USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=17 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 814 LYS NZ :NH3+ -108:sc= 0.488 (180deg=0) USER MOD Set 1.2: A 817 GLN : amide:sc= -0.488 K(o=0.00045,f=-9.4!) USER MOD Single : A 783 THR OG1 : rot 180:sc= 0 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= -0.115 USER MOD Single : A 799 SER OG : rot 180:sc= -0.369 USER MOD Single : A 802 SER OG : rot 180:sc= 0 USER MOD Single : A 804 LYS NZ :NH3+ 166:sc= -1.28 (180deg=-1.7!) USER MOD Single : A 810 LYS NZ :NH3+ 137:sc= 0.0461 (180deg=0) USER MOD Single : A 813 ASN : amide:sc= -0.129 K(o=-0.13,f=-0.76) USER MOD Single : A 815 LYS NZ :NH3+ -125:sc= -0.584 (180deg=-1.11) USER MOD Single : A 818 GLN : amide:sc= -0.252 K(o=-0.25,f=-7.4!) USER MOD Single : A 826 TYR OH : rot 169:sc= -1.18 USER MOD Single : A 834 SER OG : rot 180:sc= 0 USER MOD Single : A 835 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 836 TYR OH : rot 180:sc= 0 USER MOD Single : A 841 TYR OH : rot 30:sc= -1.7 USER MOD Single : A 842 SER OG : rot 180:sc= 0 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 -2.649 9.836 -11.548 1.00 21.23 N ATOM 2 CA GLY A 780 -3.708 8.934 -11.128 1.00 72.01 C ATOM 3 C GLY A 780 -3.450 8.404 -9.716 1.00 42.02 C ATOM 4 O GLY A 780 -2.443 8.743 -9.097 1.00 1.14 O ATOM 0 HA2 GLY A 780 -4.666 9.454 -11.156 1.00 72.01 H new ATOM 0 HA3 GLY A 780 -3.778 8.100 -11.826 1.00 72.01 H new ATOM 8 N PRO A 781 -4.401 7.559 -9.236 1.00 54.14 N ATOM 9 CA PRO A 781 -4.287 6.979 -7.909 1.00 63.12 C ATOM 10 C PRO A 781 -3.237 5.866 -7.886 1.00 72.32 C ATOM 11 O PRO A 781 -2.417 5.762 -8.797 1.00 73.32 O ATOM 12 CB PRO A 781 -5.684 6.485 -7.574 1.00 33.33 C ATOM 13 CG PRO A 781 -6.421 6.386 -8.900 1.00 22.42 C ATOM 14 CD PRO A 781 -5.607 7.135 -9.942 1.00 52.10 C ATOM 0 HA PRO A 781 -3.944 7.697 -7.164 1.00 63.12 H new ATOM 0 HB2 PRO A 781 -5.646 5.517 -7.075 1.00 33.33 H new ATOM 0 HB3 PRO A 781 -6.190 7.173 -6.897 1.00 33.33 H new ATOM 0 HG2 PRO A 781 -6.546 5.343 -9.190 1.00 22.42 H new ATOM 0 HG3 PRO A 781 -7.419 6.815 -8.815 1.00 22.42 H new ATOM 0 HD2 PRO A 781 -5.365 6.495 -10.790 1.00 52.10 H new ATOM 0 HD3 PRO A 781 -6.157 7.990 -10.335 1.00 52.10 H new ATOM 22 N GLY A 782 -3.297 5.062 -6.835 1.00 30.51 N ATOM 23 CA GLY A 782 -2.362 3.960 -6.681 1.00 71.13 C ATOM 24 C GLY A 782 -1.682 4.005 -5.311 1.00 73.43 C ATOM 25 O GLY A 782 -2.218 4.583 -4.367 1.00 41.32 O ATOM 0 H GLY A 782 -3.979 5.151 -6.081 1.00 30.51 H new ATOM 0 HA2 GLY A 782 -2.888 3.013 -6.799 1.00 71.13 H new ATOM 0 HA3 GLY A 782 -1.608 4.006 -7.467 1.00 71.13 H new ATOM 29 N THR A 783 -0.512 3.386 -5.246 1.00 55.13 N ATOM 30 CA THR A 783 0.246 3.348 -4.008 1.00 2.04 C ATOM 31 C THR A 783 1.234 4.515 -3.951 1.00 51.01 C ATOM 32 O THR A 783 1.159 5.354 -3.054 1.00 61.44 O ATOM 33 CB THR A 783 0.919 1.977 -3.907 1.00 15.41 C ATOM 34 OG1 THR A 783 -0.157 1.082 -3.640 1.00 32.20 O ATOM 35 CG2 THR A 783 1.819 1.856 -2.676 1.00 32.23 C ATOM 0 H THR A 783 -0.071 2.907 -6.031 1.00 55.13 H new ATOM 0 HA THR A 783 -0.405 3.471 -3.142 1.00 2.04 H new ATOM 0 HB THR A 783 1.508 1.794 -4.806 1.00 15.41 H new ATOM 0 HG1 THR A 783 0.189 0.169 -3.561 1.00 32.20 H new ATOM 0 HG21 THR A 783 2.272 0.865 -2.652 1.00 32.23 H new ATOM 0 HG22 THR A 783 2.603 2.612 -2.723 1.00 32.23 H new ATOM 0 HG23 THR A 783 1.225 2.005 -1.775 1.00 32.23 H new ATOM 43 N PHE A 784 2.137 4.532 -4.921 1.00 31.55 N ATOM 44 CA PHE A 784 3.138 5.582 -4.993 1.00 25.24 C ATOM 45 C PHE A 784 2.563 6.845 -5.637 1.00 64.55 C ATOM 46 O PHE A 784 1.369 6.911 -5.923 1.00 12.33 O ATOM 47 CB PHE A 784 4.279 5.053 -5.864 1.00 24.22 C ATOM 48 CG PHE A 784 5.265 4.150 -5.118 1.00 55.12 C ATOM 49 CD1 PHE A 784 5.017 2.817 -5.009 1.00 40.24 C ATOM 50 CD2 PHE A 784 6.388 4.681 -4.564 1.00 73.44 C ATOM 51 CE1 PHE A 784 5.931 1.979 -4.318 1.00 3.44 C ATOM 52 CE2 PHE A 784 7.302 3.843 -3.873 1.00 31.24 C ATOM 53 CZ PHE A 784 7.055 2.510 -3.764 1.00 35.02 C ATOM 0 H PHE A 784 2.196 3.835 -5.663 1.00 31.55 H new ATOM 0 HA PHE A 784 3.478 5.841 -3.990 1.00 25.24 H new ATOM 0 HB2 PHE A 784 3.856 4.498 -6.701 1.00 24.22 H new ATOM 0 HB3 PHE A 784 4.823 5.899 -6.285 1.00 24.22 H new ATOM 0 HD1 PHE A 784 4.125 2.396 -5.448 1.00 40.24 H new ATOM 0 HD2 PHE A 784 6.584 5.740 -4.650 1.00 73.44 H new ATOM 0 HE1 PHE A 784 5.735 0.921 -4.232 1.00 3.44 H new ATOM 0 HE2 PHE A 784 8.194 4.264 -3.434 1.00 31.24 H new ATOM 0 HZ PHE A 784 7.751 1.873 -3.238 1.00 35.02 H new ATOM 63 N GLY A 785 3.441 7.815 -5.849 1.00 33.35 N ATOM 64 CA GLY A 785 3.035 9.072 -6.455 1.00 22.45 C ATOM 65 C GLY A 785 3.912 9.406 -7.663 1.00 71.42 C ATOM 66 O GLY A 785 3.968 8.640 -8.624 1.00 62.02 O ATOM 0 H GLY A 785 4.431 7.756 -5.612 1.00 33.35 H new ATOM 0 HA2 GLY A 785 1.992 9.011 -6.764 1.00 22.45 H new ATOM 0 HA3 GLY A 785 3.103 9.873 -5.719 1.00 22.45 H new ATOM 70 N THR A 786 4.574 10.550 -7.575 1.00 63.33 N ATOM 71 CA THR A 786 5.446 10.994 -8.650 1.00 14.42 C ATOM 72 C THR A 786 6.584 11.851 -8.093 1.00 42.30 C ATOM 73 O THR A 786 6.587 12.195 -6.912 1.00 52.10 O ATOM 74 CB THR A 786 4.586 11.724 -9.684 1.00 60.32 C ATOM 75 OG1 THR A 786 3.648 12.457 -8.901 1.00 42.23 O ATOM 76 CG2 THR A 786 3.719 10.767 -10.505 1.00 33.45 C ATOM 0 H THR A 786 4.524 11.183 -6.777 1.00 63.33 H new ATOM 0 HA THR A 786 5.928 10.150 -9.143 1.00 14.42 H new ATOM 0 HB THR A 786 5.230 12.295 -10.353 1.00 60.32 H new ATOM 0 HG1 THR A 786 3.051 12.961 -9.493 1.00 42.23 H new ATOM 0 HG21 THR A 786 3.129 11.336 -11.223 1.00 33.45 H new ATOM 0 HG22 THR A 786 4.358 10.063 -11.037 1.00 33.45 H new ATOM 0 HG23 THR A 786 3.051 10.219 -9.840 1.00 33.45 H new ATOM 84 N ALA A 787 7.524 12.172 -8.970 1.00 22.50 N ATOM 85 CA ALA A 787 8.666 12.982 -8.581 1.00 30.21 C ATOM 86 C ALA A 787 9.042 13.914 -9.735 1.00 34.51 C ATOM 87 O ALA A 787 9.407 13.453 -10.815 1.00 53.15 O ATOM 88 CB ALA A 787 9.823 12.069 -8.168 1.00 54.40 C ATOM 0 H ALA A 787 7.518 11.886 -9.949 1.00 22.50 H new ATOM 0 HA ALA A 787 8.419 13.605 -7.721 1.00 30.21 H new ATOM 0 HB1 ALA A 787 10.680 12.677 -7.876 1.00 54.40 H new ATOM 0 HB2 ALA A 787 9.515 11.449 -7.326 1.00 54.40 H new ATOM 0 HB3 ALA A 787 10.100 11.431 -9.007 1.00 54.40 H new ATOM 94 N LYS A 788 8.939 15.207 -9.466 1.00 70.13 N ATOM 95 CA LYS A 788 9.263 16.207 -10.469 1.00 4.42 C ATOM 96 C LYS A 788 10.784 16.328 -10.590 1.00 31.24 C ATOM 97 O LYS A 788 11.466 16.630 -9.612 1.00 31.45 O ATOM 98 CB LYS A 788 8.565 17.531 -10.150 1.00 61.04 C ATOM 99 CG LYS A 788 8.144 18.251 -11.433 1.00 10.20 C ATOM 100 CD LYS A 788 6.991 19.221 -11.164 1.00 62.42 C ATOM 101 CE LYS A 788 7.094 20.457 -12.060 1.00 24.23 C ATOM 102 NZ LYS A 788 5.881 21.295 -11.928 1.00 64.44 N ATOM 0 H LYS A 788 8.636 15.585 -8.568 1.00 70.13 H new ATOM 0 HA LYS A 788 8.888 15.902 -11.446 1.00 4.42 H new ATOM 0 HB2 LYS A 788 7.689 17.344 -9.529 1.00 61.04 H new ATOM 0 HB3 LYS A 788 9.234 18.169 -9.573 1.00 61.04 H new ATOM 0 HG2 LYS A 788 8.994 18.796 -11.844 1.00 10.20 H new ATOM 0 HG3 LYS A 788 7.841 17.520 -12.182 1.00 10.20 H new ATOM 0 HD2 LYS A 788 6.040 18.718 -11.339 1.00 62.42 H new ATOM 0 HD3 LYS A 788 7.003 19.524 -10.117 1.00 62.42 H new ATOM 0 HE2 LYS A 788 7.976 21.038 -11.789 1.00 24.23 H new ATOM 0 HE3 LYS A 788 7.221 20.151 -13.099 1.00 24.23 H new ATOM 0 HZ1 LYS A 788 5.967 22.130 -12.543 1.00 64.44 H new ATOM 0 HZ2 LYS A 788 5.045 20.743 -12.209 1.00 64.44 H new ATOM 0 HZ3 LYS A 788 5.777 21.602 -10.940 1.00 64.44 H new ATOM 115 N ALA A 789 11.270 16.085 -11.798 1.00 5.51 N ATOM 116 CA ALA A 789 12.698 16.163 -12.059 1.00 73.13 C ATOM 117 C ALA A 789 13.169 17.606 -11.867 1.00 64.35 C ATOM 118 O ALA A 789 12.529 18.541 -12.345 1.00 74.32 O ATOM 119 CB ALA A 789 12.989 15.637 -13.466 1.00 75.41 C ATOM 0 H ALA A 789 10.701 15.834 -12.607 1.00 5.51 H new ATOM 0 HA ALA A 789 13.251 15.539 -11.357 1.00 73.13 H new ATOM 0 HB1 ALA A 789 14.060 15.695 -13.662 1.00 75.41 H new ATOM 0 HB2 ALA A 789 12.662 14.600 -13.542 1.00 75.41 H new ATOM 0 HB3 ALA A 789 12.453 16.241 -14.198 1.00 75.41 H new ATOM 125 N ARG A 790 14.286 17.741 -11.167 1.00 51.44 N ATOM 126 CA ARG A 790 14.851 19.054 -10.907 1.00 11.55 C ATOM 127 C ARG A 790 16.219 19.187 -11.578 1.00 61.33 C ATOM 128 O ARG A 790 16.868 20.226 -11.474 1.00 2.34 O ATOM 129 CB ARG A 790 15.002 19.300 -9.404 1.00 41.40 C ATOM 130 CG ARG A 790 13.651 19.202 -8.694 1.00 14.14 C ATOM 131 CD ARG A 790 12.627 20.145 -9.329 1.00 42.51 C ATOM 132 NE ARG A 790 11.632 20.567 -8.318 1.00 52.24 N ATOM 133 CZ ARG A 790 11.880 21.463 -7.339 1.00 62.31 C ATOM 134 NH1 ARG A 790 13.096 22.039 -7.230 1.00 40.22 N ATOM 135 NH2 ARG A 790 10.916 21.766 -6.490 1.00 4.03 N ATOM 0 H ARG A 790 14.815 16.963 -10.772 1.00 51.44 H new ATOM 0 HA ARG A 790 14.167 19.796 -11.319 1.00 11.55 H new ATOM 0 HB2 ARG A 790 15.693 18.571 -8.980 1.00 41.40 H new ATOM 0 HB3 ARG A 790 15.435 20.286 -9.235 1.00 41.40 H new ATOM 0 HG2 ARG A 790 13.285 18.177 -8.742 1.00 14.14 H new ATOM 0 HG3 ARG A 790 13.772 19.448 -7.639 1.00 14.14 H new ATOM 0 HD2 ARG A 790 13.132 21.019 -9.741 1.00 42.51 H new ATOM 0 HD3 ARG A 790 12.126 19.646 -10.158 1.00 42.51 H new ATOM 0 HE ARG A 790 10.700 20.155 -8.364 1.00 52.24 H new ATOM 0 HH11 ARG A 790 13.835 21.798 -7.890 1.00 40.22 H new ATOM 0 HH12 ARG A 790 13.275 22.715 -6.488 1.00 40.22 H new ATOM 0 HH21 ARG A 790 10.001 21.325 -6.579 1.00 4.03 H new ATOM 0 HH22 ARG A 790 11.087 22.441 -5.744 1.00 4.03 H new ATOM 148 N TYR A 791 16.617 18.118 -12.253 1.00 41.33 N ATOM 149 CA TYR A 791 17.896 18.102 -12.942 1.00 65.10 C ATOM 150 C TYR A 791 17.805 17.313 -14.250 1.00 1.02 C ATOM 151 O TYR A 791 17.189 16.249 -14.296 1.00 11.44 O ATOM 152 CB TYR A 791 18.873 17.394 -12.001 1.00 1.34 C ATOM 153 CG TYR A 791 19.004 18.056 -10.627 1.00 74.14 C ATOM 154 CD1 TYR A 791 17.984 17.939 -9.705 1.00 75.32 C ATOM 155 CD2 TYR A 791 20.141 18.770 -10.311 1.00 25.04 C ATOM 156 CE1 TYR A 791 18.106 18.562 -8.413 1.00 24.53 C ATOM 157 CE2 TYR A 791 20.264 19.393 -9.018 1.00 63.31 C ATOM 158 CZ TYR A 791 19.241 19.258 -8.133 1.00 34.21 C ATOM 159 OH TYR A 791 19.357 19.846 -6.912 1.00 73.02 O ATOM 0 H TYR A 791 16.076 17.257 -12.337 1.00 41.33 H new ATOM 0 HA TYR A 791 18.212 19.116 -13.188 1.00 65.10 H new ATOM 0 HB2 TYR A 791 18.549 16.362 -11.866 1.00 1.34 H new ATOM 0 HB3 TYR A 791 19.855 17.360 -12.472 1.00 1.34 H new ATOM 0 HD1 TYR A 791 17.094 17.380 -9.953 1.00 75.32 H new ATOM 0 HD2 TYR A 791 20.939 18.862 -11.033 1.00 25.04 H new ATOM 0 HE1 TYR A 791 17.315 18.479 -7.683 1.00 24.53 H new ATOM 0 HE2 TYR A 791 21.149 19.955 -8.758 1.00 63.31 H new ATOM 0 HH TYR A 791 20.219 20.307 -6.852 1.00 73.02 H new ATOM 169 N ASP A 792 18.428 17.865 -15.281 1.00 75.31 N ATOM 170 CA ASP A 792 18.424 17.226 -16.586 1.00 62.12 C ATOM 171 C ASP A 792 19.389 16.039 -16.571 1.00 30.54 C ATOM 172 O ASP A 792 20.585 16.209 -16.337 1.00 74.41 O ATOM 173 CB ASP A 792 18.886 18.196 -17.675 1.00 61.04 C ATOM 174 CG ASP A 792 19.149 17.558 -19.041 1.00 32.31 C ATOM 175 OD1 ASP A 792 19.817 16.518 -19.142 1.00 31.01 O ATOM 176 OD2 ASP A 792 18.628 18.181 -20.043 1.00 61.12 O ATOM 0 H ASP A 792 18.939 18.747 -15.239 1.00 75.31 H new ATOM 0 HA ASP A 792 17.406 16.902 -16.799 1.00 62.12 H new ATOM 0 HB2 ASP A 792 18.130 18.973 -17.793 1.00 61.04 H new ATOM 0 HB3 ASP A 792 19.799 18.688 -17.339 1.00 61.04 H new ATOM 182 N PHE A 793 18.833 14.862 -16.822 1.00 44.31 N ATOM 183 CA PHE A 793 19.630 13.647 -16.840 1.00 33.01 C ATOM 184 C PHE A 793 19.390 12.853 -18.126 1.00 10.13 C ATOM 185 O PHE A 793 18.292 12.348 -18.352 1.00 34.32 O ATOM 186 CB PHE A 793 19.185 12.804 -15.643 1.00 60.54 C ATOM 187 CG PHE A 793 20.286 11.910 -15.069 1.00 31.41 C ATOM 188 CD1 PHE A 793 21.546 12.397 -14.913 1.00 13.43 C ATOM 189 CD2 PHE A 793 20.004 10.627 -14.714 1.00 45.12 C ATOM 190 CE1 PHE A 793 22.567 11.568 -14.379 1.00 63.24 C ATOM 191 CE2 PHE A 793 21.026 9.798 -14.181 1.00 21.51 C ATOM 192 CZ PHE A 793 22.286 10.285 -14.025 1.00 11.33 C ATOM 0 H PHE A 793 17.841 14.724 -17.014 1.00 44.31 H new ATOM 0 HA PHE A 793 20.690 13.896 -16.791 1.00 33.01 H new ATOM 0 HB2 PHE A 793 18.824 13.468 -14.858 1.00 60.54 H new ATOM 0 HB3 PHE A 793 18.344 12.180 -15.944 1.00 60.54 H new ATOM 0 HD1 PHE A 793 21.770 13.415 -15.196 1.00 13.43 H new ATOM 0 HD2 PHE A 793 19.003 10.240 -14.838 1.00 45.12 H new ATOM 0 HE1 PHE A 793 23.567 11.956 -14.254 1.00 63.24 H new ATOM 0 HE2 PHE A 793 20.802 8.780 -13.899 1.00 21.51 H new ATOM 0 HZ PHE A 793 23.063 9.654 -13.620 1.00 11.33 H new ATOM 202 N CYS A 794 20.436 12.768 -18.935 1.00 11.34 N ATOM 203 CA CYS A 794 20.353 12.044 -20.192 1.00 11.52 C ATOM 204 C CYS A 794 20.634 10.566 -19.915 1.00 0.44 C ATOM 205 O CYS A 794 21.522 10.236 -19.130 1.00 43.24 O ATOM 206 CB CYS A 794 21.307 12.620 -21.240 1.00 3.21 C ATOM 207 SG CYS A 794 21.351 11.533 -22.711 1.00 74.12 S ATOM 0 H CYS A 794 21.345 13.189 -18.744 1.00 11.34 H new ATOM 0 HA CYS A 794 19.352 12.150 -20.610 1.00 11.52 H new ATOM 0 HB2 CYS A 794 20.984 13.621 -21.527 1.00 3.21 H new ATOM 0 HB3 CYS A 794 22.308 12.716 -20.819 1.00 3.21 H new ATOM 0 HG CYS A 794 22.162 12.032 -23.596 1.00 74.12 H new ATOM 213 N ALA A 795 19.861 9.716 -20.573 1.00 55.15 N ATOM 214 CA ALA A 795 20.015 8.281 -20.408 1.00 22.22 C ATOM 215 C ALA A 795 20.958 7.746 -21.488 1.00 32.22 C ATOM 216 O ALA A 795 20.540 7.513 -22.621 1.00 64.01 O ATOM 217 CB ALA A 795 18.640 7.611 -20.450 1.00 24.23 C ATOM 0 H ALA A 795 19.125 9.994 -21.222 1.00 55.15 H new ATOM 0 HA ALA A 795 20.459 8.052 -19.439 1.00 22.22 H new ATOM 0 HB1 ALA A 795 18.756 6.534 -20.326 1.00 24.23 H new ATOM 0 HB2 ALA A 795 18.019 8.004 -19.645 1.00 24.23 H new ATOM 0 HB3 ALA A 795 18.164 7.817 -21.409 1.00 24.23 H new ATOM 223 N ARG A 796 22.211 7.567 -21.098 1.00 63.51 N ATOM 224 CA ARG A 796 23.217 7.063 -22.019 1.00 15.31 C ATOM 225 C ARG A 796 22.721 5.785 -22.699 1.00 2.41 C ATOM 226 O ARG A 796 23.165 5.450 -23.796 1.00 21.42 O ATOM 227 CB ARG A 796 24.531 6.770 -21.293 1.00 32.23 C ATOM 228 CG ARG A 796 24.981 7.976 -20.465 1.00 62.54 C ATOM 229 CD ARG A 796 24.725 9.283 -21.218 1.00 4.13 C ATOM 230 NE ARG A 796 25.581 10.359 -20.669 1.00 32.35 N ATOM 231 CZ ARG A 796 25.317 11.026 -19.525 1.00 53.43 C ATOM 232 NH1 ARG A 796 24.217 10.734 -18.799 1.00 73.25 N ATOM 233 NH2 ARG A 796 26.150 11.970 -19.128 1.00 22.31 N ATOM 0 H ARG A 796 22.553 7.762 -20.157 1.00 63.51 H new ATOM 0 HA ARG A 796 23.395 7.833 -22.770 1.00 15.31 H new ATOM 0 HB2 ARG A 796 24.406 5.904 -20.643 1.00 32.23 H new ATOM 0 HB3 ARG A 796 25.303 6.515 -22.019 1.00 32.23 H new ATOM 0 HG2 ARG A 796 24.447 7.989 -19.515 1.00 62.54 H new ATOM 0 HG3 ARG A 796 26.042 7.887 -20.233 1.00 62.54 H new ATOM 0 HD2 ARG A 796 24.933 9.148 -22.279 1.00 4.13 H new ATOM 0 HD3 ARG A 796 23.675 9.562 -21.132 1.00 4.13 H new ATOM 0 HE ARG A 796 26.422 10.612 -21.187 1.00 32.35 H new ATOM 0 HH11 ARG A 796 23.577 10.004 -19.113 1.00 73.25 H new ATOM 0 HH12 ARG A 796 24.026 11.243 -17.936 1.00 73.25 H new ATOM 0 HH21 ARG A 796 26.978 12.186 -19.683 1.00 22.31 H new ATOM 0 HH22 ARG A 796 25.966 12.484 -18.266 1.00 22.31 H new ATOM 246 N ASP A 797 21.808 5.107 -22.019 1.00 51.45 N ATOM 247 CA ASP A 797 21.247 3.874 -22.544 1.00 65.24 C ATOM 248 C ASP A 797 19.825 3.697 -22.009 1.00 70.25 C ATOM 249 O ASP A 797 19.342 4.522 -21.235 1.00 70.44 O ATOM 250 CB ASP A 797 22.072 2.663 -22.104 1.00 23.12 C ATOM 251 CG ASP A 797 22.068 1.487 -23.082 1.00 74.33 C ATOM 252 OD1 ASP A 797 21.562 1.596 -24.209 1.00 63.44 O ATOM 253 OD2 ASP A 797 22.620 0.408 -22.640 1.00 75.33 O ATOM 0 H ASP A 797 21.443 5.388 -21.109 1.00 51.45 H new ATOM 0 HA ASP A 797 21.252 3.938 -23.632 1.00 65.24 H new ATOM 0 HB2 ASP A 797 23.102 2.982 -21.947 1.00 23.12 H new ATOM 0 HB3 ASP A 797 21.696 2.317 -21.141 1.00 23.12 H new ATOM 259 N ARG A 798 19.194 2.616 -22.444 1.00 21.45 N ATOM 260 CA ARG A 798 17.837 2.320 -22.018 1.00 74.10 C ATOM 261 C ARG A 798 17.828 1.845 -20.564 1.00 33.14 C ATOM 262 O ARG A 798 16.765 1.613 -19.989 1.00 62.11 O ATOM 263 CB ARG A 798 17.204 1.244 -22.903 1.00 23.54 C ATOM 264 CG ARG A 798 17.210 1.669 -24.372 1.00 71.24 C ATOM 265 CD ARG A 798 17.104 0.453 -25.295 1.00 54.24 C ATOM 266 NE ARG A 798 15.794 -0.211 -25.108 1.00 64.24 N ATOM 267 CZ ARG A 798 15.303 -1.160 -25.933 1.00 73.21 C ATOM 268 NH1 ARG A 798 16.009 -1.565 -27.010 1.00 52.33 N ATOM 269 NH2 ARG A 798 14.121 -1.686 -25.671 1.00 31.44 N ATOM 0 H ARG A 798 19.598 1.935 -23.087 1.00 21.45 H new ATOM 0 HA ARG A 798 17.254 3.237 -22.107 1.00 74.10 H new ATOM 0 HB2 ARG A 798 17.750 0.307 -22.790 1.00 23.54 H new ATOM 0 HB3 ARG A 798 16.180 1.058 -22.579 1.00 23.54 H new ATOM 0 HG2 ARG A 798 16.378 2.347 -24.561 1.00 71.24 H new ATOM 0 HG3 ARG A 798 18.126 2.218 -24.592 1.00 71.24 H new ATOM 0 HD2 ARG A 798 17.219 0.763 -26.334 1.00 54.24 H new ATOM 0 HD3 ARG A 798 17.910 -0.248 -25.081 1.00 54.24 H new ATOM 0 HE ARG A 798 15.227 0.066 -24.306 1.00 64.24 H new ATOM 0 HH11 ARG A 798 16.921 -1.153 -27.206 1.00 52.33 H new ATOM 0 HH12 ARG A 798 15.630 -2.283 -27.628 1.00 52.33 H new ATOM 0 HH21 ARG A 798 13.593 -1.374 -24.856 1.00 31.44 H new ATOM 0 HH22 ARG A 798 13.735 -2.404 -26.284 1.00 31.44 H new ATOM 282 N SER A 799 19.024 1.714 -20.010 1.00 3.41 N ATOM 283 CA SER A 799 19.168 1.271 -18.634 1.00 13.35 C ATOM 284 C SER A 799 18.908 2.438 -17.678 1.00 45.14 C ATOM 285 O SER A 799 18.606 2.229 -16.505 1.00 20.13 O ATOM 286 CB SER A 799 20.558 0.682 -18.387 1.00 11.13 C ATOM 287 OG SER A 799 21.590 1.507 -18.921 1.00 71.12 O ATOM 0 H SER A 799 19.903 1.907 -20.490 1.00 3.41 H new ATOM 0 HA SER A 799 18.433 0.487 -18.449 1.00 13.35 H new ATOM 0 HB2 SER A 799 20.713 0.556 -17.316 1.00 11.13 H new ATOM 0 HB3 SER A 799 20.617 -0.309 -18.837 1.00 11.13 H new ATOM 0 HG SER A 799 22.462 1.098 -18.741 1.00 71.12 H new ATOM 293 N GLU A 800 19.036 3.642 -18.217 1.00 64.33 N ATOM 294 CA GLU A 800 18.820 4.842 -17.428 1.00 13.13 C ATOM 295 C GLU A 800 17.476 5.478 -17.787 1.00 55.41 C ATOM 296 O GLU A 800 17.012 5.361 -18.921 1.00 24.15 O ATOM 297 CB GLU A 800 19.966 5.838 -17.618 1.00 32.33 C ATOM 298 CG GLU A 800 20.077 6.782 -16.419 1.00 34.43 C ATOM 299 CD GLU A 800 21.066 6.240 -15.384 1.00 54.33 C ATOM 300 OE1 GLU A 800 22.123 6.848 -15.161 1.00 22.24 O ATOM 301 OE2 GLU A 800 20.702 5.148 -14.802 1.00 64.12 O ATOM 0 H GLU A 800 19.287 3.812 -19.191 1.00 64.33 H new ATOM 0 HA GLU A 800 18.798 4.561 -16.375 1.00 13.13 H new ATOM 0 HB2 GLU A 800 20.904 5.298 -17.748 1.00 32.33 H new ATOM 0 HB3 GLU A 800 19.803 6.417 -18.527 1.00 32.33 H new ATOM 0 HG2 GLU A 800 20.401 7.767 -16.756 1.00 34.43 H new ATOM 0 HG3 GLU A 800 19.097 6.909 -15.959 1.00 34.43 H new ATOM 309 N LEU A 801 16.887 6.139 -16.801 1.00 31.54 N ATOM 310 CA LEU A 801 15.605 6.794 -16.999 1.00 20.44 C ATOM 311 C LEU A 801 15.834 8.180 -17.603 1.00 11.41 C ATOM 312 O LEU A 801 16.681 8.936 -17.129 1.00 14.14 O ATOM 313 CB LEU A 801 14.807 6.816 -15.693 1.00 63.52 C ATOM 314 CG LEU A 801 13.287 6.910 -15.838 1.00 30.02 C ATOM 315 CD1 LEU A 801 12.619 7.122 -14.478 1.00 1.31 C ATOM 316 CD2 LEU A 801 12.898 7.996 -16.843 1.00 63.11 C ATOM 0 H LEU A 801 17.274 6.235 -15.862 1.00 31.54 H new ATOM 0 HA LEU A 801 14.996 6.233 -17.708 1.00 20.44 H new ATOM 0 HB2 LEU A 801 15.043 5.913 -15.131 1.00 63.52 H new ATOM 0 HB3 LEU A 801 15.148 7.662 -15.096 1.00 63.52 H new ATOM 0 HG LEU A 801 12.922 5.961 -16.232 1.00 30.02 H new ATOM 0 HD11 LEU A 801 11.539 7.185 -14.609 1.00 1.31 H new ATOM 0 HD12 LEU A 801 12.856 6.285 -13.822 1.00 1.31 H new ATOM 0 HD13 LEU A 801 12.985 8.047 -14.033 1.00 1.31 H new ATOM 0 HD21 LEU A 801 11.812 8.042 -16.927 1.00 63.11 H new ATOM 0 HD22 LEU A 801 13.277 8.960 -16.502 1.00 63.11 H new ATOM 0 HD23 LEU A 801 13.328 7.761 -17.817 1.00 63.11 H new ATOM 328 N SER A 802 15.064 8.473 -18.641 1.00 21.22 N ATOM 329 CA SER A 802 15.172 9.756 -19.315 1.00 22.50 C ATOM 330 C SER A 802 14.600 10.863 -18.428 1.00 33.22 C ATOM 331 O SER A 802 13.384 11.035 -18.351 1.00 2.41 O ATOM 332 CB SER A 802 14.452 9.731 -20.664 1.00 71.15 C ATOM 333 OG SER A 802 15.247 10.294 -21.704 1.00 62.35 O ATOM 0 H SER A 802 14.363 7.844 -19.032 1.00 21.22 H new ATOM 0 HA SER A 802 16.227 9.957 -19.501 1.00 22.50 H new ATOM 0 HB2 SER A 802 14.196 8.703 -20.919 1.00 71.15 H new ATOM 0 HB3 SER A 802 13.515 10.282 -20.585 1.00 71.15 H new ATOM 0 HG SER A 802 14.753 10.258 -22.550 1.00 62.35 H new ATOM 339 N LEU A 803 15.503 11.584 -17.780 1.00 54.41 N ATOM 340 CA LEU A 803 15.103 12.670 -16.901 1.00 54.23 C ATOM 341 C LEU A 803 15.205 13.996 -17.657 1.00 43.52 C ATOM 342 O LEU A 803 16.080 14.165 -18.506 1.00 12.44 O ATOM 343 CB LEU A 803 15.914 12.637 -15.605 1.00 22.22 C ATOM 344 CG LEU A 803 15.121 12.832 -14.311 1.00 55.44 C ATOM 345 CD1 LEU A 803 14.227 11.623 -14.028 1.00 44.02 C ATOM 346 CD2 LEU A 803 16.052 13.144 -13.138 1.00 50.34 C ATOM 0 H LEU A 803 16.510 11.438 -17.846 1.00 54.41 H new ATOM 0 HA LEU A 803 14.062 12.553 -16.601 1.00 54.23 H new ATOM 0 HB2 LEU A 803 16.433 11.680 -15.549 1.00 22.22 H new ATOM 0 HB3 LEU A 803 16.679 13.412 -15.659 1.00 22.22 H new ATOM 0 HG LEU A 803 14.466 13.694 -14.439 1.00 55.44 H new ATOM 0 HD11 LEU A 803 13.675 11.788 -13.103 1.00 44.02 H new ATOM 0 HD12 LEU A 803 13.525 11.489 -14.851 1.00 44.02 H new ATOM 0 HD13 LEU A 803 14.844 10.730 -13.928 1.00 44.02 H new ATOM 0 HD21 LEU A 803 15.462 13.278 -12.231 1.00 50.34 H new ATOM 0 HD22 LEU A 803 16.750 12.319 -12.998 1.00 50.34 H new ATOM 0 HD23 LEU A 803 16.608 14.058 -13.348 1.00 50.34 H new ATOM 358 N LYS A 804 14.300 14.904 -17.322 1.00 73.41 N ATOM 359 CA LYS A 804 14.277 16.210 -17.959 1.00 24.44 C ATOM 360 C LYS A 804 13.528 17.197 -17.061 1.00 64.22 C ATOM 361 O LYS A 804 12.317 17.082 -16.881 1.00 61.50 O ATOM 362 CB LYS A 804 13.703 16.107 -19.373 1.00 61.50 C ATOM 363 CG LYS A 804 14.376 17.110 -20.312 1.00 72.34 C ATOM 364 CD LYS A 804 13.596 18.425 -20.359 1.00 51.12 C ATOM 365 CE LYS A 804 12.501 18.375 -21.426 1.00 55.42 C ATOM 366 NZ LYS A 804 11.399 17.484 -20.997 1.00 44.34 N ATOM 0 H LYS A 804 13.577 14.761 -16.617 1.00 73.41 H new ATOM 0 HA LYS A 804 15.290 16.593 -18.079 1.00 24.44 H new ATOM 0 HB2 LYS A 804 13.844 15.096 -19.754 1.00 61.50 H new ATOM 0 HB3 LYS A 804 12.629 16.291 -19.348 1.00 61.50 H new ATOM 0 HG2 LYS A 804 15.396 17.300 -19.977 1.00 72.34 H new ATOM 0 HG3 LYS A 804 14.443 16.687 -21.314 1.00 72.34 H new ATOM 0 HD2 LYS A 804 13.150 18.622 -19.384 1.00 51.12 H new ATOM 0 HD3 LYS A 804 14.278 19.249 -20.571 1.00 51.12 H new ATOM 0 HE2 LYS A 804 12.116 19.378 -21.607 1.00 55.42 H new ATOM 0 HE3 LYS A 804 12.919 18.019 -22.368 1.00 55.42 H new ATOM 0 HZ1 LYS A 804 10.570 17.640 -21.605 1.00 44.34 H new ATOM 0 HZ2 LYS A 804 11.704 16.493 -21.075 1.00 44.34 H new ATOM 0 HZ3 LYS A 804 11.148 17.693 -20.009 1.00 44.34 H new ATOM 379 N GLU A 805 14.280 18.145 -16.522 1.00 44.11 N ATOM 380 CA GLU A 805 13.703 19.152 -15.648 1.00 32.31 C ATOM 381 C GLU A 805 12.338 19.596 -16.179 1.00 22.14 C ATOM 382 O GLU A 805 12.125 19.644 -17.389 1.00 34.41 O ATOM 383 CB GLU A 805 14.645 20.347 -15.490 1.00 61.31 C ATOM 384 CG GLU A 805 15.611 20.133 -14.323 1.00 63.22 C ATOM 385 CD GLU A 805 16.950 20.825 -14.586 1.00 1.31 C ATOM 386 OE1 GLU A 805 17.605 20.544 -15.601 1.00 13.51 O ATOM 387 OE2 GLU A 805 17.305 21.684 -13.691 1.00 55.21 O ATOM 0 H GLU A 805 15.284 18.237 -16.674 1.00 44.11 H new ATOM 0 HA GLU A 805 13.562 18.711 -14.661 1.00 32.31 H new ATOM 0 HB2 GLU A 805 15.209 20.494 -16.411 1.00 61.31 H new ATOM 0 HB3 GLU A 805 14.063 21.254 -15.324 1.00 61.31 H new ATOM 0 HG2 GLU A 805 15.170 20.523 -13.405 1.00 63.22 H new ATOM 0 HG3 GLU A 805 15.773 19.066 -14.171 1.00 63.22 H new ATOM 395 N GLY A 806 11.450 19.910 -15.247 1.00 21.42 N ATOM 396 CA GLY A 806 10.112 20.348 -15.606 1.00 1.14 C ATOM 397 C GLY A 806 9.238 19.162 -16.017 1.00 20.41 C ATOM 398 O GLY A 806 8.219 19.338 -16.683 1.00 41.10 O ATOM 0 H GLY A 806 11.631 19.870 -14.244 1.00 21.42 H new ATOM 0 HA2 GLY A 806 9.656 20.865 -14.762 1.00 1.14 H new ATOM 0 HA3 GLY A 806 10.168 21.064 -16.426 1.00 1.14 H new ATOM 402 N ASP A 807 9.668 17.979 -15.603 1.00 24.01 N ATOM 403 CA ASP A 807 8.938 16.764 -15.920 1.00 32.41 C ATOM 404 C ASP A 807 8.656 15.992 -14.629 1.00 62.33 C ATOM 405 O ASP A 807 9.273 16.253 -13.598 1.00 44.30 O ATOM 406 CB ASP A 807 9.752 15.857 -16.845 1.00 10.00 C ATOM 407 CG ASP A 807 10.047 16.442 -18.228 1.00 32.41 C ATOM 408 OD1 ASP A 807 9.804 17.630 -18.484 1.00 11.32 O ATOM 409 OD2 ASP A 807 10.554 15.611 -19.074 1.00 64.40 O ATOM 0 H ASP A 807 10.513 17.836 -15.050 1.00 24.01 H new ATOM 0 HA ASP A 807 8.011 17.048 -16.418 1.00 32.41 H new ATOM 0 HB2 ASP A 807 10.698 15.621 -16.358 1.00 10.00 H new ATOM 0 HB3 ASP A 807 9.215 14.917 -16.972 1.00 10.00 H new ATOM 415 N ILE A 808 7.724 15.056 -14.729 1.00 34.12 N ATOM 416 CA ILE A 808 7.353 14.244 -13.582 1.00 54.12 C ATOM 417 C ILE A 808 7.873 12.819 -13.782 1.00 0.22 C ATOM 418 O ILE A 808 7.955 12.337 -14.910 1.00 71.23 O ATOM 419 CB ILE A 808 5.844 14.319 -13.338 1.00 41.30 C ATOM 420 CG1 ILE A 808 5.087 14.546 -14.648 1.00 42.13 C ATOM 421 CG2 ILE A 808 5.510 15.384 -12.292 1.00 5.55 C ATOM 422 CD1 ILE A 808 5.223 15.997 -15.116 1.00 32.43 C ATOM 0 H ILE A 808 7.215 14.842 -15.586 1.00 34.12 H new ATOM 0 HA ILE A 808 7.819 14.630 -12.675 1.00 54.12 H new ATOM 0 HB ILE A 808 5.515 13.360 -12.938 1.00 41.30 H new ATOM 0 HG12 ILE A 808 5.472 13.875 -15.416 1.00 42.13 H new ATOM 0 HG13 ILE A 808 4.034 14.302 -14.510 1.00 42.13 H new ATOM 0 HG21 ILE A 808 4.431 15.417 -12.138 1.00 5.55 H new ATOM 0 HG22 ILE A 808 6.004 15.138 -11.352 1.00 5.55 H new ATOM 0 HG23 ILE A 808 5.856 16.357 -12.640 1.00 5.55 H new ATOM 0 HD11 ILE A 808 4.676 16.131 -16.049 1.00 32.43 H new ATOM 0 HD12 ILE A 808 4.815 16.664 -14.357 1.00 32.43 H new ATOM 0 HD13 ILE A 808 6.276 16.231 -15.276 1.00 32.43 H new ATOM 434 N ILE A 809 8.211 12.186 -12.668 1.00 64.45 N ATOM 435 CA ILE A 809 8.722 10.826 -12.707 1.00 34.31 C ATOM 436 C ILE A 809 7.780 9.910 -11.922 1.00 70.13 C ATOM 437 O ILE A 809 7.619 10.068 -10.713 1.00 65.10 O ATOM 438 CB ILE A 809 10.170 10.783 -12.217 1.00 65.00 C ATOM 439 CG1 ILE A 809 11.142 11.132 -13.347 1.00 33.42 C ATOM 440 CG2 ILE A 809 10.494 9.430 -11.580 1.00 2.11 C ATOM 441 CD1 ILE A 809 11.406 12.638 -13.397 1.00 71.25 C ATOM 0 H ILE A 809 8.141 12.589 -11.734 1.00 64.45 H new ATOM 0 HA ILE A 809 8.746 10.457 -13.732 1.00 34.31 H new ATOM 0 HB ILE A 809 10.291 11.540 -11.443 1.00 65.00 H new ATOM 0 HG12 ILE A 809 12.082 10.599 -13.201 1.00 33.42 H new ATOM 0 HG13 ILE A 809 10.732 10.799 -14.300 1.00 33.42 H new ATOM 0 HG21 ILE A 809 11.530 9.426 -11.240 1.00 2.11 H new ATOM 0 HG22 ILE A 809 9.833 9.260 -10.730 1.00 2.11 H new ATOM 0 HG23 ILE A 809 10.351 8.638 -12.315 1.00 2.11 H new ATOM 0 HD11 ILE A 809 12.100 12.859 -14.208 1.00 71.25 H new ATOM 0 HD12 ILE A 809 10.468 13.166 -13.567 1.00 71.25 H new ATOM 0 HD13 ILE A 809 11.839 12.963 -12.451 1.00 71.25 H new ATOM 453 N LYS A 810 7.182 8.972 -12.642 1.00 51.45 N ATOM 454 CA LYS A 810 6.260 8.031 -12.029 1.00 4.31 C ATOM 455 C LYS A 810 7.054 6.992 -11.234 1.00 14.45 C ATOM 456 O LYS A 810 7.792 6.195 -11.810 1.00 51.21 O ATOM 457 CB LYS A 810 5.335 7.422 -13.084 1.00 52.41 C ATOM 458 CG LYS A 810 4.578 6.218 -12.520 1.00 54.41 C ATOM 459 CD LYS A 810 4.008 6.529 -11.134 1.00 63.23 C ATOM 460 CE LYS A 810 2.709 5.758 -10.890 1.00 4.21 C ATOM 461 NZ LYS A 810 2.244 5.955 -9.499 1.00 54.40 N ATOM 0 H LYS A 810 7.318 8.844 -13.645 1.00 51.45 H new ATOM 0 HA LYS A 810 5.606 8.543 -11.323 1.00 4.31 H new ATOM 0 HB2 LYS A 810 4.625 8.174 -13.428 1.00 52.41 H new ATOM 0 HB3 LYS A 810 5.919 7.115 -13.951 1.00 52.41 H new ATOM 0 HG2 LYS A 810 3.769 5.943 -13.197 1.00 54.41 H new ATOM 0 HG3 LYS A 810 5.247 5.360 -12.458 1.00 54.41 H new ATOM 0 HD2 LYS A 810 4.739 6.268 -10.369 1.00 63.23 H new ATOM 0 HD3 LYS A 810 3.822 7.599 -11.045 1.00 63.23 H new ATOM 0 HE2 LYS A 810 1.942 6.095 -11.587 1.00 4.21 H new ATOM 0 HE3 LYS A 810 2.868 4.696 -11.080 1.00 4.21 H new ATOM 0 HZ1 LYS A 810 1.216 6.114 -9.496 1.00 54.40 H new ATOM 0 HZ2 LYS A 810 2.466 5.109 -8.936 1.00 54.40 H new ATOM 0 HZ3 LYS A 810 2.723 6.781 -9.086 1.00 54.40 H new ATOM 474 N ILE A 811 6.874 7.035 -9.922 1.00 2.35 N ATOM 475 CA ILE A 811 7.564 6.108 -9.041 1.00 71.31 C ATOM 476 C ILE A 811 6.945 4.716 -9.188 1.00 2.10 C ATOM 477 O ILE A 811 5.787 4.507 -8.830 1.00 22.21 O ATOM 478 CB ILE A 811 7.564 6.632 -7.604 1.00 13.31 C ATOM 479 CG1 ILE A 811 8.009 8.095 -7.554 1.00 53.31 C ATOM 480 CG2 ILE A 811 8.415 5.743 -6.695 1.00 60.15 C ATOM 481 CD1 ILE A 811 9.531 8.202 -7.444 1.00 30.14 C ATOM 0 H ILE A 811 6.260 7.697 -9.448 1.00 2.35 H new ATOM 0 HA ILE A 811 8.613 6.023 -9.324 1.00 71.31 H new ATOM 0 HB ILE A 811 6.542 6.593 -7.227 1.00 13.31 H new ATOM 0 HG12 ILE A 811 7.668 8.613 -8.450 1.00 53.31 H new ATOM 0 HG13 ILE A 811 7.544 8.591 -6.703 1.00 53.31 H new ATOM 0 HG21 ILE A 811 8.397 6.138 -5.679 1.00 60.15 H new ATOM 0 HG22 ILE A 811 8.013 4.730 -6.697 1.00 60.15 H new ATOM 0 HG23 ILE A 811 9.442 5.726 -7.060 1.00 60.15 H new ATOM 0 HD11 ILE A 811 9.820 9.252 -7.410 1.00 30.14 H new ATOM 0 HD12 ILE A 811 9.866 7.704 -6.534 1.00 30.14 H new ATOM 0 HD13 ILE A 811 9.993 7.726 -8.309 1.00 30.14 H new ATOM 493 N LEU A 812 7.745 3.801 -9.715 1.00 73.34 N ATOM 494 CA LEU A 812 7.290 2.435 -9.914 1.00 61.10 C ATOM 495 C LEU A 812 7.921 1.532 -8.852 1.00 42.40 C ATOM 496 O LEU A 812 7.227 0.748 -8.207 1.00 24.20 O ATOM 497 CB LEU A 812 7.566 1.982 -11.349 1.00 70.21 C ATOM 498 CG LEU A 812 7.304 3.020 -12.442 1.00 73.44 C ATOM 499 CD1 LEU A 812 8.324 2.893 -13.575 1.00 24.11 C ATOM 500 CD2 LEU A 812 5.865 2.925 -12.954 1.00 51.12 C ATOM 0 H LEU A 812 8.705 3.978 -10.010 1.00 73.34 H new ATOM 0 HA LEU A 812 6.209 2.371 -9.786 1.00 61.10 H new ATOM 0 HB2 LEU A 812 8.608 1.668 -11.416 1.00 70.21 H new ATOM 0 HB3 LEU A 812 6.955 1.104 -11.556 1.00 70.21 H new ATOM 0 HG LEU A 812 7.427 4.012 -12.007 1.00 73.44 H new ATOM 0 HD11 LEU A 812 8.115 3.642 -14.338 1.00 24.11 H new ATOM 0 HD12 LEU A 812 9.328 3.048 -13.180 1.00 24.11 H new ATOM 0 HD13 LEU A 812 8.257 1.898 -14.015 1.00 24.11 H new ATOM 0 HD21 LEU A 812 5.705 3.673 -13.730 1.00 51.12 H new ATOM 0 HD22 LEU A 812 5.690 1.931 -13.367 1.00 51.12 H new ATOM 0 HD23 LEU A 812 5.173 3.102 -12.130 1.00 51.12 H new ATOM 512 N ASN A 813 9.230 1.674 -8.703 1.00 62.42 N ATOM 513 CA ASN A 813 9.963 0.881 -7.730 1.00 73.25 C ATOM 514 C ASN A 813 10.852 1.803 -6.894 1.00 21.44 C ATOM 515 O ASN A 813 11.449 2.740 -7.420 1.00 2.42 O ATOM 516 CB ASN A 813 10.863 -0.145 -8.422 1.00 0.12 C ATOM 517 CG ASN A 813 10.923 -1.448 -7.623 1.00 23.32 C ATOM 518 OD1 ASN A 813 9.936 -1.925 -7.087 1.00 50.24 O ATOM 519 ND2 ASN A 813 12.134 -1.996 -7.572 1.00 60.44 N ATOM 0 H ASN A 813 9.802 2.326 -9.240 1.00 62.42 H new ATOM 0 HA ASN A 813 9.239 0.360 -7.104 1.00 73.25 H new ATOM 0 HB2 ASN A 813 10.487 -0.346 -9.425 1.00 0.12 H new ATOM 0 HB3 ASN A 813 11.867 0.264 -8.534 1.00 0.12 H new ATOM 0 HD21 ASN A 813 12.278 -2.867 -7.062 1.00 60.44 H new ATOM 0 HD22 ASN A 813 12.918 -1.545 -8.043 1.00 60.44 H new ATOM 526 N LYS A 814 10.912 1.503 -5.604 1.00 41.53 N ATOM 527 CA LYS A 814 11.718 2.294 -4.690 1.00 25.55 C ATOM 528 C LYS A 814 12.782 1.398 -4.051 1.00 45.41 C ATOM 529 O LYS A 814 12.599 0.907 -2.939 1.00 22.15 O ATOM 530 CB LYS A 814 10.828 3.011 -3.673 1.00 50.01 C ATOM 531 CG LYS A 814 11.669 3.811 -2.676 1.00 54.42 C ATOM 532 CD LYS A 814 10.954 5.101 -2.267 1.00 72.22 C ATOM 533 CE LYS A 814 9.724 4.797 -1.409 1.00 3.43 C ATOM 534 NZ LYS A 814 10.106 4.665 0.015 1.00 2.31 N ATOM 0 H LYS A 814 10.416 0.724 -5.171 1.00 41.53 H new ATOM 0 HA LYS A 814 12.244 3.082 -5.230 1.00 25.55 H new ATOM 0 HB2 LYS A 814 10.141 3.679 -4.193 1.00 50.01 H new ATOM 0 HB3 LYS A 814 10.220 2.281 -3.138 1.00 50.01 H new ATOM 0 HG2 LYS A 814 11.866 3.204 -1.792 1.00 54.42 H new ATOM 0 HG3 LYS A 814 12.635 4.051 -3.120 1.00 54.42 H new ATOM 0 HD2 LYS A 814 11.640 5.741 -1.712 1.00 72.22 H new ATOM 0 HD3 LYS A 814 10.653 5.653 -3.158 1.00 72.22 H new ATOM 0 HE2 LYS A 814 8.988 5.593 -1.522 1.00 3.43 H new ATOM 0 HE3 LYS A 814 9.252 3.876 -1.752 1.00 3.43 H new ATOM 0 HZ1 LYS A 814 10.047 3.666 0.299 1.00 2.31 H new ATOM 0 HZ2 LYS A 814 11.080 5.005 0.146 1.00 2.31 H new ATOM 0 HZ3 LYS A 814 9.460 5.231 0.602 1.00 2.31 H new ATOM 547 N LYS A 815 13.871 1.214 -4.783 1.00 24.31 N ATOM 548 CA LYS A 815 14.965 0.386 -4.302 1.00 52.31 C ATOM 549 C LYS A 815 15.577 1.031 -3.057 1.00 43.11 C ATOM 550 O LYS A 815 16.476 1.865 -3.164 1.00 34.45 O ATOM 551 CB LYS A 815 15.975 0.130 -5.422 1.00 62.21 C ATOM 552 CG LYS A 815 15.564 -1.079 -6.265 1.00 51.13 C ATOM 553 CD LYS A 815 15.512 -2.349 -5.414 1.00 33.11 C ATOM 554 CE LYS A 815 16.672 -2.389 -4.417 1.00 72.12 C ATOM 555 NZ LYS A 815 17.967 -2.279 -5.125 1.00 0.32 N ATOM 0 H LYS A 815 14.020 1.624 -5.705 1.00 24.31 H new ATOM 0 HA LYS A 815 14.598 -0.596 -4.005 1.00 52.31 H new ATOM 0 HB2 LYS A 815 16.050 1.012 -6.058 1.00 62.21 H new ATOM 0 HB3 LYS A 815 16.963 -0.040 -4.994 1.00 62.21 H new ATOM 0 HG2 LYS A 815 14.588 -0.898 -6.715 1.00 51.13 H new ATOM 0 HG3 LYS A 815 16.272 -1.214 -7.083 1.00 51.13 H new ATOM 0 HD2 LYS A 815 14.565 -2.393 -4.877 1.00 33.11 H new ATOM 0 HD3 LYS A 815 15.553 -3.226 -6.060 1.00 33.11 H new ATOM 0 HE2 LYS A 815 16.572 -1.574 -3.701 1.00 72.12 H new ATOM 0 HE3 LYS A 815 16.639 -3.319 -3.849 1.00 72.12 H new ATOM 0 HZ1 LYS A 815 18.573 -3.084 -4.868 1.00 0.32 H new ATOM 0 HZ2 LYS A 815 17.803 -2.284 -6.152 1.00 0.32 H new ATOM 0 HZ3 LYS A 815 18.437 -1.392 -4.854 1.00 0.32 H new ATOM 568 N GLY A 816 15.067 0.621 -1.905 1.00 73.14 N ATOM 569 CA GLY A 816 15.552 1.148 -0.641 1.00 43.25 C ATOM 570 C GLY A 816 15.316 2.657 -0.550 1.00 1.12 C ATOM 571 O GLY A 816 14.907 3.285 -1.525 1.00 10.30 O ATOM 0 H GLY A 816 14.322 -0.071 -1.821 1.00 73.14 H new ATOM 0 HA2 GLY A 816 15.046 0.647 0.184 1.00 43.25 H new ATOM 0 HA3 GLY A 816 16.616 0.936 -0.539 1.00 43.25 H new ATOM 575 N GLN A 817 15.584 3.195 0.631 1.00 51.10 N ATOM 576 CA GLN A 817 15.406 4.618 0.863 1.00 54.43 C ATOM 577 C GLN A 817 16.537 5.409 0.202 1.00 14.52 C ATOM 578 O GLN A 817 16.385 6.597 -0.082 1.00 32.51 O ATOM 579 CB GLN A 817 15.324 4.924 2.360 1.00 41.25 C ATOM 580 CG GLN A 817 14.469 6.166 2.620 1.00 43.34 C ATOM 581 CD GLN A 817 12.980 5.845 2.481 1.00 53.51 C ATOM 582 OE1 GLN A 817 12.535 5.241 1.519 1.00 44.35 O ATOM 583 NE2 GLN A 817 12.236 6.282 3.493 1.00 13.21 N ATOM 0 H GLN A 817 15.923 2.671 1.437 1.00 51.10 H new ATOM 0 HA GLN A 817 14.463 4.925 0.411 1.00 54.43 H new ATOM 0 HB2 GLN A 817 14.900 4.069 2.887 1.00 41.25 H new ATOM 0 HB3 GLN A 817 16.327 5.078 2.759 1.00 41.25 H new ATOM 0 HG2 GLN A 817 14.671 6.548 3.621 1.00 43.34 H new ATOM 0 HG3 GLN A 817 14.742 6.954 1.918 1.00 43.34 H new ATOM 0 HE21 GLN A 817 12.672 6.781 4.268 1.00 13.21 H new ATOM 0 HE22 GLN A 817 11.229 6.118 3.494 1.00 13.21 H new ATOM 592 N GLN A 818 17.645 4.720 -0.023 1.00 22.32 N ATOM 593 CA GLN A 818 18.801 5.343 -0.644 1.00 42.05 C ATOM 594 C GLN A 818 19.198 4.581 -1.911 1.00 1.43 C ATOM 595 O GLN A 818 19.048 3.362 -1.979 1.00 12.51 O ATOM 596 CB GLN A 818 19.973 5.426 0.336 1.00 70.53 C ATOM 597 CG GLN A 818 20.513 4.032 0.663 1.00 22.00 C ATOM 598 CD GLN A 818 19.780 3.428 1.862 1.00 22.44 C ATOM 599 OE1 GLN A 818 18.592 3.152 1.822 1.00 3.23 O ATOM 600 NE2 GLN A 818 20.552 3.237 2.928 1.00 2.25 N ATOM 0 H GLN A 818 17.767 3.735 0.214 1.00 22.32 H new ATOM 0 HA GLN A 818 18.533 6.362 -0.925 1.00 42.05 H new ATOM 0 HB2 GLN A 818 20.768 6.037 -0.093 1.00 70.53 H new ATOM 0 HB3 GLN A 818 19.651 5.920 1.253 1.00 70.53 H new ATOM 0 HG2 GLN A 818 20.398 3.381 -0.204 1.00 22.00 H new ATOM 0 HG3 GLN A 818 21.580 4.092 0.877 1.00 22.00 H new ATOM 0 HE21 GLN A 818 21.540 3.490 2.894 1.00 2.25 H new ATOM 0 HE22 GLN A 818 20.157 2.837 3.779 1.00 2.25 H new ATOM 609 N GLY A 819 19.697 5.332 -2.882 1.00 61.51 N ATOM 610 CA GLY A 819 20.117 4.742 -4.142 1.00 52.33 C ATOM 611 C GLY A 819 19.438 5.436 -5.325 1.00 42.31 C ATOM 612 O GLY A 819 19.754 6.582 -5.641 1.00 51.33 O ATOM 0 H GLY A 819 19.820 6.343 -2.822 1.00 61.51 H new ATOM 0 HA2 GLY A 819 21.200 4.821 -4.242 1.00 52.33 H new ATOM 0 HA3 GLY A 819 19.873 3.680 -4.150 1.00 52.33 H new ATOM 616 N TRP A 820 18.519 4.713 -5.946 1.00 75.34 N ATOM 617 CA TRP A 820 17.793 5.245 -7.087 1.00 73.43 C ATOM 618 C TRP A 820 16.347 4.753 -6.999 1.00 15.15 C ATOM 619 O TRP A 820 16.019 3.927 -6.148 1.00 11.31 O ATOM 620 CB TRP A 820 18.476 4.858 -8.400 1.00 70.14 C ATOM 621 CG TRP A 820 18.588 3.348 -8.623 1.00 10.34 C ATOM 622 CD1 TRP A 820 18.084 2.363 -7.866 1.00 40.45 C ATOM 623 CD2 TRP A 820 19.270 2.687 -9.709 1.00 43.42 C ATOM 624 NE1 TRP A 820 18.390 1.121 -8.384 1.00 3.21 N ATOM 625 CE2 TRP A 820 19.135 1.325 -9.540 1.00 75.42 C ATOM 626 CE3 TRP A 820 19.979 3.224 -10.799 1.00 75.40 C ATOM 627 CZ2 TRP A 820 19.680 0.385 -10.422 1.00 64.54 C ATOM 628 CZ3 TRP A 820 20.518 2.271 -11.672 1.00 21.24 C ATOM 629 CH2 TRP A 820 20.390 0.896 -11.515 1.00 64.44 C ATOM 0 H TRP A 820 18.260 3.763 -5.681 1.00 75.34 H new ATOM 0 HA TRP A 820 17.792 6.335 -7.069 1.00 73.43 H new ATOM 0 HB2 TRP A 820 17.921 5.297 -9.229 1.00 70.14 H new ATOM 0 HB3 TRP A 820 19.475 5.293 -8.419 1.00 70.14 H new ATOM 0 HD1 TRP A 820 17.511 2.521 -6.964 1.00 40.45 H new ATOM 0 HE1 TRP A 820 18.119 0.219 -7.991 1.00 3.21 H new ATOM 0 HE3 TRP A 820 20.098 4.287 -10.950 1.00 75.40 H new ATOM 0 HZ2 TRP A 820 19.559 -0.677 -10.268 1.00 64.54 H new ATOM 0 HZ3 TRP A 820 21.072 2.630 -12.527 1.00 21.24 H new ATOM 0 HH2 TRP A 820 20.836 0.224 -12.233 1.00 64.44 H new ATOM 640 N TRP A 821 15.520 5.282 -7.889 1.00 31.32 N ATOM 641 CA TRP A 821 14.116 4.907 -7.922 1.00 3.22 C ATOM 642 C TRP A 821 13.766 4.514 -9.358 1.00 74.41 C ATOM 643 O TRP A 821 14.163 5.190 -10.305 1.00 52.15 O ATOM 644 CB TRP A 821 13.235 6.034 -7.379 1.00 24.14 C ATOM 645 CG TRP A 821 13.400 6.284 -5.878 1.00 74.01 C ATOM 646 CD1 TRP A 821 13.783 5.414 -4.934 1.00 31.12 C ATOM 647 CD2 TRP A 821 13.168 7.528 -5.183 1.00 64.33 C ATOM 648 NE1 TRP A 821 13.816 6.003 -3.686 1.00 54.33 N ATOM 649 CE2 TRP A 821 13.430 7.330 -3.843 1.00 61.40 C ATOM 650 CE3 TRP A 821 12.752 8.779 -5.671 1.00 62.25 C ATOM 651 CZ2 TRP A 821 13.304 8.338 -2.880 1.00 45.11 C ATOM 652 CZ3 TRP A 821 12.631 9.776 -4.696 1.00 44.24 C ATOM 653 CH2 TRP A 821 12.891 9.593 -3.343 1.00 71.23 C ATOM 0 H TRP A 821 15.795 5.967 -8.593 1.00 31.32 H new ATOM 0 HA TRP A 821 13.929 4.052 -7.272 1.00 3.22 H new ATOM 0 HB2 TRP A 821 13.465 6.953 -7.918 1.00 24.14 H new ATOM 0 HB3 TRP A 821 12.191 5.797 -7.585 1.00 24.14 H new ATOM 0 HD1 TRP A 821 14.034 4.381 -5.125 1.00 31.12 H new ATOM 0 HE1 TRP A 821 14.076 5.549 -2.810 1.00 54.33 H new ATOM 0 HE3 TRP A 821 12.542 8.957 -6.715 1.00 62.25 H new ATOM 0 HZ2 TRP A 821 13.514 8.157 -1.836 1.00 45.11 H new ATOM 0 HZ3 TRP A 821 12.313 10.757 -5.018 1.00 44.24 H new ATOM 0 HH2 TRP A 821 12.775 10.415 -2.652 1.00 71.23 H new ATOM 664 N ARG A 822 13.025 3.421 -9.474 1.00 41.23 N ATOM 665 CA ARG A 822 12.616 2.929 -10.779 1.00 43.41 C ATOM 666 C ARG A 822 11.318 3.608 -11.219 1.00 52.43 C ATOM 667 O ARG A 822 10.254 3.342 -10.662 1.00 1.10 O ATOM 668 CB ARG A 822 12.409 1.414 -10.756 1.00 71.22 C ATOM 669 CG ARG A 822 12.731 0.796 -12.118 1.00 62.42 C ATOM 670 CD ARG A 822 11.471 0.672 -12.976 1.00 75.13 C ATOM 671 NE ARG A 822 10.501 -0.235 -12.323 1.00 14.01 N ATOM 672 CZ ARG A 822 10.478 -1.573 -12.499 1.00 72.25 C ATOM 673 NH1 ARG A 822 11.374 -2.172 -13.312 1.00 72.35 N ATOM 674 NH2 ARG A 822 9.566 -2.287 -11.865 1.00 64.15 N ATOM 0 H ARG A 822 12.697 2.863 -8.686 1.00 41.23 H new ATOM 0 HA ARG A 822 13.411 3.165 -11.487 1.00 43.41 H new ATOM 0 HB2 ARG A 822 13.045 0.968 -9.991 1.00 71.22 H new ATOM 0 HB3 ARG A 822 11.378 1.188 -10.485 1.00 71.22 H new ATOM 0 HG2 ARG A 822 13.468 1.410 -12.635 1.00 62.42 H new ATOM 0 HG3 ARG A 822 13.178 -0.188 -11.978 1.00 62.42 H new ATOM 0 HD2 ARG A 822 11.022 1.654 -13.121 1.00 75.13 H new ATOM 0 HD3 ARG A 822 11.730 0.291 -13.964 1.00 75.13 H new ATOM 0 HE ARG A 822 9.806 0.177 -11.701 1.00 14.01 H new ATOM 0 HH11 ARG A 822 12.075 -1.613 -13.798 1.00 72.35 H new ATOM 0 HH12 ARG A 822 11.350 -3.184 -13.440 1.00 72.35 H new ATOM 0 HH21 ARG A 822 8.892 -1.826 -11.253 1.00 64.15 H new ATOM 0 HH22 ARG A 822 9.535 -3.299 -11.987 1.00 64.15 H new ATOM 687 N GLY A 823 11.447 4.472 -12.215 1.00 44.44 N ATOM 688 CA GLY A 823 10.297 5.191 -12.737 1.00 4.53 C ATOM 689 C GLY A 823 10.332 5.247 -14.265 1.00 44.04 C ATOM 690 O GLY A 823 11.211 4.656 -14.892 1.00 35.33 O ATOM 0 H GLY A 823 12.331 4.691 -12.675 1.00 44.44 H new ATOM 0 HA2 GLY A 823 9.379 4.703 -12.408 1.00 4.53 H new ATOM 0 HA3 GLY A 823 10.282 6.203 -12.333 1.00 4.53 H new ATOM 694 N GLU A 824 9.366 5.963 -14.822 1.00 5.01 N ATOM 695 CA GLU A 824 9.276 6.104 -16.265 1.00 73.53 C ATOM 696 C GLU A 824 8.853 7.527 -16.634 1.00 61.15 C ATOM 697 O GLU A 824 8.423 8.293 -15.774 1.00 55.31 O ATOM 698 CB GLU A 824 8.310 5.074 -16.857 1.00 5.33 C ATOM 699 CG GLU A 824 6.868 5.581 -16.802 1.00 33.40 C ATOM 700 CD GLU A 824 5.913 4.470 -16.357 1.00 45.34 C ATOM 701 OE1 GLU A 824 6.009 3.336 -16.850 1.00 42.52 O ATOM 702 OE2 GLU A 824 5.049 4.819 -15.466 1.00 21.04 O ATOM 0 H GLU A 824 8.639 6.452 -14.300 1.00 5.01 H new ATOM 0 HA GLU A 824 10.262 5.917 -16.691 1.00 73.53 H new ATOM 0 HB2 GLU A 824 8.586 4.863 -17.890 1.00 5.33 H new ATOM 0 HB3 GLU A 824 8.391 4.136 -16.307 1.00 5.33 H new ATOM 0 HG2 GLU A 824 6.800 6.422 -16.112 1.00 33.40 H new ATOM 0 HG3 GLU A 824 6.571 5.950 -17.784 1.00 33.40 H new ATOM 710 N ILE A 825 8.991 7.838 -17.915 1.00 71.51 N ATOM 711 CA ILE A 825 8.629 9.155 -18.409 1.00 13.33 C ATOM 712 C ILE A 825 8.337 9.071 -19.908 1.00 74.02 C ATOM 713 O ILE A 825 9.192 8.655 -20.688 1.00 74.43 O ATOM 714 CB ILE A 825 9.709 10.178 -18.049 1.00 72.41 C ATOM 715 CG1 ILE A 825 9.528 10.686 -16.617 1.00 71.42 C ATOM 716 CG2 ILE A 825 9.740 11.322 -19.064 1.00 12.42 C ATOM 717 CD1 ILE A 825 10.247 12.021 -16.414 1.00 63.41 C ATOM 0 H ILE A 825 9.349 7.200 -18.626 1.00 71.51 H new ATOM 0 HA ILE A 825 7.717 9.505 -17.926 1.00 13.33 H new ATOM 0 HB ILE A 825 10.678 9.682 -18.094 1.00 72.41 H new ATOM 0 HG12 ILE A 825 8.466 10.804 -16.401 1.00 71.42 H new ATOM 0 HG13 ILE A 825 9.916 9.949 -15.914 1.00 71.42 H new ATOM 0 HG21 ILE A 825 10.516 12.035 -18.785 1.00 12.42 H new ATOM 0 HG22 ILE A 825 9.953 10.923 -20.056 1.00 12.42 H new ATOM 0 HG23 ILE A 825 8.773 11.824 -19.076 1.00 12.42 H new ATOM 0 HD11 ILE A 825 10.102 12.360 -15.388 1.00 63.41 H new ATOM 0 HD12 ILE A 825 11.312 11.894 -16.607 1.00 63.41 H new ATOM 0 HD13 ILE A 825 9.839 12.762 -17.102 1.00 63.41 H new ATOM 729 N TYR A 826 7.126 9.473 -20.266 1.00 70.12 N ATOM 730 CA TYR A 826 6.710 9.448 -21.658 1.00 64.04 C ATOM 731 C TYR A 826 6.802 8.033 -22.233 1.00 24.12 C ATOM 732 O TYR A 826 6.926 7.858 -23.444 1.00 70.40 O ATOM 733 CB TYR A 826 7.690 10.354 -22.407 1.00 52.10 C ATOM 734 CG TYR A 826 7.858 11.740 -21.781 1.00 24.20 C ATOM 735 CD1 TYR A 826 6.944 12.193 -20.852 1.00 52.43 C ATOM 736 CD2 TYR A 826 8.925 12.536 -22.145 1.00 1.51 C ATOM 737 CE1 TYR A 826 7.102 13.498 -20.263 1.00 64.31 C ATOM 738 CE2 TYR A 826 9.084 13.841 -21.556 1.00 33.23 C ATOM 739 CZ TYR A 826 8.165 14.257 -20.644 1.00 15.01 C ATOM 740 OH TYR A 826 8.314 15.489 -20.087 1.00 64.14 O ATOM 0 H TYR A 826 6.420 9.818 -19.616 1.00 70.12 H new ATOM 0 HA TYR A 826 5.676 9.779 -21.755 1.00 64.04 H new ATOM 0 HB2 TYR A 826 8.663 9.864 -22.448 1.00 52.10 H new ATOM 0 HB3 TYR A 826 7.348 10.470 -23.436 1.00 52.10 H new ATOM 0 HD1 TYR A 826 6.110 11.569 -20.566 1.00 52.43 H new ATOM 0 HD2 TYR A 826 9.641 12.181 -22.871 1.00 1.51 H new ATOM 0 HE1 TYR A 826 6.393 13.865 -19.536 1.00 64.31 H new ATOM 0 HE2 TYR A 826 9.914 14.474 -21.832 1.00 33.23 H new ATOM 0 HH TYR A 826 9.198 15.845 -20.313 1.00 64.14 H new ATOM 750 N GLY A 827 6.739 7.059 -21.336 1.00 55.43 N ATOM 751 CA GLY A 827 6.813 5.665 -21.739 1.00 0.21 C ATOM 752 C GLY A 827 8.261 5.172 -21.742 1.00 44.12 C ATOM 753 O GLY A 827 8.548 4.081 -22.233 1.00 4.23 O ATOM 0 H GLY A 827 6.638 7.208 -20.332 1.00 55.43 H new ATOM 0 HA2 GLY A 827 6.218 5.054 -21.060 1.00 0.21 H new ATOM 0 HA3 GLY A 827 6.383 5.547 -22.733 1.00 0.21 H new ATOM 757 N ARG A 828 9.136 6.000 -21.189 1.00 71.42 N ATOM 758 CA ARG A 828 10.547 5.661 -21.122 1.00 45.42 C ATOM 759 C ARG A 828 10.900 5.130 -19.732 1.00 25.34 C ATOM 760 O ARG A 828 10.882 5.877 -18.755 1.00 25.44 O ATOM 761 CB ARG A 828 11.421 6.879 -21.432 1.00 32.21 C ATOM 762 CG ARG A 828 11.141 7.410 -22.839 1.00 43.23 C ATOM 763 CD ARG A 828 12.290 8.293 -23.330 1.00 43.40 C ATOM 764 NE ARG A 828 11.999 8.792 -24.693 1.00 11.24 N ATOM 765 CZ ARG A 828 12.253 8.099 -25.823 1.00 32.02 C ATOM 766 NH1 ARG A 828 12.807 6.869 -25.762 1.00 55.35 N ATOM 767 NH2 ARG A 828 11.952 8.642 -26.988 1.00 33.32 N ATOM 0 H ARG A 828 8.895 6.904 -20.784 1.00 71.42 H new ATOM 0 HA ARG A 828 10.739 4.890 -21.869 1.00 45.42 H new ATOM 0 HB2 ARG A 828 11.232 7.663 -20.699 1.00 32.21 H new ATOM 0 HB3 ARG A 828 12.473 6.608 -21.344 1.00 32.21 H new ATOM 0 HG2 ARG A 828 11.000 6.575 -23.525 1.00 43.23 H new ATOM 0 HG3 ARG A 828 10.213 7.982 -22.838 1.00 43.23 H new ATOM 0 HD2 ARG A 828 12.431 9.132 -22.649 1.00 43.40 H new ATOM 0 HD3 ARG A 828 13.220 7.725 -23.333 1.00 43.40 H new ATOM 0 HE ARG A 828 11.580 9.718 -24.784 1.00 11.24 H new ATOM 0 HH11 ARG A 828 13.037 6.457 -24.857 1.00 55.35 H new ATOM 0 HH12 ARG A 828 12.996 6.352 -26.620 1.00 55.35 H new ATOM 0 HH21 ARG A 828 11.534 9.572 -27.025 1.00 33.32 H new ATOM 0 HH22 ARG A 828 12.137 8.132 -27.852 1.00 33.32 H new ATOM 780 N ILE A 829 11.213 3.843 -19.687 1.00 22.01 N ATOM 781 CA ILE A 829 11.570 3.203 -18.432 1.00 71.33 C ATOM 782 C ILE A 829 13.083 3.299 -18.228 1.00 21.33 C ATOM 783 O ILE A 829 13.837 3.420 -19.192 1.00 70.00 O ATOM 784 CB ILE A 829 11.033 1.770 -18.390 1.00 43.42 C ATOM 785 CG1 ILE A 829 9.540 1.734 -18.721 1.00 51.50 C ATOM 786 CG2 ILE A 829 11.338 1.110 -17.044 1.00 43.02 C ATOM 787 CD1 ILE A 829 8.696 2.034 -17.480 1.00 61.13 C ATOM 0 H ILE A 829 11.227 3.226 -20.499 1.00 22.01 H new ATOM 0 HA ILE A 829 11.102 3.719 -17.594 1.00 71.33 H new ATOM 0 HB ILE A 829 11.546 1.190 -19.157 1.00 43.42 H new ATOM 0 HG12 ILE A 829 9.319 2.463 -19.501 1.00 51.50 H new ATOM 0 HG13 ILE A 829 9.275 0.754 -19.117 1.00 51.50 H new ATOM 0 HG21 ILE A 829 10.946 0.093 -17.040 1.00 43.02 H new ATOM 0 HG22 ILE A 829 12.416 1.084 -16.888 1.00 43.02 H new ATOM 0 HG23 ILE A 829 10.869 1.682 -16.244 1.00 43.02 H new ATOM 0 HD11 ILE A 829 7.639 2.002 -17.743 1.00 61.13 H new ATOM 0 HD12 ILE A 829 8.902 1.289 -16.711 1.00 61.13 H new ATOM 0 HD13 ILE A 829 8.946 3.025 -17.101 1.00 61.13 H new ATOM 799 N GLY A 830 13.482 3.241 -16.966 1.00 23.03 N ATOM 800 CA GLY A 830 14.892 3.320 -16.622 1.00 70.03 C ATOM 801 C GLY A 830 15.079 3.512 -15.116 1.00 25.10 C ATOM 802 O GLY A 830 14.175 3.225 -14.333 1.00 4.02 O ATOM 0 H GLY A 830 12.854 3.140 -16.169 1.00 23.03 H new ATOM 0 HA2 GLY A 830 15.400 2.410 -16.942 1.00 70.03 H new ATOM 0 HA3 GLY A 830 15.355 4.149 -17.158 1.00 70.03 H new ATOM 806 N TRP A 831 16.259 3.996 -14.756 1.00 20.23 N ATOM 807 CA TRP A 831 16.577 4.229 -13.357 1.00 53.42 C ATOM 808 C TRP A 831 17.086 5.666 -13.221 1.00 72.25 C ATOM 809 O TRP A 831 17.714 6.195 -14.137 1.00 71.33 O ATOM 810 CB TRP A 831 17.574 3.190 -12.841 1.00 12.45 C ATOM 811 CG TRP A 831 17.055 1.752 -12.889 1.00 61.13 C ATOM 812 CD1 TRP A 831 16.923 0.958 -13.961 1.00 15.50 C ATOM 813 CD2 TRP A 831 16.602 0.963 -11.769 1.00 21.21 C ATOM 814 NE1 TRP A 831 16.419 -0.279 -13.615 1.00 22.10 N ATOM 815 CE2 TRP A 831 16.218 -0.276 -12.240 1.00 23.34 C ATOM 816 CE3 TRP A 831 16.520 1.286 -10.403 1.00 35.50 C ATOM 817 CZ2 TRP A 831 15.725 -1.292 -11.412 1.00 5.15 C ATOM 818 CZ3 TRP A 831 16.025 0.260 -9.589 1.00 31.34 C ATOM 819 CH2 TRP A 831 15.634 -0.993 -10.047 1.00 22.01 C ATOM 0 H TRP A 831 17.006 4.233 -15.409 1.00 20.23 H new ATOM 0 HA TRP A 831 15.689 4.114 -12.735 1.00 53.42 H new ATOM 0 HB2 TRP A 831 18.489 3.255 -13.430 1.00 12.45 H new ATOM 0 HB3 TRP A 831 17.839 3.435 -11.813 1.00 12.45 H new ATOM 0 HD1 TRP A 831 17.179 1.250 -14.969 1.00 15.50 H new ATOM 0 HE1 TRP A 831 16.229 -1.053 -14.251 1.00 22.10 H new ATOM 0 HE3 TRP A 831 16.815 2.249 -10.013 1.00 35.50 H new ATOM 0 HZ2 TRP A 831 15.431 -2.254 -11.805 1.00 5.15 H new ATOM 0 HZ3 TRP A 831 15.941 0.456 -8.530 1.00 31.34 H new ATOM 0 HH2 TRP A 831 15.262 -1.732 -9.353 1.00 22.01 H new ATOM 830 N PHE A 832 16.796 6.256 -12.071 1.00 52.34 N ATOM 831 CA PHE A 832 17.216 7.621 -11.804 1.00 3.20 C ATOM 832 C PHE A 832 17.451 7.840 -10.308 1.00 20.51 C ATOM 833 O PHE A 832 16.824 7.186 -9.476 1.00 20.13 O ATOM 834 CB PHE A 832 16.083 8.538 -12.269 1.00 61.34 C ATOM 835 CG PHE A 832 14.818 8.447 -11.413 1.00 42.23 C ATOM 836 CD1 PHE A 832 13.950 7.416 -11.590 1.00 74.24 C ATOM 837 CD2 PHE A 832 14.563 9.398 -10.475 1.00 55.23 C ATOM 838 CE1 PHE A 832 12.776 7.332 -10.796 1.00 33.11 C ATOM 839 CE2 PHE A 832 13.389 9.314 -9.681 1.00 15.31 C ATOM 840 CZ PHE A 832 12.520 8.283 -9.858 1.00 31.20 C ATOM 0 H PHE A 832 16.275 5.814 -11.314 1.00 52.34 H new ATOM 0 HA PHE A 832 18.149 7.831 -12.326 1.00 3.20 H new ATOM 0 HB2 PHE A 832 16.439 9.568 -12.265 1.00 61.34 H new ATOM 0 HB3 PHE A 832 15.830 8.292 -13.300 1.00 61.34 H new ATOM 0 HD1 PHE A 832 14.153 6.661 -12.335 1.00 74.24 H new ATOM 0 HD2 PHE A 832 15.253 10.217 -10.334 1.00 55.23 H new ATOM 0 HE1 PHE A 832 12.086 6.513 -10.937 1.00 33.11 H new ATOM 0 HE2 PHE A 832 13.186 10.069 -8.936 1.00 15.31 H new ATOM 0 HZ PHE A 832 11.627 8.219 -9.254 1.00 31.20 H new ATOM 850 N PRO A 833 18.380 8.785 -10.004 1.00 13.32 N ATOM 851 CA PRO A 833 18.705 9.098 -8.623 1.00 0.04 C ATOM 852 C PRO A 833 17.596 9.928 -7.973 1.00 3.14 C ATOM 853 O PRO A 833 16.930 10.715 -8.644 1.00 30.42 O ATOM 854 CB PRO A 833 20.035 9.831 -8.688 1.00 21.31 C ATOM 855 CG PRO A 833 20.177 10.310 -10.123 1.00 61.35 C ATOM 856 CD PRO A 833 19.142 9.579 -10.963 1.00 50.21 C ATOM 0 HA PRO A 833 18.786 8.209 -7.998 1.00 0.04 H new ATOM 0 HB2 PRO A 833 20.053 10.670 -7.993 1.00 21.31 H new ATOM 0 HB3 PRO A 833 20.858 9.172 -8.413 1.00 21.31 H new ATOM 0 HG2 PRO A 833 20.025 11.388 -10.183 1.00 61.35 H new ATOM 0 HG3 PRO A 833 21.182 10.109 -10.495 1.00 61.35 H new ATOM 0 HD2 PRO A 833 18.499 10.279 -11.497 1.00 50.21 H new ATOM 0 HD3 PRO A 833 19.616 8.946 -11.713 1.00 50.21 H new ATOM 864 N SER A 834 17.433 9.725 -6.674 1.00 31.34 N ATOM 865 CA SER A 834 16.417 10.445 -5.925 1.00 75.33 C ATOM 866 C SER A 834 16.953 11.812 -5.496 1.00 53.05 C ATOM 867 O SER A 834 16.274 12.555 -4.788 1.00 64.44 O ATOM 868 CB SER A 834 15.963 9.645 -4.702 1.00 41.03 C ATOM 869 OG SER A 834 16.857 9.798 -3.603 1.00 50.11 O ATOM 0 H SER A 834 17.988 9.072 -6.121 1.00 31.34 H new ATOM 0 HA SER A 834 15.552 10.588 -6.573 1.00 75.33 H new ATOM 0 HB2 SER A 834 14.966 9.970 -4.406 1.00 41.03 H new ATOM 0 HB3 SER A 834 15.890 8.590 -4.966 1.00 41.03 H new ATOM 0 HG SER A 834 16.532 9.274 -2.841 1.00 50.11 H new ATOM 875 N ASN A 835 18.165 12.103 -5.944 1.00 4.24 N ATOM 876 CA ASN A 835 18.801 13.368 -5.615 1.00 55.11 C ATOM 877 C ASN A 835 18.575 14.359 -6.759 1.00 3.13 C ATOM 878 O ASN A 835 18.835 15.552 -6.611 1.00 52.41 O ATOM 879 CB ASN A 835 20.309 13.195 -5.430 1.00 3.13 C ATOM 880 CG ASN A 835 20.615 12.295 -4.231 1.00 32.20 C ATOM 881 OD1 ASN A 835 20.626 12.722 -3.088 1.00 70.40 O ATOM 882 ND2 ASN A 835 20.861 11.029 -4.554 1.00 65.43 N ATOM 0 H ASN A 835 18.724 11.485 -6.532 1.00 4.24 H new ATOM 0 HA ASN A 835 18.364 13.734 -4.686 1.00 55.11 H new ATOM 0 HB2 ASN A 835 20.743 12.764 -6.333 1.00 3.13 H new ATOM 0 HB3 ASN A 835 20.775 14.170 -5.286 1.00 3.13 H new ATOM 0 HD21 ASN A 835 21.075 10.349 -3.825 1.00 65.43 H new ATOM 0 HD22 ASN A 835 20.836 10.738 -5.531 1.00 65.43 H new ATOM 889 N TYR A 836 18.095 13.828 -7.873 1.00 53.03 N ATOM 890 CA TYR A 836 17.832 14.651 -9.042 1.00 35.04 C ATOM 891 C TYR A 836 16.333 14.710 -9.345 1.00 30.24 C ATOM 892 O TYR A 836 15.935 14.895 -10.494 1.00 22.03 O ATOM 893 CB TYR A 836 18.549 13.969 -10.208 1.00 62.01 C ATOM 894 CG TYR A 836 20.051 14.257 -10.269 1.00 34.32 C ATOM 895 CD1 TYR A 836 20.843 14.025 -9.163 1.00 11.12 C ATOM 896 CD2 TYR A 836 20.613 14.748 -11.430 1.00 13.03 C ATOM 897 CE1 TYR A 836 22.256 14.296 -9.220 1.00 20.00 C ATOM 898 CE2 TYR A 836 22.026 15.019 -11.487 1.00 31.12 C ATOM 899 CZ TYR A 836 22.778 14.780 -10.379 1.00 73.51 C ATOM 900 OH TYR A 836 24.112 15.035 -10.433 1.00 44.41 O ATOM 0 H TYR A 836 17.881 12.838 -7.992 1.00 53.03 H new ATOM 0 HA TYR A 836 18.178 15.672 -8.878 1.00 35.04 H new ATOM 0 HB2 TYR A 836 18.399 12.892 -10.134 1.00 62.01 H new ATOM 0 HB3 TYR A 836 18.089 14.291 -11.142 1.00 62.01 H new ATOM 0 HD1 TYR A 836 20.403 13.640 -8.255 1.00 11.12 H new ATOM 0 HD2 TYR A 836 19.993 14.929 -12.296 1.00 13.03 H new ATOM 0 HE1 TYR A 836 22.887 14.119 -8.362 1.00 20.00 H new ATOM 0 HE2 TYR A 836 22.479 15.403 -12.389 1.00 31.12 H new ATOM 0 HH TYR A 836 24.344 15.375 -11.322 1.00 44.41 H new ATOM 910 N VAL A 837 15.542 14.549 -8.294 1.00 25.34 N ATOM 911 CA VAL A 837 14.096 14.581 -8.433 1.00 5.22 C ATOM 912 C VAL A 837 13.470 15.007 -7.103 1.00 71.15 C ATOM 913 O VAL A 837 14.124 14.963 -6.063 1.00 10.23 O ATOM 914 CB VAL A 837 13.588 13.225 -8.926 1.00 53.35 C ATOM 915 CG1 VAL A 837 14.236 12.849 -10.260 1.00 55.35 C ATOM 916 CG2 VAL A 837 13.822 12.137 -7.877 1.00 75.20 C ATOM 0 H VAL A 837 15.875 14.396 -7.342 1.00 25.34 H new ATOM 0 HA VAL A 837 13.800 15.316 -9.182 1.00 5.22 H new ATOM 0 HB VAL A 837 12.513 13.309 -9.087 1.00 53.35 H new ATOM 0 HG11 VAL A 837 13.858 11.881 -10.588 1.00 55.35 H new ATOM 0 HG12 VAL A 837 13.995 13.605 -11.007 1.00 55.35 H new ATOM 0 HG13 VAL A 837 15.317 12.793 -10.136 1.00 55.35 H new ATOM 0 HG21 VAL A 837 13.452 11.183 -8.253 1.00 75.20 H new ATOM 0 HG22 VAL A 837 14.889 12.055 -7.669 1.00 75.20 H new ATOM 0 HG23 VAL A 837 13.292 12.396 -6.960 1.00 75.20 H new ATOM 926 N GLU A 838 12.210 15.409 -7.182 1.00 10.13 N ATOM 927 CA GLU A 838 11.488 15.842 -5.998 1.00 12.45 C ATOM 928 C GLU A 838 10.086 15.231 -5.977 1.00 74.45 C ATOM 929 O GLU A 838 9.318 15.398 -6.924 1.00 13.33 O ATOM 930 CB GLU A 838 11.421 17.369 -5.924 1.00 50.11 C ATOM 931 CG GLU A 838 12.824 17.980 -5.920 1.00 72.23 C ATOM 932 CD GLU A 838 13.600 17.563 -4.669 1.00 71.03 C ATOM 933 OE1 GLU A 838 14.672 16.949 -4.780 1.00 55.25 O ATOM 934 OE2 GLU A 838 13.053 17.900 -3.551 1.00 34.22 O ATOM 0 H GLU A 838 11.671 15.444 -8.047 1.00 10.13 H new ATOM 0 HA GLU A 838 12.029 15.491 -5.119 1.00 12.45 H new ATOM 0 HB2 GLU A 838 10.856 17.753 -6.773 1.00 50.11 H new ATOM 0 HB3 GLU A 838 10.887 17.670 -5.023 1.00 50.11 H new ATOM 0 HG2 GLU A 838 13.365 17.662 -6.811 1.00 72.23 H new ATOM 0 HG3 GLU A 838 12.751 19.067 -5.962 1.00 72.23 H new ATOM 942 N GLU A 839 9.794 14.534 -4.889 1.00 22.20 N ATOM 943 CA GLU A 839 8.498 13.896 -4.733 1.00 52.13 C ATOM 944 C GLU A 839 7.715 14.556 -3.596 1.00 60.41 C ATOM 945 O GLU A 839 8.305 15.140 -2.689 1.00 22.23 O ATOM 946 CB GLU A 839 8.651 12.393 -4.493 1.00 64.14 C ATOM 947 CG GLU A 839 9.752 12.111 -3.469 1.00 31.24 C ATOM 948 CD GLU A 839 9.425 12.757 -2.121 1.00 13.11 C ATOM 949 OE1 GLU A 839 8.275 12.686 -1.662 1.00 20.41 O ATOM 950 OE2 GLU A 839 10.416 13.349 -1.545 1.00 53.43 O ATOM 0 H GLU A 839 10.433 14.397 -4.106 1.00 22.20 H new ATOM 0 HA GLU A 839 7.937 14.027 -5.658 1.00 52.13 H new ATOM 0 HB2 GLU A 839 7.706 11.979 -4.140 1.00 64.14 H new ATOM 0 HB3 GLU A 839 8.886 11.893 -5.433 1.00 64.14 H new ATOM 0 HG2 GLU A 839 9.868 11.035 -3.342 1.00 31.24 H new ATOM 0 HG3 GLU A 839 10.704 12.493 -3.838 1.00 31.24 H new ATOM 958 N ASP A 840 6.398 14.440 -3.682 1.00 70.02 N ATOM 959 CA ASP A 840 5.528 15.018 -2.672 1.00 23.33 C ATOM 960 C ASP A 840 5.802 16.519 -2.567 1.00 43.32 C ATOM 961 O ASP A 840 6.027 17.038 -1.475 1.00 43.40 O ATOM 962 CB ASP A 840 5.788 14.393 -1.299 1.00 51.24 C ATOM 963 CG ASP A 840 4.721 14.688 -0.243 1.00 23.33 C ATOM 964 OD1 ASP A 840 4.803 14.209 0.898 1.00 30.51 O ATOM 965 OD2 ASP A 840 3.762 15.455 -0.636 1.00 34.12 O ATOM 0 H ASP A 840 5.912 13.954 -4.436 1.00 70.02 H new ATOM 0 HA ASP A 840 4.496 14.827 -2.966 1.00 23.33 H new ATOM 0 HB2 ASP A 840 5.871 13.313 -1.418 1.00 51.24 H new ATOM 0 HB3 ASP A 840 6.750 14.748 -0.931 1.00 51.24 H new ATOM 971 N TYR A 841 5.774 17.175 -3.718 1.00 64.02 N ATOM 972 CA TYR A 841 6.017 18.607 -3.770 1.00 30.30 C ATOM 973 C TYR A 841 4.710 19.377 -3.969 1.00 43.41 C ATOM 974 O TYR A 841 3.852 18.961 -4.746 1.00 1.23 O ATOM 975 CB TYR A 841 6.921 18.838 -4.982 1.00 61.44 C ATOM 976 CG TYR A 841 6.419 18.177 -6.268 1.00 13.41 C ATOM 977 CD1 TYR A 841 5.505 18.832 -7.068 1.00 52.45 C ATOM 978 CD2 TYR A 841 6.879 16.927 -6.627 1.00 43.12 C ATOM 979 CE1 TYR A 841 5.032 18.211 -8.278 1.00 51.14 C ATOM 980 CE2 TYR A 841 6.406 16.306 -7.837 1.00 64.21 C ATOM 981 CZ TYR A 841 5.506 16.978 -8.603 1.00 41.40 C ATOM 982 OH TYR A 841 5.060 16.392 -9.746 1.00 35.32 O ATOM 0 H TYR A 841 5.587 16.741 -4.622 1.00 64.02 H new ATOM 0 HA TYR A 841 6.468 18.954 -2.840 1.00 30.30 H new ATOM 0 HB2 TYR A 841 7.018 19.910 -5.151 1.00 61.44 H new ATOM 0 HB3 TYR A 841 7.918 18.459 -4.756 1.00 61.44 H new ATOM 0 HD1 TYR A 841 5.144 19.810 -6.787 1.00 52.45 H new ATOM 0 HD2 TYR A 841 7.594 16.414 -6.001 1.00 43.12 H new ATOM 0 HE1 TYR A 841 4.317 18.713 -8.913 1.00 51.14 H new ATOM 0 HE2 TYR A 841 6.758 15.328 -8.130 1.00 64.21 H new ATOM 0 HH TYR A 841 4.838 17.084 -10.403 1.00 35.32 H new ATOM 992 N SER A 842 4.600 20.487 -3.254 1.00 4.30 N ATOM 993 CA SER A 842 3.413 21.320 -3.342 1.00 71.03 C ATOM 994 C SER A 842 3.181 21.749 -4.792 1.00 45.35 C ATOM 995 O SER A 842 3.903 21.322 -5.693 1.00 14.13 O ATOM 996 CB SER A 842 3.533 22.548 -2.438 1.00 11.11 C ATOM 997 OG SER A 842 4.411 23.529 -2.983 1.00 64.21 O ATOM 0 H SER A 842 5.314 20.829 -2.611 1.00 4.30 H new ATOM 0 HA SER A 842 2.559 20.735 -3.002 1.00 71.03 H new ATOM 0 HB2 SER A 842 2.546 22.987 -2.290 1.00 11.11 H new ATOM 0 HB3 SER A 842 3.896 22.242 -1.457 1.00 11.11 H new ATOM 0 HG SER A 842 4.459 24.298 -2.377 1.00 64.21 H new ATOM 1003 N GLU A 843 2.173 22.589 -4.974 1.00 33.14 N ATOM 1004 CA GLU A 843 1.837 23.081 -6.299 1.00 61.31 C ATOM 1005 C GLU A 843 1.676 24.602 -6.276 1.00 3.13 C ATOM 1006 O GLU A 843 1.348 25.179 -5.240 1.00 53.24 O ATOM 1007 CB GLU A 843 0.572 22.404 -6.831 1.00 64.12 C ATOM 1008 CG GLU A 843 0.834 20.932 -7.158 1.00 43.45 C ATOM 1009 CD GLU A 843 -0.473 20.196 -7.458 1.00 12.22 C ATOM 1010 OE1 GLU A 843 -1.215 20.596 -8.367 1.00 74.22 O ATOM 1011 OE2 GLU A 843 -0.707 19.173 -6.707 1.00 51.43 O ATOM 0 H GLU A 843 1.577 22.942 -4.225 1.00 33.14 H new ATOM 0 HA GLU A 843 2.655 22.832 -6.975 1.00 61.31 H new ATOM 0 HB2 GLU A 843 -0.224 22.480 -6.090 1.00 64.12 H new ATOM 0 HB3 GLU A 843 0.226 22.923 -7.725 1.00 64.12 H new ATOM 0 HG2 GLU A 843 1.502 20.860 -8.017 1.00 43.45 H new ATOM 0 HG3 GLU A 843 1.340 20.454 -6.319 1.00 43.45 H new ATOM 1019 N TYR A 844 1.915 25.208 -7.429 1.00 44.23 N ATOM 1020 CA TYR A 844 1.801 26.651 -7.554 1.00 42.43 C ATOM 1021 C TYR A 844 2.877 27.360 -6.729 1.00 1.02 C ATOM 1022 O TYR A 844 2.629 28.421 -6.159 1.00 54.51 O ATOM 1023 CB TYR A 844 0.424 27.015 -6.995 1.00 43.34 C ATOM 1024 CG TYR A 844 -0.187 28.272 -7.617 1.00 52.42 C ATOM 1025 CD1 TYR A 844 0.632 29.251 -8.143 1.00 21.04 C ATOM 1026 CD2 TYR A 844 -1.558 28.428 -7.653 1.00 30.12 C ATOM 1027 CE1 TYR A 844 0.057 30.434 -8.728 1.00 13.11 C ATOM 1028 CE2 TYR A 844 -2.133 29.611 -8.238 1.00 55.10 C ATOM 1029 CZ TYR A 844 -1.298 30.556 -8.747 1.00 22.23 C ATOM 1030 OH TYR A 844 -1.841 31.673 -9.299 1.00 53.25 O ATOM 0 H TYR A 844 2.187 24.726 -8.286 1.00 44.23 H new ATOM 0 HA TYR A 844 1.925 26.957 -8.593 1.00 42.43 H new ATOM 0 HB2 TYR A 844 -0.254 26.177 -7.154 1.00 43.34 H new ATOM 0 HB3 TYR A 844 0.507 27.158 -5.918 1.00 43.34 H new ATOM 0 HD1 TYR A 844 1.705 29.129 -8.116 1.00 21.04 H new ATOM 0 HD2 TYR A 844 -2.199 27.662 -7.242 1.00 30.12 H new ATOM 0 HE1 TYR A 844 0.687 31.207 -9.142 1.00 13.11 H new ATOM 0 HE2 TYR A 844 -3.204 29.745 -8.272 1.00 55.10 H new ATOM 0 HH TYR A 844 -2.818 31.623 -9.244 1.00 53.25 H new ATOM 1040 N LEU A 845 4.050 26.744 -6.691 1.00 14.43 N ATOM 1041 CA LEU A 845 5.164 27.303 -5.944 1.00 43.05 C ATOM 1042 C LEU A 845 5.224 28.814 -6.180 1.00 64.54 C ATOM 1043 O LEU A 845 4.628 29.322 -7.129 1.00 22.43 O ATOM 1044 CB LEU A 845 6.463 26.574 -6.295 1.00 32.31 C ATOM 1045 CG LEU A 845 6.747 25.294 -5.506 1.00 22.10 C ATOM 1046 CD1 LEU A 845 6.467 24.053 -6.355 1.00 75.31 C ATOM 1047 CD2 LEU A 845 8.173 25.298 -4.950 1.00 73.22 C ATOM 0 H LEU A 845 4.253 25.864 -7.165 1.00 14.43 H new ATOM 0 HA LEU A 845 5.019 27.153 -4.874 1.00 43.05 H new ATOM 0 HB2 LEU A 845 6.442 26.326 -7.356 1.00 32.31 H new ATOM 0 HB3 LEU A 845 7.295 27.262 -6.145 1.00 32.31 H new ATOM 0 HG LEU A 845 6.069 25.261 -4.654 1.00 22.10 H new ATOM 0 HD11 LEU A 845 6.677 23.157 -5.770 1.00 75.31 H new ATOM 0 HD12 LEU A 845 5.421 24.050 -6.661 1.00 75.31 H new ATOM 0 HD13 LEU A 845 7.104 24.066 -7.240 1.00 75.31 H new ATOM 0 HD21 LEU A 845 8.349 24.377 -4.394 1.00 73.22 H new ATOM 0 HD22 LEU A 845 8.884 25.366 -5.773 1.00 73.22 H new ATOM 0 HD23 LEU A 845 8.303 26.153 -4.287 1.00 73.22 H new ATOM 1059 N PRO A 846 5.969 29.507 -5.278 1.00 31.01 N ATOM 1060 CA PRO A 846 6.115 30.949 -5.379 1.00 13.15 C ATOM 1061 C PRO A 846 7.073 31.326 -6.510 1.00 72.24 C ATOM 1062 O PRO A 846 7.744 30.462 -7.074 1.00 13.42 O ATOM 1063 CB PRO A 846 6.608 31.391 -4.011 1.00 4.04 C ATOM 1064 CG PRO A 846 7.163 30.142 -3.344 1.00 41.43 C ATOM 1065 CD PRO A 846 6.689 28.939 -4.142 1.00 60.31 C ATOM 0 HA PRO A 846 5.180 31.449 -5.632 1.00 13.15 H new ATOM 0 HB2 PRO A 846 7.376 32.159 -4.102 1.00 4.04 H new ATOM 0 HB3 PRO A 846 5.796 31.820 -3.423 1.00 4.04 H new ATOM 0 HG2 PRO A 846 8.252 30.176 -3.315 1.00 41.43 H new ATOM 0 HG3 PRO A 846 6.819 30.075 -2.312 1.00 41.43 H new ATOM 0 HD2 PRO A 846 7.529 28.327 -4.471 1.00 60.31 H new ATOM 0 HD3 PRO A 846 6.042 28.297 -3.544 1.00 60.31 H new ATOM 1073 N GLU A 847 7.106 32.616 -6.809 1.00 43.15 N ATOM 1074 CA GLU A 847 7.971 33.118 -7.864 1.00 22.32 C ATOM 1075 C GLU A 847 8.392 34.558 -7.565 1.00 55.23 C ATOM 1076 O GLU A 847 7.773 35.231 -6.743 1.00 15.34 O ATOM 1077 CB GLU A 847 7.287 33.018 -9.228 1.00 73.04 C ATOM 1078 CG GLU A 847 7.284 31.575 -9.736 1.00 60.24 C ATOM 1079 CD GLU A 847 6.062 30.813 -9.218 1.00 4.21 C ATOM 1080 OE1 GLU A 847 5.061 31.436 -8.835 1.00 33.42 O ATOM 1081 OE2 GLU A 847 6.178 29.528 -9.222 1.00 45.55 O ATOM 0 H GLU A 847 6.548 33.329 -6.339 1.00 43.15 H new ATOM 0 HA GLU A 847 8.867 32.498 -7.898 1.00 22.32 H new ATOM 0 HB2 GLU A 847 6.263 33.383 -9.153 1.00 73.04 H new ATOM 0 HB3 GLU A 847 7.801 33.658 -9.944 1.00 73.04 H new ATOM 0 HG2 GLU A 847 7.285 31.570 -10.826 1.00 60.24 H new ATOM 0 HG3 GLU A 847 8.195 31.070 -9.414 1.00 60.24 H new ATOM 1089 N THR A 848 9.441 34.989 -8.250 1.00 72.20 N ATOM 1090 CA THR A 848 9.951 36.337 -8.068 1.00 41.14 C ATOM 1091 C THR A 848 9.116 37.336 -8.871 1.00 55.13 C ATOM 1092 O THR A 848 8.233 36.943 -9.633 1.00 25.51 O ATOM 1093 CB THR A 848 11.432 36.338 -8.451 1.00 63.33 C ATOM 1094 OG1 THR A 848 11.947 37.521 -7.847 1.00 54.43 O ATOM 1095 CG2 THR A 848 11.650 36.559 -9.950 1.00 12.15 C ATOM 0 H THR A 848 9.952 34.428 -8.932 1.00 72.20 H new ATOM 0 HA THR A 848 9.869 36.654 -7.028 1.00 41.14 H new ATOM 0 HB THR A 848 11.883 35.391 -8.155 1.00 63.33 H new ATOM 0 HG1 THR A 848 12.904 37.599 -8.044 1.00 54.43 H new ATOM 0 HG21 THR A 848 12.718 36.551 -10.167 1.00 12.15 H new ATOM 0 HG22 THR A 848 11.159 35.763 -10.510 1.00 12.15 H new ATOM 0 HG23 THR A 848 11.228 37.521 -10.241 1.00 12.15 H new TER 1103 THR A 848