USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 536 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 113:sc= 0.285 USER MOD Set 1.2: A 841 TYR OH : rot 10:sc= -2.99! USER MOD Single : A 783 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 810 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 813 ASN : amide:sc= -5.54! C(o=-5.5!,f=-20!) USER MOD Single : A 814 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 815 LYS NZ :NH3+ -138:sc= -3.76! (180deg=-6.05!) USER MOD Single : A 817 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 818 GLN : amide:sc= -0.293 K(o=-0.29,f=-3!) USER MOD Single : A 826 TYR OH : rot 155:sc= 0.415 USER MOD Single : A 834 SER OG : rot 180:sc= 0 USER MOD Single : A 835 ASN : amide:sc= -0.0547 K(o=-0.055,f=-1.7!) USER MOD Single : A 836 TYR OH : rot 180:sc= 0 USER MOD Single : A 842 SER OG : rot -62:sc= 0.315 USER MOD Single : A 844 TYR OH : rot 180:sc= 0 USER MOD Single : A 848 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 780 -7.990 8.944 -8.755 1.00 51.03 N ATOM 2 CA GLY A 780 -8.132 10.233 -8.100 1.00 43.32 C ATOM 3 C GLY A 780 -7.048 10.431 -7.038 1.00 72.32 C ATOM 4 O GLY A 780 -6.139 11.239 -7.217 1.00 4.21 O ATOM 0 HA2 GLY A 780 -8.070 11.030 -8.841 1.00 43.32 H new ATOM 0 HA3 GLY A 780 -9.116 10.303 -7.637 1.00 43.32 H new ATOM 8 N PRO A 781 -7.185 9.658 -5.927 1.00 43.32 N ATOM 9 CA PRO A 781 -6.228 9.740 -4.836 1.00 54.34 C ATOM 10 C PRO A 781 -4.917 9.042 -5.203 1.00 13.11 C ATOM 11 O PRO A 781 -4.912 8.096 -5.989 1.00 33.12 O ATOM 12 CB PRO A 781 -6.930 9.101 -3.649 1.00 51.22 C ATOM 13 CG PRO A 781 -8.063 8.272 -4.232 1.00 31.14 C ATOM 14 CD PRO A 781 -8.249 8.690 -5.681 1.00 72.20 C ATOM 0 HA PRO A 781 -5.939 10.765 -4.606 1.00 54.34 H new ATOM 0 HB2 PRO A 781 -6.243 8.476 -3.078 1.00 51.22 H new ATOM 0 HB3 PRO A 781 -7.312 9.860 -2.966 1.00 51.22 H new ATOM 0 HG2 PRO A 781 -7.830 7.209 -4.168 1.00 31.14 H new ATOM 0 HG3 PRO A 781 -8.982 8.431 -3.668 1.00 31.14 H new ATOM 0 HD2 PRO A 781 -8.170 7.835 -6.353 1.00 72.20 H new ATOM 0 HD3 PRO A 781 -9.232 9.132 -5.842 1.00 72.20 H new ATOM 22 N GLY A 782 -3.837 9.536 -4.616 1.00 21.10 N ATOM 23 CA GLY A 782 -2.523 8.971 -4.871 1.00 4.22 C ATOM 24 C GLY A 782 -1.615 9.121 -3.648 1.00 41.32 C ATOM 25 O GLY A 782 -2.042 9.627 -2.612 1.00 34.35 O ATOM 0 H GLY A 782 -3.845 10.321 -3.965 1.00 21.10 H new ATOM 0 HA2 GLY A 782 -2.620 7.916 -5.129 1.00 4.22 H new ATOM 0 HA3 GLY A 782 -2.069 9.468 -5.728 1.00 4.22 H new ATOM 29 N THR A 783 -0.379 8.673 -3.810 1.00 63.12 N ATOM 30 CA THR A 783 0.593 8.751 -2.733 1.00 11.04 C ATOM 31 C THR A 783 1.821 9.548 -3.178 1.00 75.03 C ATOM 32 O THR A 783 2.058 10.652 -2.692 1.00 3.43 O ATOM 33 CB THR A 783 0.923 7.324 -2.289 1.00 52.42 C ATOM 34 OG1 THR A 783 -0.346 6.680 -2.221 1.00 72.35 O ATOM 35 CG2 THR A 783 1.448 7.264 -0.853 1.00 43.24 C ATOM 0 H THR A 783 -0.028 8.254 -4.671 1.00 63.12 H new ATOM 0 HA THR A 783 0.189 9.289 -1.875 1.00 11.04 H new ATOM 0 HB THR A 783 1.664 6.896 -2.964 1.00 52.42 H new ATOM 0 HG1 THR A 783 -0.226 5.748 -1.942 1.00 72.35 H new ATOM 0 HG21 THR A 783 1.667 6.229 -0.588 1.00 43.24 H new ATOM 0 HG22 THR A 783 2.358 7.859 -0.773 1.00 43.24 H new ATOM 0 HG23 THR A 783 0.694 7.661 -0.173 1.00 43.24 H new ATOM 43 N PHE A 784 2.568 8.957 -4.099 1.00 31.33 N ATOM 44 CA PHE A 784 3.765 9.598 -4.616 1.00 22.35 C ATOM 45 C PHE A 784 3.410 10.688 -5.629 1.00 33.24 C ATOM 46 O PHE A 784 2.258 10.802 -6.044 1.00 53.31 O ATOM 47 CB PHE A 784 4.585 8.514 -5.317 1.00 64.44 C ATOM 48 CG PHE A 784 5.095 7.415 -4.382 1.00 2.41 C ATOM 49 CD1 PHE A 784 5.777 7.747 -3.253 1.00 25.51 C ATOM 50 CD2 PHE A 784 4.866 6.108 -4.679 1.00 40.32 C ATOM 51 CE1 PHE A 784 6.251 6.727 -2.385 1.00 14.42 C ATOM 52 CE2 PHE A 784 5.339 5.089 -3.811 1.00 42.10 C ATOM 53 CZ PHE A 784 6.022 5.420 -2.682 1.00 54.21 C ATOM 0 H PHE A 784 2.367 8.041 -4.501 1.00 31.33 H new ATOM 0 HA PHE A 784 4.319 10.064 -3.801 1.00 22.35 H new ATOM 0 HB2 PHE A 784 3.974 8.059 -6.097 1.00 64.44 H new ATOM 0 HB3 PHE A 784 5.437 8.980 -5.811 1.00 64.44 H new ATOM 0 HD1 PHE A 784 5.958 8.785 -3.017 1.00 25.51 H new ATOM 0 HD2 PHE A 784 4.324 5.845 -5.575 1.00 40.32 H new ATOM 0 HE1 PHE A 784 6.793 6.990 -1.489 1.00 14.42 H new ATOM 0 HE2 PHE A 784 5.157 4.051 -4.047 1.00 42.10 H new ATOM 0 HZ PHE A 784 6.382 4.645 -2.022 1.00 54.21 H new ATOM 63 N GLY A 785 4.421 11.461 -5.997 1.00 74.10 N ATOM 64 CA GLY A 785 4.229 12.538 -6.954 1.00 23.14 C ATOM 65 C GLY A 785 5.250 12.449 -8.090 1.00 53.42 C ATOM 66 O GLY A 785 5.238 11.496 -8.867 1.00 74.03 O ATOM 0 H GLY A 785 5.375 11.363 -5.650 1.00 74.10 H new ATOM 0 HA2 GLY A 785 3.220 12.491 -7.363 1.00 23.14 H new ATOM 0 HA3 GLY A 785 4.324 13.499 -6.449 1.00 23.14 H new ATOM 70 N THR A 786 6.109 13.456 -8.151 1.00 54.43 N ATOM 71 CA THR A 786 7.134 13.504 -9.180 1.00 12.31 C ATOM 72 C THR A 786 8.489 13.861 -8.566 1.00 11.11 C ATOM 73 O THR A 786 8.571 14.194 -7.385 1.00 20.35 O ATOM 74 CB THR A 786 6.677 14.490 -10.257 1.00 74.54 C ATOM 75 OG1 THR A 786 6.081 15.555 -9.523 1.00 54.40 O ATOM 76 CG2 THR A 786 5.531 13.937 -11.108 1.00 41.00 C ATOM 0 H THR A 786 6.116 14.245 -7.505 1.00 54.43 H new ATOM 0 HA THR A 786 7.271 12.529 -9.648 1.00 12.31 H new ATOM 0 HB THR A 786 7.520 14.740 -10.901 1.00 74.54 H new ATOM 0 HG1 THR A 786 6.628 16.363 -9.617 1.00 54.40 H new ATOM 0 HG21 THR A 786 5.245 14.676 -11.857 1.00 41.00 H new ATOM 0 HG22 THR A 786 5.855 13.023 -11.605 1.00 41.00 H new ATOM 0 HG23 THR A 786 4.676 13.718 -10.469 1.00 41.00 H new ATOM 84 N ALA A 787 9.518 13.780 -9.396 1.00 24.31 N ATOM 85 CA ALA A 787 10.866 14.090 -8.949 1.00 70.25 C ATOM 86 C ALA A 787 11.552 14.977 -9.990 1.00 70.35 C ATOM 87 O ALA A 787 11.931 14.504 -11.061 1.00 0.00 O ATOM 88 CB ALA A 787 11.632 12.790 -8.696 1.00 33.25 C ATOM 0 H ALA A 787 9.446 13.504 -10.375 1.00 24.31 H new ATOM 0 HA ALA A 787 10.841 14.642 -8.009 1.00 70.25 H new ATOM 0 HB1 ALA A 787 12.643 13.023 -8.361 1.00 33.25 H new ATOM 0 HB2 ALA A 787 11.120 12.209 -7.929 1.00 33.25 H new ATOM 0 HB3 ALA A 787 11.680 12.211 -9.618 1.00 33.25 H new ATOM 94 N LYS A 788 11.691 16.247 -9.640 1.00 32.21 N ATOM 95 CA LYS A 788 12.325 17.204 -10.531 1.00 15.14 C ATOM 96 C LYS A 788 13.813 16.873 -10.652 1.00 4.44 C ATOM 97 O LYS A 788 14.529 16.842 -9.652 1.00 22.23 O ATOM 98 CB LYS A 788 12.048 18.635 -10.064 1.00 23.34 C ATOM 99 CG LYS A 788 11.910 19.584 -11.256 1.00 34.51 C ATOM 100 CD LYS A 788 10.942 20.725 -10.938 1.00 42.52 C ATOM 101 CE LYS A 788 11.381 22.022 -11.622 1.00 2.04 C ATOM 102 NZ LYS A 788 10.445 23.122 -11.297 1.00 23.40 N ATOM 0 H LYS A 788 11.375 16.636 -8.751 1.00 32.21 H new ATOM 0 HA LYS A 788 11.900 17.132 -11.532 1.00 15.14 H new ATOM 0 HB2 LYS A 788 11.135 18.657 -9.470 1.00 23.34 H new ATOM 0 HB3 LYS A 788 12.857 18.973 -9.417 1.00 23.34 H new ATOM 0 HG2 LYS A 788 12.887 19.992 -11.515 1.00 34.51 H new ATOM 0 HG3 LYS A 788 11.554 19.032 -12.126 1.00 34.51 H new ATOM 0 HD2 LYS A 788 9.938 20.458 -11.267 1.00 42.52 H new ATOM 0 HD3 LYS A 788 10.894 20.876 -9.860 1.00 42.52 H new ATOM 0 HE2 LYS A 788 12.388 22.287 -11.300 1.00 2.04 H new ATOM 0 HE3 LYS A 788 11.419 21.876 -12.702 1.00 2.04 H new ATOM 0 HZ1 LYS A 788 10.757 23.994 -11.769 1.00 23.40 H new ATOM 0 HZ2 LYS A 788 9.490 22.874 -11.625 1.00 23.40 H new ATOM 0 HZ3 LYS A 788 10.429 23.272 -10.268 1.00 23.40 H new ATOM 115 N ALA A 789 14.236 16.635 -11.885 1.00 13.34 N ATOM 116 CA ALA A 789 15.626 16.308 -12.149 1.00 45.23 C ATOM 117 C ALA A 789 16.484 17.562 -11.967 1.00 64.20 C ATOM 118 O ALA A 789 16.189 18.609 -12.540 1.00 51.31 O ATOM 119 CB ALA A 789 15.753 15.714 -13.554 1.00 10.24 C ATOM 0 H ALA A 789 13.640 16.662 -12.712 1.00 13.34 H new ATOM 0 HA ALA A 789 15.984 15.558 -11.444 1.00 45.23 H new ATOM 0 HB1 ALA A 789 16.796 15.469 -13.752 1.00 10.24 H new ATOM 0 HB2 ALA A 789 15.148 14.810 -13.623 1.00 10.24 H new ATOM 0 HB3 ALA A 789 15.405 16.440 -14.289 1.00 10.24 H new ATOM 125 N ARG A 790 17.530 17.413 -11.167 1.00 12.32 N ATOM 126 CA ARG A 790 18.433 18.521 -10.902 1.00 33.42 C ATOM 127 C ARG A 790 19.666 18.427 -11.803 1.00 11.15 C ATOM 128 O ARG A 790 20.513 19.319 -11.796 1.00 54.43 O ATOM 129 CB ARG A 790 18.878 18.530 -9.438 1.00 62.31 C ATOM 130 CG ARG A 790 17.680 18.692 -8.501 1.00 75.12 C ATOM 131 CD ARG A 790 17.366 20.170 -8.262 1.00 45.43 C ATOM 132 NE ARG A 790 18.260 20.714 -7.215 1.00 51.11 N ATOM 133 CZ ARG A 790 18.443 22.032 -6.986 1.00 20.22 C ATOM 134 NH1 ARG A 790 17.795 22.953 -7.730 1.00 12.34 N ATOM 135 NH2 ARG A 790 19.266 22.406 -6.023 1.00 75.25 N ATOM 0 H ARG A 790 17.772 16.542 -10.694 1.00 12.32 H new ATOM 0 HA ARG A 790 17.895 19.446 -11.112 1.00 33.42 H new ATOM 0 HB2 ARG A 790 19.401 17.602 -9.208 1.00 62.31 H new ATOM 0 HB3 ARG A 790 19.585 19.343 -9.274 1.00 62.31 H new ATOM 0 HG2 ARG A 790 16.809 18.196 -8.930 1.00 75.12 H new ATOM 0 HG3 ARG A 790 17.889 18.203 -7.550 1.00 75.12 H new ATOM 0 HD2 ARG A 790 17.492 20.732 -9.188 1.00 45.43 H new ATOM 0 HD3 ARG A 790 16.325 20.285 -7.959 1.00 45.43 H new ATOM 0 HE ARG A 790 18.770 20.052 -6.630 1.00 51.11 H new ATOM 0 HH11 ARG A 790 17.161 22.655 -8.472 1.00 12.34 H new ATOM 0 HH12 ARG A 790 17.939 23.947 -7.550 1.00 12.34 H new ATOM 0 HH21 ARG A 790 19.752 21.703 -5.466 1.00 75.25 H new ATOM 0 HH22 ARG A 790 19.416 23.398 -5.837 1.00 75.25 H new ATOM 148 N TYR A 791 19.728 17.339 -12.556 1.00 21.13 N ATOM 149 CA TYR A 791 20.844 17.117 -13.460 1.00 13.30 C ATOM 150 C TYR A 791 20.437 16.206 -14.620 1.00 32.14 C ATOM 151 O TYR A 791 19.878 15.131 -14.403 1.00 45.50 O ATOM 152 CB TYR A 791 21.925 16.419 -12.633 1.00 34.41 C ATOM 153 CG TYR A 791 22.201 17.082 -11.282 1.00 50.34 C ATOM 154 CD1 TYR A 791 23.129 18.100 -11.191 1.00 33.15 C ATOM 155 CD2 TYR A 791 21.522 16.663 -10.156 1.00 4.42 C ATOM 156 CE1 TYR A 791 23.389 18.725 -9.919 1.00 72.54 C ATOM 157 CE2 TYR A 791 21.782 17.288 -8.885 1.00 5.13 C ATOM 158 CZ TYR A 791 22.703 18.288 -8.829 1.00 71.22 C ATOM 159 OH TYR A 791 22.949 18.878 -7.629 1.00 35.33 O ATOM 0 H TYR A 791 19.024 16.601 -12.559 1.00 21.13 H new ATOM 0 HA TYR A 791 21.187 18.060 -13.885 1.00 13.30 H new ATOM 0 HB2 TYR A 791 21.627 15.384 -12.464 1.00 34.41 H new ATOM 0 HB3 TYR A 791 22.850 16.394 -13.210 1.00 34.41 H new ATOM 0 HD1 TYR A 791 23.660 18.428 -12.073 1.00 33.15 H new ATOM 0 HD2 TYR A 791 20.796 15.867 -10.228 1.00 4.42 H new ATOM 0 HE1 TYR A 791 24.112 19.522 -9.833 1.00 72.54 H new ATOM 0 HE2 TYR A 791 21.258 16.970 -7.996 1.00 5.13 H new ATOM 0 HH TYR A 791 22.387 18.466 -6.940 1.00 35.33 H new ATOM 169 N ASP A 792 20.732 16.668 -15.826 1.00 4.35 N ATOM 170 CA ASP A 792 20.404 15.908 -17.020 1.00 4.23 C ATOM 171 C ASP A 792 21.195 14.598 -17.019 1.00 4.54 C ATOM 172 O ASP A 792 22.423 14.611 -16.948 1.00 24.11 O ATOM 173 CB ASP A 792 20.775 16.684 -18.285 1.00 64.53 C ATOM 174 CG ASP A 792 22.255 17.055 -18.406 1.00 13.24 C ATOM 175 OD1 ASP A 792 22.828 17.692 -17.509 1.00 41.14 O ATOM 176 OD2 ASP A 792 22.830 16.658 -19.490 1.00 23.24 O ATOM 0 H ASP A 792 21.195 17.560 -16.002 1.00 4.35 H new ATOM 0 HA ASP A 792 19.331 15.718 -17.015 1.00 4.23 H new ATOM 0 HB2 ASP A 792 20.493 16.089 -19.154 1.00 64.53 H new ATOM 0 HB3 ASP A 792 20.183 17.598 -18.319 1.00 64.53 H new ATOM 182 N PHE A 793 20.459 13.500 -17.098 1.00 23.31 N ATOM 183 CA PHE A 793 21.077 12.184 -17.107 1.00 53.40 C ATOM 184 C PHE A 793 20.916 11.513 -18.472 1.00 73.52 C ATOM 185 O PHE A 793 19.802 11.190 -18.882 1.00 15.12 O ATOM 186 CB PHE A 793 20.356 11.345 -16.050 1.00 70.25 C ATOM 187 CG PHE A 793 21.234 10.273 -15.402 1.00 5.02 C ATOM 188 CD1 PHE A 793 22.512 10.568 -15.039 1.00 54.44 C ATOM 189 CD2 PHE A 793 20.738 9.025 -15.188 1.00 2.03 C ATOM 190 CE1 PHE A 793 23.327 9.574 -14.437 1.00 72.23 C ATOM 191 CE2 PHE A 793 21.553 8.030 -14.586 1.00 4.53 C ATOM 192 CZ PHE A 793 22.831 8.326 -14.223 1.00 75.22 C ATOM 0 H PHE A 793 19.441 13.494 -17.156 1.00 23.31 H new ATOM 0 HA PHE A 793 22.143 12.271 -16.899 1.00 53.40 H new ATOM 0 HB2 PHE A 793 19.976 12.007 -15.272 1.00 70.25 H new ATOM 0 HB3 PHE A 793 19.493 10.864 -16.510 1.00 70.25 H new ATOM 0 HD1 PHE A 793 22.906 11.559 -15.209 1.00 54.44 H new ATOM 0 HD2 PHE A 793 19.724 8.790 -15.476 1.00 2.03 H new ATOM 0 HE1 PHE A 793 24.341 9.809 -14.149 1.00 72.23 H new ATOM 0 HE2 PHE A 793 21.159 7.039 -14.416 1.00 4.53 H new ATOM 0 HZ PHE A 793 23.451 7.570 -13.765 1.00 75.22 H new ATOM 202 N CYS A 794 22.045 11.321 -19.139 1.00 14.32 N ATOM 203 CA CYS A 794 22.043 10.694 -20.449 1.00 72.33 C ATOM 204 C CYS A 794 21.938 9.180 -20.257 1.00 20.54 C ATOM 205 O CYS A 794 22.746 8.583 -19.546 1.00 13.32 O ATOM 206 CB CYS A 794 23.279 11.081 -21.264 1.00 14.22 C ATOM 207 SG CYS A 794 23.067 12.760 -21.962 1.00 21.44 S ATOM 0 H CYS A 794 22.967 11.589 -18.796 1.00 14.32 H new ATOM 0 HA CYS A 794 21.186 11.047 -21.022 1.00 72.33 H new ATOM 0 HB2 CYS A 794 24.166 11.050 -20.632 1.00 14.22 H new ATOM 0 HB3 CYS A 794 23.435 10.361 -22.067 1.00 14.22 H new ATOM 0 HG CYS A 794 24.122 13.080 -22.650 1.00 21.44 H new ATOM 213 N ALA A 795 20.936 8.601 -20.902 1.00 62.12 N ATOM 214 CA ALA A 795 20.715 7.168 -20.811 1.00 24.42 C ATOM 215 C ALA A 795 21.559 6.457 -21.871 1.00 51.34 C ATOM 216 O ALA A 795 21.678 6.936 -22.998 1.00 41.41 O ATOM 217 CB ALA A 795 19.222 6.871 -20.959 1.00 32.54 C ATOM 0 H ALA A 795 20.268 9.099 -21.490 1.00 62.12 H new ATOM 0 HA ALA A 795 21.027 6.793 -19.836 1.00 24.42 H new ATOM 0 HB1 ALA A 795 19.056 5.796 -20.891 1.00 32.54 H new ATOM 0 HB2 ALA A 795 18.670 7.374 -20.165 1.00 32.54 H new ATOM 0 HB3 ALA A 795 18.874 7.231 -21.927 1.00 32.54 H new ATOM 223 N ARG A 796 22.123 5.326 -21.473 1.00 55.34 N ATOM 224 CA ARG A 796 22.951 4.545 -22.376 1.00 5.23 C ATOM 225 C ARG A 796 22.322 3.173 -22.621 1.00 33.51 C ATOM 226 O ARG A 796 22.767 2.428 -23.493 1.00 53.43 O ATOM 227 CB ARG A 796 24.360 4.358 -21.807 1.00 54.43 C ATOM 228 CG ARG A 796 24.333 4.324 -20.278 1.00 4.31 C ATOM 229 CD ARG A 796 23.609 3.076 -19.770 1.00 25.14 C ATOM 230 NE ARG A 796 24.137 2.691 -18.441 1.00 75.24 N ATOM 231 CZ ARG A 796 24.066 1.443 -17.932 1.00 35.33 C ATOM 232 NH1 ARG A 796 23.488 0.447 -18.637 1.00 32.35 N ATOM 233 NH2 ARG A 796 24.569 1.211 -16.734 1.00 23.11 N ATOM 0 H ARG A 796 22.023 4.932 -20.538 1.00 55.34 H new ATOM 0 HA ARG A 796 23.020 5.090 -23.318 1.00 5.23 H new ATOM 0 HB2 ARG A 796 24.790 3.431 -22.187 1.00 54.43 H new ATOM 0 HB3 ARG A 796 25.003 5.170 -22.145 1.00 54.43 H new ATOM 0 HG2 ARG A 796 25.352 4.340 -19.892 1.00 4.31 H new ATOM 0 HG3 ARG A 796 23.835 5.217 -19.900 1.00 4.31 H new ATOM 0 HD2 ARG A 796 22.538 3.268 -19.703 1.00 25.14 H new ATOM 0 HD3 ARG A 796 23.742 2.256 -20.475 1.00 25.14 H new ATOM 0 HE ARG A 796 24.582 3.414 -17.875 1.00 75.24 H new ATOM 0 HH11 ARG A 796 23.101 0.635 -19.562 1.00 32.35 H new ATOM 0 HH12 ARG A 796 23.439 -0.493 -18.245 1.00 32.35 H new ATOM 0 HH21 ARG A 796 25.003 1.969 -16.208 1.00 23.11 H new ATOM 0 HH22 ARG A 796 24.524 0.274 -16.335 1.00 23.11 H new ATOM 246 N ASP A 797 21.296 2.879 -21.835 1.00 71.35 N ATOM 247 CA ASP A 797 20.601 1.609 -21.956 1.00 75.44 C ATOM 248 C ASP A 797 19.169 1.764 -21.438 1.00 44.31 C ATOM 249 O ASP A 797 18.847 2.754 -20.782 1.00 62.32 O ATOM 250 CB ASP A 797 21.288 0.523 -21.126 1.00 64.04 C ATOM 251 CG ASP A 797 20.736 -0.890 -21.325 1.00 13.15 C ATOM 252 OD1 ASP A 797 19.888 -1.359 -20.550 1.00 43.31 O ATOM 253 OD2 ASP A 797 21.217 -1.526 -22.338 1.00 22.50 O ATOM 0 H ASP A 797 20.930 3.499 -21.112 1.00 71.35 H new ATOM 0 HA ASP A 797 20.610 1.320 -23.007 1.00 75.44 H new ATOM 0 HB2 ASP A 797 22.351 0.519 -21.369 1.00 64.04 H new ATOM 0 HB3 ASP A 797 21.203 0.785 -20.071 1.00 64.04 H new ATOM 259 N ARG A 798 18.349 0.772 -21.752 1.00 42.41 N ATOM 260 CA ARG A 798 16.960 0.787 -21.326 1.00 70.33 C ATOM 261 C ARG A 798 16.871 0.697 -19.802 1.00 2.35 C ATOM 262 O ARG A 798 15.813 0.937 -19.223 1.00 34.12 O ATOM 263 CB ARG A 798 16.182 -0.377 -21.945 1.00 4.22 C ATOM 264 CG ARG A 798 16.731 -1.721 -21.461 1.00 55.04 C ATOM 265 CD ARG A 798 15.634 -2.788 -21.448 1.00 54.42 C ATOM 266 NE ARG A 798 15.517 -3.410 -22.786 1.00 13.01 N ATOM 267 CZ ARG A 798 16.451 -4.219 -23.329 1.00 4.24 C ATOM 268 NH1 ARG A 798 17.582 -4.510 -22.651 1.00 21.50 N ATOM 269 NH2 ARG A 798 16.243 -4.720 -24.532 1.00 24.22 N ATOM 0 H ARG A 798 18.620 -0.047 -22.296 1.00 42.41 H new ATOM 0 HA ARG A 798 16.520 1.725 -21.664 1.00 70.33 H new ATOM 0 HB2 ARG A 798 15.127 -0.295 -21.682 1.00 4.22 H new ATOM 0 HB3 ARG A 798 16.245 -0.324 -23.032 1.00 4.22 H new ATOM 0 HG2 ARG A 798 17.546 -2.040 -22.110 1.00 55.04 H new ATOM 0 HG3 ARG A 798 17.146 -1.609 -20.460 1.00 55.04 H new ATOM 0 HD2 ARG A 798 15.865 -3.549 -20.703 1.00 54.42 H new ATOM 0 HD3 ARG A 798 14.683 -2.340 -21.162 1.00 54.42 H new ATOM 0 HE ARG A 798 14.678 -3.215 -23.332 1.00 13.01 H new ATOM 0 HH11 ARG A 798 17.735 -4.118 -21.722 1.00 21.50 H new ATOM 0 HH12 ARG A 798 18.283 -5.122 -23.068 1.00 21.50 H new ATOM 0 HH21 ARG A 798 15.386 -4.494 -25.037 1.00 24.22 H new ATOM 0 HH22 ARG A 798 16.939 -5.333 -24.956 1.00 24.22 H new ATOM 282 N SER A 799 17.997 0.352 -19.194 1.00 71.34 N ATOM 283 CA SER A 799 18.059 0.228 -17.748 1.00 25.40 C ATOM 284 C SER A 799 18.299 1.600 -17.115 1.00 35.11 C ATOM 285 O SER A 799 18.525 1.701 -15.910 1.00 71.21 O ATOM 286 CB SER A 799 19.158 -0.750 -17.326 1.00 70.11 C ATOM 287 OG SER A 799 20.459 -0.255 -17.632 1.00 21.54 O ATOM 0 H SER A 799 18.873 0.155 -19.677 1.00 71.34 H new ATOM 0 HA SER A 799 17.105 -0.165 -17.397 1.00 25.40 H new ATOM 0 HB2 SER A 799 19.084 -0.938 -16.255 1.00 70.11 H new ATOM 0 HB3 SER A 799 19.006 -1.705 -17.829 1.00 70.11 H new ATOM 0 HG SER A 799 21.133 -0.907 -17.346 1.00 21.54 H new ATOM 293 N GLU A 800 18.240 2.622 -17.956 1.00 0.13 N ATOM 294 CA GLU A 800 18.447 3.984 -17.494 1.00 3.14 C ATOM 295 C GLU A 800 17.294 4.880 -17.949 1.00 0.41 C ATOM 296 O GLU A 800 16.656 4.609 -18.965 1.00 42.21 O ATOM 297 CB GLU A 800 19.791 4.530 -17.981 1.00 21.23 C ATOM 298 CG GLU A 800 20.066 5.915 -17.392 1.00 50.24 C ATOM 299 CD GLU A 800 21.561 6.240 -17.430 1.00 33.15 C ATOM 300 OE1 GLU A 800 22.394 5.322 -17.440 1.00 24.01 O ATOM 301 OE2 GLU A 800 21.845 7.498 -17.449 1.00 60.00 O ATOM 0 H GLU A 800 18.052 2.534 -18.955 1.00 0.13 H new ATOM 0 HA GLU A 800 18.468 3.978 -16.404 1.00 3.14 H new ATOM 0 HB2 GLU A 800 20.590 3.845 -17.697 1.00 21.23 H new ATOM 0 HB3 GLU A 800 19.791 4.587 -19.070 1.00 21.23 H new ATOM 0 HG2 GLU A 800 19.512 6.669 -17.952 1.00 50.24 H new ATOM 0 HG3 GLU A 800 19.708 5.954 -16.363 1.00 50.24 H new ATOM 309 N LEU A 801 17.061 5.930 -17.175 1.00 4.23 N ATOM 310 CA LEU A 801 15.996 6.868 -17.486 1.00 0.02 C ATOM 311 C LEU A 801 16.606 8.175 -17.996 1.00 50.03 C ATOM 312 O LEU A 801 17.569 8.681 -17.422 1.00 33.02 O ATOM 313 CB LEU A 801 15.073 7.050 -16.279 1.00 42.20 C ATOM 314 CG LEU A 801 13.584 7.209 -16.592 1.00 11.05 C ATOM 315 CD1 LEU A 801 12.759 7.287 -15.305 1.00 42.53 C ATOM 316 CD2 LEU A 801 13.340 8.414 -17.503 1.00 23.41 C ATOM 0 H LEU A 801 17.592 6.152 -16.333 1.00 4.23 H new ATOM 0 HA LEU A 801 15.365 6.477 -18.285 1.00 0.02 H new ATOM 0 HB2 LEU A 801 15.196 6.191 -15.620 1.00 42.20 H new ATOM 0 HB3 LEU A 801 15.403 7.928 -15.723 1.00 42.20 H new ATOM 0 HG LEU A 801 13.253 6.324 -17.135 1.00 11.05 H new ATOM 0 HD11 LEU A 801 11.704 7.400 -15.555 1.00 42.53 H new ATOM 0 HD12 LEU A 801 12.899 6.374 -14.727 1.00 42.53 H new ATOM 0 HD13 LEU A 801 13.085 8.143 -14.715 1.00 42.53 H new ATOM 0 HD21 LEU A 801 12.274 8.504 -17.710 1.00 23.41 H new ATOM 0 HD22 LEU A 801 13.692 9.320 -17.010 1.00 23.41 H new ATOM 0 HD23 LEU A 801 13.881 8.278 -18.439 1.00 23.41 H new ATOM 328 N SER A 802 16.020 8.684 -19.070 1.00 44.32 N ATOM 329 CA SER A 802 16.494 9.923 -19.665 1.00 22.44 C ATOM 330 C SER A 802 15.981 11.119 -18.861 1.00 35.11 C ATOM 331 O SER A 802 14.803 11.466 -18.941 1.00 21.30 O ATOM 332 CB SER A 802 16.054 10.036 -21.125 1.00 52.14 C ATOM 333 OG SER A 802 16.992 10.766 -21.911 1.00 4.22 O ATOM 0 H SER A 802 15.222 8.261 -19.544 1.00 44.32 H new ATOM 0 HA SER A 802 17.584 9.919 -19.642 1.00 22.44 H new ATOM 0 HB2 SER A 802 15.929 9.038 -21.544 1.00 52.14 H new ATOM 0 HB3 SER A 802 15.082 10.526 -21.174 1.00 52.14 H new ATOM 0 HG SER A 802 16.675 10.814 -22.837 1.00 4.22 H new ATOM 339 N LEU A 803 16.889 11.717 -18.105 1.00 21.04 N ATOM 340 CA LEU A 803 16.543 12.867 -17.287 1.00 12.20 C ATOM 341 C LEU A 803 16.931 14.149 -18.027 1.00 24.13 C ATOM 342 O LEU A 803 17.733 14.113 -18.959 1.00 75.14 O ATOM 343 CB LEU A 803 17.170 12.745 -15.897 1.00 44.00 C ATOM 344 CG LEU A 803 16.330 12.021 -14.843 1.00 65.41 C ATOM 345 CD1 LEU A 803 15.531 10.877 -15.470 1.00 61.04 C ATOM 346 CD2 LEU A 803 17.203 11.540 -13.682 1.00 1.43 C ATOM 0 H LEU A 803 17.865 11.427 -18.041 1.00 21.04 H new ATOM 0 HA LEU A 803 15.466 12.907 -17.122 1.00 12.20 H new ATOM 0 HB2 LEU A 803 18.122 12.224 -15.994 1.00 44.00 H new ATOM 0 HB3 LEU A 803 17.391 13.748 -15.531 1.00 44.00 H new ATOM 0 HG LEU A 803 15.611 12.730 -14.433 1.00 65.41 H new ATOM 0 HD11 LEU A 803 14.943 10.379 -14.699 1.00 61.04 H new ATOM 0 HD12 LEU A 803 14.864 11.275 -16.235 1.00 61.04 H new ATOM 0 HD13 LEU A 803 16.216 10.160 -15.923 1.00 61.04 H new ATOM 0 HD21 LEU A 803 16.581 11.029 -12.947 1.00 1.43 H new ATOM 0 HD22 LEU A 803 17.961 10.852 -14.057 1.00 1.43 H new ATOM 0 HD23 LEU A 803 17.689 12.396 -13.214 1.00 1.43 H new ATOM 358 N LYS A 804 16.345 15.251 -17.583 1.00 5.12 N ATOM 359 CA LYS A 804 16.620 16.542 -18.191 1.00 64.20 C ATOM 360 C LYS A 804 16.278 17.653 -17.196 1.00 63.22 C ATOM 361 O LYS A 804 15.108 17.880 -16.892 1.00 24.44 O ATOM 362 CB LYS A 804 15.891 16.669 -19.530 1.00 1.30 C ATOM 363 CG LYS A 804 16.692 17.528 -20.511 1.00 60.20 C ATOM 364 CD LYS A 804 16.270 18.996 -20.426 1.00 0.02 C ATOM 365 CE LYS A 804 17.025 19.844 -21.452 1.00 34.22 C ATOM 366 NZ LYS A 804 16.794 21.285 -21.204 1.00 32.42 N ATOM 0 H LYS A 804 15.681 15.277 -16.809 1.00 5.12 H new ATOM 0 HA LYS A 804 17.681 16.637 -18.422 1.00 64.20 H new ATOM 0 HB2 LYS A 804 15.730 15.679 -19.956 1.00 1.30 H new ATOM 0 HB3 LYS A 804 14.908 17.112 -19.372 1.00 1.30 H new ATOM 0 HG2 LYS A 804 17.756 17.439 -20.293 1.00 60.20 H new ATOM 0 HG3 LYS A 804 16.543 17.161 -21.527 1.00 60.20 H new ATOM 0 HD2 LYS A 804 15.197 19.080 -20.598 1.00 0.02 H new ATOM 0 HD3 LYS A 804 16.462 19.376 -19.423 1.00 0.02 H new ATOM 0 HE2 LYS A 804 18.092 19.626 -21.398 1.00 34.22 H new ATOM 0 HE3 LYS A 804 16.697 19.585 -22.459 1.00 34.22 H new ATOM 0 HZ1 LYS A 804 17.313 21.846 -21.909 1.00 32.42 H new ATOM 0 HZ2 LYS A 804 15.777 21.491 -21.278 1.00 32.42 H new ATOM 0 HZ3 LYS A 804 17.129 21.531 -20.251 1.00 32.42 H new ATOM 379 N GLU A 805 17.321 18.316 -16.717 1.00 74.13 N ATOM 380 CA GLU A 805 17.145 19.398 -15.763 1.00 63.32 C ATOM 381 C GLU A 805 15.911 20.228 -16.123 1.00 24.22 C ATOM 382 O GLU A 805 15.717 20.587 -17.283 1.00 72.41 O ATOM 383 CB GLU A 805 18.396 20.276 -15.694 1.00 40.13 C ATOM 384 CG GLU A 805 19.445 19.665 -14.763 1.00 33.11 C ATOM 385 CD GLU A 805 20.859 20.052 -15.200 1.00 52.14 C ATOM 386 OE1 GLU A 805 21.182 19.973 -16.395 1.00 73.10 O ATOM 387 OE2 GLU A 805 21.635 20.448 -14.249 1.00 13.21 O ATOM 0 H GLU A 805 18.290 18.125 -16.972 1.00 74.13 H new ATOM 0 HA GLU A 805 16.991 18.964 -14.775 1.00 63.32 H new ATOM 0 HB2 GLU A 805 18.816 20.395 -16.693 1.00 40.13 H new ATOM 0 HB3 GLU A 805 18.127 21.271 -15.341 1.00 40.13 H new ATOM 0 HG2 GLU A 805 19.271 20.003 -13.742 1.00 33.11 H new ATOM 0 HG3 GLU A 805 19.346 18.580 -14.760 1.00 33.11 H new ATOM 395 N GLY A 806 15.110 20.509 -15.106 1.00 31.10 N ATOM 396 CA GLY A 806 13.900 21.290 -15.300 1.00 42.13 C ATOM 397 C GLY A 806 12.706 20.384 -15.606 1.00 15.24 C ATOM 398 O GLY A 806 11.582 20.862 -15.757 1.00 2.15 O ATOM 0 H GLY A 806 15.275 20.210 -14.145 1.00 31.10 H new ATOM 0 HA2 GLY A 806 13.695 21.878 -14.405 1.00 42.13 H new ATOM 0 HA3 GLY A 806 14.045 21.995 -16.118 1.00 42.13 H new ATOM 402 N ASP A 807 12.989 19.093 -15.687 1.00 72.43 N ATOM 403 CA ASP A 807 11.952 18.115 -15.972 1.00 14.52 C ATOM 404 C ASP A 807 11.517 17.445 -14.667 1.00 62.31 C ATOM 405 O ASP A 807 12.198 17.559 -13.649 1.00 43.33 O ATOM 406 CB ASP A 807 12.465 17.026 -16.915 1.00 41.13 C ATOM 407 CG ASP A 807 12.773 17.496 -18.339 1.00 31.44 C ATOM 408 OD1 ASP A 807 12.993 18.691 -18.583 1.00 51.21 O ATOM 409 OD2 ASP A 807 12.782 16.563 -19.230 1.00 52.42 O ATOM 0 H ASP A 807 13.922 18.701 -15.560 1.00 72.43 H new ATOM 0 HA ASP A 807 11.118 18.635 -16.443 1.00 14.52 H new ATOM 0 HB2 ASP A 807 13.369 16.593 -16.488 1.00 41.13 H new ATOM 0 HB3 ASP A 807 11.723 16.229 -16.964 1.00 41.13 H new ATOM 415 N ILE A 808 10.386 16.759 -14.740 1.00 12.24 N ATOM 416 CA ILE A 808 9.852 16.070 -13.577 1.00 4.01 C ATOM 417 C ILE A 808 9.814 14.566 -13.854 1.00 63.21 C ATOM 418 O ILE A 808 9.501 14.144 -14.966 1.00 34.40 O ATOM 419 CB ILE A 808 8.496 16.657 -13.182 1.00 11.14 C ATOM 420 CG1 ILE A 808 7.758 17.204 -14.405 1.00 11.50 C ATOM 421 CG2 ILE A 808 8.654 17.714 -12.087 1.00 41.40 C ATOM 422 CD1 ILE A 808 8.255 18.607 -14.763 1.00 35.41 C ATOM 0 H ILE A 808 9.824 16.665 -15.586 1.00 12.24 H new ATOM 0 HA ILE A 808 10.501 16.220 -12.714 1.00 4.01 H new ATOM 0 HB ILE A 808 7.884 15.855 -12.769 1.00 11.14 H new ATOM 0 HG12 ILE A 808 7.905 16.535 -15.253 1.00 11.50 H new ATOM 0 HG13 ILE A 808 6.687 17.234 -14.205 1.00 11.50 H new ATOM 0 HG21 ILE A 808 7.675 18.115 -11.825 1.00 41.40 H new ATOM 0 HG22 ILE A 808 9.108 17.260 -11.206 1.00 41.40 H new ATOM 0 HG23 ILE A 808 9.292 18.521 -12.449 1.00 41.40 H new ATOM 0 HD11 ILE A 808 7.714 18.973 -15.636 1.00 35.41 H new ATOM 0 HD12 ILE A 808 8.084 19.279 -13.922 1.00 35.41 H new ATOM 0 HD13 ILE A 808 9.321 18.569 -14.986 1.00 35.41 H new ATOM 434 N ILE A 809 10.138 13.798 -12.824 1.00 1.31 N ATOM 435 CA ILE A 809 10.145 12.350 -12.942 1.00 51.14 C ATOM 436 C ILE A 809 8.933 11.777 -12.205 1.00 25.44 C ATOM 437 O ILE A 809 8.837 11.887 -10.983 1.00 72.43 O ATOM 438 CB ILE A 809 11.482 11.780 -12.466 1.00 21.35 C ATOM 439 CG1 ILE A 809 12.545 11.884 -13.561 1.00 73.35 C ATOM 440 CG2 ILE A 809 11.317 10.345 -11.961 1.00 64.42 C ATOM 441 CD1 ILE A 809 13.154 13.286 -13.603 1.00 1.51 C ATOM 0 H ILE A 809 10.398 14.152 -11.903 1.00 1.31 H new ATOM 0 HA ILE A 809 10.053 12.052 -13.986 1.00 51.14 H new ATOM 0 HB ILE A 809 11.829 12.380 -11.625 1.00 21.35 H new ATOM 0 HG12 ILE A 809 13.329 11.148 -13.382 1.00 73.35 H new ATOM 0 HG13 ILE A 809 12.100 11.648 -14.528 1.00 73.35 H new ATOM 0 HG21 ILE A 809 12.282 9.963 -11.628 1.00 64.42 H new ATOM 0 HG22 ILE A 809 10.615 10.331 -11.128 1.00 64.42 H new ATOM 0 HG23 ILE A 809 10.936 9.717 -12.767 1.00 64.42 H new ATOM 0 HD11 ILE A 809 13.907 13.332 -14.390 1.00 1.51 H new ATOM 0 HD12 ILE A 809 12.371 14.017 -13.806 1.00 1.51 H new ATOM 0 HD13 ILE A 809 13.619 13.510 -12.643 1.00 1.51 H new ATOM 453 N LYS A 810 8.040 11.177 -12.977 1.00 54.11 N ATOM 454 CA LYS A 810 6.838 10.586 -12.412 1.00 43.11 C ATOM 455 C LYS A 810 7.201 9.276 -11.711 1.00 22.41 C ATOM 456 O LYS A 810 7.632 8.321 -12.356 1.00 31.12 O ATOM 457 CB LYS A 810 5.761 10.430 -13.487 1.00 41.44 C ATOM 458 CG LYS A 810 4.608 9.558 -12.986 1.00 63.13 C ATOM 459 CD LYS A 810 4.214 9.938 -11.558 1.00 21.24 C ATOM 460 CE LYS A 810 2.709 9.771 -11.342 1.00 34.04 C ATOM 461 NZ LYS A 810 2.388 9.780 -9.897 1.00 3.03 N ATOM 0 H LYS A 810 8.124 11.087 -13.990 1.00 54.11 H new ATOM 0 HA LYS A 810 6.408 11.244 -11.657 1.00 43.11 H new ATOM 0 HB2 LYS A 810 5.382 11.411 -13.772 1.00 41.44 H new ATOM 0 HB3 LYS A 810 6.197 9.984 -14.381 1.00 41.44 H new ATOM 0 HG2 LYS A 810 3.748 9.671 -13.647 1.00 63.13 H new ATOM 0 HG3 LYS A 810 4.900 8.508 -13.019 1.00 63.13 H new ATOM 0 HD2 LYS A 810 4.758 9.315 -10.849 1.00 21.24 H new ATOM 0 HD3 LYS A 810 4.501 10.971 -11.360 1.00 21.24 H new ATOM 0 HE2 LYS A 810 2.172 10.575 -11.845 1.00 34.04 H new ATOM 0 HE3 LYS A 810 2.373 8.835 -11.789 1.00 34.04 H new ATOM 0 HZ1 LYS A 810 1.362 9.666 -9.769 1.00 3.03 H new ATOM 0 HZ2 LYS A 810 2.885 8.997 -9.426 1.00 3.03 H new ATOM 0 HZ3 LYS A 810 2.690 10.683 -9.480 1.00 3.03 H new ATOM 474 N ILE A 811 7.014 9.272 -10.399 1.00 73.13 N ATOM 475 CA ILE A 811 7.316 8.094 -9.603 1.00 51.35 C ATOM 476 C ILE A 811 6.262 7.018 -9.873 1.00 25.12 C ATOM 477 O ILE A 811 5.075 7.319 -9.978 1.00 14.44 O ATOM 478 CB ILE A 811 7.451 8.467 -8.126 1.00 31.44 C ATOM 479 CG1 ILE A 811 8.366 9.679 -7.947 1.00 44.41 C ATOM 480 CG2 ILE A 811 7.920 7.268 -7.299 1.00 31.32 C ATOM 481 CD1 ILE A 811 9.829 9.248 -7.816 1.00 55.24 C ATOM 0 H ILE A 811 6.657 10.066 -9.867 1.00 73.13 H new ATOM 0 HA ILE A 811 8.280 7.675 -9.891 1.00 51.35 H new ATOM 0 HB ILE A 811 6.466 8.750 -7.754 1.00 31.44 H new ATOM 0 HG12 ILE A 811 8.256 10.351 -8.798 1.00 44.41 H new ATOM 0 HG13 ILE A 811 8.067 10.237 -7.060 1.00 44.41 H new ATOM 0 HG21 ILE A 811 8.008 7.560 -6.252 1.00 31.32 H new ATOM 0 HG22 ILE A 811 7.197 6.458 -7.390 1.00 31.32 H new ATOM 0 HG23 ILE A 811 8.890 6.931 -7.664 1.00 31.32 H new ATOM 0 HD11 ILE A 811 10.458 10.129 -7.690 1.00 55.24 H new ATOM 0 HD12 ILE A 811 9.940 8.596 -6.950 1.00 55.24 H new ATOM 0 HD13 ILE A 811 10.132 8.712 -8.715 1.00 55.24 H new ATOM 493 N LEU A 812 6.736 5.785 -9.977 1.00 72.12 N ATOM 494 CA LEU A 812 5.849 4.662 -10.232 1.00 45.13 C ATOM 495 C LEU A 812 6.178 3.528 -9.260 1.00 34.44 C ATOM 496 O LEU A 812 5.304 3.054 -8.535 1.00 74.12 O ATOM 497 CB LEU A 812 5.918 4.249 -11.704 1.00 14.30 C ATOM 498 CG LEU A 812 6.100 5.386 -12.712 1.00 4.14 C ATOM 499 CD1 LEU A 812 6.860 4.905 -13.950 1.00 33.35 C ATOM 500 CD2 LEU A 812 4.755 6.019 -13.074 1.00 65.13 C ATOM 0 H LEU A 812 7.722 5.539 -9.889 1.00 72.12 H new ATOM 0 HA LEU A 812 4.812 4.946 -10.052 1.00 45.13 H new ATOM 0 HB2 LEU A 812 6.743 3.547 -11.826 1.00 14.30 H new ATOM 0 HB3 LEU A 812 5.003 3.712 -11.953 1.00 14.30 H new ATOM 0 HG LEU A 812 6.705 6.163 -12.245 1.00 4.14 H new ATOM 0 HD11 LEU A 812 6.976 5.732 -14.650 1.00 33.35 H new ATOM 0 HD12 LEU A 812 7.843 4.540 -13.654 1.00 33.35 H new ATOM 0 HD13 LEU A 812 6.303 4.100 -14.429 1.00 33.35 H new ATOM 0 HD21 LEU A 812 4.913 6.824 -13.792 1.00 65.13 H new ATOM 0 HD22 LEU A 812 4.104 5.263 -13.514 1.00 65.13 H new ATOM 0 HD23 LEU A 812 4.288 6.421 -12.175 1.00 65.13 H new ATOM 512 N ASN A 813 7.440 3.125 -9.275 1.00 33.44 N ATOM 513 CA ASN A 813 7.894 2.055 -8.403 1.00 21.42 C ATOM 514 C ASN A 813 8.224 2.631 -7.024 1.00 74.04 C ATOM 515 O ASN A 813 7.450 2.475 -6.081 1.00 72.41 O ATOM 516 CB ASN A 813 9.160 1.395 -8.954 1.00 74.12 C ATOM 517 CG ASN A 813 9.753 0.415 -7.940 1.00 63.14 C ATOM 518 OD1 ASN A 813 9.984 0.739 -6.787 1.00 65.40 O ATOM 519 ND2 ASN A 813 9.986 -0.798 -8.433 1.00 64.22 N ATOM 0 H ASN A 813 8.162 3.520 -9.877 1.00 33.44 H new ATOM 0 HA ASN A 813 7.098 1.313 -8.339 1.00 21.42 H new ATOM 0 HB2 ASN A 813 8.927 0.869 -9.880 1.00 74.12 H new ATOM 0 HB3 ASN A 813 9.896 2.160 -9.199 1.00 74.12 H new ATOM 0 HD21 ASN A 813 10.382 -1.524 -7.836 1.00 64.22 H new ATOM 0 HD22 ASN A 813 9.769 -1.002 -9.408 1.00 64.22 H new ATOM 526 N LYS A 814 9.373 3.285 -6.951 1.00 42.54 N ATOM 527 CA LYS A 814 9.815 3.886 -5.704 1.00 34.00 C ATOM 528 C LYS A 814 10.173 2.780 -4.709 1.00 72.03 C ATOM 529 O LYS A 814 9.512 2.625 -3.683 1.00 41.14 O ATOM 530 CB LYS A 814 8.764 4.867 -5.180 1.00 40.35 C ATOM 531 CG LYS A 814 9.421 6.018 -4.415 1.00 23.50 C ATOM 532 CD LYS A 814 9.456 5.728 -2.913 1.00 72.41 C ATOM 533 CE LYS A 814 9.510 7.026 -2.105 1.00 61.22 C ATOM 534 NZ LYS A 814 9.766 6.737 -0.676 1.00 62.35 N ATOM 0 H LYS A 814 10.012 3.412 -7.736 1.00 42.54 H new ATOM 0 HA LYS A 814 10.717 4.476 -5.864 1.00 34.00 H new ATOM 0 HB2 LYS A 814 8.184 5.264 -6.013 1.00 40.35 H new ATOM 0 HB3 LYS A 814 8.066 4.343 -4.527 1.00 40.35 H new ATOM 0 HG2 LYS A 814 10.435 6.172 -4.783 1.00 23.50 H new ATOM 0 HG3 LYS A 814 8.872 6.942 -4.598 1.00 23.50 H new ATOM 0 HD2 LYS A 814 8.573 5.155 -2.629 1.00 72.41 H new ATOM 0 HD3 LYS A 814 10.325 5.113 -2.678 1.00 72.41 H new ATOM 0 HE2 LYS A 814 10.294 7.673 -2.497 1.00 61.22 H new ATOM 0 HE3 LYS A 814 8.569 7.566 -2.210 1.00 61.22 H new ATOM 0 HZ1 LYS A 814 9.800 7.629 -0.142 1.00 62.35 H new ATOM 0 HZ2 LYS A 814 9.003 6.137 -0.301 1.00 62.35 H new ATOM 0 HZ3 LYS A 814 10.675 6.241 -0.580 1.00 62.35 H new ATOM 547 N LYS A 815 11.218 2.040 -5.048 1.00 20.53 N ATOM 548 CA LYS A 815 11.672 0.952 -4.197 1.00 50.41 C ATOM 549 C LYS A 815 11.857 1.471 -2.770 1.00 22.14 C ATOM 550 O LYS A 815 11.833 0.695 -1.815 1.00 74.04 O ATOM 551 CB LYS A 815 12.927 0.302 -4.783 1.00 31.02 C ATOM 552 CG LYS A 815 12.605 -0.439 -6.082 1.00 33.51 C ATOM 553 CD LYS A 815 13.538 -1.636 -6.276 1.00 60.21 C ATOM 554 CE LYS A 815 14.981 -1.269 -5.924 1.00 11.11 C ATOM 555 NZ LYS A 815 15.415 -0.081 -6.692 1.00 4.42 N ATOM 0 H LYS A 815 11.764 2.172 -5.900 1.00 20.53 H new ATOM 0 HA LYS A 815 10.922 0.162 -4.155 1.00 50.41 H new ATOM 0 HB2 LYS A 815 13.681 1.065 -4.973 1.00 31.02 H new ATOM 0 HB3 LYS A 815 13.352 -0.393 -4.059 1.00 31.02 H new ATOM 0 HG2 LYS A 815 11.570 -0.780 -6.064 1.00 33.51 H new ATOM 0 HG3 LYS A 815 12.701 0.243 -6.927 1.00 33.51 H new ATOM 0 HD2 LYS A 815 13.207 -2.465 -5.650 1.00 60.21 H new ATOM 0 HD3 LYS A 815 13.488 -1.977 -7.310 1.00 60.21 H new ATOM 0 HE2 LYS A 815 15.061 -1.068 -4.856 1.00 11.11 H new ATOM 0 HE3 LYS A 815 15.640 -2.110 -6.141 1.00 11.11 H new ATOM 0 HZ1 LYS A 815 16.387 -0.224 -7.033 1.00 4.42 H new ATOM 0 HZ2 LYS A 815 14.780 0.058 -7.504 1.00 4.42 H new ATOM 0 HZ3 LYS A 815 15.383 0.759 -6.080 1.00 4.42 H new ATOM 568 N GLY A 816 12.038 2.779 -2.668 1.00 44.42 N ATOM 569 CA GLY A 816 12.228 3.411 -1.373 1.00 73.32 C ATOM 570 C GLY A 816 13.706 3.418 -0.977 1.00 73.34 C ATOM 571 O GLY A 816 14.251 4.461 -0.620 1.00 63.42 O ATOM 0 H GLY A 816 12.057 3.420 -3.462 1.00 44.42 H new ATOM 0 HA2 GLY A 816 11.852 4.433 -1.405 1.00 73.32 H new ATOM 0 HA3 GLY A 816 11.648 2.881 -0.617 1.00 73.32 H new ATOM 575 N GLN A 817 14.312 2.242 -1.054 1.00 75.13 N ATOM 576 CA GLN A 817 15.716 2.100 -0.709 1.00 34.55 C ATOM 577 C GLN A 817 16.527 3.255 -1.298 1.00 22.03 C ATOM 578 O GLN A 817 16.127 3.855 -2.294 1.00 71.42 O ATOM 579 CB GLN A 817 16.262 0.750 -1.179 1.00 11.12 C ATOM 580 CG GLN A 817 17.775 0.667 -0.968 1.00 1.34 C ATOM 581 CD GLN A 817 18.313 -0.703 -1.384 1.00 73.24 C ATOM 582 OE1 GLN A 817 18.324 -1.066 -2.549 1.00 62.21 O ATOM 583 NE2 GLN A 817 18.756 -1.441 -0.371 1.00 22.42 N ATOM 0 H GLN A 817 13.856 1.379 -1.350 1.00 75.13 H new ATOM 0 HA GLN A 817 15.809 2.134 0.377 1.00 34.55 H new ATOM 0 HB2 GLN A 817 15.770 -0.055 -0.633 1.00 11.12 H new ATOM 0 HB3 GLN A 817 16.030 0.607 -2.234 1.00 11.12 H new ATOM 0 HG2 GLN A 817 18.270 1.447 -1.547 1.00 1.34 H new ATOM 0 HG3 GLN A 817 18.010 0.851 0.080 1.00 1.34 H new ATOM 0 HE21 GLN A 817 18.718 -1.076 0.581 1.00 22.42 H new ATOM 0 HE22 GLN A 817 19.134 -2.372 -0.545 1.00 22.42 H new ATOM 592 N GLN A 818 17.653 3.533 -0.657 1.00 30.44 N ATOM 593 CA GLN A 818 18.524 4.606 -1.105 1.00 23.43 C ATOM 594 C GLN A 818 19.316 4.167 -2.338 1.00 74.44 C ATOM 595 O GLN A 818 20.545 4.205 -2.338 1.00 21.04 O ATOM 596 CB GLN A 818 19.463 5.055 0.017 1.00 34.32 C ATOM 597 CG GLN A 818 18.778 6.074 0.930 1.00 74.11 C ATOM 598 CD GLN A 818 18.800 7.471 0.306 1.00 71.31 C ATOM 599 OE1 GLN A 818 18.766 7.640 -0.902 1.00 24.21 O ATOM 600 NE2 GLN A 818 18.858 8.459 1.194 1.00 41.10 N ATOM 0 H GLN A 818 17.982 3.033 0.169 1.00 30.44 H new ATOM 0 HA GLN A 818 17.904 5.460 -1.380 1.00 23.43 H new ATOM 0 HB2 GLN A 818 19.776 4.190 0.602 1.00 34.32 H new ATOM 0 HB3 GLN A 818 20.364 5.493 -0.412 1.00 34.32 H new ATOM 0 HG2 GLN A 818 17.747 5.769 1.112 1.00 74.11 H new ATOM 0 HG3 GLN A 818 19.280 6.096 1.897 1.00 74.11 H new ATOM 0 HE21 GLN A 818 18.884 8.247 2.191 1.00 41.10 H new ATOM 0 HE22 GLN A 818 18.877 9.429 0.878 1.00 41.10 H new ATOM 609 N GLY A 819 18.578 3.760 -3.361 1.00 62.40 N ATOM 610 CA GLY A 819 19.196 3.314 -4.598 1.00 73.25 C ATOM 611 C GLY A 819 18.760 4.189 -5.775 1.00 53.12 C ATOM 612 O GLY A 819 19.375 5.218 -6.049 1.00 42.24 O ATOM 0 H GLY A 819 17.558 3.730 -3.358 1.00 62.40 H new ATOM 0 HA2 GLY A 819 20.281 3.346 -4.499 1.00 73.25 H new ATOM 0 HA3 GLY A 819 18.924 2.276 -4.791 1.00 73.25 H new ATOM 616 N TRP A 820 17.701 3.748 -6.439 1.00 44.22 N ATOM 617 CA TRP A 820 17.176 4.479 -7.580 1.00 71.41 C ATOM 618 C TRP A 820 15.649 4.383 -7.540 1.00 44.33 C ATOM 619 O TRP A 820 15.090 3.656 -6.721 1.00 65.30 O ATOM 620 CB TRP A 820 17.774 3.956 -8.888 1.00 54.20 C ATOM 621 CG TRP A 820 17.467 2.484 -9.168 1.00 21.41 C ATOM 622 CD1 TRP A 820 16.701 1.650 -8.451 1.00 72.25 C ATOM 623 CD2 TRP A 820 17.954 1.700 -10.277 1.00 64.33 C ATOM 624 NE1 TRP A 820 16.659 0.391 -9.016 1.00 32.15 N ATOM 625 CE2 TRP A 820 17.445 0.422 -10.161 1.00 43.42 C ATOM 626 CE3 TRP A 820 18.797 2.058 -11.344 1.00 5.31 C ATOM 627 CZ2 TRP A 820 17.722 -0.599 -11.078 1.00 32.34 C ATOM 628 CZ3 TRP A 820 19.064 1.026 -12.251 1.00 62.21 C ATOM 629 CH2 TRP A 820 18.560 -0.265 -12.148 1.00 74.23 C ATOM 0 H TRP A 820 17.193 2.894 -6.209 1.00 44.22 H new ATOM 0 HA TRP A 820 17.461 5.530 -7.530 1.00 71.41 H new ATOM 0 HB2 TRP A 820 17.397 4.559 -9.714 1.00 54.20 H new ATOM 0 HB3 TRP A 820 18.855 4.092 -8.861 1.00 54.20 H new ATOM 0 HD1 TRP A 820 16.182 1.928 -7.545 1.00 72.25 H new ATOM 0 HE1 TRP A 820 16.145 -0.414 -8.658 1.00 32.15 H new ATOM 0 HE3 TRP A 820 19.206 3.051 -11.455 1.00 5.31 H new ATOM 0 HZ2 TRP A 820 17.311 -1.591 -10.966 1.00 32.34 H new ATOM 0 HZ3 TRP A 820 19.707 1.249 -13.090 1.00 62.21 H new ATOM 0 HH2 TRP A 820 18.814 -1.007 -12.890 1.00 74.23 H new ATOM 640 N TRP A 821 15.018 5.129 -8.436 1.00 23.44 N ATOM 641 CA TRP A 821 13.567 5.137 -8.513 1.00 43.31 C ATOM 642 C TRP A 821 13.169 4.824 -9.957 1.00 21.43 C ATOM 643 O TRP A 821 13.790 5.317 -10.897 1.00 22.11 O ATOM 644 CB TRP A 821 12.999 6.466 -8.012 1.00 5.53 C ATOM 645 CG TRP A 821 12.885 6.559 -6.489 1.00 13.22 C ATOM 646 CD1 TRP A 821 12.755 5.557 -5.609 1.00 13.13 C ATOM 647 CD2 TRP A 821 12.895 7.766 -5.698 1.00 1.33 C ATOM 648 NE1 TRP A 821 12.681 6.028 -4.313 1.00 73.05 N ATOM 649 CE2 TRP A 821 12.769 7.414 -4.369 1.00 50.14 C ATOM 650 CE3 TRP A 821 13.008 9.111 -6.092 1.00 14.35 C ATOM 651 CZ2 TRP A 821 12.743 8.349 -3.328 1.00 21.24 C ATOM 652 CZ3 TRP A 821 12.980 10.033 -5.038 1.00 51.33 C ATOM 653 CH2 TRP A 821 12.853 9.695 -3.696 1.00 64.12 C ATOM 0 H TRP A 821 15.485 5.731 -9.114 1.00 23.44 H new ATOM 0 HA TRP A 821 13.142 4.374 -7.861 1.00 43.31 H new ATOM 0 HB2 TRP A 821 13.633 7.278 -8.369 1.00 5.53 H new ATOM 0 HB3 TRP A 821 12.012 6.616 -8.450 1.00 5.53 H new ATOM 0 HD1 TRP A 821 12.713 4.512 -5.879 1.00 13.13 H new ATOM 0 HE1 TRP A 821 12.580 5.463 -3.470 1.00 73.05 H new ATOM 0 HE3 TRP A 821 13.108 9.409 -7.125 1.00 14.35 H new ATOM 0 HZ2 TRP A 821 12.643 8.048 -2.296 1.00 21.24 H new ATOM 0 HZ3 TRP A 821 13.063 11.081 -5.286 1.00 51.33 H new ATOM 0 HH2 TRP A 821 12.839 10.467 -2.941 1.00 64.12 H new ATOM 664 N ARG A 822 12.136 4.005 -10.087 1.00 54.01 N ATOM 665 CA ARG A 822 11.647 3.620 -11.400 1.00 61.33 C ATOM 666 C ARG A 822 10.443 4.479 -11.792 1.00 31.43 C ATOM 667 O ARG A 822 9.308 4.157 -11.444 1.00 54.14 O ATOM 668 CB ARG A 822 11.243 2.144 -11.426 1.00 54.43 C ATOM 669 CG ARG A 822 11.499 1.530 -12.804 1.00 32.11 C ATOM 670 CD ARG A 822 10.571 0.339 -13.054 1.00 42.23 C ATOM 671 NE ARG A 822 11.220 -0.624 -13.972 1.00 0.31 N ATOM 672 CZ ARG A 822 10.562 -1.599 -14.635 1.00 3.34 C ATOM 673 NH1 ARG A 822 9.229 -1.748 -14.487 1.00 32.45 N ATOM 674 NH2 ARG A 822 11.243 -2.404 -15.429 1.00 55.45 N ATOM 0 H ARG A 822 11.624 3.597 -9.305 1.00 54.01 H new ATOM 0 HA ARG A 822 12.456 3.776 -12.114 1.00 61.33 H new ATOM 0 HB2 ARG A 822 11.805 1.596 -10.670 1.00 54.43 H new ATOM 0 HB3 ARG A 822 10.188 2.048 -11.171 1.00 54.43 H new ATOM 0 HG2 ARG A 822 11.345 2.284 -13.576 1.00 32.11 H new ATOM 0 HG3 ARG A 822 12.538 1.208 -12.875 1.00 32.11 H new ATOM 0 HD2 ARG A 822 10.332 -0.151 -12.110 1.00 42.23 H new ATOM 0 HD3 ARG A 822 9.630 0.684 -13.482 1.00 42.23 H new ATOM 0 HE ARG A 822 12.227 -0.546 -14.112 1.00 0.31 H new ATOM 0 HH11 ARG A 822 8.711 -1.122 -13.871 1.00 32.45 H new ATOM 0 HH12 ARG A 822 8.739 -2.487 -14.991 1.00 32.45 H new ATOM 0 HH21 ARG A 822 12.250 -2.284 -15.534 1.00 55.45 H new ATOM 0 HH22 ARG A 822 10.762 -3.146 -15.937 1.00 55.45 H new ATOM 687 N GLY A 823 10.732 5.554 -12.509 1.00 51.24 N ATOM 688 CA GLY A 823 9.687 6.462 -12.952 1.00 32.33 C ATOM 689 C GLY A 823 9.592 6.486 -14.479 1.00 33.24 C ATOM 690 O GLY A 823 10.004 5.538 -15.145 1.00 30.41 O ATOM 0 H GLY A 823 11.675 5.817 -12.795 1.00 51.24 H new ATOM 0 HA2 GLY A 823 8.730 6.155 -12.529 1.00 32.33 H new ATOM 0 HA3 GLY A 823 9.892 7.466 -12.581 1.00 32.33 H new ATOM 694 N GLU A 824 9.046 7.580 -14.988 1.00 53.14 N ATOM 695 CA GLU A 824 8.891 7.740 -16.424 1.00 42.23 C ATOM 696 C GLU A 824 8.712 9.218 -16.777 1.00 55.13 C ATOM 697 O GLU A 824 8.190 9.992 -15.976 1.00 45.41 O ATOM 698 CB GLU A 824 7.720 6.906 -16.946 1.00 60.42 C ATOM 699 CG GLU A 824 7.229 7.433 -18.296 1.00 1.22 C ATOM 700 CD GLU A 824 6.312 8.644 -18.111 1.00 20.25 C ATOM 701 OE1 GLU A 824 6.703 9.774 -18.438 1.00 63.12 O ATOM 702 OE2 GLU A 824 5.154 8.379 -17.607 1.00 63.31 O ATOM 0 H GLU A 824 8.705 8.364 -14.432 1.00 53.14 H new ATOM 0 HA GLU A 824 9.797 7.377 -16.910 1.00 42.23 H new ATOM 0 HB2 GLU A 824 8.027 5.865 -17.048 1.00 60.42 H new ATOM 0 HB3 GLU A 824 6.903 6.928 -16.224 1.00 60.42 H new ATOM 0 HG2 GLU A 824 8.083 7.710 -18.915 1.00 1.22 H new ATOM 0 HG3 GLU A 824 6.694 6.645 -18.825 1.00 1.22 H new ATOM 710 N ILE A 825 9.153 9.565 -17.977 1.00 60.24 N ATOM 711 CA ILE A 825 9.047 10.936 -18.446 1.00 45.12 C ATOM 712 C ILE A 825 8.654 10.936 -19.925 1.00 13.13 C ATOM 713 O ILE A 825 9.283 10.261 -20.738 1.00 55.12 O ATOM 714 CB ILE A 825 10.339 11.703 -18.154 1.00 15.34 C ATOM 715 CG1 ILE A 825 10.417 12.102 -16.679 1.00 11.24 C ATOM 716 CG2 ILE A 825 10.481 12.911 -19.082 1.00 62.24 C ATOM 717 CD1 ILE A 825 11.431 13.229 -16.468 1.00 75.15 C ATOM 0 H ILE A 825 9.585 8.920 -18.639 1.00 60.24 H new ATOM 0 HA ILE A 825 8.260 11.463 -17.906 1.00 45.12 H new ATOM 0 HB ILE A 825 11.182 11.042 -18.355 1.00 15.34 H new ATOM 0 HG12 ILE A 825 9.434 12.423 -16.333 1.00 11.24 H new ATOM 0 HG13 ILE A 825 10.699 11.237 -16.079 1.00 11.24 H new ATOM 0 HG21 ILE A 825 11.407 13.438 -18.854 1.00 62.24 H new ATOM 0 HG22 ILE A 825 10.502 12.573 -20.118 1.00 62.24 H new ATOM 0 HG23 ILE A 825 9.635 13.583 -18.936 1.00 62.24 H new ATOM 0 HD11 ILE A 825 11.467 13.493 -15.411 1.00 75.15 H new ATOM 0 HD12 ILE A 825 12.417 12.897 -16.792 1.00 75.15 H new ATOM 0 HD13 ILE A 825 11.132 14.101 -17.050 1.00 75.15 H new ATOM 729 N TYR A 826 7.615 11.701 -20.227 1.00 61.15 N ATOM 730 CA TYR A 826 7.130 11.798 -21.594 1.00 30.33 C ATOM 731 C TYR A 826 6.728 10.423 -22.131 1.00 74.04 C ATOM 732 O TYR A 826 6.698 10.210 -23.343 1.00 2.44 O ATOM 733 CB TYR A 826 8.301 12.332 -22.420 1.00 43.52 C ATOM 734 CG TYR A 826 8.942 13.597 -21.845 1.00 65.11 C ATOM 735 CD1 TYR A 826 8.296 14.310 -20.856 1.00 70.01 C ATOM 736 CD2 TYR A 826 10.168 14.025 -22.316 1.00 34.45 C ATOM 737 CE1 TYR A 826 8.900 15.500 -20.315 1.00 15.11 C ATOM 738 CE2 TYR A 826 10.771 15.215 -21.774 1.00 62.33 C ATOM 739 CZ TYR A 826 10.107 15.894 -20.801 1.00 23.22 C ATOM 740 OH TYR A 826 10.677 17.018 -20.290 1.00 23.24 O ATOM 0 H TYR A 826 7.096 12.259 -19.549 1.00 61.15 H new ATOM 0 HA TYR A 826 6.253 12.444 -21.646 1.00 30.33 H new ATOM 0 HB2 TYR A 826 9.061 11.555 -22.498 1.00 43.52 H new ATOM 0 HB3 TYR A 826 7.953 12.541 -23.432 1.00 43.52 H new ATOM 0 HD1 TYR A 826 7.337 13.976 -20.488 1.00 70.01 H new ATOM 0 HD2 TYR A 826 10.674 13.467 -23.090 1.00 34.45 H new ATOM 0 HE1 TYR A 826 8.405 16.067 -19.540 1.00 15.11 H new ATOM 0 HE2 TYR A 826 11.729 15.561 -22.132 1.00 62.33 H new ATOM 0 HH TYR A 826 11.649 16.973 -20.405 1.00 23.24 H new ATOM 750 N GLY A 827 6.428 9.525 -21.204 1.00 55.15 N ATOM 751 CA GLY A 827 6.028 8.177 -21.570 1.00 61.31 C ATOM 752 C GLY A 827 7.248 7.266 -21.723 1.00 31.25 C ATOM 753 O GLY A 827 7.140 6.161 -22.252 1.00 52.04 O ATOM 0 H GLY A 827 6.454 9.705 -20.200 1.00 55.15 H new ATOM 0 HA2 GLY A 827 5.361 7.772 -20.809 1.00 61.31 H new ATOM 0 HA3 GLY A 827 5.468 8.201 -22.505 1.00 61.31 H new ATOM 757 N ARG A 828 8.381 7.763 -21.248 1.00 52.15 N ATOM 758 CA ARG A 828 9.620 7.008 -21.325 1.00 72.24 C ATOM 759 C ARG A 828 9.976 6.431 -19.954 1.00 1.44 C ATOM 760 O ARG A 828 10.214 7.178 -19.005 1.00 52.04 O ATOM 761 CB ARG A 828 10.771 7.887 -21.816 1.00 44.41 C ATOM 762 CG ARG A 828 10.550 8.323 -23.266 1.00 75.41 C ATOM 763 CD ARG A 828 11.797 9.005 -23.831 1.00 2.03 C ATOM 764 NE ARG A 828 11.812 10.433 -23.443 1.00 4.13 N ATOM 765 CZ ARG A 828 12.867 11.256 -23.625 1.00 71.14 C ATOM 766 NH1 ARG A 828 14.003 10.798 -24.193 1.00 30.00 N ATOM 767 NH2 ARG A 828 12.771 12.515 -23.241 1.00 34.15 N ATOM 0 H ARG A 828 8.467 8.679 -20.808 1.00 52.15 H new ATOM 0 HA ARG A 828 9.470 6.196 -22.036 1.00 72.24 H new ATOM 0 HB2 ARG A 828 10.859 8.766 -21.178 1.00 44.41 H new ATOM 0 HB3 ARG A 828 11.710 7.340 -21.736 1.00 44.41 H new ATOM 0 HG2 ARG A 828 10.298 7.455 -23.876 1.00 75.41 H new ATOM 0 HG3 ARG A 828 9.702 9.006 -23.319 1.00 75.41 H new ATOM 0 HD2 ARG A 828 12.693 8.509 -23.459 1.00 2.03 H new ATOM 0 HD3 ARG A 828 11.811 8.914 -24.917 1.00 2.03 H new ATOM 0 HE ARG A 828 10.973 10.820 -23.011 1.00 4.13 H new ATOM 0 HH11 ARG A 828 14.069 9.824 -24.488 1.00 30.00 H new ATOM 0 HH12 ARG A 828 14.795 11.426 -24.327 1.00 30.00 H new ATOM 0 HH21 ARG A 828 11.909 12.854 -22.814 1.00 34.15 H new ATOM 0 HH22 ARG A 828 13.559 13.149 -23.371 1.00 34.15 H new ATOM 780 N ILE A 829 10.002 5.108 -19.892 1.00 11.23 N ATOM 781 CA ILE A 829 10.325 4.423 -18.652 1.00 2.23 C ATOM 782 C ILE A 829 11.842 4.255 -18.548 1.00 24.22 C ATOM 783 O ILE A 829 12.544 4.277 -19.558 1.00 53.20 O ATOM 784 CB ILE A 829 9.552 3.107 -18.549 1.00 71.14 C ATOM 785 CG1 ILE A 829 8.053 3.334 -18.757 1.00 1.14 C ATOM 786 CG2 ILE A 829 9.847 2.399 -17.225 1.00 52.33 C ATOM 787 CD1 ILE A 829 7.349 3.598 -17.424 1.00 42.10 C ATOM 0 H ILE A 829 9.805 4.492 -20.681 1.00 11.23 H new ATOM 0 HA ILE A 829 10.010 5.018 -17.795 1.00 2.23 H new ATOM 0 HB ILE A 829 9.892 2.448 -19.348 1.00 71.14 H new ATOM 0 HG12 ILE A 829 7.899 4.179 -19.428 1.00 1.14 H new ATOM 0 HG13 ILE A 829 7.613 2.461 -19.239 1.00 1.14 H new ATOM 0 HG21 ILE A 829 9.285 1.466 -17.178 1.00 52.33 H new ATOM 0 HG22 ILE A 829 10.913 2.184 -17.157 1.00 52.33 H new ATOM 0 HG23 ILE A 829 9.553 3.042 -16.395 1.00 52.33 H new ATOM 0 HD11 ILE A 829 6.285 3.756 -17.600 1.00 42.10 H new ATOM 0 HD12 ILE A 829 7.485 2.741 -16.765 1.00 42.10 H new ATOM 0 HD13 ILE A 829 7.775 4.486 -16.957 1.00 42.10 H new ATOM 799 N GLY A 830 12.304 4.090 -17.317 1.00 64.00 N ATOM 800 CA GLY A 830 13.726 3.918 -17.068 1.00 35.11 C ATOM 801 C GLY A 830 14.035 4.011 -15.572 1.00 63.34 C ATOM 802 O GLY A 830 13.128 4.157 -14.755 1.00 30.21 O ATOM 0 H GLY A 830 11.719 4.072 -16.481 1.00 64.00 H new ATOM 0 HA2 GLY A 830 14.052 2.951 -17.451 1.00 35.11 H new ATOM 0 HA3 GLY A 830 14.288 4.680 -17.607 1.00 35.11 H new ATOM 806 N TRP A 831 15.320 3.922 -15.260 1.00 52.11 N ATOM 807 CA TRP A 831 15.761 3.994 -13.877 1.00 55.24 C ATOM 808 C TRP A 831 16.594 5.267 -13.713 1.00 20.34 C ATOM 809 O TRP A 831 17.289 5.682 -14.639 1.00 1.04 O ATOM 810 CB TRP A 831 16.518 2.727 -13.477 1.00 4.13 C ATOM 811 CG TRP A 831 15.683 1.448 -13.565 1.00 2.20 C ATOM 812 CD1 TRP A 831 15.416 0.711 -14.651 1.00 61.43 C ATOM 813 CD2 TRP A 831 15.013 0.782 -12.474 1.00 53.22 C ATOM 814 NE1 TRP A 831 14.626 -0.378 -14.342 1.00 14.40 N ATOM 815 CE2 TRP A 831 14.373 -0.333 -12.976 1.00 13.31 C ATOM 816 CE3 TRP A 831 14.949 1.111 -11.109 1.00 23.04 C ATOM 817 CZ2 TRP A 831 13.623 -1.209 -12.182 1.00 4.24 C ATOM 818 CZ3 TRP A 831 14.196 0.225 -10.328 1.00 45.32 C ATOM 819 CH2 TRP A 831 13.546 -0.901 -10.818 1.00 61.21 C ATOM 0 H TRP A 831 16.070 3.801 -15.941 1.00 52.11 H new ATOM 0 HA TRP A 831 14.907 4.048 -13.201 1.00 55.24 H new ATOM 0 HB2 TRP A 831 17.393 2.622 -14.118 1.00 4.13 H new ATOM 0 HB3 TRP A 831 16.882 2.841 -12.456 1.00 4.13 H new ATOM 0 HD1 TRP A 831 15.774 0.940 -15.644 1.00 61.43 H new ATOM 0 HE1 TRP A 831 14.290 -1.085 -14.996 1.00 14.40 H new ATOM 0 HE3 TRP A 831 15.442 1.978 -10.695 1.00 23.04 H new ATOM 0 HZ2 TRP A 831 13.131 -2.075 -12.599 1.00 4.24 H new ATOM 0 HZ3 TRP A 831 14.115 0.432 -9.271 1.00 45.32 H new ATOM 0 HH2 TRP A 831 12.984 -1.536 -10.150 1.00 61.21 H new ATOM 830 N PHE A 832 16.497 5.850 -12.527 1.00 52.00 N ATOM 831 CA PHE A 832 17.233 7.067 -12.229 1.00 22.30 C ATOM 832 C PHE A 832 17.531 7.175 -10.732 1.00 61.41 C ATOM 833 O PHE A 832 16.779 6.658 -9.907 1.00 42.10 O ATOM 834 CB PHE A 832 16.345 8.241 -12.646 1.00 31.51 C ATOM 835 CG PHE A 832 15.089 8.406 -11.788 1.00 72.30 C ATOM 836 CD1 PHE A 832 14.010 7.605 -12.000 1.00 63.22 C ATOM 837 CD2 PHE A 832 15.051 9.354 -10.813 1.00 73.55 C ATOM 838 CE1 PHE A 832 12.845 7.758 -11.204 1.00 55.20 C ATOM 839 CE2 PHE A 832 13.885 9.507 -10.017 1.00 71.04 C ATOM 840 CZ PHE A 832 12.806 8.706 -10.229 1.00 64.05 C ATOM 0 H PHE A 832 15.920 5.502 -11.761 1.00 52.00 H new ATOM 0 HA PHE A 832 18.184 7.067 -12.762 1.00 22.30 H new ATOM 0 HB2 PHE A 832 16.929 9.160 -12.598 1.00 31.51 H new ATOM 0 HB3 PHE A 832 16.047 8.107 -13.686 1.00 31.51 H new ATOM 0 HD1 PHE A 832 14.040 6.853 -12.774 1.00 63.22 H new ATOM 0 HD2 PHE A 832 15.907 9.990 -10.644 1.00 73.55 H new ATOM 0 HE1 PHE A 832 11.989 7.121 -11.372 1.00 55.20 H new ATOM 0 HE2 PHE A 832 13.855 10.260 -9.243 1.00 71.04 H new ATOM 0 HZ PHE A 832 11.919 8.823 -9.624 1.00 64.05 H new ATOM 850 N PRO A 833 18.659 7.867 -10.419 1.00 20.00 N ATOM 851 CA PRO A 833 19.066 8.049 -9.036 1.00 53.20 C ATOM 852 C PRO A 833 18.190 9.093 -8.340 1.00 0.10 C ATOM 853 O PRO A 833 17.730 10.043 -8.971 1.00 43.42 O ATOM 854 CB PRO A 833 20.529 8.453 -9.106 1.00 43.13 C ATOM 855 CG PRO A 833 20.761 8.933 -10.530 1.00 24.02 C ATOM 856 CD PRO A 833 19.574 8.492 -11.370 1.00 13.43 C ATOM 0 HA PRO A 833 18.945 7.145 -8.439 1.00 53.20 H new ATOM 0 HB2 PRO A 833 20.751 9.241 -8.387 1.00 43.13 H new ATOM 0 HB3 PRO A 833 21.179 7.611 -8.867 1.00 43.13 H new ATOM 0 HG2 PRO A 833 20.864 10.018 -10.555 1.00 24.02 H new ATOM 0 HG3 PRO A 833 21.686 8.515 -10.928 1.00 24.02 H new ATOM 0 HD2 PRO A 833 19.106 9.340 -11.871 1.00 13.43 H new ATOM 0 HD3 PRO A 833 19.878 7.791 -12.147 1.00 13.43 H new ATOM 864 N SER A 834 17.986 8.881 -7.048 1.00 52.12 N ATOM 865 CA SER A 834 17.174 9.792 -6.260 1.00 34.15 C ATOM 866 C SER A 834 18.039 10.933 -5.722 1.00 43.32 C ATOM 867 O SER A 834 17.528 11.869 -5.109 1.00 43.31 O ATOM 868 CB SER A 834 16.486 9.059 -5.106 1.00 22.20 C ATOM 869 OG SER A 834 17.368 8.848 -4.007 1.00 21.24 O ATOM 0 H SER A 834 18.369 8.092 -6.528 1.00 52.12 H new ATOM 0 HA SER A 834 16.400 10.205 -6.906 1.00 34.15 H new ATOM 0 HB2 SER A 834 15.623 9.636 -4.773 1.00 22.20 H new ATOM 0 HB3 SER A 834 16.110 8.099 -5.459 1.00 22.20 H new ATOM 0 HG SER A 834 16.891 8.379 -3.290 1.00 21.24 H new ATOM 875 N ASN A 835 19.335 10.818 -5.972 1.00 4.32 N ATOM 876 CA ASN A 835 20.277 11.829 -5.521 1.00 20.11 C ATOM 877 C ASN A 835 20.511 12.839 -6.645 1.00 44.45 C ATOM 878 O ASN A 835 21.303 13.769 -6.495 1.00 20.32 O ATOM 879 CB ASN A 835 21.625 11.203 -5.159 1.00 63.00 C ATOM 880 CG ASN A 835 21.436 9.838 -4.495 1.00 34.04 C ATOM 881 OD1 ASN A 835 21.057 8.861 -5.120 1.00 52.41 O ATOM 882 ND2 ASN A 835 21.719 9.825 -3.195 1.00 71.22 N ATOM 0 H ASN A 835 19.755 10.040 -6.481 1.00 4.32 H new ATOM 0 HA ASN A 835 19.856 12.313 -4.640 1.00 20.11 H new ATOM 0 HB2 ASN A 835 22.232 11.093 -6.058 1.00 63.00 H new ATOM 0 HB3 ASN A 835 22.169 11.866 -4.486 1.00 63.00 H new ATOM 0 HD21 ASN A 835 21.623 8.961 -2.661 1.00 71.22 H new ATOM 0 HD22 ASN A 835 22.032 10.679 -2.733 1.00 71.22 H new ATOM 889 N TYR A 836 19.809 12.623 -7.748 1.00 13.53 N ATOM 890 CA TYR A 836 19.930 13.504 -8.897 1.00 63.23 C ATOM 891 C TYR A 836 18.591 14.168 -9.223 1.00 42.14 C ATOM 892 O TYR A 836 18.525 15.058 -10.070 1.00 64.33 O ATOM 893 CB TYR A 836 20.342 12.612 -10.070 1.00 24.41 C ATOM 894 CG TYR A 836 21.853 12.403 -10.192 1.00 41.45 C ATOM 895 CD1 TYR A 836 22.563 11.866 -9.138 1.00 65.44 C ATOM 896 CD2 TYR A 836 22.506 12.753 -11.357 1.00 53.41 C ATOM 897 CE1 TYR A 836 23.985 11.670 -9.254 1.00 24.43 C ATOM 898 CE2 TYR A 836 23.928 12.557 -11.472 1.00 54.54 C ATOM 899 CZ TYR A 836 24.597 12.025 -10.415 1.00 43.21 C ATOM 900 OH TYR A 836 25.940 11.840 -10.524 1.00 42.20 O ATOM 0 H TYR A 836 19.154 11.850 -7.870 1.00 13.53 H new ATOM 0 HA TYR A 836 20.653 14.296 -8.699 1.00 63.23 H new ATOM 0 HB2 TYR A 836 19.859 11.641 -9.962 1.00 24.41 H new ATOM 0 HB3 TYR A 836 19.970 13.052 -10.996 1.00 24.41 H new ATOM 0 HD1 TYR A 836 22.053 11.593 -8.226 1.00 65.44 H new ATOM 0 HD2 TYR A 836 21.950 13.174 -12.182 1.00 53.41 H new ATOM 0 HE1 TYR A 836 24.553 11.250 -8.437 1.00 24.43 H new ATOM 0 HE2 TYR A 836 24.451 12.827 -12.378 1.00 54.54 H new ATOM 0 HH TYR A 836 26.240 12.137 -11.408 1.00 42.20 H new ATOM 910 N VAL A 837 17.557 13.710 -8.534 1.00 15.41 N ATOM 911 CA VAL A 837 16.223 14.249 -8.740 1.00 12.14 C ATOM 912 C VAL A 837 15.732 14.894 -7.442 1.00 5.51 C ATOM 913 O VAL A 837 16.403 14.817 -6.414 1.00 23.02 O ATOM 914 CB VAL A 837 15.288 13.151 -9.252 1.00 1.24 C ATOM 915 CG1 VAL A 837 15.715 12.672 -10.640 1.00 71.43 C ATOM 916 CG2 VAL A 837 15.221 11.984 -8.265 1.00 22.03 C ATOM 0 H VAL A 837 17.615 12.972 -7.833 1.00 15.41 H new ATOM 0 HA VAL A 837 16.239 15.026 -9.504 1.00 12.14 H new ATOM 0 HB VAL A 837 14.287 13.575 -9.337 1.00 1.24 H new ATOM 0 HG11 VAL A 837 15.034 11.892 -10.981 1.00 71.43 H new ATOM 0 HG12 VAL A 837 15.687 13.509 -11.338 1.00 71.43 H new ATOM 0 HG13 VAL A 837 16.728 12.274 -10.592 1.00 71.43 H new ATOM 0 HG21 VAL A 837 14.550 11.218 -8.653 1.00 22.03 H new ATOM 0 HG22 VAL A 837 16.217 11.561 -8.133 1.00 22.03 H new ATOM 0 HG23 VAL A 837 14.848 12.341 -7.305 1.00 22.03 H new ATOM 926 N GLU A 838 14.566 15.517 -7.532 1.00 23.21 N ATOM 927 CA GLU A 838 13.978 16.175 -6.378 1.00 3.23 C ATOM 928 C GLU A 838 12.746 15.405 -5.898 1.00 40.51 C ATOM 929 O GLU A 838 12.365 14.402 -6.498 1.00 35.41 O ATOM 930 CB GLU A 838 13.627 17.630 -6.696 1.00 75.43 C ATOM 931 CG GLU A 838 14.844 18.540 -6.518 1.00 75.33 C ATOM 932 CD GLU A 838 14.414 19.990 -6.289 1.00 4.32 C ATOM 933 OE1 GLU A 838 14.357 20.445 -5.137 1.00 33.25 O ATOM 934 OE2 GLU A 838 14.136 20.653 -7.360 1.00 61.43 O ATOM 0 H GLU A 838 14.013 15.580 -8.387 1.00 23.21 H new ATOM 0 HA GLU A 838 14.714 16.181 -5.574 1.00 3.23 H new ATOM 0 HB2 GLU A 838 13.260 17.704 -7.720 1.00 75.43 H new ATOM 0 HB3 GLU A 838 12.820 17.964 -6.043 1.00 75.43 H new ATOM 0 HG2 GLU A 838 15.440 18.196 -5.673 1.00 75.33 H new ATOM 0 HG3 GLU A 838 15.480 18.480 -7.401 1.00 75.33 H new ATOM 942 N GLU A 839 12.158 15.905 -4.821 1.00 54.34 N ATOM 943 CA GLU A 839 10.976 15.277 -4.254 1.00 43.15 C ATOM 944 C GLU A 839 10.110 16.319 -3.544 1.00 41.31 C ATOM 945 O GLU A 839 10.602 17.074 -2.707 1.00 44.31 O ATOM 946 CB GLU A 839 11.362 14.143 -3.302 1.00 52.51 C ATOM 947 CG GLU A 839 12.006 12.983 -4.063 1.00 74.14 C ATOM 948 CD GLU A 839 13.523 13.158 -4.150 1.00 1.45 C ATOM 949 OE1 GLU A 839 14.184 13.357 -3.119 1.00 73.11 O ATOM 950 OE2 GLU A 839 14.014 13.081 -5.340 1.00 1.11 O ATOM 0 H GLU A 839 12.478 16.738 -4.326 1.00 54.34 H new ATOM 0 HA GLU A 839 10.393 14.843 -5.066 1.00 43.15 H new ATOM 0 HB2 GLU A 839 12.054 14.517 -2.548 1.00 52.51 H new ATOM 0 HB3 GLU A 839 10.476 13.789 -2.774 1.00 52.51 H new ATOM 0 HG2 GLU A 839 11.773 12.042 -3.564 1.00 74.14 H new ATOM 0 HG3 GLU A 839 11.585 12.924 -5.067 1.00 74.14 H new ATOM 958 N ASP A 840 8.835 16.327 -3.904 1.00 41.01 N ATOM 959 CA ASP A 840 7.896 17.264 -3.312 1.00 12.15 C ATOM 960 C ASP A 840 8.555 18.640 -3.202 1.00 44.34 C ATOM 961 O ASP A 840 8.220 19.425 -2.316 1.00 60.23 O ATOM 962 CB ASP A 840 7.490 16.821 -1.904 1.00 51.44 C ATOM 963 CG ASP A 840 6.326 17.602 -1.292 1.00 13.45 C ATOM 964 OD1 ASP A 840 6.477 18.264 -0.254 1.00 12.41 O ATOM 965 OD2 ASP A 840 5.210 17.511 -1.933 1.00 2.00 O ATOM 0 H ASP A 840 8.430 15.699 -4.599 1.00 41.01 H new ATOM 0 HA ASP A 840 7.012 17.302 -3.948 1.00 12.15 H new ATOM 0 HB2 ASP A 840 7.223 15.765 -1.934 1.00 51.44 H new ATOM 0 HB3 ASP A 840 8.355 16.913 -1.247 1.00 51.44 H new ATOM 971 N TYR A 841 9.482 18.891 -4.116 1.00 14.31 N ATOM 972 CA TYR A 841 10.191 20.159 -4.133 1.00 42.24 C ATOM 973 C TYR A 841 9.226 21.330 -3.939 1.00 40.51 C ATOM 974 O TYR A 841 9.560 22.311 -3.276 1.00 41.45 O ATOM 975 CB TYR A 841 10.831 20.265 -5.519 1.00 53.42 C ATOM 976 CG TYR A 841 9.959 19.716 -6.650 1.00 41.44 C ATOM 977 CD1 TYR A 841 8.985 20.512 -7.220 1.00 24.13 C ATOM 978 CD2 TYR A 841 10.146 18.426 -7.102 1.00 24.33 C ATOM 979 CE1 TYR A 841 8.165 19.995 -8.284 1.00 41.34 C ATOM 980 CE2 TYR A 841 9.326 17.909 -8.166 1.00 40.04 C ATOM 981 CZ TYR A 841 8.376 18.719 -8.705 1.00 51.33 C ATOM 982 OH TYR A 841 7.601 18.231 -9.711 1.00 1.32 O ATOM 0 H TYR A 841 9.758 18.238 -4.849 1.00 14.31 H new ATOM 0 HA TYR A 841 10.926 20.199 -3.329 1.00 42.24 H new ATOM 0 HB2 TYR A 841 11.058 21.311 -5.724 1.00 53.42 H new ATOM 0 HB3 TYR A 841 11.780 19.728 -5.512 1.00 53.42 H new ATOM 0 HD1 TYR A 841 8.839 21.522 -6.867 1.00 24.13 H new ATOM 0 HD2 TYR A 841 10.908 17.804 -6.657 1.00 24.33 H new ATOM 0 HE1 TYR A 841 7.399 20.607 -8.738 1.00 41.34 H new ATOM 0 HE2 TYR A 841 9.462 16.901 -8.528 1.00 40.04 H new ATOM 0 HH TYR A 841 7.079 18.961 -10.105 1.00 1.32 H new ATOM 992 N SER A 842 8.048 21.189 -4.529 1.00 42.21 N ATOM 993 CA SER A 842 7.032 22.223 -4.429 1.00 43.32 C ATOM 994 C SER A 842 5.639 21.598 -4.518 1.00 53.11 C ATOM 995 O SER A 842 5.464 20.547 -5.132 1.00 60.33 O ATOM 996 CB SER A 842 7.211 23.279 -5.522 1.00 63.54 C ATOM 997 OG SER A 842 6.793 22.802 -6.798 1.00 75.24 O ATOM 0 H SER A 842 7.774 20.374 -5.078 1.00 42.21 H new ATOM 0 HA SER A 842 7.141 22.717 -3.463 1.00 43.32 H new ATOM 0 HB2 SER A 842 6.639 24.170 -5.263 1.00 63.54 H new ATOM 0 HB3 SER A 842 8.259 23.576 -5.571 1.00 63.54 H new ATOM 0 HG SER A 842 7.341 22.032 -7.055 1.00 75.24 H new ATOM 1003 N GLU A 843 4.682 22.271 -3.896 1.00 2.41 N ATOM 1004 CA GLU A 843 3.309 21.795 -3.897 1.00 5.10 C ATOM 1005 C GLU A 843 2.505 22.498 -4.992 1.00 15.22 C ATOM 1006 O GLU A 843 2.340 23.717 -4.961 1.00 23.12 O ATOM 1007 CB GLU A 843 2.660 21.993 -2.526 1.00 75.31 C ATOM 1008 CG GLU A 843 2.901 20.780 -1.625 1.00 75.21 C ATOM 1009 CD GLU A 843 2.360 21.028 -0.215 1.00 42.13 C ATOM 1010 OE1 GLU A 843 1.168 20.803 0.040 1.00 31.12 O ATOM 1011 OE2 GLU A 843 3.228 21.470 0.631 1.00 53.20 O ATOM 0 H GLU A 843 4.830 23.143 -3.388 1.00 2.41 H new ATOM 0 HA GLU A 843 3.315 20.726 -4.108 1.00 5.10 H new ATOM 0 HB2 GLU A 843 3.065 22.888 -2.054 1.00 75.31 H new ATOM 0 HB3 GLU A 843 1.589 22.154 -2.647 1.00 75.31 H new ATOM 0 HG2 GLU A 843 2.418 19.902 -2.054 1.00 75.21 H new ATOM 0 HG3 GLU A 843 3.968 20.565 -1.576 1.00 75.21 H new ATOM 1019 N TYR A 844 2.024 21.700 -5.934 1.00 30.13 N ATOM 1020 CA TYR A 844 1.240 22.231 -7.036 1.00 62.52 C ATOM 1021 C TYR A 844 -0.248 22.270 -6.682 1.00 62.11 C ATOM 1022 O TYR A 844 -1.099 22.018 -7.534 1.00 10.24 O ATOM 1023 CB TYR A 844 1.449 21.265 -8.205 1.00 12.22 C ATOM 1024 CG TYR A 844 1.318 21.918 -9.582 1.00 42.12 C ATOM 1025 CD1 TYR A 844 0.705 23.148 -9.708 1.00 34.14 C ATOM 1026 CD2 TYR A 844 1.814 21.277 -10.700 1.00 1.35 C ATOM 1027 CE1 TYR A 844 0.582 23.762 -11.004 1.00 53.50 C ATOM 1028 CE2 TYR A 844 1.691 21.892 -11.996 1.00 22.20 C ATOM 1029 CZ TYR A 844 1.081 23.104 -12.084 1.00 50.12 C ATOM 1030 OH TYR A 844 0.965 23.684 -13.309 1.00 11.53 O ATOM 0 H TYR A 844 2.162 20.690 -5.957 1.00 30.13 H new ATOM 0 HA TYR A 844 1.551 23.249 -7.273 1.00 62.52 H new ATOM 0 HB2 TYR A 844 2.439 20.816 -8.120 1.00 12.22 H new ATOM 0 HB3 TYR A 844 0.724 20.455 -8.128 1.00 12.22 H new ATOM 0 HD1 TYR A 844 0.317 23.650 -8.834 1.00 34.14 H new ATOM 0 HD2 TYR A 844 2.294 20.315 -10.602 1.00 1.35 H new ATOM 0 HE1 TYR A 844 0.104 24.724 -11.116 1.00 53.50 H new ATOM 0 HE2 TYR A 844 2.075 21.402 -12.878 1.00 22.20 H new ATOM 0 HH TYR A 844 1.367 23.101 -13.986 1.00 11.53 H new ATOM 1040 N LEU A 845 -0.516 22.588 -5.424 1.00 63.12 N ATOM 1041 CA LEU A 845 -1.886 22.664 -4.947 1.00 31.50 C ATOM 1042 C LEU A 845 -2.713 23.512 -5.915 1.00 44.41 C ATOM 1043 O LEU A 845 -2.158 24.248 -6.730 1.00 11.43 O ATOM 1044 CB LEU A 845 -1.923 23.166 -3.502 1.00 54.34 C ATOM 1045 CG LEU A 845 -1.835 22.093 -2.416 1.00 65.50 C ATOM 1046 CD1 LEU A 845 -1.215 20.806 -2.966 1.00 13.21 C ATOM 1047 CD2 LEU A 845 -1.081 22.613 -1.191 1.00 4.33 C ATOM 0 H LEU A 845 0.193 22.796 -4.721 1.00 63.12 H new ATOM 0 HA LEU A 845 -2.338 21.672 -4.927 1.00 31.50 H new ATOM 0 HB2 LEU A 845 -1.100 23.866 -3.361 1.00 54.34 H new ATOM 0 HB3 LEU A 845 -2.846 23.727 -3.357 1.00 54.34 H new ATOM 0 HG LEU A 845 -2.847 21.851 -2.092 1.00 65.50 H new ATOM 0 HD11 LEU A 845 -1.164 20.059 -2.174 1.00 13.21 H new ATOM 0 HD12 LEU A 845 -1.829 20.427 -3.783 1.00 13.21 H new ATOM 0 HD13 LEU A 845 -0.210 21.014 -3.334 1.00 13.21 H new ATOM 0 HD21 LEU A 845 -1.033 21.830 -0.434 1.00 4.33 H new ATOM 0 HD22 LEU A 845 -0.070 22.900 -1.481 1.00 4.33 H new ATOM 0 HD23 LEU A 845 -1.602 23.480 -0.784 1.00 4.33 H new ATOM 1059 N PRO A 846 -4.060 23.378 -5.791 1.00 12.02 N ATOM 1060 CA PRO A 846 -4.969 24.124 -6.645 1.00 24.20 C ATOM 1061 C PRO A 846 -5.041 25.592 -6.219 1.00 61.33 C ATOM 1062 O PRO A 846 -4.934 25.904 -5.034 1.00 55.03 O ATOM 1063 CB PRO A 846 -6.302 23.404 -6.525 1.00 1.14 C ATOM 1064 CG PRO A 846 -6.212 22.569 -5.258 1.00 21.13 C ATOM 1065 CD PRO A 846 -4.752 22.516 -4.837 1.00 72.33 C ATOM 0 HA PRO A 846 -4.641 24.155 -7.684 1.00 24.20 H new ATOM 0 HB2 PRO A 846 -7.126 24.115 -6.466 1.00 1.14 H new ATOM 0 HB3 PRO A 846 -6.486 22.774 -7.396 1.00 1.14 H new ATOM 0 HG2 PRO A 846 -6.821 23.008 -4.468 1.00 21.13 H new ATOM 0 HG3 PRO A 846 -6.595 21.564 -5.435 1.00 21.13 H new ATOM 0 HD2 PRO A 846 -4.621 22.871 -3.815 1.00 72.33 H new ATOM 0 HD3 PRO A 846 -4.366 21.497 -4.872 1.00 72.33 H new ATOM 1073 N GLU A 847 -5.221 26.453 -7.209 1.00 54.53 N ATOM 1074 CA GLU A 847 -5.309 27.881 -6.952 1.00 73.12 C ATOM 1075 C GLU A 847 -6.558 28.196 -6.126 1.00 30.51 C ATOM 1076 O GLU A 847 -7.497 27.402 -6.087 1.00 51.11 O ATOM 1077 CB GLU A 847 -5.303 28.675 -8.260 1.00 21.01 C ATOM 1078 CG GLU A 847 -3.954 28.550 -8.970 1.00 44.34 C ATOM 1079 CD GLU A 847 -2.816 29.050 -8.078 1.00 23.33 C ATOM 1080 OE1 GLU A 847 -2.025 28.240 -7.570 1.00 40.44 O ATOM 1081 OE2 GLU A 847 -2.768 30.329 -7.919 1.00 54.01 O ATOM 0 H GLU A 847 -5.308 26.190 -8.191 1.00 54.53 H new ATOM 0 HA GLU A 847 -4.432 28.181 -6.378 1.00 73.12 H new ATOM 0 HB2 GLU A 847 -6.097 28.313 -8.913 1.00 21.01 H new ATOM 0 HB3 GLU A 847 -5.514 29.724 -8.054 1.00 21.01 H new ATOM 0 HG2 GLU A 847 -3.777 27.509 -9.242 1.00 44.34 H new ATOM 0 HG3 GLU A 847 -3.973 29.123 -9.897 1.00 44.34 H new ATOM 1089 N THR A 848 -6.528 29.355 -5.485 1.00 72.05 N ATOM 1090 CA THR A 848 -7.646 29.784 -4.662 1.00 50.23 C ATOM 1091 C THR A 848 -7.626 31.304 -4.486 1.00 22.21 C ATOM 1092 O THR A 848 -6.613 31.872 -4.082 1.00 4.14 O ATOM 1093 CB THR A 848 -7.581 29.018 -3.340 1.00 3.04 C ATOM 1094 OG1 THR A 848 -8.553 29.660 -2.518 1.00 64.44 O ATOM 1095 CG2 THR A 848 -6.261 29.241 -2.598 1.00 60.13 C ATOM 0 H THR A 848 -5.747 30.010 -5.519 1.00 72.05 H new ATOM 0 HA THR A 848 -8.599 29.556 -5.139 1.00 50.23 H new ATOM 0 HB THR A 848 -7.715 27.953 -3.531 1.00 3.04 H new ATOM 0 HG1 THR A 848 -8.578 29.225 -1.640 1.00 64.44 H new ATOM 0 HG21 THR A 848 -6.267 28.675 -1.667 1.00 60.13 H new ATOM 0 HG22 THR A 848 -5.432 28.905 -3.221 1.00 60.13 H new ATOM 0 HG23 THR A 848 -6.142 30.302 -2.377 1.00 60.13 H new TER 1103 THR A 848