 -0.483 -8.583 1.00 40.04 C ATOM 518 OD1 ASN A 813 7.616 -1.279 -8.853 1.00 45.21 O ATOM 519 ND2 ASN A 813 9.336 -0.618 -7.557 1.00 33.41 N ATOM 0 H ASN A 813 8.366 3.343 -10.373 1.00 23.33 H new ATOM 0 HA ASN A 813 7.104 1.631 -8.313 1.00 40.11 H new ATOM 0 HB2 ASN A 813 8.405 0.607 -10.442 1.00 1.23 H new ATOM 0 HB3 ASN A 813 9.809 0.988 -9.465 1.00 1.23 H new ATOM 0 HD21 ASN A 813 9.258 -1.426 -6.939 1.00 33.41 H new ATOM 0 HD22 ASN A 813 10.054 0.086 -7.388 1.00 33.41 H new ATOM 526 N LYS A 814 9.140 2.061 -6.702 1.00 30.20 N ATOM 527 CA LYS A 814 10.016 2.617 -5.685 1.00 44.22 C ATOM 528 C LYS A 814 10.937 1.517 -5.154 1.00 32.43 C ATOM 529 O LYS A 814 10.658 0.917 -4.117 1.00 22.52 O ATOM 530 CB LYS A 814 9.199 3.314 -4.596 1.00 54.31 C ATOM 531 CG LYS A 814 8.995 4.794 -4.926 1.00 54.33 C ATOM 532 CD LYS A 814 8.974 5.642 -3.653 1.00 11.30 C ATOM 533 CE LYS A 814 7.550 5.783 -3.111 1.00 21.32 C ATOM 534 NZ LYS A 814 7.215 4.639 -2.233 1.00 12.32 N ATOM 0 H LYS A 814 8.701 1.176 -6.449 1.00 30.20 H new ATOM 0 HA LYS A 814 10.655 3.389 -6.114 1.00 44.22 H new ATOM 0 HB2 LYS A 814 8.231 2.824 -4.493 1.00 54.31 H new ATOM 0 HB3 LYS A 814 9.708 3.218 -3.637 1.00 54.31 H new ATOM 0 HG2 LYS A 814 9.794 5.137 -5.583 1.00 54.33 H new ATOM 0 HG3 LYS A 814 8.059 4.923 -5.469 1.00 54.33 H new ATOM 0 HD2 LYS A 814 9.611 5.184 -2.896 1.00 11.30 H new ATOM 0 HD3 LYS A 814 9.387 6.629 -3.862 1.00 11.30 H new ATOM 0 HE2 LYS A 814 7.457 6.716 -2.555 1.00 21.32 H new ATOM 0 HE3 LYS A 814 6.843 5.833 -3.939 1.00 21.32 H new ATOM 0 HZ1 LYS A 814 6.335 4.194 -2.563 1.00 12.32 H new ATOM 0 HZ2 LYS A 814 7.987 3.942 -2.261 1.00 12.32 H new ATOM 0 HZ3 LYS A 814 7.088 4.976 -1.257 1.00 12.32 H new ATOM 609 N GLY A 819 18.081 3.885 -3.196 1.00 61.53 N ATOM 610 CA GLY A 819 18.506 3.277 -4.446 1.00 23.53 C ATOM 611 C GLY A 819 18.101 4.140 -5.642 1.00 15.12 C ATOM 612 O GLY A 819 18.661 5.214 -5.855 1.00 62.13 O ATOM 0 HA2 GLY A 819 19.588 3.143 -4.440 1.00 23.53 H new ATOM 0 HA3 GLY A 819 18.062 2.286 -4.542 1.00 23.53 H new ATOM 616 N TRP A 820 17.129 3.639 -6.390 1.00 62.24 N ATOM 617 CA TRP A 820 16.642 4.351 -7.559 1.00 72.05 C ATOM 618 C TRP A 820 15.127 4.151 -7.638 1.00 30.53 C ATOM 619 O TRP A 820 14.560 3.373 -6.872 1.00 72.42 O ATOM 620 CB TRP A 820 17.371 3.893 -8.824 1.00 5.31 C ATOM 621 CG TRP A 820 17.206 2.404 -9.134 1.00 12.25 C ATOM 622 CD1 TRP A 820 16.445 1.507 -8.491 1.00 4.44 C ATOM 623 CD2 TRP A 820 17.849 1.670 -10.197 1.00 2.23 C ATOM 624 NE1 TRP A 820 16.551 0.254 -9.059 1.00 42.30 N ATOM 625 CE2 TRP A 820 17.432 0.357 -10.130 1.00 31.44 C ATOM 626 CE3 TRP A 820 18.754 2.102 -11.183 1.00 13.24 C ATOM 627 CZ2 TRP A 820 17.867 -0.632 -11.020 1.00 21.42 C ATOM 628 CZ3 TRP A 820 19.179 1.102 -12.065 1.00 22.34 C ATOM 629 CH2 TRP A 820 18.769 -0.225 -12.010 1.00 73.24 C ATOM 0 H TRP A 820 16.666 2.749 -6.209 1.00 62.24 H new ATOM 0 HA TRP A 820 16.849 5.418 -7.474 1.00 72.05 H new ATOM 0 HB2 TRP A 820 17.005 4.473 -9.672 1.00 5.31 H new ATOM 0 HB3 TRP A 820 18.433 4.116 -8.720 1.00 5.31 H new ATOM 0 HD1 TRP A 820 15.827 1.736 -7.636 1.00 4.44 H new ATOM 0 HE1 TRP A 820 16.072 -0.592 -8.750 1.00 42.30 H new ATOM 0 HE3 TRP A 820 19.094 3.125 -11.254 1.00 13.24 H new ATOM 0 HZ2 TRP A 820 17.525 -1.654 -10.947 1.00 21.42 H new ATOM 0 HZ3 TRP A 820 19.874 1.381 -12.843 1.00 22.34 H new ATOM 0 HH2 TRP A 820 19.145 -0.939 -12.728 1.00 73.24 H new ATOM 640 N TRP A 821 14.515 4.866 -8.570 1.00 30.02 N ATOM 641 CA TRP A 821 13.077 4.777 -8.758 1.00 71.51 C ATOM 642 C TRP A 821 12.810 4.495 -10.238 1.00 44.02 C ATOM 643 O TRP A 821 13.530 4.986 -11.106 1.00 64.45 O ATOM 644 CB TRP A 821 12.378 6.041 -8.255 1.00 4.31 C ATOM 645 CG TRP A 821 12.401 6.201 -6.733 1.00 43.45 C ATOM 646 CD1 TRP A 821 12.524 5.243 -5.805 1.00 2.22 C ATOM 647 CD2 TRP A 821 12.293 7.438 -5.997 1.00 51.03 C ATOM 648 NE1 TRP A 821 12.503 5.769 -4.529 1.00 50.51 N ATOM 649 CE2 TRP A 821 12.358 7.147 -4.650 1.00 71.41 C ATOM 650 CE3 TRP A 821 12.145 8.759 -6.455 1.00 11.21 C ATOM 651 CZ2 TRP A 821 12.283 8.123 -3.650 1.00 1.40 C ATOM 652 CZ3 TRP A 821 12.072 9.724 -5.443 1.00 34.22 C ATOM 653 CH2 TRP A 821 12.135 9.447 -4.082 1.00 64.22 C ATOM 0 H TRP A 821 14.989 5.510 -9.204 1.00 30.02 H new ATOM 0 HA TRP A 821 12.661 3.961 -8.167 1.00 71.51 H new ATOM 0 HB2 TRP A 821 12.852 6.911 -8.709 1.00 4.31 H new ATOM 0 HB3 TRP A 821 11.342 6.030 -8.593 1.00 4.31 H new ATOM 0 HD1 TRP A 821 12.627 4.191 -6.027 1.00 2.22 H new ATOM 0 HE1 TRP A 821 12.580 5.244 -3.658 1.00 50.51 H new ATOM 0 HE3 TRP A 821 12.092 9.010 -7.504 1.00 11.21 H new ATOM 0 HZ2 TRP A 821 12.336 7.869 -2.602 1.00 1.40 H new ATOM 0 HZ3 TRP A 821 11.959 10.756 -5.741 1.00 34.22 H new ATOM 0 HH2 TRP A 821 12.070 10.249 -3.361 1.00 64.22 H new ATOM 664 N ARG A 822 11.774 3.706 -10.480 1.00 50.13 N ATOM 665 CA ARG A 822 11.403 3.353 -11.840 1.00 44.43 C ATOM 666 C ARG A 822 10.323 4.304 -12.360 1.00 2.33 C ATOM 667 O ARG A 822 9.155 4.181 -11.994 1.00 41.35 O ATOM 668 CB ARG A 822 10.886 1.915 -11.915 1.00 1.51 C ATOM 669 CG ARG A 822 11.214 1.284 -13.270 1.00 1.44 C ATOM 670 CD ARG A 822 10.136 0.280 -13.682 1.00 23.43 C ATOM 671 NE ARG A 822 10.728 -0.777 -14.533 1.00 0.23 N ATOM 672 CZ ARG A 822 10.072 -1.890 -14.923 1.00 21.43 C ATOM 673 NH1 ARG A 822 8.795 -2.103 -14.540 1.00 51.44 N ATOM 674 NH2 ARG A 822 10.698 -2.769 -15.683 1.00 44.23 N ATOM 0 H ARG A 822 11.179 3.301 -9.757 1.00 50.13 H new ATOM 0 HA ARG A 822 12.296 3.438 -12.459 1.00 44.43 H new ATOM 0 HB2 ARG A 822 11.332 1.322 -11.116 1.00 1.51 H new ATOM 0 HB3 ARG A 822 9.808 1.904 -11.756 1.00 1.51 H new ATOM 0 HG2 ARG A 822 11.299 2.063 -14.027 1.00 1.44 H new ATOM 0 HG3 ARG A 822 12.181 0.784 -13.218 1.00 1.44 H new ATOM 0 HD2 ARG A 822 9.684 -0.166 -12.796 1.00 23.43 H new ATOM 0 HD3 ARG A 822 9.339 0.791 -14.223 1.00 23.43 H new ATOM 0 HE ARG A 822 11.692 -0.656 -14.844 1.00 0.23 H new ATOM 0 HH11 ARG A 822 8.318 -1.420 -13.951 1.00 51.44 H new ATOM 0 HH12 ARG A 822 8.307 -2.947 -14.839 1.00 51.44 H new ATOM 0 HH21 ARG A 822 11.663 -2.602 -15.967 1.00 44.23 H new ATOM 0 HH22 ARG A 822 10.216 -3.615 -15.986 1.00 44.23 H new ATOM 687 N GLY A 823 10.752 5.231 -13.204 1.00 11.23 N ATOM 688 CA GLY A 823 9.836 6.203 -13.777 1.00 72.40 C ATOM 689 C GLY A 823 9.995 6.276 -15.297 1.00 73.51 C ATOM 690 O GLY A 823 10.744 5.497 -15.884 1.00 43.15 O ATOM 0 H GLY A 823 11.722 5.330 -13.505 1.00 11.23 H new ATOM 0 HA2 GLY A 823 8.810 5.932 -13.528 1.00 72.40 H new ATOM 0 HA3 GLY A 823 10.022 7.184 -13.341 1.00 72.40 H new ATOM 694 N GLU A 824 9.277 7.218 -15.890 1.00 71.15 N ATOM 695 CA GLU A 824 9.329 7.403 -17.331 1.00 32.32 C ATOM 696 C GLU A 824 9.240 8.890 -17.679 1.00 23.13 C ATOM 697 O GLU A 824 8.935 9.715 -16.819 1.00 4.10 O ATOM 698 CB GLU A 824 8.220 6.610 -18.025 1.00 53.25 C ATOM 699 CG GLU A 824 6.921 7.417 -18.080 1.00 32.03 C ATOM 700 CD GLU A 824 5.702 6.503 -17.938 1.00 54.43 C ATOM 701 OE1 GLU A 824 4.861 6.724 -17.054 1.00 21.44 O ATOM 702 OE2 GLU A 824 5.644 5.536 -18.789 1.00 72.35 O ATOM 0 H GLU A 824 8.656 7.861 -15.399 1.00 71.15 H new ATOM 0 HA GLU A 824 10.284 7.022 -17.693 1.00 32.32 H new ATOM 0 HB2 GLU A 824 8.533 6.349 -19.036 1.00 53.25 H new ATOM 0 HB3 GLU A 824 8.049 5.675 -17.492 1.00 53.25 H new ATOM 0 HG2 GLU A 824 6.917 8.161 -17.284 1.00 32.03 H new ATOM 0 HG3 GLU A 824 6.865 7.960 -19.024 1.00 32.03 H new ATOM 710 N ILE A 825 9.512 9.187 -18.941 1.00 25.11 N ATOM 711 CA ILE A 825 9.467 10.560 -19.413 1.00 45.40 C ATOM 712 C ILE A 825 9.234 10.568 -20.925 1.00 71.11 C ATOM 713 O ILE A 825 9.998 9.967 -21.678 1.00 24.41 O ATOM 714 CB ILE A 825 10.725 11.317 -18.981 1.00 64.13 C ATOM 715 CG1 ILE A 825 10.606 11.797 -17.533 1.00 45.24 C ATOM 716 CG2 ILE A 825 11.031 12.467 -19.943 1.00 70.44 C ATOM 717 CD1 ILE A 825 11.596 12.928 -17.248 1.00 43.41 C ATOM 0 H ILE A 825 9.764 8.500 -19.651 1.00 25.11 H new ATOM 0 HA ILE A 825 8.631 11.091 -18.958 1.00 45.40 H new ATOM 0 HB ILE A 825 11.569 10.629 -19.024 1.00 64.13 H new ATOM 0 HG12 ILE A 825 9.590 12.142 -17.343 1.00 45.24 H new ATOM 0 HG13 ILE A 825 10.793 10.965 -16.854 1.00 45.24 H new ATOM 0 HG21 ILE A 825 11.930 12.988 -19.613 1.00 70.44 H new ATOM 0 HG22 ILE A 825 11.189 12.070 -20.946 1.00 70.44 H new ATOM 0 HG23 ILE A 825 10.192 13.163 -19.957 1.00 70.44 H new ATOM 0 HD11 ILE A 825 11.491 13.251 -16.212 1.00 43.41 H new ATOM 0 HD12 ILE A 825 12.613 12.573 -17.416 1.00 43.41 H new ATOM 0 HD13 ILE A 825 11.391 13.767 -17.912 1.00 43.41 H new ATOM 729 N TYR A 826 8.174 11.256 -21.324 1.00 61.54 N ATOM 730 CA TYR A 826 7.830 11.349 -22.733 1.00 42.31 C ATOM 731 C TYR A 826 7.591 9.962 -23.333 1.00 0.13 C ATOM 732 O TYR A 826 7.656 9.788 -24.549 1.00 33.14 O ATOM 733 CB TYR A 826 9.039 11.987 -23.421 1.00 12.54 C ATOM 734 CG TYR A 826 9.537 13.265 -22.743 1.00 4.23 C ATOM 735 CD1 TYR A 826 8.710 13.959 -21.883 1.00 74.35 C ATOM 736 CD2 TYR A 826 10.815 13.724 -22.991 1.00 2.45 C ATOM 737 CE1 TYR A 826 9.179 15.161 -21.245 1.00 51.34 C ATOM 738 CE2 TYR A 826 11.285 14.927 -22.352 1.00 75.15 C ATOM 739 CZ TYR A 826 10.443 15.586 -21.511 1.00 42.15 C ATOM 740 OH TYR A 826 10.886 16.722 -20.909 1.00 25.11 O ATOM 0 H TYR A 826 7.542 11.754 -20.697 1.00 61.54 H new ATOM 0 HA TYR A 826 6.917 11.930 -22.867 1.00 42.31 H new ATOM 0 HB2 TYR A 826 9.853 11.262 -23.449 1.00 12.54 H new ATOM 0 HB3 TYR A 826 8.778 12.214 -24.455 1.00 12.54 H new ATOM 0 HD1 TYR A 826 7.710 13.600 -21.689 1.00 74.35 H new ATOM 0 HD2 TYR A 826 11.463 13.182 -23.664 1.00 2.45 H new ATOM 0 HE1 TYR A 826 8.541 15.713 -20.570 1.00 51.34 H new ATOM 0 HE2 TYR A 826 12.283 15.297 -22.537 1.00 75.15 H new ATOM 0 HH TYR A 826 11.865 16.712 -20.871 1.00 25.11 H new ATOM 750 N GLY A 827 7.320 9.010 -22.452 1.00 13.54 N ATOM 751 CA GLY A 827 7.071 7.644 -22.879 1.00 14.13 C ATOM 752 C GLY A 827 8.356 6.815 -22.841 1.00 71.11 C ATOM 753 O GLY A 827 8.395 5.700 -23.359 1.00 32.21 O ATOM 0 H GLY A 827 7.267 9.158 -21.444 1.00 13.54 H new ATOM 0 HA2 GLY A 827 6.321 7.188 -22.233 1.00 14.13 H new ATOM 0 HA3 GLY A 827 6.664 7.644 -23.890 1.00 14.13 H new ATOM 757 N ARG A 828 9.376 7.391 -22.223 1.00 43.54 N ATOM 758 CA ARG A 828 10.660 6.720 -22.112 1.00 31.35 C ATOM 759 C ARG A 828 10.846 6.162 -20.699 1.00 75.51 C ATOM 760 O ARG A 828 10.952 6.920 -19.737 1.00 45.50 O ATOM 761 CB ARG A 828 11.811 7.675 -22.430 1.00 43.33 C ATOM 762 CG ARG A 828 11.756 8.133 -23.889 1.00 62.13 C ATOM 763 CD ARG A 828 13.160 8.408 -24.431 1.00 44.01 C ATOM 764 NE ARG A 828 13.702 7.190 -25.075 1.00 51.51 N ATOM 765 CZ ARG A 828 14.963 7.079 -25.543 1.00 41.14 C ATOM 766 NH1 ARG A 828 15.825 8.113 -25.443 1.00 41.31 N ATOM 767 NH2 ARG A 828 15.341 5.944 -26.101 1.00 71.10 N ATOM 0 H ARG A 828 9.340 8.315 -21.794 1.00 43.54 H new ATOM 0 HA ARG A 828 10.671 5.904 -22.834 1.00 31.35 H new ATOM 0 HB2 ARG A 828 11.762 8.542 -21.771 1.00 43.33 H new ATOM 0 HB3 ARG A 828 12.763 7.181 -22.236 1.00 43.33 H new ATOM 0 HG2 ARG A 828 11.271 7.368 -24.496 1.00 62.13 H new ATOM 0 HG3 ARG A 828 11.149 9.035 -23.968 1.00 62.13 H new ATOM 0 HD2 ARG A 828 13.127 9.226 -25.151 1.00 44.01 H new ATOM 0 HD3 ARG A 828 13.816 8.723 -23.620 1.00 44.01 H new ATOM 0 HE ARG A 828 13.084 6.384 -25.171 1.00 51.51 H new ATOM 0 HH11 ARG A 828 15.525 8.987 -25.011 1.00 41.31 H new ATOM 0 HH12 ARG A 828 16.776 8.020 -25.799 1.00 41.31 H new ATOM 0 HH21 ARG A 828 14.684 5.168 -26.173 1.00 71.10 H new ATOM 0 HH22 ARG A 828 16.290 5.844 -26.460 1.00 71.10 H new ATOM 780 N ILE A 829 10.878 4.839 -20.619 1.00 41.52 N ATOM 781 CA ILE A 829 11.049 4.171 -19.340 1.00 60.04 C ATOM 782 C ILE A 829 12.542 4.006 -19.051 1.00 44.25 C ATOM 783 O ILE A 829 13.360 4.011 -19.970 1.00 43.12 O ATOM 784 CB ILE A 829 10.269 2.855 -19.315 1.00 70.03 C ATOM 785 CG1 ILE A 829 8.776 3.098 -19.543 1.00 14.44 C ATOM 786 CG2 ILE A 829 10.534 2.085 -18.020 1.00 13.33 C ATOM 787 CD1 ILE A 829 8.058 3.378 -18.220 1.00 43.55 C ATOM 0 H ILE A 829 10.788 4.213 -21.419 1.00 41.52 H new ATOM 0 HA ILE A 829 10.633 4.777 -18.535 1.00 60.04 H new ATOM 0 HB ILE A 829 10.623 2.233 -20.137 1.00 70.03 H new ATOM 0 HG12 ILE A 829 8.640 3.941 -20.220 1.00 14.44 H new ATOM 0 HG13 ILE A 829 8.332 2.227 -20.025 1.00 14.44 H new ATOM 0 HG21 ILE A 829 9.968 1.154 -18.028 1.00 13.33 H new ATOM 0 HG22 ILE A 829 11.598 1.862 -17.941 1.00 13.33 H new ATOM 0 HG23 ILE A 829 10.226 2.690 -17.167 1.00 13.33 H new ATOM 0 HD11 ILE A 829 6.998 3.547 -18.410 1.00 43.55 H new ATOM 0 HD12 ILE A 829 8.175 2.523 -17.554 1.00 43.55 H new ATOM 0 HD13 ILE A 829 8.489 4.263 -17.753 1.00 43.55 H new ATOM 799 N GLY A 830 12.853 3.864 -17.771 1.00 53.33 N ATOM 800 CA GLY A 830 14.233 3.698 -17.350 1.00 4.42 C ATOM 801 C GLY A 830 14.353 3.765 -15.826 1.00 22.21 C ATOM 802 O GLY A 830 13.346 3.760 -15.120 1.00 22.13 O ATOM 0 H GLY A 830 12.172 3.861 -17.011 1.00 53.33 H new ATOM 0 HA2 GLY A 830 14.613 2.741 -17.707 1.00 4.42 H new ATOM 0 HA3 GLY A 830 14.851 4.474 -17.802 1.00 4.42 H new ATOM 806 N TRP A 831 15.593 3.825 -15.364 1.00 5.41 N ATOM 807 CA TRP A 831 15.858 3.893 -13.937 1.00 21.33 C ATOM 808 C TRP A 831 16.636 5.181 -13.660 1.00 64.34 C ATOM 809 O TRP A 831 17.429 5.622 -14.491 1.00 73.24 O ATOM 810 CB TRP A 831 16.588 2.638 -13.455 1.00 24.23 C ATOM 811 CG TRP A 831 15.774 1.350 -13.597 1.00 52.40 C ATOM 812 CD1 TRP A 831 15.632 0.580 -14.684 1.00 20.30 C ATOM 813 CD2 TRP A 831 14.990 0.711 -12.568 1.00 33.01 C ATOM 814 NE1 TRP A 831 14.817 -0.505 -14.432 1.00 22.20 N ATOM 815 CE2 TRP A 831 14.414 -0.423 -13.104 1.00 43.21 C ATOM 816 CE3 TRP A 831 14.774 1.078 -11.228 1.00 10.40 C ATOM 817 CZ2 TRP A 831 13.586 -1.282 -12.372 1.00 54.41 C ATOM 818 CZ3 TRP A 831 13.943 0.210 -10.510 1.00 23.22 C ATOM 819 CH2 TRP A 831 13.356 -0.935 -11.035 1.00 64.41 C ATOM 0 H TRP A 831 16.426 3.828 -15.953 1.00 5.41 H new ATOM 0 HA TRP A 831 14.926 3.922 -13.373 1.00 21.33 H new ATOM 0 HB2 TRP A 831 17.516 2.532 -14.016 1.00 24.23 H new ATOM 0 HB3 TRP A 831 16.862 2.769 -12.408 1.00 24.23 H new ATOM 0 HD1 TRP A 831 16.097 0.783 -15.638 1.00 20.30 H new ATOM 0 HE1 TRP A 831 14.558 -1.233 -15.098 1.00 22.20 H new ATOM 0 HE3 TRP A 831 15.215 1.960 -10.787 1.00 10.40 H new ATOM 0 HZ2 TRP A 831 13.148 -2.165 -12.814 1.00 54.41 H new ATOM 0 HZ3 TRP A 831 13.744 0.447 -9.475 1.00 23.22 H new ATOM 0 HH2 TRP A 831 12.725 -1.554 -10.415 1.00 64.41 H new ATOM 830 N PHE A 832 16.383 5.748 -12.490 1.00 25.51 N ATOM 831 CA PHE A 832 17.051 6.976 -12.094 1.00 14.14 C ATOM 832 C PHE A 832 17.132 7.089 -10.570 1.00 24.41 C ATOM 833 O PHE A 832 16.291 6.544 -9.857 1.00 72.45 O ATOM 834 CB PHE A 832 16.211 8.135 -12.634 1.00 42.34 C ATOM 835 CG PHE A 832 14.842 8.277 -11.966 1.00 71.44 C ATOM 836 CD1 PHE A 832 13.824 7.448 -12.321 1.00 34.11 C ATOM 837 CD2 PHE A 832 14.643 9.231 -11.018 1.00 42.11 C ATOM 838 CE1 PHE A 832 12.553 7.579 -11.701 1.00 12.01 C ATOM 839 CE2 PHE A 832 13.373 9.362 -10.398 1.00 55.22 C ATOM 840 CZ PHE A 832 12.354 8.533 -10.753 1.00 1.44 C ATOM 0 H PHE A 832 15.725 5.380 -11.803 1.00 25.51 H new ATOM 0 HA PHE A 832 18.067 6.991 -12.488 1.00 14.14 H new ATOM 0 HB2 PHE A 832 16.766 9.064 -12.503 1.00 42.34 H new ATOM 0 HB3 PHE A 832 16.068 7.998 -13.706 1.00 42.34 H new ATOM 0 HD1 PHE A 832 13.982 6.690 -13.074 1.00 34.11 H new ATOM 0 HD2 PHE A 832 15.452 9.889 -10.737 1.00 42.11 H new ATOM 0 HE1 PHE A 832 11.744 6.921 -11.983 1.00 12.01 H new ATOM 0 HE2 PHE A 832 13.215 10.120 -9.645 1.00 55.22 H new ATOM 0 HZ PHE A 832 11.387 8.633 -10.282 1.00 1.44 H new ATOM 850 N PRO A 833 18.181 7.818 -10.103 1.00 11.20 N ATOM 851 CA PRO A 833 18.384 8.009 -8.677 1.00 13.20 C ATOM 852 C PRO A 833 17.384 9.020 -8.111 1.00 72.14 C ATOM 853 O PRO A 833 16.972 9.947 -8.807 1.00 41.01 O ATOM 854 CB PRO A 833 19.828 8.463 -8.542 1.00 51.54 C ATOM 855 CG PRO A 833 20.240 8.956 -9.920 1.00 40.30 C ATOM 856 CD PRO A 833 19.197 8.478 -10.917 1.00 43.22 C ATOM 0 HA PRO A 833 18.211 7.099 -8.102 1.00 13.20 H new ATOM 0 HB2 PRO A 833 19.920 9.256 -7.800 1.00 51.54 H new ATOM 0 HB3 PRO A 833 20.466 7.643 -8.214 1.00 51.54 H new ATOM 0 HG2 PRO A 833 20.309 10.044 -9.931 1.00 40.30 H new ATOM 0 HG3 PRO A 833 21.225 8.572 -10.184 1.00 40.30 H new ATOM 0 HD2 PRO A 833 18.775 9.311 -11.478 1.00 43.22 H new ATOM 0 HD3 PRO A 833 19.630 7.791 -11.644 1.00 43.22 H new ATOM 864 N SER A 834 17.022 8.807 -6.855 1.00 22.42 N ATOM 865 CA SER A 834 16.079 9.687 -6.188 1.00 15.42 C ATOM 866 C SER A 834 16.822 10.861 -5.547 1.00 55.51 C ATOM 867 O SER A 834 16.215 11.689 -4.869 1.00 53.33 O ATOM 868 CB SER A 834 15.271 8.931 -5.132 1.00 33.43 C ATOM 869 OG SER A 834 14.656 9.813 -4.196 1.00 71.24 O ATOM 0 H SER A 834 17.365 8.037 -6.281 1.00 22.42 H new ATOM 0 HA SER A 834 15.382 10.069 -6.934 1.00 15.42 H new ATOM 0 HB2 SER A 834 14.504 8.332 -5.623 1.00 33.43 H new ATOM 0 HB3 SER A 834 15.925 8.239 -4.602 1.00 33.43 H new ATOM 0 HG SER A 834 13.698 9.881 -4.391 1.00 71.24 H new ATOM 875 N ASN A 835 18.125 10.896 -5.784 1.00 75.13 N ATOM 876 CA ASN A 835 18.957 11.955 -5.239 1.00 32.31 C ATOM 877 C ASN A 835 19.211 13.006 -6.321 1.00 4.00 C ATOM 878 O ASN A 835 19.738 14.080 -6.036 1.00 50.40 O ATOM 879 CB ASN A 835 20.311 11.410 -4.781 1.00 42.11 C ATOM 880 CG ASN A 835 20.134 10.187 -3.879 1.00 71.35 C ATOM 881 OD1 ASN A 835 19.897 9.079 -4.332 1.00 63.21 O ATOM 882 ND2 ASN A 835 20.261 10.448 -2.582 1.00 10.33 N ATOM 0 H ASN A 835 18.625 10.208 -6.346 1.00 75.13 H new ATOM 0 HA ASN A 835 18.436 12.389 -4.386 1.00 32.31 H new ATOM 0 HB2 ASN A 835 20.911 11.141 -5.650 1.00 42.11 H new ATOM 0 HB3 ASN A 835 20.857 12.186 -4.244 1.00 42.11 H new ATOM 0 HD21 ASN A 835 20.160 9.698 -1.898 1.00 10.33 H new ATOM 0 HD22 ASN A 835 20.460 11.399 -2.270 1.00 10.33 H new ATOM 889 N TYR A 836 18.825 12.659 -7.540 1.00 45.41 N ATOM 890 CA TYR A 836 19.005 13.560 -8.666 1.00 63.23 C ATOM 891 C TYR A 836 17.667 14.151 -9.115 1.00 2.13 C ATOM 892 O TYR A 836 17.627 15.003 -10.001 1.00 73.33 O ATOM 893 CB TYR A 836 19.578 12.707 -9.800 1.00 42.54 C ATOM 894 CG TYR A 836 21.092 12.502 -9.720 1.00 61.33 C ATOM 895 CD1 TYR A 836 21.651 11.922 -8.600 1.00 24.03 C ATOM 896 CD2 TYR A 836 21.899 12.896 -10.769 1.00 34.23 C ATOM 897 CE1 TYR A 836 23.076 11.728 -8.524 1.00 43.34 C ATOM 898 CE2 TYR A 836 23.324 12.702 -10.693 1.00 55.24 C ATOM 899 CZ TYR A 836 23.842 12.128 -9.575 1.00 21.01 C ATOM 900 OH TYR A 836 25.188 11.945 -9.504 1.00 12.13 O ATOM 0 H TYR A 836 18.389 11.767 -7.773 1.00 45.41 H new ATOM 0 HA TYR A 836 19.659 14.389 -8.394 1.00 63.23 H new ATOM 0 HB2 TYR A 836 19.089 11.733 -9.791 1.00 42.54 H new ATOM 0 HB3 TYR A 836 19.335 13.177 -10.753 1.00 42.54 H new ATOM 0 HD1 TYR A 836 21.020 11.613 -7.780 1.00 24.03 H new ATOM 0 HD2 TYR A 836 21.462 13.350 -11.646 1.00 34.23 H new ATOM 0 HE1 TYR A 836 23.526 11.275 -7.653 1.00 43.34 H new ATOM 0 HE2 TYR A 836 23.967 13.006 -11.506 1.00 55.24 H new ATOM 0 HH TYR A 836 25.607 12.276 -10.326 1.00 12.13 H new ATOM 910 N VAL A 837 16.605 13.676 -8.482 1.00 32.24 N ATOM 911 CA VAL A 837 15.269 14.147 -8.804 1.00 74.32 C ATOM 912 C VAL A 837 14.644 14.785 -7.562 1.00 51.41 C ATOM 913 O VAL A 837 15.261 14.817 -6.499 1.00 23.23 O ATOM 914 CB VAL A 837 14.432 12.998 -9.371 1.00 54.10 C ATOM 915 CG1 VAL A 837 14.920 12.600 -10.765 1.00 23.41 C ATOM 916 CG2 VAL A 837 14.437 11.797 -8.424 1.00 34.33 C ATOM 0 H VAL A 837 16.643 12.969 -7.747 1.00 32.24 H new ATOM 0 HA VAL A 837 15.311 14.914 -9.577 1.00 74.32 H new ATOM 0 HB VAL A 837 13.403 13.347 -9.464 1.00 54.10 H new ATOM 0 HG11 VAL A 837 14.308 11.782 -11.145 1.00 23.41 H new ATOM 0 HG12 VAL A 837 14.840 13.455 -11.436 1.00 23.41 H new ATOM 0 HG13 VAL A 837 15.960 12.279 -10.709 1.00 23.41 H new ATOM 0 HG21 VAL A 837 13.835 10.995 -8.851 1.00 34.33 H new ATOM 0 HG22 VAL A 837 15.460 11.448 -8.284 1.00 34.33 H new ATOM 0 HG23 VAL A 837 14.019 12.091 -7.461 1.00 34.33 H new ATOM 926 N GLU A 838 13.427 15.279 -7.738 1.00 71.32 N ATOM 927 CA GLU A 838 12.712 15.915 -6.645 1.00 32.22 C ATOM 928 C GLU A 838 11.512 15.062 -6.228 1.00 52.01 C ATOM 929 O GLU A 838 11.197 14.067 -6.879 1.00 54.34 O ATOM 930 CB GLU A 838 12.273 17.330 -7.026 1.00 72.25 C ATOM 931 CG GLU A 838 13.346 18.356 -6.655 1.00 75.33 C ATOM 932 CD GLU A 838 12.726 19.734 -6.413 1.00 60.42 C ATOM 933 OE1 GLU A 838 12.467 20.102 -5.258 1.00 0.50 O ATOM 934 OE2 GLU A 838 12.515 20.431 -7.478 1.00 1.24 O ATOM 0 H GLU A 838 12.918 15.251 -8.622 1.00 71.32 H new ATOM 0 HA GLU A 838 13.388 15.997 -5.794 1.00 32.22 H new ATOM 0 HB2 GLU A 838 12.075 17.377 -8.097 1.00 72.25 H new ATOM 0 HB3 GLU A 838 11.340 17.574 -6.518 1.00 72.25 H new ATOM 0 HG2 GLU A 838 13.874 18.028 -5.759 1.00 75.33 H new ATOM 0 HG3 GLU A 838 14.084 18.421 -7.454 1.00 75.33 H new ATOM 942 N GLU A 839 10.875 15.483 -5.145 1.00 71.31 N ATOM 943 CA GLU A 839 9.717 14.770 -4.634 1.00 35.11 C ATOM 944 C GLU A 839 8.760 15.741 -3.939 1.00 72.11 C ATOM 945 O GLU A 839 9.182 16.551 -3.116 1.00 10.24 O ATOM 946 CB GLU A 839 10.139 13.645 -3.687 1.00 71.21 C ATOM 947 CG GLU A 839 10.885 12.543 -4.443 1.00 11.22 C ATOM 948 CD GLU A 839 12.388 12.824 -4.478 1.00 44.33 C ATOM 949 OE1 GLU A 839 13.021 12.680 -5.535 1.00 23.02 O ATOM 950 OE2 GLU A 839 12.898 13.207 -3.357 1.00 23.33 O ATOM 0 H GLU A 839 11.139 16.309 -4.608 1.00 71.31 H new ATOM 0 HA GLU A 839 9.195 14.315 -5.476 1.00 35.11 H new ATOM 0 HB2 GLU A 839 10.777 14.047 -2.900 1.00 71.21 H new ATOM 0 HB3 GLU A 839 9.259 13.225 -3.200 1.00 71.21 H new ATOM 0 HG2 GLU A 839 10.702 11.581 -3.964 1.00 11.22 H new ATOM 0 HG3 GLU A 839 10.501 12.471 -5.461 1.00 11.22 H new ATOM 958 N ASP A 840 7.489 15.627 -4.297 1.00 2.32 N ATOM 959 CA ASP A 840 6.469 16.485 -3.718 1.00 2.10 C ATOM 960 C ASP A 840 7.016 17.909 -3.596 1.00 15.00 C ATOM 961 O ASP A 840 6.620 18.655 -2.701 1.00 64.22 O ATOM 962 CB ASP A 840 6.077 16.008 -2.318 1.00 63.43 C ATOM 963 CG ASP A 840 4.959 16.811 -1.651 1.00 20.54 C ATOM 964 OD1 ASP A 840 3.893 17.036 -2.243 1.00 22.30 O ATOM 965 OD2 ASP A 840 5.220 17.218 -0.455 1.00 34.34 O ATOM 0 H ASP A 840 7.143 14.954 -4.980 1.00 2.32 H new ATOM 0 HA ASP A 840 5.594 16.454 -4.367 1.00 2.10 H new ATOM 0 HB2 ASP A 840 5.768 14.965 -2.379 1.00 63.43 H new ATOM 0 HB3 ASP A 840 6.959 16.042 -1.679 1.00 63.43 H new ATOM 971 N TYR A 841 7.916 18.243 -4.509 1.00 12.43 N ATOM 972 CA TYR A 841 8.520 19.565 -4.515 1.00 25.44 C ATOM 973 C TYR A 841 7.451 20.657 -4.569 1.00 14.13 C ATOM 974 O TYR A 841 7.604 21.712 -3.956 1.00 3.33 O ATOM 975 CB TYR A 841 9.368 19.635 -5.786 1.00 65.42 C ATOM 976 CG TYR A 841 8.647 19.144 -7.043 1.00 21.21 C ATOM 977 CD1 TYR A 841 7.852 20.010 -7.765 1.00 40.30 C ATOM 978 CD2 TYR A 841 8.792 17.834 -7.455 1.00 14.34 C ATOM 979 CE1 TYR A 841 7.173 19.548 -8.948 1.00 1.41 C ATOM 980 CE2 TYR A 841 8.113 17.372 -8.637 1.00 54.45 C ATOM 981 CZ TYR A 841 7.337 18.252 -9.326 1.00 12.23 C ATOM 982 OH TYR A 841 6.696 17.816 -10.443 1.00 34.11 O ATOM 0 H TYR A 841 8.242 17.622 -5.249 1.00 12.43 H new ATOM 0 HA TYR A 841 9.108 19.722 -3.611 1.00 25.44 H new ATOM 0 HB2 TYR A 841 9.687 20.666 -5.942 1.00 65.42 H new ATOM 0 HB3 TYR A 841 10.270 19.041 -5.642 1.00 65.42 H new ATOM 0 HD1 TYR A 841 7.739 21.035 -7.443 1.00 40.30 H new ATOM 0 HD2 TYR A 841 9.415 17.156 -6.890 1.00 14.34 H new ATOM 0 HE1 TYR A 841 6.548 20.216 -9.522 1.00 1.41 H new ATOM 0 HE2 TYR A 841 8.217 16.350 -8.970 1.00 54.45 H new ATOM 0 HH TYR A 841 6.591 18.561 -11.072 1.00 34.11 H new