USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 423 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 786 THR OG1 : rot 180:sc= 0 USER MOD Single : A 788 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 791 TYR OH : rot 180:sc= 0 USER MOD Single : A 794 CYS SG : rot 180:sc= 0 USER MOD Single : A 799 SER OG : rot 180:sc= 0 USER MOD Single : A 802 SER OG : rot 180:sc= 0 USER MOD Single : A 804 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.3) USER MOD Single : A 810 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 813 ASN : amide:sc= -0.179 K(o=-0.18,f=-2.6!) USER MOD Single : A 814 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.132) USER MOD Single : A 826 TYR OH : rot 119:sc= 1.11 USER MOD Single : A 834 SER OG : rot 180:sc= 0 USER MOD Single : A 835 ASN : amide:sc= -0.0304 X(o=-0.03,f=-0.34) USER MOD Single : A 836 TYR OH : rot 180:sc= 0 USER MOD Single : A 841 TYR OH : rot 23:sc= -2.01 USER MOD ----------------------------------------------------------------- ATOM 63 N GLY A 785 4.173 10.392 -5.507 1.00 50.45 N ATOM 64 CA GLY A 785 4.201 11.824 -5.757 1.00 25.41 C ATOM 65 C GLY A 785 5.033 12.147 -7.000 1.00 10.21 C ATOM 66 O GLY A 785 4.686 11.739 -8.107 1.00 14.10 O ATOM 0 HA2 GLY A 785 3.184 12.194 -5.889 1.00 25.41 H new ATOM 0 HA3 GLY A 785 4.618 12.340 -4.892 1.00 25.41 H new ATOM 70 N THR A 786 6.115 12.878 -6.775 1.00 23.40 N ATOM 71 CA THR A 786 6.999 13.261 -7.863 1.00 20.41 C ATOM 72 C THR A 786 8.386 13.616 -7.323 1.00 71.24 C ATOM 73 O THR A 786 8.574 13.732 -6.113 1.00 63.44 O ATOM 74 CB THR A 786 6.335 14.405 -8.631 1.00 74.54 C ATOM 75 OG1 THR A 786 5.731 15.201 -7.615 1.00 61.24 O ATOM 76 CG2 THR A 786 5.155 13.931 -9.483 1.00 21.50 C ATOM 0 H THR A 786 6.400 13.215 -5.855 1.00 23.40 H new ATOM 0 HA THR A 786 7.156 12.434 -8.555 1.00 20.41 H new ATOM 0 HB THR A 786 7.073 14.889 -9.270 1.00 74.54 H new ATOM 0 HG1 THR A 786 5.279 15.967 -8.025 1.00 61.24 H new ATOM 0 HG21 THR A 786 4.720 14.782 -10.007 1.00 21.50 H new ATOM 0 HG22 THR A 786 5.503 13.196 -10.209 1.00 21.50 H new ATOM 0 HG23 THR A 786 4.401 13.477 -8.840 1.00 21.50 H new ATOM 84 N ALA A 787 9.321 13.779 -8.248 1.00 2.04 N ATOM 85 CA ALA A 787 10.685 14.119 -7.880 1.00 23.20 C ATOM 86 C ALA A 787 11.301 14.993 -8.975 1.00 22.55 C ATOM 87 O ALA A 787 11.617 14.505 -10.059 1.00 31.12 O ATOM 88 CB ALA A 787 11.484 12.836 -7.639 1.00 51.14 C ATOM 0 H ALA A 787 9.161 13.682 -9.251 1.00 2.04 H new ATOM 0 HA ALA A 787 10.701 14.692 -6.953 1.00 23.20 H new ATOM 0 HB1 ALA A 787 12.507 13.091 -7.363 1.00 51.14 H new ATOM 0 HB2 ALA A 787 11.022 12.266 -6.833 1.00 51.14 H new ATOM 0 HB3 ALA A 787 11.493 12.236 -8.549 1.00 51.14 H new ATOM 94 N LYS A 788 11.454 16.269 -8.653 1.00 32.33 N ATOM 95 CA LYS A 788 12.026 17.215 -9.595 1.00 63.11 C ATOM 96 C LYS A 788 13.487 16.845 -9.859 1.00 61.52 C ATOM 97 O LYS A 788 14.247 16.596 -8.924 1.00 71.44 O ATOM 98 CB LYS A 788 11.836 18.649 -9.097 1.00 72.00 C ATOM 99 CG LYS A 788 12.332 19.660 -10.133 1.00 22.31 C ATOM 100 CD LYS A 788 12.079 21.094 -9.665 1.00 14.12 C ATOM 101 CE LYS A 788 11.749 22.007 -10.848 1.00 22.32 C ATOM 102 NZ LYS A 788 11.576 23.404 -10.392 1.00 4.11 N ATOM 0 H LYS A 788 11.192 16.670 -7.752 1.00 32.33 H new ATOM 0 HA LYS A 788 11.505 17.162 -10.551 1.00 63.11 H new ATOM 0 HB2 LYS A 788 10.782 18.827 -8.885 1.00 72.00 H new ATOM 0 HB3 LYS A 788 12.377 18.787 -8.161 1.00 72.00 H new ATOM 0 HG2 LYS A 788 13.398 19.514 -10.308 1.00 22.31 H new ATOM 0 HG3 LYS A 788 11.827 19.489 -11.084 1.00 22.31 H new ATOM 0 HD2 LYS A 788 11.256 21.107 -8.950 1.00 14.12 H new ATOM 0 HD3 LYS A 788 12.959 21.471 -9.145 1.00 14.12 H new ATOM 0 HE2 LYS A 788 12.548 21.956 -11.588 1.00 22.32 H new ATOM 0 HE3 LYS A 788 10.838 21.663 -11.338 1.00 22.32 H new ATOM 0 HZ1 LYS A 788 11.353 24.010 -11.207 1.00 4.11 H new ATOM 0 HZ2 LYS A 788 10.799 23.450 -9.703 1.00 4.11 H new ATOM 0 HZ3 LYS A 788 12.455 23.735 -9.945 1.00 4.11 H new ATOM 115 N ALA A 789 13.836 16.820 -11.137 1.00 23.20 N ATOM 116 CA ALA A 789 15.193 16.484 -11.536 1.00 34.01 C ATOM 117 C ALA A 789 16.101 17.694 -11.309 1.00 53.21 C ATOM 118 O ALA A 789 15.791 18.799 -11.753 1.00 30.04 O ATOM 119 CB ALA A 789 15.196 16.018 -12.993 1.00 73.40 C ATOM 0 H ALA A 789 13.203 17.027 -11.910 1.00 23.20 H new ATOM 0 HA ALA A 789 15.579 15.664 -10.931 1.00 34.01 H new ATOM 0 HB1 ALA A 789 16.213 15.766 -13.292 1.00 73.40 H new ATOM 0 HB2 ALA A 789 14.559 15.139 -13.095 1.00 73.40 H new ATOM 0 HB3 ALA A 789 14.817 16.816 -13.631 1.00 73.40 H new ATOM 125 N ARG A 790 17.204 17.445 -10.619 1.00 13.03 N ATOM 126 CA ARG A 790 18.159 18.501 -10.328 1.00 30.43 C ATOM 127 C ARG A 790 19.328 18.445 -11.313 1.00 22.10 C ATOM 128 O ARG A 790 20.213 19.299 -11.281 1.00 31.23 O ATOM 129 CB ARG A 790 18.697 18.378 -8.901 1.00 2.23 C ATOM 130 CG ARG A 790 17.631 18.774 -7.877 1.00 24.01 C ATOM 131 CD ARG A 790 17.308 20.266 -7.972 1.00 14.45 C ATOM 132 NE ARG A 790 18.560 21.055 -7.997 1.00 54.25 N ATOM 133 CZ ARG A 790 18.670 22.282 -8.551 1.00 21.42 C ATOM 134 NH1 ARG A 790 17.602 22.871 -9.130 1.00 24.21 N ATOM 135 NH2 ARG A 790 19.838 22.896 -8.517 1.00 51.03 N ATOM 0 H ARG A 790 17.458 16.527 -10.253 1.00 13.03 H new ATOM 0 HA ARG A 790 17.641 19.455 -10.428 1.00 30.43 H new ATOM 0 HB2 ARG A 790 19.020 17.353 -8.717 1.00 2.23 H new ATOM 0 HB3 ARG A 790 19.574 19.015 -8.783 1.00 2.23 H new ATOM 0 HG2 ARG A 790 16.726 18.191 -8.045 1.00 24.01 H new ATOM 0 HG3 ARG A 790 17.981 18.537 -6.872 1.00 24.01 H new ATOM 0 HD2 ARG A 790 16.726 20.464 -8.872 1.00 14.45 H new ATOM 0 HD3 ARG A 790 16.695 20.568 -7.123 1.00 14.45 H new ATOM 0 HE ARG A 790 19.391 20.647 -7.569 1.00 54.25 H new ATOM 0 HH11 ARG A 790 16.703 22.389 -9.151 1.00 24.21 H new ATOM 0 HH12 ARG A 790 17.694 23.798 -9.546 1.00 24.21 H new ATOM 0 HH21 ARG A 790 20.639 22.444 -8.077 1.00 51.03 H new ATOM 0 HH22 ARG A 790 19.939 23.823 -8.931 1.00 51.03 H new ATOM 148 N TYR A 791 19.294 17.431 -12.166 1.00 1.44 N ATOM 149 CA TYR A 791 20.340 17.253 -13.158 1.00 50.25 C ATOM 150 C TYR A 791 19.838 16.422 -14.341 1.00 54.40 C ATOM 151 O TYR A 791 19.283 15.341 -14.153 1.00 63.42 O ATOM 152 CB TYR A 791 21.464 16.490 -12.455 1.00 33.41 C ATOM 153 CG TYR A 791 21.904 17.113 -11.129 1.00 21.11 C ATOM 154 CD1 TYR A 791 21.256 16.775 -9.958 1.00 72.24 C ATOM 155 CD2 TYR A 791 22.950 18.013 -11.103 1.00 52.31 C ATOM 156 CE1 TYR A 791 21.670 17.361 -8.710 1.00 43.44 C ATOM 157 CE2 TYR A 791 23.364 18.600 -9.855 1.00 63.01 C ATOM 158 CZ TYR A 791 22.704 18.245 -8.720 1.00 41.13 C ATOM 159 OH TYR A 791 23.096 18.799 -7.542 1.00 14.14 O ATOM 0 H TYR A 791 18.558 16.725 -12.190 1.00 1.44 H new ATOM 0 HA TYR A 791 20.669 18.217 -13.546 1.00 50.25 H new ATOM 0 HB2 TYR A 791 21.136 15.467 -12.273 1.00 33.41 H new ATOM 0 HB3 TYR A 791 22.324 16.435 -13.122 1.00 33.41 H new ATOM 0 HD1 TYR A 791 20.438 16.070 -9.978 1.00 72.24 H new ATOM 0 HD2 TYR A 791 23.458 18.277 -12.019 1.00 52.31 H new ATOM 0 HE1 TYR A 791 21.171 17.105 -7.787 1.00 43.44 H new ATOM 0 HE2 TYR A 791 24.180 19.306 -9.821 1.00 63.01 H new ATOM 0 HH TYR A 791 23.845 19.410 -7.701 1.00 14.14 H new ATOM 169 N ASP A 792 20.050 16.960 -15.533 1.00 73.03 N ATOM 170 CA ASP A 792 19.625 16.282 -16.746 1.00 63.22 C ATOM 171 C ASP A 792 20.436 14.996 -16.917 1.00 24.33 C ATOM 172 O ASP A 792 21.658 15.041 -17.052 1.00 2.44 O ATOM 173 CB ASP A 792 19.863 17.157 -17.978 1.00 55.14 C ATOM 174 CG ASP A 792 19.978 16.395 -19.300 1.00 41.32 C ATOM 175 OD1 ASP A 792 21.086 16.150 -19.801 1.00 75.21 O ATOM 176 OD2 ASP A 792 18.854 16.044 -19.827 1.00 41.32 O ATOM 0 H ASP A 792 20.510 17.857 -15.685 1.00 73.03 H new ATOM 0 HA ASP A 792 18.560 16.066 -16.656 1.00 63.22 H new ATOM 0 HB2 ASP A 792 19.046 17.874 -18.059 1.00 55.14 H new ATOM 0 HB3 ASP A 792 20.777 17.731 -17.826 1.00 55.14 H new ATOM 182 N PHE A 793 19.724 13.879 -16.905 1.00 70.30 N ATOM 183 CA PHE A 793 20.362 12.582 -17.057 1.00 4.34 C ATOM 184 C PHE A 793 20.103 12.003 -18.449 1.00 22.12 C ATOM 185 O PHE A 793 18.958 11.928 -18.890 1.00 74.43 O ATOM 186 CB PHE A 793 19.745 11.655 -16.008 1.00 63.42 C ATOM 187 CG PHE A 793 20.693 10.562 -15.510 1.00 31.44 C ATOM 188 CD1 PHE A 793 21.988 10.863 -15.224 1.00 30.23 C ATOM 189 CD2 PHE A 793 20.240 9.289 -15.352 1.00 61.13 C ATOM 190 CE1 PHE A 793 22.867 9.849 -14.761 1.00 63.51 C ATOM 191 CE2 PHE A 793 21.120 8.274 -14.890 1.00 14.53 C ATOM 192 CZ PHE A 793 22.415 8.576 -14.604 1.00 33.31 C ATOM 0 H PHE A 793 18.711 13.845 -16.792 1.00 70.30 H new ATOM 0 HA PHE A 793 21.440 12.680 -16.929 1.00 4.34 H new ATOM 0 HB2 PHE A 793 19.417 12.253 -15.157 1.00 63.42 H new ATOM 0 HB3 PHE A 793 18.856 11.186 -16.430 1.00 63.42 H new ATOM 0 HD1 PHE A 793 22.348 11.874 -15.349 1.00 30.23 H new ATOM 0 HD2 PHE A 793 19.211 9.050 -15.578 1.00 61.13 H new ATOM 0 HE1 PHE A 793 23.895 10.089 -14.533 1.00 63.51 H new ATOM 0 HE2 PHE A 793 20.761 7.263 -14.766 1.00 14.53 H new ATOM 0 HZ PHE A 793 23.084 7.805 -14.252 1.00 33.31 H new ATOM 202 N CYS A 794 21.186 11.608 -19.102 1.00 4.33 N ATOM 203 CA CYS A 794 21.091 11.038 -20.435 1.00 33.03 C ATOM 204 C CYS A 794 20.976 9.518 -20.300 1.00 13.31 C ATOM 205 O CYS A 794 21.960 8.841 -20.009 1.00 44.10 O ATOM 206 CB CYS A 794 22.277 11.445 -21.311 1.00 2.14 C ATOM 207 SG CYS A 794 22.087 13.182 -21.854 1.00 10.20 S ATOM 0 H CYS A 794 22.135 11.672 -18.732 1.00 4.33 H new ATOM 0 HA CYS A 794 20.204 11.426 -20.936 1.00 33.03 H new ATOM 0 HB2 CYS A 794 23.207 11.329 -20.755 1.00 2.14 H new ATOM 0 HB3 CYS A 794 22.341 10.789 -22.179 1.00 2.14 H new ATOM 0 HG CYS A 794 23.101 13.518 -22.595 1.00 10.20 H new ATOM 213 N ALA A 795 19.765 9.027 -20.518 1.00 33.12 N ATOM 214 CA ALA A 795 19.508 7.600 -20.424 1.00 63.33 C ATOM 215 C ALA A 795 20.254 6.877 -21.548 1.00 55.34 C ATOM 216 O ALA A 795 19.907 7.020 -22.720 1.00 13.12 O ATOM 217 CB ALA A 795 18.000 7.348 -20.469 1.00 32.11 C ATOM 0 H ALA A 795 18.951 9.592 -20.759 1.00 33.12 H new ATOM 0 HA ALA A 795 19.876 7.206 -19.477 1.00 63.33 H new ATOM 0 HB1 ALA A 795 17.808 6.277 -20.398 1.00 32.11 H new ATOM 0 HB2 ALA A 795 17.521 7.859 -19.634 1.00 32.11 H new ATOM 0 HB3 ALA A 795 17.595 7.728 -21.407 1.00 32.11 H new ATOM 223 N ARG A 796 21.264 6.117 -21.152 1.00 53.12 N ATOM 224 CA ARG A 796 22.061 5.372 -22.112 1.00 11.12 C ATOM 225 C ARG A 796 21.222 4.265 -22.754 1.00 13.45 C ATOM 226 O ARG A 796 21.556 3.773 -23.830 1.00 23.32 O ATOM 227 CB ARG A 796 23.288 4.749 -21.443 1.00 11.32 C ATOM 228 CG ARG A 796 22.895 3.536 -20.598 1.00 71.40 C ATOM 229 CD ARG A 796 24.067 3.067 -19.733 1.00 70.34 C ATOM 230 NE ARG A 796 24.887 2.087 -20.481 1.00 11.14 N ATOM 231 CZ ARG A 796 25.896 2.423 -21.312 1.00 24.41 C ATOM 232 NH1 ARG A 796 26.219 3.718 -21.509 1.00 43.45 N ATOM 233 NH2 ARG A 796 26.563 1.465 -21.929 1.00 32.44 N ATOM 0 H ARG A 796 21.549 6.001 -20.180 1.00 53.12 H new ATOM 0 HA ARG A 796 22.394 6.071 -22.879 1.00 11.12 H new ATOM 0 HB2 ARG A 796 24.008 4.449 -22.204 1.00 11.32 H new ATOM 0 HB3 ARG A 796 23.780 5.491 -20.814 1.00 11.32 H new ATOM 0 HG2 ARG A 796 22.048 3.791 -19.961 1.00 71.40 H new ATOM 0 HG3 ARG A 796 22.571 2.724 -21.249 1.00 71.40 H new ATOM 0 HD2 ARG A 796 24.680 3.920 -19.443 1.00 70.34 H new ATOM 0 HD3 ARG A 796 23.694 2.615 -18.814 1.00 70.34 H new ATOM 0 HE ARG A 796 24.676 1.096 -20.361 1.00 11.14 H new ATOM 0 HH11 ARG A 796 25.699 4.452 -21.028 1.00 43.45 H new ATOM 0 HH12 ARG A 796 26.983 3.963 -22.139 1.00 43.45 H new ATOM 0 HH21 ARG A 796 26.313 0.488 -21.774 1.00 32.44 H new ATOM 0 HH22 ARG A 796 27.328 1.702 -22.560 1.00 32.44 H new ATOM 246 N ASP A 797 20.147 3.907 -22.066 1.00 5.02 N ATOM 247 CA ASP A 797 19.258 2.868 -22.555 1.00 72.33 C ATOM 248 C ASP A 797 17.916 2.967 -21.827 1.00 73.33 C ATOM 249 O ASP A 797 17.716 3.859 -21.005 1.00 10.23 O ATOM 250 CB ASP A 797 19.838 1.477 -22.291 1.00 35.24 C ATOM 251 CG ASP A 797 20.762 0.942 -23.387 1.00 13.25 C ATOM 252 OD1 ASP A 797 21.990 0.895 -23.220 1.00 35.45 O ATOM 253 OD2 ASP A 797 20.165 0.559 -24.464 1.00 31.20 O ATOM 0 H ASP A 797 19.872 4.318 -21.174 1.00 5.02 H new ATOM 0 HA ASP A 797 19.134 3.009 -23.629 1.00 72.33 H new ATOM 0 HB2 ASP A 797 20.390 1.503 -21.352 1.00 35.24 H new ATOM 0 HB3 ASP A 797 19.014 0.776 -22.157 1.00 35.24 H new ATOM 259 N ARG A 798 17.030 2.038 -22.156 1.00 63.34 N ATOM 260 CA ARG A 798 15.713 2.009 -21.544 1.00 52.13 C ATOM 261 C ARG A 798 15.825 1.657 -20.060 1.00 11.25 C ATOM 262 O ARG A 798 14.856 1.785 -19.313 1.00 11.23 O ATOM 263 CB ARG A 798 14.806 0.989 -22.236 1.00 41.30 C ATOM 264 CG ARG A 798 14.716 1.266 -23.738 1.00 63.53 C ATOM 265 CD ARG A 798 14.000 0.124 -24.464 1.00 2.53 C ATOM 266 NE ARG A 798 14.504 0.012 -25.851 1.00 33.21 N ATOM 267 CZ ARG A 798 14.090 0.792 -26.872 1.00 2.21 C ATOM 268 NH1 ARG A 798 13.161 1.750 -26.669 1.00 42.51 N ATOM 269 NH2 ARG A 798 14.608 0.604 -28.072 1.00 12.15 N ATOM 0 H ARG A 798 17.199 1.300 -22.839 1.00 63.34 H new ATOM 0 HA ARG A 798 15.275 3.001 -21.654 1.00 52.13 H new ATOM 0 HB2 ARG A 798 15.191 -0.017 -22.071 1.00 41.30 H new ATOM 0 HB3 ARG A 798 13.810 1.025 -21.796 1.00 41.30 H new ATOM 0 HG2 ARG A 798 14.182 2.201 -23.908 1.00 63.53 H new ATOM 0 HG3 ARG A 798 15.718 1.392 -24.149 1.00 63.53 H new ATOM 0 HD2 ARG A 798 14.162 -0.814 -23.933 1.00 2.53 H new ATOM 0 HD3 ARG A 798 12.925 0.304 -24.472 1.00 2.53 H new ATOM 0 HE ARG A 798 15.208 -0.699 -26.048 1.00 33.21 H new ATOM 0 HH11 ARG A 798 12.766 1.889 -25.739 1.00 42.51 H new ATOM 0 HH12 ARG A 798 12.854 2.335 -27.446 1.00 42.51 H new ATOM 0 HH21 ARG A 798 15.310 -0.122 -28.217 1.00 12.15 H new ATOM 0 HH22 ARG A 798 14.306 1.185 -28.854 1.00 12.15 H new ATOM 282 N SER A 799 17.016 1.221 -19.676 1.00 35.32 N ATOM 283 CA SER A 799 17.267 0.849 -18.294 1.00 12.43 C ATOM 284 C SER A 799 17.346 2.104 -17.421 1.00 35.41 C ATOM 285 O SER A 799 17.350 2.011 -16.194 1.00 43.53 O ATOM 286 CB SER A 799 18.555 0.034 -18.168 1.00 70.40 C ATOM 287 OG SER A 799 19.716 0.858 -18.220 1.00 2.10 O ATOM 0 H SER A 799 17.818 1.117 -20.298 1.00 35.32 H new ATOM 0 HA SER A 799 16.440 0.226 -17.952 1.00 12.43 H new ATOM 0 HB2 SER A 799 18.544 -0.518 -17.228 1.00 70.40 H new ATOM 0 HB3 SER A 799 18.597 -0.703 -18.970 1.00 70.40 H new ATOM 0 HG SER A 799 20.517 0.300 -18.134 1.00 2.10 H new ATOM 293 N GLU A 800 17.405 3.247 -18.088 1.00 23.12 N ATOM 294 CA GLU A 800 17.484 4.518 -17.388 1.00 54.14 C ATOM 295 C GLU A 800 16.348 5.441 -17.835 1.00 74.50 C ATOM 296 O GLU A 800 15.757 5.236 -18.895 1.00 5.13 O ATOM 297 CB GLU A 800 18.845 5.181 -17.606 1.00 24.52 C ATOM 298 CG GLU A 800 19.203 6.097 -16.434 1.00 32.02 C ATOM 299 CD GLU A 800 19.239 5.316 -15.119 1.00 11.25 C ATOM 300 OE1 GLU A 800 19.086 5.910 -14.041 1.00 2.13 O ATOM 301 OE2 GLU A 800 19.433 4.047 -15.243 1.00 74.00 O ATOM 0 H GLU A 800 17.400 3.320 -19.105 1.00 23.12 H new ATOM 0 HA GLU A 800 17.375 4.329 -16.320 1.00 54.14 H new ATOM 0 HB2 GLU A 800 19.612 4.415 -17.721 1.00 24.52 H new ATOM 0 HB3 GLU A 800 18.829 5.758 -18.531 1.00 24.52 H new ATOM 0 HG2 GLU A 800 20.173 6.560 -16.613 1.00 32.02 H new ATOM 0 HG3 GLU A 800 18.473 6.904 -16.362 1.00 32.02 H new ATOM 309 N LEU A 801 16.075 6.436 -17.004 1.00 43.25 N ATOM 310 CA LEU A 801 15.021 7.391 -17.301 1.00 35.34 C ATOM 311 C LEU A 801 15.644 8.692 -17.808 1.00 43.32 C ATOM 312 O LEU A 801 16.672 9.133 -17.296 1.00 41.22 O ATOM 313 CB LEU A 801 14.111 7.578 -16.085 1.00 35.10 C ATOM 314 CG LEU A 801 12.629 7.816 -16.386 1.00 64.42 C ATOM 315 CD1 LEU A 801 11.843 8.072 -15.099 1.00 54.14 C ATOM 316 CD2 LEU A 801 12.451 8.946 -17.402 1.00 71.41 C ATOM 0 H LEU A 801 16.565 6.602 -16.125 1.00 43.25 H new ATOM 0 HA LEU A 801 14.379 7.014 -18.097 1.00 35.34 H new ATOM 0 HB2 LEU A 801 14.196 6.694 -15.453 1.00 35.10 H new ATOM 0 HB3 LEU A 801 14.483 8.422 -15.504 1.00 35.10 H new ATOM 0 HG LEU A 801 12.222 6.911 -16.837 1.00 64.42 H new ATOM 0 HD11 LEU A 801 10.793 8.238 -15.341 1.00 54.14 H new ATOM 0 HD12 LEU A 801 11.931 7.208 -14.441 1.00 54.14 H new ATOM 0 HD13 LEU A 801 12.243 8.953 -14.597 1.00 54.14 H new ATOM 0 HD21 LEU A 801 11.389 9.095 -17.598 1.00 71.41 H new ATOM 0 HD22 LEU A 801 12.878 9.866 -17.002 1.00 71.41 H new ATOM 0 HD23 LEU A 801 12.958 8.684 -18.330 1.00 71.41 H new ATOM 328 N SER A 802 14.996 9.271 -18.809 1.00 24.24 N ATOM 329 CA SER A 802 15.475 10.513 -19.391 1.00 53.11 C ATOM 330 C SER A 802 15.092 11.693 -18.495 1.00 23.32 C ATOM 331 O SER A 802 13.958 12.167 -18.537 1.00 42.23 O ATOM 332 CB SER A 802 14.913 10.713 -20.800 1.00 13.10 C ATOM 333 OG SER A 802 15.605 9.929 -21.767 1.00 64.33 O ATOM 0 H SER A 802 14.144 8.903 -19.231 1.00 24.24 H new ATOM 0 HA SER A 802 16.561 10.459 -19.466 1.00 53.11 H new ATOM 0 HB2 SER A 802 13.855 10.449 -20.809 1.00 13.10 H new ATOM 0 HB3 SER A 802 14.981 11.766 -21.071 1.00 13.10 H new ATOM 0 HG SER A 802 15.215 10.083 -22.653 1.00 64.33 H new ATOM 339 N LEU A 803 16.060 12.132 -17.704 1.00 64.11 N ATOM 340 CA LEU A 803 15.839 13.247 -16.799 1.00 25.10 C ATOM 341 C LEU A 803 16.197 14.554 -17.510 1.00 22.23 C ATOM 342 O LEU A 803 16.964 14.552 -18.472 1.00 31.34 O ATOM 343 CB LEU A 803 16.599 13.032 -15.488 1.00 61.34 C ATOM 344 CG LEU A 803 15.834 12.304 -14.381 1.00 72.24 C ATOM 345 CD1 LEU A 803 14.909 11.235 -14.966 1.00 70.51 C ATOM 346 CD2 LEU A 803 16.794 11.724 -13.341 1.00 2.22 C ATOM 0 H LEU A 803 16.999 11.736 -17.671 1.00 64.11 H new ATOM 0 HA LEU A 803 14.786 13.311 -16.524 1.00 25.10 H new ATOM 0 HB2 LEU A 803 17.507 12.469 -15.705 1.00 61.34 H new ATOM 0 HB3 LEU A 803 16.910 14.005 -15.108 1.00 61.34 H new ATOM 0 HG LEU A 803 15.203 13.030 -13.867 1.00 72.24 H new ATOM 0 HD11 LEU A 803 14.377 10.732 -14.158 1.00 70.51 H new ATOM 0 HD12 LEU A 803 14.190 11.704 -15.637 1.00 70.51 H new ATOM 0 HD13 LEU A 803 15.500 10.506 -15.520 1.00 70.51 H new ATOM 0 HD21 LEU A 803 16.224 11.212 -12.566 1.00 2.22 H new ATOM 0 HD22 LEU A 803 17.468 11.016 -13.823 1.00 2.22 H new ATOM 0 HD23 LEU A 803 17.375 12.530 -12.892 1.00 2.22 H new ATOM 358 N LYS A 804 15.625 15.639 -17.009 1.00 30.55 N ATOM 359 CA LYS A 804 15.874 16.950 -17.583 1.00 71.45 C ATOM 360 C LYS A 804 15.590 18.025 -16.532 1.00 65.35 C ATOM 361 O LYS A 804 14.439 18.247 -16.161 1.00 71.15 O ATOM 362 CB LYS A 804 15.076 17.128 -18.876 1.00 74.15 C ATOM 363 CG LYS A 804 15.824 18.026 -19.864 1.00 23.24 C ATOM 364 CD LYS A 804 15.426 19.492 -19.682 1.00 32.10 C ATOM 365 CE LYS A 804 15.827 20.324 -20.901 1.00 45.23 C ATOM 366 NZ LYS A 804 17.251 20.097 -21.238 1.00 12.12 N ATOM 0 H LYS A 804 14.989 15.637 -16.211 1.00 30.55 H new ATOM 0 HA LYS A 804 16.922 17.050 -17.866 1.00 71.45 H new ATOM 0 HB2 LYS A 804 14.893 16.155 -19.331 1.00 74.15 H new ATOM 0 HB3 LYS A 804 14.102 17.563 -18.650 1.00 74.15 H new ATOM 0 HG2 LYS A 804 16.899 17.916 -19.719 1.00 23.24 H new ATOM 0 HG3 LYS A 804 15.607 17.710 -20.884 1.00 23.24 H new ATOM 0 HD2 LYS A 804 14.350 19.564 -19.526 1.00 32.10 H new ATOM 0 HD3 LYS A 804 15.905 19.894 -18.789 1.00 32.10 H new ATOM 0 HE2 LYS A 804 15.199 20.059 -21.752 1.00 45.23 H new ATOM 0 HE3 LYS A 804 15.659 21.382 -20.698 1.00 45.23 H new ATOM 0 HZ1 LYS A 804 17.586 20.858 -21.863 1.00 12.12 H new ATOM 0 HZ2 LYS A 804 17.817 20.091 -20.366 1.00 12.12 H new ATOM 0 HZ3 LYS A 804 17.352 19.182 -21.723 1.00 12.12 H new ATOM 379 N GLU A 805 16.660 18.664 -16.082 1.00 64.53 N ATOM 380 CA GLU A 805 16.541 19.710 -15.081 1.00 41.14 C ATOM 381 C GLU A 805 15.299 20.562 -15.349 1.00 74.33 C ATOM 382 O GLU A 805 15.048 20.960 -16.486 1.00 31.13 O ATOM 383 CB GLU A 805 17.801 20.576 -15.041 1.00 45.52 C ATOM 384 CG GLU A 805 18.889 19.924 -14.185 1.00 73.53 C ATOM 385 CD GLU A 805 20.283 20.306 -14.685 1.00 43.01 C ATOM 386 OE1 GLU A 805 20.718 19.821 -15.740 1.00 44.11 O ATOM 387 OE2 GLU A 805 20.921 21.140 -13.936 1.00 23.14 O ATOM 0 H GLU A 805 17.613 18.477 -16.392 1.00 64.53 H new ATOM 0 HA GLU A 805 16.432 19.240 -14.104 1.00 41.14 H new ATOM 0 HB2 GLU A 805 18.173 20.729 -16.054 1.00 45.52 H new ATOM 0 HB3 GLU A 805 17.558 21.559 -14.639 1.00 45.52 H new ATOM 0 HG2 GLU A 805 18.774 20.234 -13.146 1.00 73.53 H new ATOM 0 HG3 GLU A 805 18.775 18.840 -14.209 1.00 73.53 H new ATOM 395 N GLY A 806 14.554 20.816 -14.284 1.00 14.04 N ATOM 396 CA GLY A 806 13.343 21.613 -14.389 1.00 44.24 C ATOM 397 C GLY A 806 12.122 20.726 -14.639 1.00 63.31 C ATOM 398 O GLY A 806 10.989 21.203 -14.619 1.00 11.11 O ATOM 0 H GLY A 806 14.765 20.484 -13.343 1.00 14.04 H new ATOM 0 HA2 GLY A 806 13.200 22.185 -13.472 1.00 44.24 H new ATOM 0 HA3 GLY A 806 13.446 22.333 -15.201 1.00 44.24 H new ATOM 402 N ASP A 807 12.395 19.450 -14.869 1.00 21.31 N ATOM 403 CA ASP A 807 11.333 18.491 -15.122 1.00 51.12 C ATOM 404 C ASP A 807 10.997 17.753 -13.824 1.00 44.45 C ATOM 405 O ASP A 807 11.758 17.810 -12.859 1.00 40.25 O ATOM 406 CB ASP A 807 11.765 17.452 -16.159 1.00 35.13 C ATOM 407 CG ASP A 807 12.005 18.003 -17.566 1.00 4.15 C ATOM 408 OD1 ASP A 807 12.239 19.207 -17.748 1.00 64.04 O ATOM 409 OD2 ASP A 807 11.944 17.128 -18.512 1.00 3.24 O ATOM 0 H ASP A 807 13.336 19.058 -14.885 1.00 21.31 H new ATOM 0 HA ASP A 807 10.468 19.037 -15.498 1.00 51.12 H new ATOM 0 HB2 ASP A 807 12.681 16.973 -15.812 1.00 35.13 H new ATOM 0 HB3 ASP A 807 11.001 16.677 -16.214 1.00 35.13 H new ATOM 415 N ILE A 808 9.858 17.078 -13.843 1.00 33.01 N ATOM 416 CA ILE A 808 9.412 16.330 -12.680 1.00 22.14 C ATOM 417 C ILE A 808 9.380 14.838 -13.019 1.00 52.55 C ATOM 418 O ILE A 808 8.929 14.453 -14.097 1.00 44.44 O ATOM 419 CB ILE A 808 8.075 16.874 -12.172 1.00 43.34 C ATOM 420 CG1 ILE A 808 7.250 17.459 -13.321 1.00 22.04 C ATOM 421 CG2 ILE A 808 8.288 17.887 -11.046 1.00 12.25 C ATOM 422 CD1 ILE A 808 7.798 18.821 -13.752 1.00 23.15 C ATOM 0 H ILE A 808 9.230 17.033 -14.646 1.00 33.01 H new ATOM 0 HA ILE A 808 10.114 16.455 -11.856 1.00 22.14 H new ATOM 0 HB ILE A 808 7.504 16.044 -11.755 1.00 43.34 H new ATOM 0 HG12 ILE A 808 7.263 16.773 -14.168 1.00 22.04 H new ATOM 0 HG13 ILE A 808 6.210 17.563 -13.011 1.00 22.04 H new ATOM 0 HG21 ILE A 808 7.322 18.258 -10.703 1.00 12.25 H new ATOM 0 HG22 ILE A 808 8.807 17.406 -10.217 1.00 12.25 H new ATOM 0 HG23 ILE A 808 8.887 18.720 -11.414 1.00 12.25 H new ATOM 0 HD11 ILE A 808 7.194 19.214 -14.570 1.00 23.15 H new ATOM 0 HD12 ILE A 808 7.761 19.511 -12.909 1.00 23.15 H new ATOM 0 HD13 ILE A 808 8.830 18.709 -14.085 1.00 23.15 H new ATOM 434 N ILE A 809 9.863 14.039 -12.080 1.00 2.43 N ATOM 435 CA ILE A 809 9.895 12.599 -12.266 1.00 63.31 C ATOM 436 C ILE A 809 8.823 11.951 -11.388 1.00 0.25 C ATOM 437 O ILE A 809 8.900 12.013 -10.161 1.00 73.44 O ATOM 438 CB ILE A 809 11.304 12.057 -12.016 1.00 43.43 C ATOM 439 CG1 ILE A 809 12.174 12.193 -13.268 1.00 12.31 C ATOM 440 CG2 ILE A 809 11.255 10.616 -11.506 1.00 64.21 C ATOM 441 CD1 ILE A 809 12.792 13.590 -13.357 1.00 23.12 C ATOM 0 H ILE A 809 10.236 14.362 -11.187 1.00 2.43 H new ATOM 0 HA ILE A 809 9.659 12.344 -13.299 1.00 63.31 H new ATOM 0 HB ILE A 809 11.768 12.659 -11.235 1.00 43.43 H new ATOM 0 HG12 ILE A 809 12.964 11.442 -13.249 1.00 12.31 H new ATOM 0 HG13 ILE A 809 11.572 12.000 -14.156 1.00 12.31 H new ATOM 0 HG21 ILE A 809 12.270 10.255 -11.337 1.00 64.21 H new ATOM 0 HG22 ILE A 809 10.696 10.580 -10.571 1.00 64.21 H new ATOM 0 HG23 ILE A 809 10.764 9.984 -12.247 1.00 64.21 H new ATOM 0 HD11 ILE A 809 13.405 13.660 -14.255 1.00 23.12 H new ATOM 0 HD12 ILE A 809 11.999 14.337 -13.400 1.00 23.12 H new ATOM 0 HD13 ILE A 809 13.413 13.770 -12.479 1.00 23.12 H new ATOM 453 N LYS A 810 7.848 11.345 -12.049 1.00 50.30 N ATOM 454 CA LYS A 810 6.761 10.687 -11.344 1.00 5.14 C ATOM 455 C LYS A 810 7.300 9.444 -10.633 1.00 30.13 C ATOM 456 O LYS A 810 7.722 8.488 -11.281 1.00 72.50 O ATOM 457 CB LYS A 810 5.602 10.396 -12.298 1.00 73.21 C ATOM 458 CG LYS A 810 4.602 9.425 -11.666 1.00 11.41 C ATOM 459 CD LYS A 810 4.268 9.840 -10.231 1.00 73.35 C ATOM 460 CE LYS A 810 2.839 9.434 -9.862 1.00 65.22 C ATOM 461 NZ LYS A 810 1.884 10.498 -10.243 1.00 75.52 N ATOM 0 H LYS A 810 7.788 11.296 -13.066 1.00 50.30 H new ATOM 0 HA LYS A 810 6.353 11.343 -10.575 1.00 5.14 H new ATOM 0 HB2 LYS A 810 5.097 11.327 -12.557 1.00 73.21 H new ATOM 0 HB3 LYS A 810 5.987 9.974 -13.226 1.00 73.21 H new ATOM 0 HG2 LYS A 810 3.690 9.397 -12.262 1.00 11.41 H new ATOM 0 HG3 LYS A 810 5.016 8.417 -11.670 1.00 11.41 H new ATOM 0 HD2 LYS A 810 4.972 9.375 -9.541 1.00 73.35 H new ATOM 0 HD3 LYS A 810 4.383 10.919 -10.124 1.00 73.35 H new ATOM 0 HE2 LYS A 810 2.577 8.504 -10.367 1.00 65.22 H new ATOM 0 HE3 LYS A 810 2.773 9.245 -8.791 1.00 65.22 H new ATOM 0 HZ1 LYS A 810 0.919 10.207 -9.986 1.00 75.52 H new ATOM 0 HZ2 LYS A 810 2.126 11.377 -9.742 1.00 75.52 H new ATOM 0 HZ3 LYS A 810 1.935 10.659 -11.269 1.00 75.52 H new ATOM 474 N ILE A 811 7.268 9.498 -9.309 1.00 61.23 N ATOM 475 CA ILE A 811 7.748 8.388 -8.503 1.00 53.03 C ATOM 476 C ILE A 811 6.722 7.254 -8.543 1.00 72.41 C ATOM 477 O ILE A 811 5.575 7.434 -8.137 1.00 0.55 O ATOM 478 CB ILE A 811 8.087 8.861 -7.088 1.00 61.23 C ATOM 479 CG1 ILE A 811 8.949 10.125 -7.124 1.00 70.45 C ATOM 480 CG2 ILE A 811 8.745 7.741 -6.279 1.00 41.32 C ATOM 481 CD1 ILE A 811 10.370 9.806 -7.595 1.00 55.12 C ATOM 0 H ILE A 811 6.917 10.293 -8.775 1.00 61.23 H new ATOM 0 HA ILE A 811 8.677 7.993 -8.913 1.00 53.03 H new ATOM 0 HB ILE A 811 7.157 9.120 -6.582 1.00 61.23 H new ATOM 0 HG12 ILE A 811 8.497 10.859 -7.791 1.00 70.45 H new ATOM 0 HG13 ILE A 811 8.983 10.575 -6.132 1.00 70.45 H new ATOM 0 HG21 ILE A 811 8.976 8.103 -5.277 1.00 41.32 H new ATOM 0 HG22 ILE A 811 8.063 6.893 -6.210 1.00 41.32 H new ATOM 0 HG23 ILE A 811 9.665 7.428 -6.773 1.00 41.32 H new ATOM 0 HD11 ILE A 811 10.962 10.721 -7.612 1.00 55.12 H new ATOM 0 HD12 ILE A 811 10.828 9.090 -6.912 1.00 55.12 H new ATOM 0 HD13 ILE A 811 10.334 9.379 -8.597 1.00 55.12 H new ATOM 493 N LEU A 812 7.171 6.109 -9.037 1.00 3.24 N ATOM 494 CA LEU A 812 6.307 4.946 -9.135 1.00 33.52 C ATOM 495 C LEU A 812 6.761 3.892 -8.123 1.00 35.51 C ATOM 496 O LEU A 812 5.956 3.394 -7.336 1.00 43.41 O ATOM 497 CB LEU A 812 6.258 4.434 -10.576 1.00 25.00 C ATOM 498 CG LEU A 812 6.184 5.505 -11.666 1.00 12.21 C ATOM 499 CD1 LEU A 812 6.897 5.044 -12.938 1.00 61.41 C ATOM 500 CD2 LEU A 812 4.734 5.912 -11.937 1.00 31.51 C ATOM 0 H LEU A 812 8.123 5.963 -9.374 1.00 3.24 H new ATOM 0 HA LEU A 812 5.281 5.212 -8.881 1.00 33.52 H new ATOM 0 HB2 LEU A 812 7.143 3.823 -10.754 1.00 25.00 H new ATOM 0 HB3 LEU A 812 5.393 3.779 -10.679 1.00 25.00 H new ATOM 0 HG LEU A 812 6.706 6.392 -11.308 1.00 12.21 H new ATOM 0 HD11 LEU A 812 6.829 5.824 -13.696 1.00 61.41 H new ATOM 0 HD12 LEU A 812 7.945 4.844 -12.716 1.00 61.41 H new ATOM 0 HD13 LEU A 812 6.426 4.134 -13.310 1.00 61.41 H new ATOM 0 HD21 LEU A 812 4.710 6.674 -12.716 1.00 31.51 H new ATOM 0 HD22 LEU A 812 4.167 5.041 -12.264 1.00 31.51 H new ATOM 0 HD23 LEU A 812 4.292 6.311 -11.024 1.00 31.51 H new ATOM 512 N ASN A 813 8.048 3.582 -8.176 1.00 74.23 N ATOM 513 CA ASN A 813 8.618 2.596 -7.274 1.00 61.22 C ATOM 514 C ASN A 813 9.755 3.238 -6.476 1.00 55.32 C ATOM 515 O ASN A 813 10.243 4.309 -6.836 1.00 34.51 O ATOM 516 CB ASN A 813 9.196 1.410 -8.049 1.00 20.23 C ATOM 517 CG ASN A 813 9.076 0.116 -7.240 1.00 42.35 C ATOM 518 OD1 ASN A 813 8.417 0.053 -6.216 1.00 22.14 O ATOM 519 ND2 ASN A 813 9.748 -0.909 -7.757 1.00 43.40 N ATOM 0 H ASN A 813 8.712 3.996 -8.830 1.00 74.23 H new ATOM 0 HA ASN A 813 7.825 2.244 -6.614 1.00 61.22 H new ATOM 0 HB2 ASN A 813 8.671 1.300 -8.998 1.00 20.23 H new ATOM 0 HB3 ASN A 813 10.243 1.600 -8.284 1.00 20.23 H new ATOM 0 HD21 ASN A 813 9.731 -1.817 -7.292 1.00 43.40 H new ATOM 0 HD22 ASN A 813 10.280 -0.787 -8.619 1.00 43.40 H new ATOM 526 N LYS A 814 10.143 2.558 -5.408 1.00 32.22 N ATOM 527 CA LYS A 814 11.213 3.049 -4.556 1.00 33.21 C ATOM 528 C LYS A 814 12.169 1.899 -4.232 1.00 1.30 C ATOM 529 O LYS A 814 12.054 1.268 -3.183 1.00 12.25 O ATOM 530 CB LYS A 814 10.638 3.738 -3.317 1.00 35.12 C ATOM 531 CG LYS A 814 10.450 5.237 -3.560 1.00 60.25 C ATOM 532 CD LYS A 814 10.686 6.035 -2.277 1.00 21.35 C ATOM 533 CE LYS A 814 9.385 6.205 -1.490 1.00 11.30 C ATOM 534 NZ LYS A 814 9.104 4.996 -0.685 1.00 33.32 N ATOM 0 H LYS A 814 9.736 1.671 -5.113 1.00 32.22 H new ATOM 0 HA LYS A 814 11.794 3.811 -5.075 1.00 33.21 H new ATOM 0 HB2 LYS A 814 9.681 3.286 -3.056 1.00 35.12 H new ATOM 0 HB3 LYS A 814 11.305 3.584 -2.469 1.00 35.12 H new ATOM 0 HG2 LYS A 814 11.141 5.573 -4.333 1.00 60.25 H new ATOM 0 HG3 LYS A 814 9.442 5.425 -3.929 1.00 60.25 H new ATOM 0 HD2 LYS A 814 11.425 5.526 -1.659 1.00 21.35 H new ATOM 0 HD3 LYS A 814 11.097 7.014 -2.524 1.00 21.35 H new ATOM 0 HE2 LYS A 814 9.459 7.075 -0.837 1.00 11.30 H new ATOM 0 HE3 LYS A 814 8.559 6.392 -2.177 1.00 11.30 H new ATOM 0 HZ1 LYS A 814 8.329 5.194 -0.021 1.00 33.32 H new ATOM 0 HZ2 LYS A 814 8.829 4.216 -1.315 1.00 33.32 H new ATOM 0 HZ3 LYS A 814 9.956 4.728 -0.153 1.00 33.32 H new ATOM 609 N GLY A 819 19.812 3.545 -3.641 1.00 42.03 N ATOM 610 CA GLY A 819 19.944 3.010 -4.986 1.00 35.22 C ATOM 611 C GLY A 819 19.352 3.971 -6.019 1.00 20.01 C ATOM 612 O GLY A 819 19.928 5.022 -6.296 1.00 25.31 O ATOM 0 HA2 GLY A 819 20.996 2.833 -5.209 1.00 35.22 H new ATOM 0 HA3 GLY A 819 19.439 2.046 -5.049 1.00 35.22 H new ATOM 616 N TRP A 820 18.209 3.577 -6.561 1.00 21.34 N ATOM 617 CA TRP A 820 17.533 4.390 -7.557 1.00 42.10 C ATOM 618 C TRP A 820 16.027 4.283 -7.312 1.00 73.24 C ATOM 619 O TRP A 820 15.584 3.487 -6.486 1.00 34.03 O ATOM 620 CB TRP A 820 17.940 3.974 -8.972 1.00 2.30 C ATOM 621 CG TRP A 820 17.598 2.524 -9.317 1.00 73.40 C ATOM 622 CD1 TRP A 820 16.937 1.631 -8.567 1.00 51.11 C ATOM 623 CD2 TRP A 820 17.928 1.829 -10.539 1.00 13.44 C ATOM 624 NE1 TRP A 820 16.817 0.417 -9.213 1.00 44.30 N ATOM 625 CE2 TRP A 820 17.439 0.542 -10.450 1.00 60.00 C ATOM 626 CE3 TRP A 820 18.616 2.275 -11.681 1.00 23.24 C ATOM 627 CZ2 TRP A 820 17.587 -0.406 -11.470 1.00 14.12 C ATOM 628 CZ3 TRP A 820 18.756 1.315 -12.691 1.00 14.52 C ATOM 629 CH2 TRP A 820 18.270 0.015 -12.617 1.00 55.40 C ATOM 0 H TRP A 820 17.734 2.705 -6.329 1.00 21.34 H new ATOM 0 HA TRP A 820 17.827 5.436 -7.465 1.00 42.10 H new ATOM 0 HB2 TRP A 820 17.449 4.633 -9.689 1.00 2.30 H new ATOM 0 HB3 TRP A 820 19.014 4.121 -9.088 1.00 2.30 H new ATOM 0 HD1 TRP A 820 16.547 1.836 -7.581 1.00 51.11 H new ATOM 0 HE1 TRP A 820 16.357 -0.418 -8.850 1.00 44.30 H new ATOM 0 HE3 TRP A 820 19.006 3.278 -11.772 1.00 23.24 H new ATOM 0 HZ2 TRP A 820 17.195 -1.408 -11.377 1.00 14.12 H new ATOM 0 HZ3 TRP A 820 19.278 1.605 -13.591 1.00 14.52 H new ATOM 0 HH2 TRP A 820 18.419 -0.667 -13.441 1.00 55.40 H new ATOM 640 N TRP A 821 15.281 5.095 -8.046 1.00 51.44 N ATOM 641 CA TRP A 821 13.833 5.102 -7.919 1.00 64.25 C ATOM 642 C TRP A 821 13.235 4.976 -9.322 1.00 63.01 C ATOM 643 O TRP A 821 13.718 5.601 -10.265 1.00 65.42 O ATOM 644 CB TRP A 821 13.354 6.349 -7.175 1.00 11.32 C ATOM 645 CG TRP A 821 13.482 6.253 -5.653 1.00 54.32 C ATOM 646 CD1 TRP A 821 13.670 5.155 -4.909 1.00 5.23 C ATOM 647 CD2 TRP A 821 13.422 7.348 -4.715 1.00 31.04 C ATOM 648 NE1 TRP A 821 13.736 5.461 -3.564 1.00 64.45 N ATOM 649 CE2 TRP A 821 13.581 6.837 -3.443 1.00 34.52 C ATOM 650 CE3 TRP A 821 13.240 8.725 -4.933 1.00 71.11 C ATOM 651 CZ2 TRP A 821 13.573 7.631 -2.290 1.00 41.44 C ATOM 652 CZ3 TRP A 821 13.235 9.506 -3.771 1.00 71.20 C ATOM 653 CH2 TRP A 821 13.393 9.006 -2.484 1.00 2.23 C ATOM 0 H TRP A 821 15.652 5.753 -8.731 1.00 51.44 H new ATOM 0 HA TRP A 821 13.494 4.257 -7.319 1.00 64.25 H new ATOM 0 HB2 TRP A 821 13.925 7.209 -7.524 1.00 11.32 H new ATOM 0 HB3 TRP A 821 12.311 6.534 -7.431 1.00 11.32 H new ATOM 0 HD1 TRP A 821 13.759 4.156 -5.310 1.00 5.23 H new ATOM 0 HE1 TRP A 821 13.873 4.799 -2.800 1.00 64.45 H new ATOM 0 HE3 TRP A 821 13.114 9.147 -5.919 1.00 71.11 H new ATOM 0 HZ2 TRP A 821 13.699 7.206 -1.305 1.00 41.44 H new ATOM 0 HZ3 TRP A 821 13.099 10.572 -3.883 1.00 71.20 H new ATOM 0 HH2 TRP A 821 13.377 9.675 -1.637 1.00 2.23 H new ATOM 664 N ARG A 822 12.193 4.164 -9.415 1.00 55.03 N ATOM 665 CA ARG A 822 11.523 3.948 -10.687 1.00 3.31 C ATOM 666 C ARG A 822 10.452 5.017 -10.911 1.00 12.11 C ATOM 667 O ARG A 822 9.588 5.223 -10.060 1.00 32.01 O ATOM 668 CB ARG A 822 10.872 2.565 -10.739 1.00 24.41 C ATOM 669 CG ARG A 822 10.851 2.022 -12.169 1.00 44.03 C ATOM 670 CD ARG A 822 9.647 1.104 -12.390 1.00 3.01 C ATOM 671 NE ARG A 822 9.925 0.162 -13.497 1.00 50.44 N ATOM 672 CZ ARG A 822 9.188 -0.938 -13.758 1.00 31.33 C ATOM 673 NH1 ARG A 822 8.120 -1.245 -12.991 1.00 24.25 N ATOM 674 NH2 ARG A 822 9.527 -1.710 -14.774 1.00 11.04 N ATOM 0 H ARG A 822 11.796 3.647 -8.631 1.00 55.03 H new ATOM 0 HA ARG A 822 12.275 4.012 -11.473 1.00 3.31 H new ATOM 0 HB2 ARG A 822 11.418 1.878 -10.093 1.00 24.41 H new ATOM 0 HB3 ARG A 822 9.854 2.624 -10.354 1.00 24.41 H new ATOM 0 HG2 ARG A 822 10.815 2.851 -12.876 1.00 44.03 H new ATOM 0 HG3 ARG A 822 11.772 1.474 -12.367 1.00 44.03 H new ATOM 0 HD2 ARG A 822 9.429 0.550 -11.477 1.00 3.01 H new ATOM 0 HD3 ARG A 822 8.763 1.699 -12.621 1.00 3.01 H new ATOM 0 HE ARG A 822 10.724 0.356 -14.101 1.00 50.44 H new ATOM 0 HH11 ARG A 822 7.865 -0.644 -12.208 1.00 24.25 H new ATOM 0 HH12 ARG A 822 7.568 -2.078 -13.195 1.00 24.25 H new ATOM 0 HH21 ARG A 822 10.336 -1.471 -15.348 1.00 11.04 H new ATOM 0 HH22 ARG A 822 8.980 -2.545 -14.985 1.00 11.04 H new ATOM 687 N GLY A 823 10.543 5.669 -12.061 1.00 0.24 N ATOM 688 CA GLY A 823 9.592 6.712 -12.407 1.00 61.23 C ATOM 689 C GLY A 823 9.309 6.718 -13.911 1.00 32.31 C ATOM 690 O GLY A 823 9.540 5.721 -14.594 1.00 33.04 O ATOM 0 H GLY A 823 11.260 5.495 -12.765 1.00 0.24 H new ATOM 0 HA2 GLY A 823 8.662 6.558 -11.859 1.00 61.23 H new ATOM 0 HA3 GLY A 823 9.984 7.682 -12.103 1.00 61.23 H new ATOM 694 N GLU A 824 8.813 7.852 -14.383 1.00 14.04 N ATOM 695 CA GLU A 824 8.495 8.001 -15.793 1.00 24.12 C ATOM 696 C GLU A 824 8.224 9.470 -16.124 1.00 32.24 C ATOM 697 O GLU A 824 7.733 10.219 -15.281 1.00 13.04 O ATOM 698 CB GLU A 824 7.305 7.122 -16.183 1.00 24.11 C ATOM 699 CG GLU A 824 6.653 7.624 -17.473 1.00 33.44 C ATOM 700 CD GLU A 824 5.632 8.724 -17.178 1.00 55.30 C ATOM 701 OE1 GLU A 824 5.877 9.898 -17.493 1.00 3.22 O ATOM 702 OE2 GLU A 824 4.549 8.324 -16.602 1.00 22.25 O ATOM 0 H GLU A 824 8.623 8.677 -13.814 1.00 14.04 H new ATOM 0 HA GLU A 824 9.355 7.670 -16.376 1.00 24.12 H new ATOM 0 HB2 GLU A 824 7.637 6.092 -16.316 1.00 24.11 H new ATOM 0 HB3 GLU A 824 6.571 7.119 -15.377 1.00 24.11 H new ATOM 0 HG2 GLU A 824 7.419 8.005 -18.148 1.00 33.44 H new ATOM 0 HG3 GLU A 824 6.163 6.795 -17.984 1.00 33.44 H new ATOM 710 N ILE A 825 8.555 9.838 -17.353 1.00 21.45 N ATOM 711 CA ILE A 825 8.353 11.204 -17.805 1.00 70.51 C ATOM 712 C ILE A 825 7.801 11.187 -19.232 1.00 10.11 C ATOM 713 O ILE A 825 8.393 10.580 -20.123 1.00 52.43 O ATOM 714 CB ILE A 825 9.642 12.014 -17.653 1.00 55.45 C ATOM 715 CG1 ILE A 825 9.839 12.464 -16.204 1.00 51.55 C ATOM 716 CG2 ILE A 825 9.665 13.193 -18.628 1.00 43.42 C ATOM 717 CD1 ILE A 825 10.834 13.624 -16.121 1.00 61.51 C ATOM 0 H ILE A 825 8.962 9.214 -18.050 1.00 21.45 H new ATOM 0 HA ILE A 825 7.613 11.707 -17.183 1.00 70.51 H new ATOM 0 HB ILE A 825 10.484 11.369 -17.907 1.00 55.45 H new ATOM 0 HG12 ILE A 825 8.882 12.770 -15.781 1.00 51.55 H new ATOM 0 HG13 ILE A 825 10.199 11.627 -15.605 1.00 51.55 H new ATOM 0 HG21 ILE A 825 10.591 13.753 -18.500 1.00 43.42 H new ATOM 0 HG22 ILE A 825 9.604 12.821 -19.651 1.00 43.42 H new ATOM 0 HG23 ILE A 825 8.816 13.846 -18.429 1.00 43.42 H new ATOM 0 HD11 ILE A 825 10.956 13.925 -15.080 1.00 61.51 H new ATOM 0 HD12 ILE A 825 11.797 13.307 -16.522 1.00 61.51 H new ATOM 0 HD13 ILE A 825 10.459 14.467 -16.701 1.00 61.51 H new ATOM 729 N TYR A 826 6.673 11.861 -19.404 1.00 22.22 N ATOM 730 CA TYR A 826 6.035 11.931 -20.707 1.00 53.32 C ATOM 731 C TYR A 826 5.639 10.538 -21.200 1.00 21.10 C ATOM 732 O TYR A 826 5.416 10.338 -22.393 1.00 23.40 O ATOM 733 CB TYR A 826 7.080 12.518 -21.658 1.00 24.42 C ATOM 734 CG TYR A 826 7.809 13.743 -21.102 1.00 72.13 C ATOM 735 CD1 TYR A 826 7.217 14.511 -20.121 1.00 10.35 C ATOM 736 CD2 TYR A 826 9.058 14.080 -21.583 1.00 71.10 C ATOM 737 CE1 TYR A 826 7.903 15.665 -19.598 1.00 34.43 C ATOM 738 CE2 TYR A 826 9.744 15.233 -21.060 1.00 54.32 C ATOM 739 CZ TYR A 826 9.132 15.969 -20.093 1.00 60.34 C ATOM 740 OH TYR A 826 9.780 17.058 -19.600 1.00 34.04 O ATOM 0 H TYR A 826 6.185 12.363 -18.662 1.00 22.22 H new ATOM 0 HA TYR A 826 5.129 12.535 -20.658 1.00 53.32 H new ATOM 0 HB2 TYR A 826 7.814 11.748 -21.895 1.00 24.42 H new ATOM 0 HB3 TYR A 826 6.592 12.792 -22.593 1.00 24.42 H new ATOM 0 HD1 TYR A 826 6.239 14.247 -19.745 1.00 10.35 H new ATOM 0 HD2 TYR A 826 9.521 13.479 -22.352 1.00 71.10 H new ATOM 0 HE1 TYR A 826 7.451 16.275 -18.830 1.00 34.43 H new ATOM 0 HE2 TYR A 826 10.722 15.507 -21.427 1.00 54.32 H new ATOM 0 HH TYR A 826 10.623 16.778 -19.187 1.00 34.04 H new ATOM 750 N GLY A 827 5.564 9.611 -20.257 1.00 32.25 N ATOM 751 CA GLY A 827 5.199 8.242 -20.580 1.00 32.12 C ATOM 752 C GLY A 827 6.442 7.359 -20.711 1.00 51.51 C ATOM 753 O GLY A 827 6.333 6.139 -20.819 1.00 55.11 O ATOM 0 H GLY A 827 5.750 9.781 -19.269 1.00 32.25 H new ATOM 0 HA2 GLY A 827 4.546 7.843 -19.804 1.00 32.12 H new ATOM 0 HA3 GLY A 827 4.635 8.223 -21.513 1.00 32.12 H new ATOM 757 N ARG A 828 7.595 8.011 -20.697 1.00 43.34 N ATOM 758 CA ARG A 828 8.858 7.301 -20.814 1.00 14.24 C ATOM 759 C ARG A 828 9.277 6.738 -19.454 1.00 72.23 C ATOM 760 O ARG A 828 9.524 7.492 -18.515 1.00 14.51 O ATOM 761 CB ARG A 828 9.961 8.222 -21.339 1.00 21.14 C ATOM 762 CG ARG A 828 9.748 8.544 -22.819 1.00 42.01 C ATOM 763 CD ARG A 828 8.950 9.838 -22.989 1.00 50.23 C ATOM 764 NE ARG A 828 8.802 10.156 -24.427 1.00 40.21 N ATOM 765 CZ ARG A 828 9.716 10.838 -25.149 1.00 42.34 C ATOM 766 NH1 ARG A 828 10.854 11.280 -24.573 1.00 12.54 N ATOM 767 NH2 ARG A 828 9.481 11.066 -26.428 1.00 52.40 N ATOM 0 H ARG A 828 7.682 9.023 -20.606 1.00 43.34 H new ATOM 0 HA ARG A 828 8.716 6.484 -21.522 1.00 14.24 H new ATOM 0 HB2 ARG A 828 9.974 9.146 -20.760 1.00 21.14 H new ATOM 0 HB3 ARG A 828 10.932 7.746 -21.203 1.00 21.14 H new ATOM 0 HG2 ARG A 828 10.713 8.640 -23.317 1.00 42.01 H new ATOM 0 HG3 ARG A 828 9.221 7.721 -23.302 1.00 42.01 H new ATOM 0 HD2 ARG A 828 7.968 9.732 -22.528 1.00 50.23 H new ATOM 0 HD3 ARG A 828 9.456 10.657 -22.477 1.00 50.23 H new ATOM 0 HE ARG A 828 7.956 9.840 -24.902 1.00 40.21 H new ATOM 0 HH11 ARG A 828 11.029 11.099 -23.584 1.00 12.54 H new ATOM 0 HH12 ARG A 828 11.539 11.795 -25.126 1.00 12.54 H new ATOM 0 HH21 ARG A 828 8.619 10.728 -26.856 1.00 52.40 H new ATOM 0 HH22 ARG A 828 10.161 11.580 -26.988 1.00 52.40 H new ATOM 780 N ILE A 829 9.344 5.416 -19.393 1.00 3.03 N ATOM 781 CA ILE A 829 9.729 4.743 -18.164 1.00 24.30 C ATOM 782 C ILE A 829 11.253 4.616 -18.113 1.00 3.32 C ATOM 783 O ILE A 829 11.917 4.639 -19.148 1.00 52.33 O ATOM 784 CB ILE A 829 8.997 3.406 -18.033 1.00 74.02 C ATOM 785 CG1 ILE A 829 7.480 3.605 -18.076 1.00 42.51 C ATOM 786 CG2 ILE A 829 9.441 2.658 -16.775 1.00 20.13 C ATOM 787 CD1 ILE A 829 6.917 3.830 -16.671 1.00 51.35 C ATOM 0 H ILE A 829 9.138 4.793 -20.174 1.00 3.03 H new ATOM 0 HA ILE A 829 9.428 5.332 -17.297 1.00 24.30 H new ATOM 0 HB ILE A 829 9.265 2.785 -18.888 1.00 74.02 H new ATOM 0 HG12 ILE A 829 7.239 4.459 -18.709 1.00 42.51 H new ATOM 0 HG13 ILE A 829 7.008 2.732 -18.526 1.00 42.51 H new ATOM 0 HG21 ILE A 829 8.905 1.711 -16.706 1.00 20.13 H new ATOM 0 HG22 ILE A 829 10.513 2.466 -16.825 1.00 20.13 H new ATOM 0 HG23 ILE A 829 9.222 3.263 -15.895 1.00 20.13 H new ATOM 0 HD11 ILE A 829 5.837 3.969 -16.730 1.00 51.35 H new ATOM 0 HD12 ILE A 829 7.138 2.964 -16.047 1.00 51.35 H new ATOM 0 HD13 ILE A 829 7.374 4.718 -16.234 1.00 51.35 H new ATOM 799 N GLY A 830 11.764 4.485 -16.897 1.00 53.42 N ATOM 800 CA GLY A 830 13.197 4.355 -16.697 1.00 41.34 C ATOM 801 C GLY A 830 13.545 4.348 -15.207 1.00 74.14 C ATOM 802 O GLY A 830 12.669 4.168 -14.363 1.00 34.01 O ATOM 0 H GLY A 830 11.211 4.466 -16.040 1.00 53.42 H new ATOM 0 HA2 GLY A 830 13.550 3.434 -17.161 1.00 41.34 H new ATOM 0 HA3 GLY A 830 13.713 5.179 -17.191 1.00 41.34 H new ATOM 806 N TRP A 831 14.825 4.546 -14.930 1.00 70.31 N ATOM 807 CA TRP A 831 15.299 4.564 -13.557 1.00 1.13 C ATOM 808 C TRP A 831 16.179 5.803 -13.377 1.00 21.32 C ATOM 809 O TRP A 831 16.526 6.469 -14.351 1.00 12.11 O ATOM 810 CB TRP A 831 16.022 3.261 -13.209 1.00 1.52 C ATOM 811 CG TRP A 831 15.146 2.013 -13.329 1.00 24.44 C ATOM 812 CD1 TRP A 831 14.675 1.439 -14.444 1.00 51.43 C ATOM 813 CD2 TRP A 831 14.654 1.200 -12.242 1.00 14.50 C ATOM 814 NE1 TRP A 831 13.917 0.322 -14.158 1.00 3.03 N ATOM 815 CE2 TRP A 831 13.904 0.172 -12.776 1.00 1.12 C ATOM 816 CE3 TRP A 831 14.835 1.331 -10.854 1.00 24.41 C ATOM 817 CZ2 TRP A 831 13.277 -0.805 -11.994 1.00 74.10 C ATOM 818 CZ3 TRP A 831 14.202 0.346 -10.086 1.00 73.03 C ATOM 819 CH2 TRP A 831 13.444 -0.696 -10.608 1.00 53.54 C ATOM 0 H TRP A 831 15.549 4.695 -15.633 1.00 70.31 H new ATOM 0 HA TRP A 831 14.463 4.627 -12.861 1.00 1.13 H new ATOM 0 HB2 TRP A 831 16.886 3.151 -13.864 1.00 1.52 H new ATOM 0 HB3 TRP A 831 16.402 3.329 -12.190 1.00 1.52 H new ATOM 0 HD1 TRP A 831 14.865 1.805 -15.442 1.00 51.43 H new ATOM 0 HE1 TRP A 831 13.452 -0.282 -14.836 1.00 3.03 H new ATOM 0 HE3 TRP A 831 15.416 2.128 -10.415 1.00 24.41 H new ATOM 0 HZ2 TRP A 831 12.695 -1.600 -12.436 1.00 74.10 H new ATOM 0 HZ3 TRP A 831 14.310 0.400 -9.013 1.00 73.03 H new ATOM 0 HH2 TRP A 831 12.986 -1.418 -9.948 1.00 53.54 H new ATOM 830 N PHE A 832 16.515 6.074 -12.124 1.00 63.43 N ATOM 831 CA PHE A 832 17.348 7.220 -11.804 1.00 43.42 C ATOM 832 C PHE A 832 17.679 7.258 -10.311 1.00 0.22 C ATOM 833 O PHE A 832 16.915 6.754 -9.489 1.00 61.02 O ATOM 834 CB PHE A 832 16.546 8.471 -12.169 1.00 4.33 C ATOM 835 CG PHE A 832 15.230 8.612 -11.402 1.00 32.40 C ATOM 836 CD1 PHE A 832 14.143 7.885 -11.778 1.00 41.41 C ATOM 837 CD2 PHE A 832 15.146 9.463 -10.344 1.00 61.44 C ATOM 838 CE1 PHE A 832 12.921 8.016 -11.067 1.00 22.34 C ATOM 839 CE2 PHE A 832 13.924 9.593 -9.633 1.00 21.11 C ATOM 840 CZ PHE A 832 12.837 8.867 -10.009 1.00 64.31 C ATOM 0 H PHE A 832 16.225 5.519 -11.319 1.00 63.43 H new ATOM 0 HA PHE A 832 18.287 7.163 -12.355 1.00 43.42 H new ATOM 0 HB2 PHE A 832 17.160 9.352 -11.981 1.00 4.33 H new ATOM 0 HB3 PHE A 832 16.332 8.454 -13.238 1.00 4.33 H new ATOM 0 HD1 PHE A 832 14.210 7.208 -12.617 1.00 41.41 H new ATOM 0 HD2 PHE A 832 16.009 10.040 -10.045 1.00 61.44 H new ATOM 0 HE1 PHE A 832 12.058 7.440 -11.366 1.00 22.34 H new ATOM 0 HE2 PHE A 832 13.858 10.269 -8.793 1.00 21.11 H new ATOM 0 HZ PHE A 832 11.908 8.966 -9.468 1.00 64.31 H new ATOM 850 N PRO A 833 18.849 7.877 -9.997 1.00 32.33 N ATOM 851 CA PRO A 833 19.290 7.987 -8.617 1.00 20.13 C ATOM 852 C PRO A 833 18.486 9.051 -7.867 1.00 51.12 C ATOM 853 O PRO A 833 18.079 10.054 -8.453 1.00 30.55 O ATOM 854 CB PRO A 833 20.772 8.313 -8.702 1.00 41.14 C ATOM 855 CG PRO A 833 21.004 8.830 -10.113 1.00 1.52 C ATOM 856 CD PRO A 833 19.779 8.485 -10.943 1.00 51.33 C ATOM 0 HA PRO A 833 19.129 7.070 -8.050 1.00 20.13 H new ATOM 0 HB2 PRO A 833 21.050 9.062 -7.961 1.00 41.14 H new ATOM 0 HB3 PRO A 833 21.378 7.429 -8.505 1.00 41.14 H new ATOM 0 HG2 PRO A 833 21.167 9.908 -10.103 1.00 1.52 H new ATOM 0 HG3 PRO A 833 21.897 8.377 -10.544 1.00 1.52 H new ATOM 0 HD2 PRO A 833 19.350 9.375 -11.404 1.00 51.33 H new ATOM 0 HD3 PRO A 833 20.029 7.797 -11.750 1.00 51.33 H new ATOM 864 N SER A 834 18.281 8.797 -6.583 1.00 71.12 N ATOM 865 CA SER A 834 17.533 9.721 -5.747 1.00 71.34 C ATOM 866 C SER A 834 18.443 10.860 -5.282 1.00 75.34 C ATOM 867 O SER A 834 18.024 11.715 -4.504 1.00 32.13 O ATOM 868 CB SER A 834 16.923 9.003 -4.542 1.00 60.40 C ATOM 869 OG SER A 834 17.872 8.817 -3.495 1.00 13.42 O ATOM 0 H SER A 834 18.620 7.964 -6.101 1.00 71.12 H new ATOM 0 HA SER A 834 16.717 10.135 -6.340 1.00 71.34 H new ATOM 0 HB2 SER A 834 16.077 9.579 -4.167 1.00 60.40 H new ATOM 0 HB3 SER A 834 16.535 8.034 -4.856 1.00 60.40 H new ATOM 0 HG SER A 834 17.444 8.357 -2.743 1.00 13.42 H new ATOM 875 N ASN A 835 19.670 10.834 -5.779 1.00 44.15 N ATOM 876 CA ASN A 835 20.643 11.854 -5.425 1.00 32.23 C ATOM 877 C ASN A 835 20.679 12.921 -6.520 1.00 53.32 C ATOM 878 O ASN A 835 21.312 13.963 -6.356 1.00 71.04 O ATOM 879 CB ASN A 835 22.046 11.257 -5.300 1.00 10.11 C ATOM 880 CG ASN A 835 22.315 10.784 -3.870 1.00 64.11 C ATOM 881 OD1 ASN A 835 22.109 11.498 -2.903 1.00 11.21 O ATOM 882 ND2 ASN A 835 22.787 9.543 -3.791 1.00 21.11 N ATOM 0 H ASN A 835 20.013 10.123 -6.424 1.00 44.15 H new ATOM 0 HA ASN A 835 20.347 12.284 -4.468 1.00 32.23 H new ATOM 0 HB2 ASN A 835 22.152 10.420 -5.990 1.00 10.11 H new ATOM 0 HB3 ASN A 835 22.789 12.002 -5.586 1.00 10.11 H new ATOM 0 HD21 ASN A 835 22.999 9.135 -2.881 1.00 21.11 H new ATOM 0 HD22 ASN A 835 22.937 8.999 -4.641 1.00 21.11 H new ATOM 889 N TYR A 836 19.991 12.625 -7.613 1.00 40.13 N ATOM 890 CA TYR A 836 19.936 13.546 -8.736 1.00 3.44 C ATOM 891 C TYR A 836 18.545 14.171 -8.865 1.00 64.21 C ATOM 892 O TYR A 836 18.352 15.110 -9.635 1.00 41.23 O ATOM 893 CB TYR A 836 20.224 12.709 -9.983 1.00 64.11 C ATOM 894 CG TYR A 836 21.714 12.480 -10.248 1.00 74.53 C ATOM 895 CD1 TYR A 836 22.522 11.973 -9.251 1.00 61.20 C ATOM 896 CD2 TYR A 836 22.249 12.779 -11.485 1.00 15.34 C ATOM 897 CE1 TYR A 836 23.924 11.757 -9.501 1.00 32.14 C ATOM 898 CE2 TYR A 836 23.650 12.563 -11.734 1.00 42.42 C ATOM 899 CZ TYR A 836 24.419 12.063 -10.730 1.00 34.21 C ATOM 900 OH TYR A 836 25.742 11.859 -10.966 1.00 24.14 O ATOM 0 H TYR A 836 19.467 11.760 -7.745 1.00 40.13 H new ATOM 0 HA TYR A 836 20.652 14.357 -8.603 1.00 3.44 H new ATOM 0 HB2 TYR A 836 19.731 11.742 -9.881 1.00 64.11 H new ATOM 0 HB3 TYR A 836 19.783 13.202 -10.849 1.00 64.11 H new ATOM 0 HD1 TYR A 836 22.103 11.738 -8.284 1.00 61.20 H new ATOM 0 HD2 TYR A 836 21.616 13.175 -12.266 1.00 15.34 H new ATOM 0 HE1 TYR A 836 24.568 11.361 -8.730 1.00 32.14 H new ATOM 0 HE2 TYR A 836 24.081 12.793 -12.697 1.00 42.42 H new ATOM 0 HH TYR A 836 25.954 12.121 -11.886 1.00 24.14 H new ATOM 910 N VAL A 837 17.613 13.624 -8.100 1.00 34.33 N ATOM 911 CA VAL A 837 16.245 14.115 -8.119 1.00 43.32 C ATOM 912 C VAL A 837 15.880 14.649 -6.733 1.00 21.15 C ATOM 913 O VAL A 837 16.629 14.462 -5.775 1.00 11.53 O ATOM 914 CB VAL A 837 15.300 13.014 -8.604 1.00 42.21 C ATOM 915 CG1 VAL A 837 15.588 12.647 -10.061 1.00 52.12 C ATOM 916 CG2 VAL A 837 15.385 11.782 -7.701 1.00 70.01 C ATOM 0 H VAL A 837 17.778 12.845 -7.462 1.00 34.33 H new ATOM 0 HA VAL A 837 16.146 14.942 -8.822 1.00 43.32 H new ATOM 0 HB VAL A 837 14.282 13.399 -8.551 1.00 42.21 H new ATOM 0 HG11 VAL A 837 14.902 11.862 -10.381 1.00 52.12 H new ATOM 0 HG12 VAL A 837 15.453 13.526 -10.691 1.00 52.12 H new ATOM 0 HG13 VAL A 837 16.614 12.291 -10.150 1.00 52.12 H new ATOM 0 HG21 VAL A 837 14.704 11.014 -8.068 1.00 70.01 H new ATOM 0 HG22 VAL A 837 16.404 11.396 -7.708 1.00 70.01 H new ATOM 0 HG23 VAL A 837 15.108 12.057 -6.683 1.00 70.01 H new ATOM 926 N GLU A 838 14.729 15.302 -6.669 1.00 41.23 N ATOM 927 CA GLU A 838 14.255 15.864 -5.416 1.00 4.11 C ATOM 928 C GLU A 838 12.731 15.764 -5.332 1.00 10.12 C ATOM 929 O GLU A 838 12.024 16.238 -6.220 1.00 64.22 O ATOM 930 CB GLU A 838 14.719 17.313 -5.254 1.00 45.05 C ATOM 931 CG GLU A 838 16.246 17.407 -5.292 1.00 1.21 C ATOM 932 CD GLU A 838 16.721 18.792 -4.846 1.00 21.54 C ATOM 933 OE1 GLU A 838 15.914 19.730 -4.772 1.00 31.13 O ATOM 934 OE2 GLU A 838 17.978 18.874 -4.569 1.00 64.41 O ATOM 0 H GLU A 838 14.110 15.454 -7.465 1.00 41.23 H new ATOM 0 HA GLU A 838 14.683 15.286 -4.597 1.00 4.11 H new ATOM 0 HB2 GLU A 838 14.293 17.926 -6.049 1.00 45.05 H new ATOM 0 HB3 GLU A 838 14.350 17.714 -4.310 1.00 45.05 H new ATOM 0 HG2 GLU A 838 16.677 16.644 -4.644 1.00 1.21 H new ATOM 0 HG3 GLU A 838 16.601 17.204 -6.302 1.00 1.21 H new ATOM 942 N GLU A 839 12.269 15.144 -4.256 1.00 11.53 N ATOM 943 CA GLU A 839 10.841 14.976 -4.044 1.00 42.31 C ATOM 944 C GLU A 839 10.386 15.784 -2.827 1.00 23.32 C ATOM 945 O GLU A 839 11.210 16.346 -2.107 1.00 43.13 O ATOM 946 CB GLU A 839 10.481 13.498 -3.887 1.00 73.33 C ATOM 947 CG GLU A 839 11.497 12.777 -2.999 1.00 35.22 C ATOM 948 CD GLU A 839 11.648 13.486 -1.652 1.00 13.42 C ATOM 949 OE1 GLU A 839 12.644 14.191 -1.431 1.00 31.15 O ATOM 950 OE2 GLU A 839 10.683 13.286 -0.819 1.00 2.32 O ATOM 0 H GLU A 839 12.858 14.752 -3.522 1.00 11.53 H new ATOM 0 HA GLU A 839 10.316 15.353 -4.922 1.00 42.31 H new ATOM 0 HB2 GLU A 839 9.485 13.407 -3.454 1.00 73.33 H new ATOM 0 HB3 GLU A 839 10.447 13.022 -4.867 1.00 73.33 H new ATOM 0 HG2 GLU A 839 11.179 11.747 -2.838 1.00 35.22 H new ATOM 0 HG3 GLU A 839 12.462 12.737 -3.503 1.00 35.22 H new ATOM 958 N ASP A 840 9.076 15.815 -2.634 1.00 11.24 N ATOM 959 CA ASP A 840 8.502 16.544 -1.516 1.00 14.53 C ATOM 960 C ASP A 840 9.248 17.868 -1.338 1.00 42.02 C ATOM 961 O ASP A 840 9.547 18.270 -0.215 1.00 1.41 O ATOM 962 CB ASP A 840 8.632 15.750 -0.215 1.00 12.03 C ATOM 963 CG ASP A 840 7.840 16.312 0.968 1.00 62.20 C ATOM 964 OD1 ASP A 840 8.326 16.335 2.108 1.00 5.34 O ATOM 965 OD2 ASP A 840 6.660 16.744 0.678 1.00 71.00 O ATOM 0 H ASP A 840 8.396 15.347 -3.233 1.00 11.24 H new ATOM 0 HA ASP A 840 7.447 16.714 -1.731 1.00 14.53 H new ATOM 0 HB2 ASP A 840 8.306 14.726 -0.398 1.00 12.03 H new ATOM 0 HB3 ASP A 840 9.685 15.704 0.061 1.00 12.03 H new ATOM 971 N TYR A 841 9.528 18.508 -2.464 1.00 0.42 N ATOM 972 CA TYR A 841 10.234 19.778 -2.447 1.00 1.22 C ATOM 973 C TYR A 841 9.253 20.952 -2.495 1.00 64.41 C ATOM 974 O TYR A 841 9.467 21.972 -1.842 1.00 24.53 O ATOM 975 CB TYR A 841 11.097 19.798 -3.710 1.00 70.10 C ATOM 976 CG TYR A 841 10.320 19.521 -4.999 1.00 10.44 C ATOM 977 CD1 TYR A 841 9.728 20.563 -5.684 1.00 75.42 C ATOM 978 CD2 TYR A 841 10.211 18.231 -5.476 1.00 24.04 C ATOM 979 CE1 TYR A 841 8.996 20.302 -6.897 1.00 42.41 C ATOM 980 CE2 TYR A 841 9.480 17.971 -6.688 1.00 61.25 C ATOM 981 CZ TYR A 841 8.909 19.019 -7.339 1.00 54.34 C ATOM 982 OH TYR A 841 8.218 18.774 -8.485 1.00 31.41 O ATOM 0 H TYR A 841 9.279 18.171 -3.394 1.00 0.42 H new ATOM 0 HA TYR A 841 10.824 19.877 -1.536 1.00 1.22 H new ATOM 0 HB2 TYR A 841 11.581 20.771 -3.792 1.00 70.10 H new ATOM 0 HB3 TYR A 841 11.889 19.056 -3.608 1.00 70.10 H new ATOM 0 HD1 TYR A 841 9.814 21.573 -5.311 1.00 75.42 H new ATOM 0 HD2 TYR A 841 10.674 17.416 -4.940 1.00 24.04 H new ATOM 0 HE1 TYR A 841 8.527 21.107 -7.443 1.00 42.41 H new ATOM 0 HE2 TYR A 841 9.387 16.966 -7.072 1.00 61.25 H new ATOM 0 HH TYR A 841 8.181 19.591 -9.026 1.00 31.41 H new